@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1835 @attribute molecule_id {CHEMBL10,CHEMBL100349,CHEMBL100755,CHEMBL101098,CHEMBL101542,CHEMBL1016,CHEMBL101785,CHEMBL101812,CHEMBL101813,CHEMBL101841,CHEMBL101870,CHEMBL102200,CHEMBL102360,CHEMBL102533,CHEMBL102692,CHEMBL103580,CHEMBL104,CHEMBL105139,CHEMBL105386,CHEMBL105587,CHEMBL105856,CHEMBL1087267,CHEMBL113753,CHEMBL114,CHEMBL114063,CHEMBL114251,CHEMBL114424,CHEMBL114456,CHEMBL114672,CHEMBL114723,CHEMBL114751,CHEMBL114843,CHEMBL115,CHEMBL115387,CHEMBL115420,CHEMBL115636,CHEMBL115805,CHEMBL115806,CHEMBL115844,CHEMBL115899,CHEMBL1159655,CHEMBL116,CHEMBL116196,CHEMBL11662,CHEMBL116673,CHEMBL116704,CHEMBL116794,CHEMBL116869,CHEMBL116970,CHEMBL116975,CHEMBL116980,CHEMBL117018,CHEMBL117224,CHEMBL117233,CHEMBL117294,CHEMBL117373,CHEMBL117459,CHEMBL117512,CHEMBL117538,CHEMBL117561,CHEMBL117652,CHEMBL117752,CHEMBL117816,CHEMBL117851,CHEMBL117889,CHEMBL118008,CHEMBL118084,CHEMBL11811,CHEMBL118462,CHEMBL118944,CHEMBL119035,CHEMBL119670,CHEMBL119841,CHEMBL12020,CHEMBL1202293,CHEMBL1202755,CHEMBL1202756,CHEMBL1202757,CHEMBL1202758,CHEMBL1202763,CHEMBL1203626,CHEMBL1203649,CHEMBL1203652,CHEMBL1203653,CHEMBL1203654,CHEMBL1203655,CHEMBL1203662,CHEMBL1203671,CHEMBL1203674,CHEMBL1203682,CHEMBL1203686,CHEMBL1203687,CHEMBL1204213,CHEMBL1204214,CHEMBL1204215,CHEMBL1204216,CHEMBL1204218,CHEMBL1204223,CHEMBL1204224,CHEMBL121,CHEMBL12131,CHEMBL1221,CHEMBL12340,CHEMBL125519,CHEMBL126185,CHEMBL126196,CHEMBL1262,CHEMBL126333,CHEMBL126334,CHEMBL126337,CHEMBL126373,CHEMBL126494,CHEMBL126577,CHEMBL126654,CHEMBL126761,CHEMBL127008,CHEMBL127017,CHEMBL127212,CHEMBL127357,CHEMBL127380,CHEMBL127681,CHEMBL127682,CHEMBL127683,CHEMBL127738,CHEMBL128022,CHEMBL128104,CHEMBL128188,CHEMBL128678,CHEMBL128973,CHEMBL129000,CHEMBL129030,CHEMBL129355,CHEMBL129365,CHEMBL129635,CHEMBL129734,CHEMBL129843,CHEMBL129867,CHEMBL129935,CHEMBL129995,CHEMBL130236,CHEMBL130341,CHEMBL130365,CHEMBL130453,CHEMBL130470,CHEMBL130564,CHEMBL130623,CHEMBL130755,CHEMBL130785,CHEMBL130790,CHEMBL130823,CHEMBL131078,CHEMBL131088,CHEMBL131334,CHEMBL131415,CHEMBL131949,CHEMBL132043,CHEMBL132385,CHEMBL134365,CHEMBL134580,CHEMBL134686,CHEMBL136130,CHEMBL136149,CHEMBL136220,CHEMBL136371,CHEMBL136738,CHEMBL136762,CHEMBL136845,CHEMBL136880,CHEMBL136904,CHEMBL136905,CHEMBL136918,CHEMBL136934,CHEMBL136997,CHEMBL137187,CHEMBL137402,CHEMBL137505,CHEMBL138325,CHEMBL138328,CHEMBL1385840,CHEMBL138743,CHEMBL139372,CHEMBL14192,CHEMBL147308,CHEMBL147444,CHEMBL14771,CHEMBL150206,CHEMBL150252,CHEMBL150289,CHEMBL150436,CHEMBL150563,CHEMBL150660,CHEMBL151083,CHEMBL151091,CHEMBL151519,CHEMBL15165,CHEMBL15166,CHEMBL15181,CHEMBL151860,CHEMBL15301,CHEMBL15351,CHEMBL157346,CHEMBL158201,CHEMBL158687,CHEMBL159,CHEMBL159196,CHEMBL159243,CHEMBL159268,CHEMBL159344,CHEMBL159356,CHEMBL159420,CHEMBL159510,CHEMBL159528,CHEMBL159559,CHEMBL159571,CHEMBL159699,CHEMBL159737,CHEMBL159778,CHEMBL159851,CHEMBL159859,CHEMBL159873,CHEMBL159876,CHEMBL160467,CHEMBL160657,CHEMBL160790,CHEMBL161063,CHEMBL161097,CHEMBL161104,CHEMBL161105,CHEMBL161304,CHEMBL161357,CHEMBL161435,CHEMBL161518,CHEMBL161608,CHEMBL161911,CHEMBL162032,CHEMBL162406,CHEMBL163,CHEMBL163278,CHEMBL164123,CHEMBL164665,CHEMBL164758,CHEMBL165359,CHEMBL165575,CHEMBL166193,CHEMBL166208,CHEMBL167601,CHEMBL1683214,CHEMBL1683215,CHEMBL1683216,CHEMBL1683217,CHEMBL169331,CHEMBL169905,CHEMBL170615,CHEMBL170754,CHEMBL170776,CHEMBL172198,CHEMBL174388,CHEMBL1744226,CHEMBL17516,CHEMBL175538,CHEMBL175801,CHEMBL177596,CHEMBL17796,CHEMBL17797,CHEMBL17912,CHEMBL17957,CHEMBL180650,CHEMBL182032,CHEMBL18324,CHEMBL18325,CHEMBL18422,CHEMBL193,CHEMBL195437,CHEMBL198965,CHEMBL2093006,CHEMBL21072,CHEMBL2111765,CHEMBL2111862,CHEMBL2111947,CHEMBL2112933,CHEMBL2115518,CHEMBL2115559,CHEMBL21303,CHEMBL21392,CHEMBL21476,CHEMBL21478,CHEMBL21513,CHEMBL21570,CHEMBL21639,CHEMBL21647,CHEMBL21849,CHEMBL21851,CHEMBL21852,CHEMBL21874,CHEMBL21954,CHEMBL21960,CHEMBL22016,CHEMBL22023,CHEMBL22363,CHEMBL22484,CHEMBL22542,CHEMBL22721,CHEMBL22759,CHEMBL23062,CHEMBL23088,CHEMBL23168,CHEMBL23202,CHEMBL23257,CHEMBL23509,CHEMBL23942,CHEMBL24984,CHEMBL25711,CHEMBL262055,CHEMBL262223,CHEMBL263019,CHEMBL263227,CHEMBL263516,CHEMBL264871,CHEMBL267473,CHEMBL267475,CHEMBL26820,CHEMBL269619,CHEMBL274942,CHEMBL275548,CHEMBL277167,CHEMBL277619,CHEMBL277620,CHEMBL277689,CHEMBL278458,CHEMBL278714,CHEMBL279847,CHEMBL280380,CHEMBL280728,CHEMBL281207,CHEMBL281338,CHEMBL281398,CHEMBL281621,CHEMBL281646,CHEMBL28196,CHEMBL282265,CHEMBL282823,CHEMBL282884,CHEMBL283196,CHEMBL283656,CHEMBL283814,CHEMBL283815,CHEMBL283860,CHEMBL284356,CHEMBL284827,CHEMBL284963,CHEMBL28506,CHEMBL28560,CHEMBL285887,CHEMBL286092,CHEMBL286308,CHEMBL286412,CHEMBL28642,CHEMBL287720,CHEMBL28776,CHEMBL28789,CHEMBL287956,CHEMBL288118,CHEMBL28814,CHEMBL288194,CHEMBL288420,CHEMBL288473,CHEMBL28848,CHEMBL288824,CHEMBL289076,CHEMBL28924,CHEMBL289377,CHEMBL289621,CHEMBL289812,CHEMBL289931,CHEMBL290046,CHEMBL290106,CHEMBL290205,CHEMBL290281,CHEMBL290483,CHEMBL290617,CHEMBL290637,CHEMBL290733,CHEMBL290882,CHEMBL290933,CHEMBL29106,CHEMBL291167,CHEMBL291338,CHEMBL291539,CHEMBL291700,CHEMBL292331,CHEMBL292740,CHEMBL292899,CHEMBL293122,CHEMBL293362,CHEMBL293764,CHEMBL294353,CHEMBL294706,CHEMBL294850,CHEMBL294924,CHEMBL294952,CHEMBL295049,CHEMBL295121,CHEMBL295364,CHEMBL295512,CHEMBL295673,CHEMBL295698,CHEMBL296006,CHEMBL296151,CHEMBL29639,CHEMBL296611,CHEMBL296720,CHEMBL296746,CHEMBL296945,CHEMBL297385,CHEMBL297434,CHEMBL297561,CHEMBL297608,CHEMBL297712,CHEMBL297806,CHEMBL298009,CHEMBL298130,CHEMBL298720,CHEMBL299186,CHEMBL299224,CHEMBL299309,CHEMBL299321,CHEMBL299467,CHEMBL299878,CHEMBL300109,CHEMBL300130,CHEMBL30024,CHEMBL300338,CHEMBL301106,CHEMBL301130,CHEMBL301189,CHEMBL301215,CHEMBL301280,CHEMBL301520,CHEMBL301550,CHEMBL301609,CHEMBL302457,CHEMBL302970,CHEMBL30395,CHEMBL30604,CHEMBL30766,CHEMBL30861,CHEMBL31409,CHEMBL316848,CHEMBL317322,CHEMBL317387,CHEMBL317605,CHEMBL317733,CHEMBL318048,CHEMBL318459,CHEMBL31854,CHEMBL318632,CHEMBL318899,CHEMBL318937,CHEMBL319769,CHEMBL319791,CHEMBL320009,CHEMBL320158,CHEMBL320235,CHEMBL320461,CHEMBL320682,CHEMBL321301,CHEMBL321549,CHEMBL323798,CHEMBL324059,CHEMBL324118,CHEMBL324130,CHEMBL324533,CHEMBL326356,CHEMBL326710,CHEMBL327426,CHEMBL327696,CHEMBL327992,CHEMBL328191,CHEMBL328487,CHEMBL328646,CHEMBL329064,CHEMBL329965,CHEMBL330187,CHEMBL330440,CHEMBL330442,CHEMBL330592,CHEMBL330614,CHEMBL33065,CHEMBL331356,CHEMBL33151,CHEMBL331822,CHEMBL33210,CHEMBL33407,CHEMBL334255,CHEMBL33514,CHEMBL335687,CHEMBL335717,CHEMBL335841,CHEMBL33632,CHEMBL336548,CHEMBL33689,CHEMBL33690,CHEMBL337048,CHEMBL33731,CHEMBL337331,CHEMBL33747,CHEMBL33748,CHEMBL337607,CHEMBL338241,CHEMBL338334,CHEMBL338360,CHEMBL338419,CHEMBL338420,CHEMBL338546,CHEMBL338588,CHEMBL33874,CHEMBL339269,CHEMBL339335,CHEMBL339568,CHEMBL339812,CHEMBL340396,CHEMBL34041,CHEMBL340504,CHEMBL341094,CHEMBL341211,CHEMBL341426,CHEMBL341591,CHEMBL341686,CHEMBL343535,CHEMBL344457,CHEMBL345105,CHEMBL34511,CHEMBL345471,CHEMBL345572,CHEMBL345586,CHEMBL34574,CHEMBL346590,CHEMBL346644,CHEMBL347224,CHEMBL347343,CHEMBL347379,CHEMBL348968,CHEMBL349150,CHEMBL349160,CHEMBL349982,CHEMBL350225,CHEMBL350510,CHEMBL350595,CHEMBL350816,CHEMBL350961,CHEMBL351024,CHEMBL351224,CHEMBL351385,CHEMBL351562,CHEMBL352075,CHEMBL352120,CHEMBL352196,CHEMBL352512,CHEMBL352668,CHEMBL352763,CHEMBL352874,CHEMBL353356,CHEMBL353950,CHEMBL354424,CHEMBL354662,CHEMBL355596,CHEMBL357723,CHEMBL362418,CHEMBL38723,CHEMBL38825,CHEMBL38988,CHEMBL39150,CHEMBL39172,CHEMBL40186,CHEMBL40425,CHEMBL40736,CHEMBL408,CHEMBL408135,CHEMBL40824,CHEMBL40937,CHEMBL40983,CHEMBL41031,CHEMBL41093,CHEMBL411,CHEMBL412099,CHEMBL41231,CHEMBL412442,CHEMBL41441,CHEMBL414614,CHEMBL415519,CHEMBL415946,CHEMBL416374,CHEMBL416402,CHEMBL416657,CHEMBL416947,CHEMBL417163,CHEMBL417297,CHEMBL417716,CHEMBL417816,CHEMBL418043,CHEMBL418188,CHEMBL418323,CHEMBL418452,CHEMBL41865,CHEMBL41880,CHEMBL418852,CHEMBL41904,CHEMBL41908,CHEMBL41945,CHEMBL419774,CHEMBL419790,CHEMBL41989,CHEMBL419900,CHEMBL419943,CHEMBL420086,CHEMBL420137,CHEMBL420251,CHEMBL420994,CHEMBL421,CHEMBL42170,CHEMBL421854,CHEMBL42217,CHEMBL422541,CHEMBL42263,CHEMBL422719,CHEMBL422793,CHEMBL42283,CHEMBL423117,CHEMBL423248,CHEMBL42341,CHEMBL42386,CHEMBL423993,CHEMBL424139,CHEMBL424160,CHEMBL42424,CHEMBL42440,CHEMBL42461,CHEMBL42462,CHEMBL42480,CHEMBL425325,CHEMBL42609,CHEMBL42677,CHEMBL427300,CHEMBL42738,CHEMBL42795,CHEMBL428,CHEMBL428709,CHEMBL429786,CHEMBL430495,CHEMBL430678,CHEMBL430965,CHEMBL43141,CHEMBL432014,CHEMBL43218,CHEMBL432958,CHEMBL43384,CHEMBL434063,CHEMBL43468,CHEMBL43488,CHEMBL435049,CHEMBL435412,CHEMBL435590,CHEMBL43731,CHEMBL43734,CHEMBL43745,CHEMBL43756,CHEMBL439787,CHEMBL44,CHEMBL440006,CHEMBL440096,CHEMBL440321,CHEMBL44094,CHEMBL44149,CHEMBL442,CHEMBL443001,CHEMBL44365,CHEMBL44422,CHEMBL44445,CHEMBL44446,CHEMBL445644,CHEMBL44705,CHEMBL44865,CHEMBL45075,CHEMBL45294,CHEMBL45328,CHEMBL45632,CHEMBL45685,CHEMBL45932,CHEMBL460291,CHEMBL460382,CHEMBL46476,CHEMBL46561,CHEMBL46571,CHEMBL46866,CHEMBL46912,CHEMBL47021,CHEMBL47164,CHEMBL47165,CHEMBL47189,CHEMBL47612,CHEMBL48092,CHEMBL48093,CHEMBL48142,CHEMBL483900,CHEMBL488,CHEMBL496,CHEMBL49633,CHEMBL506247,CHEMBL50916,CHEMBL51158,CHEMBL51367,CHEMBL51526,CHEMBL51618,CHEMBL51802,CHEMBL51875,CHEMBL51949,CHEMBL52344,CHEMBL52471,CHEMBL52568,CHEMBL52858,CHEMBL52948,CHEMBL53068,CHEMBL53290,CHEMBL53346,CHEMBL534331,CHEMBL53480,CHEMBL53487,CHEMBL53644,CHEMBL53656,CHEMBL536794,CHEMBL536798,CHEMBL53700,CHEMBL53703,CHEMBL53709,CHEMBL537260,CHEMBL537261,CHEMBL537488,CHEMBL53754,CHEMBL537708,CHEMBL537920,CHEMBL537923,CHEMBL537925,CHEMBL537926,CHEMBL538545,CHEMBL53881,CHEMBL539177,CHEMBL540586,CHEMBL541024,CHEMBL541097,CHEMBL541519,CHEMBL541522,CHEMBL541546,CHEMBL542051,CHEMBL542052,CHEMBL542053,CHEMBL542300,CHEMBL542301,CHEMBL542302,CHEMBL542303,CHEMBL542304,CHEMBL542364,CHEMBL542490,CHEMBL542545,CHEMBL542546,CHEMBL542547,CHEMBL542548,CHEMBL542549,CHEMBL54268,CHEMBL542787,CHEMBL542788,CHEMBL543021,CHEMBL543077,CHEMBL543203,CHEMBL543255,CHEMBL543256,CHEMBL543494,CHEMBL543496,CHEMBL543725,CHEMBL543726,CHEMBL543727,CHEMBL543915,CHEMBL544065,CHEMBL544148,CHEMBL544150,CHEMBL544201,CHEMBL544377,CHEMBL544493,CHEMBL544571,CHEMBL544722,CHEMBL544845,CHEMBL544900,CHEMBL544901,CHEMBL544902,CHEMBL544903,CHEMBL545139,CHEMBL54520,CHEMBL545364,CHEMBL545366,CHEMBL545367,CHEMBL545599,CHEMBL545600,CHEMBL545601,CHEMBL545602,CHEMBL54803,CHEMBL55083,CHEMBL55144,CHEMBL552591,CHEMBL552887,CHEMBL553274,CHEMBL553313,CHEMBL553319,CHEMBL553822,CHEMBL554418,CHEMBL554568,CHEMBL554597,CHEMBL554679,CHEMBL555076,CHEMBL555077,CHEMBL555463,CHEMBL55558,CHEMBL555625,CHEMBL555626,CHEMBL555642,CHEMBL555812,CHEMBL556014,CHEMBL556044,CHEMBL556173,CHEMBL557333,CHEMBL557386,CHEMBL557427,CHEMBL557591,CHEMBL55763,CHEMBL557796,CHEMBL557994,CHEMBL56059,CHEMBL56418,CHEMBL565406,CHEMBL56722,CHEMBL56742,CHEMBL56778,CHEMBL57359,CHEMBL57480,CHEMBL57489,CHEMBL57513,CHEMBL57576,CHEMBL57716,CHEMBL57736,CHEMBL58332,CHEMBL58518,CHEMBL59547,CHEMBL6,CHEMBL603,CHEMBL60516,CHEMBL60572,CHEMBL60625,CHEMBL60710,CHEMBL60930,CHEMBL61306,CHEMBL62811,CHEMBL62834,CHEMBL62852,CHEMBL63040,CHEMBL63056,CHEMBL63090,CHEMBL63904,CHEMBL64005,CHEMBL65161,CHEMBL65187,CHEMBL65378,CHEMBL65414,CHEMBL65622,CHEMBL68058,CHEMBL70901,CHEMBL7718,CHEMBL787,CHEMBL808,CHEMBL82479,CHEMBL8273,CHEMBL83,CHEMBL89938,CHEMBL90996,CHEMBL91,CHEMBL91799,CHEMBL92083,CHEMBL92247,CHEMBL92414,CHEMBL92863,CHEMBL92933,CHEMBL93265,CHEMBL941,CHEMBL94375,CHEMBL94381,CHEMBL94692,CHEMBL95554,CHEMBL96727,CHEMBL97891,CHEMBL97892,CHEMBL97917,CHEMBL97978,CHEMBL98085,CHEMBL98141,CHEMBL98251,CHEMBL98282,CHEMBL98371,CHEMBL98372,CHEMBL98439,CHEMBL98443,CHEMBL98444,CHEMBL98477,CHEMBL98536,CHEMBL98601,CHEMBL98690,CHEMBL98694,CHEMBL98715,CHEMBL98840,CHEMBL98845,CHEMBL98901,CHEMBL98941,CHEMBL98952,CHEMBL99223,CHEMBL99319,CHEMBL99439,CHEMBL99551} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute Br.094 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.004 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.007 numeric @attribute C.008 numeric @attribute C.009 numeric @attribute C.010 numeric @attribute C.011 numeric @attribute C.012 numeric @attribute C.013 numeric @attribute C.015 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.018 numeric @attribute C.019 numeric @attribute C.020 numeric @attribute C.021 numeric @attribute C.022 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.029 numeric @attribute C.030 numeric @attribute C.031 numeric @attribute C.032 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.035 numeric @attribute C.038 numeric @attribute C.039 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute C.042 numeric @attribute C.043 numeric @attribute C.044 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_AN numeric @attribute CATS2D_01_AP numeric @attribute CATS2D_01_DA numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_01_PN numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AN numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DN numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_NN numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_02_PN numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AN numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DN numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_06_NN numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AN numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DN numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_07_NN numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DN numeric @attribute CATS2D_08_DP numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AN numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_DN numeric @attribute CATS2D_09_DP numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_NL numeric @attribute CATS2D_09_PL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.086 numeric @attribute Cl.089 numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr04 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 numeric @attribute D.Dtr08 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute D.Dtr11 numeric @attribute D.Dtr12 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.50 numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.dm. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.dm. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.dm. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.dm. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.dm. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.dm. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.dm. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute F.083 numeric @attribute F.084 numeric @attribute GATS1e numeric @attribute GATS1i numeric @attribute GATS1m numeric @attribute GATS1p numeric @attribute GATS1s numeric @attribute GATS1v numeric @attribute GATS2e numeric @attribute GATS2i numeric @attribute GATS2m numeric @attribute GATS2p numeric @attribute GATS2s numeric @attribute GATS2v numeric @attribute GATS3e numeric @attribute GATS3i numeric @attribute GATS3m numeric @attribute GATS3p numeric @attribute GATS3s numeric @attribute GATS3v numeric @attribute GATS4e numeric @attribute GATS4i numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS4s numeric @attribute GATS4v numeric @attribute GATS5e numeric @attribute GATS5i numeric @attribute GATS5m numeric @attribute GATS5p numeric @attribute GATS5s numeric @attribute GATS5v numeric @attribute GATS6e numeric @attribute GATS6i numeric @attribute GATS6m numeric @attribute GATS6p numeric @attribute GATS6s numeric @attribute GATS6v numeric @attribute GATS7e numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute GATS7p numeric @attribute GATS7s numeric @attribute GATS7v numeric @attribute GATS8e numeric @attribute GATS8i numeric @attribute GATS8m numeric @attribute GATS8p numeric @attribute GATS8s numeric @attribute GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute GNar numeric @attribute H. numeric @attribute H.046 numeric @attribute H.047 numeric @attribute H.048 numeric @attribute H.049 numeric @attribute H.050 numeric @attribute H.051 numeric @attribute H.052 numeric @attribute H.053 numeric @attribute H.054 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute Hypertens.50 numeric @attribute Hypertens.80 numeric @attribute Hypnotic.50 numeric @attribute Hypnotic.80 numeric @attribute I.099 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.50 numeric @attribute Infective.80 numeric @attribute Inflammat.50 numeric @attribute Inflammat.80 numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2i numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3i numeric @attribute MATS3m numeric @attribute MATS3p numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s numeric @attribute MATS4v numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS5m numeric @attribute MATS5p numeric @attribute MATS5s numeric @attribute MATS5v numeric @attribute MATS6e numeric @attribute MATS6i numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6s numeric @attribute MATS6v numeric @attribute MATS7e numeric @attribute MATS7i numeric @attribute MATS7m numeric @attribute MATS7p numeric @attribute MATS7s numeric @attribute MATS7v numeric @attribute MATS8e numeric @attribute MATS8i numeric @attribute MATS8m numeric @attribute MATS8p numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute Me numeric @attribute Mi numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute Mp numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MSD numeric @attribute Mv numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute N.066 numeric @attribute N.067 numeric @attribute N.068 numeric @attribute N.069 numeric @attribute N.070 numeric @attribute N.071 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute N.074 numeric @attribute N.075 numeric @attribute N.076 numeric @attribute N.077 numeric @attribute N.078 numeric @attribute N.079 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaaO numeric @attribute NaaS numeric @attribute NaasC numeric @attribute NaasN numeric @attribute nAB numeric @attribute nArCN numeric @attribute nArC.N numeric @attribute nArCNO numeric @attribute nArCO numeric @attribute nArCONH2 numeric @attribute nArCONHR numeric @attribute nArCONR2 numeric @attribute nArCOOH numeric @attribute nArCOOR numeric @attribute nArNH2 numeric @attribute nArNHR numeric @attribute nArNO2 numeric @attribute nArNR2 numeric @attribute nArOCON numeric @attribute nArOH numeric @attribute nArOR numeric @attribute nArX numeric @attribute nAT numeric @attribute nAziridines numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBR numeric @attribute nBT numeric @attribute nC numeric @attribute n.C. numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCconjX numeric @attribute nCHR2X numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCL numeric @attribute nC.N.N. numeric @attribute nC..N.N2 numeric @attribute nCONN numeric @attribute nCp numeric @attribute nCq numeric @attribute nCrq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCRX3 numeric @attribute nCs numeric @attribute nCsp numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NdCH2 numeric @attribute NddC numeric @attribute NddsN numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdS numeric @attribute NdsCH numeric @attribute NdsN numeric @attribute NdssC numeric @attribute NdssS numeric @attribute NdsssP numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nF numeric @attribute nFuranes numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nI numeric @attribute nImidazoles numeric @attribute nN numeric @attribute nN. numeric @attribute nN.C.N. numeric @attribute nN.CO.2 numeric @attribute nN.N.1 numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs numeric @attribute nOHt numeric @attribute nOxazoles numeric @attribute nOxolanes numeric @attribute nP numeric @attribute nP..O.O2R numeric @attribute nPyrazines numeric @attribute nPyridazines numeric @attribute nPyridines numeric @attribute nPyrimidines numeric @attribute nPyrroles numeric @attribute nPyrrolidines numeric @attribute nR03 numeric @attribute nR04 numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR07 numeric @attribute nR08 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nR11 numeric @attribute nR12 numeric @attribute nR.C. numeric @attribute nR.CH.X numeric @attribute nRCN numeric @attribute nRC.N numeric @attribute nRCNO numeric @attribute nRCO numeric @attribute nRCONH2 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nRCOOH numeric @attribute nRCOOR numeric @attribute nR.Cp numeric @attribute nR.CRX numeric @attribute nR.Cs numeric @attribute nR.Ct numeric @attribute nRNH2 numeric @attribute nRNHO numeric @attribute nRNHR numeric @attribute nRNO2 numeric @attribute nRNR2 numeric @attribute nROCON numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsBr numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute NsF numeric @attribute NsI numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute nSO numeric @attribute nS..O.2 numeric @attribute nSO2N numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nTB numeric @attribute NtCH numeric @attribute nThiazoles numeric @attribute nThiophenes numeric @attribute ntH.Thiophenes numeric @attribute NtN numeric @attribute nTriazoles numeric @attribute NtsC numeric @attribute nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute O.060 numeric @attribute O.061 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute P.120 numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_0d numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_0d numeric @attribute Psi_i_1 numeric @attribute Psi_i_1d numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psi_i_t numeric @attribute Psychotic.50 numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_4 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 numeric @attribute P_VSA_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_m_5 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_4 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_p_4 numeric @attribute P_VSA_s_1 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute P_VSA_v_4 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.107 numeric @attribute S.108 numeric @attribute S.109 numeric @attribute S.110 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SaaaC numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaaN numeric @attribute SaaNH numeric @attribute SaaO numeric @attribute SaaS numeric @attribute SaasC numeric @attribute SaasN numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdCH2 numeric @attribute SddC numeric @attribute SddsN numeric @attribute SddssS numeric @attribute SdO numeric @attribute SdS numeric @attribute SdsCH numeric @attribute SdsN numeric @attribute SdssC numeric @attribute SdssS numeric @attribute SdsssP numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW03 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsBr numeric @attribute SsCH3 numeric @attribute SsCl numeric @attribute SsF numeric @attribute SsI numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute StCH numeric @attribute StN numeric @attribute StsC numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,118 48.8,123 1,140 10,141 3,142 2,143 2,144 1,150 1,157 1,168 10,172 4,175 1,177 2,180 9,186 8,191 5,194 5,198 8,203 4,206 6,210 1,213 1,215 2,218 14,221 1,222 1,229 18,233 1,234 3,237 1,242 12,247 4,255 4,259 4,270 1123,271 18.361,272 18.361,273 18.361,274 18.361,275 18.361,276 15.561,277 4.368,278 10.837,279 18.876,280 14.814,281 14.814,282 14.814,283 14.814,284 14.814,285 10.659,286 2.498,287 5.164,288 15.642,289 3.744,290 2.087,291 1.302,292 0.762,293 0.669,294 0.669,295 4.038,298 1,299 1,300 1,301 587,302 2.646,305 74.848,306 265.59,313 1.451,314 27.251,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 58,326 271,327 4.568,328 4.698,329 6.747,330 4.172,331 3.204,332 4.301,333 2.95,334 11.08,335 3.103,336 4.196,337 3.207,338 6.1,339 3.769,340 2.819,341 3.802,343 8.88,344 2.706,345 3.986,346 2.897,347 5.879,348 3.558,349 2.592,350 3.578,352 8.043,353 2.526,354 3.913,355 2.729,356 5.772,357 3.479,358 2.553,359 3.377,361 7.837,362 2.294,363 3.621,364 2.51,365 5.054,366 3.176,367 2.229,368 3.038,370 6.071,371 2.091,372 3.253,373 2.432,374 4.69,375 2.752,376 1.805,377 2.55,379 4.948,380 1.696,381 2.997,382 1.854,383 4.272,384 2.455,385 1.527,386 2.177,388 3.75,389 1.403,390 2.727,391 1.488,392 3.913,393 2.169,394 1.23,395 1.772,397 3.032,398 1.139,399 2.5,400 1.172,401 3.711,402 2,403 1,404 1.5,406 2.575,407 1,408 2.5,409 1,410 3.456,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.414,420 1.984,421 1,422 1.5,424 2.275,425 0.983,426 2.44,427 1,428 3.414,429 1.892,430 0.945,431 1.382,433 2.192,434 0.886,435 2.277,436 0.826,437 3.247,438 1.716,439 0.792,440 1.169,442 2.136,443 0.73,444 1.137,445 0.62,446 2.605,447 0.725,448 -0.188,449 -0.236,451 -0.422,452 -0.166,453 0.965,454 0.301,455 2.512,456 0.504,457 -0.453,458 -0.594,460 -1.096,461 -0.422,462 13.152,463 0.487,464 0.644,465 0.024,466 40.5,467 1.5,468 23.5,469 0.87,470 17,471 0.63,472 17.941,473 0.664,474 27.048,475 0.629,476 29.792,477 1.103,478 8.054,479 0.298,480 5.06,481 0.187,482 0.085,484 0.367,486 1,487 0.545,488 0.959,489 0.724,490 0.931,491 0.569,492 0.805,493 0.683,494 1.023,495 1.025,496 1.087,497 0.581,498 0.931,499 1.117,500 1.081,501 1.027,502 1.01,503 1.067,504 1.008,505 1.059,506 1.04,507 1.039,508 0.992,509 0.909,510 1.052,511 0.717,512 0.694,513 0.72,514 0.677,515 0.564,516 0.839,517 0.446,518 0.776,519 0.686,520 0.856,521 0.416,522 0.929,523 0.461,524 0.996,525 0.879,526 1.094,527 0.567,528 1.166,529 0.905,530 0.972,531 0.883,532 0.948,533 0.88,534 1.093,535 5,536 0.136,537 3.333,538 1.41,539 1.466,540 1.202,541 0.457,542 0.28,543 0.357,544 0.275,545 8549,546 27336,547 2.12,548 37.2,550 13,552 2,553 1,558 1.706,559 2,560 3.291,561 -0.346,563 1,567 72.336,568 1.682,569 3.339,570 4.125,571 4.665,572 4.758,573 4.758,574 2.75,575 4.236,576 4.72,577 3.463,578 1215.67,579 8.228,580 15393.9,582 1,584 1,585 233.329,586 1.352,587 4.694,588 0.167,589 0.008,590 0.079,591 0.034,592 0.038,593 0.032,594 0.012,595 0.008,596 0.012,597 0.013,598 0.402,599 0.17,600 1,601 0.704,602 132.502,603 0.018,604 -0.04,605 0.116,606 0.009,607 -0.084,608 0.039,609 -0.009,610 -0.086,611 -0.1,612 -0.115,613 0.026,614 -0.044,615 -0.151,616 -0.103,617 -0.141,618 -0.081,619 -0.09,620 -0.096,621 -0.175,622 -0.093,623 -0.202,624 -0.121,625 -0.112,626 -0.148,627 -0.066,628 0.122,629 0.04,630 0.143,631 -0.04,632 0.12,633 0.137,634 0.077,635 0.099,636 0.015,637 0.074,638 0.039,639 0.218,640 -0.104,641 -0.058,642 -0.179,643 0.091,644 -0.209,645 -0.055,646 -0.064,647 -0.005,648 -0.034,649 -0.053,650 -0.071,651 2.25,652 5.338,653 0.852,654 25.295,655 1.009,656 1.113,657 3.69,658 13.619,659 0.73,660 3.434,661 3.761,662 4.043,663 4.304,664 4.575,665 4.718,666 4.875,667 4.99,668 5.165,669 5.231,670 6.08,671 0.699,672 377.47,673 3.434,674 4.977,675 5.832,676 6.711,677 7.588,678 8.477,679 9.365,680 10.26,681 11.154,682 12.053,683 7,691 1,693 2,699 12,700 2,701 1,704 8,706 23,723 1,724 43,726 24,727 2,728 30,730 46,731 21,733 20,734 4,735 8,739 4,740 4,753 20,754 1,756 1,761 1,766 1,769 1,770 1,772 16,773 4,774 1,775 6,776 1,778 1,779 3,784 1,785 1,795 1,801 1,802 3,832 4,834 1,836 1,838 1,840 27,842 1,861 1,862 2.3,865 1,869 13.5,870 8.126,871 5.889,872 2.38,874 3.419,875 1.461,876 1.04,877 4.763,878 10.831,879 3.773,880 4.404,881 5.025,882 5.633,883 6.205,884 6.579,885 7.074,886 7.513,887 8.009,888 8.403,889 0.857,890 42,891 9.975,893 4.309,894 7.872,895 18.812,897 15.524,899 2.372,900 64.056,903 1,904 176.567,905 167.25,906 50.357,908 22.156,909 14.96,910 19.133,911 148.118,912 198.723,913 65.317,914 7.19,916 113.895,917 81.598,918 57.866,919 17.717,920 153.024,922 176.567,923 198.474,924 37.117,925 19.133,927 191.527,928 22.156,931 39.965,932 124.938,933 33.571,934 19.133,935 191.527,936 72.513,937 167.25,940 195.699,941 28.07,942 120.048,943 16.786,944 70.688,945 176.567,946 87.473,947 167.25,949 0.583,950 0.337,951 0.176,952 0.102,953 21,954 9,955 0.087,956 4,958 1,959 3.869,960 237.009,962 23,963 116.382,966 1,968 17.477,969 7.358,970 3.635,972 70.688,973 20.936,974 8.82,975 3.368,978 5.372,980 16.786,981 431.29,982 42.5,987 11.6,992 -1.028,994 43.407,995 47.87,996 0.31,997 0.615,998 0.76,999 0.86,1000 0.877,1001 0.877,1002 4.989,1003 1.23,1004 5.814,1005 3.75,1006 4.443,1007 5.091,1008 2.913,1009 6.624,1010 4.347,1011 6.21,1012 1,1013 7.372,1014 3.032,1015 4.007,1016 4.796,1018 7.529,1019 3.829,1020 7.516,1021 1,1022 9.031,1023 2.575,1024 6.033,1025 7.299,1026 5.027,1027 10.63,1028 5.859,1029 8.859,1030 1,1031 10.75,1032 2.275,1033 6.431,1034 7.837,1036 12.386,1037 6.185,1038 10.233,1039 0.945,1040 12.509,1041 2.275,1042 7.917,1043 9.773,1044 7.185,1045 15.002,1046 7.672,1047 11.63,1048 0.792,1049 14.294,1050 2.192,1051 8.694,1052 10.716,1054 17.109,1055 8.392,1056 13.044,1057 -0.188,1058 16.099,1059 2.136,1060 9.961,1061 12.395,1062 9.348,1063 19.567,1064 9.652,1065 3.204,1066 -0.453,1067 17.918,1068 -0.422,1069 10.922,1070 13.557,1072 21.832,1073 10.569,1074 2.819,1075 11.08,1076 19.749,1077 -1.096,1078 12.102,1079 15.108,1080 11.511,1081 24.24,1082 11.733,1083 2.592,1084 8.88,1085 21.589,1086 4.301,1087 13.154,1088 16.393,1090 26.576,1091 12.749,1092 2.553,1093 8.043,1094 23.437,1095 3.802,1096 14.303,1097 17.883,1098 13.675,1099 28.972,1100 13.876,1101 2.229,1102 7.837,1103 25.291,1104 3.578,1105 15.401,1106 19.238,1108 31.342,1109 14.942,1110 1.805,1111 6.071,1112 27.151,1113 3.377,1114 16.542,1115 20.7,1116 15.838,1117 33.738,1118 16.059,1119 1.527,1120 4.948,1121 29.017,1122 3.038,1123 17.665,1124 22.095,1126 36.124,1127 17.151,1128 8183,1129 14750,1130 20.285,1131 31.387,1132 46.121,1133 48.057,1134 46.538,1135 45.542,1136 45.393,1137 63.291,1138 5.9,1139 130.187,1140 43.112,1141 5.267,1142 6.698,1143 6.549,1144 5.207,1145 5.204,1146 7.301,1147 5.9,1148 18.235,1149 5.103,1150 12.043,1151 1.537,1152 1.602,1153 1.551,1154 1.518,1155 1.513,1156 2.11,1157 0.197,1158 4.34,1159 1.437,1160 4.093,1161 4.128,1162 4.34,1163 4.01,1164 8.201,1165 4.007,1166 3.902,1167 3.916,1168 4.036,1169 3.882,1170 7.398,1171 3.847,1172 3.833,1173 3.867,1174 3.785,1175 3.747,1176 5.032,1177 3.748,1178 3.636,1179 3.679,1180 3.708,1181 3.526,1182 4.839,1183 3.494,1184 3.381,1185 3.405,1186 3.463,1187 3.301,1188 4.641,1189 3.239,1190 2.895,1191 2.942,1192 2.853,1193 2.748,1194 4.503,1195 2.755,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.792,1201 2.715,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.716,1207 2.715,1208 0.152,1209 0.157,1210 0.225,1211 0.139,1212 0.107,1213 4.568,1214 0.143,1215 4.698,1216 0.098,1217 6.747,1218 0.369,1219 4.172,1220 0.103,1221 3.204,1222 4.301,1223 2.95,1224 11.08,1225 3.103,1226 1.93,1227 1.915,1228 2.012,1229 2.02,1230 1.154,1231 2.022,1232 1.925,1233 1.902,1234 1.992,1235 1.994,1236 1.117,1237 2.009,1238 1.814,1239 1.782,1240 1.921,1241 1.923,1242 0.975,1243 1.928,1244 1.429,1245 1.415,1246 1.552,1247 1.597,1248 0.766,1249 1.633,1250 1.267,1251 1.221,1252 1.409,1253 1.469,1254 0.462,1255 1.481,1256 1.149,1257 1.086,1258 1.259,1259 1.358,1260 0.336,1261 1.335,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.111,1276 5.434,1277 2.398,1278 6.952,1279 4.727,1280 8.551,1281 6.862,1282 10.193,1284 1.649,1286 13.338,1300 30.037,1301 72.336,1302 143.581,1303 177.355,1304 200.574,1305 204.574,1306 204.574,1307 45.154,1308 7.412,1309 58.64,1310 77.85,1311 23,1312 12.577,1313 4.644,1314 3.755,1315 39.954,1316 97,1317 102,1318 0.203,1319 187.143,1320 316.15,1321 448.389,1322 14504,1323 2.3,1324 18.803,1325 0.696,1326 0.568,1327 18.221,1328 15.334,1329 13.114,1330 0.437,1331 0.329,1332 8.367,1333 12.075,1334 8.007,1335 6.652,1336 13.464,1337 9.876,1338 11.896,1339 0.283,1340 0.176,1341 12.132,1342 7.41,1343 10.047,1344 0.179,1345 0.093,1346 10.274,1347 5.186,1348 8.173,1349 0.112,1350 0.046,1351 8.451,1352 3.378,1353 6.78,1354 0.071,1355 0.024,1356 6.866,1357 2.284,1358 0.312,1359 88.885,1360 0.222,1361 25.663,1362 0.579,1363 144,1364 466.33,1365 180.557,1366 455.817,1367 618.46,1368 424,1369 170,1370 436.236,1371 204.305,1372 462.651,1373 666.94,1374 434,1375 6.306} {0 CHEMBL100349,1 1.322,2 11.458,3 5.002,4 25.022,5 97.51,6 6.601,7 0.48,8 3.928,9 4.051,10 3.372,11 3.511,12 4.99,13 3.449,14 4.447,15 4.63,16 3.61,17 3.866,18 5.503,19 3.755,20 4.743,21 4.998,22 3.588,23 3.976,24 5.584,25 3.823,26 4.715,27 4.971,28 3.557,29 3.951,30 5.542,31 3.795,32 4.727,33 4.973,34 3.598,35 3.981,36 5.587,37 3.829,38 4.792,39 5.055,40 3.532,41 3.977,42 5.629,43 3.805,44 4.739,45 5.018,46 3.357,47 3.864,48 5.541,49 3.672,50 4.584,51 4.869,52 3.161,53 3.682,54 5.374,55 3.485,56 0.047,57 0.627,58 10.915,59 4.995,60 8.901,61 6.714,62 0.191,63 1.009,64 18.888,65 8.173,66 36.203,67 11.344,68 0.198,69 1.257,70 26.068,71 10.645,72 35.837,73 14.967,74 0.18,75 1.227,76 25.284,77 10.396,78 32.238,79 14.658,80 0.176,81 1.259,82 25.533,83 10.486,84 33.364,85 14.783,86 0.21,87 1.333,88 27.492,89 10.828,90 38.715,91 15.491,92 0.211,93 1.235,94 26.215,95 10.185,96 38.511,97 14.631,98 0.19,99 1.036,100 22.511,101 8.713,102 34.381,103 12.471,104 14,105 30,106 0.226,107 0.527,108 0.683,109 0.809,110 0.868,111 0.882,112 3.227,113 1.038,114 -4.84,115 -4.75,116 -4.46,118 42.9,120 7,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 20,181 1,186 3,191 1,194 20,195 1,198 3,203 1,206 19,207 1,210 4,215 1,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 1,247 2,252 1,255 10,256 1,259 2,264 1,267 9,268 1,270 1022,271 16.485,272 16.485,273 16.485,274 16.485,275 16.485,276 14.617,277 5.568,278 10.69,279 16.555,280 12.415,281 12.415,282 12.415,283 12.415,284 12.415,285 9.755,286 1.893,287 5.171,288 12.514,289 4.293,290 2.526,291 1.615,292 0.878,293 0.531,294 0.449,295 3.898,299 1,300 1,301 567,302 3.873,306 186.353,313 1.715,314 16.227,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 50.5,326 275,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.242,349 2.236,350 2.71,352 5.184,353 2.224,354 3.28,355 2.012,356 4.224,357 2.874,358 1.877,359 2.58,361 4.08,362 1.87,363 2.861,364 1.775,365 3.833,366 2.707,367 1.719,368 1.908,370 3.596,371 1.697,372 2.781,373 1.572,374 3.555,375 2.423,376 1.425,377 1.877,379 2.926,380 1.419,381 2.631,382 1.317,383 3.526,384 2.3,385 1.317,386 1.616,388 2.88,389 1.293,390 2.5,391 1.225,392 3.261,393 2,394 1,395 1.5,397 2.196,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.996,408 2.287,409 1,410 3.247,411 1.956,412 1,413 1.207,415 2.136,416 0.953,417 1.757,418 0.779,419 2.852,420 1.575,421 0.576,422 0.663,424 1.28,425 0.573,426 1.195,427 0.491,428 2.389,429 1.081,430 0.08,431 0.086,433 0.173,434 0.08,435 0.794,436 0.226,437 2.198,438 0.539,439 -0.463,440 -0.499,442 -1.001,443 -0.459,444 0.719,445 -0.24,446 1.898,447 0.277,448 -0.705,449 -0.952,451 -1.547,452 -0.688,453 0.503,454 -0.705,455 1.555,456 0.107,457 -0.9,458 -1.046,460 -1.963,461 -0.875,462 11.567,463 0.482,464 0.315,465 0.013,466 28.5,467 1.188,468 15,469 0.625,470 13.5,471 0.563,472 19.646,473 0.819,474 26.233,475 0.535,476 18.533,477 0.772,478 5.429,479 0.226,480 6.342,481 0.264,482 0.058,484 0.173,487 0.752,488 1.149,489 0.935,490 1.085,491 0.695,492 1.039,493 0.459,494 1.188,495 1.04,496 1.19,497 0.399,498 1.175,499 0.791,500 0.928,501 0.938,502 0.936,503 0.811,504 0.952,505 0.713,506 0.952,507 0.933,508 0.96,509 0.714,510 0.97,511 0.733,512 1.043,513 0.987,514 1.029,515 0.735,516 1.036,517 0.781,518 1.045,519 1.042,520 1.037,521 0.747,522 1.059,523 0.796,524 1.001,525 1.033,526 1.013,527 0.777,528 1.04,529 0.849,530 0.939,531 1.006,532 0.969,533 0.86,534 0.997,535 2.5,536 0.041,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.09,544 0.051,545 6733,546 17599,547 2.02,548 51,549 12,550 8,552 2,553 1,554 2,558 1.666,559 1.946,560 3.435,561 -0.424,567 64.786,568 1.322,569 3.089,570 4,571 4.737,572 5.084,573 5.166,574 2.836,575 3.403,576 4.55,577 3.676,578 1014.61,579 7.839,580 12942.9,582 1,585 275.121,586 1.041,587 4.543,588 0.1,589 0.003,590 0.052,591 0.034,592 0.017,593 0.009,594 0.009,595 0.008,596 0.005,597 0.003,598 0.24,599 0.5,600 1,601 2.209,602 117.604,603 -0.039,604 -0.004,605 0.011,606 0.031,607 -0.02,608 0.025,609 0.188,610 -0.108,611 -0.099,612 -0.132,613 0.219,614 -0.142,615 -0.042,616 0.047,617 0.017,618 0.064,619 -0.044,620 0.048,621 -0.025,622 0.025,623 0.015,624 0.041,625 -0.03,626 0.033,627 -0.036,628 -0.048,629 -0.038,630 -0.024,631 -0.049,632 -0.032,633 -0.056,634 -0.053,635 -0.086,636 -0.059,637 -0.068,638 -0.073,639 -0.052,640 -0.034,641 -0.076,642 -0.05,643 -0.072,644 -0.062,645 -0.05,646 0.007,647 -0.043,648 -0.01,649 -0.08,650 -0.023,651 2.359,652 3.466,653 0.5,654 24.799,655 0.987,656 1.12,657 3.61,658 13.029,659 0.654,660 3.258,661 3.434,662 3.584,663 3.761,664 3.912,665 3.807,666 3.871,667 3.85,668 3.738,669 3.611,670 6.976,671 0.608,672 323.47,673 3.258,674 4.71,675 5.485,676 6.29,677 7.091,678 7.91,679 8.726,680 9.554,681 10.379,682 11.213,683 2,693 1,699 9,700 1,704 2,706 12,724 49,726 14,727 1,728 25,730 50,731 21,733 11,734 1,735 5,736 2,739 2,740 2,751 7,753 14,754 7,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 7,862 4.1,864 1,865 1,869 12.333,870 8.4,871 5.639,872 3.225,874 2.016,875 1.321,876 0.925,877 7.927,878 8.3,879 3.526,880 3.97,881 4.425,882 4.922,883 5.407,884 5.402,885 5.775,886 5.984,887 6.09,888 6.167,889 1,890 29,891 8.856,893 3.526,894 7.715,895 17.248,897 13.574,899 2.215,900 53.167,903 1,904 282.506,905 122.113,906 16.786,908 67.828,911 122.113,912 350.335,913 16.786,915 17.742,916 75.81,917 109.066,918 27.652,920 258.964,922 282.506,923 138.899,924 67.828,927 282.506,928 67.828,931 35.837,932 76.8,933 26.262,935 282.506,936 84.614,937 122.113,940 282.506,941 28.208,942 93.905,944 84.614,945 282.506,946 84.614,947 122.113,949 0.54,950 0.288,951 0.157,952 0.086,953 10,954 4,955 0.2,956 10,958 1,959 3.795,960 167.929,962 12,963 104.039,968 18.097,969 10.513,970 6.821,972 84.614,973 18.168,974 4.235,978 2.358,980 42.683,981 489.233,982 33,987 10.466,989 2.295,991 0.538,994 48.36,995 54.9,996 0.235,997 0.55,998 0.712,999 0.844,1000 0.905,1001 0.92,1002 4.673,1003 1,1004 5.371,1005 2.88,1006 4.111,1007 4.654,1008 2.258,1009 6.023,1010 4.097,1011 5.798,1012 1,1013 6.817,1014 2.196,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.029,1021 1,1022 8.378,1023 2.136,1024 5.517,1025 6.659,1026 3.628,1027 9.814,1028 5.496,1029 8.3,1030 0.576,1031 10.021,1032 2.136,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.611,1039 0.08,1040 11.725,1041 1.28,1042 7.231,1043 8.97,1044 5.201,1045 14.118,1046 7.206,1047 10.952,1048 -0.463,1049 13.473,1050 0.173,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.317,1057 -0.705,1058 15.254,1059 -1.001,1060 9.143,1061 11.448,1062 6.849,1063 18.634,1064 9.118,1065 3.006,1066 -0.9,1067 17.059,1068 -1.547,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.88,1077 -1.963,1078 11.185,1079 14.023,1080 8.526,1081 23.227,1082 11.16,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.877,1093 5.184,1094 22.557,1095 3.298,1096 13.301,1097 16.66,1098 10.216,1099 27.849,1100 13.276,1101 1.719,1102 4.08,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.425,1111 3.596,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 11.912,1117 32.481,1118 15.432,1119 1.317,1120 2.926,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 6804,1129 11076,1130 16.871,1131 32.052,1132 35.465,1133 35.784,1134 35.497,1135 35.051,1136 35.029,1137 45.776,1138 4.682,1139 86.319,1140 34.729,1141 5.292,1142 5.596,1143 6.388,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 9.599,1151 1.419,1152 1.431,1153 1.42,1154 1.402,1155 1.401,1156 1.831,1157 0.187,1158 3.453,1159 1.389,1160 3.998,1161 4.028,1162 3.939,1163 3.943,1164 7.474,1165 3.938,1166 3.79,1167 3.838,1168 3.716,1169 3.706,1170 6.351,1171 3.703,1172 3.778,1173 3.827,1174 3.637,1175 3.654,1176 4.924,1177 3.64,1178 3.609,1179 3.658,1180 3.479,1181 3.464,1182 4.74,1183 3.456,1184 3.385,1185 3.429,1186 3.262,1187 3.227,1188 4.265,1189 3.227,1190 3.143,1191 3.19,1192 3,1193 2.967,1194 4.091,1195 2.967,1196 2.885,1197 2.952,1198 2.687,1199 2.735,1200 3.826,1201 2.715,1202 2.854,1203 2.925,1204 2.686,1205 2.674,1206 3.772,1207 2.67,1208 0.175,1209 0.144,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.596,1216 0.094,1217 6.498,1218 0.407,1219 4.005,1220 0.12,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.088,1229 2.051,1230 1.4,1231 2.064,1232 1.794,1233 1.751,1234 2.021,1235 1.943,1236 1.224,1237 1.972,1238 1.774,1239 1.725,1240 1.913,1241 1.893,1242 1.106,1243 1.903,1244 1.601,1245 1.548,1246 1.844,1247 1.784,1248 0.939,1249 1.803,1250 1.361,1251 1.313,1252 1.608,1253 1.564,1254 0.832,1255 1.574,1256 1.113,1257 1.064,1258 1.368,1259 1.332,1260 0.541,1261 1.34,1262 0.886,1263 0.821,1264 1.181,1265 1.125,1266 0.345,1267 1.144,1268 0.862,1269 0.798,1270 1.18,1271 1.062,1272 0.218,1273 1.107,1274 3.932,1276 5.142,1278 6.541,1280 8.034,1282 9.582,1289 8.619,1290 6.487,1300 29.773,1301 64.786,1302 151.337,1303 195.985,1304 232.101,1305 249.121,1306 253.121,1307 46.092,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.786,1313 3.907,1314 3.17,1315 48.659,1316 95,1317 112,1318 0.235,1319 188.79,1320 332.8,1321 452.409,1322 3773,1324 17.037,1325 0.71,1326 0.584,1327 17.037,1328 14.026,1329 11.771,1330 0.471,1331 0.346,1332 8.603,1333 11.547,1334 8.418,1335 7.069,1336 11.771,1337 8.649,1338 9.553,1339 0.318,1340 0.198,1341 9.553,1342 5.926,1343 7.08,1344 0.202,1345 0.114,1346 7.08,1347 4.001,1348 5.621,1349 0.134,1350 0.065,1351 5.621,1352 2.739,1353 4.409,1354 0.09,1355 0.037,1356 4.409,1357 1.834,1358 0.38,1359 72.28,1360 0.243,1361 24.206,1362 0.61,1363 110,1364 291.53,1365 115.816,1366 287.899,1367 382.91,1368 268,1369 120,1370 266.779,1371 124.157,1372 273.699,1373 387.64,1374 258,1375 6.638} {0 CHEMBL100755,1 1.519,2 9.455,3 4.382,4 19.202,5 91.33,6 9.007,7 0.522,8 3.747,9 3.851,10 3.472,11 3.386,12 4.886,13 3.329,14 4.233,15 4.387,16 3.83,17 3.748,18 5.405,19 3.648,20 4.507,21 4.722,22 3.836,23 3.866,24 5.475,25 3.722,26 4.469,27 4.688,28 3.654,29 3.808,30 5.413,31 3.665,32 4.48,33 4.694,34 3.664,35 3.82,36 5.446,37 3.69,38 4.565,39 4.8,40 3.767,41 3.845,42 5.524,43 3.689,44 4.505,45 4.759,46 3.801,47 3.767,48 5.379,49 3.576,50 4.338,51 4.585,52 3.78,53 3.593,54 5.271,55 3.395,56 0.022,57 0.487,58 6.319,59 3.795,60 8.198,61 4.786,62 0.144,63 0.787,64 12.989,65 6.433,66 34.966,67 8.316,68 0.185,69 0.988,70 29.045,71 9.247,72 38.31,73 11.577,74 0.163,75 0.961,76 26.841,77 8.765,78 33.759,79 11.199,80 0.138,81 0.994,82 18.864,83 8.299,84 33.279,85 10.97,86 0.178,87 1.082,88 23.258,89 9.119,90 39.701,91 11.973,92 0.163,93 1,94 28.642,95 9.253,96 32.594,97 11.957,98 0.158,99 0.806,100 37.637,101 8.515,102 24.992,103 10.429,104 16,105 29,106 0.271,107 0.609,108 0.76,109 0.847,110 0.877,111 0.877,112 3.146,113 1.049,114 -4.77,115 -4.68,116 -4.4,117 1,118 45,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 14,219 1,222 4,227 1,229 12,230 1,234 2,239 1,242 8,243 2,247 4,252 2,255 5,256 3,259 3,260 1,264 3,267 1,268 3,270 816,271 14.811,272 14.811,273 14.811,274 14.811,275 14.811,276 12.918,277 7.211,278 9.276,279 15.046,280 11.381,281 11.381,282 11.381,283 11.381,284 11.381,285 8.66,286 2.568,287 4.458,288 11.814,289 3.803,290 1.901,291 1.057,292 0.569,293 0.4,294 0.4,295 3.81,299 1,300 1,301 425,302 3.536,306 163.658,313 1.364,314 16.982,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.25,326 208,327 4.378,328 3.596,329 6.499,330 4.01,331 3.014,332 3.965,333 2.341,334 10.178,335 3.003,336 3.869,337 3.055,338 5.308,339 3.376,340 2.442,341 3.446,343 6.655,344 2.286,345 3.551,346 2.827,347 4.934,348 3.24,349 2.235,350 2.883,352 5.684,353 2.222,354 3.499,355 2.188,356 4.659,357 2.996,358 2.069,359 2.71,361 5.184,362 1.848,363 3.026,364 1.942,365 4.132,366 2.663,367 1.679,368 2.198,370 3.809,371 1.609,372 2.756,373 1.53,374 3.634,375 2.424,376 1.459,377 1.793,379 3.114,380 1.378,381 2.5,382 1.307,383 3.414,384 2.029,385 1.039,386 1.5,388 2.376,389 1.018,390 2.5,391 1,392 3.392,393 2,394 1,395 1.5,397 2.275,398 1,399 2.419,400 1,401 3.247,402 1.956,403 1,404 1.336,406 2.136,407 0.953,408 1.678,409 0.811,410 2.846,411 1.486,412 0.502,413 0.569,415 1.12,416 0.478,417 1.148,418 0.54,419 2.317,420 0.795,421 -0.142,422 -0.164,424 -0.307,425 -0.099,426 0.864,427 0.241,428 2.192,429 0.496,430 -0.396,431 -0.465,433 -0.882,434 -0.319,435 0.603,436 -0.021,437 2,438 0.154,439 -0.822,440 -1.043,442 -1.824,443 -0.753,444 0.5,445 -0.703,446 1.636,448 -1,449 -1.247,451 -2,452 -0.906,453 0.5,454 -0.833,455 1.555,456 -0.009,457 -1,458 -1.439,460 -2.347,461 -0.974,462 11.4,463 0.518,464 0.421,465 0.019,466 27.5,467 1.25,468 15,469 0.682,470 12.5,471 0.568,472 17.996,473 0.818,474 22.8,475 0.57,476 17.15,477 0.78,478 5.23,479 0.238,480 5.434,481 0.247,482 0.175,484 0.219,487 0.722,488 1.06,489 0.51,490 0.812,491 0.703,492 0.875,493 0.461,494 1.094,495 0.603,496 0.909,497 0.401,498 1.015,499 0.873,500 0.921,501 0.911,502 0.917,503 0.888,504 0.962,505 0.786,506 0.973,507 0.781,508 0.94,509 0.798,510 1.005,511 0.734,512 1.063,513 0.366,514 0.836,515 0.796,516 0.999,517 0.784,518 1.045,519 0.507,520 0.848,521 0.752,522 1.009,523 0.663,524 0.992,525 0.859,526 0.925,527 0.597,528 1.004,529 0.711,530 1.033,531 1.675,532 1.272,533 0.619,534 1.089,535 3.5,536 0.083,537 2,538 1.063,539 0.653,540 0.361,541 0.322,542 0.229,543 0.226,544 0.167,545 4751,546 15991,547 1.995,548 45,549 6,550 7,552 2,553 1,554 2,558 1.648,559 1.886,560 3.211,561 -0.354,563 1,567 60.76,568 1.519,569 3.421,570 4.265,571 4.753,572 4.922,573 4.922,574 2.665,575 3.789,576 4.423,577 3.396,578 784.574,579 7.619,580 8974.89,582 1,584 1,585 212.877,586 1.293,587 4.398,588 0.152,589 0.008,590 0.069,591 0.038,592 0.025,593 0.013,594 0.013,595 0.011,596 0.013,597 0.01,598 0.352,599 0.5,600 1,601 1.811,602 102.273,603 -0.054,605 -0.003,606 0.032,607 -0.053,608 0.027,609 0.182,610 -0.057,611 0.012,612 -0.035,613 0.222,614 -0.084,615 -0.087,616 0.048,617 -0.034,618 0.042,619 -0.086,620 0.023,621 -0.069,623 -0.053,624 -0.022,625 -0.081,626 -0.028,627 -0.051,628 -0.07,629 0.012,630 -0.017,631 -0.09,632 -0.054,633 -0.065,634 -0.041,635 0.027,636 0.006,637 -0.058,638 -0.054,639 -0.015,640 -0.013,641 0.033,642 0.033,643 -0.026,644 -0.003,645 0.06,646 -0.089,647 -0.065,648 -0.119,649 0.03,650 -0.035,651 2.399,652 3.543,653 0.545,654 19.653,655 0.998,656 1.112,657 3.541,658 12.542,659 0.703,660 3.178,661 3.401,662 3.555,663 3.738,664 3.932,665 3.871,666 3.932,667 3.932,668 3.85,669 3.664,670 5.83,671 0.655,672 360.27,673 3.178,674 4.654,675 5.442,676 6.267,677 7.083,678 7.918,679 8.748,680 9.59,681 10.427,682 11.273,683 2.5,693 1,699 8,700 1,704 3,706 12,723 1,724 40,726 14,727 1,728 23,729 1,730 41,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,772 18,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,835 1,840 22,845 1,846 4,861 1,862 5,864 1,865 1,869 11.667,870 6.96,871 5.056,872 2.455,874 2.087,875 1.337,876 0.937,877 6.506,878 8.28,879 3.466,880 3.97,881 4.443,882 4.949,883 5.467,884 5.539,885 5.872,886 6.093,887 6.246,888 6.35,889 1,890 28,891 8.087,893 3.254,894 7.822,895 15.47,897 12.136,899 2.322,900 51.083,903 1,904 200.109,905 108.088,906 62.74,908 67.828,911 154.042,912 267.937,913 16.786,915 10.138,916 66.334,917 109.066,918 30.707,920 176.567,921 45.954,922 200.109,923 124.874,924 67.828,926 45.954,927 200.109,928 67.828,931 28.233,932 70.379,933 26.262,934 45.954,935 200.109,936 84.614,937 154.042,940 200.109,941 23.66,942 84.429,943 45.954,944 84.614,945 200.109,946 84.614,947 154.042,949 0.555,950 0.295,951 0.155,952 0.089,953 11,954 5,955 0.171,956 7,958 1,959 3.48,960 154.951,962 12,963 94.107,968 16.602,969 8.622,970 5.515,972 84.614,973 15.75,974 4.188,978 3.251,980 42.683,981 438.765,982 31,987 10.543,989 2.169,991 0.403,994 39.938,995 44.496,996 0.285,997 0.643,998 0.801,999 0.893,1000 0.925,1001 0.925,1002 4.635,1003 1,1004 5.371,1005 2.376,1006 4.078,1007 4.654,1008 2.258,1009 6.066,1010 4.013,1011 5.801,1012 1,1013 6.853,1014 2.275,1015 3.434,1016 4.182,1017 2.243,1018 6.804,1019 3.279,1020 7.062,1021 0.502,1022 8.443,1023 2.136,1024 5.541,1025 6.726,1026 3.628,1027 9.884,1028 5.443,1029 8.36,1030 -0.142,1031 10.103,1032 1.12,1033 5.74,1034 7.068,1035 4.112,1036 11.574,1037 5.594,1038 9.69,1039 -0.396,1040 11.812,1041 -0.307,1042 7.292,1043 9.072,1044 5.201,1045 14.162,1046 7.181,1047 11.045,1048 -0.822,1049 13.558,1050 -0.882,1051 7.923,1052 9.833,1053 5.889,1054 16.235,1055 7.798,1056 12.419,1057 -1,1058 15.332,1059 -1.824,1060 9.221,1061 11.567,1062 6.849,1063 18.657,1064 9.112,1065 3.014,1066 -1,1067 17.128,1068 -2,1069 10.082,1070 12.57,1071 7.625,1072 20.88,1073 9.975,1074 2.442,1075 10.178,1076 18.94,1077 -2.347,1078 11.262,1079 14.15,1080 8.526,1081 23.24,1082 11.163,1083 2.235,1084 6.655,1085 20.765,1086 3.965,1087 12.243,1088 15.299,1089 9.342,1090 25.522,1091 12.15,1092 2.069,1093 5.684,1094 22.6,1095 3.446,1096 13.373,1097 16.791,1098 10.216,1099 27.858,1100 13.283,1101 1.679,1102 5.184,1103 24.442,1104 2.883,1105 14.415,1106 18.029,1107 11.051,1108 30.163,1109 14.33,1110 1.459,1111 3.809,1112 26.291,1113 2.71,1114 15.525,1115 19.469,1116 11.912,1117 32.49,1118 15.441,1119 1.039,1120 3.114,1121 28.145,1122 2.198,1123 16.596,1124 20.761,1125 12.755,1126 34.803,1127 16.516,1128 4859,1129 8992,1130 15.197,1131 28.12,1132 33.395,1133 33.754,1134 33.697,1135 33.143,1136 32.878,1137 43.802,1138 4.682,1139 85.061,1140 31.591,1141 5.236,1142 5.596,1143 6.301,1144 5.046,1145 5.014,1146 6.965,1147 3.925,1148 16.918,1149 5.003,1150 10.659,1151 1.452,1152 1.468,1153 1.465,1154 1.441,1155 1.429,1156 1.904,1157 0.204,1158 3.698,1159 1.374,1160 3.998,1161 4.024,1162 6.88,1163 3.955,1164 7.474,1165 3.945,1166 3.792,1167 3.826,1168 3.918,1169 3.727,1170 6.351,1171 3.715,1172 3.725,1173 3.774,1174 3.667,1175 3.588,1176 4.923,1177 3.578,1178 3.461,1179 3.494,1180 3.593,1181 3.315,1182 4.734,1183 3.312,1184 3.153,1185 3.182,1186 3.336,1187 3.005,1188 4.255,1189 2.997,1190 2.854,1191 2.925,1192 3.002,1193 2.735,1194 3.934,1195 2.715,1196 2.826,1197 2.885,1198 2.687,1199 2.711,1200 3.796,1201 2.654,1202 2.77,1203 2.844,1204 2.639,1205 2.619,1206 3.674,1207 2.618,1208 0.19,1209 0.156,1210 0.283,1211 0.174,1212 0.131,1213 4.378,1214 0.172,1215 3.596,1216 0.102,1217 6.499,1218 0.443,1219 4.01,1220 0.131,1221 3.014,1222 3.965,1223 2.341,1224 10.178,1225 3.003,1226 1.973,1227 1.951,1228 2.067,1229 2.043,1230 1.326,1231 2.055,1232 1.781,1233 1.75,1234 1.942,1235 1.887,1236 1.152,1237 1.908,1238 1.717,1239 1.665,1240 1.883,1241 1.878,1242 0.946,1243 1.889,1244 1.419,1245 1.38,1246 1.637,1247 1.619,1248 0.834,1249 1.62,1250 1.099,1251 1.066,1252 1.303,1253 1.309,1254 0.456,1255 1.305,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.79,1263 0.73,1264 1.092,1265 1.051,1266 0.21,1267 1.068,1268 0.745,1269 0.702,1270 0.994,1271 0.979,1272 0.078,1273 0.996,1274 3.85,1276 5.094,1278 6.526,1280 8.049,1282 9.623,1283 3.45,1289 8.676,1290 2.654,1300 26.217,1301 60.76,1302 136.838,1303 170.612,1304 190.122,1305 196.877,1306 196.877,1307 39.719,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.837,1313 3.907,1314 3.17,1315 42.078,1316 70,1317 86,1318 0.273,1319 171.927,1320 300.18,1321 411.262,1322 3097,1323 2.5,1324 15.786,1325 0.718,1326 0.627,1327 16.786,1328 13.791,1329 10.665,1330 0.464,1331 0.35,1332 7.251,1333 9.868,1334 7.041,1335 5.867,1336 11.242,1337 8.042,1338 9.114,1339 0.314,1340 0.204,1341 9.93,1342 5.922,1343 6.74,1344 0.198,1345 0.113,1346 7.318,1347 3.85,1348 5.242,1349 0.128,1350 0.061,1351 5.575,1352 2.485,1353 4.264,1354 0.085,1355 0.035,1356 4.692,1357 1.771,1358 0.426,1359 74.015,1360 0.257,1361 21.961,1362 0.754,1363 104,1364 306.185,1365 175.687,1366 337.507,1367 436.98,1368 312,1369 115,1370 278.513,1371 147.42,1372 297.724,1373 423.62,1374 280,1375 7.086} {0 CHEMBL101098,1 1.358,2 9.818,3 4.09,4 16.726,5 88.308,6 6.87,7 0.522,8 3.808,9 3.924,10 3.288,11 3.399,12 4.916,13 3.346,14 4.305,15 4.477,16 3.535,17 3.747,18 5.424,19 3.65,20 4.586,21 4.827,22 3.51,23 3.852,24 5.488,25 3.715,26 4.554,27 4.795,28 3.476,29 3.824,30 5.441,31 3.684,32 4.568,33 4.797,34 3.52,35 3.858,36 5.49,37 3.722,38 4.644,39 4.894,40 3.449,41 3.854,42 5.537,43 3.696,44 4.582,45 4.85,46 3.257,47 3.725,48 5.459,49 3.546,50 4.4,51 4.683,52 3.032,53 3.521,54 5.203,55 3.331,56 0.037,57 0.546,58 9.187,59 4.281,60 8.048,61 5.642,62 0.171,63 0.874,64 15.865,65 6.948,66 35.063,67 9.505,68 0.179,69 1.086,70 22.21,71 9.089,72 35.471,73 12.591,74 0.16,75 1.056,76 21.418,77 8.836,78 31.339,79 12.286,80 0.154,81 1.087,82 21.555,83 8.91,84 32.3,85 12.368,86 0.19,87 1.166,88 23.663,89 9.303,90 38.152,91 13.139,92 0.193,93 1.072,94 22.555,95 8.697,96 40.08,97 12.356,98 0.146,99 0.883,100 18.84,101 7.358,102 27.662,103 10.539,104 12,105 28,106 0.238,107 0.557,108 0.721,109 0.84,110 0.878,111 0.878,112 3.145,113 0.998,114 -4.39,115 -4.32,116 -4.08,118 44.2,120 5,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 18,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 4,215 1,218 16,219 1,222 4,227 1,229 13,230 1,234 3,239 1,242 10,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 4,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 5.568,278 9.69,279 15.141,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 1.893,287 4.671,288 11.514,289 4.069,290 2.252,291 1.318,292 0.64,293 0.419,294 0.419,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 15.809,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 216,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.241,349 2.235,350 2.71,352 5.184,353 2.223,354 3.279,355 1.999,356 4.223,357 2.821,358 1.828,359 2.58,361 4.066,362 1.813,363 2.792,364 1.687,365 3.73,366 2.625,367 1.634,368 1.908,370 3.366,371 1.616,372 2.781,373 1.438,374 3.555,375 2.301,376 1.317,377 1.814,379 2.88,380 1.294,381 2.503,382 1.317,383 3.4,384 2.169,385 1.172,386 1.5,388 2.524,389 1.165,390 2.5,391 1,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.956,403 1,404 1.439,406 2.136,407 0.954,408 1.932,409 0.901,410 3,411 1.669,412 0.671,413 0.815,415 1.531,416 0.667,417 1.234,418 0.531,419 2.459,420 1.097,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.254,428 2.198,429 0.448,430 -0.555,431 -0.615,433 -1.223,434 -0.547,435 0.719,436 -0.293,437 1.879,438 0.276,439 -0.705,440 -0.952,442 -1.547,443 -0.689,444 0.5,445 -0.705,446 1.555,447 0.031,448 -1,449 -1.213,451 -2,452 -0.938,453 0.5,454 -0.868,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.974,462 10.567,463 0.48,464 0.315,465 0.014,466 27.5,467 1.25,468 15,469 0.682,470 12.5,471 0.568,472 16.293,473 0.741,474 23.633,475 0.55,476 18.022,477 0.819,478 5.429,479 0.247,480 5.342,481 0.243,482 0.063,484 0.189,487 0.749,488 1.113,489 0.889,490 1.041,491 0.701,492 0.992,493 0.455,494 1.154,495 1.004,496 1.155,497 0.407,498 1.142,499 0.822,500 0.927,501 0.953,502 0.935,503 0.853,504 0.958,505 0.742,506 0.955,507 0.948,508 0.964,509 0.753,510 0.98,511 0.762,512 1.06,513 1.011,514 1.046,515 0.775,516 1.057,517 0.805,518 1.06,519 1.071,520 1.053,521 0.778,522 1.083,523 0.827,524 1.011,525 1.064,526 1.027,527 0.776,528 1.062,529 0.658,530 0.954,531 0.97,532 0.989,533 0.645,534 1.008,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 13821,547 2.022,548 48.8,549 8,550 8,552 2,553 1,554 2,558 1.645,559 1.941,560 3.247,561 -0.399,563 1,567 58.38,568 1.358,569 3.174,570 4.108,571 4.787,572 5.008,573 5.008,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,582 1,584 1,585 233.329,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.67,600 1,601 1.936,602 103.058,603 -0.046,604 -0.003,605 0.009,606 0.035,607 -0.037,608 0.028,609 0.194,610 -0.091,611 -0.092,612 -0.12,613 0.214,614 -0.135,615 -0.058,616 0.047,617 -0.002,618 0.063,619 -0.067,620 0.04,621 -0.04,622 0.02,623 -0.004,624 0.036,625 -0.051,626 0.022,627 -0.053,628 -0.067,629 -0.071,630 -0.044,631 -0.075,632 -0.059,633 -0.072,634 -0.066,635 -0.119,636 -0.079,637 -0.091,638 -0.1,639 -0.067,640 -0.042,641 -0.102,642 -0.064,643 -0.053,644 -0.082,645 -0.007,646 -0.005,647 -0.013,648 -0.024,649 -0.026,650 -0.018,651 2.379,652 3.491,653 0.545,654 20.182,655 0.991,656 1.118,657 3.159,658 9.98,659 0.663,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.621,672 295.41,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 2.3,693 1,699 9,700 1,704 2,706 12,724 43,726 14,727 1,728 23,730 44,731 19,733 11,734 1,735 5,736 2,739 2,740 2,751 5,753 14,754 5,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 22,845 1,846 5,862 4.7,864 1,865 1,869 11.333,870 7.4,871 5.139,872 2.725,874 2.058,875 1.335,876 0.928,877 6.534,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.101,893 3.242,894 7.78,895 15.616,897 12.241,899 2.28,900 50.167,903 1,904 235.422,905 117.044,906 16.786,908 67.828,911 117.044,912 303.25,913 16.786,915 12.673,916 75.81,917 109.066,918 27.652,920 211.88,922 235.422,923 133.83,924 67.828,927 235.422,928 67.828,931 30.767,932 76.8,933 26.262,935 235.422,936 84.614,937 117.044,940 235.422,941 23.139,942 93.905,944 84.614,945 235.422,946 84.614,947 117.044,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.182,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 16.129,969 8.912,970 5.583,972 84.614,973 17.943,974 4.202,978 2.292,980 42.683,981 437.08,982 31,987 10.491,989 2.229,991 0.475,994 42.592,995 48.069,996 0.25,997 0.585,998 0.757,999 0.882,1000 0.923,1001 0.923,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 2.258,1009 5.984,1010 4.028,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 3.628,1027 9.804,1028 5.445,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 5.201,1045 14.116,1046 7.176,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 6.849,1063 18.633,1064 9.103,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 8.526,1081 23.227,1082 11.153,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 10.216,1099 27.849,1100 13.273,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 11.912,1117 32.481,1118 15.431,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 5050,1129 8488,1130 15.485,1131 28.529,1132 32.928,1133 33.228,1134 32.962,1135 32.499,1136 32.478,1137 43.225,1138 4.682,1139 81.215,1140 32.178,1141 5.256,1142 5.596,1143 6.322,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 8.884,1151 1.432,1152 1.445,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.204,1158 3.531,1159 1.399,1160 3.997,1161 4.026,1162 3.939,1163 3.942,1164 7.474,1165 3.938,1166 3.789,1167 3.828,1168 3.716,1169 3.705,1170 6.351,1171 3.703,1172 3.748,1173 3.801,1174 3.614,1175 3.615,1176 4.924,1177 3.604,1178 3.521,1179 3.562,1180 3.406,1181 3.367,1182 4.74,1183 3.366,1184 3.242,1185 3.278,1186 3.129,1187 3.075,1188 4.257,1189 3.08,1190 2.95,1191 3.005,1192 2.781,1193 2.744,1194 3.997,1195 2.747,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.8,1201 2.715,1202 2.772,1203 2.853,1204 2.627,1205 2.625,1206 3.674,1207 2.612,1208 0.19,1209 0.156,1210 0.283,1211 0.174,1212 0.131,1213 4.369,1214 0.171,1215 3.596,1216 0.102,1217 6.498,1218 0.442,1219 4.005,1220 0.13,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.085,1229 2.05,1230 1.359,1231 2.063,1232 1.786,1233 1.749,1234 1.985,1235 1.913,1236 1.171,1237 1.938,1238 1.745,1239 1.691,1240 1.908,1241 1.892,1242 0.985,1243 1.901,1244 1.495,1245 1.448,1246 1.73,1247 1.69,1248 0.918,1249 1.699,1250 1.202,1251 1.161,1252 1.429,1253 1.413,1254 0.589,1255 1.412,1256 0.912,1257 0.859,1258 1.197,1259 1.164,1260 0.348,1261 1.173,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.77,1269 0.704,1270 1.053,1271 0.99,1272 0.113,1273 1.015,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.637,1290 3.898,1300 26.719,1301 58.38,1302 136.484,1303 176.658,1304 205.82,1305 215.329,1306 215.329,1307 39.093,1308 6.151,1309 50.19,1310 50.19,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 169.606,1320 298.2,1321 405.598,1322 3028,1324 15.623,1325 0.71,1326 0.573,1327 15.623,1328 12.612,1329 10.771,1330 0.468,1331 0.333,1332 7.603,1333 10.547,1334 7.438,1335 6.235,1336 10.771,1337 7.649,1338 8.845,1339 0.316,1340 0.186,1341 8.845,1342 5.219,1343 6.58,1344 0.199,1345 0.106,1346 6.58,1347 3.501,1348 5.267,1349 0.132,1350 0.06,1351 5.267,1352 2.386,1353 4.159,1354 0.088,1355 0.034,1356 4.159,1357 1.584,1358 0.411,1359 66.28,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 283.53,1365 107.816,1366 279.576,1367 371.39,1368 260,1369 112,1370 258.779,1371 116.157,1372 265.375,1373 376.12,1374 250,1375 7.187} {0 CHEMBL101542,1 1.399,2 8.15,3 3.177,4 10.096,5 79.106,6 7.226,7 0.571,8 3.671,9 3.779,10 3.197,11 3.274,12 4.835,13 3.233,14 4.14,15 4.296,16 3.453,17 3.613,18 5.339,19 3.533,20 4.4,21 4.62,22 3.425,23 3.711,24 5.381,25 3.595,26 4.361,27 4.58,28 3.388,29 3.679,30 5.329,31 3.56,32 4.378,33 4.583,34 3.436,35 3.717,36 5.405,37 3.603,38 4.472,39 4.713,40 3.353,41 3.721,42 5.395,43 3.574,44 4.42,45 4.687,46 3.202,47 3.572,48 5.325,49 3.411,50 4.231,51 4.503,52 3.071,53 3.248,54 5.359,55 3.129,56 0.027,57 0.465,58 7.407,59 3.559,60 8.142,61 4.545,62 0.149,63 0.736,64 12.678,65 5.689,66 34.079,67 7.589,68 0.157,69 0.91,70 18.049,71 7.467,72 35.653,73 10.063,74 0.137,75 0.879,76 17.244,77 7.21,78 30.875,79 9.763,80 0.127,81 0.907,82 17.223,83 7.26,84 31.18,85 9.782,86 0.136,87 1.005,88 19.505,89 7.86,90 30.037,91 10.997,92 0.119,93 0.932,94 19.095,95 7.471,96 26.084,97 10.609,98 0.115,99 0.731,100 16.377,101 5.94,102 30.473,103 8.23,104 10,105 26,106 0.253,107 0.579,108 0.742,109 0.848,110 0.875,111 0.875,112 3.057,113 0.95,114 -3.92,115 -3.87,116 -3.68,118 45.9,120 3,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 14,169 1,172 3,175 1,177 1,180 16,181 1,186 3,191 1,194 16,195 1,198 3,203 1,206 15,207 1,210 4,215 1,218 14,219 1,222 4,227 1,229 10,230 2,234 4,239 2,242 5,243 3,247 3,248 1,252 3,255 1,256 3,258 1,259 3,262 1,264 3,268 1,270 614,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.789,277 5.568,278 8.69,279 13.727,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.755,286 3.363,287 4.171,288 10.514,289 3.81,290 2.01,291 1.112,292 0.527,293 0.378,294 0.378,295 3.721,298 1,299 1,300 1,301 335,302 3.317,306 144.652,313 1.165,314 15.201,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42.5,326 163,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.023,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.237,349 2.232,350 2.713,352 5.184,353 2.219,354 3.274,355 1.962,356 4.214,357 2.763,358 1.776,359 2.575,361 4.019,362 1.751,363 2.781,364 1.606,365 3.567,366 2.427,367 1.431,368 1.908,370 2.972,371 1.421,372 2.697,373 1.317,374 3.555,375 2.3,376 1.317,377 1.706,379 2.88,380 1.292,381 2.5,382 1.107,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 2.202,400 1,401 3.197,402 1.797,403 0.8,404 1.057,406 1.879,407 0.794,408 1.295,409 0.581,410 2.558,411 1.122,412 0.122,413 0.136,415 0.274,416 0.121,417 0.744,418 0.286,419 2.198,420 0.325,421 -0.681,422 -0.799,424 -1.544,425 -0.664,426 0.719,427 -0.376,428 1.851,429 0.274,430 -0.705,431 -0.952,433 -1.547,434 -0.692,435 0.5,436 -0.705,437 1.555,439 -1,440 -1.335,442 -2,443 -0.963,444 0.5,445 -0.94,446 1.555,447 -0.002,448 -1,449 -1.5,451 -2.347,452 -0.974,453 0.438,454 -1,455 1.134,456 -0.026,457 -1,458 -1.5,460 -2.347,461 -1,462 9.567,463 0.478,464 0.315,465 0.016,466 26.5,467 1.325,468 15,469 0.75,470 11.5,471 0.575,472 13.076,473 0.654,474 21.033,475 0.568,476 17.426,477 0.871,478 5.429,479 0.271,480 4.342,481 0.217,482 0.07,484 0.209,487 0.748,488 1.069,489 0.837,490 0.987,491 0.712,492 0.936,493 0.456,494 1.112,495 0.962,496 1.111,497 0.42,498 1.101,499 0.869,500 0.928,501 0.981,502 0.938,503 0.915,504 0.972,505 0.788,506 0.963,507 0.977,508 0.973,509 0.812,510 0.998,511 0.808,512 1.089,513 1.053,514 1.073,515 0.789,516 1.094,517 0.633,518 1.093,519 1.054,520 1.09,521 0.584,522 1.116,523 0.575,524 1.059,525 0.95,526 1.072,527 0.545,528 1.056,529 0.982,530 1.008,531 0.818,532 1.011,533 0.899,534 0.905,535 2.5,536 0.049,537 1.556,538 1,539 0.462,540 0.194,541 0.199,542 0.26,543 0.164,544 0.089,545 3577,546 10619,547 2.024,548 45.9,549 4,550 8,552 2,553 1,554 2,558 1.622,559 1.935,560 3.033,561 -0.37,563 1,565 1,567 51.776,568 1.399,569 3.199,570 4.097,571 4.682,572 4.831,573 4.831,574 2.423,575 2.904,576 4.288,577 3.203,578 608.602,579 7.352,580 6447.71,581 1,582 1,583 1,584 1,585 192.75,586 1.157,587 4.273,588 0.119,589 0.012,590 0.06,591 0.04,592 0.019,593 0.008,594 0.009,595 0.014,596 0.011,597 0.009,598 0.302,599 0.83,600 1,601 1.629,602 89.008,603 -0.055,604 -0.002,605 0.006,606 0.042,607 -0.061,608 0.031,609 0.198,610 -0.07,611 -0.088,612 -0.105,613 0.205,614 -0.128,615 -0.084,616 0.042,617 -0.039,618 0.056,619 -0.104,620 0.019,621 -0.064,622 0.01,623 -0.043,624 0.022,625 -0.086,626 -0.004,627 -0.082,628 -0.098,629 -0.132,630 -0.081,631 -0.071,632 -0.111,633 -0.038,634 -0.097,635 -0.12,636 -0.117,637 -0.047,638 -0.126,639 0.042,640 -0.091,641 0.013,642 -0.106,643 0.023,644 -0.056,645 0.088,646 -0.076,647 0.217,648 -0.065,649 0.169,650 0.074,651 2.416,652 3.553,653 0.6,654 15.9,655 0.995,656 1.115,657 2.689,658 7.232,659 0.676,660 3.091,661 3.296,662 3.466,663 3.664,664 3.829,665 3.714,666 3.807,667 3.807,668 3.611,669 3.367,670 5.233,671 0.64,672 267.35,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.479,681 10.315,682 11.158,683 2.7,693 1,699 9,700 1,704 2,706 12,724 37,726 14,727 1,728 21,730 38,731 17,733 11,734 1,735 5,736 2,739 2,740 2,751 3,753 14,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 20,845 1,846 3,862 5.4,864 1,865 1,869 10.333,870 6.4,871 4.639,872 2.225,874 2.103,875 1.35,876 0.932,877 5.22,878 8.109,879 3.401,880 3.892,881 4.376,882 4.892,883 5.389,884 5.393,885 5.778,886 6.019,887 6.124,888 6.196,889 1,890 25,891 7.347,893 2.96,894 7.858,895 13.983,897 10.907,899 2.358,900 47.167,901 0.001,904 188.338,905 111.975,906 16.786,908 67.828,911 111.975,912 256.166,913 16.786,915 7.604,916 75.81,917 109.066,918 27.652,920 164.795,922 188.338,923 128.761,924 67.828,927 188.338,928 67.828,931 25.698,932 76.8,933 26.262,935 188.338,936 84.614,937 111.975,940 188.338,941 18.07,942 93.905,944 84.614,945 188.338,946 84.614,947 111.975,949 0.548,950 0.295,951 0.163,952 0.09,953 10,954 4,955 0.158,956 6,958 1,959 3.297,960 136.313,962 12,963 82.439,968 14.168,969 7.369,970 4.428,972 84.614,973 17.577,974 4.153,978 2.171,980 42.683,981 384.926,982 29,987 10.553,989 2.093,991 0.352,994 36.825,995 41.239,996 0.269,997 0.614,998 0.786,999 0.899,1000 0.927,1001 0.927,1002 4.554,1003 1,1004 5.252,1005 2.136,1006 3.97,1007 4.575,1008 2.258,1009 5.943,1010 3.954,1011 5.709,1012 0.8,1013 6.725,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.959,1021 0.122,1022 8.312,1023 1.879,1024 5.416,1025 6.627,1026 3.628,1027 9.793,1028 5.392,1029 8.248,1030 -0.681,1031 9.975,1032 0.274,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.573,1039 -0.705,1040 11.695,1041 -1.544,1042 7.171,1043 8.96,1044 5.201,1045 14.115,1046 7.145,1047 10.924,1048 -1,1049 13.454,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.297,1057 -1,1058 15.242,1059 -2,1060 9.113,1061 11.445,1062 6.849,1063 18.633,1064 9.087,1065 3.006,1066 -1,1067 17.051,1068 -2.347,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.876,1077 -2.347,1078 11.171,1079 14.023,1080 8.526,1081 23.227,1082 11.145,1083 2.232,1084 6.4,1085 20.711,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.776,1093 5.184,1094 22.556,1095 3.298,1096 13.295,1097 16.66,1098 10.216,1099 27.849,1100 13.27,1101 1.431,1102 4.019,1103 24.406,1104 2.713,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 2.972,1112 26.261,1113 2.575,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 3656,1129 6364,1130 14.099,1131 25.006,1132 30.362,1133 30.673,1134 30.457,1135 29.945,1136 29.925,1137 40.671,1138 4.682,1139 76.106,1140 29.625,1141 5.185,1142 5.596,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 8.109,1151 1.446,1152 1.461,1153 1.45,1154 1.426,1155 1.425,1156 1.937,1157 0.223,1158 3.624,1159 1.411,1160 3.995,1161 4.024,1162 3.938,1163 3.941,1164 7.474,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.704,1170 6.351,1171 3.702,1172 3.694,1173 3.738,1174 3.577,1175 3.548,1176 4.924,1177 3.543,1178 3.382,1179 3.409,1180 3.292,1181 3.22,1182 4.74,1183 3.229,1184 3.038,1185 3.074,1186 2.913,1187 2.841,1188 4.239,1189 2.853,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.841,1195 2.715,1196 2.773,1197 2.854,1198 2.628,1199 2.626,1200 3.772,1201 2.613,1202 2.675,1203 2.744,1204 2.538,1205 2.499,1206 3.674,1207 2.505,1208 0.208,1209 0.171,1210 0.309,1211 0.191,1212 0.143,1213 4.369,1214 0.188,1215 3.596,1216 0.111,1217 6.498,1218 0.484,1219 4.005,1220 0.143,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.974,1227 1.95,1228 2.08,1229 2.049,1230 1.281,1231 2.06,1232 1.783,1233 1.748,1234 1.928,1235 1.894,1236 1.114,1237 1.905,1238 1.677,1239 1.628,1240 1.887,1241 1.854,1242 0.934,1243 1.868,1244 1.328,1245 1.295,1246 1.53,1247 1.536,1248 0.672,1249 1.526,1250 0.982,1251 0.943,1252 1.221,1253 1.217,1254 0.352,1255 1.214,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.771,1263 0.705,1264 1.052,1265 0.992,1266 0.111,1267 1.016,1268 0.667,1269 0.594,1270 0.964,1271 0.927,1272 0.018,1273 0.945,1274 3.761,1276 4.99,1278 6.418,1280 7.938,1282 9.51,1289 8.682,1290 1.586,1300 23.665,1301 51.776,1302 118.369,1303 151.589,1304 173.24,1305 178.75,1306 178.75,1307 32.647,1308 6.006,1309 50.19,1310 50.19,1311 12,1312 11.723,1313 3.907,1314 3.17,1315 36.194,1316 57,1317 68,1318 0.29,1319 150.421,1320 263.6,1321 358.787,1322 2411,1324 14.209,1325 0.71,1326 0.56,1327 14.209,1328 11.197,1329 9.771,1330 0.465,1331 0.317,1332 6.603,1333 9.547,1334 6.457,1335 5.402,1336 9.771,1337 6.649,1338 8.138,1339 0.313,1340 0.174,1341 8.138,1342 4.511,1343 6.08,1344 0.196,1345 0.097,1346 6.08,1347 3.001,1348 4.914,1349 0.129,1350 0.054,1351 4.914,1352 2.042,1353 3.913,1354 0.087,1355 0.03,1356 3.913,1357 1.353,1358 0.446,1359 60.28,1360 0.266,1361 20.044,1362 0.821,1363 94,1364 275.53,1365 99.816,1366 271.253,1367 359.87,1368 252,1369 104,1370 250.779,1371 108.157,1372 257.052,1373 364.6,1374 242,1375 7.523} {0 CHEMBL1016,1 1.638,2 11.485,3 4.601,4 21.171,5 122.811,6 8.311,7 0.73,8 4.107,9 4.214,10 3.768,11 3.654,12 5.332,13 3.664,14 4.587,15 4.729,16 4.127,17 4.039,18 5.842,19 4.03,20 4.764,21 4.931,22 4.162,23 4.156,24 5.856,25 4.127,26 4.868,27 5.041,28 4.244,29 4.2,30 6.034,31 4.182,32 4.945,33 5.124,34 4.267,35 4.232,36 6.159,37 4.21,38 4.974,39 5.176,40 4.096,41 4.206,42 6.11,43 4.136,44 4.868,45 5.094,46 3.913,47 4.091,48 5.904,49 3.998,50 4.783,51 5.013,52 3.705,53 3.914,54 5.875,55 3.808,56 0.154,57 0.828,58 8.716,59 4.442,60 13.893,61 5.072,62 0.46,63 1.285,64 16.351,65 7.224,66 44.524,67 8.736,68 0.298,69 1.451,70 21.273,71 9.308,72 32.56,73 11.533,74 0.488,75 1.633,76 23.772,77 9.131,78 39.426,79 11.16,80 0.531,81 1.718,82 26.285,83 9.95,84 55.552,85 12.117,86 0.756,87 1.683,88 29.828,89 11.076,90 80.386,91 13.819,92 0.421,93 1.512,94 27.377,95 10.572,96 45.573,97 13.955,98 0.461,99 1.304,100 26.581,101 10.022,102 64.124,103 12.986,104 15,105 52,106 0.266,107 0.612,108 0.73,109 0.828,110 0.872,111 0.879,112 3.532,113 0.846,114 -5.78,115 -5.64,116 -5.26,118 45.3,119 1,124 2,140 11,141 5,144 1,147 1,150 1,154 1,158 1,162 1,163 1,165 2,167 1,168 16,169 1,171 5,172 7,175 2,177 1,180 18,181 1,186 12,187 1,191 2,194 15,195 1,197 1,198 19,199 1,201 1,203 3,206 11,207 1,209 1,210 17,211 1,213 1,215 4,218 12,219 1,221 1,222 13,225 1,227 4,229 14,230 2,234 10,239 4,242 12,243 3,247 8,252 4,255 7,256 1,258 2,259 6,264 1,267 6,268 1,270 1801,271 22.853,272 22.853,273 22.853,274 22.853,275 22.853,276 19.588,277 14.282,278 13.631,279 23.286,280 18.274,281 18.274,282 18.274,283 18.274,284 18.274,285 13.356,286 18.69,287 6.363,288 18.924,289 4.089,290 1.958,291 1.23,292 0.625,293 0.354,294 0.316,295 4.241,299 1,300 1,301 835,302 3.317,305 155.023,306 297.103,309 140.952,313 1.776,314 30.255,317 0.75,318 0.67,319 1,320 0.6,322 1,323 1,324 0.72,325 72,326 379,327 4.729,328 3.638,329 6.994,330 4.254,331 3.304,332 4.69,333 1.437,334 11.941,335 3.151,336 4.474,337 3.301,338 6.686,339 4.106,340 3.116,341 4.165,342 0.86,343 10.819,344 3.087,345 4.026,346 3.117,347 6.009,348 3.635,349 2.657,350 3.61,351 0.522,352 8.439,353 2.598,354 3.928,355 2.722,356 5.779,357 3.52,358 2.557,359 3.371,361 7.867,362 2.446,363 3.713,364 2.541,365 5.44,366 3.302,367 2.324,368 3.198,370 6.977,371 2.268,372 3.501,373 2.437,374 5.265,375 3.03,376 2.078,377 2.897,379 6.333,380 1.966,381 3.291,382 1.953,383 4.798,384 2.845,385 1.864,386 2.603,388 4.996,389 1.825,390 3.037,391 1.814,392 4.674,393 2.569,394 1.639,395 2.2,397 4.708,398 1.51,399 2.876,400 1.748,401 3.941,402 2.414,403 1.414,404 2.045,406 3.177,407 1.414,408 2.838,409 1.414,410 3.827,411 2.333,412 1.344,413 1.954,415 3.026,416 1.318,417 2.625,418 1.283,419 3.693,420 2.155,421 1.16,422 1.679,424 2.826,425 1.152,426 2.5,427 1.2,428 3.595,429 2,430 1.059,431 1.5,433 2.373,434 1,435 2.337,436 1.021,437 3.414,438 1.998,439 1,440 1.268,442 2.275,443 0.983,444 2.29,445 1,446 3.231,447 1.783,448 0.811,449 1.19,451 1.894,452 0.786,453 2.118,454 0.804,455 3.15,456 1.732,457 0.777,458 0.987,460 1.605,461 0.736,462 15.4,463 0.467,464 0.692,465 0.021,466 47.25,467 1.432,468 26,469 0.788,470 21.25,471 0.644,472 25.032,473 0.759,474 33.8,475 0.638,476 38.138,477 1.156,478 9.622,479 0.292,480 6.53,481 0.198,482 0.076,484 0.351,487 0.743,488 1.014,489 0.688,490 0.946,491 0.717,492 0.837,493 0.63,494 0.892,495 0.767,496 0.886,497 0.456,498 0.864,499 0.853,500 1.125,501 0.823,502 1.044,503 0.694,504 0.957,505 1.034,506 1.112,507 0.979,508 1.008,509 0.904,510 0.979,511 1.108,512 1.087,513 1.041,514 1.078,515 0.96,516 1.042,517 1.066,518 0.983,519 1.166,520 1.034,521 1.028,522 1.108,523 0.827,524 1.005,525 1.071,526 1.133,527 0.735,528 1.146,529 1.062,530 1.043,531 1.147,532 1.193,533 1.431,534 1.205,535 5,536 0.198,537 3.556,538 2.507,539 1.818,540 1.463,541 0.665,542 0.444,543 0.276,544 0.231,545 15803,546 47361,547 2.15,548 37.7,550 15,553 2,555 3,558 1.754,559 2.041,560 3.455,561 0.222,567 86.837,568 1.638,569 3.77,570 4.498,571 5.103,572 5.374,573 5.412,574 2.815,575 4.234,576 5.019,577 3.695,578 1951.21,579 8.794,580 29250.5,582 1,585 303.58,586 1.301,587 4.989,588 0.135,589 0.006,590 0.068,591 0.046,592 0.032,593 0.026,594 0.014,595 0.011,596 0.009,597 0.009,598 0.357,599 0.17,600 0.75,601 0.865,602 174.52,603 0.037,604 0.107,605 0.047,606 0.024,607 -0.069,608 0.027,609 0.234,610 0.185,611 0.058,612 0.085,613 0.202,614 0.039,615 -0.052,616 -0.141,617 0.063,618 -0.026,619 -0.012,620 0.026,621 -0.089,622 -0.068,623 -0.077,624 -0.049,625 -0.052,626 -0.055,627 -0.097,628 -0.064,629 -0.112,630 -0.116,631 0.001,632 -0.109,633 -0.048,634 -0.034,635 -0.175,636 -0.035,637 -0.06,638 -0.111,639 -0.056,640 -0.077,641 -0.07,642 -0.11,643 -0.002,644 -0.092,645 -0.091,646 -0.179,647 -0.087,648 -0.153,649 -0.126,650 -0.13,651 2.668,652 4.819,653 0.788,654 32.836,655 1.015,656 1.123,657 4.547,658 20.677,659 0.693,660 3.638,661 3.97,662 4.304,663 4.635,664 4.868,665 4.97,666 5.118,667 5.204,668 5.283,669 5.412,670 7.268,671 0.678,672 440.5,673 3.638,674 5.187,675 6.061,676 6.959,677 7.856,678 8.762,679 9.666,680 10.574,681 11.481,682 12.391,683 11.3,691 2,693 4,698 2,699 11,700 4,701 1,704 7,705 1,706 27,714 1,722 1,724 53,726 28,727 3,728 37,730 57,731 24,733 20,734 7,735 11,736 1,739 5,740 6,745 1,753 21,754 3,756 1,761 1,765 1,769 1,772 20,773 7,774 2,775 9,778 1,779 6,784 0.8,785 3,801 2,802 3,805 1,830 1,832 4,836 1,840 33,845 1,846 2,848 1,862 5.7,864 1,865 1,867 1,869 16.167,870 9.95,871 7.306,872 3.201,874 5.378,875 1.64,876 1.004,877 5.696,878 13.775,879 3.961,880 4.61,881 5.279,882 5.95,883 6.489,884 6.849,885 7.316,886 7.713,887 8.03,888 8.421,889 1,890 54,891 12.139,893 5.225,894 7.823,895 22.834,897 18.676,899 2.323,900 76.667,903 1,904 211.88,905 147.602,906 85.092,908 78.828,911 147.602,912 290.708,913 85.092,914 8.825,915 6.698,916 104.239,917 135.39,918 54.225,919 2.144,920 211.88,922 211.88,923 232.693,924 78.828,927 178.894,928 114.141,931 40.493,932 123.221,933 66.652,935 211.88,936 163.92,937 147.602,940 211.88,941 34.538,942 114.963,943 16.54,944 145.48,945 211.88,946 163.92,947 147.602,949 0.574,950 0.348,951 0.208,952 0.116,953 26,954 11,955 0.123,956 7,957 1,958 1.077,959 4.359,960 319.431,961 0.077,962 26,963 162.465,968 21.013,969 8.946,970 4.023,971 1.129,972 145.48,973 20.974,974 16.339,975 2.51,978 4.972,979 1.81,980 59.224,981 523.401,982 51.5,987 11.819,991 -1.002,994 53.778,995 59.524,996 0.286,997 0.658,998 0.785,999 0.891,1000 0.938,1001 0.945,1002 5.186,1003 1.639,1004 6.043,1005 4.996,1006 4.654,1007 5.298,1008 1.967,1009 6.895,1010 4.591,1011 6.409,1012 1.414,1013 7.619,1014 4.708,1015 4.205,1016 5.085,1018 7.886,1019 4.106,1020 7.727,1021 1.344,1022 9.302,1023 3.177,1024 6.271,1025 7.57,1026 2.376,1027 11.044,1028 6.148,1029 9.088,1030 1.16,1031 11.051,1032 3.026,1033 6.711,1034 8.262,1036 12.917,1037 6.548,1038 10.486,1039 1.059,1040 12.843,1041 2.826,1042 8.208,1043 10.163,1044 2.967,1045 15.589,1046 8.025,1047 11.91,1048 1,1049 14.664,1050 2.373,1051 9.049,1052 11.285,1054 17.812,1055 8.825,1056 13.356,1057 0.811,1058 16.507,1059 2.275,1060 10.331,1061 12.952,1062 3.635,1063 20.332,1064 10.084,1065 3.304,1066 0.777,1067 18.366,1068 1.894,1069 11.356,1070 14.286,1072 22.695,1073 11.066,1074 3.116,1075 11.941,1076 20.237,1077 1.605,1078 12.559,1079 15.86,1080 4.335,1081 25.169,1082 12.241,1083 2.657,1084 10.819,1085 22.119,1086 4.69,1087 13.665,1088 17.295,1090 27.589,1091 13.307,1092 2.557,1093 8.439,1094 24.008,1095 4.165,1096 14.842,1097 18.835,1098 5.05,1099 30.051,1100 14.452,1101 2.324,1102 7.867,1103 25.905,1104 3.61,1105 15.985,1106 20.32,1108 32.494,1109 15.555,1110 2.078,1111 6.977,1112 27.807,1113 3.371,1114 17.157,1115 21.85,1116 5.77,1117 34.955,1118 16.691,1119 1.864,1120 6.333,1121 29.714,1122 3.198,1123 18.318,1124 23.359,1126 37.41,1127 17.811,1128 14729,1129 25678,1130 25.255,1131 36.727,1132 56.174,1133 56.722,1134 57.254,1135 55.64,1136 55.599,1137 76.769,1138 5.636,1139 161.66,1140 53.831,1141 5.53,1142 5.638,1143 6.757,1144 5.297,1145 5.304,1146 7.69,1147 2.873,1148 19.249,1149 5.151,1150 13.478,1151 1.518,1152 1.533,1153 1.547,1154 1.504,1155 1.503,1156 2.075,1157 0.152,1158 4.369,1159 1.455,1160 4.147,1161 4.18,1162 4.121,1163 4.036,1164 7.475,1165 4.049,1166 4.015,1167 4.049,1168 3.98,1169 3.945,1170 6.351,1171 3.95,1172 3.815,1173 3.87,1174 3.766,1175 3.722,1176 5.269,1177 3.72,1178 3.64,1179 3.715,1180 3.584,1181 3.341,1182 5.055,1183 3.385,1184 3.547,1185 3.592,1186 3.464,1187 3.31,1188 4.788,1189 3.354,1190 3.381,1191 3.442,1192 3.246,1193 3.192,1194 4.576,1195 3.185,1196 3.276,1197 3.283,1198 3.177,1199 3.053,1200 4.514,1201 3.09,1202 3.033,1203 3.083,1204 2.93,1205 2.918,1206 4.126,1207 2.917,1208 0.128,1209 0.098,1210 0.189,1211 0.115,1212 0.089,1213 4.729,1214 0.127,1215 3.638,1216 0.039,1217 6.994,1218 0.323,1219 4.254,1220 0.085,1221 3.304,1222 4.69,1223 1.437,1224 11.941,1225 3.151,1226 2.012,1227 1.991,1228 2.099,1229 2.086,1230 1.261,1231 2.09,1232 1.932,1233 1.912,1234 2.005,1235 2.018,1236 1.156,1237 2.016,1238 1.787,1239 1.758,1240 1.909,1241 1.887,1242 1.023,1243 1.893,1244 1.525,1245 1.47,1246 1.806,1247 1.777,1248 0.94,1249 1.779,1250 1.358,1251 1.286,1252 1.546,1253 1.622,1254 0.711,1255 1.581,1256 1.188,1257 1.131,1258 1.303,1259 1.577,1260 0.316,1261 1.53,1262 1.135,1263 1.118,1264 1.262,1265 1.431,1266 0.287,1267 1.361,1268 1.052,1269 0.917,1270 1.188,1271 1.381,1272 0.218,1273 1.332,1274 4.317,1276 5.645,1277 3.045,1278 7.174,1279 5.352,1280 8.799,1281 7.434,1282 10.477,1284 1.873,1289 9.681,1290 0.848,1292 5.715,1300 35.96,1301 86.837,1302 199.821,1303 238.407,1304 270.46,1305 284.825,1306 286.825,1307 51.422,1308 8.397,1309 118.81,1310 118.81,1311 28,1312 12.907,1313 4.858,1314 3.954,1315 47.84,1316 147,1317 122,1318 0.16,1319 218.718,1320 365.51,1321 525.432,1322 58991,1324 22.786,1325 0.69,1326 0.538,1327 22.786,1328 17.765,1329 16.152,1330 0.437,1331 0.282,1332 10.268,1333 15.452,1334 10.071,1335 8.348,1336 16.152,1337 10.429,1338 14.298,1339 0.275,1340 0.142,1341 14.298,1342 7.37,1343 12.355,1344 0.169,1345 0.073,1346 12.355,1347 5.354,1348 10.982,1349 0.108,1350 0.038,1351 10.982,1352 3.901,1353 8.989,1354 0.07,1355 0.021,1356 8.989,1357 2.698,1358 0.252,1359 101.83,1360 0.199,1361 30.514,1362 0.437,1363 178,1364 558.179,1365 197.433,1366 540.574,1367 749.09,1368 506,1369 214,1370 570.753,1371 233.661,1372 573.551,1373 842.45,1374 540,1375 5.514} {0 CHEMBL101785,1 1.421,2 9.957,3 3.617,4 13.084,5 90.171,6 7.077,7 0.5,8 3.844,9 3.952,10 3.348,11 3.396,12 4.988,13 3.361,14 4.339,15 4.505,16 3.605,17 3.734,18 5.491,19 3.664,20 4.565,21 4.777,22 3.612,23 3.858,24 5.546,25 3.754,26 4.578,27 4.795,28 3.558,29 3.868,30 5.526,31 3.744,32 4.628,33 4.859,34 3.567,35 3.897,36 5.555,37 3.761,38 4.659,39 4.907,40 3.523,41 3.855,42 5.59,43 3.715,44 4.563,45 4.812,46 3.421,47 3.74,48 5.455,49 3.601,50 4.468,51 4.708,52 3.36,53 3.603,54 5.422,55 3.48,56 0.024,57 0.561,58 9.256,59 4.353,60 8.978,61 5.535,62 0.211,63 0.877,64 16.469,65 6.884,66 40.151,67 9.085,68 0.203,69 1.058,70 21.555,71 8.691,72 38.243,73 11.677,74 0.182,75 1.08,76 21.696,77 8.94,78 35.088,79 12.151,80 0.158,81 1.143,82 22.864,83 9.41,84 36.653,85 13.056,86 0.198,87 1.166,88 24.144,89 9.278,90 42.056,91 13.057,92 0.173,93 1.047,94 21.99,95 8.395,96 32.403,97 11.781,98 0.22,99 0.92,100 20.225,101 7.52,102 28.191,103 10.351,104 19,105 30,106 0.248,107 0.596,108 0.767,109 0.844,110 0.871,111 0.871,112 3.187,113 0.959,114 -3.85,115 -3.81,116 -3.62,118 43.2,120 4,123 1,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 5,175 1,177 1,180 15,181 1,186 5,191 1,194 16,195 1,198 4,203 1,206 15,207 1,210 5,215 1,218 13,219 1,222 6,227 1,229 10,230 1,234 4,239 1,242 6,243 2,246 1,247 5,252 2,255 3,256 3,259 4,260 1,264 3,268 3,270 932,271 15.681,272 15.681,273 15.681,274 15.681,275 15.681,276 13.841,277 9.881,278 9.775,279 15.931,280 11.809,281 11.809,282 11.809,283 11.809,284 11.809,285 9.082,286 6.544,287 4.597,288 12.099,289 4.039,290 2.048,291 1.069,292 0.625,293 0.472,294 0.472,295 3.854,298 1,299 1,300 1,301 465,302 3.674,306 172.818,313 1.44,314 18.75,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 49.5,326 229,327 4.379,328 3.596,329 6.499,330 4.013,331 3.015,332 3.968,333 2.341,334 10.18,335 3.007,336 3.903,337 3.046,338 5.398,339 3.464,340 2.504,341 3.468,342 0.86,343 7.006,344 2.405,345 3.551,346 2.788,347 5.118,348 3.24,349 2.235,350 2.916,352 6.068,353 2.222,354 3.529,355 2.193,356 4.659,357 3.08,358 2.113,359 2.71,361 5.184,362 2.034,363 3.049,364 1.947,365 4.152,366 2.685,367 1.693,368 2.223,370 3.845,371 1.675,372 2.756,373 1.546,374 3.636,375 2.442,376 1.47,377 1.795,379 3.119,380 1.425,381 2.5,382 1.307,383 3.414,384 2.04,385 1.05,386 1.5,388 2.391,389 1.035,390 2.5,391 1.099,392 3.401,393 2,394 1,395 1.5,397 2.275,398 1,399 2.425,400 1,401 3.247,402 1.956,403 1,404 1.346,406 2.136,407 0.953,408 1.75,409 1,410 2.9,411 1.559,412 0.616,413 0.674,415 1.209,416 0.571,417 1.569,418 0.735,419 2.663,420 1.289,421 0.367,422 0.425,424 0.63,425 0.338,426 0.962,427 0.447,428 2.192,429 0.743,430 -0.25,431 -0.272,433 -0.528,434 -0.245,435 0.761,436 0.053,437 2.179,438 0.368,439 -0.585,440 -0.734,442 -1.185,443 -0.551,444 0.591,445 -0.302,446 2,447 0.147,448 -0.842,449 -1.047,451 -1.858,452 -0.807,453 0.5,454 -0.703,455 1.555,457 -1,458 -1.319,460 -2,461 -0.967,462 10.9,463 0.474,464 0.383,465 0.017,466 29,467 1.261,468 15.5,469 0.674,470 13.5,471 0.587,472 17.012,473 0.74,474 25.1,475 0.57,476 20.308,477 0.883,478 5.914,479 0.257,480 5.289,481 0.23,482 0.107,484 0.229,487 0.796,488 1.181,489 0.853,490 1.103,491 0.721,492 1.006,493 0.777,494 1.046,495 0.956,496 1.032,497 0.478,498 1.021,499 0.913,500 0.953,501 0.979,502 0.956,503 0.912,504 0.977,505 0.77,506 1.03,507 1.029,508 1.047,509 0.801,510 1.076,511 0.598,512 1.079,513 0.975,514 1.073,515 0.741,516 1.083,517 0.698,518 1.04,519 0.985,520 1.029,521 0.724,522 1.043,523 0.728,524 1.05,525 0.985,526 1.057,527 0.625,528 1.055,529 0.898,530 1.038,531 0.984,532 1.064,533 0.657,534 1.042,535 3.5,536 0.095,537 2,538 1.063,539 0.693,540 0.424,541 0.322,542 0.229,543 0.226,544 0.177,545 5364,546 16068,547 1.995,548 47.7,549 6,550 10,552 2,553 1,554 2,558 1.66,559 1.89,560 3.282,561 -0.369,563 1,565 1,567 62.511,568 1.421,569 3.412,570 4.391,571 4.834,572 4.988,573 4.988,574 2.72,575 4.002,576 4.486,577 3.464,578 876.46,579 7.747,580 10381.5,582 1,584 1,585 240.215,586 1.264,587 4.465,588 0.146,589 0.007,590 0.067,591 0.035,592 0.025,593 0.015,594 0.012,595 0.01,596 0.011,597 0.009,598 0.338,599 0.5,600 1,601 1.87,602 108.836,603 -0.041,604 -0.055,605 0.019,606 -0.011,607 -0.049,608 0.008,609 0.079,610 0.019,611 -0.036,612 0.003,613 0.191,614 -0.027,615 -0.091,616 0.046,617 -0.038,618 0.057,619 -0.089,620 0.023,621 -0.074,622 -0.031,623 -0.106,624 -0.029,625 -0.096,626 -0.067,627 -0.019,628 -0.082,629 -0.059,630 -0.06,631 -0.073,632 -0.067,633 -0.032,634 -0.044,635 -0.043,636 -0.048,637 -0.036,638 -0.046,639 -0.022,640 -0.062,641 -0.037,642 -0.08,643 -0.031,644 -0.061,645 0.033,646 -0.073,647 -0.006,648 -0.094,649 0.009,650 -0.063,651 2.406,652 3.564,653 0.522,654 22.329,655 0.998,656 1.12,657 2.619,658 6.861,659 0.659,660 3.219,661 3.434,662 3.611,663 3.784,664 3.97,665 3.951,666 4.043,667 4.043,668 3.97,669 3.807,670 6.064,671 0.623,672 311.41,673 3.219,674 4.691,675 5.485,676 6.308,677 7.127,678 7.962,679 8.794,680 9.637,681 10.477,682 11.324,683 2.3,693 1,699 8,700 1,704 3,706 12,722 1,724 44,726 14,727 1,728 24,730 45,731 19,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 5,756 2,761 1,763 1,765 2,768 1,769 1,772 21,773 4,774 1,775 4,779 1,784 1,785 3,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 23,845 1,846 4,848 1,862 6.8,864 1,865 1,867 1,869 12.167,870 7.983,871 5.389,872 2.628,874 2.091,875 1.332,876 0.919,877 6.673,878 8.386,879 3.497,880 3.989,881 4.477,882 4.98,883 5.495,884 5.603,885 5.967,886 6.167,887 6.327,888 6.448,889 0.857,890 30,891 8.451,893 3.374,894 7.841,895 16.108,897 12.461,899 2.341,900 53.833,903 1,904 235.422,905 121.16,906 16.786,908 78.828,911 121.16,912 314.25,913 16.786,914 10.883,915 10.138,916 66.334,917 109.066,918 43.895,920 211.88,922 235.422,923 137.945,924 78.828,927 235.422,928 78.828,931 28.233,932 83.451,933 26.262,935 235.422,936 95.614,937 121.16,940 235.422,941 25.848,942 95.312,944 95.614,945 235.422,946 95.614,947 121.16,949 0.55,950 0.303,951 0.158,952 0.087,953 11,954 5,955 0.178,956 8,958 1,959 3.572,960 164.673,962 12,963 100.042,968 17.074,969 8.989,970 5.443,972 95.614,973 15.449,974 4.189,978 2.966,980 42.683,981 452.196,982 32,987 10.564,989 2.153,991 0.368,994 43.92,995 49.279,996 0.26,997 0.625,998 0.804,999 0.885,1000 0.914,1001 0.914,1002 4.663,1003 1,1004 5.407,1005 2.391,1006 4.111,1007 4.673,1008 2.402,1009 6.107,1010 4.071,1011 5.822,1012 1,1013 6.893,1014 2.275,1015 3.434,1016 4.182,1017 2.243,1018 6.862,1019 3.386,1020 7.081,1021 0.616,1022 8.485,1023 2.136,1024 5.58,1025 6.742,1026 3.657,1027 9.932,1028 5.516,1029 8.38,1030 0.367,1031 10.148,1032 1.209,1033 5.771,1034 7.087,1035 4.112,1036 11.623,1037 5.704,1038 9.711,1039 -0.25,1040 11.859,1041 0.63,1042 7.334,1043 9.09,1044 5.206,1045 14.199,1046 7.257,1047 11.068,1048 -0.585,1049 13.606,1050 -0.528,1051 7.962,1052 9.856,1053 5.889,1054 16.266,1055 7.888,1056 12.444,1057 -0.842,1058 15.379,1059 -1.185,1060 9.261,1061 11.585,1062 6.849,1063 18.679,1064 9.182,1065 3.015,1066 -1,1067 17.172,1068 -1.858,1069 10.121,1070 12.593,1071 7.625,1072 20.898,1073 10.046,1074 2.504,1075 10.18,1076 18.982,1077 -2,1078 11.3,1079 14.17,1080 8.526,1081 23.253,1082 11.223,1083 2.235,1084 7.006,1085 20.803,1086 3.968,1087 12.279,1088 15.322,1089 9.342,1090 25.532,1091 12.207,1092 2.113,1093 6.068,1094 22.634,1095 3.468,1096 13.406,1097 16.811,1098 10.216,1099 27.866,1100 13.334,1101 1.693,1102 5.184,1103 24.473,1104 2.916,1105 14.446,1106 18.051,1107 11.051,1108 30.169,1109 14.378,1110 1.47,1111 3.845,1112 26.319,1113 2.71,1114 15.554,1115 19.489,1116 11.912,1117 32.495,1118 15.485,1119 1.05,1120 3.119,1121 28.169,1122 2.223,1123 16.623,1124 20.782,1125 12.755,1126 34.808,1127 16.558,1128 5496,1129 9582,1130 15.89,1131 28.983,1132 34.489,1133 35.069,1134 35.174,1135 34.085,1136 34.124,1137 45.05,1138 6.402,1139 88.083,1140 33.33,1141 5.237,1142 5.596,1143 6.301,1144 5.048,1145 5.015,1146 6.968,1147 3.925,1148 16.921,1149 5.007,1150 11.084,1151 1.437,1152 1.461,1153 1.466,1154 1.42,1155 1.422,1156 1.877,1157 0.267,1158 3.67,1159 1.389,1160 4.001,1161 4.027,1162 3.948,1163 3.942,1164 7.474,1165 3.94,1166 3.799,1167 3.833,1168 3.736,1169 3.706,1170 6.351,1171 3.708,1172 3.725,1173 3.774,1174 3.599,1175 3.586,1176 4.937,1177 3.578,1178 3.47,1179 3.502,1180 3.371,1181 3.306,1182 4.837,1183 3.312,1184 3.259,1185 3.313,1186 3.113,1187 3.012,1188 4.426,1189 3.028,1190 3.095,1191 3.146,1192 2.921,1193 2.873,1194 4.173,1195 2.872,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.894,1201 2.715,1202 2.813,1203 2.879,1204 2.639,1205 2.624,1206 3.789,1207 2.62,1208 0.182,1209 0.15,1210 0.271,1211 0.167,1212 0.126,1213 4.379,1214 0.165,1215 3.596,1216 0.098,1217 6.499,1218 0.424,1219 4.013,1220 0.125,1221 3.015,1222 3.968,1223 2.341,1224 10.18,1225 3.007,1226 1.972,1227 1.95,1228 2.074,1229 2.052,1230 1.326,1231 2.06,1232 1.782,1233 1.75,1234 1.95,1235 1.904,1236 1.148,1237 1.914,1238 1.717,1239 1.665,1240 1.897,1241 1.886,1242 0.943,1243 1.897,1244 1.423,1245 1.384,1246 1.646,1247 1.631,1248 0.834,1249 1.63,1250 1.199,1251 1.138,1252 1.563,1253 1.502,1254 0.578,1255 1.52,1256 1.06,1257 1.004,1258 1.303,1259 1.295,1260 0.443,1261 1.294,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.79,1269 0.729,1270 1.092,1271 1.048,1272 0.206,1273 1.065,1274 3.892,1276 5.13,1278 6.564,1280 8.089,1282 9.665,1284 1.648,1289 8.692,1290 2.6,1292 5.203,1300 27.434,1301 62.511,1302 150.122,1303 193.195,1304 212.705,1305 219.46,1306 219.46,1307 42.465,1308 6.295,1309 59.42,1310 59.42,1311 12,1312 11.886,1313 3.907,1314 3.17,1315 45.106,1316 76,1317 93,1318 0.269,1319 173.602,1320 306.99,1321 415.349,1322 3542,1324 16.493,1325 0.717,1326 0.575,1327 16.493,1328 13.236,1329 11.203,1330 0.467,1331 0.32,1332 7.584,1333 10.822,1334 7.383,1335 6.194,1336 11.203,1337 7.672,1338 9.283,1339 0.309,1340 0.174,1341 9.283,1342 5.228,1343 7.149,1344 0.199,1345 0.099,1346 7.149,1347 3.567,1348 5.553,1349 0.129,1350 0.055,1351 5.553,1352 2.362,1353 4.374,1354 0.084,1355 0.03,1356 4.374,1357 1.56,1358 0.421,1359 69.986,1360 0.251,1361 22.859,1362 0.742,1363 108,1364 335.266,1365 116.694,1366 321.715,1367 425.98,1368 300,1369 120,1370 295.325,1371 126.814,1372 301.752,1373 427.86,1374 282,1375 7.097} {0 CHEMBL101812,1 1.292,2 13.077,3 5.915,4 34.982,5 106.712,6 6.391,7 0.444,8 4.036,9 4.163,10 3.449,11 3.611,12 5.059,13 3.541,14 4.572,15 4.763,16 3.68,17 3.972,18 5.575,19 3.849,20 4.878,21 5.144,22 3.661,23 4.086,24 5.672,25 3.92,26 4.854,27 5.121,28 3.632,29 4.064,30 5.634,31 3.895,32 4.864,33 5.123,34 3.67,35 4.091,36 5.674,37 3.926,38 4.921,39 5.194,40 3.609,41 4.087,42 5.713,43 3.904,44 4.875,45 5.161,46 3.448,47 3.987,48 5.632,49 3.784,50 4.74,51 5.034,52 3.27,53 3.827,54 5.481,55 3.618,56 0.056,57 0.706,58 12.604,59 5.703,60 9.443,61 7.767,62 0.209,63 1.142,64 21.796,65 9.375,66 36.709,67 13.129,68 0.215,69 1.424,70 29.726,71 12.159,72 35.56,73 17.243,74 0.198,75 1.395,76 28.948,77 11.912,78 32.293,79 16.93,80 0.196,81 1.428,82 29.28,83 12.012,84 33.473,85 17.088,86 0.228,87 1.497,88 31.118,89 12.315,90 38.352,91 17.744,92 0.227,93 1.396,94 29.71,95 11.645,96 37.802,97 16.824,98 0.205,99 1.198,100 25.974,101 10.175,102 33.747,103 14.651,104 16,105 32,106 0.215,107 0.498,108 0.642,109 0.765,110 0.838,111 0.873,112 3.302,113 1.072,114 -5.27,115 -5.16,116 -4.83,118 41.8,120 9,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 20,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 22,195 1,198 3,203 1,206 21,207 1,210 4,215 1,218 20,219 1,222 4,227 1,229 17,230 1,234 3,239 1,242 14,243 1,247 2,252 1,255 12,256 1,259 2,264 1,267 11,268 1,270 1236,271 17.899,272 17.899,273 17.899,274 17.899,275 17.899,276 16.031,277 5.568,278 11.69,279 17.969,280 13.415,281 13.415,282 13.415,283 13.415,284 13.415,285 10.755,286 1.893,287 5.671,288 13.514,289 4.49,290 2.792,291 1.929,292 1.191,293 0.755,294 0.545,295 3.976,300 1,301 701,302 4.123,306 207.726,313 1.994,314 16.522,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 54.5,326 340,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.242,349 2.236,350 2.71,352 5.184,353 2.224,354 3.28,355 2.017,356 4.224,357 2.911,358 1.912,359 2.58,361 4.086,362 1.909,363 2.904,364 1.844,365 3.89,366 2.755,367 1.765,368 1.915,370 3.729,371 1.746,372 2.781,373 1.64,374 3.641,375 2.573,376 1.578,377 1.908,379 3.21,380 1.568,381 2.71,382 1.431,383 3.555,384 2.301,385 1.317,386 1.717,388 2.88,389 1.295,390 2.5,391 1.317,392 3.403,393 2.244,394 1.247,395 1.5,397 2.606,398 1.241,399 2.5,400 1.059,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.479,409 1,410 3.247,411 1.957,412 1,413 1.431,415 2.136,416 0.954,417 2.104,418 1,419 3.121,420 1.876,421 0.878,422 1.029,424 1.929,425 0.874,426 1.638,427 0.698,428 2.742,429 1.502,430 0.503,431 0.559,433 1.095,434 0.501,435 1.168,436 0.457,437 2.337,438 1.069,439 0.068,440 0.072,442 0.146,443 0.068,444 0.813,445 0.203,446 2.198,447 0.605,448 -0.396,449 -0.42,451 -0.845,452 -0.393,453 0.719,454 -0.204,455 1.912,456 0.278,457 -0.705,458 -0.897,460 -1.547,461 -0.688,462 12.567,463 0.483,464 0.315,465 0.012,466 29.5,467 1.135,468 15,469 0.577,470 14.5,471 0.558,472 23.116,473 0.889,474 28.833,475 0.524,476 18.981,477 0.73,478 5.429,479 0.209,480 7.342,481 0.282,482 0.053,484 0.159,487 0.757,488 1.179,489 0.974,490 1.121,491 0.691,492 1.077,493 0.465,494 1.216,495 1.071,496 1.218,497 0.394,498 1.202,499 0.769,500 0.931,501 0.93,502 0.937,503 0.781,504 0.949,505 0.693,506 0.952,507 0.926,508 0.958,509 0.686,510 0.965,511 0.713,512 1.031,513 0.973,514 1.019,515 0.707,516 1.022,517 0.764,518 1.034,519 1.022,520 1.026,521 0.724,522 1.043,523 0.774,524 0.995,525 1.014,526 1.005,527 0.749,528 1.026,529 0.809,530 0.939,531 0.985,532 0.965,533 0.812,534 0.987,535 2.5,536 0.058,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.09,544 0.071,545 8895,546 21985,547 2.018,548 52.7,549 16,550 8,552 2,553 1,554 2,558 1.685,559 1.95,560 3.603,561 -0.446,567 71.051,568 1.292,569 2.989,570 3.853,571 4.591,572 5.027,573 5.236,574 3.009,575 3.777,576 4.666,577 3.866,578 1256.57,579 8.056,580 17546.5,585 317.975,586 0.991,587 4.662,588 0.093,589 0.004,590 0.049,591 0.032,592 0.015,593 0.008,594 0.009,595 0.007,596 0.005,597 0.004,598 0.225,599 0.5,600 0.88,601 2.454,602 132.541,603 -0.034,604 -0.005,605 0.012,606 0.027,607 -0.007,608 0.022,609 0.182,610 -0.122,611 -0.107,612 -0.142,613 0.22,614 -0.15,615 -0.031,616 0.046,617 0.027,618 0.062,619 -0.028,620 0.051,621 -0.016,622 0.027,623 0.026,624 0.043,625 -0.016,626 0.038,627 -0.024,628 -0.036,629 -0.019,630 -0.012,631 -0.032,632 -0.016,633 -0.045,634 -0.043,635 -0.065,636 -0.046,637 -0.053,638 -0.056,639 -0.042,640 -0.029,641 -0.059,642 -0.04,643 -0.057,644 -0.049,645 -0.038,646 0.006,647 -0.03,648 -0.007,649 -0.061,650 -0.016,651 2.348,652 3.457,653 0.462,654 29.964,655 0.984,656 1.122,657 4.043,658 16.348,659 0.647,660 3.332,661 3.497,662 3.638,663 3.807,664 3.951,665 3.85,666 3.912,667 3.892,668 3.784,669 3.664,670 7.89,671 0.597,672 351.53,673 3.332,674 4.779,675 5.549,676 6.347,677 7.143,678 7.956,679 8.767,680 9.59,681 10.411,682 11.241,683 1.8,693 1,699 9,700 1,704 2,706 12,724 55,726 14,727 1,728 27,730 56,731 23,733 11,734 1,735 5,736 2,739 2,740 2,751 9,753 14,754 9,756 2,761 1,763 1,765 2,772 29,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 26,845 1,846 9,862 3.6,864 1,865 1,869 13.333,870 9.4,871 6.139,872 3.725,874 1.976,875 1.308,876 0.922,877 9.388,878 8.385,879 3.584,880 4.007,881 4.449,882 4.936,883 5.416,884 5.411,885 5.781,886 5.989,887 6.095,888 6.167,889 1,890 31,891 9.612,893 3.811,894 7.66,895 18.881,897 14.907,899 2.16,900 56.167,904 329.591,905 127.182,906 16.786,908 67.828,911 127.182,912 397.419,913 16.786,915 22.811,916 75.81,917 109.066,918 27.652,920 306.049,922 329.591,923 143.968,924 67.828,927 329.591,928 67.828,931 40.906,932 76.8,933 26.262,935 329.591,936 84.614,937 127.182,940 329.591,941 33.277,942 93.905,944 84.614,945 329.591,946 84.614,947 127.182,949 0.537,950 0.285,951 0.154,952 0.084,953 10,954 4,955 0.214,956 12,958 1,959 4.04,960 183.909,962 12,963 118.211,968 20.07,969 12.162,970 8.131,972 84.614,973 18.318,974 4.258,978 2.399,980 42.683,981 541.387,982 35,987 10.457,989 2.333,991 0.576,994 54.127,995 61.73,996 0.223,997 0.517,998 0.666,999 0.794,1000 0.869,1001 0.906,1002 4.727,1003 1.247,1004 5.425,1005 2.88,1006 4.174,1007 4.691,1008 2.258,1009 6.061,1010 4.161,1011 5.839,1012 1,1013 6.86,1014 2.606,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.062,1021 1,1022 8.41,1023 2.136,1024 5.565,1025 6.674,1026 3.628,1027 9.825,1028 5.544,1029 8.325,1030 0.878,1031 10.043,1032 2.136,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.63,1039 0.503,1040 11.74,1041 1.929,1042 7.259,1043 8.976,1044 5.201,1045 14.12,1046 7.235,1047 10.966,1048 0.068,1049 13.483,1050 1.095,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.327,1057 -0.396,1058 15.26,1059 0.146,1060 9.158,1061 11.45,1062 6.849,1063 18.634,1064 9.133,1065 3.006,1066 -0.705,1067 17.063,1068 -0.845,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.883,1077 -1.547,1078 11.192,1079 14.024,1080 8.526,1081 23.227,1082 11.167,1083 2.236,1084 6.4,1085 20.716,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.912,1093 5.184,1094 22.558,1095 3.298,1096 13.304,1097 16.66,1098 10.216,1099 27.849,1100 13.279,1101 1.765,1102 4.086,1103 24.408,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.578,1111 3.729,1112 26.262,1113 2.58,1114 15.46,1115 19.335,1116 11.912,1117 32.481,1118 15.434,1119 1.317,1120 3.21,1121 28.12,1122 1.915,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 8950,1129 14160,1130 18.257,1131 35.574,1132 37.991,1133 38.339,1134 38.058,1135 37.601,1136 37.579,1137 48.326,1138 4.682,1139 91.419,1140 37.279,1141 5.314,1142 5.596,1143 6.422,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 10.271,1151 1.407,1152 1.42,1153 1.41,1154 1.393,1155 1.392,1156 1.79,1157 0.173,1158 3.386,1159 1.381,1160 3.999,1161 4.029,1162 3.94,1163 3.944,1164 7.474,1165 3.939,1166 3.803,1167 3.86,1168 3.716,1169 3.708,1170 6.351,1171 3.703,1172 3.787,1173 3.827,1174 3.653,1175 3.678,1176 4.924,1177 3.663,1178 3.665,1179 3.72,1180 3.527,1181 3.529,1182 4.74,1183 3.517,1184 3.488,1185 3.538,1186 3.354,1187 3.336,1188 4.27,1189 3.33,1190 3.282,1191 3.331,1192 3.145,1193 3.121,1194 4.144,1195 3.119,1196 3.065,1197 3.122,1198 2.895,1199 2.879,1200 3.927,1201 2.875,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.799,1207 2.715,1208 0.162,1209 0.133,1210 0.241,1211 0.148,1212 0.111,1213 4.369,1214 0.146,1215 3.596,1216 0.087,1217 6.498,1218 0.377,1219 4.005,1220 0.111,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.091,1229 2.051,1230 1.423,1231 2.064,1232 1.81,1233 1.757,1234 2.042,1235 1.962,1236 1.284,1237 1.993,1238 1.78,1239 1.74,1240 1.929,1241 1.893,1242 1.159,1243 1.904,1244 1.669,1245 1.613,1246 1.899,1247 1.842,1248 1.01,1249 1.867,1250 1.477,1251 1.424,1252 1.733,1253 1.671,1254 0.929,1255 1.69,1256 1.262,1257 1.211,1258 1.522,1259 1.47,1260 0.746,1261 1.485,1262 1.046,1263 0.988,1264 1.327,1265 1.274,1266 0.51,1267 1.29,1268 0.886,1269 0.821,1270 1.181,1271 1.096,1272 0.342,1273 1.122,1274 4.007,1276 5.209,1278 6.597,1280 8.078,1282 9.616,1289 8.613,1290 9.213,1300 32.826,1301 71.051,1302 164.394,1303 211.901,1304 252.491,1305 276.465,1306 287.975,1307 53.696,1308 6.409,1309 50.19,1310 50.19,1311 12,1312 11.817,1313 3.907,1314 3.17,1315 55.47,1316 120,1317 134,1318 0.214,1319 207.975,1320 367.4,1321 499.219,1322 4654,1324 18.452,1325 0.71,1326 0.594,1327 18.452,1328 15.44,1329 12.771,1330 0.473,1331 0.357,1332 9.603,1333 12.547,1334 9.398,1335 7.902,1336 12.771,1337 9.649,1338 10.26,1339 0.321,1340 0.207,1341 10.26,1342 6.633,1343 7.58,1344 0.205,1345 0.122,1346 7.58,1347 4.501,1348 5.974,1349 0.136,1350 0.07,1351 5.974,1352 3.093,1353 4.659,1354 0.091,1355 0.041,1356 4.659,1357 2.084,1358 0.354,1359 78.28,1360 0.234,1361 26.212,1362 0.542,1363 118,1364 299.53,1365 123.816,1366 296.222,1367 394.43,1368 276,1369 128,1370 274.779,1371 132.157,1372 282.022,1373 399.16,1374 266,1375 7.26} {0 CHEMBL101813,1 1.322,2 11.458,3 5.002,4 25.022,5 97.51,6 6.601,7 0.48,8 3.928,9 4.051,10 3.372,11 3.511,12 4.99,13 3.449,14 4.447,15 4.63,16 3.61,17 3.866,18 5.503,19 3.755,20 4.743,21 4.998,22 3.588,23 3.976,24 5.584,25 3.823,26 4.715,27 4.971,28 3.557,29 3.951,30 5.542,31 3.795,32 4.727,33 4.973,34 3.598,35 3.981,36 5.587,37 3.829,38 4.792,39 5.055,40 3.532,41 3.977,42 5.629,43 3.805,44 4.739,45 5.018,46 3.357,47 3.864,48 5.541,49 3.672,50 4.584,51 4.869,52 3.161,53 3.682,54 5.374,55 3.485,56 0.047,57 0.627,58 10.915,59 4.995,60 8.901,61 6.714,62 0.191,63 1.009,64 18.888,65 8.173,66 36.203,67 11.344,68 0.198,69 1.257,70 26.068,71 10.645,72 35.837,73 14.967,74 0.18,75 1.227,76 25.284,77 10.396,78 32.238,79 14.658,80 0.176,81 1.259,82 25.533,83 10.486,84 33.364,85 14.783,86 0.21,87 1.333,88 27.492,89 10.828,90 38.715,91 15.491,92 0.211,93 1.235,94 26.215,95 10.185,96 38.511,97 14.631,98 0.19,99 1.036,100 22.511,101 8.713,102 34.381,103 12.471,104 14,105 30,106 0.226,107 0.527,108 0.683,109 0.809,110 0.868,111 0.882,112 3.227,113 1.038,114 -4.84,115 -4.75,116 -4.46,118 42.9,120 7,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 20,181 1,186 3,191 1,194 20,195 1,198 3,203 1,206 19,207 1,210 4,215 1,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 1,247 2,252 1,255 10,256 1,259 2,264 1,267 9,268 1,270 1022,271 16.485,272 16.485,273 16.485,274 16.485,275 16.485,276 14.617,277 5.568,278 10.69,279 16.555,280 12.415,281 12.415,282 12.415,283 12.415,284 12.415,285 9.755,286 1.893,287 5.171,288 12.514,289 4.293,290 2.526,291 1.615,292 0.878,293 0.531,294 0.449,295 3.898,299 1,300 1,301 567,302 3.873,306 186.353,313 1.715,314 16.227,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 50.5,326 275,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.242,349 2.236,350 2.71,352 5.184,353 2.224,354 3.28,355 2.012,356 4.224,357 2.874,358 1.877,359 2.58,361 4.08,362 1.87,363 2.861,364 1.775,365 3.833,366 2.707,367 1.719,368 1.908,370 3.596,371 1.697,372 2.781,373 1.572,374 3.555,375 2.423,376 1.425,377 1.877,379 2.926,380 1.419,381 2.631,382 1.317,383 3.526,384 2.3,385 1.317,386 1.616,388 2.88,389 1.293,390 2.5,391 1.225,392 3.261,393 2,394 1,395 1.5,397 2.196,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.996,408 2.287,409 1,410 3.247,411 1.956,412 1,413 1.207,415 2.136,416 0.953,417 1.757,418 0.779,419 2.852,420 1.575,421 0.576,422 0.663,424 1.28,425 0.573,426 1.195,427 0.491,428 2.389,429 1.081,430 0.08,431 0.086,433 0.173,434 0.08,435 0.794,436 0.226,437 2.198,438 0.539,439 -0.463,440 -0.499,442 -1.001,443 -0.459,444 0.719,445 -0.24,446 1.898,447 0.277,448 -0.705,449 -0.952,451 -1.547,452 -0.688,453 0.503,454 -0.705,455 1.555,456 0.107,457 -0.9,458 -1.046,460 -1.963,461 -0.875,462 11.567,463 0.482,464 0.315,465 0.013,466 28.5,467 1.188,468 15,469 0.625,470 13.5,471 0.563,472 19.646,473 0.819,474 26.233,475 0.535,476 18.533,477 0.772,478 5.429,479 0.226,480 6.342,481 0.264,482 0.058,484 0.173,487 0.752,488 1.149,489 0.935,490 1.085,491 0.695,492 1.039,493 0.459,494 1.188,495 1.04,496 1.19,497 0.399,498 1.175,499 0.791,500 0.928,501 0.938,502 0.936,503 0.811,504 0.952,505 0.713,506 0.952,507 0.933,508 0.96,509 0.714,510 0.97,511 0.733,512 1.043,513 0.987,514 1.029,515 0.735,516 1.036,517 0.781,518 1.045,519 1.042,520 1.037,521 0.747,522 1.059,523 0.796,524 1.001,525 1.033,526 1.013,527 0.777,528 1.04,529 0.849,530 0.939,531 1.006,532 0.969,533 0.86,534 0.997,535 2.5,536 0.041,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.09,544 0.051,545 6733,546 17599,547 2.02,548 51,549 12,550 8,552 2,553 1,554 2,558 1.666,559 1.946,560 3.435,561 -0.424,567 64.786,568 1.322,569 3.089,570 4,571 4.737,572 5.084,573 5.166,574 2.836,575 3.403,576 4.55,577 3.676,578 1014.61,579 7.839,580 12942.9,582 1,585 275.121,586 1.041,587 4.543,588 0.1,589 0.003,590 0.052,591 0.034,592 0.017,593 0.009,594 0.009,595 0.008,596 0.005,597 0.003,598 0.24,599 0.5,600 1,601 2.209,602 117.604,603 -0.039,604 -0.004,605 0.011,606 0.031,607 -0.02,608 0.025,609 0.188,610 -0.108,611 -0.099,612 -0.132,613 0.219,614 -0.142,615 -0.042,616 0.047,617 0.017,618 0.064,619 -0.044,620 0.048,621 -0.025,622 0.025,623 0.015,624 0.041,625 -0.03,626 0.033,627 -0.036,628 -0.048,629 -0.038,630 -0.024,631 -0.049,632 -0.032,633 -0.056,634 -0.053,635 -0.086,636 -0.059,637 -0.068,638 -0.073,639 -0.052,640 -0.034,641 -0.076,642 -0.05,643 -0.072,644 -0.062,645 -0.05,646 0.007,647 -0.043,648 -0.01,649 -0.08,650 -0.023,651 2.359,652 3.466,653 0.5,654 24.799,655 0.987,656 1.12,657 3.61,658 13.029,659 0.654,660 3.258,661 3.434,662 3.584,663 3.761,664 3.912,665 3.807,666 3.871,667 3.85,668 3.738,669 3.611,670 6.976,671 0.608,672 323.47,673 3.258,674 4.71,675 5.485,676 6.29,677 7.091,678 7.91,679 8.726,680 9.554,681 10.379,682 11.213,683 2,693 1,699 9,700 1,704 2,706 12,724 49,726 14,727 1,728 25,730 50,731 21,733 11,734 1,735 5,736 2,739 2,740 2,751 7,753 14,754 7,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 7,862 4.1,864 1,865 1,869 12.333,870 8.4,871 5.639,872 3.225,874 2.016,875 1.321,876 0.925,877 7.927,878 8.3,879 3.526,880 3.97,881 4.425,882 4.922,883 5.407,884 5.402,885 5.775,886 5.984,887 6.09,888 6.167,889 1,890 29,891 8.856,893 3.526,894 7.715,895 17.248,897 13.574,899 2.215,900 53.167,903 1,904 282.506,905 122.113,906 16.786,908 67.828,911 122.113,912 350.335,913 16.786,915 17.742,916 75.81,917 109.066,918 27.652,920 258.964,922 282.506,923 138.899,924 67.828,927 282.506,928 67.828,931 35.837,932 76.8,933 26.262,935 282.506,936 84.614,937 122.113,940 282.506,941 28.208,942 93.905,944 84.614,945 282.506,946 84.614,947 122.113,949 0.54,950 0.288,951 0.157,952 0.086,953 10,954 4,955 0.2,956 10,958 1,959 3.795,960 167.929,962 12,963 104.039,968 18.097,969 10.513,970 6.821,972 84.614,973 18.168,974 4.235,978 2.358,980 42.683,981 489.233,982 33,987 10.466,989 2.295,991 0.538,994 48.36,995 54.9,996 0.235,997 0.55,998 0.712,999 0.844,1000 0.905,1001 0.92,1002 4.673,1003 1,1004 5.371,1005 2.88,1006 4.111,1007 4.654,1008 2.258,1009 6.023,1010 4.097,1011 5.798,1012 1,1013 6.817,1014 2.196,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.029,1021 1,1022 8.378,1023 2.136,1024 5.517,1025 6.659,1026 3.628,1027 9.814,1028 5.496,1029 8.3,1030 0.576,1031 10.021,1032 2.136,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.611,1039 0.08,1040 11.725,1041 1.28,1042 7.231,1043 8.97,1044 5.201,1045 14.118,1046 7.206,1047 10.952,1048 -0.463,1049 13.473,1050 0.173,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.317,1057 -0.705,1058 15.254,1059 -1.001,1060 9.143,1061 11.448,1062 6.849,1063 18.634,1064 9.118,1065 3.006,1066 -0.9,1067 17.059,1068 -1.547,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.88,1077 -1.963,1078 11.185,1079 14.023,1080 8.526,1081 23.227,1082 11.16,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.877,1093 5.184,1094 22.557,1095 3.298,1096 13.301,1097 16.66,1098 10.216,1099 27.849,1100 13.276,1101 1.719,1102 4.08,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.425,1111 3.596,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 11.912,1117 32.481,1118 15.432,1119 1.317,1120 2.926,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 6804,1129 11076,1130 16.871,1131 32.052,1132 35.465,1133 35.784,1134 35.497,1135 35.051,1136 35.029,1137 45.776,1138 4.682,1139 86.319,1140 34.729,1141 5.292,1142 5.596,1143 6.388,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 9.599,1151 1.419,1152 1.431,1153 1.42,1154 1.402,1155 1.401,1156 1.831,1157 0.187,1158 3.453,1159 1.389,1160 3.998,1161 4.028,1162 3.939,1163 3.943,1164 7.474,1165 3.938,1166 3.79,1167 3.838,1168 3.716,1169 3.706,1170 6.351,1171 3.703,1172 3.778,1173 3.827,1174 3.637,1175 3.654,1176 4.924,1177 3.64,1178 3.609,1179 3.658,1180 3.479,1181 3.464,1182 4.74,1183 3.456,1184 3.385,1185 3.429,1186 3.262,1187 3.227,1188 4.265,1189 3.227,1190 3.143,1191 3.19,1192 3,1193 2.967,1194 4.091,1195 2.967,1196 2.885,1197 2.952,1198 2.687,1199 2.735,1200 3.826,1201 2.715,1202 2.854,1203 2.925,1204 2.686,1205 2.674,1206 3.772,1207 2.67,1208 0.175,1209 0.144,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.596,1216 0.094,1217 6.498,1218 0.407,1219 4.005,1220 0.12,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.088,1229 2.051,1230 1.4,1231 2.064,1232 1.794,1233 1.751,1234 2.021,1235 1.943,1236 1.224,1237 1.972,1238 1.774,1239 1.725,1240 1.913,1241 1.893,1242 1.106,1243 1.903,1244 1.601,1245 1.548,1246 1.844,1247 1.784,1248 0.939,1249 1.803,1250 1.361,1251 1.313,1252 1.608,1253 1.564,1254 0.832,1255 1.574,1256 1.113,1257 1.064,1258 1.368,1259 1.332,1260 0.541,1261 1.34,1262 0.886,1263 0.821,1264 1.181,1265 1.125,1266 0.345,1267 1.144,1268 0.862,1269 0.798,1270 1.18,1271 1.062,1272 0.218,1273 1.107,1274 3.932,1276 5.142,1278 6.541,1280 8.034,1282 9.582,1289 8.619,1290 6.487,1300 29.773,1301 64.786,1302 151.337,1303 195.985,1304 232.101,1305 249.121,1306 253.121,1307 46.092,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.786,1313 3.907,1314 3.17,1315 48.659,1316 95,1317 112,1318 0.235,1319 188.79,1320 332.8,1321 452.409,1322 3773,1324 17.037,1325 0.71,1326 0.584,1327 17.037,1328 14.026,1329 11.771,1330 0.471,1331 0.346,1332 8.603,1333 11.547,1334 8.418,1335 7.069,1336 11.771,1337 8.649,1338 9.553,1339 0.318,1340 0.198,1341 9.553,1342 5.926,1343 7.08,1344 0.202,1345 0.114,1346 7.08,1347 4.001,1348 5.621,1349 0.134,1350 0.065,1351 5.621,1352 2.739,1353 4.409,1354 0.09,1355 0.037,1356 4.409,1357 1.834,1358 0.38,1359 72.28,1360 0.243,1361 24.206,1362 0.61,1363 110,1364 291.53,1365 115.816,1366 287.899,1367 382.91,1368 268,1369 120,1370 266.779,1371 124.157,1372 273.699,1373 387.64,1374 258,1375 7.495} {0 CHEMBL101841,1 1.348,2 9.833,3 5.193,4 26.969,5 95.945,6 7.098,7 0.48,8 3.851,9 3.963,10 3.36,11 3.464,12 5.022,13 3.415,14 4.333,15 4.494,16 3.618,17 3.813,18 5.47,19 3.723,20 4.629,21 4.848,22 3.671,23 3.951,24 5.6,25 3.832,26 4.687,27 4.909,28 3.658,29 3.947,30 5.75,31 3.828,32 4.678,33 4.9,34 3.663,35 3.965,36 5.775,37 3.838,38 4.728,39 4.975,40 3.527,41 3.936,42 5.702,43 3.779,44 4.623,45 4.893,46 3.362,47 3.805,48 5.488,49 3.632,50 4.45,51 4.715,52 3.332,53 3.658,54 5.346,55 3.514,56 0.036,57 0.551,58 9.111,59 4.332,60 12.392,61 5.632,62 0.168,63 0.888,64 15.671,65 7.038,66 40.09,67 9.492,68 0.145,69 1.152,70 22.541,71 9.595,72 39.04,73 13.05,74 0.232,75 1.192,76 24.559,77 9.907,78 60.648,79 13.208,80 0.165,81 1.209,82 23.855,83 9.951,84 63.96,85 13.539,86 0.227,87 1.276,88 25.816,89 10.224,90 56.765,91 14.116,92 0.168,93 1.151,94 23.41,95 9.403,96 40.404,97 13.318,98 0.121,99 0.959,100 19.568,101 7.951,102 27.441,103 11.189,104 20,105 31,106 0.232,107 0.611,108 0.781,109 0.863,110 0.884,111 0.884,112 3.228,113 0.965,114 -4.76,115 -4.68,116 -4.39,118 46.7,120 4,121 1,133 1,134 1,138 1,139 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 20,181 2,186 4,191 2,194 20,195 2,198 4,203 2,206 19,207 2,210 5,215 2,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 2,247 3,252 2,255 10,256 3,259 4,260 1,264 3,267 9,268 3,270 932,271 16.441,272 16.441,273 16.441,274 16.441,275 16.441,276 14.391,277 7.07,278 10.394,279 16.511,280 12.331,281 12.331,282 12.331,283 12.331,284 12.331,285 9.38,286 3.095,287 4.84,288 12.431,289 4.144,290 1.942,291 0.959,292 0.478,293 0.356,294 0.356,295 3.895,299 1,300 1,301 483,302 4,306 185.202,313 1.306,314 20.115,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 50.5,326 236,327 4.369,328 3.732,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.002,336 3.905,337 3.024,338 5.909,339 3.72,340 2.718,341 3.298,343 8.127,344 2.712,345 3.736,346 2.501,347 5.247,348 3.27,349 2.278,350 3.045,352 6.4,353 2.259,354 3.436,355 2.278,356 4.223,357 2.792,358 1.802,359 2.58,361 4.056,362 1.782,363 3.278,364 1.986,365 3.895,366 2.563,367 1.567,368 1.996,370 3.353,371 1.552,372 2.781,373 1.708,374 3.587,375 2.395,376 1.393,377 1.908,379 2.88,380 1.387,381 2.776,382 1.489,383 3.555,384 2.3,385 1.317,386 1.766,388 2.87,389 1.293,390 2.547,391 1.317,392 3.315,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.996,408 2.5,409 1,410 3.247,411 1.956,412 1,413 1.368,415 2.13,416 0.953,417 2.081,418 0.82,419 2.922,420 1.607,421 0.608,422 0.816,424 1.23,425 0.604,426 1.305,427 0.441,428 2.4,429 1.052,430 0.054,431 0.063,433 0.109,434 0.054,435 0.856,436 0.22,437 2.198,438 0.419,439 -0.578,440 -0.746,442 -1.057,443 -0.575,444 0.719,445 -0.38,446 1.895,447 0.277,448 -0.705,449 -0.952,451 -1.547,452 -0.689,453 0.579,454 -0.693,455 1.571,456 0.103,457 -0.906,458 -1.185,460 -1.87,461 -0.88,462 11.567,463 0.482,464 0.366,465 0.015,466 30.5,467 1.271,468 17,469 0.708,470 13.5,471 0.563,472 18.178,473 0.757,474 25.033,475 0.556,476 21.688,477 0.904,478 6.139,479 0.256,480 5.581,481 0.233,482 0.101,484 0.216,487 0.75,488 1.057,489 0.861,490 0.989,491 0.725,492 0.947,493 0.464,494 1.116,495 0.989,496 1.117,497 0.448,498 1.109,499 0.782,500 1.011,501 0.954,502 1.021,503 0.841,504 1.01,505 1.232,506 0.948,507 1.046,508 0.956,509 1.192,510 0.981,511 0.872,512 1.084,513 1.023,514 1.075,515 0.799,516 1.069,517 0.971,518 1.035,519 1.119,520 1.035,521 0.94,522 1.082,523 0.624,524 0.974,525 0.98,526 0.99,527 0.609,528 1.014,529 0.585,530 0.905,531 0.827,532 0.926,533 0.583,534 0.902,535 3,536 0.116,537 2.222,538 1.375,539 0.702,540 0.25,541 0.199,542 0.26,543 0.263,544 0.169,545 6049,546 17211,547 1.996,548 46.7,549 8,550 8,551 1,552 2,553 1,554 1,558 1.672,559 1.895,560 3.267,561 -0.424,567 60.656,568 1.348,569 3.55,570 4.533,571 5.014,572 5.136,573 5.136,574 2.557,575 3.09,576 4.557,577 3.446,578 950.993,579 7.878,580 11800.8,585 247.133,586 1.236,587 4.528,588 0.12,589 0.006,590 0.072,591 0.043,592 0.023,593 0.008,594 0.008,595 0.012,596 0.012,597 0.007,598 0.31,599 0.5,600 1,601 2.011,602 115.382,603 -0.046,605 0.006,606 0.034,607 -0.041,608 0.026,609 0.193,610 -0.082,611 -0.095,612 -0.113,613 0.161,614 -0.131,615 -0.019,616 -0.036,617 -0.008,618 -0.025,619 -0.063,620 -0.017,621 -0.122,622 0.016,623 -0.061,624 0.026,625 -0.096,626 -0.006,627 -0.042,628 -0.108,629 -0.068,630 -0.087,631 0.051,632 -0.083,633 -0.11,634 -0.05,635 -0.145,636 -0.066,637 -0.117,638 -0.103,639 -0.01,641 -0.014,642 -0.015,643 -0.027,644 -0.013,645 0.066,646 0.062,647 0.143,648 0.055,649 0.04,650 0.103,651 2.479,652 4.141,653 0.5,654 21,655 0.991,656 1.113,657 3.534,658 12.489,659 0.678,660 3.258,661 3.466,662 3.664,663 3.829,664 3.951,665 3.807,666 3.892,667 3.951,668 3.932,669 3.807,670 6.189,671 0.638,672 319.43,673 3.258,674 4.727,675 5.525,676 6.347,677 7.168,678 7.998,679 8.827,680 9.661,681 10.494,682 11.332,683 2.2,693 1,699 9,700 1,704 2,706 12,724 45,726 15,727 1,728 25,730 46,731 21,733 11,734 1,735 5,736 2,739 2,740 2,751 4,752 2,753 14,754 5,755 1,756 2,761 1,763 1,765 2,772 21,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,809 1,810 1,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 4,850 1,853 1,854 1,860 1,862 4.4,864 1,865 1,869 12.667,870 7.817,871 5.667,872 2.725,874 2.1,875 1.334,876 0.923,877 6.955,878 8.384,879 3.584,880 4.025,881 4.494,882 4.978,883 5.455,884 5.416,885 5.799,886 6.043,887 6.212,888 6.349,889 1,890 32,891 8.836,893 3.578,894 7.854,895 16.797,897 13.192,899 2.354,900 56.5,903 1,904 235.422,905 154.861,906 16.786,908 67.828,911 154.861,912 303.25,913 16.786,915 10.138,916 75.81,917 109.066,918 27.652,919 52.123,920 200.109,922 235.422,923 171.647,924 67.828,927 235.422,928 67.828,931 28.233,932 100.122,933 43.292,935 235.422,936 84.614,937 154.861,940 235.422,941 20.605,942 93.905,943 17.031,944 107.935,945 235.422,946 84.614,947 154.861,949 0.546,950 0.315,951 0.173,952 0.091,953 11,954 5,955 0.174,956 8,958 1,959 3.644,960 174.591,962 12,963 106.039,968 17.662,969 9.451,970 5.477,972 84.614,973 17.681,974 4.194,978 2.186,980 42.683,981 474.897,982 35,987 11.141,989 2.154,991 0.306,994 44.592,995 50.069,996 0.245,997 0.646,998 0.825,999 0.913,1000 0.935,1001 0.935,1002 4.762,1003 1,1004 5.442,1005 2.87,1006 4.143,1007 4.71,1008 2.258,1009 6.155,1010 4.129,1011 5.923,1012 1,1013 6.936,1014 2.136,1015 3.434,1016 4.06,1017 2.243,1018 6.94,1019 3.426,1020 7.178,1021 1,1022 8.545,1023 2.136,1024 5.617,1025 6.726,1026 3.628,1027 10.033,1028 5.597,1029 8.468,1030 0.608,1031 10.229,1032 2.13,1033 5.832,1034 6.961,1035 4.112,1036 11.749,1037 5.822,1038 9.791,1039 0.054,1040 11.962,1041 1.23,1042 7.403,1043 9.033,1044 5.201,1045 14.316,1046 7.381,1047 11.138,1048 -0.578,1049 13.729,1050 0.109,1051 8.064,1052 9.729,1053 5.889,1054 16.382,1055 8.051,1056 12.505,1057 -0.705,1058 15.519,1059 -1.057,1060 9.361,1061 11.5,1062 6.849,1063 18.779,1064 9.338,1065 3.006,1066 -0.906,1067 17.325,1068 -1.547,1069 10.241,1070 12.462,1071 7.625,1072 20.986,1073 10.224,1074 2.718,1075 10.173,1076 19.142,1077 -1.87,1078 11.414,1079 14.063,1080 8.526,1081 23.326,1082 11.391,1083 2.278,1084 8.127,1085 20.967,1086 3.943,1087 12.4,1088 15.185,1089 9.342,1090 25.592,1091 12.379,1092 1.802,1093 6.4,1094 22.799,1095 3.298,1096 13.519,1097 16.688,1098 10.216,1099 27.914,1100 13.495,1101 1.567,1102 4.056,1103 24.636,1104 3.045,1105 14.556,1106 17.908,1107 11.051,1108 30.206,1109 14.533,1110 1.393,1111 3.353,1112 26.477,1113 2.58,1114 15.654,1115 19.354,1116 11.912,1117 32.523,1118 15.628,1119 1.317,1120 2.88,1121 28.322,1122 1.996,1123 16.717,1124 20.634,1125 12.755,1126 34.829,1127 16.69,1128 6161,1129 10454,1130 16.583,1131 30.529,1132 37.015,1133 36.737,1134 36.733,1135 35.511,1136 35.488,1137 47.563,1138 4.682,1139 91.198,1140 35.186,1141 5.247,1142 5.732,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.002,1150 11.131,1151 1.481,1152 1.469,1153 1.469,1154 1.42,1155 1.42,1156 1.903,1157 0.187,1158 3.648,1159 1.407,1160 3.998,1161 4.028,1162 3.94,1163 3.943,1164 7.474,1165 3.939,1166 3.798,1167 3.836,1168 3.716,1169 3.709,1170 6.351,1171 3.705,1172 3.785,1173 3.826,1174 3.695,1175 3.676,1176 5.428,1177 3.673,1178 3.523,1179 3.574,1180 3.397,1181 3.415,1182 4.924,1183 3.403,1184 3.275,1185 3.304,1186 3.199,1187 3.157,1188 4.74,1189 3.154,1190 3.149,1191 3.175,1192 3.035,1193 2.952,1194 4.25,1195 2.969,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.937,1201 2.715,1202 2.82,1203 2.884,1204 2.644,1205 2.631,1206 3.796,1207 2.622,1208 0.175,1209 0.149,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.732,1216 0.094,1217 6.498,1218 0.407,1219 4.005,1220 0.12,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.002,1226 1.975,1227 1.951,1228 2.084,1229 2.051,1230 1.359,1231 2.063,1232 1.793,1233 1.755,1234 1.981,1235 1.929,1236 1.169,1237 1.946,1238 1.772,1239 1.733,1240 1.908,1241 1.893,1242 0.977,1243 1.902,1244 1.531,1245 1.483,1246 1.746,1247 1.683,1248 0.913,1249 1.705,1250 1.258,1251 1.219,1252 1.467,1253 1.415,1254 0.576,1255 1.424,1256 1.071,1257 1.045,1258 1.266,1259 1.319,1260 0.339,1261 1.294,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.791,1269 0.73,1270 1.093,1271 1.051,1272 0.112,1273 1.074,1274 3.932,1276 5.165,1278 6.6,1280 8.127,1282 9.7,1289 9.15,1290 2.459,1294 -0.457,1297 5.239,1299 2.446,1300 28.719,1301 60.656,1302 159.733,1303 203.972,1304 225.624,1305 231.133,1306 231.133,1307 52.115,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.9,1313 4,1314 3.459,1315 48.288,1316 86,1317 90,1318 0.263,1319 182.936,1320 327.52,1321 438.123,1322 3530,1324 17.2,1325 0.717,1326 0.565,1327 17.2,1328 13.559,1329 11.72,1330 0.469,1331 0.322,1332 7.997,1333 11.503,1334 7.805,1335 6.537,1336 11.72,1337 8.043,1338 9.537,1339 0.308,1340 0.181,1341 9.537,1342 5.6,1343 7.475,1344 0.197,1345 0.102,1346 7.475,1347 3.876,1348 5.949,1349 0.132,1350 0.058,1351 5.949,1352 2.608,1353 4.625,1354 0.091,1355 0.033,1356 4.625,1357 1.685,1358 0.414,1359 71.972,1360 0.246,1361 23.656,1362 0.715,1363 112,1364 313.53,1365 117.816,1366 313.049,1367 413.97,1368 290,1369 125,1370 286.779,1371 129.821,1372 296.274,1373 419.49,1374 278,1375 7.553} {0 CHEMBL101870,1 1.378,2 9,3 4.062,4 16.501,5 83.335,6 7.034,7 0.545,8 3.742,9 3.854,10 3.243,11 3.339,12 4.874,13 3.291,14 4.226,15 4.39,16 3.499,17 3.677,18 5.389,19 3.588,20 4.5,21 4.736,22 3.471,23 3.767,24 5.444,25 3.644,26 4.444,27 4.675,28 3.436,29 3.729,30 5.386,31 3.607,32 4.462,33 4.681,34 3.478,35 3.768,36 5.44,37 3.651,38 4.53,39 4.764,40 3.398,41 3.785,42 5.486,43 3.637,44 4.502,45 4.769,46 3.194,47 3.678,48 5.337,49 3.495,50 4.339,51 4.621,52 3.04,53 3.447,54 5.196,55 3.27,56 0.032,57 0.505,58 8.304,59 3.921,60 7.721,61 5.097,62 0.154,63 0.807,64 14.281,65 6.312,66 34.41,67 8.558,68 0.18,69 1.009,70 20.373,71 8.098,72 36.804,73 11.171,74 0.155,75 0.962,76 19.072,77 7.677,78 31.572,79 10.6,80 0.163,81 0.995,82 19.235,83 7.67,84 32.903,85 10.565,86 0.169,87 1.049,88 20.817,89 8.366,90 37.018,91 11.597,92 0.146,93 0.998,94 20.655,95 8.348,96 30.552,97 11.831,98 0.109,99 0.829,100 17.8,101 7.018,102 21.989,103 10.011,104 11,105 27,106 0.245,107 0.568,108 0.716,109 0.832,110 0.877,111 0.877,112 3.102,113 0.976,114 -4.16,115 -4.1,116 -3.88,118 45,120 4,133 1,134 1,140 8,141 1,143 1,144 1,154 1,163 1,167 1,168 14,169 1,172 4,175 1,177 1,180 15,181 1,186 4,191 1,194 14,195 1,198 4,203 1,206 14,207 1,210 4,215 1,218 15,219 1,222 3,227 1,229 14,230 1,234 2,239 1,242 11,243 1,247 1,248 1,252 1,255 6,256 3,258 1,259 3,262 1,264 3,267 2,268 3,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.496,277 5.568,278 9.19,279 14.432,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.255,286 1.893,287 4.421,288 11.02,289 3.944,290 2.13,291 1.3,292 0.65,293 0.4,294 0.4,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 15.789,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 189,327 4.369,328 3.596,329 6.498,330 3.997,331 3.006,332 3.943,333 2.341,334 10.173,335 2.978,336 3.736,337 3.024,338 5.247,339 3.26,340 2.278,341 3.298,343 6.4,344 2.236,345 3.55,346 2.278,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.221,354 3.278,355 1.986,356 4.22,357 2.796,358 1.802,359 2.579,361 4.049,362 1.79,363 2.781,364 1.646,365 3.654,366 2.554,367 1.555,368 1.908,370 3.193,371 1.55,372 2.748,373 1.317,374 3.555,375 2.311,376 1.317,377 1.768,379 2.88,380 1.308,381 2.5,382 1.305,383 3.319,384 2,385 1,386 1.5,388 2.252,389 1,390 2.5,391 1,392 3.247,393 1.999,394 1,395 1.5,397 2.136,398 0.995,399 2.389,400 1,401 3.247,402 1.957,403 1,404 1.288,406 2.136,407 0.955,408 1.652,409 0.726,410 2.804,411 1.442,412 0.445,413 0.52,415 1.01,416 0.442,417 0.959,418 0.423,419 2.198,420 0.74,421 -0.263,422 -0.286,424 -0.58,425 -0.26,426 0.719,427 0.026,428 2.191,429 0.281,430 -0.705,431 -0.952,433 -1.547,434 -0.692,435 0.578,436 -0.703,437 1.555,438 0.13,439 -0.878,440 -1.062,442 -1.954,443 -0.853,444 0.5,445 -0.705,446 1.555,448 -1,449 -1.386,451 -2,452 -0.971,453 0.5,454 -1,455 1.54,456 -0.017,457 -1,458 -1.5,460 -2.347,461 -0.982,462 10.067,463 0.479,464 0.315,465 0.015,466 27,467 1.286,468 15,469 0.714,470 12,471 0.571,472 14.643,473 0.697,474 22.333,475 0.558,476 17.76,477 0.846,478 5.43,479 0.259,480 4.841,481 0.231,482 0.066,484 0.199,487 0.748,488 1.092,489 0.864,490 1.016,491 0.711,492 0.966,493 0.437,494 1.212,495 0.974,496 1.171,497 0.406,498 1.143,499 0.89,500 0.929,501 0.953,502 0.903,503 0.891,504 0.93,505 0.83,506 0.983,507 0.971,508 0.955,509 0.81,510 0.975,511 0.896,512 1.022,513 1.056,514 0.998,515 0.85,516 1.034,517 0.831,518 1.066,519 1.126,520 1.091,521 0.78,522 1.133,523 0.58,524 1.015,525 1.023,526 1.068,527 0.578,528 1.093,529 0.548,530 1.002,531 0.874,532 1.033,533 0.567,534 0.998,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 12050,547 2.023,548 47.5,549 6,550 9,552 1,553 1,554 2,558 1.634,559 1.938,560 3.146,561 -0.385,563 1,567 55.108,568 1.378,569 3.191,570 4.022,571 4.672,572 4.922,573 4.922,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,582 1,583 1,584 1,585 212.877,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.83,600 1,601 1.787,602 95.963,603 -0.05,604 -0.003,605 0.008,606 0.038,607 -0.054,608 0.029,609 0.214,610 -0.16,611 -0.08,612 -0.15,613 0.218,614 -0.152,615 -0.075,616 0.057,617 0.004,618 0.08,619 -0.081,620 0.055,621 -0.066,622 0.011,623 -0.023,624 0.031,625 -0.074,626 0.012,627 -0.108,628 0.002,629 -0.113,630 -0.018,631 -0.114,632 -0.058,633 -0.098,634 -0.069,635 -0.185,636 -0.111,637 -0.081,638 -0.15,639 -0.011,640 -0.06,641 -0.079,642 -0.088,643 -0.032,644 -0.09,645 0.081,646 -0.07,647 0.091,648 -0.063,649 0.047,650 0.006,651 2.396,652 3.514,653 0.571,654 17.946,655 0.993,656 1.116,657 2.927,658 8.566,659 0.669,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.63,672 281.38,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 2.5,693 1,699 9,700 1,704 2,706 12,724 40,726 14,727 1,728 22,730 41,731 18,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,772 19,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 21,845 1,846 4,862 5,864 1,865 1,869 10.833,870 6.9,871 4.889,872 2.486,874 2.08,875 1.342,876 0.93,877 5.866,878 8.16,879 3.434,880 3.912,881 4.388,882 4.9,883 5.393,884 5.389,885 5.772,886 5.989,887 6.124,888 6.196,889 0.833,890 26,891 7.727,893 3.105,894 7.817,895 14.799,897 11.565,899 2.317,900 48.667,904 211.88,905 114.51,906 16.786,908 67.828,911 114.51,912 279.708,913 16.786,915 10.138,916 85.286,917 97.295,918 18.175,920 200.109,922 211.88,923 131.295,924 67.828,927 211.88,928 67.828,931 21.942,932 83.091,933 26.262,935 211.88,936 84.614,937 114.51,940 211.88,941 20.176,942 94.334,944 84.614,945 211.88,946 84.614,947 114.51,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.171,956 7,958 1,959 3.422,960 144.194,962 12,963 88.239,968 15.148,969 8.132,970 4.977,972 84.614,973 17.81,974 4.42,978 2.08,980 42.683,981 411.003,982 30,987 10.514,989 2.152,991 0.374,994 39.709,995 44.654,996 0.259,997 0.6,998 0.756,999 0.878,1000 0.925,1001 0.925,1002 4.585,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.595,1008 2.258,1009 5.964,1010 3.988,1011 5.732,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 6.977,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.635,1026 3.628,1027 9.798,1028 5.404,1029 8.261,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.511,1038 9.582,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.963,1044 5.201,1045 14.116,1046 7.128,1047 10.931,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.716,1056 12.303,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.446,1062 6.849,1063 18.633,1064 9.043,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.887,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 14.023,1080 8.526,1081 23.227,1082 11.078,1083 2.234,1084 6.4,1085 20.712,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.051,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.66,1098 10.216,1099 27.849,1100 13.183,1101 1.555,1102 4.049,1103 24.406,1104 2.711,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.218,1110 1.317,1111 3.193,1112 26.261,1113 2.579,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.325,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.39,1128 4310,1129 7342,1130 14.792,1131 26.767,1132 31.732,1133 31.98,1134 31.811,1135 31.294,1136 31.277,1137 42.029,1138 4.682,1139 78.826,1140 30.949,1141 5.227,1142 5.596,1143 6.3,1144 5.035,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 4.978,1150 8.506,1151 1.442,1152 1.454,1153 1.446,1154 1.422,1155 1.422,1156 1.91,1157 0.213,1158 3.583,1159 1.407,1160 3.993,1161 4.023,1162 3.936,1163 3.933,1164 7.474,1165 3.929,1166 3.79,1167 3.83,1168 3.717,1169 3.707,1170 6.351,1171 3.704,1172 3.726,1173 3.775,1174 3.599,1175 3.59,1176 4.924,1177 3.58,1178 3.464,1179 3.497,1180 3.359,1181 3.315,1182 4.729,1183 3.316,1184 3.156,1185 3.189,1186 3.04,1187 2.98,1188 4.233,1189 2.989,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.914,1195 2.715,1196 2.824,1197 2.889,1198 2.645,1199 2.651,1200 3.82,1201 2.639,1202 2.779,1203 2.855,1204 2.617,1205 2.59,1206 3.674,1207 2.591,1208 0.199,1209 0.163,1210 0.295,1211 0.182,1212 0.137,1213 4.369,1214 0.179,1215 3.596,1216 0.106,1217 6.498,1218 0.462,1219 3.997,1220 0.135,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 2.978,1226 1.968,1227 1.942,1228 2.078,1229 2.049,1230 1.323,1231 2.059,1232 1.787,1233 1.75,1234 1.958,1235 1.896,1236 1.136,1237 1.915,1238 1.72,1239 1.668,1240 1.912,1241 1.887,1242 0.939,1243 1.901,1244 1.43,1245 1.391,1246 1.65,1247 1.625,1248 0.844,1249 1.627,1250 1.11,1251 1.073,1252 1.332,1253 1.324,1254 0.483,1255 1.321,1256 0.886,1257 0.821,1258 1.181,1259 1.063,1260 0.218,1261 1.107,1262 0.808,1263 0.744,1264 1.111,1265 1.062,1266 0.217,1267 1.078,1268 0.762,1269 0.703,1270 1.063,1271 0.998,1272 0.132,1273 1.027,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1289 8.653,1290 2.664,1300 25.192,1301 55.108,1302 127.658,1303 160.877,1304 186.877,1305 196.877,1306 196.877,1307 35.93,1308 6.08,1309 50.19,1310 50.19,1311 12,1312 11.739,1313 3.907,1314 3.17,1315 39.153,1316 65,1317 79,1318 0.274,1319 160.013,1320 280.9,1321 382.193,1322 2704,1324 14.916,1325 0.71,1326 0.567,1327 14.916,1328 11.905,1329 10.271,1330 0.467,1331 0.325,1332 7.114,1333 10.052,1334 6.962,1335 5.829,1336 10.271,1337 7.159,1338 8.492,1339 0.315,1340 0.179,1341 8.492,1342 4.838,1343 6.33,1344 0.198,1345 0.101,1346 6.33,1347 3.219,1348 5.09,1349 0.131,1350 0.056,1351 5.09,1352 2.177,1353 4.034,1354 0.088,1355 0.032,1356 4.034,1357 1.452,1358 0.428,1359 63.234,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 279.53,1365 104.149,1366 275.223,1367 366.55,1368 256,1369 108,1370 257.131,1371 112.49,1372 262.612,1373 373.76,1374 248,1375 4} {0 CHEMBL102200,1 1.322,2 10.708,3 5.002,4 25.022,5 97.51,6 6.601,7 0.48,8 3.928,9 4.051,10 3.372,11 3.511,12 4.989,13 3.449,14 4.447,15 4.63,16 3.61,17 3.866,18 5.502,19 3.755,20 4.736,21 4.984,22 3.569,23 3.975,24 5.58,25 3.818,26 4.731,27 4.989,28 3.485,29 3.939,30 5.53,31 3.766,32 4.749,33 5.013,34 3.486,35 3.939,36 5.545,37 3.766,38 4.765,39 5.038,40 3.483,41 3.933,42 5.577,43 3.759,44 4.71,45 4.985,46 3.493,47 3.908,48 5.505,49 3.742,50 4.652,51 4.909,52 3.539,53 3.88,54 5.52,55 3.731,56 0.047,57 0.627,58 10.915,59 4.995,60 8.9,61 6.714,62 0.191,63 1.009,64 18.888,65 8.173,66 36.172,67 11.344,68 0.192,69 1.254,70 25.837,71 10.605,72 35.473,73 14.88,74 0.18,75 1.242,76 25.71,77 10.55,78 32.998,79 14.905,80 0.198,81 1.266,82 26.298,83 10.526,84 34.921,85 14.975,86 0.212,87 1.28,88 26.823,89 10.549,90 39.423,91 15.095,92 0.179,93 1.226,94 25.249,95 10.087,96 30.005,97 14.5,98 0.132,99 1.169,100 23.642,101 9.611,102 23.867,103 13.717,104 11,105 30,106 0.226,107 0.537,108 0.715,109 0.858,110 0.882,111 0.882,112 3.227,113 1.033,114 -4.84,115 -4.75,116 -4.46,118 42.9,120 7,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 20,181 1,186 3,191 1,194 19,195 1,198 3,203 1,206 17,207 1,210 3,215 1,218 16,219 1,222 3,227 1,229 16,230 1,234 3,239 1,242 15,243 2,247 5,252 2,255 13,256 2,259 4,260 1,264 2,267 9,268 2,270 1094,271 16.433,272 16.433,273 16.433,274 16.433,275 16.433,276 14.502,277 11.276,278 10.563,279 16.503,280 12.404,281 12.404,282 12.404,283 12.404,284 12.404,285 9.644,286 5.874,287 5.092,288 12.503,289 4.293,290 2.468,291 1.427,292 0.587,293 0.449,294 0.449,295 3.898,299 1,300 1,301 525,302 3.873,306 190.984,313 1.792,314 16.75,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 50.5,326 257,327 4.201,328 3.596,329 6.134,330 3.834,331 2.837,332 3.729,333 2.341,334 9.025,335 2.827,336 3.895,337 2.986,338 5.34,339 3.517,340 2.517,341 3.444,343 6.964,344 2.516,345 3.55,346 2.71,347 4.659,348 3.24,349 2.235,350 2.72,352 5.185,353 2.222,354 3.395,355 2.082,356 4.511,357 2.921,358 1.939,359 2.699,361 4.717,362 1.902,363 2.941,364 1.805,365 3.704,366 2.606,367 1.605,368 2.109,370 3.303,371 1.603,372 2.758,373 1.61,374 3.637,375 2.516,376 1.524,377 1.816,379 3.16,380 1.51,381 2.546,382 1.308,383 3.495,384 2.229,385 1.244,386 1.538,388 2.754,389 1.223,390 2.5,391 1.283,392 3.247,393 2,394 1,395 1.5,397 2.171,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.996,408 2.233,409 1,410 3.236,411 1.956,412 1,413 1.163,415 2.136,416 0.953,417 1.702,418 0.819,419 2.834,420 1.574,421 0.575,422 0.625,424 1.251,425 0.572,426 1.171,427 0.564,428 2.453,429 0.953,430 -0.05,431 -0.056,433 -0.112,434 -0.049,435 0.876,436 0.153,437 2.192,438 0.646,439 -0.352,440 -0.391,442 -0.783,443 -0.348,444 0.639,445 -0.101,446 1.729,447 0.229,448 -0.751,449 -0.964,451 -1.635,452 -0.731,453 0.52,454 -0.632,455 1.555,456 0.118,457 -0.892,458 -1.059,460 -1.963,461 -0.869,462 11.567,463 0.482,464 0.332,465 0.014,466 28.5,467 1.188,468 15,469 0.625,470 13.5,471 0.563,472 19.775,473 0.824,474 26.233,475 0.535,476 18.416,477 0.767,478 5.51,479 0.23,480 6.244,481 0.26,482 0.058,484 0.173,487 0.752,488 1.149,489 0.935,490 1.085,491 0.695,492 1.039,493 0.459,494 1.188,495 1.04,496 1.19,497 0.405,498 1.175,499 0.806,500 1.002,501 1.007,502 1.014,503 0.842,504 1.032,505 0.716,506 1.051,507 1.024,508 1.067,509 0.737,510 1.078,511 0.761,512 1.006,513 1.019,514 1.02,515 0.749,516 1.041,517 0.772,518 0.945,519 0.978,520 0.954,521 0.705,522 0.98,523 0.604,524 0.91,525 0.894,526 0.914,527 0.541,528 0.927,529 0.541,530 1.07,531 0.883,532 1.041,533 0.529,534 1.001,535 3,536 0.074,537 1.556,538 0.75,539 0.342,540 0.326,541 0.263,542 0.184,543 0.148,544 0.134,545 6649,546 17179,547 2.02,548 51,549 12,550 8,552 2,553 1,554 2,558 1.67,559 1.946,560 3.41,561 -0.424,567 64.786,568 1.322,569 3.147,570 4.188,571 5.028,572 5.166,573 5.166,574 2.928,575 4.054,576 4.551,577 3.606,578 995.155,579 7.866,580 12703.3,582 1,585 275.121,586 1.041,587 4.543,588 0.12,589 0.004,590 0.052,591 0.027,592 0.014,593 0.013,594 0.011,595 0.007,596 0.005,597 0.006,598 0.258,599 0.5,600 1,601 1.636,602 117.088,603 -0.039,604 -0.004,605 0.011,606 0.031,607 -0.021,608 0.025,609 0.188,610 -0.108,611 -0.099,612 -0.132,613 0.213,614 -0.142,615 -0.056,616 -0.02,617 -0.054,618 -0.011,619 -0.072,620 -0.03,621 -0.036,622 -0.078,623 -0.078,624 -0.069,625 -0.061,626 -0.078,627 -0.049,628 -0.026,629 -0.066,630 -0.035,631 -0.067,632 -0.05,633 -0.046,634 0.032,635 -0.022,636 0.019,637 -0.02,638 0.004,639 -0.002,640 0.074,641 0.052,642 0.066,643 0.006,644 0.066,645 0.06,646 -0.075,647 0.061,648 -0.047,649 0.034,651 2.38,652 3.57,653 0.5,654 24.583,655 0.987,656 1.12,657 3.61,658 13.029,659 0.654,660 3.258,661 3.434,662 3.555,663 3.689,664 3.807,665 3.664,666 3.738,667 3.784,668 3.807,669 3.784,670 6.709,671 0.608,672 323.47,673 3.258,674 4.71,675 5.476,676 6.271,677 7.055,678 7.857,679 8.65,680 9.455,681 10.254,682 11.062,683 2,693 1,699 9,700 1,704 2,706 12,724 49,726 14,727 1,728 25,730 50,731 21,733 11,734 1,735 5,736 2,739 2,740 2,751 7,753 14,754 7,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 7,862 4.1,864 1,865 1,869 12.333,870 8.4,871 5.611,872 3.162,874 1.96,875 1.312,876 0.925,877 7.927,878 8.244,879 3.526,880 3.97,881 4.376,882 4.806,883 5.228,884 5.01,885 5.264,886 5.383,887 5.569,888 5.802,889 1,890 28,891 8.862,893 3.528,894 7.715,895 17.248,897 13.572,899 2.215,900 53.167,903 1,904 282.506,905 122.113,906 16.786,908 67.828,911 122.113,912 350.335,913 16.786,915 17.742,916 75.81,917 109.066,918 27.652,920 258.964,922 282.506,923 138.899,924 67.828,927 282.506,928 67.828,931 35.837,932 76.8,933 26.262,935 282.506,936 84.614,937 122.113,940 282.506,941 28.208,942 93.905,944 84.614,945 282.506,946 84.614,947 122.113,949 0.543,950 0.287,951 0.15,952 0.078,953 10,954 4,955 0.2,956 10,958 1,959 3.811,960 166.736,962 12,963 106.039,968 18.097,969 10.513,970 7.257,972 84.614,973 18.29,974 4.221,978 2.535,980 42.683,981 489.233,982 33,987 10.57,989 2.254,991 0.601,994 48.36,995 54.9,996 0.235,997 0.56,998 0.746,999 0.895,1000 0.92,1001 0.92,1002 4.673,1003 1,1004 5.361,1005 2.754,1006 4.111,1007 4.654,1008 2.258,1009 5.979,1010 4.097,1011 5.798,1012 1,1013 6.79,1014 2.171,1015 3.219,1016 3.951,1017 2.243,1018 6.503,1019 3.209,1020 7.025,1021 1,1022 8.322,1023 2.136,1024 5.501,1025 6.638,1026 3.628,1027 9.567,1028 5.479,1029 8.288,1030 0.575,1031 9.923,1032 2.136,1033 5.485,1034 6.768,1035 4.112,1036 11.074,1037 5.472,1038 9.584,1039 -0.05,1040 11.574,1041 1.251,1042 7.154,1043 8.892,1044 5.201,1045 13.575,1046 7.127,1047 10.903,1048 -0.352,1049 13.261,1050 -0.112,1051 7.602,1052 9.453,1053 5.889,1054 15.485,1055 7.585,1056 12.242,1057 -0.751,1058 14.976,1059 -0.783,1060 8.958,1061 11.281,1062 6.849,1063 17.79,1064 8.928,1065 2.837,1066 -0.892,1067 16.711,1068 -1.635,1069 9.667,1070 12.097,1071 7.625,1072 19.865,1073 9.644,1074 2.517,1075 9.025,1076 18.462,1077 -1.963,1078 10.859,1079 13.745,1080 8.526,1081 22.1,1082 10.826,1083 2.235,1084 6.964,1085 20.225,1086 3.729,1087 11.714,1088 14.725,1089 9.342,1090 24.244,1091 11.684,1092 1.939,1093 5.185,1094 21.996,1095 3.444,1096 12.822,1097 16.257,1098 10.216,1099 26.455,1100 12.784,1101 1.605,1102 4.717,1103 23.776,1104 2.72,1105 13.758,1106 17.344,1107 11.051,1108 28.628,1109 13.721,1110 1.524,1111 3.303,1112 25.561,1113 2.699,1114 14.825,1115 18.8,1116 11.912,1117 30.83,1118 14.782,1119 1.244,1120 3.16,1121 27.35,1122 2.109,1123 15.805,1124 19.959,1125 12.755,1126 33.018,1127 15.761,1128 6683,1129 10826,1130 16.871,1131 32.052,1132 35.404,1133 35.783,1134 35.395,1135 34.956,1136 34.952,1137 45.685,1138 4.682,1139 85.604,1140 34.652,1141 5.098,1142 5.596,1143 5.936,1144 4.869,1145 4.837,1146 6.729,1147 3.925,1148 15.074,1149 4.827,1150 9.425,1151 1.416,1152 1.431,1153 1.416,1154 1.398,1155 1.398,1156 1.827,1157 0.187,1158 3.424,1159 1.386,1160 3.972,1161 4.009,1162 3.895,1163 3.902,1164 7.474,1165 3.895,1166 3.884,1167 3.918,1168 3.814,1169 3.818,1170 6.351,1171 3.813,1172 3.728,1173 3.777,1174 3.605,1175 3.592,1176 4.909,1177 3.585,1178 3.572,1179 3.624,1180 3.456,1181 3.442,1182 4.75,1183 3.434,1184 3.4,1185 3.448,1186 3.251,1187 3.231,1188 4.329,1189 3.226,1190 3.142,1191 3.189,1192 3.005,1193 2.967,1194 3.993,1195 2.97,1196 2.867,1197 2.937,1198 2.687,1199 2.735,1200 3.854,1201 2.715,1202 2.854,1203 2.925,1204 2.67,1205 2.694,1206 3.787,1207 2.678,1208 0.168,1209 0.144,1210 0.245,1211 0.153,1212 0.113,1213 4.201,1214 0.149,1215 3.596,1216 0.094,1217 6.134,1218 0.361,1219 3.834,1220 0.113,1221 2.837,1222 3.729,1223 2.341,1224 9.025,1225 2.827,1226 1.946,1227 1.914,1228 2.089,1229 2.04,1230 1.361,1231 2.057,1232 1.887,1233 1.856,1234 2.022,1235 1.98,1236 1.279,1237 1.995,1238 1.719,1239 1.667,1240 1.928,1241 1.886,1242 1.089,1243 1.902,1244 1.572,1245 1.518,1246 1.798,1247 1.734,1248 0.92,1249 1.757,1250 1.376,1251 1.325,1252 1.629,1253 1.591,1254 0.834,1255 1.599,1256 1.112,1257 1.064,1258 1.379,1259 1.332,1260 0.581,1261 1.343,1262 0.886,1263 0.821,1264 1.181,1265 1.123,1266 0.331,1267 1.142,1268 0.857,1269 0.792,1270 1.175,1271 1.062,1272 0.218,1273 1.107,1274 3.932,1276 5.142,1278 6.532,1280 8.005,1282 9.52,1289 8.701,1290 5.995,1300 29.773,1301 64.786,1302 154.192,1303 205.205,1304 246.366,1305 253.121,1306 253.121,1307 46.558,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.655,1313 3.907,1314 3.17,1315 48.303,1316 89,1317 100,1318 0.24,1319 188.79,1320 332.8,1321 452.409,1322 3872,1324 17.037,1325 0.71,1326 0.584,1327 17.037,1328 14.026,1329 11.754,1330 0.47,1331 0.344,1332 8.56,1333 11.53,1334 8.365,1335 7.003,1336 11.754,1337 8.606,1338 9.625,1339 0.321,1340 0.198,1341 9.625,1342 5.95,1343 7.085,1344 0.208,1345 0.118,1346 7.085,1347 4.022,1348 5.502,1349 0.141,1350 0.07,1351 5.502,1352 2.741,1353 4.204,1354 0.096,1355 0.041,1356 4.204,1357 1.823,1358 0.384,1359 72.179,1360 0.243,1361 24.109,1362 0.639,1363 110,1364 291.53,1365 115.816,1366 287.89,1367 380.95,1368 268,1369 119,1370 262.779,1371 123.157,1372 269.807,1373 379.36,1374 254,1375 7.187} {0 CHEMBL102360,1 1.835,2 11.844,3 3.348,4 11.207,5 117.542,6 8.614,7 0.6,8 4.094,9 4.188,10 3.901,11 3.655,12 5.27,13 3.64,14 4.622,15 4.765,16 4.215,17 4.046,18 6.035,19 4.022,20 4.844,21 5.012,22 4.239,23 4.192,24 6.071,25 4.13,26 4.986,27 5.168,28 4.185,29 4.205,30 6.186,31 4.136,32 4.994,33 5.208,34 4.186,35 4.188,36 6.08,37 4.107,38 5.02,39 5.244,40 4.248,41 4.216,42 6.28,43 4.113,44 5.011,45 5.248,46 4.158,47 4.146,48 6.117,49 4.048,50 4.893,51 5.096,52 4.114,53 4.035,54 6.188,55 3.965,56 0.178,57 0.884,58 11.162,59 5.034,60 25.622,61 5.337,62 0.595,63 1.407,64 19.101,65 8.06,66 75.823,67 9.146,68 0.583,69 1.693,70 28.634,71 11.408,72 61.948,73 12.477,74 0.817,75 1.775,76 34.153,77 12.125,78 114.013,79 13.605,80 0.836,81 1.746,82 33.617,83 12.094,84 105.773,85 14.989,86 0.943,87 1.834,88 34.224,89 12.967,90 120.473,91 16.829,92 0.835,93 1.724,94 40.178,95 12.844,96 112.055,97 15.741,98 1.04,99 1.525,100 37.098,101 11.565,102 129.54,103 12.584,104 38,105 51,106 0.3,107 0.667,108 0.812,109 0.872,110 0.872,111 0.872,112 3.503,113 0.969,114 -3.43,115 -3.41,116 -3.26,118 41.5,119 1,124 3,140 7,141 3,142 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 8,169 1,171 2,172 4,175 3,177 1,180 8,181 2,185 1,186 10,189 1,191 4,194 7,195 2,198 9,203 4,206 3,207 1,209 3,210 4,211 1,215 4,218 1,219 1,221 1,222 7,225 2,227 4,234 10,235 1,239 1,246 3,247 8,250 2,253 1,255 6,259 4,260 1,262 1,263 1,267 12,270 1968,271 21.093,272 21.093,273 21.093,274 21.093,275 21.093,276 18.086,277 18.468,278 12.144,279 21.607,280 17.229,281 17.229,282 17.229,283 17.229,284 17.229,285 12.62,286 18.143,287 5.722,288 18.109,289 3.893,290 1.649,291 0.762,292 0.392,293 0.392,294 0.392,295 4.191,299 1,300 1,301 814,302 4.183,305 155.65,306 202.761,309 141.101,313 1.551,314 50.178,317 1,318 0.83,319 1,320 0.6,322 1,323 1,324 0.78,325 71.5,326 379,327 4.845,328 4.683,329 7.293,330 4.312,331 3.377,332 4.729,333 1.437,334 12.404,335 3.238,336 4.76,337 3.591,338 7.017,339 4.286,340 3.337,341 4.696,342 0.522,343 11.978,344 3.063,345 4.078,346 3.438,347 5.984,348 3.711,349 2.721,350 3.582,352 8.438,353 2.685,354 3.91,355 2.875,356 5.681,357 3.448,358 2.521,359 3.448,361 7.487,362 2.334,363 3.835,364 2.704,365 5.583,366 3.352,367 2.401,368 3.393,370 6.829,371 2.273,372 3.469,373 2.327,374 5.259,375 3.072,376 2.11,377 2.839,379 6.376,380 2.026,381 3.437,382 2.255,383 5.148,384 3.002,385 2.027,386 2.747,388 6.319,389 1.962,390 3.082,391 1.9,392 4.732,393 2.611,394 1.653,395 2.29,397 4.764,398 1.565,399 2.774,400 1.777,401 3.916,402 2.308,403 1.338,404 1.811,406 3.165,407 1.292,408 2.601,409 1.469,410 3.815,411 2.193,412 1.204,413 1.618,415 2.871,416 1.176,417 2.5,418 1.237,419 3.591,420 2.071,421 1.13,422 1.5,424 2.575,425 1.059,426 2.493,427 1.025,428 3.463,429 2,430 1,431 1.478,433 2.275,434 1,435 2.172,436 1,437 3.414,438 1.827,439 0.85,440 1.086,442 2.091,443 0.827,444 2.118,445 0.756,446 3.174,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.491,454 0.618,455 3,456 1.274,457 0.32,458 0.359,460 0.836,461 0.304,462 15.052,463 0.47,464 0.999,465 0.031,466 43.5,467 1.359,468 22.5,469 0.703,470 21,471 0.656,472 26.233,473 0.82,474 34.748,475 0.656,476 36.959,477 1.155,478 8.742,479 0.273,480 6.517,481 0.204,482 0.141,483 0.055,484 0.319,486 1,487 0.622,488 1.256,489 0.765,490 1.199,491 0.644,492 0.92,493 0.613,494 0.961,495 0.816,496 0.879,497 0.469,498 0.852,499 0.903,500 1.038,501 1.159,502 1.16,503 0.803,504 1.075,505 1.105,506 1.065,507 1.238,508 1.175,509 1.054,510 1.188,511 0.755,512 0.879,513 0.844,514 0.921,515 0.786,516 1.034,517 0.432,518 0.911,519 0.772,520 0.987,521 0.396,522 1.07,523 0.865,524 0.847,525 1.013,526 0.969,527 0.796,528 0.932,529 1.199,530 0.776,531 1.26,532 0.951,533 1.289,534 0.888,535 7.5,536 0.296,537 4.667,538 3.146,539 1.636,540 1.511,541 0.859,542 0.695,543 0.476,544 0.358,545 13623,546 47762,547 2.037,548 39.6,549 3,550 13,551 1,552 2,553 2,558 1.749,559 1.873,560 3.494,561 0.27,563 1,567 97.234,568 1.835,569 4.079,570 4.966,571 5.336,572 5.336,573 5.336,574 2.866,575 4.563,576 4.969,577 3.675,578 1822.96,579 8.72,580 26579.1,585 303.58,586 1.646,587 4.907,588 0.214,589 0.008,590 0.092,591 0.062,592 0.035,593 0.033,594 0.018,595 0.016,596 0.011,597 0.009,598 0.499,599 0.33,600 1,601 0.765,602 167.297,603 -0.005,604 -0.181,605 0.167,606 -0.082,607 -0.105,608 0.015,609 0.137,610 0.073,611 0.042,612 0.091,613 0.206,614 0.063,615 -0.101,616 -0.003,617 -0.153,618 -0.094,619 -0.023,620 -0.093,621 -0.206,622 -0.142,623 -0.267,624 -0.185,625 -0.136,626 -0.22,627 -0.015,628 -0.066,629 0.03,630 -0.019,631 -0.07,632 -0.038,633 0.259,634 -0.03,635 0.149,636 -0.045,637 0.225,638 -0.042,639 -0.071,640 -0.012,641 0.073,642 0.041,643 -0.044,644 0.107,645 -0.109,646 0.124,647 -0.082,648 0.115,649 -0.15,650 0.104,651 4.714,652 5.543,653 0.625,654 33.406,655 1.024,656 1.129,657 2.196,658 4.823,659 0.685,660 3.584,661 3.951,662 4.22,663 4.466,664 4.673,665 4.828,666 4.97,667 5.081,668 5.124,669 5.159,670 7.022,671 0.665,672 456.54,673 3.584,674 5.153,675 6.014,676 6.911,677 7.794,678 8.698,679 9.592,680 10.501,681 11.401,682 12.313,683 7.5,685 1,691 2,693 1,698 2,699 10,700 1,704 5,705 2,706 21,714 1,723 1,724 53,726 24,727 2,728 35,730 56,731 22,733 17,734 5,735 7,736 1,739 4,740 5,745 1,753 18,754 4,756 3,760 1,761 3,765 1,769 1,770 1,772 21,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,830 1,832 3,834 1,836 1,838 1,840 32,844 1,845 1,846 3,847 1,861 1,862 7.5,864 1,865 3,869 17.083,870 9.693,871 6.875,872 2.944,874 3.599,875 1.465,876 0.995,877 6.156,878 11.335,879 3.902,880 4.585,881 5.162,882 5.747,883 6.234,884 6.63,885 7.051,886 7.397,887 7.606,888 7.853,889 0.875,890 51,891 12.137,893 5.576,894 8.164,895 21.989,897 18.354,899 2.664,900 85.25,903 1,904 223.651,905 139.424,906 36.989,908 112.141,909 14.96,910 5.807,911 133.616,912 335.792,913 51.949,914 8.825,915 6.317,916 97.594,917 161.997,918 32.461,919 31.632,920 188.338,922 223.651,923 170.605,924 127.101,925 5.807,927 238.611,928 112.141,931 53.012,932 100.808,933 22.593,935 238.611,936 149.13,937 139.424,939 5.807,940 223.651,941 31.744,942 105.671,943 16.405,944 143.887,945 223.651,946 164.09,947 139.424,949 0.596,950 0.345,951 0.174,952 0.093,953 25,954 12,955 0.143,956 8,957 1,958 1.1,959 4.202,960 297.067,961 0.1,962 20,963 154,967 1,968 22.216,969 8.867,970 4.632,971 1.602,972 160.292,973 14.687,974 4.061,978 1.49,979 3.863,980 59.088,981 527.165,982 48.5,986 -3.797,987 36.509,991 -1.012,994 54.258,995 59.827,996 0.32,997 0.712,998 0.867,999 0.932,1000 0.932,1001 0.932,1002 5.155,1003 1.653,1004 6.047,1005 6.319,1006 4.635,1007 5.273,1008 1.736,1009 6.923,1010 4.54,1011 6.42,1012 1.338,1013 7.659,1014 4.764,1015 4.443,1016 5.394,1018 8.132,1019 4.267,1020 7.784,1021 1.204,1022 9.382,1023 3.165,1024 6.333,1025 7.643,1026 2.269,1027 11.191,1028 6.132,1029 9.193,1030 1.13,1031 11.173,1032 2.871,1033 6.957,1034 8.59,1036 13.231,1037 6.668,1038 10.636,1039 1,1040 13.008,1041 2.575,1042 8.375,1043 10.366,1044 2.925,1045 15.889,1046 8.055,1047 12.106,1048 0.85,1049 14.875,1050 2.275,1051 9.34,1052 11.66,1054 18.23,1055 8.937,1056 13.596,1057 0.618,1058 16.764,1059 2.091,1060 10.604,1061 13.28,1062 3.619,1063 20.778,1064 10.161,1065 3.377,1066 0.32,1067 18.67,1068 1.372,1069 11.71,1070 14.72,1072 23.225,1073 11.193,1074 3.337,1075 12.404,1076 20.59,1077 0.836,1078 12.928,1079 16.289,1080 4.33,1081 25.741,1082 12.362,1083 2.721,1084 11.978,1085 22.521,1086 4.729,1087 14.092,1088 17.792,1090 28.225,1091 13.46,1092 2.521,1093 8.438,1094 24.461,1095 4.696,1096 15.298,1097 19.345,1098 5.047,1099 30.732,1100 14.613,1101 2.401,1102 7.487,1103 26.407,1104 3.582,1105 16.487,1106 20.874,1108 33.23,1109 15.741,1110 2.11,1111 6.829,1112 28.359,1113 3.448,1114 17.692,1115 22.423,1116 5.769,1117 35.735,1118 16.892,1119 2.027,1120 6.376,1121 30.315,1122 3.393,1123 18.892,1124 23.963,1126 38.237,1127 18.034,1128 13109,1129 24717,1130 22.77,1131 36.279,1132 53.558,1133 55.281,1134 54.709,1135 53.327,1136 53.211,1137 73.007,1138 3.916,1139 159.56,1140 50.764,1141 5.757,1142 6.683,1143 6.906,1144 5.382,1145 5.377,1146 7.729,1147 2.873,1148 19.639,1149 5.238,1150 18.36,1151 1.53,1152 1.579,1153 1.563,1154 1.524,1155 1.52,1156 2.086,1157 0.112,1158 4.559,1159 1.45,1160 4.183,1161 4.214,1162 4.735,1163 4.101,1164 8.201,1165 4.099,1166 4.057,1167 4.036,1168 4.139,1169 4.037,1170 7.717,1171 3.959,1172 3.884,1173 3.947,1174 3.829,1175 3.684,1176 7.475,1177 3.712,1178 3.681,1179 3.706,1180 3.724,1181 3.564,1182 6.999,1183 3.524,1184 3.577,1185 3.586,1186 3.546,1187 3.438,1188 6.351,1189 3.439,1190 3.334,1191 3.381,1192 3.212,1193 3.187,1194 4.974,1195 3.162,1196 3.176,1197 3.194,1198 3.084,1199 2.944,1200 4.852,1201 2.969,1202 3.023,1203 3.108,1204 2.838,1205 2.818,1206 4.585,1207 2.809,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.845,1214 0.135,1215 4.683,1216 0.041,1217 7.293,1218 0.354,1219 4.312,1220 0.093,1221 3.377,1222 4.729,1223 1.437,1224 12.404,1225 3.238,1226 1.963,1227 1.963,1228 2.034,1229 2.06,1230 1.238,1231 2.076,1232 1.944,1233 1.935,1234 1.966,1235 2.015,1236 1.185,1237 2.029,1238 1.763,1239 1.71,1240 1.91,1241 1.941,1242 1.129,1243 1.936,1244 1.547,1245 1.524,1246 1.718,1247 1.761,1248 0.945,1249 1.767,1250 1.406,1251 1.359,1252 1.624,1253 1.602,1254 0.72,1255 1.617,1256 1.315,1257 1.301,1258 1.473,1259 1.528,1260 0.536,1261 1.528,1262 1.284,1263 1.212,1264 1.293,1265 1.523,1266 0.444,1267 1.511,1268 1.084,1269 1.067,1270 1.181,1271 1.349,1272 0.307,1273 1.322,1274 4.263,1276 5.617,1277 3.045,1278 7.152,1279 5.416,1280 8.771,1281 7.535,1282 10.437,1284 1.916,1286 13.115,1289 9.356,1290 0.912,1291 2.549,1300 35.256,1301 97.234,1302 216.18,1303 263.173,1304 282.825,1305 282.825,1306 282.825,1307 80.023,1308 7.736,1309 106.22,1310 114.6,1311 22,1312 12.83,1313 4.644,1314 3.858,1315 51.637,1316 129,1317 156,1318 0.187,1319 218.446,1320 373.46,1321 524.767,1322 23991,1323 1.9,1324 22.88,1325 0.715,1326 0.563,1327 22.26,1328 18.011,1329 15.259,1330 0.436,1331 0.323,1332 9.779,1333 13.769,1334 9.445,1335 7.79,1336 15.686,1337 11.304,1338 14.555,1339 0.285,1340 0.179,1341 15.257,1342 9.114,1343 11.949,1344 0.178,1345 0.102,1346 12.646,1347 6.817,1348 9.517,1349 0.111,1350 0.055,1351 10.233,1352 4.731,1353 7.332,1354 0.069,1355 0.031,1356 7.853,1357 3.251,1358 0.291,1359 104.862,1360 0.21,1361 29.748,1362 0.519,1363 172,1364 617.596,1365 229.107,1366 587.941,1367 779.37,1368 540,1369 204,1370 532.991,1371 267.035,1372 568.788,1373 827.94,1374 532,1375 7.699} {0 CHEMBL102533,1 1.715,2 13.143,3 4.354,4 18.957,5 131.731,6 8.125,7 0.579,8 4.208,9 4.305,10 3.958,11 3.8,12 5.343,13 3.764,14 4.743,15 4.89,16 4.262,17 4.187,18 6.085,19 4.135,20 5.003,21 5.184,22 4.298,23 4.348,24 6.149,25 4.264,26 5.112,27 5.305,28 4.225,29 4.377,30 6.217,31 4.271,32 5.134,33 5.358,34 4.26,35 4.367,36 6.167,37 4.256,38 5.141,39 5.362,40 4.313,41 4.382,42 6.341,43 4.266,44 5.137,45 5.367,46 4.275,47 4.361,48 6.184,49 4.248,50 5.123,51 5.347,52 4.211,53 4.311,54 6.24,55 4.204,56 0.136,57 0.947,58 13.799,59 6.093,60 25.226,61 6.898,62 0.49,63 1.527,64 23.234,65 10.028,66 82.307,67 12.066,68 0.554,69 1.917,70 35.528,71 13.668,72 83.753,73 15.77,74 0.645,75 1.999,76 39.941,77 14.991,78 108.779,79 17.987,80 0.638,81 1.99,82 39.893,83 15.23,84 96.064,85 19.762,86 0.809,87 2.07,88 39.414,89 15.21,90 135.217,91 19.683,92 0.556,93 2.025,94 43.424,95 15.74,96 79.665,97 19.829,98 0.728,99 1.946,100 43.22,101 15.37,102 115.603,103 18.975,104 40,105 54,106 0.273,107 0.611,108 0.779,109 0.858,110 0.858,111 0.858,112 3.589,113 1.002,114 -3.86,115 -3.81,116 -3.62,118 42.6,119 1,120 3,124 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 13,169 1,171 1,172 7,175 3,177 1,180 16,181 1,186 9,189 1,191 3,194 16,195 1,198 8,203 3,206 12,207 2,209 2,210 6,215 6,218 11,219 2,222 6,227 5,229 8,230 1,233 1,234 13,235 1,239 3,242 6,243 1,246 1,247 9,250 1,252 4,255 10,256 2,259 8,264 3,267 14,268 2,270 2514,271 23.162,272 23.162,273 23.162,274 23.162,275 23.162,276 19.962,277 20.297,278 13.613,279 23.58,280 18.744,281 18.744,282 18.744,283 18.744,284 18.744,285 13.872,286 16.922,287 6.487,288 19.452,289 4.216,290 2.089,291 1.037,292 0.537,293 0.537,294 0.537,295 4.279,300 1,301 978,302 4.416,305 84.716,306 337.633,309 156.294,313 1.927,314 49.48,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 77,326 460,327 4.845,328 4.683,329 7.293,330 4.312,331 3.377,332 4.727,333 2.341,334 12.404,335 3.244,336 4.757,337 3.6,338 7.016,339 4.286,340 3.334,341 4.696,342 0.68,343 11.975,344 3.063,345 3.923,346 3.467,347 5.763,348 3.554,349 2.557,350 3.465,352 7.741,353 2.547,354 3.847,355 2.875,356 5.682,357 3.483,358 2.5,359 3.393,361 7.538,362 2.454,363 3.834,364 2.788,365 5.253,366 3.351,367 2.4,368 3.319,370 6.434,371 2.273,372 3.531,373 2.679,374 5.208,375 3.171,376 2.173,377 2.845,379 6.319,380 2.146,381 3.471,382 2.231,383 5.148,384 3.054,385 2.084,386 2.714,388 6.164,389 2.015,390 3.254,391 2.097,392 4.732,393 2.862,394 1.875,395 2.505,397 5.01,398 1.842,399 3.082,400 1.897,401 4.604,402 2.609,403 1.651,404 2.29,406 4.763,407 1.564,408 2.887,409 1.557,410 3.894,411 2.387,412 1.448,413 2.052,415 3.137,416 1.357,417 2.532,418 1.415,419 3.698,420 2.235,421 1.262,422 1.534,424 3.004,425 1.225,426 2.5,427 1.121,428 3.508,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.005,437 3.414,438 1.984,439 1,440 1.5,442 2.226,443 0.983,444 2.207,445 1,446 3.261,447 1.884,448 0.908,449 1.141,451 2.136,452 0.884,453 1.825,454 1,455 3.247,456 1.605,457 0.605,458 0.695,460 1.406,461 0.6,462 16.652,463 0.476,464 1.016,465 0.029,466 46.25,467 1.321,468 24.5,469 0.7,470 21.75,471 0.621,472 31.338,473 0.895,474 37.948,475 0.622,476 39.355,477 1.124,478 9.154,479 0.262,480 7.588,481 0.217,482 0.127,483 0.05,484 0.294,486 1,487 0.584,488 1.151,489 0.792,490 1.158,491 0.636,492 0.935,493 0.545,494 1.031,495 0.828,496 0.974,497 0.463,498 0.949,499 0.977,500 0.98,501 1.165,502 1.064,503 0.888,504 1.029,505 0.98,506 1.015,507 1.197,508 1.153,509 0.967,510 1.181,511 0.609,512 0.896,513 0.786,514 0.945,515 0.669,516 1.02,517 0.553,518 0.915,519 0.832,520 0.965,521 0.484,522 1.049,523 0.676,524 0.905,525 0.979,526 1.043,527 0.596,528 0.987,529 0.868,530 0.895,531 1.024,532 1.008,533 0.916,534 0.987,535 8,536 0.318,537 4.444,538 2.986,539 1.872,540 1.504,541 0.887,542 0.824,543 0.495,544 0.359,545 17695,546 58252,547 2.034,548 42.6,549 4,550 13,552 2,553 2,554 5,558 1.772,559 1.883,560 3.651,561 0.191,567 104.597,568 1.715,569 3.841,570 4.893,571 5.394,572 5.394,573 5.394,574 3.109,575 4.593,576 5.094,577 3.84,578 2284.91,579 8.975,580 36097.6,585 361.775,586 1.592,587 5.043,588 0.211,589 0.008,590 0.082,591 0.054,592 0.037,593 0.029,594 0.017,595 0.016,596 0.01,597 0.008,598 0.474,599 0.33,600 0.88,601 1.022,602 189.449,603 0.02,604 -0.087,605 0.162,606 -0.034,607 -0.093,608 0.035,609 0.181,610 -0.014,611 0.049,612 0.02,613 0.211,614 0.005,615 -0.133,616 0.045,617 -0.152,618 -0.018,619 -0.073,620 -0.049,621 -0.147,622 -0.09,623 -0.234,624 -0.15,625 -0.111,626 -0.191,627 0.047,628 -0.077,629 0.078,630 -0.017,631 -0.017,632 -0.008,633 0.159,634 -0.01,635 0.07,636 -0.017,637 0.171,638 -0.044,639 0.004,640 -0.026,641 0.041,642 -0.03,643 0.037,644 0.036,645 -0.021,646 -0.008,647 -0.013,648 -0.011,649 -0.046,650 0.024,651 4.686,652 5.604,653 0.6,654 43.709,655 1.013,656 1.124,657 2.626,658 6.894,659 0.681,660 3.664,661 4.007,662 4.248,663 4.5,664 4.754,665 4.86,666 5.017,667 5.159,668 5.242,669 5.328,670 7.757,671 0.653,672 495.62,673 3.664,674 5.22,675 6.066,676 6.954,677 7.826,678 8.723,679 9.609,680 10.512,681 11.407,682 12.316,683 4.9,685 1,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 61,726 25,727 2,728 38,730 64,731 26,733 19,734 5,735 7,739 4,740 5,745 1,751 3,753 20,754 6,756 3,760 1,761 3,765 1,770 1,772 26,773 7,774 2,775 9,776 1,779 3,784 0.75,785 4,795 1,797 1,801 1,802 3,805 1,818 1,830 1,832 3,834 1,836 1,838 1,840 35,844 1,845 1,846 5,847 1,861 1,862 6.6,864 1,865 3,869 18.583,870 11.076,871 7.597,872 3.551,874 3.601,875 1.453,876 0.986,877 7.537,878 11.548,879 3.97,880 4.627,881 5.17,882 5.756,883 6.313,884 6.616,885 7.021,886 7.403,887 7.651,888 7.957,889 0.889,890 55,891 13.252,893 5.975,894 8.069,895 24.396,897 20.336,899 2.569,900 89.917,904 282.506,905 158.441,906 35.09,908 112.141,909 14.96,910 5.807,911 152.633,912 394.648,913 50.05,914 8.825,915 11.815,916 107.499,917 153.379,918 42.795,919 19.861,920 258.964,922 282.506,923 187.723,924 127.101,925 5.807,927 297.467,928 112.141,931 57.039,932 113.898,933 22.593,935 297.467,936 147.231,937 158.441,939 5.807,940 282.506,941 40.427,942 114.105,943 16.405,944 143.887,945 282.506,946 162.191,947 158.441,949 0.587,950 0.328,951 0.168,952 0.098,953 25,954 12,955 0.156,956 10,957 1,958 1.095,959 4.483,960 329.325,961 0.095,962 21,963 169.525,967 1,968 24.902,969 10.594,970 5.897,971 1.968,972 160.292,973 18.001,974 4.078,978 3.648,979 2.069,980 59.088,981 603.138,982 52,986 -3.77,987 36.243,991 -0.843,994 61.807,995 68.575,996 0.289,997 0.648,998 0.825,999 0.909,1000 0.909,1001 0.909,1002 5.212,1003 1.875,1004 6.084,1005 6.164,1006 4.691,1007 5.316,1008 2.35,1009 6.934,1010 4.619,1011 6.462,1012 1.651,1013 7.676,1014 5.01,1015 4.443,1016 5.394,1017 2.243,1018 8.109,1019 4.29,1020 7.814,1021 1.448,1022 9.381,1023 4.763,1024 6.358,1025 7.655,1026 3.64,1027 11.169,1028 6.194,1029 9.209,1030 1.262,1031 11.157,1032 3.137,1033 6.929,1034 8.559,1035 4.112,1036 13.203,1037 6.666,1038 10.641,1039 1,1040 12.982,1041 3.004,1042 8.37,1043 10.36,1044 5.203,1045 15.866,1046 8.09,1047 12.101,1048 1,1049 14.842,1050 2.275,1051 9.305,1052 11.628,1053 5.889,1054 18.211,1055 8.928,1056 13.583,1057 0.908,1058 16.729,1059 2.226,1060 10.583,1061 13.267,1062 6.849,1063 20.763,1064 10.173,1065 3.377,1066 0.605,1067 18.635,1068 2.136,1069 11.678,1070 14.696,1071 7.625,1072 23.214,1073 11.183,1074 3.334,1075 12.404,1076 20.556,1077 1.406,1078 12.902,1079 16.276,1080 8.526,1081 25.733,1082 12.363,1083 2.557,1084 11.975,1085 22.489,1086 4.727,1087 14.064,1088 17.775,1089 9.342,1090 28.219,1091 13.453,1092 2.5,1093 7.741,1094 24.431,1095 4.696,1096 15.274,1097 19.334,1098 10.216,1099 30.728,1100 14.612,1101 2.4,1102 7.538,1103 26.38,1104 3.465,1105 16.464,1106 20.862,1107 11.051,1108 33.226,1109 15.738,1110 2.173,1111 6.434,1112 28.335,1113 3.393,1114 17.671,1115 22.414,1116 11.912,1117 35.732,1118 16.893,1119 2.084,1120 6.319,1121 30.294,1122 3.319,1123 18.873,1124 23.954,1125 12.755,1126 38.235,1127 18.037,1128 17110,1129 31242,1130 24.849,1131 41.557,1132 57.187,1133 59.134,1134 58.601,1135 57.175,1136 57.028,1137 77.501,1138 6.042,1139 166.77,1140 55.047,1141 5.752,1142 6.683,1143 7.095,1144 5.377,1145 5.377,1146 7.727,1147 3.925,1148 19.654,1149 5.244,1150 19.764,1151 1.505,1152 1.556,1153 1.542,1154 1.505,1155 1.501,1156 2.039,1157 0.159,1158 4.389,1159 1.449,1160 4.183,1161 4.212,1162 4.735,1163 4.11,1164 8.201,1165 4.107,1166 4.056,1167 4.036,1168 4.135,1169 4.04,1170 7.717,1171 3.959,1172 3.854,1173 3.896,1174 3.79,1175 3.761,1176 7.474,1177 3.762,1178 3.708,1179 3.749,1180 3.724,1181 3.579,1182 6.999,1183 3.566,1184 3.647,1185 3.661,1186 3.597,1187 3.528,1188 6.351,1189 3.49,1190 3.444,1191 3.468,1192 3.367,1193 3.267,1194 4.935,1195 3.274,1196 3.313,1197 3.359,1198 3.197,1199 3.172,1200 4.851,1201 3.15,1202 3.075,1203 3.165,1204 2.918,1205 2.892,1206 4.585,1207 2.877,1208 0.127,1209 0.123,1210 0.192,1211 0.113,1212 0.089,1213 4.845,1214 0.124,1215 4.683,1216 0.062,1217 7.293,1218 0.326,1219 4.312,1220 0.085,1221 3.377,1222 4.727,1223 2.341,1224 12.404,1225 3.244,1226 1.984,1227 1.967,1228 2.078,1229 2.068,1230 1.305,1231 2.081,1232 1.95,1233 1.955,1234 1.99,1235 2.027,1236 1.219,1237 2.053,1238 1.863,1239 1.826,1240 1.964,1241 1.985,1242 1.151,1243 1.99,1244 1.689,1245 1.637,1246 1.862,1247 1.869,1248 1.082,1249 1.872,1250 1.54,1251 1.506,1252 1.737,1253 1.726,1254 0.915,1255 1.723,1256 1.486,1257 1.482,1258 1.65,1259 1.678,1260 0.818,1261 1.698,1262 1.242,1263 1.215,1264 1.414,1265 1.432,1266 0.536,1267 1.465,1268 1.093,1269 1.019,1270 1.208,1271 1.325,1272 0.51,1273 1.36,1274 4.344,1276 5.68,1277 2.398,1278 7.203,1279 4.949,1280 8.81,1281 7.209,1282 10.466,1284 2.002,1286 13.165,1289 9.06,1290 1.701,1291 2.594,1300 39.815,1301 104.597,1302 234.331,1303 298.491,1304 329.02,1305 329.02,1306 329.02,1307 90.855,1308 7.947,1309 101.29,1310 109.67,1311 23,1312 12.835,1313 4.7,1314 3.907,1315 59.239,1316 158,1317 183,1318 0.178,1319 247.093,1320 429.02,1321 594.668,1322 31287,1323 1.6,1324 25.001,1325 0.714,1326 0.573,1327 24.381,1328 20.055,1329 16.742,1330 0.441,1331 0.334,1332 11.196,1333 15.336,1334 10.806,1335 8.914,1336 17.169,1337 12.692,1338 15.742,1339 0.292,1340 0.187,1341 16.444,1342 10.112,1343 12.476,1344 0.181,1345 0.109,1346 13.173,1347 7.505,1348 9.985,1349 0.112,1350 0.059,1351 10.702,1352 5.232,1353 8.316,1354 0.072,1355 0.032,1356 8.837,1357 3.719,1358 0.279,1359 113.148,1360 0.201,1361 32.252,1362 0.488,1363 184,1364 621.951,1365 238.97,1366 595.621,1367 788.96,1368 548,1369 215,1370 535.174,1371 274.317,1372 572.063,1373 828.33,1374 537,1375 7.108} {0 CHEMBL102692,1 1.779,2 12.912,3 3.839,4 14.736,5 126.693,6 8.214,7 0.568,8 4.186,9 4.286,10 3.947,11 3.742,12 5.323,13 3.717,14 4.727,15 4.882,16 4.254,17 4.135,18 6.074,19 4.095,20 4.966,21 5.148,22 4.261,23 4.284,24 6.116,25 4.203,26 5.085,27 5.282,28 4.217,29 4.31,30 6.201,31 4.218,32 5.098,33 5.321,34 4.254,35 4.307,36 6.144,37 4.211,38 5.136,39 5.361,40 4.297,41 4.338,42 6.343,43 4.226,44 5.129,45 5.376,46 4.245,47 4.286,48 6.158,49 4.174,50 5.045,51 5.271,52 4.227,53 4.203,54 6.231,55 4.112,56 0.157,57 0.962,58 13.366,59 5.7,60 25.593,61 6.47,62 0.578,63 1.536,64 22.994,65 9.292,66 81.729,67 11.197,68 0.619,69 1.852,70 34.309,71 12.978,72 83.357,73 14.969,74 0.749,75 1.945,76 39.214,77 13.674,78 111.773,79 16.564,80 0.746,81 1.934,82 38.2,83 13.741,84 91.467,85 17.906,86 0.91,87 2.037,88 39.264,89 14.508,90 135.564,91 18.995,92 0.701,93 1.952,94 44.609,95 14.553,96 92.21,97 18.935,98 0.889,99 1.79,100 42.504,101 13.657,102 102.463,103 16.614,104 40,105 53,106 0.285,107 0.641,108 0.811,109 0.876,110 0.876,111 0.876,112 3.561,113 0.994,114 -3.58,115 -3.55,116 -3.39,118 40.7,119 1,120 2,124 3,140 7,141 3,142 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 10,169 1,171 2,172 4,175 3,177 1,180 11,181 1,185 1,186 9,189 1,191 3,194 11,195 1,198 8,203 3,206 6,207 2,209 3,210 6,215 5,218 3,219 2,222 9,225 1,227 5,229 1,230 1,234 12,235 1,239 2,243 1,246 3,247 10,250 2,252 2,255 6,259 5,260 1,264 1,267 12,270 2422,271 22.455,272 22.455,273 22.455,274 22.455,275 22.455,276 19.385,277 21.403,278 13.113,279 22.968,280 18.244,281 18.244,282 18.244,283 18.244,284 18.244,285 13.537,286 19.659,287 6.237,288 19.124,289 4.104,290 1.881,291 0.82,292 0.42,293 0.42,294 0.42,295 4.25,300 1,301 934,302 4.416,305 170.511,306 219.356,309 153.187,313 1.804,314 49.27,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 75.5,326 439,327 4.845,328 4.683,329 7.293,330 4.309,331 3.377,332 4.725,333 2.341,334 12.404,335 3.232,336 4.756,337 3.6,338 7.015,339 4.285,340 3.333,341 4.696,342 0.522,343 11.972,344 3.063,345 3.97,346 3.461,347 5.814,348 3.57,349 2.607,350 3.517,352 7.984,353 2.53,354 3.835,355 2.875,356 5.605,357 3.405,358 2.455,359 3.393,361 7.148,362 2.312,363 3.816,364 2.777,365 5.314,366 3.352,367 2.401,368 3.301,370 6.616,371 2.273,372 3.53,373 2.588,374 5.188,375 3.161,376 2.169,377 2.832,379 6.32,380 2.128,381 3.467,382 2.298,383 5.148,384 3.069,385 2.101,386 2.717,388 6.172,389 2.026,390 3.269,391 2.081,392 4.732,393 2.867,394 1.886,395 2.525,397 5.014,398 1.842,399 3.082,400 1.897,401 4.604,402 2.61,403 1.652,404 2.29,406 4.764,407 1.565,408 2.63,409 1.483,410 3.914,411 2.279,412 1.316,413 1.671,415 3.135,416 1.264,417 2.507,418 1.254,419 3.601,420 2.075,421 1.14,422 1.504,424 2.585,425 1.064,426 2.5,427 1.109,428 3.469,429 2,430 1,431 1.5,433 2.275,434 1,435 2.196,436 1.003,437 3.414,438 1.878,439 0.901,440 1.126,442 2.146,443 0.878,444 2.118,445 1,446 3.184,447 1.591,448 0.618,449 0.927,451 1.372,452 0.586,453 1.815,454 0.757,455 3.052,456 1.554,457 0.591,458 0.681,460 1.362,461 0.577,462 16.052,463 0.472,464 1.016,465 0.03,466 44.5,467 1.309,468 22.5,469 0.662,470 22,471 0.647,472 30.058,473 0.884,474 37.348,475 0.633,476 37.887,477 1.114,478 8.833,479 0.26,480 7.409,481 0.218,482 0.132,483 0.052,484 0.299,486 1,487 0.614,488 1.273,489 0.785,490 1.215,491 0.635,492 0.959,493 0.597,494 0.994,495 0.832,496 0.928,497 0.464,498 0.908,499 0.961,500 1.01,501 1.174,502 1.116,503 0.895,504 1.073,505 1.021,506 1.052,507 1.192,508 1.146,509 0.978,510 1.162,511 0.666,512 0.901,513 0.812,514 0.942,515 0.679,516 1.028,517 0.562,518 0.934,519 0.843,520 0.991,521 0.48,522 1.083,523 0.713,524 0.882,525 0.937,526 0.984,527 0.618,528 0.933,529 0.886,530 0.835,531 1.075,532 0.989,533 0.92,534 0.893,535 8,536 0.292,537 4.444,538 3.021,539 1.756,540 1.476,541 0.843,542 0.822,543 0.514,544 0.348,545 16281,546 54772,547 2.035,548 42.4,549 5,550 13,551 1,552 2,553 2,554 2,558 1.765,559 1.88,560 3.604,561 0.235,563 1,567 104.94,568 1.779,569 4.002,570 5.062,571 5.463,572 5.463,573 5.463,574 3.07,575 4.617,576 5.052,577 3.801,578 2132.43,579 8.892,580 32838.4,585 347.076,586 1.611,587 4.999,588 0.216,589 0.007,590 0.084,591 0.058,592 0.036,593 0.03,594 0.017,595 0.017,596 0.011,597 0.008,598 0.484,599 0.33,600 0.88,601 1.04,602 182.122,603 0.007,604 -0.171,605 0.167,606 -0.073,607 -0.093,608 0.015,609 0.153,610 0.049,611 0.046,612 0.061,613 0.207,614 0.037,615 -0.12,616 0.018,617 -0.159,618 -0.051,619 -0.073,620 -0.081,621 -0.168,622 -0.117,623 -0.224,624 -0.148,625 -0.117,626 -0.179,627 0.022,628 -0.064,629 0.049,630 -0.027,631 -0.024,632 -0.03,633 0.154,634 -0.033,635 0.058,636 -0.047,637 0.169,638 -0.077,639 -0.013,640 -0.023,641 0.103,642 0.019,643 0.019,644 0.095,645 0.025,646 0.075,647 0.043,648 0.057,649 -0.001,650 0.113,651 4.696,652 5.612,653 0.588,654 40.941,655 1.017,656 1.13,657 2.35,658 5.525,659 0.675,660 3.638,661 3.989,662 4.234,663 4.489,664 4.7,665 4.836,666 4.99,667 5.142,668 5.215,669 5.278,670 7.548,671 0.649,672 484.6,673 3.638,674 5.198,675 6.047,676 6.938,677 7.813,678 8.712,679 9.6,680 10.505,681 11.401,682 12.31,683 6.8,685 1,691 2,693 1,698 2,699 10,700 1,704 5,705 2,706 21,723 1,724 59,726 24,727 2,728 37,730 62,731 24,733 17,734 5,735 7,739 4,740 5,745 1,751 2,753 18,754 6,756 3,760 1,761 3,765 1,770 1,772 25,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,818 1,830 1,832 3,834 1,836 1,838 1,840 34,844 1,845 1,846 5,847 1,861 1,862 6.8,864 1,865 3,869 18.083,870 10.693,871 7.347,872 3.382,874 3.544,875 1.451,876 0.987,877 7.173,878 11.405,879 3.942,880 4.605,881 5.15,882 5.738,883 6.221,884 6.585,885 6.995,886 7.375,887 7.609,888 7.882,889 0.889,890 52,891 12.879,893 5.83,894 8.096,895 23.622,897 19.685,899 2.596,900 88.25,904 270.735,905 144.493,906 36.989,908 112.141,909 14.96,910 5.807,911 138.685,912 382.877,913 51.949,914 8.825,915 11.386,916 97.594,917 161.997,918 32.461,919 31.632,920 235.422,922 270.735,923 175.674,924 127.101,925 5.807,927 285.695,928 112.141,931 58.081,932 100.808,933 22.593,935 285.695,936 149.13,937 144.493,939 5.807,940 270.735,941 36.813,942 105.671,943 16.405,944 143.887,945 270.735,946 164.09,947 144.493,949 0.589,950 0.331,951 0.169,952 0.093,953 25,954 12,955 0.161,956 10,957 1,958 1.1,959 4.404,960 317.723,961 0.1,962 20,963 166.974,967 1,968 24.148,969 10.1,970 5.579,971 1.937,972 160.292,973 15.828,974 4.101,978 2.484,979 4.005,980 59.088,981 579.318,982 50.5,986 -3.779,987 36.194,991 -0.844,994 60.025,995 66.658,996 0.302,997 0.68,998 0.861,999 0.929,1000 0.929,1001 0.929,1002 5.189,1003 1.886,1004 6.071,1005 6.172,1006 4.673,1007 5.293,1008 2.313,1009 6.927,1010 4.582,1011 6.442,1012 1.652,1013 7.666,1014 5.014,1015 4.443,1016 5.394,1017 2.243,1018 8.109,1019 4.267,1020 7.798,1021 1.316,1022 9.375,1023 4.764,1024 6.347,1025 7.641,1026 3.632,1027 11.167,1028 6.149,1029 9.198,1030 1.14,1031 11.154,1032 3.135,1033 6.938,1034 8.574,1035 4.112,1036 13.204,1037 6.642,1038 10.634,1039 1,1040 12.981,1041 2.585,1042 8.365,1043 10.351,1044 5.202,1045 15.866,1046 8.042,1047 12.097,1048 0.901,1049 14.842,1050 2.275,1051 9.312,1052 11.64,1053 5.889,1054 18.212,1055 8.897,1056 13.582,1057 0.618,1058 16.728,1059 2.146,1060 10.582,1061 13.263,1062 6.849,1063 20.763,1064 10.127,1065 3.377,1066 0.591,1067 18.635,1068 1.372,1069 11.682,1070 14.703,1071 7.625,1072 23.214,1073 11.147,1074 3.333,1075 12.404,1076 20.556,1077 1.362,1078 12.903,1079 16.274,1080 8.526,1081 25.732,1082 12.32,1083 2.607,1084 11.972,1085 22.489,1086 4.725,1087 14.067,1088 17.777,1089 9.342,1090 28.218,1091 13.414,1092 2.455,1093 7.984,1094 24.431,1095 4.696,1096 15.275,1097 19.332,1098 10.216,1099 30.727,1100 14.569,1101 2.401,1102 7.148,1103 26.38,1104 3.517,1105 16.465,1106 20.862,1107 11.051,1108 33.225,1109 15.697,1110 2.169,1111 6.616,1112 28.335,1113 3.393,1114 17.672,1115 22.412,1116 11.912,1117 35.731,1118 16.849,1119 2.101,1120 6.32,1121 30.294,1122 3.301,1123 18.873,1124 23.953,1125 12.755,1126 38.233,1127 17.992,1128 15742,1129 29057,1130 24.156,1131 39.801,1132 55.96,1133 57.592,1134 57.017,1135 55.846,1136 55.72,1137 75.513,1138 5.725,1139 164.168,1140 53.275,1141 5.757,1142 6.683,1143 6.906,1144 5.379,1145 5.377,1146 7.725,1147 3.925,1148 19.635,1149 5.232,1150 19.395,1151 1.512,1152 1.557,1153 1.541,1154 1.509,1155 1.506,1156 2.041,1157 0.155,1158 4.437,1159 1.44,1160 4.186,1161 4.218,1162 4.735,1163 4.105,1164 8.201,1165 4.103,1166 4.057,1167 4.036,1168 4.138,1169 4.038,1170 7.717,1171 3.959,1172 3.885,1173 3.949,1174 3.828,1175 3.689,1176 7.474,1177 3.715,1178 3.702,1179 3.742,1180 3.725,1181 3.571,1182 6.999,1183 3.554,1184 3.646,1185 3.661,1186 3.589,1187 3.518,1188 6.351,1189 3.49,1190 3.43,1191 3.451,1192 3.358,1193 3.254,1194 4.977,1195 3.262,1196 3.328,1197 3.379,1198 3.199,1199 3.186,1200 4.864,1201 3.161,1202 3.052,1203 3.132,1204 2.897,1205 2.854,1206 4.585,1207 2.849,1208 0.131,1209 0.127,1210 0.197,1211 0.116,1212 0.091,1213 4.845,1214 0.128,1215 4.683,1216 0.063,1217 7.293,1218 0.335,1219 4.309,1220 0.087,1221 3.377,1222 4.725,1223 2.341,1224 12.404,1225 3.232,1226 1.976,1227 1.965,1228 2.071,1229 2.067,1230 1.292,1231 2.081,1232 1.949,1233 1.947,1234 1.966,1235 2.021,1236 1.215,1237 2.046,1238 1.763,1239 1.71,1240 1.911,1241 1.944,1242 1.13,1243 1.938,1244 1.577,1245 1.541,1246 1.781,1247 1.783,1248 1.035,1249 1.786,1250 1.511,1251 1.489,1252 1.688,1253 1.72,1254 0.907,1255 1.721,1256 1.404,1257 1.359,1258 1.601,1259 1.601,1260 0.706,1261 1.614,1262 1.284,1263 1.229,1264 1.472,1265 1.524,1266 0.526,1267 1.511,1268 1.254,1269 1.205,1270 1.264,1271 1.455,1272 0.444,1273 1.485,1274 4.317,1276 5.659,1277 3.045,1278 7.179,1279 5.416,1280 8.782,1281 7.535,1282 10.437,1284 2.009,1286 13.161,1289 9.006,1290 1.558,1291 2.592,1300 38.31,1301 104.94,1302 236.099,1303 298.67,1304 322.321,1305 322.321,1306 322.321,1307 86.398,1308 7.861,1309 106.22,1310 114.6,1311 22,1312 12.829,1313 4.644,1314 3.858,1315 56.642,1316 146,1317 174,1318 0.18,1319 237.63,1320 408.06,1321 571.578,1322 28093,1323 1.7,1324 24.294,1325 0.715,1326 0.571,1327 23.674,1328 19.425,1329 16.242,1330 0.439,1331 0.331,1332 10.736,1333 14.745,1334 10.374,1335 8.553,1336 16.669,1337 12.261,1338 15.389,1339 0.29,1340 0.185,1341 16.09,1342 9.822,1343 12.226,1344 0.18,1345 0.107,1346 12.923,1347 7.262,1348 9.8,1349 0.111,1350 0.057,1351 10.516,1352 5.052,1353 7.743,1354 0.071,1355 0.032,1356 8.264,1357 3.523,1358 0.282,1359 110.761,1360 0.203,1361 31.449,1362 0.496,1363 180,1364 625.596,1365 237.107,1366 595.958,1367 788.77,1368 548,1369 211,1370 536.991,1371 273.37,1372 572.467,1373 829.6,1374 536,1375 6.87} {0 CHEMBL103580,1 1.469,2 9.182,3 3.188,4 10.166,5 85.474,6 7.359,7 0.667,8 3.777,9 3.89,10 3.328,11 3.364,12 4.916,13 3.334,14 4.279,15 4.439,16 3.669,17 3.753,18 5.441,19 3.694,20 4.51,21 4.7,22 3.637,23 3.878,24 5.508,25 3.782,26 4.602,27 4.831,28 3.534,29 3.883,30 5.502,31 3.746,32 4.552,33 4.801,34 3.574,35 3.819,36 5.488,37 3.7,38 4.497,39 4.703,40 3.522,41 3.765,42 5.546,43 3.657,44 4.481,45 4.74,46 3.347,47 3.616,48 5.434,49 3.482,50 4.3,51 4.581,52 3.126,53 3.336,54 5.31,55 3.201,56 0.032,57 0.548,58 8.062,59 3.717,60 8.315,61 4.762,62 0.152,63 0.884,64 14.364,65 6.241,66 34.085,67 8.394,68 0.176,69 1.075,70 19.171,71 7.788,72 33.489,73 10.381,74 0.172,75 1.138,76 21.974,77 8.994,78 32.774,79 12.359,80 0.112,81 1.077,82 21.237,83 8.67,84 26.123,85 12.206,86 0.151,87 1.032,88 19.435,89 7.653,90 31.72,91 10.307,92 0.181,93 0.995,94 20.422,95 7.536,96 30.129,97 10.636,98 0.237,99 0.799,100 17.723,101 6.107,102 32.276,103 8.829,104 13,105 33,106 0.259,107 0.636,108 0.796,109 0.856,110 0.856,111 0.856,112 3.147,113 0.918,114 -3.35,115 -3.33,116 -3.19,118 45,119 1,120 3,140 5,141 4,143 2,150 2,154 1,163 1,167 1,168 11,169 1,172 3,175 1,177 5,180 14,181 1,186 2,191 4,194 14,195 1,198 2,203 3,206 12,207 2,210 3,215 5,218 11,219 2,222 3,227 3,229 8,230 1,234 3,237 1,239 1,240 1,242 6,243 1,247 3,250 1,251 1,252 1,255 2,256 2,259 4,264 2,268 2,270 672,271 14.792,272 14.792,273 14.792,274 14.792,275 14.792,276 12.652,277 13.346,278 8.892,279 14.932,280 11.882,281 11.882,282 11.882,283 11.882,284 11.882,285 8.69,286 13.639,287 4.298,288 12.089,289 3.853,290 1.714,291 0.809,292 0.469,293 0.469,294 0.469,295 3.828,298 1,299 1,300 1,301 427,302 3,305 47.171,306 122.279,309 86.303,313 1.488,314 17.577,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 47,326 202,327 4.638,328 3.6,329 6.738,330 4.187,331 3.201,332 4.592,333 2.341,334 11.009,335 3.155,336 3.923,337 3.341,338 5.606,339 3.553,340 2.557,341 3.465,342 0.68,343 7.494,344 2.547,345 3.779,346 2.764,347 5.31,348 3.412,349 2.42,350 3.237,352 6.858,353 2.397,354 3.527,355 2.581,356 5.176,357 3.155,358 2.154,359 2.755,361 6.084,362 2.135,363 3.348,364 2.114,365 4.739,366 2.916,367 1.93,368 2.64,370 5.079,371 1.898,372 3.071,373 1.825,374 4.597,375 2.625,376 1.657,377 2.301,379 4.786,380 1.601,381 2.886,382 1.504,383 3.72,384 2.381,385 1.437,386 2.051,388 3.125,389 1.353,390 2.5,391 1.103,392 3.485,393 1.984,394 1,395 1.5,397 2.154,398 0.983,399 2.248,400 1,401 3.247,402 1.83,403 0.845,404 1.151,406 2.136,407 0.83,408 1.824,409 0.972,410 3.058,411 1.605,412 0.605,413 0.695,415 1.392,416 0.6,417 1.324,418 0.505,419 2.805,420 1.005,421 0.026,422 0.032,424 0.065,425 0.025,426 0.904,427 0.214,428 2.407,429 0.545,430 -0.444,431 -0.555,433 -1.084,434 -0.438,435 0.653,436 -0.139,437 2.236,438 0.25,439 -0.737,440 -0.879,442 -1.922,443 -0.715,444 0.572,445 -0.337,446 2.11,447 0.151,448 -0.845,449 -1.19,451 -2,452 -0.839,453 0.5,454 -0.738,455 1.755,456 -0.002,457 -1,458 -1.31,460 -2.347,461 -0.946,462 10.467,463 0.476,464 0.541,465 0.025,466 29,467 1.318,468 15.5,469 0.705,470 13.5,471 0.614,472 16.416,473 0.746,474 23.133,475 0.578,476 19.169,477 0.871,478 5.831,479 0.265,480 4.8,481 0.218,482 0.111,484 0.334,487 0.807,488 1.105,489 0.816,490 0.959,491 0.715,492 0.898,493 0.475,494 1.108,495 0.817,496 1.007,497 0.381,498 0.964,499 0.986,500 1.027,501 1.145,502 1.05,503 0.953,504 1.106,505 0.735,506 1.016,507 1.077,508 1.088,509 0.711,510 1.126,511 0.467,512 0.941,513 0.763,514 0.95,515 0.406,516 0.907,517 1.003,518 1.192,519 1.151,520 1.194,521 0.958,522 1.194,523 0.773,524 1.032,525 0.96,526 1.043,527 0.739,528 1.028,529 0.701,530 0.894,531 0.84,532 0.93,533 0.78,534 0.902,535 4.5,536 0.054,537 2,538 1.389,539 1.159,540 0.73,541 0.372,542 0.323,543 0.165,544 0.066,545 4827,546 13797,547 2.07,548 45,549 4,550 5,552 2,553 2,554 5,558 1.647,559 1.941,560 3.194,561 0.259,562 1,563 1,565 1,567 58.76,568 1.469,569 3.608,570 4.513,571 4.853,572 4.853,573 4.853,574 2.704,575 4.005,576 4.425,577 3.331,578 769.476,579 7.616,580 8422.76,581 1,582 1,583 1,584 1,585 212.877,586 1.395,587 4.392,588 0.188,589 0.008,590 0.061,591 0.045,592 0.043,593 0.025,594 0.014,595 0.015,596 0.01,597 0.007,598 0.415,599 0.5,600 1,601 1.203,602 100.914,603 -0.078,604 0.008,605 0.017,606 0.064,607 -0.07,608 0.055,609 0.188,610 -0.045,611 0.055,612 0.003,613 0.221,614 0.01,615 -0.173,616 0.003,617 -0.234,618 -0.059,619 -0.166,620 -0.139,621 -0.072,622 -0.053,623 -0.147,624 -0.085,625 -0.07,626 -0.12,627 0.085,628 0.003,629 0.18,630 0.058,631 0.118,632 0.122,633 -0.11,634 -0.199,635 -0.21,636 -0.214,637 -0.084,638 -0.225,639 0.035,640 -0.074,641 0.028,642 -0.079,643 0.007,644 -0.036,645 0.233,646 0.045,647 0.192,648 0.017,649 0.107,650 0.088,651 2.428,652 3.736,653 0.682,654 18.868,655 0.998,656 1.118,657 2.119,658 4.49,659 0.675,660 3.219,661 3.526,662 3.761,663 4.043,664 4.29,665 4.317,666 4.477,667 4.615,668 4.554,669 4.5,670 5.499,671 0.642,672 294.38,673 3.219,674 4.745,675 5.58,676 6.454,677 7.318,678 8.202,679 9.081,680 9.971,681 10.859,682 11.754,683 5,691 1,693 1,698 2,699 7,700 1,701 1,704 4,706 16,724 40,726 17,727 1,728 24,730 42,731 18,733 13,734 3,735 3,739 3,740 4,745 1,751 3,753 14,754 4,756 1,761 1,765 1,768 1,769 1,772 18,773 3,774 2,775 4,779 2,784 0.667,785 2,795 1,797 1,801 1,802 2,805 1,818 1,830 1,832 2,836 1,840 22,845 1,846 3,862 5,864 1,865 1,869 11.333,870 7.4,871 4.833,872 2.371,874 3.145,875 1.455,876 0.977,877 4.143,878 10.06,879 3.526,880 4.155,881 4.731,882 5.365,883 5.927,884 6.199,885 6.658,886 7.103,887 7.228,888 7.475,889 1,890 31,891 8.103,893 3.403,894 7.803,895 15.525,897 12.736,899 2.303,900 50.667,903 1,904 188.338,905 99.845,906 33.571,908 67.828,911 99.845,912 256.166,913 33.571,914 8.825,915 7.604,916 47.381,917 109.066,918 47.01,919 4.901,920 164.795,922 188.338,923 133.416,924 67.828,927 188.338,928 67.828,931 51.309,932 65.322,933 16.786,935 188.338,936 101.399,937 99.845,940 188.338,941 25.544,942 74.301,943 16.786,944 84.614,945 188.338,946 101.399,947 99.845,949 0.576,950 0.316,951 0.172,952 0.104,953 16,954 7,955 0.119,956 5,957 1,958 1.133,959 3.454,960 169.942,961 0.133,962 15,963 94.107,968 14.643,969 6.225,970 3.325,971 2.276,972 84.614,973 13.792,974 4.051,975 3.407,978 4.695,980 59.469,981 389.582,982 33,987 10.736,991 -0.762,994 39.927,995 44.737,996 0.276,997 0.678,998 0.848,999 0.912,1000 0.912,1001 0.912,1002 4.736,1003 1,1004 5.557,1005 3.125,1006 4.205,1007 4.84,1008 2.35,1009 6.344,1010 4.174,1011 5.953,1012 0.845,1013 7.096,1014 2.154,1015 3.761,1016 4.677,1017 2.243,1018 7.195,1019 3.727,1020 7.261,1021 0.605,1022 8.735,1023 2.136,1024 5.765,1025 7.089,1026 3.64,1027 10.309,1028 5.712,1029 8.606,1030 0.026,1031 10.436,1032 1.392,1033 6.133,1034 7.772,1035 4.112,1036 12.054,1037 6.076,1038 9.984,1039 -0.444,1040 12.178,1041 0.065,1042 7.624,1043 9.669,1044 5.203,1045 14.694,1046 7.548,1047 11.387,1048 -0.737,1049 13.951,1050 -1.084,1051 8.395,1052 10.782,1053 5.889,1054 16.832,1055 8.309,1056 12.812,1057 -0.845,1058 15.749,1059 -1.922,1060 9.674,1061 12.46,1062 6.849,1063 19.312,1064 9.572,1065 3.201,1066 -1,1067 17.566,1068 -2,1069 10.649,1070 13.793,1071 7.625,1072 21.611,1073 10.533,1074 2.557,1075 11.009,1076 19.4,1077 -2.347,1078 11.844,1079 15.376,1080 8.526,1081 24.036,1082 11.712,1083 2.42,1084 7.494,1085 21.247,1086 4.592,1087 12.917,1088 16.813,1089 9.342,1090 26.397,1091 12.77,1092 2.154,1093 6.858,1094 23.105,1095 3.465,1096 14.083,1097 18.359,1098 10.216,1099 28.804,1100 13.92,1101 1.93,1102 6.084,1103 24.973,1104 3.237,1105 15.203,1106 19.844,1107 11.051,1108 31.189,1109 15.023,1110 1.657,1111 5.079,1112 26.848,1113 2.755,1114 16.361,1115 21.375,1116 11.912,1117 33.59,1118 16.166,1119 1.437,1120 4.786,1121 28.729,1122 2.64,1123 17.502,1124 22.881,1125 12.755,1126 35.983,1127 17.291,1128 4766,1129 8126,1130 16.008,1131 27.012,1132 35.989,1133 36.516,1134 36.463,1135 35.673,1136 35.664,1137 48.836,1138 6.042,1139 100.363,1140 35.048,1141 5.444,1142 5.6,1143 6.54,1144 5.222,1145 5.201,1146 7.592,1147 3.925,1148 17.929,1149 5.155,1150 10.256,1151 1.5,1152 1.521,1153 1.519,1154 1.486,1155 1.486,1156 2.035,1157 0.252,1158 4.182,1159 1.46,1160 4.155,1161 4.186,1162 4.114,1163 4.08,1164 7.474,1165 4.085,1166 3.853,1167 3.894,1168 3.788,1169 3.76,1170 6.351,1171 3.761,1172 3.673,1173 3.713,1174 3.579,1175 3.529,1176 4.965,1177 3.532,1178 3.421,1179 3.454,1180 3.334,1181 3.251,1182 4.872,1183 3.261,1184 3.114,1185 3.193,1186 2.986,1187 2.936,1188 4.314,1189 2.935,1190 3.032,1191 3.095,1192 2.84,1193 2.811,1194 3.925,1195 2.813,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.778,1201 2.715,1202 2.815,1203 2.888,1204 2.673,1205 2.674,1206 3.674,1207 2.665,1208 0.193,1209 0.15,1210 0.281,1211 0.174,1212 0.133,1213 4.638,1214 0.191,1215 3.6,1216 0.098,1217 6.738,1218 0.459,1219 4.187,1220 0.131,1221 3.201,1222 4.592,1223 2.341,1224 11.009,1225 3.155,1226 1.979,1227 1.957,1228 2.075,1229 2.052,1230 1.299,1231 2.061,1232 1.855,1233 1.819,1234 1.98,1235 1.979,1236 1.151,1237 1.982,1238 1.603,1239 1.549,1240 1.787,1241 1.796,1242 0.94,1243 1.795,1244 1.532,1245 1.495,1246 1.731,1247 1.725,1248 0.862,1249 1.723,1250 1.12,1251 1.064,1252 1.415,1253 1.348,1254 0.535,1255 1.363,1256 0.977,1257 0.915,1258 1.224,1259 1.263,1260 0.31,1261 1.263,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.82,1269 0.756,1270 1.088,1271 1.045,1272 0.196,1273 1.045,1274 3.892,1276 5.198,1277 2.398,1278 6.691,1279 4.844,1280 8.271,1281 7.018,1282 9.903,1284 2.077,1289 8.83,1290 1.565,1300 25.687,1301 58.76,1302 144.332,1303 180.513,1304 194.122,1305 194.122,1306 194.122,1307 32.846,1308 6.915,1309 65.98,1310 65.98,1311 17,1312 12.281,1313 4.17,1314 3.322,1315 34.392,1316 70,1317 74,1318 0.241,1319 159.414,1320 268.64,1321 380.731,1322 8414,1324 15.527,1325 0.706,1326 0.567,1327 15.527,1328 12.465,1329 10.631,1330 0.443,1331 0.306,1332 7.277,1333 10.338,1334 7.059,1335 5.863,1336 10.631,1337 7.34,1338 9.691,1339 0.294,1340 0.168,1341 9.691,1342 5.534,1343 7.595,1344 0.181,1345 0.094,1346 7.595,1347 3.942,1348 6.296,1349 0.112,1350 0.049,1351 6.296,1352 2.769,1353 5.414,1354 0.075,1355 0.028,1356 5.414,1357 1.996,1358 0.371,1359 65.849,1360 0.25,1361 21.648,1362 0.679,1363 114,1364 315.863,1365 121.87,1366 311.31,1367 421.12,1368 290,1369 132,1370 304.033,1371 138.155,1372 311.678,1373 448.01,1374 293,1375 7.658} {0 CHEMBL104,1 1.354,2 6.36,3 5.223,4 27.279,5 102.112,6 8.211,7 0.821,8 3.83,9 3.934,10 3.503,11 3.522,12 4.951,13 3.477,14 4.308,15 4.441,16 3.871,17 3.919,18 5.36,19 3.855,20 4.582,21 4.759,22 4.022,23 4.105,24 5.524,25 4.014,26 4.719,27 4.885,28 4.248,29 4.264,30 5.743,31 4.191,32 4.911,33 5.063,34 4.42,35 4.472,36 6.026,37 4.382,38 5.098,39 5.307,40 4.273,41 4.471,42 6.138,43 4.315,44 4.892,45 5.176,46 3.508,47 4.028,48 5.738,49 3.786,50 4.221,51 4.577,52 2.022,53 3.091,54 4.822,55 2.737,56 0.021,57 0.511,58 6.907,59 3.392,60 7.5,61 4.547,62 0.092,63 0.865,64 12.381,65 5.536,66 13.212,67 7.352,68 0.099,69 1.1,70 20.273,71 8.388,72 20.873,73 11.306,74 0.187,75 1.275,76 24.323,77 9.167,78 20.009,79 12.12,80 0.138,81 1.526,82 26.756,83 11.048,84 29.016,85 14.632,86 0.301,87 1.831,88 42.268,89 15.022,90 55.198,91 19.944,92 0.248,93 1.54,94 38.508,95 13.782,96 48.784,97 18.796,98 0.146,99 0.808,100 21.801,101 7.815,102 26.215,103 10.928,104 2,105 39,106 0.233,107 0.405,108 0.555,109 0.684,110 0.756,111 0.771,112 3.27,113 0.917,114 -6.15,115 -6,116 -5.58,118 52.4,129 1,140 14,141 3,142 1,143 1,149 1,156 1,168 16,171 1,172 3,180 21,186 5,194 20,198 10,206 23,210 8,218 30,222 7,229 26,234 3,242 14,255 3,270 975,271 17.514,272 17.514,273 17.514,274 17.514,275 17.514,276 14.74,277 13.656,278 10.653,279 17.794,280 13.836,281 13.836,282 13.836,283 13.836,284 13.836,285 9.998,286 17.362,287 4.97,288 14.342,289 4.038,290 3.037,291 2.165,292 1.41,293 0.991,294 0.905,295 3.966,297 1,299 1,300 1,301 345,302 2.915,305 68.876,306 246.033,313 0.854,314 9.904,317 0.75,318 0.83,319 1,320 0.6,322 1,323 1,324 0.74,325 51.333,326 159,327 4.968,328 4.293,329 8.485,330 4.789,331 3.815,332 4.398,333 1.811,334 17.293,335 3.715,336 3.984,337 2.991,338 6.066,339 3.508,340 2.576,341 3.58,343 8.155,344 2.379,345 3.752,346 2.361,347 5.586,348 3.278,349 2.295,350 3.319,352 6.653,353 2.278,354 3.736,355 2.351,356 5.58,357 3.237,358 2.278,359 3.298,361 6.623,362 2.154,363 3.224,364 1.948,365 4.603,366 2.756,367 1.785,368 2.519,370 4.315,371 1.725,372 2.865,373 1.636,374 4,375 2.361,376 1.414,377 2.026,379 3.229,380 1.328,381 2.781,382 1.38,383 3.669,384 2.317,385 1.317,386 1.908,388 2.927,389 1.317,390 2.751,391 1.378,392 3.615,393 2.283,394 1.3,395 1.861,397 2.901,398 1.219,399 2.543,400 1.14,401 3.593,402 2.035,403 1.092,404 1.562,406 2.508,407 1.027,408 2.5,409 1,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.118,427 0.623,428 3.222,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.901,436 0.618,437 3,438 1.448,439 0.491,440 0.679,442 1.27,443 0.463,444 1.031,445 0.269,446 2.817,447 0.563,448 -0.272,449 -0.335,451 -0.611,452 -0.181,453 0.719,454 -0.529,455 2.703,456 0.295,457 -0.705,458 -0.952,460 -1.571,461 -0.705,462 12.514,463 0.501,464 0.427,465 0.017,466 37.5,467 1.5,468 22,469 0.88,470 15.5,471 0.62,472 17.524,473 0.701,474 24.086,475 0.573,476 27.584,477 1.103,478 7.611,479 0.304,480 4.721,481 0.189,482 0.057,483 0.04,484 0.192,487 0.665,488 1.091,489 0.596,490 0.838,491 0.7,492 0.807,493 0.898,494 1.021,495 0.759,496 0.892,497 0.879,498 0.917,499 0.862,500 1.002,501 0.825,502 0.897,503 0.831,504 0.886,505 1.08,506 0.932,507 0.905,508 0.83,509 0.785,510 0.801,511 1.08,512 1.089,513 0.967,514 0.987,515 0.838,516 0.996,517 1.285,518 1.105,519 1.36,520 1.225,521 1.355,522 1.217,523 1.071,524 1.018,525 1.222,526 1.18,527 1.309,528 1.19,529 0.737,530 0.764,531 0.923,532 0.947,533 1.005,534 0.973,535 3.5,537 3.111,538 2.778,539 1.443,540 0.494,541 0.541,542 0.246,545 5679,546 14775,547 2.169,548 40.5,550 14,551 1,552 2,558 1.698,559 2.098,560 2.608,561 -0.869,567 56.883,568 1.354,569 2.356,570 3.228,571 3.982,572 4.402,573 4.488,574 2.032,575 3.539,576 4.617,577 2.78,578 833.879,579 8.081,580 9898.62,585 226.477,586 1.177,587 4.597,588 0.125,590 0.08,591 0.063,592 0.026,593 0.008,594 0.011,595 0.012,598 0.326,599 0.5,600 0.88,601 0.372,602 114.136,603 0.026,604 -0.109,605 0.031,606 -0.021,607 -0.048,608 0.01,609 -0.006,610 0.007,611 -0.054,612 -0.055,613 -0.159,614 -0.084,615 0.007,616 -0.034,617 0.049,618 0.034,619 -0.025,620 0.045,621 0.035,622 0.078,623 0.053,624 0.084,625 0.103,626 0.098,627 -0.078,628 -0.109,629 -0.049,630 -0.085,631 0.088,632 -0.109,633 -0.102,634 -0.145,635 -0.2,636 -0.226,637 -0.129,638 -0.236,639 -0.087,640 -0.064,641 -0.112,642 -0.1,643 -0.159,644 -0.098,645 0.05,646 0.192,647 0.136,648 0.218,649 0.026,650 0.234,651 1.836,652 2.58,653 0.92,654 15.92,655 0.99,656 1.101,657 4.925,658 24.255,659 0.737,660 3.367,661 3.689,662 4.078,663 4.443,664 4.673,665 4.71,666 4.804,667 4.771,668 4.554,669 4.205,670 4.448,671 0.692,672 344.86,673 3.367,674 4.905,675 5.796,676 6.713,677 7.64,678 8.576,679 9.516,680 10.46,681 11.404,682 12.351,683 4.8,691 1,693 1,699 17,700 1,704 4,705 1,706 23,723 1,724 42,726 23,727 3,728 28,730 45,731 22,733 21,734 4,735 14,739 4,740 4,741 1,753 21,754 1,755 1,772 17,773 1,775 3,776 1,778 1,779 2,784 1,801 1,802 3,832 4,837 1,840 25,852 1,861 1,869 11.917,870 7.46,871 5.611,872 2.436,874 2.356,875 1.346,876 1.012,877 4.227,878 9.173,879 3.701,880 4.301,881 4.932,882 5.575,883 6.098,884 6.342,885 6.808,886 7.17,887 7.346,888 7.403,889 1,890 44,891 9.184,893 3.907,894 7.541,895 17.791,897 14.796,899 2.041,900 51.028,904 200.109,905 172.438,906 18.685,907 39.149,911 172.438,912 239.257,913 18.685,916 141.715,917 48.946,918 24.004,919 11.771,920 164.795,921 39.149,922 200.109,923 191.123,925 39.149,927 200.109,931 19.565,932 154.772,933 55.934,935 200.109,936 18.685,937 211.587,940 200.109,941 13.057,942 161.28,944 55.934,945 200.109,946 18.685,947 211.587,949 0.567,950 0.357,951 0.229,952 0.132,953 20,954 7,955 0.089,956 4,958 1,959 3.469,960 231.64,962 23,963 96.096,968 15.829,969 6.676,970 2.602,972 16.786,973 34.474,974 4.314,978 4.01,979 2.124,981 430.38,982 39.5,994 41.596,995 46.262,996 0.251,997 0.437,998 0.599,999 0.739,1000 0.816,1001 0.832,1002 4.911,1003 1.3,1004 5.79,1005 2.927,1006 4.369,1007 4.987,1008 1.688,1009 6.753,1010 4.3,1011 6.122,1012 1.092,1013 7.438,1014 2.901,1015 4.007,1016 4.527,1017 1.827,1018 8.37,1019 3.871,1020 7.44,1021 1,1022 9.241,1023 2.508,1024 6.094,1025 7.168,1026 2.503,1027 11.644,1028 5.968,1029 8.815,1030 1,1031 11.154,1032 2.136,1033 6.781,1034 7.655,1035 3.003,1036 14.217,1037 6.607,1038 10.24,1039 0.618,1040 13.141,1041 2.136,1042 8.318,1043 9.65,1044 3.596,1045 17.152,1046 8.143,1047 11.705,1048 0.491,1049 15.179,1050 1.372,1051 9.435,1052 10.605,1053 4.169,1054 19.944,1055 9.225,1056 13.2,1057 -0.272,1058 17.249,1059 1.27,1060 10.817,1061 12.315,1062 4.759,1063 22.813,1064 10.594,1065 3.815,1066 -0.705,1067 19.342,1068 -0.611,1069 12.084,1070 13.516,1071 5.348,1072 25.651,1073 11.833,1074 2.576,1075 17.293,1076 21.45,1077 -1.571,1078 13.429,1079 15.094,1080 5.94,1081 28.506,1082 13.158,1083 2.295,1084 8.155,1085 23.567,1086 4.398,1087 14.744,1088 16.427,1089 6.532,1090 31.353,1091 14.447,1092 2.278,1093 6.653,1094 25.691,1095 3.58,1096 16.082,1097 17.945,1098 7.125,1099 34.204,1100 15.762,1101 1.785,1102 6.623,1103 27.819,1104 3.319,1105 17.413,1106 19.348,1107 7.718,1108 37.054,1109 17.067,1110 1.414,1111 4.315,1112 29.951,1113 3.298,1114 18.751,1115 20.84,1116 8.312,1117 39.905,1118 18.379,1119 1.317,1120 3.229,1121 32.085,1122 2.519,1123 20.087,1124 22.28,1125 8.906,1126 42.755,1127 19.689,1128 5447,1129 8878,1130 19.356,1131 30.961,1132 42.564,1133 41.977,1134 43.46,1135 42.155,1136 41.964,1137 58.153,1138 3.621,1139 123.037,1140 40.367,1141 5.741,1142 6.293,1143 8.287,1144 5.847,1145 5.815,1146 7.398,1147 2.491,1148 25.633,1149 5.715,1150 5.876,1151 1.52,1152 1.499,1153 1.552,1154 1.506,1155 1.499,1156 2.077,1157 0.129,1158 4.394,1159 1.442,1160 4.104,1161 4.136,1162 4.109,1163 4.035,1164 5.014,1165 4.035,1166 3.813,1167 3.841,1168 3.869,1169 3.765,1170 4.888,1171 3.754,1172 3.808,1173 3.841,1174 3.729,1175 3.753,1176 4.751,1177 3.743,1178 3.784,1179 3.84,1180 3.721,1181 3.604,1182 4.688,1183 3.628,1184 3.119,1185 3.161,1186 3.293,1187 3.04,1188 4.338,1189 3.034,1190 2.879,1191 2.925,1192 3.033,1193 2.799,1194 3.877,1195 2.77,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.674,1201 2.715,1202 2.854,1203 2.922,1204 2.687,1205 2.735,1206 3.674,1207 2.715,1208 0.177,1209 0.153,1210 0.303,1211 0.171,1212 0.136,1213 4.968,1214 0.157,1215 4.293,1216 0.065,1217 8.485,1218 0.618,1219 4.789,1220 0.133,1221 3.815,1222 4.398,1223 1.811,1224 17.293,1225 3.715,1226 2.036,1227 2.015,1228 2.114,1229 2.105,1230 1.32,1231 2.11,1232 1.824,1233 1.794,1234 1.961,1235 1.905,1236 1.01,1237 1.926,1238 1.82,1239 1.794,1240 1.934,1241 1.893,1242 1.007,1243 1.913,1244 1.453,1245 1.397,1246 1.6,1247 1.655,1248 0.7,1249 1.642,1250 1.288,1251 1.222,1252 1.45,1253 1.523,1254 0.43,1255 1.508,1256 0.991,1257 0.939,1258 1.192,1259 1.133,1260 0.243,1261 1.158,1262 0.886,1263 0.824,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.361,1277 2.398,1278 6.925,1279 4.443,1280 8.611,1281 6.326,1282 10.37,1285 6.691,1296 -0.586,1300 29.085,1301 56.883,1302 98.933,1303 135.565,1304 167.258,1305 184.868,1306 188.477,1307 32.52,1308 6.817,1309 17.82,1310 17.82,1311 23,1312 12.843,1313 4.585,1314 3.644,1315 35.123,1316 59,1317 70,1318 0.271,1319 181.948,1320 304.29,1321 435.714,1322 5825,1323 2.4,1324 17.115,1325 0.685,1326 0.574,1327 17.615,1328 14.343,1329 12.331,1330 0.44,1331 0.306,1332 8.165,1333 11.874,1334 7.944,1335 6.601,1336 12.62,1337 8.555,1338 10.519,1339 0.27,1340 0.162,1341 10.89,1342 6.299,1343 9.441,1344 0.163,1345 0.084,1346 9.786,1347 4.868,1348 8.598,1349 0.102,1350 0.045,1351 8.928,1352 3.758,1353 7.04,1354 0.066,1355 0.025,1356 7.375,1357 2.644,1358 0.389,1359 78.216,1360 0.227,1361 22.954,1362 0.89,1363 134,1364 317.494,1365 153.71,1366 353.129,1367 490.48,1368 332,1369 164,1370 350.497,1371 180.9,1372 371.982,1373 550.26,1374 352,1375 7.854} {0 CHEMBL105139,1 1.61,2 7.714,3 3.793,4 14.388,5 88.19,6 7.88,7 0.696,8 3.736,9 3.849,10 3.406,11 3.354,12 4.858,13 3.295,14 4.227,15 4.404,16 3.816,17 3.738,18 5.25,19 3.661,20 4.364,21 4.515,22 3.885,23 3.875,24 5.43,25 3.777,26 4.563,27 4.743,28 3.818,29 3.919,30 5.599,31 3.79,32 4.551,33 4.77,34 3.685,35 3.84,36 5.538,37 3.701,38 4.454,39 4.675,40 3.622,41 3.752,42 5.466,43 3.614,44 4.452,45 4.699,46 3.419,47 3.607,48 5.464,49 3.444,50 4.263,51 4.56,52 2.855,53 3.278,54 5.138,55 3.052,56 0.034,57 0.561,58 7.956,59 3.611,60 8.396,61 4.456,62 0.135,63 0.915,64 15.94,65 5.912,66 11.961,67 7.689,68 0.051,69 1.017,70 17.412,71 7.48,72 12.228,73 9.136,74 0.267,75 1.198,76 27.432,77 9.349,78 32.935,79 10.583,80 0.216,81 1.16,82 24.131,83 8.814,84 28.099,85 11.157,86 0.216,87 1.08,88 22.095,89 7.898,90 25.076,91 10.028,92 0.265,93 1.017,94 22.917,95 7.609,96 36.471,97 9.829,98 0.22,99 0.779,100 19.552,101 6.733,102 33.068,103 8.885,104 18,105 33,106 0.288,107 0.647,108 0.806,109 0.835,110 0.863,111 0.863,112 3.105,113 0.993,114 -3.48,115 -3.46,116 -3.3,118 42.1,119 2,120 1,123 1,140 2,141 4,142 1,143 2,144 1,150 1,158 1,168 7,172 4,175 1,177 3,180 7,186 5,191 3,194 9,198 4,203 4,206 8,210 2,213 1,215 4,218 6,221 1,222 2,226 1,227 3,229 4,234 2,237 1,239 2,242 3,247 1,250 1,252 1,255 1,270 549,271 14.146,272 14.146,273 14.146,274 14.146,275 14.146,276 12.087,277 16.07,278 8.189,279 14.551,280 11.247,281 11.247,282 11.247,283 11.247,284 11.247,285 8.189,286 21.75,287 3.814,288 11.945,289 3.638,290 1.633,291 0.744,292 0.586,293 0.428,294 0.428,295 3.779,298 1,299 1,300 1,301 344,302 2.449,305 41.146,306 111.468,309 77.638,313 1.088,314 15.685,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 162,327 4.752,328 3.484,329 6.971,330 4.289,331 3.328,332 4.722,333 0.68,334 11.74,335 3.207,336 3.998,337 2.862,338 6.007,339 3.574,340 2.625,341 3.549,342 0.4,343 8.387,344 2.537,345 3.919,346 2.764,347 5.958,348 3.491,349 2.553,350 3.452,352 8.092,353 2.341,354 3.662,355 2.412,356 5.302,357 3.231,358 2.251,359 3.117,361 6.715,362 2.202,363 3.32,364 2.185,365 5.137,366 2.892,367 1.984,368 2.585,370 6.033,371 1.775,372 2.894,373 1.578,374 4.047,375 2.423,376 1.461,377 2.058,379 3.165,380 1.404,381 2.5,382 1.135,383 3.883,384 1.956,385 1,386 1.5,388 2.556,389 0.954,390 2.297,391 1.079,392 3.537,393 1.738,394 0.873,395 1.215,397 2.136,398 0.743,399 1.928,400 1,401 3.247,402 1.676,403 0.72,404 0.833,406 1.842,407 0.68,408 1.476,409 0.712,410 2.984,411 1.224,412 0.328,413 0.367,415 0.583,416 0.291,417 1.362,418 0.594,419 2.709,420 1.134,421 0.22,422 0.241,424 0.416,425 0.198,426 0.94,427 -0.147,428 2.621,429 0.565,430 -0.398,431 -0.505,433 -0.978,434 -0.381,435 0.5,436 -0.755,437 2,438 -0.023,439 -1,440 -1.307,442 -2.347,443 -0.919,444 0.391,445 -0.852,446 1.732,447 -0.056,448 -1,449 -1.35,451 -2.677,452 -0.974,453 0.158,454 -0.915,455 1.589,456 -0.215,457 -1.135,458 -1.442,460 -2.794,461 -1.019,462 10.367,463 0.494,464 0.559,465 0.027,466 28.25,467 1.345,468 15,469 0.714,470 13.25,471 0.631,472 17.464,473 0.832,474 22.033,475 0.58,476 17.678,477 0.842,478 5.468,479 0.26,480 4.645,481 0.221,482 0.177,484 0.386,487 0.972,488 1.134,489 0.768,490 0.87,491 0.981,492 0.871,493 0.721,494 0.872,495 0.698,496 0.777,497 0.644,498 0.707,499 0.861,500 1.181,501 0.93,502 1.087,503 0.853,504 1.031,505 1.585,506 1.137,507 1.498,508 1.314,509 1.725,510 1.16,511 0.981,512 1.109,513 1.078,514 1.097,515 0.966,516 1.094,517 0.847,518 1.064,519 1.106,520 1.103,521 0.683,522 1.086,523 1.205,524 1.067,525 1.076,526 1.065,527 1.201,528 1.104,529 1.108,530 0.818,531 0.905,532 0.866,533 1.278,534 0.991,535 4,536 0.012,537 2.444,538 1.785,539 1.828,540 0.865,541 0.534,542 0.247,543 0.094,544 0.041,545 3806,546 10243,547 2.045,548 44.7,549 8,550 5,552 2,553 2,558 1.639,559 1.881,560 2.943,561 0.331,563 1,565 1,567 61.179,568 1.61,569 3.615,570 4.504,571 4.662,572 4.82,573 4.82,574 2.398,575 4.011,576 4.362,577 3.036,578 637.632,579 7.514,580 6559.61,581 1,582 1,583 1,584 1,585 199.421,586 1.51,587 4.305,588 0.174,589 0.012,590 0.074,591 0.051,592 0.059,593 0.031,594 0.021,595 0.013,596 0.009,597 0.01,598 0.454,599 0.67,600 1,601 0.874,602 92.396,603 -0.098,604 -0.042,605 0.052,606 0.076,607 -0.13,608 0.051,609 0.09,610 0.196,611 0.247,612 0.21,613 0.038,614 0.25,615 -0.008,616 -0.147,617 0.022,618 -0.068,619 0.032,620 -0.067,621 -0.265,622 -0.095,623 -0.304,624 -0.199,625 -0.283,626 -0.2,627 -0.007,628 -0.13,629 -0.113,630 -0.126,631 0.008,632 -0.128,633 0.062,634 -0.047,635 -0.114,636 -0.126,637 0.109,638 -0.126,639 -0.033,640 -0.115,641 -0.1,642 -0.123,643 0.005,644 -0.146,645 -0.034,646 0.031,647 0.017,648 0.043,649 -0.093,650 0.009,651 1.298,652 4.388,653 0.714,654 14.435,655 0.997,656 1.119,657 2.252,658 5.07,659 0.696,660 3.178,661 3.526,662 3.85,663 4.127,664 4.382,665 4.489,666 4.533,667 4.585,668 4.477,669 4.304,670 4.679,671 0.649,672 299.43,673 3.178,674 4.727,675 5.602,676 6.5,677 7.399,678 8.308,679 9.217,680 10.132,681 11.046,682 11.963,683 7.9,688 1,693 2,698 2,699 4,700 2,703 1,704 6,706 16,717 1,721 1,724 38,726 16,727 1,728 23,730 40,731 16,733 12,734 6,739 3,740 4,745 2,751 1,753 12,754 4,769 1,772 17,773 4,774 2,775 5,776 1,779 3,784 0.667,785 1,795 1,801 1,802 2,805 1,832 2,834 1,836 3,840 21,845 1,846 1,847 1,855 1,862 2.6,864 1,869 11.167,870 7.85,871 4.667,872 2.193,874 3.06,875 1.45,876 0.977,877 3.809,878 9.862,879 3.466,880 4.155,881 4.817,882 5.464,883 6.035,884 6.392,885 6.741,886 7.141,887 7.263,888 7.386,889 1,890 35,891 7.74,893 3.245,894 7.651,895 14.897,897 12.164,899 2.151,900 45.167,901 0.001,904 176.567,905 113.039,906 51.582,908 42.683,910 31.278,911 81.762,912 219.25,913 51.582,914 26.047,915 2.535,916 18.952,917 117.807,918 33.482,919 0.746,920 184.302,922 176.567,923 133.343,924 42.683,925 31.278,927 176.567,928 42.683,931 40.925,932 40.837,933 51.582,934 31.278,935 176.567,936 94.265,937 113.039,940 176.567,941 49.945,942 63.094,943 18.011,944 76.254,945 176.567,946 94.265,947 113.039,949 0.585,950 0.361,951 0.194,952 0.112,953 17,954 8,955 0.075,956 3,957 1,958 1.133,959 3.211,960 167.95,961 0.133,962 15,963 92.239,964 1,968 14.27,969 5.605,970 2.486,971 2.016,972 94.265,973 7.588,974 8.825,977 1.574,978 5.217,980 60.694,981 383.871,982 31,994 37.894,995 42.531,996 0.307,997 0.689,998 0.858,999 0.888,1000 0.918,1001 0.918,1002 4.7,1003 0.873,1004 5.609,1005 2.556,1006 4.205,1007 4.84,1008 0.809,1009 6.475,1010 4.097,1011 5.948,1012 0.72,1013 7.209,1014 2.136,1015 3.892,1016 4.808,1018 7.476,1019 3.757,1020 7.289,1021 0.328,1022 8.91,1023 1.842,1024 5.849,1025 7.175,1026 0.391,1027 10.636,1028 5.661,1029 8.672,1030 0.22,1031 10.67,1032 0.583,1033 6.365,1034 7.982,1036 12.452,1037 6.144,1038 10.087,1039 -0.398,1040 12.467,1041 0.416,1042 7.808,1043 9.834,1044 0.187,1045 15.161,1046 7.551,1047 11.526,1048 -1,1049 14.29,1050 -0.978,1051 8.691,1052 11.031,1054 17.33,1055 8.399,1056 12.984,1057 -1,1058 16.132,1059 -2.347,1060 9.957,1061 12.69,1062 0.089,1063 19.887,1064 9.634,1065 3.328,1066 -1.135,1067 17.99,1068 -2.677,1069 11.01,1070 14.077,1072 22.217,1073 10.651,1074 2.625,1075 11.74,1076 19.859,1077 -2.794,1078 12.217,1079 15.663,1080 0.042,1081 24.717,1082 11.827,1083 2.553,1084 8.387,1085 21.739,1086 4.722,1087 13.348,1088 17.139,1090 27.119,1091 12.923,1092 2.251,1093 8.092,1094 23.628,1095 3.549,1096 14.54,1097 18.699,1098 0.019,1099 29.597,1100 14.083,1101 1.984,1102 6.715,1103 25.524,1104 3.452,1105 15.706,1106 20.217,1108 32.033,1109 15.214,1110 1.461,1111 6.033,1112 27.426,1113 3.117,1114 16.898,1115 21.769,1116 0.009,1117 34.502,1118 16.371,1119 1,1120 3.165,1121 29.334,1122 2.585,1123 18.081,1124 23.305,1126 36.952,1127 17.519,1128 3790,1129 6316,1130 15.027,1131 26.449,1132 34.564,1133 35.422,1134 36.758,1135 34.596,1136 34.684,1137 47.277,1138 2.16,1139 103.326,1140 32.662,1141 5.517,1142 5.484,1143 6.773,1144 5.408,1145 5.328,1146 7.722,1147 1.36,1148 19.74,1149 5.207,1150 10.78,1151 1.503,1152 1.54,1153 1.598,1154 1.504,1155 1.508,1156 2.056,1157 0.094,1158 4.492,1159 1.42,1160 4.108,1161 4.121,1162 4.336,1163 4.091,1164 6.468,1165 4.059,1166 3.846,1167 3.885,1168 3.821,1169 3.76,1170 4.942,1171 3.755,1172 3.53,1173 3.591,1174 3.604,1175 3.429,1176 4.864,1177 3.387,1178 3.307,1179 3.377,1180 3.183,1181 3.175,1182 4.302,1183 3.164,1184 3.213,1185 3.298,1186 3.045,1187 3,1188 3.999,1189 2.987,1190 3.042,1191 3.128,1192 2.856,1193 2.882,1194 3.971,1195 2.852,1196 2.773,1197 2.853,1198 2.657,1199 2.585,1200 3.829,1201 2.566,1202 2.759,1203 2.84,1204 2.608,1205 2.488,1206 3.71,1207 2.463,1208 0.207,1209 0.151,1210 0.303,1211 0.186,1212 0.145,1213 4.752,1214 0.205,1215 3.484,1216 0.03,1217 6.971,1218 0.51,1219 4.289,1220 0.139,1221 3.328,1222 4.722,1223 0.68,1224 11.74,1225 3.207,1226 1.989,1227 1.975,1228 2.062,1229 2.06,1230 1.307,1231 2.066,1232 1.804,1233 1.772,1234 1.913,1235 1.917,1236 1.021,1237 1.92,1238 1.469,1239 1.418,1240 1.688,1241 1.71,1242 0.761,1243 1.721,1244 1.315,1245 1.233,1246 1.635,1247 1.517,1248 0.696,1249 1.564,1250 1.187,1251 1.125,1252 1.483,1253 1.395,1254 0.604,1255 1.428,1256 0.98,1257 0.915,1258 1.235,1259 1.188,1260 0.412,1261 1.208,1262 0.932,1263 0.874,1264 1.025,1265 1.101,1266 0.21,1267 1.147,1268 0.726,1269 0.639,1270 1.005,1271 0.986,1272 0.039,1273 1.003,1274 3.85,1276 5.187,1277 2.398,1278 6.732,1279 4.727,1280 8.375,1281 6.862,1282 10.076,1284 5.753,1289 10.388,1290 0.719,1291 3.087,1300 24.654,1301 61.179,1302 137.367,1303 171.157,1304 177.157,1305 183.157,1306 183.157,1307 30.191,1308 6.801,1309 58.04,1310 86.28,1311 17,1312 12.474,1313 4.087,1314 3.17,1315 31.897,1316 57,1317 61,1318 0.28,1319 157.086,1320 257.4,1321 375.05,1322 6791,1324 14.983,1325 0.713,1326 0.623,1327 15.336,1328 13.083,1329 10.113,1330 0.44,1331 0.331,1332 6.796,1333 9.406,1334 6.415,1335 5.39,1336 10.522,1337 7.613,1338 9.054,1339 0.274,1340 0.184,1341 9.697,1342 6.061,1343 8.228,1344 0.179,1345 0.107,1346 9.096,1347 4.927,1348 6.492,1349 0.106,1350 0.057,1351 7.349,1352 3.466,1353 5.315,1354 0.067,1355 0.031,1356 6.096,1357 2.474,1358 0.416,1359 66.806,1360 0.258,1361 20.243,1362 0.841,1363 112,1364 298.633,1365 145.724,1366 317.654,1367 442.32,1368 298,1369 135,1370 316.111,1371 166.15,1372 341.553,1373 502.21,1374 320,1375 7.046} {0 CHEMBL105386,1 1.578,2 8.318,3 4.142,4 17.156,5 92.938,6 7.645,7 0.667,8 3.802,9 3.919,10 3.444,11 3.414,12 4.894,13 3.35,14 4.306,15 4.489,16 3.848,17 3.795,18 5.304,19 3.71,20 4.469,21 4.648,22 3.912,23 3.924,24 5.482,25 3.821,26 4.62,27 4.807,28 3.932,29 3.983,30 5.655,31 3.846,32 4.62,33 4.834,34 3.795,35 3.923,36 5.626,37 3.768,38 4.483,39 4.685,40 3.693,41 3.813,42 5.514,43 3.678,44 4.47,45 4.702,46 3.477,47 3.709,48 5.43,49 3.57,50 4.461,51 4.739,52 3.005,53 3.529,54 5.317,55 3.321,56 0.04,57 0.601,58 8.958,59 3.97,60 8.809,61 5.021,62 0.136,63 0.984,64 17.636,65 6.526,66 13.299,67 8.669,68 0.102,69 1.119,70 20.616,71 8.189,72 15.798,73 10.309,74 0.255,75 1.264,76 28.496,77 9.907,78 33.36,79 11.592,80 0.279,81 1.256,82 30.382,83 10.223,84 35.663,85 12.102,86 0.281,87 1.112,88 24.736,89 8.364,90 30.625,91 10.439,92 0.186,93 1.052,94 20.54,95 7.565,96 26.125,97 10.191,98 0.213,99 0.967,100 21.445,101 7.743,102 32.13,103 10.699,104 19,105 34,106 0.278,107 0.634,108 0.814,109 0.84,110 0.866,111 0.866,112 3.148,113 1.022,114 -3.72,115 -3.69,116 -3.51,118 41.5,119 3,120 1,124 1,140 2,141 4,142 1,143 2,144 1,150 1,158 1,168 7,172 4,175 1,177 4,180 7,186 5,191 3,194 8,198 4,203 5,206 9,210 1,213 1,215 4,218 6,222 3,225 1,226 1,227 3,229 7,233 1,234 3,239 1,242 6,247 1,250 1,252 2,255 3,267 1,270 634,271 14.853,272 14.853,273 14.853,274 14.853,275 14.853,276 12.794,277 17.651,278 8.794,279 15.276,280 11.785,281 11.785,282 11.785,283 11.785,284 11.785,285 8.75,286 24.188,287 4.11,288 12.499,289 3.779,290 1.759,291 0.738,292 0.592,293 0.445,294 0.445,295 3.824,299 1,300 1,301 387,302 2.646,305 43.874,306 118.932,309 83.121,313 1.194,314 16.649,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 183,327 4.752,328 3.486,329 6.972,330 4.288,331 3.328,332 4.722,333 0.68,334 11.741,335 3.202,336 4,337 2.861,338 6.008,339 3.583,340 2.63,341 3.55,342 0.4,343 8.399,344 2.559,345 3.92,346 2.767,347 5.958,348 3.495,349 2.555,350 3.452,352 8.096,353 2.341,354 3.662,355 2.423,356 5.303,357 3.227,358 2.251,359 3.117,361 6.715,362 2.193,363 3.338,364 2.225,365 5.166,366 2.934,367 2.02,368 2.6,370 6.179,371 1.822,372 2.894,373 1.59,374 4.047,375 2.422,376 1.462,377 2.059,379 3.168,380 1.4,381 2.5,382 1.272,383 3.89,384 1.992,385 1.061,386 1.5,388 2.556,389 0.981,390 2.297,391 1.121,392 3.541,393 1.956,394 1,395 1.215,397 2.136,398 0.953,399 2.163,400 1,401 3.247,402 1.733,403 0.873,404 1.14,406 2.054,407 0.735,408 1.844,409 0.952,410 3.117,411 1.59,412 0.627,413 0.732,415 1.47,416 0.599,417 1.375,418 0.701,419 2.977,420 1.173,421 0.234,422 0.256,424 0.531,425 0.217,426 0.951,427 -0.115,428 2.64,429 0.567,430 -0.36,431 -0.428,433 -0.692,434 -0.331,435 0.662,436 -0.325,437 2,438 0.463,439 -0.484,440 -0.564,442 -1.02,443 -0.457,444 0.5,445 -0.781,446 2,447 -0.023,448 -1,449 -1.326,451 -2.347,452 -0.918,453 0.39,454 -0.841,455 1.732,456 -0.057,457 -1,458 -1.429,460 -2.683,461 -0.974,462 10.867,463 0.494,464 0.559,465 0.025,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 19.396,473 0.882,474 23.333,475 0.569,476 17.921,477 0.815,478 5.418,479 0.246,480 5.195,481 0.236,482 0.169,484 0.368,487 0.968,488 1.152,489 0.787,490 0.898,491 0.985,492 0.902,493 0.693,494 0.969,495 0.716,496 0.844,497 0.623,498 0.778,499 0.945,500 1.087,501 0.911,502 0.993,503 0.889,504 0.952,505 1.53,506 1.114,507 1.348,508 1.223,509 1.662,510 1.1,511 1.28,512 1.099,513 1.468,514 1.277,515 1.236,516 1.079,517 1.019,518 1.168,519 1.333,520 1.269,521 0.95,522 1.13,523 1.055,524 1.092,525 0.946,526 1.016,527 0.992,528 1.129,529 0.973,530 1.001,531 0.934,532 1.003,533 1.043,534 1.173,535 4,536 0.021,537 2.444,538 1.785,539 1.828,540 0.945,541 0.575,542 0.35,543 0.094,544 0.041,545 4355,546 11014,547 2.043,548 46.3,549 8,550 4,552 2,553 2,555 3,558 1.652,559 1.886,560 3.032,561 0.304,563 1,567 64.707,568 1.578,569 3.599,570 4.619,571 4.766,572 4.912,573 4.912,574 2.465,575 4.005,576 4.426,577 3.134,578 723.934,579 7.645,580 7721.33,582 1,584 1,585 219.66,586 1.495,587 4.376,588 0.167,589 0.007,590 0.072,591 0.05,592 0.055,593 0.032,594 0.021,595 0.015,596 0.007,597 0.007,598 0.432,599 0.33,600 1,601 1.055,602 98.932,603 -0.085,604 -0.042,605 0.055,606 0.071,607 -0.121,608 0.048,609 0.117,610 0.102,611 0.235,612 0.151,613 0.063,614 0.193,615 -0.025,616 -0.04,617 0.063,618 0.02,619 0.005,620 0.021,621 -0.192,622 -0.064,623 -0.144,624 -0.102,625 -0.199,626 -0.129,627 -0.076,628 -0.058,629 -0.194,630 -0.123,631 -0.004,632 -0.091,633 0.081,634 -0.119,635 -0.196,636 -0.191,637 0.103,638 -0.158,639 -0.072,640 -0.119,641 -0.133,642 -0.15,643 -0.039,644 -0.187,645 -0.058,646 -0.12,647 -0.148,648 -0.163,649 -0.087,650 -0.209,651 1.291,652 4.615,653 0.682,654 16.818,655 0.995,656 1.121,657 2.495,658 6.225,659 0.688,660 3.219,661 3.555,662 3.871,663 4.159,664 4.407,665 4.533,666 4.615,667 4.673,668 4.595,669 4.454,670 4.939,671 0.639,672 313.46,673 3.219,674 4.762,675 5.631,676 6.526,677 7.422,678 8.331,679 9.238,680 10.152,681 11.066,682 11.984,683 7.3,688 1,693 2,698 2,699 4,700 2,703 1,704 6,706 16,717 1,721 1,724 41,726 16,727 1,728 24,730 43,731 17,733 12,734 6,739 3,740 4,745 3,751 1,753 12,754 5,769 1,772 19,773 4,774 2,775 5,776 1,779 3,784 0.667,785 1,795 1,801 1,802 2,805 1,832 2,834 1,836 3,840 22,845 1,846 2,847 1,855 1,862 2.4,864 1,869 11.667,870 8.35,871 4.917,872 2.568,874 3.057,875 1.443,876 0.972,877 4.299,878 9.955,879 3.497,880 4.171,881 4.825,882 5.476,883 6.046,884 6.414,885 6.784,886 7.183,887 7.325,888 7.471,889 0.833,890 36,891 8.126,893 3.395,894 7.621,895 15.713,897 12.811,899 2.121,900 46.667,903 1,904 200.109,905 115.574,906 51.582,908 42.683,910 31.278,911 84.296,912 242.792,913 51.582,914 26.476,915 4.64,916 18.952,917 117.807,918 33.482,919 0.746,920 207.844,922 200.109,923 135.878,924 42.683,925 31.278,927 164.795,928 77.997,931 51.856,932 32.441,933 51.582,934 31.278,935 200.109,936 94.265,937 115.574,940 200.109,941 52.051,942 63.523,943 18.011,944 76.254,945 200.109,946 94.265,947 115.574,949 0.578,950 0.351,951 0.194,952 0.11,953 17,954 8,955 0.093,956 4,957 1,958 1.133,959 3.315,960 177.654,961 0.133,962 15,963 98.107,964 1,968 15.229,969 6.21,970 2.832,971 2.038,972 94.265,973 7.545,974 8.846,977 1.602,978 5.245,980 60.694,981 409.948,982 32,994 40.778,995 45.946,996 0.295,997 0.672,998 0.862,999 0.89,1000 0.917,1001 0.917,1002 4.727,1003 1,1004 5.631,1005 2.556,1006 4.234,1007 4.856,1008 0.809,1009 6.491,1010 4.127,1011 5.966,1012 0.873,1013 7.223,1014 2.136,1015 3.892,1016 4.808,1018 7.476,1019 3.757,1020 7.302,1021 0.627,1022 8.92,1023 2.054,1024 5.866,1025 7.18,1026 0.391,1027 10.644,1028 5.677,1029 8.68,1030 0.234,1031 10.677,1032 1.47,1033 6.365,1034 7.982,1036 12.456,1037 6.144,1038 10.093,1039 -0.36,1040 12.472,1041 0.531,1042 7.819,1043 9.836,1044 0.187,1045 15.166,1046 7.558,1047 11.53,1048 -0.484,1049 14.294,1050 -0.692,1051 8.694,1052 11.032,1054 17.333,1055 8.398,1056 12.988,1057 -1,1058 16.136,1059 -1.02,1060 9.963,1061 12.691,1062 0.089,1063 19.889,1064 9.633,1065 3.328,1066 -1,1067 17.993,1068 -2.347,1069 11.013,1070 14.078,1072 22.218,1073 10.646,1074 2.63,1075 11.741,1076 19.862,1077 -2.683,1078 12.221,1079 15.663,1080 0.042,1081 24.718,1082 11.821,1083 2.555,1084 8.399,1085 21.741,1086 4.722,1087 13.35,1088 17.14,1090 27.121,1091 12.913,1092 2.251,1093 8.096,1094 23.63,1095 3.55,1096 14.543,1097 18.7,1098 0.019,1099 29.599,1100 14.07,1101 2.02,1102 6.715,1103 25.525,1104 3.452,1105 15.709,1106 20.217,1108 32.034,1109 15.198,1110 1.462,1111 6.179,1112 27.427,1113 3.117,1114 16.9,1115 21.769,1116 0.009,1117 34.503,1118 16.353,1119 1.061,1120 3.168,1121 29.335,1122 2.6,1123 18.084,1124 23.305,1126 36.953,1127 17.499,1128 4345,1129 7023,1130 15.72,1131 28.211,1132 36.158,1133 36.78,1134 38.117,1135 36.07,1136 36.082,1137 48.685,1138 2.16,1139 106.092,1140 34,1141 5.518,1142 5.486,1143 6.773,1144 5.415,1145 5.328,1146 7.722,1147 1.36,1148 19.741,1149 5.202,1150 11.241,1151 1.507,1152 1.533,1153 1.588,1154 1.503,1155 1.503,1156 2.029,1157 0.09,1158 4.42,1159 1.417,1160 4.108,1161 4.121,1162 4.337,1163 4.093,1164 6.467,1165 4.06,1166 3.848,1167 3.889,1168 3.81,1169 3.755,1170 4.936,1171 3.754,1172 3.59,1173 3.663,1174 3.622,1175 3.463,1176 4.87,1177 3.428,1178 3.367,1179 3.425,1180 3.283,1181 3.258,1182 4.306,1183 3.218,1184 3.283,1185 3.342,1186 3.158,1187 3.148,1188 4.059,1189 3.141,1190 3.058,1191 3.159,1192 2.869,1193 2.884,1194 3.951,1195 2.847,1196 2.858,1197 2.926,1198 2.667,1199 2.675,1200 3.789,1201 2.662,1202 2.751,1203 2.839,1204 2.61,1205 2.518,1206 3.704,1207 2.53,1208 0.198,1209 0.145,1210 0.29,1211 0.179,1212 0.139,1213 4.752,1214 0.197,1215 3.486,1216 0.028,1217 6.972,1218 0.489,1219 4.288,1220 0.133,1221 3.328,1222 4.722,1223 0.68,1224 11.741,1225 3.202,1226 1.987,1227 1.974,1228 2.058,1229 2.057,1230 1.304,1231 2.063,1232 1.809,1233 1.774,1234 1.929,1235 1.927,1236 1.034,1237 1.93,1238 1.569,1239 1.499,1240 1.84,1241 1.799,1242 0.997,1243 1.821,1244 1.345,1245 1.297,1246 1.568,1247 1.494,1248 0.713,1249 1.531,1250 1.204,1251 1.131,1252 1.545,1253 1.43,1254 0.628,1255 1.474,1256 1.094,1257 1.05,1258 1.262,1259 1.307,1260 0.436,1261 1.332,1262 0.978,1263 0.899,1264 1.193,1265 1.149,1266 0.315,1267 1.195,1268 0.74,1269 0.676,1270 1.023,1271 1.027,1272 0.062,1273 1.007,1274 3.892,1276 5.22,1277 2.398,1278 6.756,1279 4.727,1280 8.393,1281 6.862,1282 10.09,1284 6.016,1289 10.615,1290 1.493,1291 3.268,1300 26.181,1301 64.707,1302 147.554,1303 189.395,1304 195.395,1305 201.395,1306 201.395,1307 33.08,1308 6.899,1309 58.04,1310 86.28,1311 17,1312 12.495,1313 4.087,1314 3.17,1315 34.18,1316 63,1317 74,1318 0.271,1319 166.678,1320 274.7,1321 398.455,1322 7715,1324 15.69,1325 0.713,1326 0.627,1327 16.043,1328 13.79,1329 10.613,1330 0.442,1331 0.341,1332 7.361,1333 9.911,1334 6.979,1335 5.861,1336 11.022,1337 8.174,1338 9.435,1339 0.277,1340 0.187,1341 10.077,1342 6.341,1343 8.347,1344 0.178,1345 0.106,1346 9.138,1347 4.965,1348 6.802,1349 0.108,1350 0.059,1351 7.786,1352 3.7,1353 5.438,1354 0.067,1355 0.032,1356 6.315,1357 2.608,1358 0.406,1359 69.703,1360 0.252,1361 21.197,1362 0.806,1363 116,1364 302.633,1365 150.057,1366 321.62,1367 448.96,1368 302,1369 139,1370 322.393,1371 170.316,1372 346.834,1373 511.01,1374 326,1375 6.092} {0 CHEMBL105587,1 1.578,2 8.864,3 4.142,4 17.156,5 92.938,6 7.645,7 0.667,8 3.802,9 3.919,10 3.444,11 3.414,12 4.894,13 3.35,14 4.306,15 4.489,16 3.848,17 3.795,18 5.304,19 3.71,20 4.469,21 4.648,22 3.912,23 3.924,24 5.482,25 3.821,26 4.62,27 4.807,28 3.901,29 3.975,30 5.653,31 3.843,32 4.62,33 4.831,34 3.7,35 3.899,36 5.633,37 3.756,38 4.52,39 4.736,40 3.588,41 3.799,42 5.544,43 3.664,44 4.545,45 4.811,46 3.455,47 3.717,48 5.45,49 3.547,50 4.412,51 4.697,52 3.106,53 3.48,54 5.234,55 3.241,56 0.04,57 0.601,58 8.958,59 3.97,60 8.809,61 5.021,62 0.136,63 0.984,64 17.636,65 6.526,66 13.299,67 8.669,68 0.102,69 1.119,70 20.616,71 8.189,72 15.749,73 10.309,74 0.259,75 1.261,76 28.812,77 9.904,78 32.754,79 11.594,80 0.271,81 1.241,82 28.923,83 9.821,84 35.159,85 11.957,86 0.266,87 1.109,88 22.054,89 8.108,90 33.525,91 10.755,92 0.225,93 1.098,94 23.075,95 8.321,96 31.845,97 11.328,98 0.196,99 0.929,100 23.332,101 7.886,102 30.23,103 10.465,104 19,105 34,106 0.278,107 0.634,108 0.814,109 0.84,110 0.866,111 0.866,112 3.148,113 1.022,114 -3.72,115 -3.69,116 -3.51,118 41.5,119 3,120 1,124 1,140 2,141 4,142 1,143 2,144 1,150 1,158 1,168 7,172 4,175 1,177 4,180 7,186 5,191 3,194 9,198 4,203 5,206 10,210 2,213 1,215 4,218 6,222 3,225 1,226 1,227 2,229 6,233 1,234 2,239 1,242 5,247 1,252 2,255 2,262 1,264 1,267 1,270 594,271 14.853,272 14.853,273 14.853,274 14.853,275 14.853,276 12.794,277 17.651,278 8.793,279 15.276,280 11.785,281 11.785,282 11.785,283 11.785,284 11.785,285 8.748,286 23.757,287 4.107,288 12.501,289 3.779,290 1.759,291 0.738,292 0.592,293 0.445,294 0.445,295 3.823,299 1,300 1,301 415,302 2.646,305 47.107,306 121.021,309 84.921,313 1.5,314 16.626,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 195,327 4.749,328 3.487,329 6.965,330 4.287,331 3.325,332 4.719,333 0.68,334 11.691,335 3.205,336 4.056,337 2.906,338 6.1,339 3.633,340 2.694,341 3.609,342 0.4,343 8.788,344 2.553,345 3.84,346 2.667,347 5.863,348 3.402,349 2.45,350 3.38,352 7.656,353 2.312,354 3.685,355 2.491,356 5.318,357 3.272,358 2.297,359 3.128,361 6.833,362 2.222,363 3.343,364 2.213,365 5.162,366 2.935,367 2.019,368 2.608,370 6.176,371 1.825,372 2.892,373 1.591,374 4.11,375 2.421,376 1.462,377 2.056,379 3.192,380 1.399,381 2.5,382 1.298,383 3.751,384 1.992,385 1.062,386 1.5,388 2.586,389 0.981,390 2.303,391 1.097,392 3.572,393 1.956,394 1,395 1.223,397 2.136,398 0.954,399 2.16,400 1,401 3.247,402 1.752,403 0.881,404 1.138,406 1.972,407 0.751,408 1.79,409 0.945,410 3.119,411 1.547,412 0.578,413 0.669,415 1.332,416 0.556,417 1.489,418 0.699,419 3.083,420 1.217,421 0.305,422 0.348,424 0.75,425 0.274,426 0.865,427 -0.128,428 2.578,429 0.512,430 -0.439,431 -0.487,433 -0.736,434 -0.411,435 0.667,436 -0.309,437 2,438 0.474,439 -0.465,440 -0.56,442 -1.069,443 -0.437,444 0.5,445 -0.749,446 2,447 -0.025,448 -1,449 -1.279,451 -2.347,452 -0.908,453 0.349,454 -0.862,455 1.727,456 -0.063,457 -1,458 -1.441,460 -2.752,461 -0.972,462 10.867,463 0.494,464 0.559,465 0.025,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 19.345,473 0.879,474 23.333,475 0.569,476 17.872,477 0.812,478 5.418,479 0.246,480 5.195,481 0.236,482 0.169,484 0.368,487 0.968,488 1.152,489 0.787,490 0.898,491 0.985,492 0.902,493 0.693,494 0.969,495 0.716,496 0.844,497 0.623,498 0.778,499 0.945,500 1.087,501 0.911,502 0.993,503 0.891,504 0.952,505 1.537,506 1.126,507 1.393,508 1.26,509 1.647,510 1.111,511 1.281,512 1.16,513 1.435,514 1.308,515 1.241,516 1.159,517 0.986,518 1.102,519 1.04,520 1.077,521 0.986,522 1.158,523 0.99,524 0.89,525 0.828,526 0.849,527 0.97,528 0.995,529 0.964,530 1.067,531 1.056,532 1.093,533 1.045,534 1.11,535 4,536 0.021,537 2.444,538 1.91,539 1.908,540 0.945,541 0.505,542 0.303,543 0.103,544 0.03,545 4495,546 11476,547 2.043,548 46.3,549 8,550 4,552 2,553 2,555 3,558 1.649,559 1.886,560 3.104,561 0.304,563 1,567 64.707,568 1.578,569 3.599,570 4.619,571 4.766,572 4.912,573 4.912,574 2.665,575 4.096,576 4.425,577 3.22,578 743.792,579 7.628,580 7887.72,582 1,584 1,585 219.66,586 1.495,587 4.376,588 0.167,589 0.004,590 0.072,591 0.053,592 0.058,593 0.033,594 0.019,595 0.014,596 0.009,597 0.004,598 0.433,599 0.33,600 1,601 1.055,602 99.435,603 -0.085,604 -0.042,605 0.055,606 0.071,607 -0.121,608 0.048,609 0.117,610 0.102,611 0.235,612 0.151,613 0.063,614 0.193,615 -0.025,616 -0.04,617 0.063,618 0.02,619 0.004,620 0.021,621 -0.199,622 -0.077,623 -0.19,624 -0.139,625 -0.186,626 -0.14,627 -0.093,628 -0.135,629 -0.287,630 -0.231,631 -0.012,632 -0.187,633 0.056,634 -0.112,635 -0.178,636 -0.173,637 0.046,638 -0.212,639 -0.043,640 0.042,641 0.007,642 0.02,643 -0.032,644 -0.036,645 -0.035,646 -0.178,647 -0.039,648 -0.111,649 -0.061,650 -0.111,651 1.291,652 4.615,653 0.682,654 17.182,655 0.995,656 1.121,657 2.495,658 6.225,659 0.688,660 3.219,661 3.555,662 3.871,663 4.159,664 4.394,665 4.489,666 4.554,667 4.644,668 4.605,669 4.477,670 5.115,671 0.639,672 313.46,673 3.219,674 4.762,675 5.631,676 6.526,677 7.421,678 8.328,679 9.233,680 10.146,681 11.057,682 11.973,683 7.3,688 1,693 2,698 2,699 4,700 2,703 1,704 6,706 16,717 1,721 1,724 41,726 16,727 1,728 24,730 43,731 17,733 12,734 6,739 3,740 4,745 3,751 1,753 12,754 5,769 1,772 19,773 4,774 2,775 5,776 1,779 3,784 0.667,785 1,795 1,801 1,802 2,805 1,832 2,834 1,836 3,840 22,845 1,846 2,847 1,855 1,862 2.4,864 1,869 11.667,870 8.35,871 4.917,872 2.568,874 3.044,875 1.441,876 0.972,877 4.299,878 9.943,879 3.497,880 4.171,881 4.825,882 5.473,883 6.032,884 6.384,885 6.748,886 7.175,887 7.348,888 7.499,889 1,890 36,891 8.125,893 3.395,894 7.621,895 15.713,897 12.811,899 2.121,900 46.667,903 1,904 200.109,905 115.574,906 51.582,908 42.683,910 31.278,911 84.296,912 242.792,913 51.582,914 26.476,915 4.64,916 18.952,917 117.807,918 33.482,919 0.746,920 207.844,922 200.109,923 135.878,924 42.683,925 31.278,927 164.795,928 77.997,931 51.856,932 32.441,933 51.582,934 31.278,935 200.109,936 94.265,937 115.574,940 200.109,941 52.051,942 63.523,943 18.011,944 76.254,945 200.109,946 94.265,947 115.574,949 0.578,950 0.352,951 0.196,952 0.111,953 17,954 8,955 0.093,956 4,957 1,958 1.133,959 3.334,960 176.628,961 0.133,962 15,963 96.107,964 1,968 15.229,969 6.21,970 2.832,971 2.038,972 94.265,973 7.535,974 8.835,977 1.597,978 5.249,980 60.694,981 409.948,982 32,994 40.778,995 45.946,996 0.295,997 0.672,998 0.862,999 0.89,1000 0.917,1001 0.917,1002 4.727,1003 1,1004 5.631,1005 2.586,1006 4.234,1007 4.856,1008 0.809,1009 6.491,1010 4.127,1011 5.966,1012 0.881,1013 7.223,1014 2.136,1015 3.892,1016 4.808,1018 7.476,1019 3.757,1020 7.302,1021 0.578,1022 8.92,1023 1.972,1024 5.866,1025 7.18,1026 0.391,1027 10.642,1028 5.677,1029 8.68,1030 0.305,1031 10.677,1032 1.332,1033 6.365,1034 7.982,1036 12.451,1037 6.144,1038 10.093,1039 -0.439,1040 12.472,1041 0.75,1042 7.819,1043 9.836,1044 0.187,1045 15.158,1046 7.559,1047 11.53,1048 -0.465,1049 14.294,1050 -0.736,1051 8.694,1052 11.031,1054 17.319,1055 8.4,1056 12.987,1057 -1,1058 16.135,1059 -1.069,1060 9.963,1061 12.69,1062 0.089,1063 19.872,1064 9.636,1065 3.325,1066 -1,1067 17.992,1068 -2.347,1069 11.012,1070 14.076,1072 22.193,1073 10.651,1074 2.694,1075 11.691,1076 19.861,1077 -2.752,1078 12.22,1079 15.661,1080 0.042,1081 24.689,1082 11.827,1083 2.45,1084 8.788,1085 21.74,1086 4.719,1087 13.349,1088 17.136,1090 27.084,1091 12.921,1092 2.297,1093 7.656,1094 23.627,1095 3.609,1096 14.54,1097 18.695,1098 0.019,1099 29.557,1100 14.08,1101 2.019,1102 6.833,1103 25.522,1104 3.38,1105 15.705,1106 20.212,1108 31.986,1109 15.21,1110 1.462,1111 6.176,1112 27.423,1113 3.128,1114 16.896,1115 21.763,1116 0.009,1117 34.45,1118 16.366,1119 1.062,1120 3.192,1121 29.33,1122 2.608,1123 18.078,1124 23.298,1126 36.894,1127 17.513,1128 4461,1129 7237,1130 15.72,1131 28.211,1132 36.282,1133 36.77,1134 38.245,1135 36.11,1136 36.147,1137 48.755,1138 2.16,1139 106.221,1140 34.064,1141 5.513,1142 5.487,1143 6.767,1144 5.41,1145 5.325,1146 7.719,1147 1.36,1148 19.691,1149 5.205,1150 11.152,1151 1.512,1152 1.532,1153 1.594,1154 1.505,1155 1.506,1156 2.031,1157 0.09,1158 4.426,1159 1.419,1160 4.107,1161 4.12,1162 4.335,1163 4.09,1164 6.467,1165 4.058,1166 3.855,1167 3.895,1168 3.832,1169 3.77,1170 4.934,1171 3.764,1172 3.581,1173 3.656,1174 3.591,1175 3.438,1176 4.874,1177 3.412,1178 3.341,1179 3.396,1180 3.279,1181 3.247,1182 4.293,1183 3.208,1184 3.315,1185 3.38,1186 3.16,1187 3.164,1188 4.034,1189 3.151,1190 3.067,1191 3.158,1192 2.918,1193 2.924,1194 3.991,1195 2.89,1196 2.838,1197 2.908,1198 2.635,1199 2.622,1200 3.83,1201 2.608,1202 2.751,1203 2.841,1204 2.602,1205 2.514,1206 3.716,1207 2.522,1208 0.198,1209 0.145,1210 0.29,1211 0.179,1212 0.139,1213 4.749,1214 0.197,1215 3.487,1216 0.028,1217 6.965,1218 0.487,1219 4.287,1220 0.134,1221 3.325,1222 4.719,1223 0.68,1224 11.691,1225 3.205,1226 1.988,1227 1.974,1228 2.062,1229 2.06,1230 1.305,1231 2.065,1232 1.804,1233 1.772,1234 1.912,1235 1.917,1236 1.023,1237 1.92,1238 1.571,1239 1.501,1240 1.84,1241 1.801,1242 0.995,1243 1.823,1244 1.373,1245 1.313,1246 1.657,1247 1.55,1248 0.762,1249 1.594,1250 1.175,1251 1.121,1252 1.453,1253 1.366,1254 0.592,1255 1.393,1256 1.093,1257 1.044,1258 1.266,1259 1.305,1260 0.425,1261 1.333,1262 0.938,1263 0.85,1264 1.193,1265 1.149,1266 0.315,1267 1.205,1268 0.783,1269 0.734,1270 1.031,1271 1.036,1272 0.093,1273 1.022,1274 3.892,1276 5.22,1277 2.398,1278 6.756,1279 4.727,1280 8.393,1281 6.862,1282 10.09,1284 6.039,1289 10.615,1290 1.503,1291 3.256,1300 26.181,1301 64.707,1302 147.554,1303 189.395,1304 195.395,1305 201.395,1306 201.395,1307 33.075,1308 6.899,1309 58.04,1310 86.28,1311 17,1312 12.485,1313 4.087,1314 3.17,1315 34.314,1316 67,1317 76,1318 0.263,1319 166.678,1320 274.7,1321 398.455,1322 7759,1324 15.69,1325 0.713,1326 0.627,1327 16.043,1328 13.79,1329 10.613,1330 0.442,1331 0.341,1332 7.361,1333 9.911,1334 6.979,1335 5.861,1336 11.022,1337 8.174,1338 9.435,1339 0.277,1340 0.187,1341 10.077,1342 6.341,1343 8.319,1344 0.177,1345 0.106,1346 9.144,1347 4.981,1348 6.882,1349 0.109,1350 0.059,1351 7.837,1352 3.725,1353 5.514,1354 0.069,1355 0.032,1356 6.301,1357 2.565,1358 0.397,1359 69.703,1360 0.252,1361 21.335,1362 0.766,1363 116,1364 302.633,1365 150.057,1366 321.62,1367 448.96,1368 302,1369 139,1370 322.393,1371 170.316,1372 346.833,1373 510.96,1374 326,1375 6.409} {0 CHEMBL105856,1 1.806,2 12.697,3 3.41,4 11.629,5 122.408,6 8.403,7 0.583,8 4.141,9 4.238,10 3.924,11 3.7,12 5.297,13 3.679,14 4.676,15 4.826,16 4.235,17 4.092,18 6.057,19 4.059,20 4.908,21 5.086,22 4.259,23 4.235,24 6.098,25 4.166,26 5.043,27 5.237,28 4.2,29 4.255,30 6.214,31 4.175,32 5.04,33 5.255,34 4.179,35 4.244,36 6.084,37 4.156,38 5.087,39 5.313,40 4.194,41 4.258,42 6.32,43 4.147,44 5.064,45 5.317,46 4.079,47 4.191,48 6.062,49 4.056,50 4.964,51 5.204,52 4.107,53 4.058,54 6.109,55 3.963,56 0.167,57 0.923,58 12.275,59 5.367,60 25.654,61 5.906,62 0.587,63 1.472,64 21.072,65 8.678,66 78.535,67 10.181,68 0.557,69 1.773,70 31.622,71 12.194,72 65.626,73 13.901,74 0.829,75 1.857,76 37.147,77 13,78 114.649,79 14.996,80 0.748,81 1.817,82 37.492,83 13.008,84 108.492,85 16.349,86 1.024,87 1.904,88 36.272,89 13.62,90 133.54,91 18.284,92 0.763,93 1.795,94 39.273,95 13.668,96 104.815,97 17.853,98 0.89,99 1.624,100 39.89,101 12.088,102 116.555,103 14.74,104 38,105 52,106 0.292,107 0.66,108 0.817,109 0.874,110 0.874,111 0.874,112 3.532,113 0.984,114 -3.64,115 -3.61,116 -3.44,118 41.1,119 1,120 1,124 3,140 7,141 3,142 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 8,169 1,171 2,172 5,175 3,177 2,180 8,181 2,185 1,186 10,191 4,194 7,195 2,198 11,201 1,203 4,206 6,207 1,209 1,210 5,211 1,215 1,218 6,219 1,221 3,222 5,225 1,227 4,229 3,234 5,235 1,237 1,239 3,243 1,246 1,247 11,250 1,252 2,258 2,259 6,260 1,262 1,265 1,267 6,270 2167,271 21.8,272 21.8,273 21.8,274 21.8,275 21.8,276 18.793,277 20.512,278 12.644,279 22.312,280 17.729,281 17.729,282 17.729,283 17.729,284 17.729,285 13.12,286 20.643,287 5.967,288 18.609,289 4.001,290 1.731,291 0.757,292 0.406,293 0.406,294 0.406,295 4.22,299 1,300 1,301 900,302 4.301,305 163.57,306 215.253,309 148.905,313 1.664,314 50.012,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 73.5,326 419,327 4.844,328 4.683,329 7.293,330 4.308,331 3.374,332 4.729,333 1.437,334 12.404,335 3.238,336 4.76,337 3.591,338 7.017,339 4.29,340 3.339,341 4.697,342 0.522,343 11.978,344 3.063,345 4.078,346 3.437,347 5.984,348 3.711,349 2.721,350 3.582,352 8.438,353 2.686,354 3.91,355 2.875,356 5.681,357 3.448,358 2.521,359 3.448,361 7.487,362 2.334,363 3.835,364 2.704,365 5.583,366 3.352,367 2.401,368 3.393,370 6.828,371 2.273,372 3.47,373 2.323,374 5.259,375 3.082,376 2.118,377 2.839,379 6.376,380 2.037,381 3.438,382 2.255,383 5.149,384 3.004,385 2.028,386 2.748,388 6.32,389 1.966,390 3.084,391 1.939,392 4.733,393 2.642,394 1.685,395 2.292,397 4.769,398 1.597,399 2.776,400 1.777,401 3.935,402 2.425,403 1.446,404 1.814,406 3.327,407 1.411,408 2.635,409 1.556,410 3.816,411 2.253,412 1.269,413 1.638,415 2.937,416 1.234,417 2.559,418 1.29,419 3.617,420 2.084,421 1.14,422 1.572,424 2.596,425 1.07,426 2.5,427 1.089,428 3.533,429 2,430 1,431 1.5,433 2.381,434 1,435 2.315,436 1,437 3.414,438 1.926,439 0.943,440 1.245,442 2.275,443 0.923,444 2.118,445 0.854,446 3.242,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.679,454 0.618,455 3,456 1.484,457 0.526,458 0.587,460 1.282,461 0.503,462 15.552,463 0.471,464 0.999,465 0.03,466 44,467 1.333,468 22.5,469 0.682,470 21.5,471 0.652,472 28.096,473 0.851,474 36.048,475 0.644,476 37.112,477 1.125,478 8.747,479 0.265,480 7.012,481 0.212,482 0.136,483 0.054,484 0.309,486 1,487 0.618,488 1.265,489 0.775,490 1.207,491 0.639,492 0.94,493 0.604,494 0.978,495 0.824,496 0.905,497 0.462,498 0.882,499 0.891,500 1.071,501 1.126,502 1.153,503 0.783,504 1.063,505 1.101,506 0.973,507 1.221,508 1.098,509 1.037,510 1.132,511 0.782,512 0.894,513 0.937,514 1.016,515 0.789,516 1.054,517 0.447,518 0.939,519 0.781,520 0.991,521 0.474,522 1.134,523 0.713,524 0.846,525 0.866,526 0.908,527 0.65,528 1.016,529 1.005,530 0.843,531 1.041,532 0.92,533 0.993,534 0.865,535 7.5,536 0.287,537 4.667,538 3.146,539 1.716,540 1.511,541 0.725,542 0.5,543 0.561,544 0.359,545 15396,546 52729,547 2.036,548 41.1,549 3,550 13,551 1,552 2,553 2,556 2,558 1.755,559 1.877,560 3.594,561 0.252,563 1,567 101.128,568 1.806,569 4.077,570 5.05,571 5.401,572 5.401,573 5.401,574 2.975,575 4.62,576 5.014,577 3.781,578 1996.51,579 8.798,580 30292.3,585 325.212,586 1.628,587 4.954,588 0.208,589 0.008,590 0.09,591 0.06,592 0.036,593 0.032,594 0.016,595 0.013,596 0.014,597 0.009,598 0.486,599 0.33,600 0.88,601 0.753,602 175.549,603 0.001,604 -0.176,605 0.167,606 -0.077,607 -0.098,608 0.015,609 0.145,610 0.06,611 0.044,612 0.075,613 0.211,614 0.049,615 -0.095,616 -0.043,617 -0.115,618 -0.087,619 -0.01,620 -0.069,621 -0.195,622 -0.043,623 -0.243,624 -0.111,625 -0.123,626 -0.163,627 -0.057,628 -0.07,629 -0.033,630 -0.075,631 -0.076,632 -0.049,633 0.264,634 -0.072,635 0.057,636 -0.096,637 0.189,638 -0.122,639 -0.016,640 -0.028,641 0.088,642 0.03,643 -0.024,644 0.022,645 -0.06,646 0.037,647 0.091,648 0.1,649 -0.076,650 0.15,651 4.655,652 5.445,653 0.606,654 36.364,655 1.02,656 1.129,657 2.409,658 5.804,659 0.679,660 3.611,661 3.97,662 4.234,663 4.477,664 4.682,665 4.82,666 4.942,667 5.043,668 5.075,669 5.1,670 7.498,671 0.657,672 470.57,673 3.611,674 5.176,675 6.033,676 6.927,677 7.808,678 8.708,679 9.599,680 10.505,681 11.403,682 12.313,683 7.1,685 1,691 2,693 1,698 2,699 10,700 1,704 5,705 2,706 21,714 1,723 1,724 56,726 24,727 2,728 36,730 59,731 23,733 17,734 5,735 7,736 1,739 4,740 5,745 1,751 1,753 18,754 5,756 3,760 1,761 3,765 1,769 1,770 1,772 23,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,830 1,832 3,834 1,836 1,838 1,840 33,844 1,845 1,846 4,847 1,861 1,862 7.1,864 1,865 3,869 17.583,870 10.193,871 7.125,872 3.194,874 3.575,875 1.46,876 0.991,877 6.657,878 11.351,879 3.922,880 4.595,881 5.168,882 5.751,883 6.236,884 6.621,885 7.03,886 7.364,887 7.549,888 7.771,889 1,890 52,891 12.498,893 5.695,894 8.129,895 22.805,897 19.02,899 2.629,900 86.75,904 247.193,905 141.958,906 36.989,908 112.141,909 14.96,910 5.807,911 136.151,912 359.334,913 51.949,914 8.825,915 8.852,916 97.594,917 161.997,918 32.461,919 31.632,920 211.88,922 247.193,923 173.139,924 127.101,925 5.807,927 238.611,928 135.683,931 55.546,932 100.808,933 22.593,935 262.153,936 149.13,937 141.958,939 5.807,940 247.193,941 34.278,942 105.671,943 16.405,944 143.887,945 247.193,946 164.09,947 141.958,949 0.593,950 0.343,951 0.174,952 0.093,953 25,954 12,955 0.153,956 9,957 1,958 1.1,959 4.326,960 305.075,961 0.1,962 20,963 160.465,967 1,968 23.181,969 9.477,970 5.009,971 1.728,972 160.292,973 14.932,974 4.081,978 1.679,979 4.009,980 59.088,981 553.241,982 49.5,986 -3.739,987 36.329,991 -0.99,994 57.142,995 63.243,996 0.311,997 0.702,998 0.87,999 0.93,1000 0.93,1001 0.93,1002 5.172,1003 1.685,1004 6.061,1005 6.32,1006 4.654,1007 5.283,1008 1.736,1009 6.93,1010 4.561,1011 6.431,1012 1.446,1013 7.668,1014 4.769,1015 4.443,1016 5.394,1018 8.132,1019 4.267,1020 7.792,1021 1.269,1022 9.388,1023 3.327,1024 6.344,1025 7.646,1026 2.269,1027 11.193,1028 6.144,1029 9.198,1030 1.14,1031 11.176,1032 2.937,1033 6.957,1034 8.59,1036 13.231,1037 6.668,1038 10.64,1039 1,1040 13.01,1041 2.596,1042 8.38,1043 10.367,1044 2.925,1045 15.889,1046 8.062,1047 12.108,1048 0.943,1049 14.876,1050 2.381,1051 9.34,1052 11.66,1054 18.23,1055 8.937,1056 13.597,1057 0.618,1058 16.765,1059 2.275,1060 10.606,1061 13.28,1062 3.619,1063 20.778,1064 10.164,1065 3.374,1066 0.526,1067 18.671,1068 1.372,1069 11.71,1070 14.72,1072 23.225,1073 11.194,1074 3.339,1075 12.404,1076 20.591,1077 1.282,1078 12.928,1079 16.289,1080 4.33,1081 25.741,1082 12.363,1083 2.721,1084 11.978,1085 22.521,1086 4.729,1087 14.092,1088 17.792,1090 28.225,1091 13.461,1092 2.521,1093 8.438,1094 24.461,1095 4.697,1096 15.298,1097 19.345,1098 5.047,1099 30.732,1100 14.614,1101 2.401,1102 7.487,1103 26.407,1104 3.582,1105 16.487,1106 20.874,1108 33.23,1109 15.741,1110 2.118,1111 6.828,1112 28.359,1113 3.448,1114 17.692,1115 22.423,1116 5.769,1117 35.735,1118 16.892,1119 2.028,1120 6.376,1121 30.315,1122 3.393,1123 18.891,1124 23.963,1126 38.237,1127 18.034,1128 14787,1129 27549,1130 23.463,1131 38.04,1132 54.753,1133 56.403,1134 55.996,1135 54.566,1136 54.444,1137 74.233,1138 3.916,1139 162.008,1140 51.999,1141 5.772,1142 6.683,1143 6.924,1144 5.374,1145 5.374,1146 7.729,1147 2.873,1148 19.635,1149 5.238,1150 18.914,1151 1.521,1152 1.567,1153 1.555,1154 1.516,1155 1.512,1156 2.062,1157 0.109,1158 4.5,1159 1.444,1160 4.181,1161 4.214,1162 4.735,1163 4.098,1164 8.201,1165 4.099,1166 4.063,1167 4.042,1168 4.141,1169 4.043,1170 7.717,1171 3.962,1172 3.884,1173 3.947,1174 3.829,1175 3.684,1176 7.475,1177 3.712,1178 3.695,1179 3.733,1180 3.724,1181 3.575,1182 6.999,1183 3.542,1184 3.593,1185 3.604,1186 3.555,1187 3.457,1188 6.351,1189 3.452,1190 3.436,1191 3.464,1192 3.331,1193 3.312,1194 4.974,1195 3.28,1196 3.192,1197 3.235,1198 3.086,1199 2.984,1200 4.852,1201 2.998,1202 3.064,1203 3.124,1204 2.907,1205 2.836,1206 4.585,1207 2.842,1208 0.135,1209 0.13,1210 0.203,1211 0.12,1212 0.094,1213 4.844,1214 0.131,1215 4.683,1216 0.04,1217 7.293,1218 0.345,1219 4.308,1220 0.09,1221 3.374,1222 4.729,1223 1.437,1224 12.404,1225 3.238,1226 1.961,1227 1.962,1228 2.038,1229 2.058,1230 1.286,1231 2.075,1232 1.948,1233 1.937,1234 1.969,1235 2.02,1236 1.19,1237 2.035,1238 1.775,1239 1.721,1240 1.936,1241 1.947,1242 1.143,1243 1.945,1244 1.598,1245 1.557,1246 1.792,1247 1.799,1248 1.025,1249 1.808,1250 1.421,1251 1.397,1252 1.626,1253 1.629,1254 0.731,1255 1.638,1256 1.362,1257 1.33,1258 1.478,1259 1.554,1260 0.645,1261 1.572,1262 1.285,1263 1.217,1264 1.41,1265 1.524,1266 0.463,1267 1.512,1268 1.168,1269 1.149,1270 1.201,1271 1.417,1272 0.402,1273 1.39,1274 4.29,1276 5.638,1277 3.045,1278 7.168,1279 5.416,1280 8.782,1281 7.535,1282 10.444,1284 1.952,1286 13.085,1289 9.372,1290 1.758,1291 2.552,1300 36.783,1301 101.128,1302 228.287,1303 282.806,1304 302.457,1305 302.457,1306 302.457,1307 83.446,1308 7.777,1309 106.22,1310 114.6,1311 22,1312 12.831,1313 4.644,1314 3.858,1315 54.263,1316 143,1317 170,1318 0.176,1319 228.038,1320 390.76,1321 548.173,1322 26065,1323 1.8,1324 23.587,1325 0.715,1326 0.567,1327 22.967,1328 18.718,1329 15.759,1330 0.438,1331 0.328,1332 10.279,1333 14.269,1334 9.935,1335 8.206,1336 16.186,1337 11.804,1338 14.909,1339 0.287,1340 0.182,1341 15.611,1342 9.468,1343 12.199,1344 0.179,1345 0.104,1346 12.896,1347 7.04,1348 9.684,1349 0.111,1350 0.057,1351 10.412,1352 4.936,1353 7.512,1354 0.07,1355 0.032,1356 8.04,1357 3.448,1358 0.279,1359 107.862,1360 0.206,1361 30.741,1362 0.48,1363 176,1364 621.596,1365 233.107,1366 592.102,1367 785.13,1368 544,1369 208,1370 536.991,1371 271.007,1372 572.947,1373 833.64,1374 536,1375 7.824} {0 CHEMBL1087267,1 1.879,2 12.5,3 3.923,4 15.391,5 116.668,6 10.485,7 0.545,8 3.925,9 3.985,10 3.896,11 3.618,12 5.151,13 3.588,14 4.404,15 4.475,16 4.253,17 4.016,18 5.881,19 3.977,20 4.695,21 4.809,22 4.459,23 4.173,24 6.08,25 4.113,26 4.735,27 4.864,28 4.312,29 4.056,30 6.189,31 4.017,32 4.703,33 4.854,34 4.131,35 3.912,36 6.364,37 3.875,38 4.5,39 4.668,40 3.945,41 3.782,42 5.825,43 3.711,44 4.328,45 4.476,46 3.86,47 3.686,48 5.678,49 3.613,50 4.26,51 4.411,52 3.694,53 3.583,54 5.624,55 3.522,56 0.185,57 0.586,58 5.445,59 3.815,60 28.136,61 3.283,62 0.415,63 0.906,64 7.329,65 6.098,66 56.658,67 6.109,68 0.634,69 1.201,70 21.364,71 9.219,72 76.822,73 9.097,74 0.78,75 1.27,76 23.629,77 9.916,78 109.091,79 8.885,80 1.1,81 1.2,82 24.927,83 9.948,84 186.736,85 9.351,86 0.657,87 0.977,88 19.533,89 7.932,90 96.159,91 7.643,92 0.507,93 0.836,94 20.367,95 6.959,96 58.77,97 6.369,98 0.508,99 0.754,100 17.724,101 6.577,102 70.419,103 6.2,104 37,105 49,106 0.318,107 0.582,108 0.701,109 0.847,110 0.886,111 0.886,112 3.44,113 0.993,114 -4.02,115 -3.97,116 -3.76,118 47.7,136 2,140 11,141 3,142 4,154 1,168 12,171 1,175 3,177 3,180 16,186 4,189 1,190 2,191 5,194 17,198 7,201 1,202 1,203 6,206 9,209 2,210 5,213 4,215 6,218 5,222 3,227 8,229 6,234 6,239 5,242 6,247 6,252 3,255 7,259 3,264 4,267 8,270 1388,271 19.679,272 19.679,273 19.679,274 19.679,275 19.679,276 16.784,277 14.493,278 11.184,279 20.125,280 16.227,281 16.227,282 16.227,283 16.227,284 16.227,285 11.846,286 14.915,287 5.276,288 17.127,289 3.58,290 2.02,291 1.319,292 0.455,293 0.227,294 0.227,295 4.13,297 2,299 1,300 1,301 813,302 3.391,306 372.318,310 145.509,313 1.9,314 49.282,317 1,318 0.83,319 1,320 0.4,322 1,323 1,324 0.75,325 65.667,326 375,327 4.943,328 4.713,329 7.463,330 4.445,331 3.513,332 4.787,333 1.058,334 13.203,335 3.26,336 4.338,337 3.611,338 6.473,339 3.927,340 2.958,341 4.018,343 9.79,344 2.883,345 4.278,346 3.319,347 6.212,348 3.808,349 2.845,350 3.803,352 9.273,353 2.721,354 4.013,355 2.858,356 5.934,357 3.554,358 2.622,359 3.589,361 8.194,362 2.484,363 3.854,364 2.791,365 5.804,366 3.445,367 2.485,368 3.303,370 7.756,371 2.319,372 3.636,373 2.423,374 5.359,375 3.223,376 2.262,377 3.011,379 6.896,380 2.072,381 3.162,382 2.206,383 4.744,384 2.694,385 1.703,386 2.334,388 4.615,389 1.672,390 2.875,391 2.14,392 4.352,393 2.403,394 1.428,395 2.035,397 3.993,398 1.362,399 2.817,400 1.528,401 4.033,402 2.304,403 1.414,404 1.943,406 3.504,407 1.229,408 2.737,409 1.499,410 3.978,411 2.239,412 1.249,413 1.798,415 2.927,416 1.192,417 2.6,418 1.19,419 3.728,420 2.065,421 1.069,422 1.588,424 2.794,425 1.06,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 1.706,436 0.952,437 3.403,438 1.409,439 0.485,440 0.556,442 1.28,443 0.442,444 1.465,445 0.718,446 3.031,447 1.035,448 0.171,449 0.209,451 0.38,452 0.118,453 1.213,454 0.499,455 2.765,456 0.748,457 -0.128,458 -0.161,460 -0.313,461 -0.108,462 14.895,463 0.497,464 0.999,465 0.033,466 43.25,467 1.442,468 24.5,469 0.817,470 18.75,471 0.625,472 22.544,473 0.751,474 30.705,475 0.698,476 35.326,477 1.178,478 8.527,479 0.284,480 5.732,481 0.191,482 0.185,483 0.056,484 0.336,487 0.621,488 1.024,489 0.619,490 0.918,491 0.71,492 0.696,493 0.531,494 1.1,495 0.682,496 0.898,497 0.562,498 0.889,499 0.858,500 1.053,501 0.839,502 0.975,503 0.885,504 0.989,505 1.108,506 1.199,507 0.97,508 1.188,509 1.15,510 1.106,511 1.075,512 0.992,513 0.844,514 0.907,515 1.13,516 0.962,517 1.291,518 0.981,519 0.927,520 0.805,521 1.288,522 0.962,523 1.26,524 0.998,525 1.285,526 1.071,527 1.038,528 1.03,529 1.209,530 0.913,531 1.021,532 0.999,533 1.254,534 1.006,535 7.5,536 0.219,537 4.889,538 2.813,539 2.582,540 1.236,541 0.669,542 0.507,543 0.279,544 0.204,545 12347,546 47368,547 2.04,548 31.8,550 11,553 3,558 1.724,559 1.865,560 3.561,561 0.933,563 1,567 82.673,568 1.879,569 3.44,570 4.14,571 5.005,572 5.232,573 5.232,574 3.036,575 4.39,576 4.88,577 3.748,578 1630.17,579 8.488,580 22822.9,585 240.215,586 1.679,587 4.809,588 0.227,589 0.01,590 0.1,591 0.053,592 0.055,593 0.03,594 0.021,595 0.017,596 0.01,597 0.008,598 0.531,599 0.5,600 0.88,601 0.628,602 155.123,603 -0.016,604 0.04,605 0.068,607 -0.159,608 0.082,609 0.178,610 -0.081,611 -0.019,612 -0.05,613 0.148,614 -0.098,615 0.009,616 -0.054,617 0.037,618 -0.042,619 -0.034,620 -0.076,621 -0.071,622 -0.17,623 -0.101,624 -0.21,625 -0.072,626 -0.166,627 0.125,628 0.019,629 -0.026,630 0.065,631 0.213,632 0.031,633 -0.253,634 0.013,635 -0.027,636 0.134,637 -0.203,638 0.061,639 -0.266,640 0.039,641 -0.215,642 -0.047,643 -0.111,644 -0.034,645 -0.192,646 0.062,647 -0.125,648 -0.007,649 -0.153,650 0.009,651 4.88,652 5.625,653 0.733,654 29.236,655 1.032,656 1.103,657 2.791,658 7.787,659 0.762,660 3.526,661 3.912,662 4.19,663 4.443,664 4.71,665 4.718,666 4.804,667 4.836,668 4.956,669 4.984,670 7.251,671 0.737,672 461.34,673 3.526,674 5.106,675 5.974,676 6.878,677 7.764,678 8.669,679 9.562,680 10.468,681 11.365,682 12.272,683 4.5,685 1,690 1,699 11,704 7,706 18,723 2,724 44,726 22,727 3,728 33,730 47,731 21,733 18,734 7,735 11,736 3,739 4,740 5,741 2,753 21,756 4,760 1,761 3,765 3,769 1,772 14,773 6,774 3,775 9,776 3,779 2,784 0.75,785 4,802 4,806 1,816 1,822 2,830 1,832 3,834 1,837 2,840 30,844 1,845 1,847 2,861 2,862 9.1,864 1,865 3,869 16.083,870 7.819,871 6.375,872 2.364,874 3.829,875 1.49,876 1.012,877 5.51,878 11.638,879 3.85,880 4.527,881 5.077,882 5.642,883 6.211,884 6.412,885 6.781,886 7.042,887 7.425,888 7.662,889 1,890 53,891 11.417,893 5.42,894 8.16,895 20.362,897 17.179,899 2.66,900 79.806,903 1,904 129.482,905 138.373,906 34.416,907 78.297,908 112.141,910 5.807,911 132.566,912 319.921,913 34.416,915 18.011,916 126.451,917 119.603,918 20.865,920 129.482,921 78.297,922 129.482,923 166.981,924 112.141,925 84.105,927 129.482,928 112.141,931 34.416,932 129.809,933 86.861,935 129.482,936 146.557,937 216.67,939 5.807,940 129.482,941 28.327,942 104.239,943 34.416,944 190.439,945 129.482,946 146.557,947 216.67,949 0.602,950 0.358,951 0.185,952 0.106,953 25,954 12,955 0.064,956 3,957 1,958 1.091,959 4.044,960 272.398,961 0.091,962 22,963 141.207,967 1,968 20.754,969 7.966,970 4.076,972 146.557,973 17.973,978 2.969,980 77.099,981 492.709,982 46,986 -3.964,987 37.389,991 -1.666,994 45.422,995 48.549,996 0.344,997 0.63,998 0.758,999 0.917,1000 0.958,1001 0.958,1002 5.115,1003 1.428,1004 6.019,1005 4.615,1006 4.595,1007 5.215,1008 1.176,1009 6.907,1010 4.493,1011 6.386,1012 1.414,1013 7.64,1014 3.993,1015 4.443,1016 5.316,1018 8.12,1019 4.229,1020 7.755,1021 1.249,1022 9.37,1023 3.504,1024 6.312,1025 7.548,1026 1.255,1027 11.194,1028 6.107,1029 9.163,1030 1.069,1031 11.165,1032 2.927,1033 6.938,1034 8.427,1036 13.217,1037 6.614,1038 10.602,1039 1,1040 13.003,1041 2.794,1042 8.355,1043 10.205,1044 1.338,1045 15.908,1046 8.025,1047 12.066,1048 0.485,1049 14.871,1050 2.275,1051 9.314,1052 11.428,1054 18.256,1055 8.874,1056 13.549,1057 0.171,1058 16.762,1059 1.28,1060 10.582,1061 13.045,1062 1.422,1063 20.85,1064 10.11,1065 3.513,1066 -0.128,1067 18.67,1068 0.38,1069 11.688,1070 14.433,1072 23.332,1073 11.117,1074 2.958,1075 13.203,1076 20.594,1077 -0.313,1078 12.915,1079 15.994,1080 1.51,1081 25.905,1082 12.29,1083 2.845,1084 9.79,1085 22.53,1086 4.787,1087 14.09,1088 17.464,1090 28.443,1091 13.374,1092 2.622,1093 9.273,1094 24.477,1095 4.018,1096 15.312,1097 19.009,1098 1.599,1099 31.015,1100 14.529,1101 2.485,1102 8.194,1103 26.433,1104 3.803,1105 16.52,1106 20.521,1108 33.576,1109 15.651,1110 2.262,1111 7.756,1112 28.398,1113 3.589,1114 17.748,1115 22.066,1116 1.69,1117 36.151,1118 16.803,1119 1.703,1120 6.896,1121 30.368,1122 3.303,1123 18.975,1124 23.6,1126 38.723,1127 17.946,1128 11730,1129 23146,1130 21.383,1131 33.523,1132 50.819,1133 53.323,1134 52.707,1135 50.63,1136 50.407,1137 68.95,1138 2.117,1139 153.762,1140 47.629,1141 5.867,1142 6.713,1143 7.14,1144 5.536,1145 5.513,1146 7.787,1147 2.117,1148 21.398,1149 5.26,1150 17.491,1151 1.54,1152 1.616,1153 1.597,1154 1.534,1155 1.527,1156 2.089,1157 0.064,1158 4.659,1159 1.443,1160 4.134,1161 4.117,1162 4.747,1163 4.114,1164 7.717,1165 4.044,1166 3.999,1167 4.014,1168 4.128,1169 3.963,1170 7.429,1171 3.951,1172 3.774,1173 3.797,1174 3.848,1175 3.711,1176 6.999,1177 3.704,1178 3.604,1179 3.615,1180 3.717,1181 3.525,1182 6.466,1183 3.469,1184 3.49,1185 3.459,1186 3.514,1187 3.351,1188 5.049,1189 3.341,1190 3.101,1191 3.128,1192 3.4,1193 2.968,1194 4.741,1195 2.968,1196 2.89,1197 2.925,1198 3.246,1199 2.793,1200 4.682,1201 2.772,1202 2.872,1203 2.922,1204 2.967,1205 2.743,1206 4.49,1207 2.747,1208 0.15,1209 0.143,1210 0.226,1211 0.135,1212 0.106,1213 4.943,1214 0.145,1215 4.713,1216 0.032,1217 7.463,1218 0.4,1219 4.445,1220 0.099,1221 3.513,1222 4.787,1223 1.058,1224 13.203,1225 3.26,1226 2.017,1227 2.027,1228 2.062,1229 2.09,1230 1.238,1231 2.114,1232 1.981,1233 1.965,1234 2.01,1235 2.038,1236 1.189,1237 2.052,1238 1.752,1239 1.73,1240 1.832,1241 1.84,1242 0.941,1243 1.849,1244 1.512,1245 1.501,1246 1.56,1247 1.674,1248 0.668,1249 1.683,1250 1.304,1251 1.347,1252 1.187,1253 1.484,1254 0.422,1255 1.489,1256 1.019,1257 0.992,1258 1.181,1259 1.241,1260 0.261,1261 1.216,1262 0.886,1263 0.824,1264 1.161,1265 1.062,1266 0.218,1267 1.107,1268 0.868,1269 0.821,1270 1.091,1271 1.022,1272 0.159,1273 1.061,1274 4.205,1276 5.572,1278 7.14,1280 8.798,1282 10.507,1285 11.984,1289 10.412,1291 4.709,1300 32.432,1301 82.673,1302 151.353,1303 182.161,1304 220.215,1305 230.215,1306 230.215,1307 76.567,1308 7.81,1309 95.5,1310 103.88,1311 24,1312 12.791,1313 4.524,1314 3.807,1315 47.345,1316 133,1317 130,1318 0.175,1319 207.805,1320 366.77,1321 498.804,1322 28181,1323 4.5,1324 21.466,1325 0.716,1326 0.584,1327 22.716,1328 17.515,1329 14.259,1330 0.432,1331 0.331,1332 8.785,1333 12.581,1334 8.429,1335 6.935,1336 15.657,1337 10.923,1338 13.792,1339 0.281,1340 0.183,1341 15.815,1342 8.951,1343 11.569,1344 0.178,1345 0.103,1346 13.545,1347 6.675,1348 9.354,1349 0.111,1350 0.055,1351 10.967,1352 4.616,1353 7.981,1354 0.073,1355 0.03,1356 9.664,1357 3.305,1358 0.279,1359 103.059,1360 0.216,1361 28.472,1362 0.468,1363 164,1364 545.289,1365 244.319,1366 610.828,1367 800.39,1368 558,1369 196,1370 509.749,1371 282.751,1372 573.986,1373 842.03,1374 538,1375 4} {0 CHEMBL113753,1 1.602,2 10.963,3 3.056,4 9.337,5 105.463,6 7.369,7 0.429,8 4.03,9 4.137,10 3.721,11 3.598,12 5.083,13 3.532,14 4.581,15 4.75,16 3.924,17 3.961,18 5.867,19 3.863,20 4.856,21 5.07,22 3.873,23 4.09,24 5.875,25 3.951,26 4.896,27 5.135,28 3.812,29 4.06,30 5.908,31 3.918,32 4.815,33 5.029,34 3.837,35 4.045,36 5.878,37 3.92,38 4.865,39 5.11,40 3.881,41 4.065,42 5.839,43 3.925,44 4.866,45 5.109,46 3.908,47 4.036,48 5.876,49 3.903,50 4.856,51 5.09,52 3.832,53 3.97,54 5.931,55 3.837,56 0.098,57 0.75,58 14.506,59 5.551,60 21.007,61 6.878,62 0.418,63 1.177,64 24.447,65 9.322,66 81.934,67 11.92,68 0.392,69 1.424,70 34.003,71 11.959,72 81.768,73 15.251,74 0.461,75 1.427,76 36.609,77 12.167,78 89.457,79 15.771,80 0.344,81 1.356,82 29.095,83 10.856,84 71.853,85 14.44,86 0.274,87 1.411,88 32.959,89 12.035,90 57.758,91 16.099,92 0.286,93 1.401,94 31.98,95 11.484,96 60.488,97 15.458,98 0.434,99 1.36,100 36.108,101 11.331,102 85.411,103 14.401,104 41,105 37,106 0.268,107 0.587,108 0.798,109 0.871,110 0.886,111 0.893,112 3.339,113 1.149,114 -2.99,115 -2.99,116 -2.88,118 37.7,119 1,120 5,124 2,140 5,141 4,143 2,154 1,163 1,167 1,168 14,169 1,171 1,172 3,175 3,177 2,180 16,181 1,186 5,191 3,194 15,195 1,198 6,203 4,206 13,207 2,210 6,215 4,218 11,219 2,222 8,227 5,229 8,230 3,234 10,239 5,242 7,243 1,247 8,252 2,253 1,255 5,256 1,259 5,260 1,262 2,263 1,264 2,267 5,268 1,270 1291,271 17.731,272 17.731,273 17.731,274 17.731,275 17.731,276 15.739,277 18.169,278 10.876,279 17.969,280 13.843,281 13.843,282 13.843,283 13.843,284 13.843,285 10.706,286 20.318,287 5.148,288 14.222,289 4.125,290 2.217,291 0.955,292 0.519,293 0.429,294 0.392,295 4.004,299 1,300 1,301 598,302 4.359,306 200.857,313 1.674,314 35.439,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 59,326 296,327 4.678,328 4.455,329 6.702,330 4.109,331 3.184,332 4.472,333 2.341,334 10.862,335 2.922,336 4.222,337 3.6,338 5.833,339 3.855,340 2.855,341 3.858,342 0.68,343 8.482,344 2.85,345 3.889,346 3.083,347 5.407,348 3.507,349 2.514,350 3.435,352 7.187,353 2.495,354 3.568,355 2.75,356 5.037,357 3.264,358 2.262,359 2.757,361 6.106,362 2.251,363 3.35,364 2.4,365 4.859,366 3.028,367 2.031,368 2.601,370 5.593,371 2.018,372 3.297,373 2.153,374 4.586,375 2.921,376 1.925,377 2.535,379 4.973,380 1.911,381 2.849,382 1.599,383 3.788,384 2.37,385 1.403,386 2,388 3.026,389 1.355,390 2.5,391 1.475,392 3.587,393 2.206,394 1.241,395 1.5,397 2.644,398 1.192,399 2.295,400 1.105,401 3.247,402 2.007,403 1.024,404 1.286,406 2.136,407 1.005,408 2.151,409 1.042,410 3.236,411 1.956,412 1,413 1.103,415 1.788,416 0.953,417 1.779,418 1,419 3,420 1.56,421 0.555,422 0.636,424 1.251,425 0.552,426 1.295,427 0.471,428 2.869,429 0.991,435 1.135,436 0.413,437 2.793,438 0.905,439 -0.066,440 -0.074,442 -0.165,443 -0.064,444 1,445 0.249,446 2.199,447 0.44,448 -0.524,449 -0.571,451 -0.844,452 -0.475,453 0.806,454 0.079,455 2.136,456 0.403,457 -0.571,458 -0.7,460 -1.548,461 -0.563,462 12.967,463 0.48,464 0.71,465 0.026,466 32.25,467 1.194,468 16.5,469 0.611,470 15.75,471 0.583,472 24.013,473 0.889,474 30.833,475 0.582,476 24.221,477 0.897,478 6.015,479 0.223,480 6.861,481 0.254,482 0.141,483 0.064,484 0.193,487 0.594,488 1.326,489 0.891,490 1.282,491 0.684,492 1.058,493 0.469,494 1.149,495 1.041,496 1.169,497 0.44,498 1.098,499 1.027,500 1.058,501 1.178,502 1.102,503 1.038,504 1.099,505 1.028,506 0.938,507 1.12,508 0.999,509 1.006,510 0.967,511 0.992,512 1.046,513 0.917,514 0.957,515 0.98,516 1.097,517 0.657,518 1.021,519 0.824,520 0.971,521 0.597,522 0.955,523 0.778,524 1.04,525 0.77,526 0.933,527 0.765,528 0.972,529 1.175,530 1.055,531 1.192,532 1.096,533 1.097,534 1.002,535 7,536 0.235,537 1.778,538 1.625,539 0.924,540 0.694,541 0.589,542 0.45,543 0.312,544 0.257,545 8272,546 25867,547 1.946,548 49.1,549 7,550 9,552 2,553 2,554 2,555 4,558 1.705,559 1.81,560 3.411,561 0.267,562 1,563 1,567 84.93,568 1.602,569 3.511,570 4.773,571 5.209,572 5.299,573 5.336,574 2.852,575 4.459,576 4.721,577 3.604,578 1264.96,579 8.225,580 17189.3,582 1,584 1,585 303.58,586 1.525,587 4.669,588 0.25,589 0.01,590 0.048,591 0.048,592 0.028,593 0.021,594 0.017,595 0.013,596 0.01,597 0.01,598 0.455,599 0.33,600 0.88,601 1.989,602 135.507,603 0.052,604 -0.07,605 0.191,606 -0.029,607 -0.102,608 0.032,609 0.291,610 -0.011,611 -0.039,612 -0.069,613 0.283,614 -0.066,615 -0.146,616 -0.031,617 -0.167,618 -0.057,619 -0.143,620 -0.092,621 -0.125,622 0.044,623 -0.101,624 0.017,625 -0.087,626 0.03,627 -0.131,628 -0.043,629 -0.1,630 -0.035,631 -0.094,632 -0.11,633 0.023,634 -0.049,635 0.083,636 0.008,637 0.047,638 0.062,639 -0.001,640 -0.067,641 0.103,642 -0.001,643 -0.014,644 0.02,645 -0.13,646 -0.057,647 -0.09,648 -0.061,649 -0.098,650 -0.025,651 4.145,652 4.79,653 0.444,654 29.377,655 1.004,656 1.127,657 1.756,658 3.082,659 0.653,660 3.367,661 3.638,662 3.714,663 3.912,664 4.06,665 4.111,666 4.22,667 4.344,668 4.382,669 4.394,670 6.784,671 0.612,672 390.55,673 3.367,674 4.875,675 5.652,676 6.5,677 7.296,678 8.15,679 8.957,680 9.813,681 10.626,682 11.485,683 3.8,685 1,693 1,699 7,700 1,704 4,706 12,724 53,726 15,727 1,728 28,730 54,731 20,733 11,734 3,735 3,739 2,740 2,745 1,751 5,753 12,754 8,756 3,760 1,761 3,765 1,769 1,772 26,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,840 27,844 1,845 1,846 7,847 1,862 7.5,864 1,865 3,869 14.917,870 9.4,871 6.083,872 3.294,874 2.282,875 1.338,876 0.929,877 8.114,878 9.036,879 3.638,880 4.19,881 4.483,882 4.966,883 5.43,884 5.545,885 5.853,886 6.241,887 6.541,888 6.788,889 1,890 34,891 10.18,893 4.362,894 8.028,895 19.042,897 15.366,899 2.528,900 68.25,903 1,904 282.506,905 109.439,906 33.191,908 112.141,910 5.807,911 103.632,912 394.648,913 33.191,914 8.825,915 15.678,916 69.594,917 153.379,918 30.837,920 258.964,922 282.506,923 136.822,924 112.141,925 5.807,927 235.422,928 159.226,931 59.003,932 61.033,933 22.593,935 282.506,936 145.332,937 109.439,939 5.807,940 282.506,941 29.33,942 74.301,943 16.405,944 128.927,945 282.506,946 145.332,947 109.439,949 0.565,950 0.287,951 0.148,952 0.078,953 14,954 7,955 0.204,956 11,958 1,959 3.873,960 206.299,962 12,963 126.382,967 1,968 21.238,969 10.316,970 8.003,972 145.332,973 13.432,974 4.125,978 4.084,980 59.088,981 537.277,982 37,986 -3.228,987 34.472,991 -0.832,994 53.192,995 59.737,996 0.28,997 0.613,998 0.833,999 0.909,1000 0.925,1001 0.932,1002 4.844,1003 1.241,1004 5.645,1005 3.026,1006 4.317,1007 4.875,1008 2.35,1009 6.389,1010 4.267,1011 6.056,1012 1.024,1013 7.165,1014 2.644,1015 4.007,1016 4.934,1017 2.243,1018 7.455,1019 3.899,1020 7.381,1021 1,1022 8.792,1023 2.136,1024 5.905,1025 7.108,1026 3.64,1027 10.33,1028 5.786,1029 8.745,1030 0.555,1031 10.485,1032 1.788,1033 6.365,1034 7.94,1035 4.112,1036 12.213,1037 6.158,1038 10.144,1040 12.223,1041 1.251,1042 7.792,1043 9.682,1044 5.203,1045 14.697,1046 7.57,1047 11.566,1048 -0.066,1049 13.992,1051 8.605,1052 10.85,1053 5.889,1054 16.891,1055 8.284,1056 13.008,1057 -0.524,1058 15.786,1059 -0.165,1060 9.847,1061 12.435,1062 6.849,1063 19.279,1064 9.496,1065 3.184,1066 -0.571,1067 17.598,1068 -0.844,1069 10.831,1070 13.761,1071 7.625,1072 21.588,1073 10.379,1074 2.855,1075 10.862,1076 19.426,1077 -1.548,1078 12.001,1079 15.283,1080 8.526,1081 23.959,1082 11.502,1083 2.514,1084 8.482,1085 21.265,1086 4.472,1087 13.066,1088 16.688,1089 9.342,1090 26.311,1091 12.472,1092 2.262,1093 7.187,1094 23.115,1095 3.858,1096 14.211,1097 18.186,1098 10.216,1099 28.683,1100 13.555,1101 2.031,1102 6.106,1103 24.974,1104 3.435,1105 15.315,1106 19.63,1107 11.051,1108 31.052,1109 14.568,1110 1.925,1111 5.593,1112 26.839,1113 2.757,1114 16.453,1115 21.119,1116 11.912,1117 33.429,1118 15.636,1119 1.403,1120 4.973,1121 28.711,1122 2.601,1123 17.577,1124 22.585,1125 12.755,1126 35.805,1127 16.671,1128 8478,1129 15101,1130 17.97,1131 34.614,1132 40.086,1133 41.798,1134 41.175,1135 40.061,1136 39.987,1137 52.367,1138 6.042,1139 108.095,1140 39.009,1141 5.586,1142 6.455,1143 6.504,1144 5.145,1145 5.184,1146 7.472,1147 3.925,1148 16.862,1149 4.922,1150 15.525,1151 1.432,1152 1.493,1153 1.471,1154 1.431,1155 1.428,1156 1.87,1157 0.216,1158 3.861,1159 1.393,1160 4.043,1161 4.059,1162 4.721,1163 3.994,1164 7.716,1165 3.959,1166 3.958,1167 3.944,1168 3.945,1169 3.921,1170 7.474,1171 3.811,1172 3.825,1173 3.862,1174 3.759,1175 3.733,1176 6.999,1177 3.733,1178 3.594,1179 3.629,1180 3.497,1181 3.423,1182 6.351,1183 3.426,1184 3.451,1185 3.523,1186 3.27,1187 3.283,1188 4.904,1189 3.268,1190 3.315,1191 3.357,1192 3.206,1193 3.178,1194 4.685,1195 3.134,1196 3.154,1197 3.195,1198 3.039,1199 2.985,1200 4.118,1201 2.987,1202 2.929,1203 2.985,1204 2.776,1205 2.722,1206 4.037,1207 2.726,1208 0.167,1209 0.159,1210 0.239,1211 0.147,1212 0.114,1213 4.678,1214 0.16,1215 4.455,1216 0.084,1217 6.702,1218 0.388,1219 4.109,1220 0.104,1221 3.184,1222 4.472,1223 2.341,1224 10.862,1225 2.922,1226 1.994,1227 1.97,1228 2.106,1229 2.074,1230 1.345,1231 2.091,1232 1.828,1233 1.828,1234 1.945,1235 1.96,1236 1.27,1237 2.009,1238 1.794,1239 1.772,1240 1.906,1241 1.918,1242 1.095,1243 1.935,1244 1.555,1245 1.509,1246 1.797,1247 1.757,1248 1.081,1249 1.77,1250 1.438,1251 1.376,1252 1.655,1253 1.653,1254 0.823,1255 1.674,1256 1.267,1257 1.232,1258 1.398,1259 1.455,1260 0.676,1261 1.507,1262 1.115,1263 1.071,1264 1.346,1265 1.333,1266 0.532,1267 1.34,1268 0.876,1269 0.827,1270 1.155,1271 1.158,1272 0.289,1273 1.162,1274 4.043,1276 5.323,1278 6.772,1280 8.299,1282 9.868,1284 1.829,1289 8.945,1290 2.807,1291 2.615,1300 32.411,1301 84.93,1302 186.077,1303 252.951,1304 276.07,1305 280.825,1306 282.825,1307 80.981,1308 6.753,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4,1314 3.322,1315 58.09,1316 107,1317 117,1318 0.258,1319 208.043,1320 365.23,1321 499.385,1322 6912,1324 19.7,1325 0.73,1326 0.605,1327 19.95,1328 16.335,1329 12.876,1330 0.46,1331 0.383,1332 9.127,1333 11.681,1334 8.736,1335 7.293,1336 13.73,1337 10.727,1338 11.823,1339 0.32,1340 0.229,1341 13.155,1342 8.479,1343 7.936,1344 0.198,1345 0.142,1346 8.827,1347 5.669,1348 6.501,1349 0.133,1350 0.082,1351 7.192,1352 4.006,1353 4.752,1354 0.083,1355 0.042,1356 5.069,1357 2.379,1358 0.407,1359 88.874,1360 0.236,1361 26.221,1362 0.705,1363 130,1364 414.195,1365 175.051,1366 418.918,1367 541.8,1368 382,1369 142,1370 346.634,1371 191.044,1372 384.825,1373 541.64,1374 358,1375 7.538} {0 CHEMBL114,1 1.491,2 15.041,3 3.881,4 15.059,5 186.323,6 6.777,7 0.321,8 4.661,9 4.795,10 4.127,11 4.173,12 5.706,13 4.134,14 5.247,15 5.434,16 4.517,17 4.606,18 6.262,19 4.537,20 5.631,21 5.859,22 4.614,23 4.816,24 6.623,25 4.71,26 5.778,27 6.05,28 4.634,29 4.827,30 6.721,31 4.711,32 5.73,33 5.966,34 4.718,35 4.796,36 6.924,37 4.721,38 5.76,39 5.992,40 4.768,41 4.87,42 6.908,43 4.791,44 5.875,45 6.118,46 4.79,47 4.975,48 6.905,49 4.872,50 5.947,51 6.2,52 4.829,53 5.026,54 7.016,55 4.917,56 0.083,57 1.441,58 22.676,59 9.284,60 20.086,61 13.016,62 0.386,63 2.369,64 42.343,65 15.868,66 64.963,67 23.09,68 0.944,69 3.127,70 64.945,71 21.601,72 128.906,73 31.872,74 0.871,75 3.295,76 76.859,77 24.217,78 138.992,79 36.452,80 1.399,81 3.164,82 74.171,83 21.708,84 261.969,85 32.165,86 1.336,87 3.368,88 75.606,89 22.831,90 225.943,91 33.896,92 1.109,93 3.71,94 84.428,95 27.174,96 190.994,97 39.603,98 1.294,99 3.915,100 91.131,101 28.882,102 243.189,103 42.669,104 91,105 75,106 0.218,107 0.531,108 0.735,109 0.842,110 0.871,111 0.877,112 3.915,113 0.985,114 -2.86,115 -2.87,116 -2.78,118 38.4,119 3,120 7,121 2,124 2,126 4,129 1,140 11,141 2,144 2,154 4,159 1,160 1,161 1,168 20,172 6,174 1,175 4,177 6,180 25,183 1,185 2,186 8,189 4,190 2,191 5,194 15,198 11,201 2,202 1,203 5,205 1,206 5,209 2,210 11,212 1,213 4,214 1,215 11,217 1,218 6,221 3,222 9,224 1,225 3,226 2,227 14,229 7,233 1,234 12,236 1,237 3,238 1,239 13,242 14,245 2,247 11,250 2,251 1,252 13,254 1,255 19,257 2,258 3,259 13,261 1,262 3,264 16,267 23,269 4,270 6284,271 32.187,272 32.187,273 32.187,274 32.187,275 32.187,276 29.61,277 29.413,278 18.982,279 32.435,280 26.219,281 26.219,282 26.219,283 26.219,284 26.219,285 22.292,286 39.515,287 9.109,288 26.638,289 5.139,290 2.99,291 1.593,292 0.858,293 0.659,294 0.619,295 4.61,301 1578,302 6.083,306 840.45,310 551.721,313 2.127,314 69.693,317 0.25,318 0.33,319 0.33,320 0.7,321 1,322 0.17,324 0.4,325 106,326 737,327 4.437,328 3.816,329 6.61,330 4.17,331 3.2,332 4.352,333 1.959,334 10.601,335 3.102,336 4.253,337 3.792,338 6.382,339 4.013,340 3.042,341 3.465,342 1.956,343 9.93,344 2.957,345 4.095,346 3.531,347 6.273,348 3.981,349 3,350 3.43,351 1.886,352 9.488,353 2.938,354 4.035,355 3.484,356 6.172,357 3.879,358 2.899,359 3.341,360 1.058,361 9.148,362 2.836,363 3.964,364 3.196,365 6.027,366 3.719,367 2.734,368 3.136,369 0.815,370 8.634,371 2.686,372 3.857,373 3.036,374 5.973,375 3.574,376 2.583,377 3.035,378 0.248,379 8.425,380 2.556,381 3.676,382 2.916,383 5.814,384 3.509,385 2.503,386 2.734,387 0.163,388 7.869,389 2.51,390 3.61,391 2.862,392 5.306,393 3.373,394 2.384,395 2.697,397 6.794,398 2.348,399 3.438,400 2.633,401 5.045,402 3.102,403 2.078,404 2.562,406 5.821,407 2.111,408 3.118,409 2.434,410 4.67,411 2.899,412 1.926,413 2.427,415 5.052,416 1.859,417 3.085,418 2.084,419 4.456,420 2.606,421 1.618,422 2.23,424 4.448,425 1.599,426 3.023,427 1.899,428 4.436,429 2.558,430 1.572,431 2.13,433 4.296,434 1.55,435 2.874,436 1.78,437 4.289,438 2.537,439 1.537,440 1.985,442 4.008,443 1.522,444 2.78,445 1.657,446 4.066,447 2.484,448 1.49,449 1.843,451 3.404,452 1.479,453 2.621,454 1.618,455 3.709,456 2.395,457 1.401,458 1.606,460 3.049,461 1.391,462 23.067,463 0.471,464 1.487,465 0.03,466 52.75,467 1.077,468 22,469 0.449,470 30.75,471 0.628,472 65.264,473 1.332,474 55.533,475 0.561,476 52.075,477 1.063,478 9.698,479 0.198,480 13.659,481 0.279,482 0.155,483 0.022,484 0.321,487 0.765,488 1.333,489 0.901,490 1.145,491 0.655,492 1.05,493 0.612,494 1.305,495 0.909,496 1.17,497 0.507,498 1.094,499 0.967,500 1.086,501 1.12,502 1.105,503 0.925,504 1.127,505 0.995,506 0.968,507 0.883,508 0.933,509 0.949,510 0.894,511 1.38,512 1.012,513 1.021,514 0.925,515 1.373,516 0.92,517 1.244,518 1.02,519 1.049,520 0.976,521 1.136,522 0.977,523 1.236,524 1.02,525 1.045,526 1.02,527 1.22,528 1.009,529 1.169,530 0.976,531 0.988,532 0.947,533 1.146,534 0.941,535 12,536 0.628,537 5.333,538 3.125,539 3.573,540 2.125,541 1.53,542 1.431,543 0.979,544 0.819,545 42739,546 99305,547 2.022,548 50.5,549 9,550 19,553 6,554 2,555 14,558 1.855,559 1.867,560 3.831,561 2.719,567 147.573,568 1.491,569 3.639,570 5.037,571 5.772,572 5.97,573 6.01,574 3.252,575 5.314,576 5.588,577 4.044,578 4755.4,579 9.981,580 94943.1,585 656.306,586 1.591,587 5.527,588 0.226,589 0.007,590 0.071,591 0.041,592 0.046,593 0.025,594 0.017,595 0.016,596 0.01,597 0.009,598 0.468,599 0.17,600 0.5,601 1.055,602 291.199,603 -0.066,604 -0.032,605 0.026,606 0.038,607 -0.058,608 0.045,609 0.119,610 -0.12,611 0.035,612 -0.068,613 0.097,614 -0.039,615 0.014,617 -0.133,618 -0.096,619 -0.048,620 -0.134,621 0.007,622 -0.007,623 0.115,624 0.026,625 0.004,626 0.08,627 0.044,628 -0.013,629 0.029,630 0.024,631 0.085,632 0.024,633 0.045,634 0.019,635 -0.017,636 -0.011,637 0.08,638 -0.02,639 -0.062,640 -0.021,641 -0.032,642 -0.037,643 -0.066,644 -0.032,645 -0.023,646 -0.002,647 0.022,648 0.027,649 0.016,650 0.033,651 2.632,652 6.829,653 0.531,654 62.24,655 0.997,656 1.133,657 1.632,658 2.662,659 0.637,660 3.989,661 4.331,662 4.533,663 4.796,664 5.05,665 5.112,666 5.247,667 5.384,668 5.485,669 5.46,670 9.152,671 0.599,672 670.94,673 3.989,674 5.549,675 6.382,676 7.265,677 8.118,678 9.002,679 9.865,680 10.75,681 11.619,682 12.505,683 6.1,686 1,690 4,693 1,698 2,699 11,700 1,704 2,706 17,712 1,724 99,726 21,727 2,728 53,730 103,731 38,733 15,734 3,735 9,736 1,739 5,740 7,745 3,748 6,749 2,751 11,753 19,754 19,755 3,756 4,761 4,765 4,772 50,773 11,774 6,775 11,779 6,784 0.6,785 5,787 1,795 1,802 5,806 2,815 1,816 2,828 1,830 1,832 3,836 3,840 49,841 1,845 1,846 9,847 3,850 6,851 1,852 1,862 5.1,863 1,865 4,869 26.25,870 17.767,871 10.569,872 6.086,874 2.276,875 1.268,876 0.926,877 12.216,878 10.776,879 4.197,880 4.71,881 5.13,882 5.619,883 6.123,884 6.284,885 6.606,886 6.892,887 7.205,888 7.03,889 0.9,890 77,891 18.526,893 8.206,894 7.838,895 35.137,897 29.851,899 2.338,900 114.583,904 517.928,905 182.145,906 106.839,908 143.263,911 182.145,912 661.192,913 106.839,914 26.476,915 108.883,916 146.922,917 136.184,918 13.784,920 517.928,922 517.928,923 288.985,924 143.263,927 353.133,928 265.375,929 42.683,931 143.383,932 128.816,933 16.786,935 517.928,936 250.102,937 182.145,940 517.928,941 51.431,942 133.839,943 54.032,944 192.946,945 517.928,946 250.102,947 182.145,949 0.587,950 0.319,951 0.174,952 0.101,953 33,954 17,955 0.126,956 13,957 2,958 1.154,959 5.369,960 532.756,961 0.154,962 26,963 266.366,968 36.601,969 16.354,970 10.178,971 1.47,972 250.102,973 20.136,974 4.411,978 0.975,980 129.613,981 950.176,982 65.5,987 52.787,991 -2.106,994 98.687,995 112.171,996 0.225,997 0.549,998 0.76,999 0.871,1000 0.901,1001 0.907,1002 5.469,1003 2.384,1004 6.395,1005 7.869,1006 5.017,1007 5.398,1008 3.14,1009 7.207,1010 4.983,1011 6.655,1012 2.078,1013 7.96,1014 6.794,1015 4.745,1016 5.207,1017 2.575,1018 8.199,1019 4.694,1020 7.951,1021 1.926,1022 9.624,1023 5.821,1024 6.648,1025 7.439,1026 4.091,1027 11.209,1028 6.57,1029 9.27,1030 1.618,1031 11.346,1032 5.052,1033 7.132,1034 8.004,1035 4.146,1036 12.956,1037 7.03,1038 10.618,1039 1.572,1040 13.103,1041 4.448,1042 8.557,1043 9.802,1044 5.244,1045 15.516,1046 8.43,1047 11.984,1048 1.537,1049 14.883,1050 4.296,1051 9.377,1052 10.751,1053 5.585,1054 17.569,1055 9.222,1056 13.366,1057 1.49,1058 16.679,1059 4.008,1060 10.614,1061 12.368,1062 6.483,1063 19.968,1064 10.433,1065 3.2,1066 1.401,1067 18.486,1068 3.404,1069 11.591,1070 13.539,1071 6.969,1072 22.156,1073 11.379,1074 3.042,1075 10.601,1076 20.302,1077 3.049,1078 12.752,1079 15.071,1080 7.762,1081 24.496,1082 12.513,1083 3,1084 9.93,1085 22.124,1086 4.352,1087 13.803,1088 16.373,1089 8.327,1090 26.749,1091 13.533,1092 2.899,1093 9.488,1094 23.951,1095 3.465,1096 14.935,1097 17.866,1098 9.062,1099 29.07,1100 14.636,1101 2.734,1102 9.148,1103 25.783,1104 3.43,1105 16.023,1106 19.243,1107 9.671,1108 31.357,1109 15.692,1110 2.583,1111 8.634,1112 27.618,1113 3.341,1114 17.147,1115 20.719,1116 10.374,1117 33.675,1118 16.787,1119 2.503,1120 8.425,1121 29.456,1122 3.136,1123 18.253,1124 22.138,1125 11.007,1126 35.98,1127 17.861,1128 40646,1129 62373,1130 34.501,1131 63.057,1132 80.618,1133 83.249,1134 81.164,1135 79.386,1136 79.345,1137 95.862,1138 16.17,1139 229.158,1140 78.139,1141 5.437,1142 5.816,1143 6.412,1144 5.223,1145 5.2,1146 7.352,1147 3.432,1148 17.626,1149 5.102,1150 29.421,1151 1.521,1152 1.571,1153 1.531,1154 1.498,1155 1.497,1156 1.809,1157 0.305,1158 4.324,1159 1.474,1160 4.086,1161 4.12,1162 4.039,1163 4.005,1164 7.441,1165 4.009,1166 4.008,1167 4.052,1168 3.918,1169 3.902,1170 7.43,1171 3.898,1172 3.922,1173 3.959,1174 3.837,1175 3.847,1176 7.427,1177 3.838,1178 3.79,1179 3.833,1180 3.718,1181 3.619,1182 7.424,1183 3.634,1184 3.76,1185 3.821,1186 3.639,1187 3.595,1188 6.449,1189 3.599,1190 3.661,1191 3.717,1192 3.548,1193 3.498,1194 4.973,1195 3.502,1196 3.534,1197 3.584,1198 3.463,1199 3.401,1200 4.882,1201 3.406,1202 3.514,1203 3.556,1204 3.391,1205 3.353,1206 4.752,1207 3.351,1208 0.084,1209 0.072,1210 0.125,1211 0.079,1212 0.06,1213 4.437,1214 0.082,1215 3.816,1216 0.037,1217 6.61,1218 0.2,1219 4.17,1220 0.059,1221 3.2,1222 4.352,1223 1.959,1224 10.601,1225 3.102,1226 2.035,1227 2.011,1228 2.156,1229 2.123,1230 1.588,1231 2.131,1232 1.971,1233 1.924,1234 2.114,1235 2.117,1236 1.314,1237 2.12,1238 1.926,1239 1.894,1240 2.061,1241 2.025,1242 1.208,1243 2.038,1244 1.742,1245 1.685,1246 1.975,1247 1.933,1248 1.179,1249 1.949,1250 1.719,1251 1.673,1252 1.883,1253 1.923,1254 1.129,1255 1.911,1256 1.628,1257 1.576,1258 1.83,1259 1.828,1260 1.099,1261 1.835,1262 1.507,1263 1.462,1264 1.731,1265 1.702,1266 1.011,1267 1.713,1268 1.479,1269 1.436,1270 1.635,1271 1.654,1272 0.921,1273 1.641,1274 4.673,1276 6.009,1278 7.521,1280 9.115,1282 10.754,1284 5.872,1288 5.519,1289 11.847,1290 5.952,1291 8.703,1294 -2.656,1295 2.08,1296 -0.406,1300 59.292,1301 147.573,1302 360.25,1303 498.63,1304 571.412,1305 591.022,1306 595.022,1307 168.008,1308 8.5,1309 166.75,1310 166.75,1311 30,1312 13.04,1313 4.459,1314 3.755,1315 86.9,1316 260,1317 301,1318 0.151,1319 363.931,1320 649.73,1321 879.751,1322 67971,1324 35.131,1325 0.717,1326 0.586,1327 35.131,1328 28.731,1329 23.357,1330 0.441,1331 0.328,1332 17.214,1333 22.632,1334 16.731,1335 13.883,1336 23.357,1337 17.394,1338 22.348,1339 0.298,1340 0.196,1341 22.348,1342 14.707,1343 16.671,1344 0.181,1345 0.105,1346 16.671,1347 9.673,1348 14.111,1349 0.118,1350 0.061,1351 14.111,1352 7.264,1353 11.667,1354 0.075,1355 0.036,1356 11.667,1357 5.536,1358 0.237,1359 145.499,1360 0.17,1361 41.856,1362 0.415,1363 256,1364 682.693,1365 278.951,1366 660.467,1367 877.66,1368 612,1369 295,1370 621.142,1371 317.152,1372 630.658,1373 913.66,1374 592,1375 5.661} {0 CHEMBL114063,1 1.524,2 11.867,3 4.636,4 21.495,5 117.27,6 7.701,7 0.563,8 4.075,9 4.167,10 3.797,11 3.72,12 5.165,13 3.651,14 4.605,15 4.745,16 4.049,17 4.095,18 5.886,19 4.002,20 4.898,21 5.087,22 4.046,23 4.228,24 5.977,25 4.094,26 4.96,27 5.182,28 3.959,29 4.185,30 6.014,31 4.046,32 4.869,33 5.068,34 3.951,35 4.164,36 5.952,37 4.036,38 4.937,39 5.173,40 3.945,41 4.172,42 5.927,43 4.03,44 4.91,45 5.141,46 3.983,47 4.146,48 5.915,49 4.01,50 4.909,51 5.134,52 3.928,53 4.099,54 5.981,55 3.967,56 0.072,57 0.717,58 13.404,59 6.003,60 20.395,61 6.928,62 0.27,63 1.179,64 22.567,65 9.975,66 72.648,67 12.105,68 0.278,69 1.525,70 34.007,71 13.547,72 73.522,73 16.271,74 0.405,75 1.58,76 37.649,77 13.983,78 92.428,79 17.151,80 0.24,81 1.448,82 30.063,83 12.554,84 66.591,85 15.819,86 0.285,87 1.558,88 34.886,89 13.633,90 68.251,91 17.565,92 0.212,93 1.507,94 32.346,95 13.143,96 61.573,97 17.041,98 0.39,99 1.516,100 37.236,101 13.165,102 88.568,103 15.898,104 20,105 43,106 0.25,107 0.542,108 0.731,109 0.853,110 0.875,111 0.881,112 3.44,113 1.085,114 -4.68,115 -4.59,116 -4.32,118 43.6,120 5,124 1,140 10,141 4,142 1,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 1,177 1,180 21,181 1,186 9,191 1,194 19,195 1,198 8,203 1,206 17,207 2,210 8,215 2,218 17,219 2,222 8,227 2,229 13,230 3,234 10,239 3,242 12,243 2,247 10,252 2,255 11,256 1,259 5,260 1,264 1,267 12,268 1,270 1712,271 19.955,272 19.955,273 19.955,274 19.955,275 19.955,276 17.286,277 19.861,278 12.173,279 20.317,280 15.862,281 15.862,282 15.862,283 15.862,284 15.862,285 11.814,286 22.872,287 5.871,288 16.448,289 4.257,290 2.473,291 1.313,292 0.573,293 0.436,294 0.4,295 4.122,299 1,300 1,301 747,302 4.183,306 337.568,313 1.693,314 38.494,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 64.5,326 356,327 4.842,328 5.246,329 7.292,330 4.233,331 3.372,332 4.694,333 2.95,334 12.402,335 2.875,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 2.341,343 8.482,344 2.848,345 3.889,346 3.083,347 5.407,348 3.507,349 2.514,350 3.435,351 0.68,352 7.187,353 2.496,354 3.57,355 2.829,356 5.042,357 3.266,358 2.263,359 3.053,361 6.11,362 2.253,363 3.555,364 2.738,365 4.923,366 3.059,367 2.07,368 2.757,370 5.599,371 2.04,372 3.349,373 2.38,374 4.855,375 2.991,376 2,377 2.6,379 5.371,380 1.968,381 3.297,382 2.148,383 4.586,384 2.921,385 1.925,386 2.535,388 4.972,389 1.911,390 2.849,391 1.733,392 3.713,393 2.371,394 1.403,395 2,397 3.026,398 1.356,399 2.709,400 1.483,401 3.588,402 2.257,403 1.282,404 1.786,406 2.87,407 1.241,408 2.5,409 1.092,410 3.389,411 2.03,412 1.03,413 1.5,415 2.344,416 1.03,417 2.5,418 1.007,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.25,427 1,428 3.247,429 1.956,430 1,431 1.204,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.617,446 2.914,447 0.991,453 1.135,454 0.415,455 2.862,456 0.889,457 -0.082,458 -0.095,460 -0.214,461 -0.079,462 14.567,463 0.486,464 0.751,465 0.025,466 40,467 1.333,468 22.5,469 0.75,470 17.5,471 0.583,472 24.573,473 0.819,474 32.233,475 0.586,476 30.633,477 1.021,478 7.669,479 0.256,480 6.751,481 0.225,482 0.092,483 0.057,484 0.206,487 0.551,488 1.096,489 0.86,490 1.117,491 0.663,492 0.95,493 0.504,494 1.113,495 1.005,496 1.128,497 0.488,498 1.077,499 0.964,500 1.105,501 1.202,502 1.163,503 0.98,504 1.13,505 1.073,506 0.922,507 1.108,508 0.988,509 1.078,510 0.983,511 0.894,512 1.101,513 0.961,514 1.056,515 0.921,516 1.13,517 0.751,518 0.954,519 0.886,520 0.942,521 0.707,522 0.964,523 0.712,524 1.035,525 0.769,526 0.948,527 0.744,528 0.987,529 1.149,530 0.966,531 1.177,532 1.039,533 1.081,534 0.965,535 7,536 0.24,537 2.444,538 1.938,539 1.093,540 0.799,541 0.649,542 0.431,543 0.337,544 0.274,545 11982,546 35756,547 2.024,548 45.5,549 6,550 12,552 2,553 1,554 2,555 2,558 1.732,559 1.905,560 3.534,561 -0.382,567 83.839,568 1.524,569 3.308,570 4.468,571 5.208,572 5.345,573 5.381,574 2.899,575 4.215,576 4.877,577 3.717,578 1616.95,579 8.527,580 23669.9,582 1,585 317.975,586 1.433,587 4.835,588 0.219,589 0.008,590 0.057,591 0.047,592 0.029,593 0.021,594 0.017,595 0.011,596 0.009,597 0.008,598 0.426,599 0.17,600 1,601 1.042,602 156.001,603 0.053,604 0.009,605 0.171,606 0.026,607 -0.094,608 0.051,609 0.212,610 -0.058,611 -0.036,612 -0.073,613 0.229,614 -0.088,615 -0.104,616 -0.102,617 -0.158,618 -0.108,619 -0.091,620 -0.131,621 -0.117,622 0.053,623 -0.081,624 0.019,625 -0.088,626 0.012,627 -0.071,628 -0.14,629 -0.097,630 -0.111,631 -0.048,632 -0.144,633 -0.011,634 0.008,635 0.041,636 0.02,637 0.015,638 0.044,639 0.032,640 -0.085,641 0.114,642 -0.008,643 0.004,644 0.017,645 -0.114,646 0.034,647 -0.074,648 -0.007,649 -0.095,650 0.023,651 4.223,652 5.503,653 0.6,654 32.667,655 1.002,656 1.113,657 3.446,658 11.873,659 0.684,660 3.497,661 3.784,662 3.932,663 4.127,664 4.304,665 4.29,666 4.394,667 4.466,668 4.543,669 4.595,670 7.297,671 0.643,672 423.57,673 3.497,674 5.017,675 5.82,676 6.673,677 7.495,678 8.353,679 9.183,680 10.044,681 10.879,682 11.741,683 1.8,693 1,699 12,700 1,704 5,706 18,724 55,726 21,727 2,728 32,730 57,731 24,733 17,734 4,735 8,739 3,740 3,751 5,753 18,754 6,756 3,760 1,761 3,765 1,769 1,772 25,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,840 30,843 1,845 1,846 6,862 7.3,864 1,865 3,869 15.75,870 9.567,871 6.625,872 3.281,874 2.894,875 1.404,876 0.96,877 7.511,878 10.061,879 3.807,880 4.388,881 4.806,882 5.299,883 5.778,884 5.811,885 6.11,886 6.337,887 6.655,888 6.939,889 0.875,890 41,891 11.322,893 4.977,894 7.964,895 21.196,897 17.516,899 2.464,900 73.917,903 1,904 282.506,905 147.679,906 16.786,908 112.141,910 6.046,911 141.633,912 394.648,913 16.786,915 13.572,916 100.808,917 153.379,918 32.388,920 258.964,922 282.506,923 158.418,924 112.141,925 6.046,927 258.964,928 135.683,931 31.667,932 109.965,933 22.831,935 282.506,936 128.927,937 147.679,939 6.046,940 282.506,941 28.775,942 112.857,944 128.927,945 282.506,946 128.927,947 147.679,949 0.572,950 0.305,951 0.157,952 0.088,953 18,954 8,955 0.175,956 10,958 1,959 4.194,960 248.323,962 18,963 141.207,967 1,968 21.893,969 10.292,970 6.895,972 128.927,973 22.015,974 4.146,978 4.481,980 42.683,981 559.112,982 44,986 -3.307,987 35.981,991 -0.83,994 55.091,995 61.238,996 0.264,997 0.572,998 0.773,999 0.901,1000 0.925,1001 0.931,1002 5.014,1003 1.403,1004 5.808,1005 4.972,1006 4.466,1007 5.075,1008 3.328,1009 6.581,1010 4.393,1011 6.23,1012 1.282,1013 7.347,1014 3.026,1015 4.111,1016 5.027,1017 2.243,1018 7.695,1019 3.897,1020 7.552,1021 1.03,1022 9.004,1023 2.87,1024 6.066,1025 7.318,1026 5.245,1027 10.683,1028 5.867,1029 8.918,1030 1,1031 10.742,1032 2.344,1033 6.538,1034 8.102,1035 4.112,1036 12.713,1037 6.13,1038 10.322,1039 1,1040 12.539,1041 2.136,1042 8.005,1043 9.923,1044 7.313,1045 15.332,1046 7.602,1047 11.756,1048 0.555,1049 14.379,1050 2.136,1051 8.87,1052 11.099,1053 5.889,1054 17.692,1055 8.235,1056 13.215,1058 16.254,1059 1.251,1060 10.153,1061 12.742,1062 9.427,1063 20.227,1064 9.482,1065 3.372,1066 -0.082,1067 18.155,1069 11.204,1070 14.108,1071 7.625,1072 22.693,1073 10.31,1074 2.856,1075 12.402,1076 20.077,1077 -0.214,1078 12.423,1079 15.682,1080 11.56,1081 25.212,1082 11.449,1083 2.514,1084 8.482,1085 22.014,1086 4.694,1087 13.558,1088 17.139,1089 9.342,1090 27.712,1091 12.382,1092 2.263,1093 7.187,1094 23.963,1095 3.858,1096 14.76,1097 18.688,1098 13.706,1099 30.228,1100 13.469,1101 2.07,1102 6.11,1103 25.922,1104 3.435,1105 15.933,1106 20.189,1107 11.051,1108 32.74,1109 14.457,1110 2,1111 5.599,1112 27.887,1113 3.053,1114 17.133,1115 21.73,1116 15.858,1117 35.256,1118 15.521,1119 1.925,1120 5.371,1121 29.857,1122 2.757,1123 18.325,1124 23.253,1125 12.755,1126 37.772,1127 16.537,1128 11714,1129 20370,1130 21.148,1131 37.608,1132 46.873,1133 48.97,1134 47.172,1135 46.693,1136 46.543,1137 63.12,1138 11.942,1139 127.775,1140 45.046,1141 5.746,1142 7.246,1143 7.094,1144 5.317,1145 5.372,1146 7.694,1147 5.9,1148 19.546,1149 4.875,1150 14.584,1151 1.465,1152 1.53,1153 1.474,1154 1.459,1155 1.454,1156 1.972,1157 0.373,1158 3.993,1159 1.408,1160 4.1,1161 4.087,1162 4.741,1163 4.112,1164 7.714,1165 4.016,1166 3.991,1167 4.004,1168 3.945,1169 3.946,1170 7.474,1171 3.928,1172 3.828,1173 3.868,1174 3.76,1175 3.736,1176 6.999,1177 3.736,1178 3.682,1179 3.706,1180 3.677,1181 3.613,1182 6.351,1183 3.565,1184 3.577,1185 3.597,1186 3.495,1187 3.411,1188 4.905,1189 3.411,1190 3.345,1191 3.374,1192 3.25,1193 3.227,1194 4.718,1195 3.196,1196 3.155,1197 3.195,1198 3.04,1199 2.993,1200 4.68,1201 2.993,1202 2.944,1203 2.991,1204 2.796,1205 2.755,1206 3.981,1207 2.756,1208 0.151,1209 0.164,1210 0.228,1211 0.132,1212 0.105,1213 4.842,1214 0.147,1215 5.246,1216 0.092,1217 7.292,1218 0.388,1219 4.233,1220 0.09,1221 3.372,1222 4.694,1223 2.95,1224 12.402,1225 2.875,1226 2.009,1227 2.008,1228 2.11,1229 2.079,1230 1.395,1231 2.109,1232 1.965,1233 1.956,1234 2.003,1235 2.023,1236 1.279,1237 2.06,1238 1.815,1239 1.778,1240 1.947,1241 1.934,1242 1.095,1243 1.94,1244 1.651,1245 1.626,1246 1.839,1247 1.795,1248 1.077,1249 1.824,1250 1.513,1251 1.485,1252 1.692,1253 1.696,1254 0.882,1255 1.707,1256 1.294,1257 1.271,1258 1.421,1259 1.446,1260 0.688,1261 1.493,1262 1.116,1263 1.075,1264 1.281,1265 1.331,1266 0.509,1267 1.336,1268 0.893,1269 0.852,1270 1.181,1271 1.151,1272 0.276,1273 1.156,1274 4.174,1276 5.468,1278 6.944,1280 8.502,1282 10.104,1289 9.013,1290 2.418,1300 35.389,1301 83.839,1302 181.962,1303 245.736,1304 286.465,1305 293.975,1306 295.975,1307 77.336,1308 7.166,1309 84.33,1310 92.71,1311 18,1312 12.296,1313 4.459,1314 3.7,1315 55.107,1316 128,1317 126,1318 0.2,1319 223.443,1320 392.25,1321 536.96,1322 12415,1324 21.399,1325 0.713,1326 0.584,1327 21.649,1328 17.515,1329 14.421,1330 0.451,1331 0.362,1332 9.997,1333 13.284,1334 9.61,1335 7.968,1336 15.242,1337 11.577,1338 13.232,1339 0.308,1340 0.219,1341 14.555,1342 9.434,1343 9.688,1344 0.194,1345 0.133,1346 10.795,1347 6.668,1348 7.765,1349 0.127,1350 0.078,1351 8.638,1352 4.764,1353 6.124,1354 0.084,1355 0.045,1356 6.82,1357 3.306,1358 0.318,1359 97.39,1360 0.217,1361 28.677,1362 0.54,1363 150,1364 451.862,1365 196.116,1366 460.806,1367 604.33,1368 422,1369 168,1370 394.847,1371 217.993,1372 437.067,1373 620.32,1374 408,1375 7.569} {0 CHEMBL114251,1 1.64,2 18.533,3 2.866,4 8.215,5 171.53,6 7.6,7 0.367,8 4.507,9 4.622,10 4.115,11 4.039,12 5.598,13 4.007,14 5.068,15 5.241,16 4.448,17 4.426,18 6.109,19 4.365,20 5.327,21 5.54,22 4.521,23 4.559,24 6.34,25 4.479,26 5.362,27 5.56,28 4.584,29 4.543,30 6.497,31 4.486,32 5.377,33 5.57,34 4.562,35 4.59,36 6.492,37 4.522,38 5.442,39 5.661,40 4.534,41 4.665,42 6.458,43 4.553,44 5.468,45 5.71,46 4.474,47 4.628,48 6.505,49 4.511,50 5.4,51 5.636,52 4.391,53 4.563,54 6.368,55 4.457,56 0.096,57 1.23,58 17.344,59 7.839,60 13.984,61 9.978,62 0.547,63 2.006,64 37.387,65 12.938,66 46.235,67 16.872,68 0.671,69 2.384,70 49.429,71 16.929,72 71.065,73 22.273,74 0.842,75 2.409,76 53.258,77 16.436,78 115.789,79 21.091,80 1.001,81 2.445,82 51.031,83 16.959,84 120.498,85 21.73,86 0.943,87 2.659,88 57.304,89 19.877,90 95.146,91 26.448,92 0.933,93 2.674,94 58.987,95 19.683,96 127.528,97 27.394,98 0.687,99 2.452,100 51.264,101 18.006,102 84.749,103 24.963,104 26,105 65,106 0.247,107 0.567,108 0.775,109 0.852,110 0.886,111 0.893,112 3.832,113 0.998,114 -3.51,115 -3.49,116 -3.33,118 39.8,119 1,120 3,124 7,126 1,127 1,140 8,141 4,143 4,153 1,154 3,162 1,168 12,171 3,172 12,177 2,180 11,185 1,186 15,189 2,191 1,194 7,197 1,198 19,201 1,203 1,206 7,209 5,210 14,218 8,221 4,222 9,225 1,229 9,233 7,234 10,242 9,246 1,247 9,250 1,252 1,255 7,258 1,259 13,264 2,267 5,270 5332,271 31.078,272 31.078,273 31.078,274 31.078,275 31.078,276 28.363,277 27.777,278 19.039,279 31.927,280 24.174,281 24.174,282 24.174,283 24.174,284 24.174,285 20.027,286 26.546,287 8.982,288 25.355,289 4.735,290 2.61,291 1.223,292 0.717,293 0.491,294 0.443,295 4.535,301 1791,302 4.899,305 143.963,306 677.761,313 3.013,314 52.521,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,323 0.5,324 0.59,325 98,326 834,327 4.527,328 4.549,329 6.823,330 4.183,331 3.193,332 4.143,333 3.528,334 11.266,335 3.162,336 4.191,337 4.004,338 6.436,339 3.996,340 3.046,341 3.589,342 2.443,343 9.884,344 2.895,345 4.104,346 3.807,347 6.263,348 3.791,349 2.832,350 3.562,351 2.373,352 9.271,353 2.728,354 3.997,355 3.703,356 6.112,357 3.693,358 2.725,359 3.266,360 1.985,361 8.898,362 2.621,363 3.664,364 3.681,365 5.587,366 3.35,367 2.373,368 2.957,369 1.2,370 7.209,371 2.297,372 3.655,373 2.99,374 5.221,375 3.333,376 2.365,377 2.825,378 0.635,379 6.277,380 2.283,381 3.353,382 2.958,383 5.029,384 3.064,385 2.123,386 2.586,387 0.478,388 6.066,389 1.99,390 3.278,391 2.56,392 4.778,393 2.834,394 1.884,395 2.449,396 0.293,397 4.932,398 1.781,399 3.019,400 2.351,401 4.415,402 2.68,403 1.729,404 2.128,405 0.286,406 4.275,407 1.631,408 2.825,409 2.173,410 4.13,411 2.62,412 1.664,413 1.928,414 0.048,415 3.705,416 1.585,417 2.795,418 2.052,419 3.784,420 2.465,421 1.485,422 1.861,424 3.362,425 1.446,426 2.761,427 1.903,428 3.706,429 2.295,430 1.313,431 1.811,433 2.938,434 1.288,435 2.535,436 1.844,437 3.62,438 2.203,439 1.258,440 1.5,442 2.772,443 1.181,444 2.517,445 1.81,446 3.48,447 2.119,448 1.173,449 1.5,451 2.646,452 1.092,453 2.5,454 1.672,455 3.476,456 1.967,457 1,458 1.49,460 2.275,461 0.965,462 21.4,463 0.476,464 0.798,465 0.018,466 53.5,467 1.189,468 24,469 0.533,470 29.5,471 0.656,472 47.296,473 1.051,474 49.4,475 0.595,476 47.836,477 1.063,478 10.34,479 0.23,480 11.706,481 0.26,482 0.07,484 0.271,487 0.682,488 1.383,489 0.756,490 1.107,491 0.526,492 1.013,493 0.892,494 1.185,495 1.075,496 1.098,497 0.612,498 1.008,499 1.059,500 0.999,501 0.959,502 0.956,503 0.931,504 0.938,505 1.489,506 1.084,507 1.067,508 1.025,509 1.753,510 0.965,511 1.431,512 0.981,513 1.059,514 0.91,515 1.54,516 0.98,517 0.784,518 1.075,519 1.09,520 1.11,521 0.688,522 1.081,523 0.702,524 1.014,525 0.974,526 1.044,527 0.703,528 1.035,529 0.941,530 1.005,531 0.861,532 0.94,533 0.891,534 1.02,535 6,536 0.362,537 4.889,538 2.875,539 1.842,540 1.348,541 1.021,542 0.624,543 0.349,544 0.391,545 39472,546 108719,547 2.095,548 45.8,549 2,550 23,551 1,552 4,553 1,554 2,555 5,558 1.828,559 2,560 4.102,561 -0.363,567 136.123,568 1.64,569 3.765,570 5.152,571 5.658,572 5.884,573 5.932,574 3.637,575 5.031,576 5.454,577 4.312,578 4268.66,579 9.676,580 84574.7,585 529.128,586 1.227,587 5.441,588 0.122,589 0.006,590 0.075,591 0.042,592 0.026,593 0.019,594 0.015,595 0.01,596 0.006,597 0.007,598 0.328,599 0.33,600 0.5,601 1.531,602 267.126,603 0.036,604 -0.179,605 0.073,606 -0.047,607 0.017,608 -0.014,609 0.017,610 -0.04,611 -0.053,612 -0.034,613 0.027,614 -0.03,615 -0.063,616 0.031,617 0.019,618 0.034,619 -0.028,620 0.04,621 -0.176,622 -0.061,623 -0.03,624 -0.033,625 -0.183,626 -0.018,627 -0.142,628 0.043,629 -0.101,630 0.045,631 -0.164,632 -0.038,633 0.097,634 -0.056,635 -0.082,636 -0.08,637 0.062,638 -0.079,639 0.123,640 -0.024,641 -0.015,642 -0.07,643 0.137,644 -0.037,645 -0.047,646 -0.043,647 -0.013,648 -0.03,649 -0.043,650 -0.034,651 1.89,652 6.867,653 0.644,654 75.565,655 1.006,656 1.128,657 2.282,658 5.208,659 0.664,660 3.912,661 4.19,662 4.466,663 4.7,664 4.898,665 4.97,666 5.112,667 5.193,668 5.293,669 5.412,670 10.333,671 0.63,672 630.84,673 3.912,674 5.434,675 6.275,676 7.133,677 7.994,678 8.863,679 9.734,680 10.61,681 11.486,682 12.366,683 7.2,685 1,690 2,692 1,693 2,699 12,700 2,704 4,706 18,709 1,713 1,724 83,726 22,727 1,728 49,730 87,731 33,733 16,734 2,735 4,736 2,739 5,740 5,745 1,748 1,751 4,753 20,754 13,756 4,761 3,764 1,765 4,772 38,773 11,774 1,775 12,776 1,779 6,784 1,785 5,795 2,801 1,802 4,817 1,819 1,826 1,832 5,833 1,834 1,836 1,840 45,846 10,847 1,848 2,849 1,850 2,851 2,862 6,865 3,867 2,869 22.5,870 14.917,871 10.222,872 5.225,874 3.136,875 1.362,876 0.953,877 12.11,878 11.805,879 4.143,880 4.62,881 5.125,882 5.593,883 6.053,884 6.156,885 6.502,886 6.721,887 6.975,888 7.209,889 0.923,890 69,891 16.776,893 7.111,894 7.774,895 32.006,897 26.075,899 2.274,900 102.333,904 435.531,905 211.255,906 77.23,908 97.653,910 32.22,911 179.035,912 533.184,913 77.23,914 8.825,915 32.36,916 93.821,917 175.448,918 90.55,919 11.771,920 408.895,922 435.531,923 256.266,924 97.653,925 32.22,927 376.675,928 156.509,931 114.785,932 107.91,933 33.571,934 32.22,935 435.531,936 174.884,937 211.255,940 435.531,941 90.43,942 127.073,943 18.011,944 150.624,945 435.531,946 174.884,947 211.255,949 0.563,950 0.332,951 0.181,952 0.095,953 27,954 12,955 0.149,956 13,958 1,959 5.441,960 452.371,962 29,963 241.133,964 1,968 32.773,969 16.628,970 8.769,972 174.884,973 21.843,974 8.43,978 2.903,980 18.011,981 821.669,982 62,987 38.792,990 4.437,991 0.208,994 83.461,995 93.6,996 0.257,997 0.591,998 0.808,999 0.888,1000 0.923,1001 0.931,1002 5.368,1003 1.884,1004 6.225,1005 6.066,1006 4.875,1007 5.308,1008 4.044,1009 7.008,1010 4.792,1011 6.516,1012 1.729,1013 7.763,1014 4.932,1015 4.29,1016 4.844,1017 2.94,1018 7.883,1019 4.205,1020 7.785,1021 1.664,1022 9.41,1023 4.275,1024 6.428,1025 7.324,1026 6.044,1027 11.017,1028 6.279,1029 9.09,1030 1.485,1031 11.127,1032 3.705,1033 6.758,1034 7.742,1035 5.272,1036 12.782,1037 6.607,1038 10.433,1039 1.313,1040 12.889,1041 3.362,1042 8.288,1043 9.657,1044 8.324,1045 15.413,1046 8.087,1047 11.803,1048 1.258,1049 14.682,1050 2.938,1051 9.039,1052 10.499,1053 7.714,1054 17.523,1055 8.834,1056 13.194,1057 1.173,1058 16.497,1059 2.772,1060 10.324,1061 12.165,1062 10.716,1063 19.991,1064 10.081,1065 3.193,1066 1,1067 18.327,1068 2.646,1069 11.275,1070 13.239,1071 10.275,1072 22.248,1073 11.023,1074 3.046,1075 11.266,1076 20.169,1077 2.275,1078 12.458,1079 14.78,1080 13.161,1081 24.661,1082 12.179,1083 2.832,1084 9.884,1085 22.02,1086 4.143,1087 13.504,1088 15.988,1089 12.886,1090 26.988,1091 13.213,1092 2.725,1093 9.271,1094 23.878,1095 3.589,1096 14.649,1097 17.463,1098 15.63,1099 29.385,1100 14.339,1101 2.373,1102 8.898,1103 25.741,1104 3.562,1105 15.739,1106 18.753,1107 15.508,1108 31.748,1109 15.417,1110 2.365,1111 7.209,1112 27.61,1113 3.266,1114 16.873,1115 20.193,1116 18.112,1117 34.144,1118 16.535,1119 2.123,1120 6.277,1121 29.483,1122 2.957,1123 17.986,1124 21.532,1125 18.124,1126 36.526,1127 17.637,1128 37459,1129 62316,1130 33.285,1131 55.137,1132 72.715,1133 78.844,1134 74.148,1135 71.922,1136 71.949,1137 89.097,1138 26.539,1139 197.271,1140 68.853,1141 5.527,1142 6.549,1143 6.651,1144 5.287,1145 5.193,1146 7.143,1147 6.918,1148 18.795,1149 5.162,1150 19.402,1151 1.484,1152 1.609,1153 1.513,1154 1.468,1155 1.468,1156 1.818,1157 0.542,1158 4.026,1159 1.405,1160 4.029,1161 4.062,1162 4.061,1163 3.941,1164 7.434,1165 3.945,1166 3.927,1167 3.963,1168 3.962,1169 3.845,1170 7.428,1171 3.828,1172 3.841,1173 3.893,1174 3.775,1175 3.717,1176 7.425,1177 3.723,1178 3.782,1179 3.824,1180 3.715,1181 3.635,1182 5.005,1183 3.646,1184 3.746,1185 3.788,1186 3.646,1187 3.578,1188 4.897,1189 3.577,1190 3.628,1191 3.682,1192 3.628,1193 3.499,1194 4.797,1195 3.475,1196 3.525,1197 3.578,1198 3.388,1199 3.293,1200 4.643,1201 3.298,1202 3.329,1203 3.386,1204 3.304,1205 3.11,1206 4.468,1207 3.122,1208 0.092,1209 0.093,1210 0.139,1211 0.085,1212 0.065,1213 4.527,1214 0.085,1215 4.549,1216 0.072,1217 6.823,1218 0.23,1219 4.183,1220 0.065,1221 3.193,1222 4.143,1223 3.528,1224 11.266,1225 3.162,1226 1.962,1227 1.94,1228 2.048,1229 2.07,1230 1.288,1231 2.063,1232 1.845,1233 1.81,1234 1.964,1235 1.997,1236 1.279,1237 1.99,1238 1.803,1239 1.763,1240 1.951,1241 1.962,1242 1.139,1243 1.964,1244 1.749,1245 1.695,1246 1.944,1247 1.907,1248 1.076,1249 1.919,1250 1.711,1251 1.662,1252 1.898,1253 1.891,1254 1.034,1255 1.896,1256 1.501,1257 1.452,1258 1.8,1259 1.741,1260 0.94,1261 1.758,1262 1.483,1263 1.42,1264 1.685,1265 1.712,1266 0.933,1267 1.71,1268 1.269,1269 1.215,1270 1.54,1271 1.539,1272 0.825,1273 1.536,1274 4.595,1276 5.883,1277 2.398,1278 7.37,1279 4.595,1280 8.945,1281 6.605,1282 10.57,1284 1.784,1290 4.743,1291 3.438,1292 10.652,1293 1.705,1294 -0.233,1295 3.632,1300 52.318,1301 136.123,1302 312.503,1303 427.618,1304 469.618,1305 488.373,1306 492.373,1307 112.889,1308 8.669,1309 126.32,1310 151.62,1311 29,1312 12.903,1313 4.524,1314 3.807,1315 76.723,1316 270,1317 338,1318 0.131,1319 324.172,1320 579.1,1321 782.741,1322 90543,1324 31.434,1325 0.699,1326 0.581,1327 31.788,1328 26.156,1329 22.046,1330 0.45,1331 0.333,1332 15.119,1333 20.635,1334 14.746,1335 12.139,1336 22.5,1337 16.307,1338 18.684,1339 0.287,1340 0.181,1341 19.235,1342 11.797,1343 15.999,1344 0.186,1345 0.103,1346 16.703,1347 8.889,1348 13.093,1349 0.12,1350 0.06,1351 13.899,1352 6.49,1353 10.136,1354 0.076,1355 0.032,1356 10.755,1357 4.262,1358 0.212,1359 143.47,1360 0.173,1361 40.19,1362 0.344,1363 228,1364 714.097,1365 275.392,1366 693.764,1367 932.11,1368 652,1369 265,1370 652.832,1371 310.575,1372 660.97,1373 966.24,1374 623,1375 6} {0 CHEMBL114424,1 1.642,2 11.281,3 4.623,4 21.368,5 126.297,6 8.539,7 0.514,8 4.11,9 4.184,10 3.949,11 3.763,12 5.219,13 3.702,14 4.646,15 4.764,16 4.28,17 4.171,18 5.967,19 4.084,20 4.908,21 5.039,22 4.447,23 4.382,24 6.072,25 4.276,26 5.095,27 5.258,28 4.466,29 4.413,30 6.276,31 4.282,32 5.044,33 5.229,34 4.31,35 4.366,36 6.109,37 4.223,38 4.978,39 5.177,40 4.19,41 4.271,42 6.012,43 4.125,44 4.988,45 5.212,46 4.16,47 4.214,48 6.004,49 4.066,50 4.889,51 5.085,52 4.192,53 4.112,54 6.091,55 4,56 0.112,57 0.733,58 12.305,59 5.866,60 21.139,61 6.233,62 0.494,63 1.249,64 23.557,65 10.234,66 69.112,67 10.946,68 0.281,69 1.625,70 36.579,71 14.808,72 44.267,73 15.394,74 0.747,75 1.864,76 47.945,77 17.397,78 123.164,79 17.003,80 0.582,81 1.819,82 46.073,83 16.841,84 85.668,85 18.036,86 0.616,87 1.669,88 37.252,89 14.807,90 76.268,91 17.417,92 0.466,93 1.703,94 38.954,95 15.015,96 64.393,97 17.864,98 0.539,99 1.525,100 37.526,101 13.452,102 85.174,103 14.309,104 27,105 50,106 0.268,107 0.569,108 0.731,109 0.841,110 0.876,111 0.882,112 3.503,113 1.078,114 -4.44,115 -4.37,116 -4.12,118 43.6,123 1,124 3,126 1,140 12,141 4,142 2,154 1,163 1,167 1,168 14,169 1,171 3,172 4,175 1,177 1,180 17,181 2,186 13,191 2,194 13,195 2,198 12,203 2,206 11,210 8,211 1,218 11,219 2,221 1,222 5,225 1,227 2,229 9,230 2,233 1,234 10,239 2,242 5,243 2,247 10,248 1,252 2,255 5,256 1,258 3,259 9,262 1,264 1,267 10,270 1860,271 21.377,272 21.377,273 21.377,274 21.377,275 21.377,276 18.815,277 20.287,278 12.505,279 21.886,280 17.236,281 17.236,282 17.236,283 17.236,284 17.236,285 13.281,286 21.38,287 5.855,288 18.069,289 4.14,290 2.291,291 1.298,292 0.625,293 0.414,294 0.377,295 4.196,299 1,300 1,301 778,302 4.301,306 239.487,307 83.52,311 262.5,313 1.406,314 44.269,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 69.5,326 361,327 4.922,328 4.723,329 7.64,330 4.415,331 3.494,332 4.753,333 3.691,334 13.428,335 3.191,336 4.487,337 4.566,338 6.808,339 4.174,340 3.207,341 4.085,342 1.437,343 11.265,344 3.099,345 4.162,346 3.582,347 6.137,348 3.778,349 2.781,350 3.771,351 1.151,352 8.959,353 2.765,354 3.825,355 3.311,356 5.823,357 3.455,358 2.469,359 3.196,360 0.462,361 7.815,362 2.421,363 3.599,364 2.837,365 5.46,366 3.165,367 2.208,368 3.086,369 0.4,370 6.354,371 2.128,372 3.327,373 2.755,374 5.266,375 3.052,376 2.132,377 2.478,379 6.141,380 1.937,381 2.932,382 2.397,383 4.264,384 2.629,385 1.689,386 2.1,388 4.026,389 1.571,390 2.904,391 2.005,392 4.251,393 2.482,394 1.495,395 1.971,397 3.647,398 1.474,399 2.775,400 1.827,401 3.939,402 2.288,403 1.296,404 1.841,406 3.272,407 1.285,408 2.736,409 1.681,410 3.762,411 2.258,412 1.267,413 1.782,415 2.917,416 1.234,417 2.648,418 1.455,419 3.617,420 2.182,421 1.235,422 1.659,424 2.817,425 1.157,426 2.5,427 1.386,428 3.528,429 2,430 1,431 1.5,433 2.483,434 1,435 2.338,436 1.124,437 3.247,438 1.925,439 1,440 1.281,442 2.136,443 0.905,444 1.972,445 1.032,446 3.238,447 1.661,448 0.73,449 0.882,451 1.696,452 0.67,453 1.585,454 1,455 3.143,456 1.335,457 0.421,458 0.475,460 1.038,461 0.377,462 15.733,463 0.492,464 0.883,465 0.028,466 42.5,467 1.328,468 23,469 0.719,470 19.5,471 0.609,472 28.839,473 0.901,474 34.067,475 0.619,476 34.875,477 1.09,478 8.02,479 0.251,480 7.355,481 0.23,482 0.117,483 0.053,484 0.28,487 0.617,488 1.134,489 0.775,490 1.062,491 0.684,492 0.89,493 0.677,494 0.92,495 1.009,496 0.956,497 0.494,498 0.901,499 0.844,500 1.219,501 1.281,502 1.32,503 0.679,504 1.081,505 1.406,506 1,507 1.209,508 1.038,509 1.395,510 1.034,511 0.957,512 1.066,513 1.253,514 1.179,515 0.94,516 1.076,517 0.628,518 1.1,519 0.933,520 1.056,521 0.605,522 1.125,523 0.738,524 1.059,525 0.868,526 0.964,527 0.699,528 0.997,529 1.216,530 0.993,531 1.032,532 0.988,533 1.251,534 0.914,535 6.5,536 0.205,537 4.889,538 2.625,539 1.829,540 1.073,541 0.713,542 0.687,543 0.564,544 0.44,545 13345,546 41524,547 2.056,548 41.8,550 22,553 1,558 1.749,559 1.91,560 3.433,561 -0.341,567 90.284,568 1.642,569 3.49,570 4.483,571 5.157,572 5.368,573 5.404,574 2.749,575 4.601,576 4.974,577 3.609,578 1790.06,579 8.724,580 25839.1,585 317.975,586 1.574,587 4.918,588 0.186,589 0.006,590 0.098,591 0.045,592 0.035,593 0.022,594 0.017,595 0.017,596 0.014,597 0.011,598 0.45,599 0.17,600 0.88,601 0.731,602 166.5,603 0.043,604 -0.074,605 0.162,606 -0.02,607 -0.12,608 0.039,609 0.181,610 0.163,611 -0.005,612 0.08,613 0.224,614 0.031,615 -0.042,616 -0.167,617 -0.113,618 -0.17,619 0.056,620 -0.09,621 -0.232,622 0.008,623 -0.085,624 0.034,625 -0.183,626 -0.064,627 -0.094,628 -0.05,629 -0.122,630 -0.09,631 -0.092,632 -0.062,633 0.123,634 -0.131,635 -0.008,636 -0.1,637 0.028,638 -0.119,639 0.04,640 -0.079,641 0.093,642 -0.007,643 0.015,644 0.023,645 -0.109,646 0.019,647 0.053,648 0.033,649 -0.071,650 0.071,651 4.487,652 5.817,653 0.656,654 28.633,655 1.011,656 1.108,657 3.21,658 10.302,659 0.708,660 3.584,661 3.932,662 4.22,663 4.431,664 4.682,665 4.796,666 4.934,667 5.037,668 5.17,669 5.268,670 6.813,671 0.668,672 469.62,673 3.584,674 5.142,675 6.004,676 6.891,677 7.774,678 8.665,679 9.555,680 10.45,681 11.342,682 12.238,683 1.8,686 1,699 12,704 6,706 18,714 1,722 1,724 55,726 21,727 3,728 35,730 58,731 24,733 18,734 6,735 12,736 1,739 4,740 7,748 1,751 1,753 19,754 5,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 1,775 8,776 2,779 1,784 0.5,785 5,802 3,803 1,807 2,830 1,832 2,833 1,834 2,836 1,840 32,844 1,845 1,846 3,848 1,849 1,850 1,851 1,862 9.1,864 1,865 3,867 1,869 16.75,870 9.983,871 6.972,872 3.071,874 3.212,875 1.405,876 0.972,877 6.796,878 11.139,879 3.871,880 4.483,881 5.016,882 5.497,883 6.023,884 6.202,885 6.551,886 6.781,887 7.166,888 7.498,889 1,890 58,891 12.129,893 5.5,894 7.961,895 22.497,897 18.939,899 2.461,900 78.75,904 258.964,905 188.182,906 1.519,908 123.141,910 38.027,911 150.155,912 382.105,913 1.519,914 8.396,915 7.598,916 119.522,917 113.051,918 32.055,920 291.184,922 258.964,923 151.674,924 123.141,925 38.027,927 258.964,928 123.141,931 9.116,932 142.558,933 5.807,934 32.22,935 258.964,936 124.66,937 188.182,939 5.807,940 258.964,941 60.264,942 123.63,944 123.141,945 258.964,946 124.66,947 188.182,949 0.589,950 0.353,951 0.179,952 0.098,953 24,954 11,955 0.121,956 7,957 2,958 1.19,959 4.143,960 300.521,961 0.19,962 21,963 154,964 1,967 1,968 22.717,969 9.573,970 4.83,972 124.66,973 21.163,978 3.969,980 42.683,981 571.806,982 47,986 -3.571,987 37.187,991 -0.997,994 55.611,995 60.953,996 0.284,997 0.604,998 0.776,999 0.892,1000 0.928,1001 0.935,1002 5.121,1003 1.495,1004 6.023,1005 4.026,1006 4.615,1007 5.17,1008 3.54,1009 6.901,1010 4.524,1011 6.352,1012 1.296,1013 7.638,1014 3.647,1015 4.369,1016 5.182,1017 2.218,1018 8.16,1019 4.211,1020 7.698,1021 1.267,1022 9.374,1023 3.272,1024 6.308,1025 7.448,1026 5.841,1027 11.247,1028 6.116,1029 9.09,1030 1.235,1031 11.188,1032 2.917,1033 6.919,1034 8.313,1035 5.197,1036 13.362,1037 6.638,1038 10.524,1039 1,1040 13.052,1041 2.817,1042 8.368,1043 10.103,1044 8.367,1045 16.056,1046 8.051,1047 11.987,1048 1,1049 14.951,1050 2.483,1051 9.339,1052 11.333,1053 8.083,1054 18.466,1055 8.925,1056 13.474,1057 0.73,1058 16.876,1059 2.136,1060 10.625,1061 12.956,1062 10.926,1063 21.065,1064 10.16,1065 3.494,1066 0.421,1067 18.82,1068 1.696,1069 11.744,1070 14.351,1071 10.89,1072 23.58,1073 11.184,1074 3.207,1075 13.428,1076 20.78,1077 1.038,1078 12.98,1079 15.914,1080 13.492,1081 26.159,1082 12.354,1083 2.781,1084 11.265,1085 22.751,1086 4.753,1087 14.162,1088 17.385,1089 13.647,1090 28.715,1091 13.442,1092 2.469,1093 8.959,1094 24.732,1095 4.085,1096 15.386,1097 18.93,1098 16.062,1099 31.294,1100 14.591,1101 2.208,1102 7.815,1103 26.721,1104 3.771,1105 16.594,1106 20.438,1107 16.372,1108 33.867,1109 15.708,1110 2.132,1111 6.354,1112 28.716,1113 3.196,1114 17.819,1115 21.98,1116 18.636,1117 36.45,1118 16.85,1119 1.689,1120 6.141,1121 30.717,1122 3.086,1123 19.04,1124 23.508,1125 19.075,1126 39.032,1127 17.981,1128 12792,1129 22719,1130 23.057,1131 38.949,1132 53.14,1133 57.073,1134 54.528,1135 52.884,1136 52.851,1137 69.721,1138 14.28,1139 155.987,1140 50.426,1141 5.878,1142 6.723,1143 7.442,1144 5.553,1145 5.494,1146 7.753,1147 7.163,1148 21.244,1149 5.191,1150 16.519,1151 1.518,1152 1.631,1153 1.558,1154 1.511,1155 1.51,1156 1.992,1157 0.408,1158 4.457,1159 1.441,1160 4.091,1161 4.083,1162 4.741,1163 4.074,1164 7.715,1165 4.003,1166 4.026,1167 4.025,1168 4.077,1169 3.985,1170 7.475,1171 3.952,1172 3.822,1173 3.842,1174 3.773,1175 3.765,1176 6.999,1177 3.762,1178 3.689,1179 3.726,1180 3.708,1181 3.593,1182 6.351,1183 3.545,1184 3.413,1185 3.417,1186 3.659,1187 3.389,1188 4.875,1189 3.29,1190 3.335,1191 3.337,1192 3.29,1193 3.12,1194 4.715,1195 3.14,1196 3.162,1197 3.204,1198 3.095,1199 3.01,1200 4.632,1201 2.992,1202 3.099,1203 3.141,1204 2.996,1205 2.904,1206 4.243,1207 2.919,1208 0.141,1209 0.135,1210 0.218,1211 0.126,1212 0.1,1213 4.922,1214 0.136,1215 4.723,1216 0.105,1217 7.64,1218 0.384,1219 4.415,1220 0.091,1221 3.494,1222 4.753,1223 3.691,1224 13.428,1225 3.191,1226 1.967,1227 1.971,1228 2.042,1229 2.035,1230 1.292,1231 2.077,1232 1.954,1233 1.943,1234 1.998,1235 2.012,1236 1.208,1237 2.028,1238 1.87,1239 1.853,1240 1.967,1241 1.968,1242 1.097,1243 1.968,1244 1.624,1245 1.592,1246 1.786,1247 1.803,1248 1.041,1249 1.829,1250 1.339,1251 1.341,1252 1.509,1253 1.507,1254 0.714,1255 1.529,1256 1.219,1257 1.202,1258 1.453,1259 1.448,1260 0.612,1261 1.456,1262 1.149,1263 1.114,1264 1.327,1265 1.34,1266 0.558,1267 1.362,1268 1.043,1269 0.98,1270 1.181,1271 1.298,1272 0.423,1273 1.328,1274 4.263,1276 5.602,1278 7.143,1279 2.708,1280 8.771,1281 5.38,1282 10.445,1284 1.573,1289 9.464,1290 1.239,1292 5.967,1293 1.577,1294 -0.171,1295 1.35,1300 36.764,1301 90.284,1302 191.962,1303 246.591,1304 283.61,1305 295.22,1306 297.22,1307 77.044,1308 7.927,1309 83.91,1310 117.59,1311 25,1312 12.764,1313 4.459,1314 3.7,1315 51.659,1316 127,1317 140,1318 0.191,1319 231.176,1320 407.19,1321 555.831,1322 33073,1324 22.717,1325 0.71,1326 0.597,1327 23.321,1328 19.104,1329 15.375,1330 0.439,1331 0.359,1332 10.182,1333 13.613,1334 9.702,1335 8.004,1336 16.618,1337 12.574,1338 14.179,1339 0.284,1340 0.214,1341 16.097,1342 10.694,1343 12.11,1344 0.181,1345 0.127,1346 14.161,1347 8.533,1348 9.403,1349 0.113,1350 0.076,1351 11.185,1352 6.33,1353 7.773,1354 0.073,1355 0.044,1356 9.441,1357 4.722,1358 0.297,1359 108.378,1360 0.208,1361 29.572,1362 0.532,1363 170,1364 532.458,1365 246.53,1366 549.86,1367 734.98,1368 508,1369 202,1370 482.517,1371 282.135,1372 537.795,1373 789.92,1374 503,1375 5.658} {0 CHEMBL114456,1 1.69,2 12.594,3 4.676,4 21.864,5 125.322,6 8.299,7 0.529,8 4.12,9 4.213,10 3.895,11 3.746,12 5.23,13 3.689,14 4.649,15 4.791,16 4.186,17 4.132,18 5.982,19 4.05,20 4.931,21 5.11,22 4.215,23 4.295,24 6.038,25 4.173,26 5.021,27 5.225,28 4.116,29 4.273,30 6.126,31 4.144,32 5.003,33 5.222,34 4.17,35 4.26,36 6.052,37 4.133,38 5.006,39 5.221,40 4.193,41 4.261,42 6.118,43 4.131,44 5.047,45 5.298,46 4.091,47 4.227,48 6.021,49 4.085,50 4.997,51 5.227,52 4.096,53 4.164,54 6.09,55 4.038,56 0.113,57 0.778,58 12.91,59 5.759,60 22.925,61 6.669,62 0.427,63 1.246,64 21.719,65 9.665,66 80.327,67 11.829,68 0.383,69 1.579,70 36.223,71 13.785,72 73.895,73 16.315,74 0.532,75 1.688,76 40.336,77 14.516,78 99.217,79 17.419,80 0.457,81 1.674,82 37.669,83 13.759,84 83.749,85 17.316,86 0.523,87 1.658,88 38.062,89 14.307,90 88.42,91 18.157,92 0.432,93 1.713,94 39.867,95 14.763,96 83.757,97 19.331,98 0.563,99 1.638,100 42.706,101 13.978,102 100.303,103 16.758,104 40,105 47,106 0.275,107 0.588,108 0.761,109 0.864,110 0.878,111 0.884,112 3.502,113 1.068,114 -4.38,115 -4.31,116 -4.07,118 42.1,119 1,120 3,121 1,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 16,207 2,210 6,215 4,218 15,219 2,222 10,227 6,229 11,230 3,234 10,239 6,242 10,243 2,247 9,252 3,253 1,255 10,256 1,259 7,260 1,262 2,263 1,264 2,267 11,268 1,270 2002,271 20.955,272 20.955,273 20.955,274 20.955,275 20.955,276 18.311,277 21.21,278 12.449,279 21.332,280 16.773,281 16.773,282 16.773,283 16.773,284 16.773,285 12.696,286 23.378,287 5.948,288 17.442,289 4.143,290 2.217,291 1.15,292 0.518,293 0.434,294 0.399,295 4.18,297 1,299 1,300 1,301 842,302 4.472,306 364.063,313 1.744,314 42.567,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 69.333,326 403,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.064,336 4.318,337 3.6,338 6.418,339 4.021,340 3.023,341 3.914,342 0.68,343 9.822,344 3.018,345 3.977,346 3.338,347 5.671,348 3.633,349 2.636,350 3.502,352 7.873,353 2.627,354 3.835,355 2.898,356 5.15,357 3.315,358 2.401,359 3.393,361 6.323,362 2.253,363 3.57,364 2.847,365 5.067,366 3.263,367 2.262,368 2.769,370 6.107,371 2.158,372 3.41,373 2.403,374 5.034,375 3.05,376 2.061,377 2.693,379 5.878,380 2.035,381 3.33,382 2.186,383 4.729,384 2.97,385 1.973,386 2.552,388 4.989,389 1.956,390 3.08,391 1.886,392 4.592,393 2.578,394 1.642,395 2.289,397 4.754,398 1.466,399 2.878,400 1.536,401 3.87,402 2.416,403 1.445,404 2.037,406 3.251,407 1.4,408 2.5,409 1.298,410 3.518,411 2.054,412 1.091,413 1.5,415 2.448,416 1.044,417 2.5,418 1.059,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.258,427 1,428 3.328,429 1.957,430 1,431 1.219,433 2.136,434 0.954,435 1.98,436 1,437 3.247,438 1.693,439 0.701,440 0.864,442 1.734,443 0.694,444 1.777,445 0.747,446 3,447 1.547,448 0.543,449 0.629,451 1.234,452 0.54,453 1.144,454 0.61,455 2.979,456 0.901,457 -0.061,458 -0.07,460 -0.156,461 -0.055,462 15.681,463 0.49,464 0.93,465 0.029,466 41.5,467 1.297,468 22.5,469 0.703,470 19,471 0.594,472 28.597,473 0.894,474 34.719,475 0.609,476 33.666,477 1.052,478 7.94,479 0.248,480 7.302,481 0.228,482 0.162,483 0.053,484 0.255,487 0.578,488 1.189,489 0.729,490 1.102,491 0.685,492 0.919,493 0.478,494 1.042,495 0.774,496 0.953,497 0.452,498 0.974,499 0.906,500 1.112,501 1.107,502 1.14,503 0.875,504 1.098,505 1.049,506 1.081,507 1.058,508 1.08,509 1.073,510 1.092,511 0.822,512 1.008,513 0.664,514 0.872,515 0.859,516 0.999,517 0.584,518 1.115,519 0.788,520 1.081,521 0.601,522 1.093,523 0.676,524 0.973,525 0.66,526 0.857,527 0.687,528 0.913,529 1.093,530 0.964,531 1.014,532 0.986,533 1.023,534 0.93,535 8,536 0.289,537 3.778,538 2.25,539 1.507,540 1.201,541 0.731,542 0.524,543 0.403,544 0.354,545 13856,546 46402,547 1.986,548 43.9,549 6,550 11,552 2,553 2,554 2,555 2,558 1.748,559 1.837,560 3.599,561 0.208,567 96.339,568 1.69,569 3.616,570 4.683,571 5.315,572 5.399,573 5.434,574 3.005,575 4.438,576 4.97,577 3.777,578 1873.2,579 8.714,580 28381.8,585 332.475,586 1.594,587 4.91,588 0.235,589 0.008,590 0.08,591 0.048,592 0.035,593 0.028,594 0.017,595 0.013,596 0.01,597 0.01,598 0.484,599 0.17,600 0.88,601 1.078,602 169.449,603 0.037,604 -0.035,605 0.125,606 -0.017,607 -0.115,608 0.043,609 0.257,610 0.046,611 0.031,612 0.024,613 0.267,614 -0.021,615 -0.103,616 -0.089,617 -0.131,618 -0.095,619 -0.067,620 -0.102,621 -0.143,622 -0.086,623 -0.151,624 -0.092,625 -0.116,626 -0.109,627 -0.054,628 -0.017,629 0.071,630 0.031,631 -0.054,632 -0.021,633 0.139,634 -0.144,635 0.053,636 -0.13,637 0.109,638 -0.09,639 0.036,640 -0.026,641 0.142,642 0.06,643 0.015,644 0.1,645 -0.111,646 0.042,647 -0.022,648 0.021,649 -0.078,650 0.057,651 4.559,652 5.512,653 0.563,654 35.063,655 1.009,656 1.117,657 3.149,658 9.918,659 0.692,660 3.555,661 3.871,662 4.043,663 4.22,664 4.431,665 4.466,666 4.511,667 4.543,668 4.615,669 4.682,670 7.521,671 0.653,672 473.03,673 3.555,674 5.094,675 5.911,676 6.774,677 7.612,678 8.48,679 9.327,680 10.197,681 11.048,682 11.92,683 3.5,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 57,726 21,727 2,728 34,730 59,731 24,733 17,734 5,735 7,739 3,740 3,741 1,745 1,751 3,753 18,754 6,755 1,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,836 1,837 1,840 32,844 1,845 1,846 4,847 1,850 1,861 1,862 7,864 1,865 3,869 17.417,870 10.21,871 7.014,872 3.344,874 2.89,875 1.396,876 0.954,877 8.164,878 10.191,879 3.85,880 4.449,881 4.888,882 5.375,883 5.88,884 6.011,885 6.219,886 6.382,887 6.691,888 6.984,889 1,890 47,891 12.08,893 5.34,894 8.016,895 22.329,897 18.34,899 2.516,900 80.528,904 270.735,905 146.427,906 33.191,907 39.149,908 112.141,910 5.807,911 140.619,912 422.025,913 33.191,914 8.825,915 9.709,916 107.499,917 153.379,918 35.888,920 247.193,921 39.149,922 270.735,923 173.81,924 112.141,925 44.956,927 247.193,928 135.683,931 53.034,932 103.99,933 61.742,935 270.735,936 145.332,937 185.575,939 5.807,940 270.735,941 28.413,942 112.206,943 16.405,944 168.075,945 270.735,946 145.332,947 185.575,949 0.583,950 0.317,951 0.155,952 0.089,953 20,954 10,955 0.169,956 10,958 1,959 4.26,960 276.016,962 18,963 154,967 1,968 24.091,969 10.844,970 6.972,972 145.332,973 19.415,974 4.184,978 4.572,980 59.088,981 601.642,982 46,986 -3.643,987 36.066,991 -0.854,994 57.516,995 63.681,996 0.29,997 0.62,998 0.803,999 0.911,1000 0.926,1001 0.932,1002 5.078,1003 1.642,1004 5.922,1005 4.989,1006 4.554,1007 5.136,1008 2.35,1009 6.725,1010 4.481,1011 6.308,1012 1.445,1013 7.488,1014 4.754,1015 4.29,1016 5.147,1017 2.243,1018 7.865,1019 4.126,1020 7.641,1021 1.091,1022 9.17,1023 3.251,1024 6.188,1025 7.39,1026 3.64,1027 10.863,1028 6.032,1029 9.015,1030 1,1031 10.924,1032 2.448,1033 6.723,1034 8.204,1035 4.112,1036 12.868,1037 6.458,1038 10.425,1039 1,1040 12.73,1041 2.275,1042 8.153,1043 9.995,1044 5.203,1045 15.489,1046 7.882,1047 11.862,1048 0.701,1049 14.573,1050 2.136,1051 9.046,1052 11.179,1053 5.889,1054 17.816,1055 8.665,1056 13.321,1057 0.543,1058 16.446,1059 1.734,1060 10.309,1061 12.805,1062 6.849,1063 20.343,1064 9.898,1065 3.374,1066 -0.061,1067 18.34,1068 1.234,1069 11.368,1070 14.169,1071 7.625,1072 22.785,1073 10.852,1074 3.023,1075 12.404,1076 20.253,1077 -0.156,1078 12.575,1079 15.733,1080 8.526,1081 25.292,1082 12.006,1083 2.636,1084 9.822,1085 22.179,1086 4.697,1087 13.708,1088 17.186,1089 9.342,1090 27.776,1091 13.041,1092 2.401,1093 7.873,1094 24.116,1095 3.914,1096 14.9,1097 18.728,1098 10.216,1099 30.282,1100 14.164,1101 2.262,1102 6.323,1103 26.062,1104 3.502,1105 16.068,1106 20.225,1107 11.051,1108 32.783,1109 15.237,1110 2.061,1111 6.107,1112 28.015,1113 3.393,1114 17.26,1115 21.762,1116 11.912,1117 35.292,1118 16.35,1119 1.973,1120 5.878,1121 29.974,1122 2.769,1123 18.445,1124 23.281,1125 12.755,1126 37.801,1127 17.441,1128 13634,1129 25159,1130 21.959,1131 39.472,1132 50.631,1133 52.117,1134 51.683,1135 50.563,1136 50.302,1137 67.118,1138 6.042,1139 142.459,1140 48.418,1141 5.749,1142 6.683,1143 7.095,1144 5.34,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.064,1150 18.628,1151 1.489,1152 1.533,1153 1.52,1154 1.487,1155 1.479,1156 1.974,1157 0.178,1158 4.19,1159 1.424,1160 4.088,1161 4.086,1162 4.736,1163 4.07,1164 7.717,1165 3.998,1166 4.001,1167 4.007,1168 3.961,1169 3.958,1170 7.474,1171 3.934,1172 3.832,1173 3.871,1174 3.924,1175 3.743,1176 6.999,1177 3.743,1178 3.666,1179 3.686,1180 3.763,1181 3.583,1182 6.351,1183 3.521,1184 3.58,1185 3.6,1186 3.498,1187 3.416,1188 4.932,1189 3.416,1190 3.397,1191 3.443,1192 3.285,1193 3.279,1194 4.901,1195 3.255,1196 3.257,1197 3.298,1198 3.166,1199 3.082,1200 4.686,1201 3.076,1202 2.971,1203 3.015,1204 3.114,1205 2.746,1206 4.267,1207 2.756,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.069,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.064,1226 2.007,1227 1.987,1228 2.115,1229 2.084,1230 1.356,1231 2.101,1232 1.949,1233 1.955,1234 1.96,1235 2.011,1236 1.185,1237 2.049,1238 1.82,1239 1.785,1240 1.948,1241 1.936,1242 1.133,1243 1.944,1244 1.588,1245 1.557,1246 1.797,1247 1.778,1248 1.069,1249 1.791,1250 1.504,1251 1.481,1252 1.71,1253 1.691,1254 0.824,1255 1.704,1256 1.365,1257 1.335,1258 1.558,1259 1.543,1260 0.694,1261 1.579,1262 1.205,1263 1.168,1264 1.181,1265 1.396,1266 0.512,1267 1.429,1268 0.897,1269 0.855,1270 1.179,1271 1.192,1272 0.274,1273 1.18,1274 4.234,1276 5.549,1278 7.047,1280 8.625,1282 10.247,1284 2.07,1285 5.835,1289 9.064,1290 1.133,1291 2.618,1294 0.068,1300 37.238,1301 96.339,1302 206.117,1303 266.926,1304 302.965,1305 307.72,1306 309.72,1307 89.615,1308 7.3,1309 96.36,1310 104.74,1311 18,1312 12.466,1313 4.459,1314 3.7,1315 60.997,1316 141,1317 156,1318 0.202,1319 238.57,1320 418.46,1321 573.87,1322 14493,1323 1.8,1324 23.14,1325 0.723,1326 0.601,1327 23.89,1328 19.234,1329 15.242,1330 0.448,1331 0.356,1332 10.308,1333 13.745,1334 9.878,1335 8.186,1336 16.352,1337 12.102,1338 14.265,1339 0.304,1340 0.208,1341 15.997,1342 9.79,1343 10.783,1344 0.193,1345 0.124,1346 12.179,1347 6.945,1348 8.223,1349 0.123,1350 0.069,1351 9.245,1352 4.59,1353 6.622,1354 0.08,1355 0.041,1356 7.58,1357 3.386,1358 0.32,1359 105.92,1360 0.213,1361 30.136,1362 0.547,1363 162,1364 506.398,1365 225.911,1366 542.157,1367 706.04,1368 496,1369 184,1370 447.182,1371 246.974,1372 501.547,1373 718.03,1374 469,1375 7.42} {0 CHEMBL114672,1 1.504,2 7.652,3 2.985,4 8.911,5 89.332,6 7.078,7 0.6,8 3.872,9 3.996,10 3.394,11 3.391,12 4.966,13 3.366,14 4.408,15 4.598,16 3.746,17 3.793,18 5.501,19 3.742,20 4.633,21 4.844,22 3.738,23 3.936,24 5.555,25 3.843,26 4.759,27 4.988,28 3.823,29 4.045,30 5.641,31 3.942,32 4.817,33 5.025,34 3.875,35 4.142,36 5.704,37 4.022,38 5.022,39 5.288,40 3.906,41 4.164,42 5.941,43 4.034,44 4.97,45 5.244,46 3.647,47 3.978,48 6,49 3.817,50 4.717,51 5.016,52 2.955,53 3.43,54 5.814,55 3.242,56 0.025,57 0.645,58 9.561,59 3.959,60 8.633,61 5.418,62 0.243,63 1.044,64 17.71,65 6.396,66 37.78,67 9.191,68 0.201,69 1.222,70 22.744,71 8.414,72 31.632,73 11.952,74 0.383,75 1.381,76 26.246,77 9.428,78 33.09,79 13.614,80 0.091,81 1.486,82 26.579,83 10.981,84 16.697,85 15.577,86 0.282,87 1.662,88 35.159,89 12.463,90 41.501,91 18.272,92 0.278,93 1.451,94 34.24,95 11.782,96 63.406,97 17.091,98 0.693,99 0.965,100 29.17,101 7.59,102 103.297,103 10.967,104 23,105 35,106 0.261,107 0.632,108 0.814,109 0.846,110 0.854,111 0.854,112 3.19,113 0.942,114 -3.45,115 -3.43,116 -3.28,118 40.9,119 2,120 1,121 1,124 2,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 7,175 1,177 1,180 7,186 5,187 1,194 7,197 2,198 4,201 1,206 9,210 5,218 10,219 4,221 1,222 8,227 4,229 5,230 4,234 8,235 1,239 4,243 1,246 1,247 3,250 1,252 1,260 1,270 697,271 15.397,272 15.397,273 15.397,274 15.397,275 15.397,276 13.415,277 15.887,278 9.214,279 15.672,280 12.366,281 12.366,282 12.366,283 12.366,284 12.366,285 9.335,286 18.136,287 4.377,288 12.819,289 3.956,290 1.813,291 0.762,292 0.58,293 0.534,294 0.534,295 3.866,298 1,299 1,300 1,301 370,302 3.464,305 101.579,306 59.391,309 90.43,313 1.289,314 17.925,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 49.5,326 176,327 4.778,328 3.608,329 7.131,330 4.348,331 3.38,332 4.727,333 2.341,334 12.443,335 3.277,336 3.933,337 3.517,338 5.957,339 3.478,340 2.556,341 3.491,342 0.522,343 8.045,344 2.414,345 3.745,346 2.719,347 5.759,348 3.421,349 2.431,350 3.15,352 7.724,353 2.352,354 3.575,355 2.591,356 5.291,357 3.246,358 2.256,359 2.86,361 6.581,362 2.21,363 3.425,364 2.224,365 4.67,366 2.984,367 2.017,368 2.668,370 5.135,371 1.937,372 2.973,373 1.798,374 4.439,375 2.645,376 1.657,377 2.135,379 4.001,380 1.634,381 2.659,382 1.333,383 3.799,384 2.233,385 1.263,386 1.715,388 2.838,389 1.224,390 2.512,391 1.271,392 3.603,393 2.125,394 1.163,395 1.51,397 2.76,398 1.115,399 2.351,400 1.075,401 3.432,402 1.93,403 0.958,404 1.296,406 2.308,407 0.928,408 2.118,409 0.869,410 3.083,411 1.554,412 0.618,413 0.927,415 1.372,416 0.577,417 1.726,418 0.618,419 3,420 1.473,421 0.491,422 0.573,424 1.149,425 0.477,426 1.116,427 0.428,428 2.696,429 0.821,430 -0.142,431 -0.169,433 -0.388,434 -0.136,435 0.786,436 0.105,437 2.386,438 0.4,439 -0.585,440 -0.721,442 -1.536,443 -0.567,444 0.623,445 -0.321,446 2.284,447 0.152,448 -0.828,449 -1,451 -2,452 -0.801,453 0.448,454 -0.715,455 2,456 0.001,457 -1,458 -1.122,460 -2,461 -0.952,462 10.867,463 0.472,464 0.597,465 0.026,466 28.5,467 1.239,468 13.5,469 0.587,470 15,471 0.652,472 19.794,473 0.861,474 25.133,475 0.571,476 19.917,477 0.866,478 5.556,479 0.242,480 5.519,481 0.24,482 0.153,484 0.35,487 0.82,488 1.459,489 0.836,490 1.154,491 0.711,492 1.022,493 0.664,494 1.046,495 0.852,496 0.914,497 0.384,498 0.894,499 0.943,500 1.111,501 1.031,502 1.038,503 0.886,504 1.045,505 0.767,506 0.86,507 1.013,508 0.895,509 0.65,510 0.968,511 0.516,512 1.315,513 1.05,514 1.335,515 0.411,516 1.281,517 0.691,518 0.969,519 0.892,520 1.017,521 0.592,522 0.982,523 0.95,524 1.108,525 1.004,526 1.172,527 1.017,528 1.112,529 2.111,530 0.635,531 1.3,532 0.701,533 2.519,534 0.872,535 4,536 0.04,537 2.222,538 2.333,539 1.352,540 1.014,541 0.814,542 0.232,543 0.131,544 0.055,545 4763,546 13063,547 2.041,548 47.7,549 6,550 8,551 1,552 2,553 1,554 3,558 1.668,559 1.89,560 2.911,561 -0.326,562 1,563 1,565 1,567 66.163,568 1.504,569 3.647,570 4.698,571 4.88,572 4.925,573 4.925,574 2.442,575 4.089,576 4.49,577 3.085,578 780.57,579 7.793,580 8720.03,582 1,584 1,585 240.215,586 1.478,587 4.443,588 0.16,589 0.01,590 0.063,591 0.069,592 0.037,593 0.027,594 0.021,595 0.009,596 0.013,597 0.009,598 0.418,599 0.33,600 1,601 1.335,602 104.741,603 -0.044,604 -0.252,605 0.047,606 -0.065,607 -0.058,608 -0.012,609 0.138,610 0.105,611 0.075,612 0.096,613 0.215,614 0.084,615 -0.123,616 -0.057,617 -0.097,618 -0.02,619 -0.125,620 -0.051,621 0.007,622 0.203,623 -0.073,624 0.1,625 -0.038,626 0.017,627 0.002,628 -0.268,629 -0.161,630 -0.277,631 0.025,632 -0.249,633 0.039,634 -0.009,635 0.066,636 -0.037,637 0.058,638 0.015,639 0.004,640 -0.225,641 -0.014,642 -0.204,643 0.031,644 -0.124,645 -0.263,646 0.162,647 -0.174,648 0.15,649 -0.371,650 0.016,651 2.436,652 4.027,653 0.609,654 18.144,655 0.998,656 1.128,657 2.221,658 4.932,659 0.654,660 3.258,661 3.584,662 3.871,663 4.22,664 4.431,665 4.585,666 4.7,667 4.718,668 4.625,669 4.454,670 4.943,671 0.619,672 311.42,673 3.258,674 4.796,675 5.652,676 6.553,677 7.446,678 8.361,679 9.271,680 10.194,681 11.112,682 12.037,683 6.8,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,724 44,726 16,727 1,728 25,730 46,731 18,733 11,734 2,735 4,739 3,740 4,745 2,751 1,753 12,754 6,755 1,756 1,761 1,765 1,768 1,769 1,772 21,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,836 2,840 23,845 1,846 3,850 1,862 4.5,864 1,865 1,869 12.167,870 8.383,871 5.083,872 2.707,874 2.831,875 1.41,876 0.953,877 4.531,878 9.731,879 3.541,880 4.167,881 4.785,882 5.452,883 5.925,884 6.329,885 6.763,886 7.139,887 7.255,888 7.397,889 1,890 34,891 8.492,893 3.556,894 7.768,895 16.33,897 13.398,899 2.268,900 52.167,903 1,904 235.422,905 100.584,906 20.584,908 67.828,911 100.584,912 303.25,913 20.584,914 17.65,915 6.746,916 46.952,917 117.684,918 18.604,919 16.672,920 200.109,922 235.422,923 121.168,924 67.828,927 235.422,928 67.828,931 45.861,932 58.522,933 16.786,935 235.422,936 88.412,937 100.584,940 235.422,941 18.315,942 86.067,944 84.614,945 235.422,946 88.412,947 100.584,949 0.576,950 0.326,951 0.194,952 0.112,953 17,954 8,955 0.13,956 6,957 1,958 1.143,959 3.388,960 188.913,961 0.143,962 14,963 102.042,968 15.816,969 6.589,970 3.176,971 2.294,972 84.614,973 13.765,974 4.118,978 2.458,979 4.218,980 42.683,981 424.418,982 33.5,987 11.027,991 -0.77,994 43.912,995 49.651,996 0.275,997 0.668,998 0.861,999 0.894,1000 0.902,1001 0.902,1002 4.769,1003 1.163,1004 5.645,1005 2.838,1006 4.263,1007 4.852,1008 2.313,1009 6.5,1010 4.194,1011 5.988,1012 0.958,1013 7.225,1014 2.76,1015 3.892,1016 4.732,1017 2.243,1018 7.532,1019 3.791,1020 7.306,1021 0.618,1022 8.914,1023 2.308,1024 5.872,1025 7.117,1026 3.632,1027 10.705,1028 5.735,1029 8.669,1030 0.491,1031 10.672,1032 1.372,1033 6.365,1034 7.91,1035 4.112,1036 12.653,1037 6.193,1038 10.071,1039 -0.142,1040 12.475,1041 1.149,1042 7.829,1043 9.758,1044 5.202,1045 15.369,1046 7.628,1047 11.503,1048 -0.585,1049 14.312,1050 -0.388,1051 8.724,1052 10.979,1053 5.889,1054 17.681,1055 8.49,1056 12.959,1057 -0.828,1058 16.174,1059 -1.536,1060 10.007,1061 12.631,1062 6.849,1063 20.26,1064 9.746,1065 3.38,1066 -1,1067 18.056,1068 -2,1069 11.085,1070 14.045,1071 7.625,1072 22.708,1073 10.793,1074 2.556,1075 12.443,1076 19.953,1077 -2,1078 12.312,1079 15.628,1080 8.526,1081 25.246,1082 11.992,1083 2.431,1084 8.045,1085 21.862,1086 4.727,1087 13.469,1088 17.124,1089 9.342,1090 27.741,1091 13.119,1092 2.256,1093 7.724,1094 23.781,1095 3.491,1096 14.682,1097 18.684,1098 10.216,1099 30.267,1100 14.304,1101 2.017,1102 6.581,1103 25.708,1104 3.15,1105 15.873,1106 20.213,1107 11.051,1108 32.779,1109 15.465,1110 1.657,1111 5.135,1112 27.642,1113 2.86,1114 17.085,1115 21.767,1116 11.912,1117 35.302,1118 16.647,1119 1.263,1120 4.001,1121 29.581,1122 2.668,1123 18.29,1124 23.31,1125 12.755,1126 37.819,1127 17.823,1128 4775,1129 7989,1130 16.414,1131 28.779,1132 38.112,1133 38.247,1134 38.724,1135 37.58,1136 37.58,1137 50.102,1138 5.725,1139 108.714,1140 36.288,1141 5.604,1142 5.608,1143 6.809,1144 5.407,1145 5.38,1146 7.727,1147 3.925,1148 19.844,1149 5.277,1150 11.786,1151 1.524,1152 1.53,1153 1.549,1154 1.503,1155 1.503,1156 2.004,1157 0.229,1158 4.349,1159 1.452,1160 4.177,1161 4.212,1162 4.141,1163 4.087,1164 7.474,1165 4.096,1166 3.877,1167 3.944,1168 3.82,1169 3.67,1170 6.351,1171 3.699,1172 3.644,1173 3.691,1174 3.538,1175 3.524,1176 4.979,1177 3.516,1178 3.578,1179 3.624,1180 3.452,1181 3.398,1182 4.87,1183 3.403,1184 3.283,1185 3.34,1186 3.139,1187 3.142,1188 4.324,1189 3.132,1190 3.099,1191 3.149,1192 2.989,1193 2.876,1194 4.018,1195 2.896,1196 2.874,1197 3.009,1198 2.627,1199 2.619,1200 3.867,1201 2.612,1202 2.799,1203 2.867,1204 2.575,1205 2.618,1206 3.587,1207 2.57,1208 0.191,1209 0.144,1210 0.285,1211 0.174,1212 0.135,1213 4.778,1214 0.189,1215 3.608,1216 0.094,1217 7.131,1218 0.498,1219 4.348,1220 0.131,1221 3.38,1222 4.727,1223 2.341,1224 12.443,1225 3.277,1226 1.947,1227 1.922,1228 2.042,1229 2.04,1230 1.261,1231 2.041,1232 1.813,1233 1.764,1234 1.986,1235 1.971,1236 1.22,1237 1.976,1238 1.539,1239 1.491,1240 1.794,1241 1.761,1242 1.022,1243 1.768,1244 1.535,1245 1.464,1246 1.726,1247 1.75,1248 0.899,1249 1.752,1250 1.303,1251 1.238,1252 1.485,1253 1.526,1254 0.509,1255 1.516,1256 1.153,1257 1.097,1258 1.417,1259 1.419,1260 0.469,1261 1.387,1262 1.018,1263 0.976,1264 1.326,1265 1.239,1266 0.385,1267 1.308,1268 0.934,1269 0.804,1270 1.205,1271 1.217,1272 0.285,1273 1.223,1274 3.932,1276 5.252,1277 3.045,1278 6.758,1279 5.416,1280 8.363,1281 7.554,1282 10.032,1284 4.311,1289 9.065,1290 1.365,1294 0.315,1300 27.235,1301 66.163,1302 160.458,1303 206.705,1304 214.705,1305 216.705,1306 216.705,1307 36.211,1308 6.901,1309 60.05,1310 60.05,1311 16,1312 12.544,1313 4.087,1314 3.248,1315 36.347,1316 67,1317 68,1318 0.276,1319 169.136,1320 282.28,1321 404.452,1322 7540,1324 16.397,1325 0.713,1326 0.584,1327 16.397,1328 13.437,1329 11.075,1330 0.443,1331 0.314,1332 7.752,1333 10.662,1334 7.501,1335 6.258,1336 11.075,1337 7.851,1338 10.119,1339 0.289,1340 0.173,1341 10.119,1342 6.066,1343 7.891,1344 0.168,1345 0.088,1346 7.891,1347 4.116,1348 7.024,1349 0.105,1350 0.048,1351 7.024,1352 3.232,1353 5.522,1354 0.067,1355 0.027,1356 5.522,1357 2.235,1358 0.41,1359 69.257,1360 0.247,1361 21.947,1362 0.839,1363 120,1364 332.821,1365 130.7,1366 323.576,1367 441.28,1368 302,1369 142,1370 325.117,1371 152.512,1372 329.931,1373 480.43,1374 310,1375 8.086} {0 CHEMBL114723,1 1.523,2 7.652,3 2.614,4 6.831,5 87.53,6 7.367,7 0.577,8 3.853,9 3.969,10 3.422,11 3.399,12 4.93,13 3.382,14 4.375,15 4.552,16 3.725,17 3.774,18 5.47,19 3.724,20 4.575,21 4.79,22 3.723,23 3.881,24 5.487,25 3.8,26 4.65,27 4.852,28 3.814,29 4,30 5.557,31 3.911,32 4.754,33 4.959,34 3.861,35 4.092,36 5.62,37 3.984,38 4.918,39 5.17,40 3.891,41 4.101,42 5.839,43 3.988,44 4.849,45 5.11,46 3.624,47 3.88,48 5.87,49 3.744,50 4.561,51 4.85,52 2.909,53 3.325,54 5.666,55 3.151,56 0.021,57 0.628,58 8.722,59 3.804,60 7.678,61 5.005,62 0.227,63 1.018,64 16.259,65 6.106,66 35.738,67 8.477,68 0.211,69 1.155,70 21.222,71 7.843,72 31.442,73 10.893,74 0.337,75 1.279,76 22.35,77 8.492,78 28.77,79 11.757,80 0.087,81 1.403,82 24.273,83 10.206,84 15.209,85 14.224,86 0.242,87 1.544,88 31.162,89 11.449,90 35.412,91 16.328,92 0.256,93 1.33,94 30.229,95 10.534,96 53.744,97 14.854,98 0.593,99 0.882,100 25.144,101 6.927,102 84.975,103 9.626,104 8,105 37,106 0.265,107 0.65,108 0.831,109 0.865,110 0.873,111 0.873,112 3.19,113 0.925,114 -3.45,115 -3.43,116 -3.28,118 42.9,120 3,121 1,124 2,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 7,175 1,177 1,180 6,186 5,187 1,194 7,197 2,198 4,201 1,206 9,210 5,218 10,219 4,221 1,222 8,227 4,229 5,230 4,234 8,235 1,239 4,243 1,246 1,247 3,250 1,252 1,260 1,270 695,271 15.845,272 15.845,273 15.845,274 15.845,275 15.845,276 13.863,277 15.887,278 9.451,279 16.12,280 12.886,281 12.886,282 12.886,283 12.886,284 12.886,285 9.869,286 18.136,287 4.525,288 13.337,289 3.87,290 1.66,291 0.619,292 0.429,293 0.381,294 0.381,295 3.875,298 1,299 1,300 1,301 384,302 3.082,303 29.262,305 100.357,306 58.657,309 88.921,313 1.289,314 17.769,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 49.5,326 176,327 4.788,328 3.613,329 7.156,330 4.375,331 3.405,332 4.729,333 2.341,334 12.569,335 3.307,336 3.934,337 3.545,338 6.11,339 3.664,340 2.669,341 3.491,342 0.522,343 8.766,344 2.655,345 3.871,346 2.809,347 5.759,348 3.477,349 2.556,350 3.216,352 7.736,353 2.358,354 3.581,355 2.699,356 5.313,357 3.254,358 2.265,359 2.861,361 6.629,362 2.219,363 3.425,364 2.227,365 5.043,366 2.985,367 2.017,368 2.67,370 5.617,371 1.939,372 3.209,373 1.976,374 4.639,375 2.883,376 1.899,377 2.363,379 5.067,380 1.86,381 2.755,382 1.335,383 3.8,384 2.298,385 1.306,386 1.855,388 2.93,389 1.294,390 2.622,391 1.292,392 3.713,393 2.154,394 1.214,395 1.668,397 2.81,398 1.14,399 2.381,400 1.233,401 3.532,402 1.976,403 1,404 1.331,406 2.43,407 0.971,408 2.118,409 0.887,410 3.264,411 1.56,412 0.618,413 0.927,415 1.422,416 0.577,417 1.798,418 0.618,419 3,420 1.551,421 0.577,422 0.67,424 1.372,425 0.561,426 1.236,427 0.588,428 2.767,429 1.002,430 0.022,431 0.025,433 0.057,434 0.021,435 0.855,436 0.229,437 2.549,438 0.529,439 -0.44,440 -0.531,442 -1.155,443 -0.424,444 0.623,445 -0.259,446 2.297,447 0.239,448 -0.748,449 -0.877,451 -1.94,452 -0.724,453 0.515,454 -0.483,455 2.226,456 0.134,457 -0.855,458 -1,460 -2,461 -0.842,462 10.867,463 0.472,464 0.521,465 0.023,466 29,467 1.261,468 13.5,469 0.587,470 15.5,471 0.674,472 18.33,473 0.797,474 24.533,475 0.584,476 19.338,477 0.841,478 5.556,479 0.242,480 5.681,481 0.247,482 0.061,484 0.35,487 0.806,488 1.382,489 0.782,490 1.077,491 0.66,492 0.951,493 0.675,494 1.108,495 0.935,496 1,497 0.383,498 0.989,499 0.957,500 1.009,501 0.957,502 0.917,503 0.89,504 0.932,505 0.782,506 0.908,507 1.066,508 0.954,509 0.696,510 1.032,511 0.522,512 1.255,513 1.009,514 1.271,515 0.403,516 1.223,517 0.701,518 0.978,519 0.891,520 1.03,521 0.614,522 0.989,523 1.037,524 1.1,525 1.016,526 1.161,527 1.145,528 1.101,529 1.971,530 0.684,531 1.304,532 0.762,533 2.359,534 0.921,535 3.5,536 0.04,537 1.833,538 1.889,539 1.032,540 0.841,541 0.595,542 0.232,543 0.131,544 0.055,545 5205,546 13825,547 2.168,548 45.2,549 4,550 8,551 1,552 2,553 1,554 3,558 1.668,559 2.06,560 2.911,561 -0.326,562 1,563 1,565 1,567 63.953,568 1.523,569 3.733,570 4.773,571 4.964,572 5.011,573 5.011,574 2.442,575 4.089,576 4.49,577 3.087,578 781.006,579 7.791,580 8710.46,581 1,582 1,584 1,585 226.477,586 1.302,587 4.469,588 0.135,589 0.01,590 0.054,591 0.056,592 0.028,593 0.022,594 0.016,595 0.009,596 0.013,597 0.009,598 0.351,599 0.33,600 1,601 1.093,602 104.722,603 -0.052,604 -0.216,605 0.056,606 -0.035,607 -0.024,608 0.012,609 0.114,610 0.026,611 -0.038,612 -0.018,613 0.205,614 -0.042,615 -0.119,616 0.014,617 -0.018,618 0.076,619 -0.115,620 0.048,621 -0.006,622 0.163,623 -0.153,624 0.038,625 -0.063,626 -0.063,627 0.008,628 -0.238,629 -0.124,630 -0.24,631 0.036,632 -0.209,633 0.042,634 -0.019,635 0.073,636 -0.044,637 0.058,638 0.014,639 -0.015,640 -0.213,641 -0.002,642 -0.19,643 -0.024,644 -0.107,645 -0.221,646 0.14,647 -0.162,648 0.131,649 -0.326,650 0.008,651 2.416,652 4.043,653 0.739,654 18.053,655 1.001,656 1.125,657 2.221,658 4.932,659 0.667,660 3.296,661 3.638,662 3.912,663 4.277,664 4.522,665 4.7,666 4.852,667 4.883,668 4.771,669 4.644,670 4.942,671 0.636,672 309.4,673 3.296,674 4.844,675 5.72,676 6.629,677 7.538,678 8.464,679 9.389,680 10.322,681 11.255,682 12.193,683 7.1,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,724 42,726 16,727 1,728 26,730 45,731 18,733 11,734 2,735 4,739 4,740 5,748 2,749 1,751 3,753 12,754 6,755 1,756 1,761 1,765 1,768 1,769 1,772 19,773 3,774 1,775 5,778 1,779 3,784 0.75,785 2,797 1,799 1,801 2,802 1,805 1,818 1,830 1,832 3,840 23,845 1,846 5,850 1,862 4.8,864 1,865 1,869 11.167,870 7.383,871 5,872 2.624,874 2.832,875 1.402,876 0.995,877 3.698,878 9.874,879 3.57,880 4.197,881 4.802,882 5.477,883 5.964,884 6.386,885 6.844,886 7.218,887 7.344,888 7.517,889 1,890 34,891 8.515,893 3.699,894 7.725,895 16.549,897 14.254,899 2.225,900 51.167,903 1,904 211.88,905 88.003,906 20.584,908 67.828,911 88.003,912 279.708,913 20.584,915 11.815,916 46.952,917 117.684,918 18.604,919 16.672,920 176.567,922 211.88,923 108.586,924 67.828,927 211.88,928 67.828,931 33.279,932 58.522,933 16.786,935 211.88,936 88.412,937 88.003,940 211.88,941 23.384,942 68.417,944 84.614,945 211.88,946 88.412,947 88.003,949 0.578,950 0.313,951 0.187,952 0.107,953 20,954 8,955 0.133,956 6,957 1,958 1.118,959 3.533,960 195.856,961 0.118,962 17,963 102.042,968 14.522,969 5.856,970 2.911,971 2.374,972 84.614,973 13.918,974 4.133,978 2.632,979 4.308,980 42.683,981 388.295,982 34.5,987 11.043,991 -0.749,994 42.029,995 47.235,996 0.282,997 0.692,998 0.885,999 0.921,1000 0.929,1001 0.929,1002 4.81,1003 1.214,1004 5.707,1005 2.93,1006 4.317,1007 4.883,1008 2.313,1009 6.572,1010 4.252,1011 6.035,1012 1,1013 7.291,1014 2.81,1015 4.007,1016 4.783,1017 2.243,1018 7.647,1019 3.918,1020 7.359,1021 0.618,1022 8.984,1023 2.43,1024 5.958,1025 7.143,1026 3.632,1027 10.796,1028 5.833,1029 8.725,1030 0.577,1031 10.745,1032 1.422,1033 6.479,1034 7.935,1035 4.112,1036 12.753,1037 6.327,1038 10.127,1039 0.022,1040 12.551,1041 1.372,1042 7.935,1043 9.776,1044 5.202,1045 15.468,1046 7.755,1047 11.558,1048 -0.44,1049 14.389,1050 0.057,1051 8.838,1052 10.994,1053 5.889,1054 17.781,1055 8.63,1056 13.013,1057 -0.748,1058 16.252,1059 -1.155,1060 10.12,1061 12.642,1062 6.849,1063 20.365,1064 9.886,1065 3.405,1066 -0.855,1067 18.133,1068 -1.94,1069 11.2,1070 14.055,1071 7.625,1072 22.815,1073 10.937,1074 2.669,1075 12.569,1076 20.03,1077 -2,1078 12.428,1079 15.637,1080 8.526,1081 25.36,1082 12.138,1083 2.556,1084 8.766,1085 21.939,1086 4.729,1087 13.586,1088 17.132,1089 9.342,1090 27.861,1091 13.268,1092 2.265,1093 7.736,1094 23.858,1095 3.491,1096 14.801,1097 18.692,1098 10.216,1099 30.395,1100 14.455,1101 2.017,1102 6.629,1103 25.785,1104 3.216,1105 15.994,1106 20.222,1107 11.051,1108 32.915,1109 15.619,1110 1.899,1111 5.617,1112 27.72,1113 2.861,1114 17.209,1115 21.776,1116 11.912,1117 35.446,1118 16.805,1119 1.306,1120 5.067,1121 29.66,1122 2.67,1123 18.418,1124 23.319,1125 12.755,1126 37.973,1127 17.985,1128 4991,1129 8205,1130 17.8,1131 28.017,1132 39.772,1133 40.012,1134 40.041,1135 39.094,1136 39.097,1137 51.615,1138 5.725,1139 114.811,1140 37.805,1141 5.69,1142 5.613,1143 6.835,1144 5.434,1145 5.405,1146 7.729,1147 3.925,1148 20.13,1149 5.307,1150 8.619,1151 1.53,1152 1.539,1153 1.54,1154 1.504,1155 1.504,1156 1.985,1157 0.22,1158 4.416,1159 1.454,1160 4.195,1161 4.23,1162 4.156,1163 4.106,1164 7.474,1165 4.114,1166 3.879,1167 3.947,1168 3.821,1169 3.718,1170 6.351,1171 3.704,1172 3.802,1173 3.85,1174 3.683,1175 3.668,1176 4.979,1177 3.698,1178 3.616,1179 3.65,1180 3.517,1181 3.428,1182 4.871,1183 3.438,1184 3.326,1185 3.37,1186 3.231,1187 3.197,1188 4.348,1189 3.197,1190 3.099,1191 3.149,1192 2.989,1193 2.878,1194 4.05,1195 2.898,1196 2.799,1197 2.867,1198 2.627,1199 2.619,1200 3.868,1201 2.612,1202 2.751,1203 2.821,1204 2.576,1205 2.498,1206 3.587,1207 2.515,1208 0.184,1209 0.139,1210 0.275,1211 0.168,1212 0.131,1213 4.788,1214 0.182,1215 3.613,1216 0.09,1217 7.156,1218 0.483,1219 4.375,1220 0.127,1221 3.405,1222 4.729,1223 2.341,1224 12.569,1225 3.307,1226 1.947,1227 1.922,1228 2.042,1229 2.038,1230 1.22,1231 2.04,1232 1.746,1233 1.699,1234 1.887,1235 1.926,1236 1.197,1237 1.917,1238 1.538,1239 1.485,1240 1.735,1241 1.759,1242 0.936,1243 1.752,1244 1.364,1245 1.32,1246 1.538,1247 1.563,1248 0.825,1249 1.548,1250 1.279,1251 1.21,1252 1.513,1253 1.523,1254 0.809,1255 1.505,1256 1.153,1257 1.064,1258 1.456,1259 1.376,1260 0.469,1261 1.429,1262 1.018,1263 0.976,1264 1.221,1265 1.259,1266 0.348,1267 1.244,1268 0.939,1269 0.874,1270 1.204,1271 1.136,1272 0.282,1273 1.173,1274 3.97,1275 1.946,1276 5.303,1277 4.111,1278 6.828,1279 6.138,1280 8.45,1281 8.113,1282 10.134,1289 9.081,1290 3.863,1294 0.565,1300 26.708,1301 63.953,1302 156.772,1303 200.477,1304 208.477,1305 210.477,1306 210.477,1307 31.586,1308 7.042,1309 60.05,1310 60.05,1311 19,1312 12.691,1313 4.087,1314 3.248,1315 31.445,1316 67,1317 68,1318 0.238,1319 161.743,1320 269.92,1321 386.412,1322 8957,1324 15.811,1325 0.687,1326 0.559,1327 15.811,1328 12.851,1329 11.237,1330 0.432,1331 0.308,1332 7.913,1333 10.824,1334 7.776,1335 6.376,1336 11.237,1337 8.013,1338 10.212,1339 0.276,1340 0.167,1341 10.212,1342 6.186,1343 7.999,1344 0.163,1345 0.087,1346 7.999,1347 4.244,1348 7.119,1349 0.1,1350 0.047,1351 7.119,1352 3.312,1353 5.747,1354 0.063,1355 0.027,1356 5.747,1357 2.414,1358 0.353,1359 70.228,1360 0.237,1361 21.96,1362 0.72,1363 126,1364 338.821,1365 136.7,1366 328.756,1367 451.88,1368 308,1369 152,1370 335.117,1371 162.512,1372 338.839,1373 497.36,1374 320,1375 8.31} {0 CHEMBL114751,1 1.612,2 12.161,3 4.097,4 16.788,5 120.603,6 8.199,7 0.529,8 4.073,9 4.168,10 3.751,11 3.688,12 5.239,13 3.653,14 4.572,15 4.695,16 4.105,17 4.086,18 5.807,19 4.012,20 4.852,21 5.018,22 4.259,23 4.26,24 5.934,25 4.17,26 4.933,27 5.11,28 4.27,29 4.272,30 6.015,31 4.155,32 4.925,33 5.119,34 4.192,35 4.232,36 5.977,37 4.115,38 4.879,39 5.072,40 4.07,41 4.139,42 5.977,43 4.027,44 4.864,45 5.084,46 3.942,47 4.048,48 5.92,49 3.935,50 4.799,51 5.033,52 3.823,53 3.871,54 5.955,55 3.77,56 0.072,57 0.71,58 9.799,59 5.046,60 12.296,61 5.741,62 0.351,63 1.173,64 20.818,65 9.146,66 44.76,67 10.347,68 0.289,69 1.526,70 29.293,71 11.987,72 44.072,73 13.92,74 0.431,75 1.619,76 35.553,77 13.737,78 61.996,79 15.169,80 0.442,81 1.628,82 37.487,83 13.565,84 63.559,85 15.47,86 0.569,87 1.502,88 33.287,89 12.536,90 66.658,91 14.906,92 0.375,93 1.484,94 30.399,95 11.718,96 53.48,97 14.682,98 0.487,99 1.36,100 32.14,101 10.91,102 79.467,103 12.926,104 11,105 46,106 0.266,107 0.588,108 0.743,109 0.858,110 0.894,111 0.901,112 3.472,113 0.967,114 -4.51,115 -4.44,116 -4.18,118 45.3,124 3,126 1,140 12,141 4,142 2,154 1,155 1,163 1,167 1,168 14,169 1,172 4,175 3,176 1,177 3,180 17,181 2,186 6,191 5,194 13,195 2,198 8,203 5,206 11,210 4,211 1,215 5,218 11,219 2,221 1,222 3,225 1,227 6,229 7,230 2,234 4,237 1,239 8,242 5,243 2,247 5,252 7,253 1,255 2,256 1,258 1,259 5,262 2,263 1,264 5,267 5,270 1862,271 21.19,272 21.19,273 21.19,274 21.19,275 21.19,276 18.713,277 22.84,278 12.819,279 21.607,280 16.82,281 16.82,282 16.82,283 16.82,284 16.82,285 13.071,286 26.798,287 6.112,288 17.476,289 4.116,290 2.159,291 1.219,292 0.521,293 0.302,294 0.264,295 4.172,299 1,300 1,301 818,302 3.808,306 234.896,307 80.624,311 254.236,313 1.575,314 32.529,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 67,326 377,327 4.487,328 4.567,329 6.808,330 4.174,331 3.208,332 4.085,333 3.691,334 11.265,335 3.099,336 4.162,337 3.582,338 6.137,339 3.778,340 2.781,341 3.771,342 1.656,343 8.959,344 2.765,345 3.963,346 3.547,347 5.823,348 3.593,349 2.625,350 3.476,351 1.437,352 7.815,353 2.535,354 3.825,355 3.305,356 5.484,357 3.455,358 2.469,359 3.196,360 1.151,361 7.392,362 2.421,363 3.538,364 2.836,365 5.267,366 3.151,367 2.186,368 2.759,369 0.462,370 6.345,371 2.116,372 3.324,373 2.737,374 4.818,375 3.051,376 2.124,377 2.477,378 0.247,379 5.516,380 1.936,381 2.929,382 2.535,383 4.264,384 2.498,385 1.547,386 2.1,388 3.648,389 1.479,390 2.866,391 2.01,392 3.962,393 2.452,394 1.474,395 2.009,397 3.423,398 1.432,399 2.775,400 1.711,401 3.773,402 2.316,403 1.359,404 1.841,406 3.105,407 1.285,408 2.736,409 1.52,410 3.637,411 2.288,412 1.295,413 1.782,415 2.932,416 1.271,417 2.588,418 1.496,419 3.58,420 2.256,421 1.258,422 1.586,424 2.916,425 1.232,426 2.5,427 1.404,428 3.376,429 2,430 1,431 1.5,433 2.136,434 1,435 2.152,436 1.305,437 3.247,438 1.796,439 0.85,440 1.065,442 2.057,443 0.791,444 1.824,445 1.032,446 3.193,447 1.528,448 0.643,449 0.732,451 1.517,452 0.559,453 1.288,454 1,455 2.831,456 1.054,457 0.156,458 0.172,460 0.379,461 0.138,462 14.967,463 0.483,464 0.644,465 0.021,466 41.25,467 1.331,468 22,469 0.71,470 19.25,471 0.621,472 26.009,473 0.839,474 32.433,475 0.612,476 31.661,477 1.021,478 8.056,479 0.26,480 7.058,481 0.228,482 0.067,484 0.301,487 0.799,488 1.016,489 0.738,490 0.861,491 0.669,492 0.831,493 0.632,494 1.03,495 1.118,496 1.126,497 0.448,498 1.035,499 0.893,500 1.058,501 1.035,502 1.07,503 0.736,504 1.001,505 1.11,506 1.065,507 1.228,508 1.146,509 0.95,510 1.056,511 0.997,512 1.051,513 1.253,514 1.172,515 0.968,516 1.027,517 0.798,518 1.138,519 1.084,520 1.177,521 0.825,522 1.129,523 0.888,524 1.146,525 0.915,526 1.045,527 0.88,528 1.089,529 1.349,530 1.006,531 1.01,532 0.922,533 1.448,534 0.915,535 5,536 0.199,537 3.111,538 1.875,539 1.652,540 0.893,541 0.59,542 0.425,543 0.294,544 0.235,545 13342,546 39188,547 2.104,548 41.5,550 19,553 3,558 1.738,559 2,560 3.508,561 0.844,563 1,567 85.433,568 1.612,569 3.569,570 4.509,571 5.207,572 5.426,573 5.464,574 2.826,575 4.696,576 4.923,577 3.723,578 1731.12,579 8.609,580 25095.9,582 1,585 303.58,586 1.277,587 4.899,588 0.147,589 0.007,590 0.068,591 0.037,592 0.035,593 0.02,594 0.015,595 0.012,596 0.009,597 0.008,598 0.358,599 0.17,600 1,601 0.646,602 161.681,603 -0.082,604 0.05,605 0.037,606 0.083,607 -0.077,608 0.065,609 0.167,610 0.036,611 -0.107,612 -0.064,613 0.168,614 -0.094,615 -0.069,616 -0.03,617 -0.007,618 -0.028,619 -0.025,620 -0.027,621 -0.12,622 -0.051,623 -0.043,624 -0.028,625 -0.068,626 -0.061,627 -0.086,628 -0.029,629 -0.056,630 -0.054,631 -0.075,632 -0.017,633 0.122,634 -0.163,635 -0.053,636 -0.158,637 0.027,638 -0.131,639 0.003,640 -0.176,641 0.004,642 -0.119,643 -0.02,644 -0.098,645 -0.14,646 -0.034,647 0.041,648 0.039,649 -0.1,650 0.074,651 2.636,652 5.118,653 0.677,654 32.2,655 1.008,656 1.111,657 3.281,658 10.764,659 0.7,660 3.555,661 3.85,662 4.111,663 4.369,664 4.635,665 4.745,666 4.868,667 4.97,668 5.081,669 5.165,670 7.238,671 0.667,672 434.55,673 3.555,674 5.081,675 5.922,676 6.788,677 7.65,678 8.526,679 9.399,680 10.281,681 11.161,682 12.047,683 3.8,690 2,699 12,704 6,706 18,714 1,722 1,724 53,726 20,727 3,728 34,730 56,731 24,733 18,734 6,735 12,736 1,739 4,740 7,744 1,748 1,751 1,753 20,754 4,756 2,761 2,765 2,769 1,772 22,773 6,774 3,775 7,776 1,779 2,784 0.5,785 4,802 3,803 1,807 2,830 1,832 2,833 1,834 1,840 31,845 1,846 3,847 2,848 1,849 1,850 1,862 7.5,864 1,865 2,867 1,869 15.5,870 9.2,871 6.889,872 2.994,874 3.218,875 1.408,876 0.973,877 6.923,878 11.104,879 3.829,880 4.376,881 4.896,882 5.424,883 5.962,884 6.125,885 6.462,886 6.77,887 7.124,888 7.442,889 0.875,890 51,891 11.483,893 4.92,894 7.871,895 21.7,897 17.804,899 2.371,900 73.5,903 1,904 223.651,905 179.46,906 36.022,908 103.973,910 32.22,911 147.241,912 327.624,913 36.022,915 43.619,916 113.715,917 93.883,918 31.742,919 4.276,920 255.87,922 223.651,923 183.262,924 103.973,925 32.22,927 223.651,928 103.973,931 43.619,932 139.643,934 32.22,935 223.651,936 139.995,937 179.46,940 223.651,941 65.745,942 113.715,943 36.022,944 103.973,945 223.651,946 139.995,947 179.46,949 0.572,950 0.329,951 0.18,952 0.103,953 21,954 9,955 0.107,956 6,957 2,958 1.19,959 4.246,960 277.541,961 0.19,962 21,963 149.58,964 1,968 21.44,969 10.01,970 5.283,972 139.995,973 22.267,978 4.66,980 78.705,981 543.106,982 45,987 23.626,991 -1.228,994 53.425,995 58.906,996 0.281,997 0.623,998 0.787,999 0.909,1000 0.947,1001 0.954,1002 5.047,1003 1.474,1004 5.883,1005 3.648,1006 4.533,1007 5.063,1008 3.662,1009 6.668,1010 4.463,1011 6.226,1012 1.359,1013 7.421,1014 3.423,1015 4.007,1016 4.718,1017 2.441,1018 7.538,1019 3.932,1020 7.511,1021 1.295,1022 9.065,1023 3.105,1024 6.089,1025 7.168,1026 5.87,1027 10.658,1028 5.963,1029 8.83,1030 1.258,1031 10.773,1032 2.932,1033 6.415,1034 7.639,1035 5.247,1036 12.415,1037 6.276,1038 10.182,1039 1,1040 12.526,1041 2.916,1042 7.935,1043 9.557,1044 8.373,1045 15.048,1046 7.76,1047 11.557,1048 0.85,1049 14.309,1050 2.136,1051 8.672,1052 10.424,1053 8.092,1054 17.176,1055 8.474,1056 12.951,1057 0.643,1058 16.115,1059 2.057,1060 9.957,1061 12.096,1062 10.927,1063 19.653,1064 9.729,1065 3.208,1066 0.156,1067 17.938,1068 1.517,1069 10.9,1070 13.178,1071 10.892,1072 21.942,1073 10.642,1074 2.781,1075 11.265,1076 19.774,1077 0.379,1078 12.088,1079 14.722,1080 13.492,1081 24.372,1082 11.8,1083 2.625,1084 8.959,1085 21.622,1086 4.085,1087 13.134,1088 15.928,1089 13.648,1090 26.731,1091 12.811,1092 2.469,1093 7.815,1094 23.478,1095 3.771,1096 14.288,1097 17.401,1098 16.062,1099 29.148,1100 13.934,1101 2.186,1102 7.392,1103 25.342,1104 3.476,1105 15.386,1106 18.681,1107 16.372,1108 31.539,1109 14.995,1110 2.124,1111 6.345,1112 27.213,1113 3.196,1114 16.53,1115 20.115,1116 18.636,1117 33.955,1118 16.106,1119 1.547,1120 5.516,1121 29.09,1122 2.759,1123 17.655,1124 21.439,1125 19.075,1126 36.361,1127 17.193,1128 12671,1129 21852,1130 23.057,1131 37.091,1132 50.276,1133 54.243,1134 51.221,1135 49.838,1136 49.949,1137 65.106,1138 17.286,1139 138.806,1140 48.117,1141 5.446,1142 6.567,1143 6.61,1144 5.309,1145 5.208,1146 7.085,1147 7.163,1148 18.626,1149 5.099,1150 12.86,1151 1.479,1152 1.595,1153 1.506,1154 1.466,1155 1.469,1156 1.915,1157 0.508,1158 4.083,1159 1.415,1160 4.045,1161 4.059,1162 4.084,1163 3.997,1164 7.475,1165 3.986,1166 3.904,1167 3.941,1168 3.838,1169 3.824,1170 7.431,1171 3.821,1172 3.822,1173 3.842,1174 3.774,1175 3.765,1176 6.351,1177 3.762,1178 3.615,1179 3.676,1180 3.707,1181 3.476,1182 4.875,1183 3.43,1184 3.36,1185 3.367,1186 3.418,1187 3.182,1188 4.768,1189 3.193,1190 3.288,1191 3.319,1192 3.282,1193 3.076,1194 4.632,1195 3.092,1196 3.138,1197 3.18,1198 3.008,1199 2.947,1200 4.244,1201 2.953,1202 3.067,1203 3.109,1204 2.954,1205 2.897,1206 4.174,1207 2.909,1208 0.132,1209 0.134,1210 0.2,1211 0.123,1212 0.094,1213 4.487,1214 0.12,1215 4.567,1216 0.109,1217 6.808,1218 0.331,1219 4.174,1220 0.091,1221 3.208,1222 4.085,1223 3.691,1224 11.265,1225 3.099,1226 1.96,1227 1.945,1228 2.042,1229 2.016,1230 1.284,1231 2.031,1232 1.887,1233 1.855,1234 2.011,1235 1.996,1236 1.1,1237 2.001,1238 1.87,1239 1.853,1240 1.967,1241 1.968,1242 1.068,1243 1.968,1244 1.555,1245 1.499,1246 1.759,1247 1.784,1248 1.041,1249 1.789,1250 1.254,1251 1.239,1252 1.453,1253 1.504,1254 0.621,1255 1.468,1256 1.208,1257 1.17,1258 1.36,1259 1.44,1260 0.585,1261 1.441,1262 1.109,1263 1.062,1264 1.303,1265 1.342,1266 0.314,1267 1.332,1268 0.993,1269 0.959,1270 1.181,1271 1.212,1272 0.218,1273 1.225,1274 4.234,1276 5.533,1278 7.026,1279 2.708,1280 8.608,1281 5.38,1282 10.242,1289 9.432,1290 1.555,1291 5.665,1292 5.965,1293 1.649,1294 -0.091,1300 35.357,1301 85.433,1302 189.134,1303 238.951,1304 275.97,1305 287.58,1306 289.58,1307 59.336,1308 7.886,1309 87.66,1310 112.96,1311 25,1312 12.58,1313 4.392,1314 3.585,1315 49.417,1316 128,1317 156,1318 0.177,1319 219.916,1320 388.25,1321 528.355,1322 32877,1324 21.631,1325 0.698,1326 0.565,1327 21.985,1328 17.524,1329 15.114,1330 0.445,1331 0.322,1332 9.888,1333 14.172,1334 9.603,1335 7.922,1336 15.568,1337 10.958,1338 13.32,1339 0.29,1340 0.179,1341 13.877,1342 8.256,1343 10.952,1344 0.183,1345 0.104,1346 11.649,1347 6.245,1348 9.105,1349 0.117,1350 0.06,1351 9.881,1352 4.709,1353 7.644,1354 0.075,1355 0.035,1356 8.495,1357 3.532,1358 0.28,1359 98.729,1360 0.208,1361 29.265,1362 0.48,1363 160,1364 488.882,1365 196.409,1366 489.961,1367 656.94,1368 458,1369 186,1370 453.416,1371 218.622,1372 469.64,1373 687.83,1374 442,1375 6.081} {0 CHEMBL114843,1 1.596,2 19.5,3 3.526,4 12.431,5 171.698,6 7.344,7 0.375,8 4.513,9 4.634,10 4.096,11 4.044,12 5.562,13 4.004,14 5.081,15 5.263,16 4.418,17 4.434,18 6.068,19 4.361,20 5.337,21 5.559,22 4.46,23 4.568,24 6.28,25 4.464,26 5.386,27 5.615,28 4.491,29 4.549,30 6.378,31 4.453,32 5.372,33 5.591,34 4.45,35 4.575,36 6.34,37 4.473,38 5.419,39 5.661,40 4.405,41 4.619,42 6.319,43 4.48,44 5.399,45 5.651,46 4.324,47 4.566,48 6.286,49 4.423,50 5.327,51 5.581,52 4.281,53 4.509,54 6.188,55 4.383,56 0.063,57 1.245,58 18.564,59 8.017,60 14.033,61 10.52,62 0.46,63 2.035,64 39.057,65 13.15,66 43.201,67 17.662,68 0.568,69 2.416,70 50.597,71 17.347,72 62.505,73 23.426,74 0.697,75 2.455,76 56.007,77 17.378,78 90.968,79 23.62,80 0.708,81 2.429,82 52.119,83 17.504,84 86.714,85 23.588,86 0.736,87 2.577,88 57.456,89 19.683,90 78.298,91 26.882,92 0.697,93 2.479,94 55.737,95 18.979,96 80.082,97 26.711,98 0.398,99 2.333,100 47.777,101 16.991,102 55.717,103 24.469,104 19,105 63,106 0.24,107 0.562,108 0.789,109 0.875,110 0.889,111 0.893,112 3.81,113 1.018,114 -3.63,115 -3.6,116 -3.43,118 39.3,119 1,120 3,124 8,126 1,127 1,140 8,141 4,143 4,153 1,154 2,162 1,168 12,171 2,172 11,177 2,180 11,185 1,186 13,189 2,191 1,194 7,197 1,198 17,201 1,203 1,206 7,209 2,210 11,218 8,221 3,222 8,225 1,229 9,233 5,234 9,242 9,246 1,247 7,252 1,255 7,258 1,259 11,264 2,267 5,270 4986,271 30.474,272 30.474,273 30.474,274 30.474,275 30.474,276 27.854,277 29.867,278 18.774,279 31.34,280 23.729,281 23.729,282 23.729,283 23.729,284 23.729,285 19.783,286 31.576,287 8.921,288 24.963,289 4.796,290 2.66,291 1.152,292 0.58,293 0.485,294 0.461,295 4.515,300 1,301 1847,302 4.69,305 147.628,306 691.662,313 3.114,314 40.479,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 95,326 858,327 4.392,328 4.549,329 6.508,330 4.017,331 3.049,332 3.986,333 3.528,334 10.225,335 2.988,336 4.187,337 4,338 6.434,339 3.995,340 3.028,341 3.562,342 2.443,343 9.879,344 2.894,345 4.009,346 3.802,347 6.114,348 3.733,349 2.788,350 3.481,351 2.373,352 8.917,353 2.635,354 3.932,355 3.681,356 5.623,357 3.59,358 2.618,359 3.265,360 1.985,361 7.785,362 2.548,363 3.655,364 3.058,365 5.328,366 3.35,367 2.373,368 2.87,369 0.916,370 6.749,371 2.297,372 3.567,373 2.988,374 5.166,375 3.307,376 2.344,377 2.825,378 0.635,379 6.183,380 2.243,381 3.399,382 2.898,383 5.029,384 3.059,385 2.11,386 2.518,387 0.478,388 6.066,389 2.008,390 3.235,391 2.526,392 4.882,393 2.898,394 1.954,395 2.374,396 0.286,397 5.49,398 1.824,399 3.002,400 2.246,401 4.407,402 2.71,403 1.76,404 2.145,405 0.172,406 4.26,407 1.661,408 2.869,409 2.154,410 4.128,411 2.6,412 1.663,413 1.939,414 0.048,415 3.839,416 1.55,417 2.794,418 2.037,419 3.749,420 2.461,421 1.49,422 1.836,424 3.323,425 1.443,426 2.663,427 1.923,428 3.666,429 2.222,430 1.269,431 1.725,433 2.775,434 1.207,435 2.517,436 1.828,437 3.506,438 2.17,439 1.195,440 1.5,442 2.71,443 1.159,444 2.5,445 1.739,446 3.465,447 2.105,448 1.159,449 1.5,451 2.562,452 1.076,453 2.5,454 1.519,455 3.414,456 1.967,457 1,458 1.468,460 2.275,461 0.965,462 21.067,463 0.479,464 0.742,465 0.017,466 51.25,467 1.165,468 22.5,469 0.511,470 28.75,471 0.653,472 46.3,473 1.052,474 48.533,475 0.578,476 42.793,477 0.973,478 9.839,479 0.224,480 11.763,481 0.267,482 0.055,484 0.252,487 0.709,488 1.395,489 0.785,490 1.12,491 0.544,492 1.034,493 0.993,494 1.182,495 1.107,496 1.093,497 0.643,498 1.014,499 1.083,500 1.036,501 1.015,502 1.002,503 0.964,504 1.008,505 1.306,506 1.026,507 1.025,508 0.999,509 1.537,510 0.96,511 1.321,512 1.015,513 1.029,514 0.936,515 1.342,516 0.999,517 0.781,518 1.002,519 1.098,520 1.077,521 0.667,522 1.056,523 0.719,524 1.025,525 0.999,526 1.052,527 0.74,528 1.046,529 0.743,530 1.029,531 0.819,532 0.952,533 0.638,534 1.017,535 6.5,536 0.267,537 4,538 2.375,539 1.442,540 1.001,541 0.897,542 0.506,543 0.306,544 0.284,545 39989,546 104699,547 2.111,548 47.6,549 2,550 25,551 1,552 4,553 1,554 2,555 5,558 1.82,559 2.031,560 4.192,561 -0.377,567 134.103,568 1.596,569 3.733,570 5.24,571 5.812,572 5.907,573 5.931,574 3.737,575 5.033,576 5.424,577 4.4,578 4162.29,579 9.597,580 84306.6,585 536.955,586 1.141,587 5.415,588 0.135,589 0.005,590 0.063,591 0.037,592 0.023,593 0.016,594 0.015,595 0.009,596 0.006,597 0.005,598 0.315,599 0.33,600 0.5,601 1.505,602 262.478,603 0.056,604 -0.18,605 0.079,606 -0.047,607 0.034,608 -0.014,609 -0.015,610 -0.032,611 -0.062,612 -0.029,613 0.03,614 -0.03,615 -0.065,616 -0.002,617 -0.035,618 -0.008,619 -0.038,620 -0.027,621 -0.106,622 -0.021,623 0.009,624 -0.008,625 -0.123,626 0.007,627 -0.139,628 -0.008,629 -0.071,630 0.029,631 -0.149,632 -0.031,633 0.064,634 0.008,635 -0.076,636 -0.05,637 0.035,638 -0.052,639 0.087,640 -0.049,641 -0.034,642 -0.06,643 0.048,644 -0.04,645 -0.01,646 -0.048,647 0.015,648 -0.039,649 0.005,650 -0.024,651 1.85,652 6.263,653 0.659,654 75.362,655 1,656 1.129,657 2.402,658 5.768,659 0.66,660 3.892,661 4.159,662 4.407,663 4.635,664 4.82,665 4.875,666 5.017,667 5.124,668 5.209,669 5.328,670 10.932,671 0.621,672 616.86,673 3.892,674 5.407,675 6.236,676 7.086,677 7.932,678 8.79,679 9.645,680 10.509,681 11.369,682 12.236,683 7.1,685 1,686 1,690 1,692 1,693 2,699 12,700 2,704 4,706 18,709 1,724 84,726 21,727 1,728 48,730 88,731 33,733 16,734 2,735 4,736 1,739 5,740 5,745 1,748 1,751 4,753 19,754 14,756 3,761 2,764 1,765 3,772 40,773 10,774 1,775 11,776 1,779 6,784 1,785 4,795 2,801 1,802 4,817 1,819 1,826 1,828 1,832 5,833 1,834 1,836 1,840 44,846 11,847 1,848 2,849 1,850 2,851 2,862 4.8,865 2,867 2,869 21.667,870 15,871 9.972,872 5.289,874 2.955,875 1.342,876 0.954,877 12.185,878 11.601,879 4.111,880 4.58,881 5.055,882 5.517,883 5.974,884 6.056,885 6.409,886 6.678,887 6.897,888 7.132,889 1,890 64,891 16.344,893 6.826,894 7.663,895 31.67,897 25.84,899 2.163,900 95.167,904 459.073,905 208.656,906 77.23,908 72.509,910 32.22,911 176.436,912 531.581,913 77.23,914 8.825,915 31.341,916 93.821,917 145.598,918 93.675,919 11.771,920 432.437,922 459.073,923 253.667,924 72.509,925 32.22,927 400.217,928 131.364,931 116.891,932 103.205,933 33.571,934 32.22,935 459.073,936 149.739,937 208.656,940 459.073,941 87.831,942 127.073,943 18.011,944 125.479,945 459.073,946 149.739,947 208.656,949 0.561,950 0.323,951 0.176,952 0.092,953 26,954 11,955 0.159,956 14,958 1,959 5.525,960 425.818,962 29,963 236.215,964 1,968 32.118,969 16.693,970 9.359,972 149.739,973 23.31,974 8.486,978 4.09,980 18.011,981 817.468,982 60,987 24.824,990 4.488,991 0.716,994 84.018,995 94.806,996 0.25,997 0.584,998 0.82,999 0.909,1000 0.924,1001 0.928,1002 5.33,1003 1.954,1004 6.176,1005 6.066,1006 4.844,1007 5.268,1008 4.02,1009 6.925,1010 4.753,1011 6.467,1012 1.76,1013 7.689,1014 5.49,1015 4.205,1016 4.745,1017 2.94,1018 7.7,1019 4.104,1020 7.725,1021 1.663,1022 9.307,1023 4.26,1024 6.368,1025 7.258,1026 6.038,1027 10.807,1028 6.202,1029 9.014,1030 1.49,1031 10.99,1032 3.839,1033 6.621,1034 7.586,1035 5.27,1036 12.469,1037 6.441,1038 10.34,1039 1.269,1040 12.717,1041 3.323,1042 8.174,1043 9.544,1044 8.323,1045 15.055,1046 7.942,1047 11.69,1048 1.195,1049 14.474,1050 2.775,1051 8.852,1052 10.287,1053 7.714,1054 17.074,1055 8.6,1056 13.059,1057 1.159,1058 16.252,1059 2.71,1060 10.142,1061 11.987,1062 10.716,1063 19.481,1064 9.848,1065 3.049,1066 1,1067 18.047,1068 2.562,1069 11.032,1070 12.964,1071 10.275,1072 21.654,1073 10.713,1074 3.028,1075 10.225,1076 19.854,1077 2.275,1078 12.207,1079 14.524,1080 13.161,1081 23.995,1082 11.852,1083 2.788,1084 9.879,1085 21.67,1086 3.986,1087 13.202,1088 15.644,1089 12.886,1090 26.237,1091 12.82,1092 2.618,1093 8.917,1094 23.494,1095 3.562,1096 14.328,1097 17.122,1098 15.63,1099 28.553,1100 13.913,1101 2.373,1102 7.785,1103 25.324,1104 3.481,1105 15.375,1106 18.332,1107 15.508,1108 30.827,1109 14.932,1110 2.344,1111 6.749,1112 27.159,1113 3.265,1114 16.482,1115 19.763,1116 18.112,1117 33.135,1118 16.008,1119 2.11,1120 6.183,1121 28.998,1122 2.87,1123 17.555,1124 21.032,1125 18.124,1126 35.425,1127 17.053,1128 37785,1129 61272,1130 32.879,1131 55.444,1132 70.401,1133 75.928,1134 71.574,1135 69.819,1136 69.831,1137 85.898,1138 25.731,1139 188.462,1140 66.546,1141 5.392,1142 6.549,1143 6.337,1144 5.121,1145 5.049,1146 6.986,1147 6.918,1148 17.087,1149 4.988,1150 17.103,1151 1.467,1152 1.582,1153 1.491,1154 1.455,1155 1.455,1156 1.79,1157 0.536,1158 3.926,1159 1.386,1160 4.022,1161 4.061,1162 4.059,1163 3.938,1164 7.433,1165 3.938,1166 3.927,1167 3.963,1168 3.946,1169 3.845,1170 7.426,1171 3.828,1172 3.846,1173 3.899,1174 3.772,1175 3.724,1176 5.01,1177 3.728,1178 3.78,1179 3.824,1180 3.715,1181 3.635,1182 4.897,1183 3.645,1184 3.746,1185 3.788,1186 3.645,1187 3.578,1188 4.799,1189 3.577,1190 3.627,1191 3.682,1192 3.627,1193 3.501,1194 4.661,1195 3.474,1196 3.525,1197 3.578,1198 3.391,1199 3.293,1200 4.468,1201 3.298,1202 3.339,1203 3.397,1204 3.277,1205 3.141,1206 4.341,1207 3.15,1208 0.091,1209 0.095,1210 0.136,1211 0.084,1212 0.064,1213 4.392,1214 0.083,1215 4.549,1216 0.074,1217 6.508,1218 0.213,1219 4.017,1220 0.062,1221 3.049,1222 3.986,1223 3.528,1224 10.225,1225 2.988,1226 1.964,1227 1.938,1228 2.069,1229 2.072,1230 1.323,1231 2.072,1232 1.845,1233 1.81,1234 1.97,1235 2.001,1236 1.279,1237 1.994,1238 1.814,1239 1.771,1240 1.952,1241 1.963,1242 1.161,1243 1.966,1244 1.747,1245 1.693,1246 1.946,1247 1.907,1248 1.076,1249 1.919,1250 1.711,1251 1.662,1252 1.897,1253 1.892,1254 1.037,1255 1.897,1256 1.505,1257 1.454,1258 1.8,1259 1.742,1260 0.954,1261 1.758,1262 1.483,1263 1.42,1264 1.689,1265 1.713,1266 0.94,1267 1.714,1268 1.276,1269 1.223,1270 1.541,1271 1.541,1272 0.825,1273 1.538,1274 4.575,1276 5.855,1277 2.398,1278 7.326,1279 4.595,1280 8.881,1281 6.605,1282 10.483,1284 1.807,1290 7.196,1291 3.493,1292 10.677,1293 1.762,1294 -0.063,1295 4.382,1300 52.13,1301 134.103,1302 313.553,1303 440.2,1304 488.2,1305 496.2,1306 498.2,1307 93.452,1308 8.645,1309 109.25,1310 134.55,1311 29,1312 12.783,1313 4.459,1314 3.7,1315 74.298,1316 286,1317 328,1318 0.121,1319 323.104,1320 572.95,1321 780.133,1322 89180,1324 30.564,1325 0.695,1326 0.59,1327 30.918,1328 25.955,1329 21.602,1330 0.45,1331 0.339,1332 15.115,1333 20.251,1334 14.716,1335 12.131,1336 22.056,1337 16.293,1338 18.347,1339 0.291,1340 0.189,1341 18.898,1342 11.936,1343 15.326,1344 0.189,1345 0.11,1346 16.03,1347 8.888,1348 12.588,1349 0.123,1350 0.064,1351 13.394,1352 6.53,1353 9.737,1354 0.079,1355 0.035,1356 10.355,1357 4.329,1358 0.199,1359 140.264,1360 0.174,1361 39.907,1362 0.309,1363 222,1364 654.361,1365 266.845,1366 640.688,1367 864.53,1368 604,1369 255,1370 605.491,1371 298.083,1372 616.418,1373 896.43,1374 580,1375 7.056} {0 CHEMBL115,1 1.45,2 14.889,3 3.189,4 10.17,5 175.967,6 6.673,7 0.367,8 4.589,9 4.721,10 4.049,11 4.103,12 5.609,13 4.061,14 5.172,15 5.364,16 4.425,17 4.531,18 6.128,19 4.464,20 5.523,21 5.743,22 4.495,23 4.729,24 6.473,25 4.617,26 5.688,27 5.965,28 4.509,29 4.748,30 6.575,31 4.618,32 5.635,33 5.867,34 4.591,35 4.73,36 6.745,37 4.64,38 5.701,39 5.946,40 4.596,41 4.799,42 6.729,43 4.694,44 5.753,45 6.007,46 4.6,47 4.876,48 6.658,49 4.75,50 5.809,51 6.069,52 4.651,53 4.904,54 6.781,55 4.773,56 0.091,57 1.326,58 21.475,59 8.733,60 20.889,61 12.257,62 0.37,63 2.199,64 39.882,65 14.342,66 47.299,67 21.031,68 0.744,69 2.847,70 58.139,71 19.843,72 86.966,73 29.008,74 0.772,75 3.037,76 69.765,77 22.992,78 107.979,79 34.186,80 1.028,81 2.914,82 66.812,83 20.989,84 180.16,85 30.406,86 1.175,87 3.154,88 71.382,89 22.131,90 166.866,91 32.64,92 0.778,93 3.347,94 73.911,95 25.046,96 122.088,97 36.668,98 0.892,99 3.452,100 78.401,101 26.98,102 149.799,103 39.307,104 53,105 69,106 0.215,107 0.522,108 0.731,109 0.825,110 0.866,111 0.875,112 3.832,113 0.98,114 -2.95,115 -2.96,116 -2.86,118 39.1,119 3,120 3,121 1,124 5,126 4,129 1,140 11,141 4,143 2,154 2,168 18,172 4,175 2,177 7,180 22,185 2,186 5,189 2,190 1,191 8,194 13,197 2,198 7,201 1,203 6,206 7,210 10,213 2,214 1,215 7,218 8,221 1,222 12,225 3,226 1,227 8,229 10,233 1,234 8,239 7,242 10,246 1,247 6,250 1,251 1,252 12,255 19,258 2,259 6,262 4,263 1,264 6,267 20,270 4731,271 29.825,272 29.825,273 29.825,274 29.825,275 29.825,276 27.335,277 36.355,278 17.714,279 30.228,280 24.269,281 24.269,282 24.269,283 24.269,284 24.269,285 20.619,286 53.214,287 8.534,288 24.934,289 5.074,290 3.001,291 1.593,292 0.962,293 0.688,294 0.623,295 4.53,300 1,301 1445,302 5.339,305 122.409,306 685.914,309 227.756,313 1.995,314 52.857,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 96.5,326 670,327 4.401,328 3.818,329 6.729,330 4.171,331 3.189,332 3.915,333 1.959,334 10.959,335 3.132,336 4.237,337 3.748,338 6.577,339 4.149,340 3.181,341 3.471,342 1.909,343 10.488,344 3.075,345 4.039,346 3.413,347 6.329,348 3.92,349 2.964,350 3.459,351 0.916,352 9.71,353 2.858,354 3.991,355 3.188,356 6.086,357 3.832,358 2.832,359 3.324,360 0.815,361 8.871,362 2.806,363 3.893,364 2.997,365 5.551,366 3.564,367 2.593,368 3.083,369 0.561,370 7.596,371 2.521,372 3.792,373 2.837,374 5.474,375 3.421,376 2.423,377 2.979,378 0.172,379 6.912,380 2.417,381 3.409,382 2.727,383 5.292,384 3.234,385 2.267,386 2.526,387 0.163,388 6.654,389 2.18,390 3.331,391 2.495,392 5.192,393 3.09,394 2.131,395 2.41,397 6.251,398 2.053,399 3.291,400 2.353,401 5.015,402 3.081,403 2.113,404 2.35,406 5.98,407 2.015,408 2.979,409 2.27,410 4.782,411 2.745,412 1.787,413 2.109,415 5.078,416 1.704,417 2.93,418 2.066,419 4.718,420 2.666,421 1.691,422 2.064,424 4.876,425 1.638,426 2.906,427 1.823,428 4.068,429 2.493,430 1.49,431 2.017,433 3.446,434 1.492,435 2.788,436 1.525,437 3.853,438 2.374,439 1.414,440 1.848,442 3.046,443 1.355,444 2.759,445 1.502,446 3.614,447 2.344,448 1.354,449 1.825,451 2.937,452 1.338,453 2.5,454 1.45,455 3.593,456 2.116,457 1.13,458 1.5,460 2.852,461 1.107,462 21.333,463 0.474,464 1.291,465 0.029,466 49.5,467 1.1,468 21,469 0.467,470 28.5,471 0.633,472 56.081,473 1.246,474 50.667,475 0.551,476 45.35,477 1.008,478 9.515,479 0.211,480 12.038,481 0.268,482 0.133,483 0.023,484 0.295,487 0.849,488 1.385,489 0.918,490 1.16,491 0.754,492 1.063,493 0.851,494 1.207,495 0.971,496 1.069,497 0.654,498 1.029,499 1.105,500 1.168,501 1.2,502 1.177,503 1.077,504 1.194,505 0.988,506 0.916,507 0.881,508 0.913,509 1.028,510 0.884,511 1.511,512 1.091,513 1.075,514 1.017,515 1.649,516 0.996,517 1.421,518 0.932,519 1.108,520 0.915,521 1.438,522 0.958,523 1.144,524 1.003,525 1.044,526 1.015,527 1.09,528 1.013,529 1.011,530 1.028,531 0.952,532 1.03,533 1.031,534 0.993,535 10.5,536 0.495,537 4.222,538 3.576,539 2.533,540 1.764,541 1.353,542 1.101,543 0.812,544 0.575,545 35486,546 80663,547 2.05,548 51.1,549 2,550 25,552 2,553 4,554 1,555 13,558 1.834,559 1.908,560 3.814,561 1.314,567 133.375,568 1.45,569 3.522,570 4.931,571 5.562,572 5.836,573 5.901,574 3.183,575 5.147,576 5.465,577 4.011,578 3971.02,579 9.726,580 75745.2,585 600.168,586 1.541,587 5.413,588 0.214,589 0.007,590 0.061,591 0.053,592 0.037,593 0.024,594 0.018,595 0.014,596 0.01,597 0.008,598 0.446,599 0.17,600 0.63,601 0.906,602 262.246,603 -0.057,604 -0.111,605 0.037,606 0.006,607 -0.077,608 0.027,609 0.008,610 -0.02,611 0.004,612 -0.004,613 0.015,615 -0.04,616 -0.074,617 -0.202,618 -0.166,619 -0.107,620 -0.201,621 0.028,622 0.041,623 0.116,624 0.044,625 0.009,626 0.087,627 -0.02,628 -0.094,629 -0.027,630 -0.047,631 0.012,632 -0.039,633 -0.059,634 0.082,635 -0.069,636 0.037,637 -0.038,638 -0.009,639 -0.09,640 -0.004,641 -0.047,642 -0.028,643 -0.056,644 -0.029,645 0.042,646 -0.066,647 0.043,648 -0.041,649 0.053,650 -0.005,651 2.167,652 6.81,653 0.6,654 57.375,655 0.993,656 1.131,657 1.725,658 2.975,659 0.64,660 3.912,661 4.248,662 4.454,663 4.736,664 4.942,665 4.956,666 5.106,667 5.236,668 5.278,669 5.357,670 8.931,671 0.598,672 613.88,673 3.912,674 5.468,675 6.301,676 7.185,677 8.036,678 8.923,679 9.784,680 10.671,681 11.539,682 12.427,683 5.4,686 2,690 2,693 1,699 13,700 1,704 4,706 18,724 92,726 20,727 2,728 49,730 96,731 36,733 17,734 3,735 9,739 5,740 6,745 3,748 4,751 7,753 19,754 17,755 2,756 2,761 2,765 2,772 47,773 9,774 4,775 9,779 5,784 0.8,785 4,787 2,795 1,801 1,802 4,805 1,816 2,828 2,830 2,832 4,836 3,840 45,845 2,846 8,847 2,850 5,851 2,852 1,862 4.3,863 2,865 2,869 23.583,870 16.583,871 9.708,872 5.486,874 1.876,875 1.226,876 0.914,877 10.934,878 10.174,879 4.111,880 4.61,881 5.012,882 5.477,883 5.893,884 5.8,885 6.048,886 6.304,887 6.387,888 6.532,889 0.9,890 68,891 16.935,893 7.389,894 7.72,895 32.547,897 27.554,899 2.22,900 99.917,904 506.157,905 189.093,906 59.056,908 135.657,911 189.093,912 641.814,913 59.056,914 26.476,915 54.154,916 189.605,917 100.027,918 37.086,920 482.615,922 506.157,923 248.149,924 135.657,927 353.133,928 203.314,929 85.367,931 104.973,932 126.39,933 16.786,935 506.157,936 194.712,937 189.093,940 506.157,941 40.284,942 155.058,943 36.022,944 152.442,945 506.157,946 194.712,947 189.093,949 0.584,950 0.32,951 0.179,952 0.1,953 31,954 15,955 0.125,956 12,957 1,958 1.074,959 5.215,960 469.03,961 0.074,962 27,963 238.379,968 33.088,969 14.87,970 9.139,972 194.712,973 25.16,974 4.23,978 4.07,980 121.388,981 889.962,982 60,987 27.348,991 -0.264,994 91.374,995 104.048,996 0.222,997 0.54,998 0.756,999 0.853,1000 0.895,1001 0.905,1002 5.378,1003 2.131,1004 6.308,1005 6.654,1006 4.934,1007 5.298,1008 2.812,1009 7.119,1010 4.882,1011 6.552,1012 2.113,1013 7.867,1014 6.251,1015 4.635,1016 4.977,1017 2.262,1018 8.116,1019 4.557,1020 7.837,1021 1.787,1022 9.529,1023 5.98,1024 6.561,1025 7.28,1026 3.684,1027 11.141,1028 6.457,1029 9.146,1030 1.691,1031 11.251,1032 5.078,1033 7.04,1034 7.679,1035 3.766,1036 12.934,1037 6.913,1038 10.485,1039 1.49,1040 13.01,1041 4.876,1042 8.479,1043 9.538,1044 4.829,1045 15.515,1046 8.326,1047 11.844,1048 1.414,1049 14.796,1050 3.446,1051 9.31,1052 10.29,1053 5.187,1054 17.634,1055 9.133,1056 13.22,1057 1.354,1058 16.601,1059 3.046,1060 10.559,1061 11.944,1062 6.068,1063 20.067,1064 10.357,1065 3.189,1066 1.13,1067 18.42,1068 2.937,1069 11.555,1070 12.899,1071 6.565,1072 22.324,1073 11.328,1074 3.181,1075 10.959,1076 20.251,1077 2.852,1078 12.729,1079 14.436,1080 7.348,1081 24.707,1082 12.477,1083 2.964,1084 10.488,1085 22.091,1086 3.915,1087 13.801,1088 15.52,1089 7.918,1090 27.023,1091 13.523,1092 2.832,1093 9.71,1094 23.938,1095 3.471,1096 14.949,1097 16.986,1098 8.647,1099 29.391,1100 14.646,1101 2.593,1102 8.871,1103 25.792,1104 3.459,1105 16.057,1106 18.157,1107 9.258,1108 31.735,1109 15.728,1110 2.423,1111 7.596,1112 27.651,1113 3.324,1114 17.198,1115 19.577,1116 9.958,1117 34.1,1118 16.843,1119 2.267,1120 6.912,1121 29.514,1122 3.083,1123 18.324,1124 20.807,1125 10.592,1126 36.457,1127 17.943,1128 33542,1129 50704,1130 32.304,1131 58.836,1132 74.342,1133 75.328,1134 74.395,1135 73.26,1136 73.199,1137 87.952,1138 12.992,1139 210.465,1140 71.285,1141 5.401,1142 5.818,1143 6.531,1144 5.239,1145 5.189,1146 6.915,1147 3.43,1148 17.91,1149 5.132,1150 24.546,1151 1.517,1152 1.537,1153 1.518,1154 1.495,1155 1.494,1156 1.795,1157 0.265,1158 4.295,1159 1.455,1160 4.054,1161 4.09,1162 3.985,1163 3.973,1164 7.43,1165 3.971,1166 3.962,1167 4.007,1168 3.885,1169 3.876,1170 7.426,1171 3.87,1172 3.913,1173 3.95,1174 3.838,1175 3.804,1176 6.452,1177 3.81,1178 3.829,1179 3.877,1180 3.754,1181 3.684,1182 6.446,1183 3.694,1184 3.732,1185 3.793,1186 3.622,1187 3.585,1188 4.899,1189 3.584,1190 3.674,1191 3.726,1192 3.558,1193 3.521,1194 4.758,1195 3.521,1196 3.49,1197 3.54,1198 3.374,1199 3.333,1200 4.728,1201 3.333,1202 3.377,1203 3.431,1204 3.254,1205 3.185,1206 4.411,1207 3.192,1208 0.09,1209 0.078,1210 0.137,1211 0.085,1212 0.065,1213 4.401,1214 0.08,1215 3.818,1216 0.04,1217 6.729,1218 0.224,1219 4.171,1220 0.064,1221 3.189,1222 3.915,1223 1.959,1224 10.959,1225 3.132,1226 1.939,1227 1.908,1228 2.076,1229 2.078,1230 1.388,1231 2.074,1232 1.896,1233 1.872,1234 2.034,1235 2.027,1236 1.311,1237 2.038,1238 1.886,1239 1.839,1240 2.009,1241 1.968,1242 1.17,1243 1.983,1244 1.794,1245 1.745,1246 1.971,1247 1.956,1248 1.156,1249 1.96,1250 1.72,1251 1.667,1252 1.93,1253 1.901,1254 1.105,1255 1.917,1256 1.663,1257 1.608,1258 1.854,1259 1.848,1260 1.098,1261 1.851,1262 1.547,1263 1.499,1264 1.756,1265 1.75,1266 1.024,1267 1.754,1268 1.338,1269 1.281,1270 1.582,1271 1.57,1272 0.829,1273 1.572,1274 4.595,1276 5.927,1277 2.398,1278 7.432,1279 4.844,1280 9.015,1281 7.018,1282 10.64,1284 5.895,1289 22.267,1290 4.035,1291 6.238,1294 -2.979,1295 4.309,1296 -0.394,1300 55.029,1301 133.375,1302 324.047,1303 453.61,1304 511.664,1305 536.883,1306 542.883,1307 132.235,1308 8.298,1309 118.03,1310 118.03,1311 29,1312 12.962,1313 4.392,1314 3.585,1315 76.144,1316 241,1317 250,1318 0.147,1319 336.883,1320 597.98,1321 813.754,1322 51150,1324 31.976,1325 0.711,1326 0.591,1327 31.976,1328 26.602,1329 21.553,1330 0.44,1331 0.327,1332 15.834,1333 20.885,1334 15.346,1335 12.716,1336 21.553,1337 16.011,1338 20.459,1339 0.297,1340 0.197,1341 20.459,1342 13.579,1343 15.356,1344 0.181,1345 0.102,1346 15.356,1347 8.704,1348 13.312,1349 0.118,1350 0.058,1351 13.312,1352 6.565,1353 10.733,1354 0.077,1355 0.033,1356 10.733,1357 4.642,1358 0.233,1359 134.102,1360 0.176,1361 39.345,1362 0.403,1363 236,1364 593.372,1365 254.961,1366 576.619,1367 772.82,1368 538,1369 272,1370 545.734,1371 291.547,1372 558.458,1373 808.45,1374 523,1375 5.733} {0 CHEMBL115387,1 1.716,2 12.581,3 3.965,4 15.723,5 116.185,6 8.195,7 0.545,8 4.076,9 4.167,10 3.842,11 3.681,12 5.231,13 3.639,14 4.597,15 4.735,16 4.108,17 4.05,18 5.996,19 3.986,20 4.873,21 5.054,22 4.103,23 4.184,24 6.049,25 4.079,26 4.944,27 5.163,28 3.999,29 4.133,30 6.08,31 4.02,32 4.839,33 5.035,34 4.028,35 4.106,36 5.953,37 4.005,38 4.91,39 5.133,40 4.055,41 4.124,42 6.187,43 4.012,44 4.897,45 5.129,46 4.015,47 4.1,48 5.964,49 3.989,50 4.878,51 5.092,52 3.968,53 4.048,54 6.037,55 3.945,56 0.133,57 0.819,58 12.327,59 5.548,60 26.49,61 6.133,62 0.454,63 1.299,64 19.943,65 9.131,66 80.418,67 10.72,68 0.481,69 1.642,70 32.104,71 12.709,72 83.944,73 14.476,74 0.677,75 1.625,76 37.19,77 13.051,78 123.213,79 15.43,80 0.463,81 1.491,82 28.787,83 11.485,84 83.976,85 14.003,86 0.748,87 1.602,88 33.646,89 12.662,90 137.703,91 16.112,92 0.48,93 1.544,94 31.907,95 12.223,96 88.555,97 15.553,98 0.642,99 1.533,100 35.976,101 12.132,102 117.752,103 13.967,104 29,105 45,106 0.282,107 0.591,108 0.754,109 0.864,110 0.878,111 0.885,112 3.471,113 1.025,114 -4.07,115 -4.01,116 -3.8,118 42.6,120 4,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 18,181 1,186 7,191 4,194 17,195 1,198 8,203 5,206 13,207 2,210 6,215 4,218 12,219 2,222 8,227 5,229 10,230 3,234 10,239 5,242 10,243 1,247 8,252 2,253 1,255 9,256 1,259 5,260 1,262 2,263 1,264 2,267 10,268 1,270 1873,271 20.402,272 20.402,273 20.402,274 20.402,275 20.402,276 17.709,277 20.379,278 12.26,279 20.705,280 16.328,281 16.328,282 16.328,283 16.328,284 16.328,285 12.219,286 21.319,287 5.909,288 16.847,289 4.039,290 2.158,291 1.163,292 0.495,293 0.407,294 0.37,295 4.152,299 1,300 1,301 817,302 4.243,306 351.291,313 1.788,314 47.807,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 68.5,326 390,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.064,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.507,349 2.515,350 3.435,352 7.187,353 2.495,354 3.835,355 2.875,356 5.15,357 3.352,358 2.401,359 3.393,361 6.323,362 2.277,363 3.568,364 2.75,365 5.037,366 3.264,367 2.262,368 2.757,370 6.105,371 2.247,372 3.351,373 2.403,374 4.86,375 3.029,376 2.033,377 2.601,379 5.594,380 2.018,381 3.297,382 2.155,383 4.727,384 2.921,385 1.925,386 2.535,388 4.973,389 1.911,390 3.08,391 1.881,392 4.586,393 2.601,394 1.64,395 2.289,397 4.754,398 1.557,399 2.849,400 1.486,401 3.589,402 2.368,403 1.401,404 2,406 3.025,407 1.353,408 2.5,409 1.295,410 3.516,411 2.051,412 1.087,413 1.5,415 2.44,416 1.045,417 2.5,418 1.054,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.254,427 1,428 3.247,429 1.956,430 1,431 1.215,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.606,446 2.979,447 0.991,453 1.138,454 0.419,455 2.865,456 0.904,457 -0.062,458 -0.07,460 -0.157,461 -0.058,462 14.752,463 0.476,464 0.857,465 0.028,466 41,467 1.323,468 22.5,469 0.726,470 18.5,471 0.597,472 25.019,473 0.807,474 33.848,475 0.627,476 33.272,477 1.073,478 8.123,479 0.262,480 6.692,481 0.216,482 0.11,483 0.056,484 0.237,486 1,487 0.565,488 1.076,489 0.802,490 1.157,491 0.643,492 0.932,493 0.501,494 1.014,495 0.871,496 1.038,497 0.477,498 1.036,499 0.931,500 1.095,501 1.207,502 1.196,503 0.904,504 1.156,505 1.017,506 0.875,507 1.131,508 0.992,509 1.013,510 0.999,511 0.764,512 0.944,513 0.88,514 1.031,515 0.812,516 1.113,517 0.528,518 0.855,519 0.83,520 0.964,521 0.507,522 0.985,523 0.709,524 0.868,525 0.774,526 0.899,527 0.705,528 0.961,529 1.1,530 0.925,531 1.233,532 1.071,533 1.049,534 1.01,535 8,536 0.256,537 2.889,538 2,539 1.267,540 0.965,541 0.69,542 0.462,543 0.353,544 0.314,545 13115,546 44931,547 2.004,548 42.6,549 4,550 11,552 2,553 2,554 2,555 2,558 1.739,559 1.869,560 3.599,561 0.225,563 1,567 92.68,568 1.716,569 3.596,570 4.592,571 5.259,572 5.347,573 5.385,574 3.011,575 4.503,576 4.924,577 3.783,578 1759.18,579 8.618,580 26370.6,582 1,584 1,585 310.764,586 1.525,587 4.873,588 0.242,589 0.008,590 0.064,591 0.047,592 0.032,593 0.025,594 0.017,595 0.012,596 0.01,597 0.009,598 0.466,599 0.33,600 1,601 1.064,602 163.201,603 0.024,604 -0.031,605 0.165,606 -0.015,607 -0.093,608 0.047,609 0.204,610 -0.018,611 0.001,612 -0.03,613 0.212,614 -0.073,615 -0.111,616 -0.105,617 -0.177,618 -0.131,619 -0.08,620 -0.154,621 -0.135,622 0.015,623 -0.103,624 0.011,625 -0.103,626 0.004,627 -0.052,628 -0.117,629 -0.026,630 -0.098,631 -0.071,632 -0.123,633 0.214,634 0.027,635 0.103,636 0.001,637 0.22,638 0.036,639 -0.005,640 -0.03,641 0.118,642 0.029,643 -0.014,644 0.055,645 -0.153,646 -0.007,647 -0.133,648 -0.036,649 -0.127,650 -0.017,651 4.657,652 5.38,653 0.581,654 34.341,655 1.015,656 1.123,657 2.837,658 8.046,659 0.681,660 3.526,661 3.829,662 3.97,663 4.159,664 4.357,665 4.394,666 4.419,667 4.489,668 4.564,669 4.635,670 7.547,671 0.653,672 442.55,673 3.526,674 5.056,675 5.861,676 6.718,677 7.542,678 8.403,679 9.235,680 10.1,681 10.936,682 11.802,683 3.7,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 54,726 21,727 2,728 33,730 56,731 23,733 17,734 5,735 7,739 3,740 3,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,770 1,772 23,773 7,774 2,775 8,776 1,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,838 1,840 31,844 1,845 1,846 5,847 1,861 1,862 7.4,864 1,865 3,869 16.583,870 9.376,871 6.792,872 3.094,874 2.92,875 1.403,876 0.964,877 7.646,878 10.171,879 3.829,880 4.425,881 4.842,882 5.332,883 5.829,884 5.948,885 6.125,886 6.349,887 6.664,888 6.959,889 1,890 43,891 11.755,893 5.264,894 8.164,895 21.433,897 17.543,899 2.664,900 82.583,903 1,904 247.193,905 145.756,906 33.191,908 112.141,909 14.96,910 5.807,911 139.949,912 359.334,913 48.151,915 12.244,916 107.499,917 153.379,918 41.509,919 14.96,920 223.651,922 247.193,923 173.139,924 127.101,925 5.807,927 238.611,928 135.683,931 46.744,932 109.61,933 22.593,935 262.153,936 145.332,937 145.756,939 5.807,940 247.193,941 36.568,942 103.381,943 16.405,944 143.887,945 247.193,946 160.292,947 145.756,949 0.579,950 0.306,951 0.152,952 0.088,953 19,954 9,955 0.179,956 10,958 1,959 4.255,960 260.118,962 18,963 147.58,967 1,968 22.769,969 10.409,970 7.077,972 160.292,973 17.81,974 4.118,978 3.33,980 59.088,981 553.241,982 45,986 -3.74,987 35.724,991 -0.869,994 54.822,995 60.661,996 0.298,997 0.625,998 0.798,999 0.914,1000 0.929,1001 0.936,1002 5.047,1003 1.64,1004 5.861,1005 4.973,1006 4.511,1007 5.112,1008 2.35,1009 6.637,1010 4.449,1011 6.272,1012 1.401,1013 7.405,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 4.056,1020 7.601,1021 1.087,1022 9.064,1023 3.025,1024 6.12,1025 7.365,1026 3.64,1027 10.719,1028 5.971,1029 8.97,1030 1,1031 10.798,1032 2.44,1033 6.608,1034 8.166,1035 4.112,1036 12.731,1037 6.334,1038 10.375,1039 1,1040 12.588,1041 2.275,1042 8.054,1043 9.967,1044 5.203,1045 15.346,1046 7.77,1047 11.807,1048 0.555,1049 14.42,1050 2.136,1051 8.918,1052 11.144,1053 5.889,1054 17.698,1055 8.494,1056 13.263,1058 16.287,1059 1.251,1060 10.19,1061 12.776,1062 6.849,1063 20.232,1064 9.73,1065 3.374,1066 -0.062,1067 18.181,1069 11.236,1070 14.14,1071 7.625,1072 22.696,1073 10.639,1074 2.856,1075 12.404,1076 20.096,1077 -0.157,1078 12.449,1079 15.708,1080 8.526,1081 25.215,1082 11.789,1083 2.515,1084 8.482,1085 22.029,1086 4.697,1087 13.581,1088 17.162,1089 9.342,1090 27.714,1091 12.793,1092 2.401,1093 7.187,1094 23.974,1095 3.858,1096 14.779,1097 18.707,1098 10.216,1099 30.23,1100 13.907,1101 2.262,1102 6.323,1103 25.93,1104 3.435,1105 15.95,1106 20.206,1107 11.051,1108 32.742,1109 14.959,1110 2.033,1111 6.105,1112 27.893,1113 3.393,1114 17.149,1115 21.746,1116 11.912,1117 35.258,1118 16.062,1119 1.925,1120 5.594,1121 29.862,1122 2.757,1123 18.339,1124 23.267,1125 12.755,1126 37.774,1127 17.138,1128 12858,1129 23991,1130 21.553,1131 36.79,1132 48.484,1133 50.106,1134 49.19,1135 48.259,1136 48.099,1137 64.833,1138 6.042,1139 133.898,1140 46.654,1141 5.748,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.064,1150 16.834,1151 1.469,1152 1.518,1153 1.491,1154 1.462,1155 1.458,1156 1.965,1157 0.183,1158 4.058,1159 1.414,1160 4.086,1161 4.081,1162 4.735,1163 4.065,1164 8.201,1165 3.99,1166 3.991,1167 4.003,1168 3.945,1169 3.945,1170 7.717,1171 3.924,1172 3.827,1173 3.868,1174 3.761,1175 3.735,1176 7.474,1177 3.735,1178 3.672,1179 3.693,1180 3.723,1181 3.56,1182 6.999,1183 3.512,1184 3.578,1185 3.595,1186 3.496,1187 3.411,1188 6.351,1189 3.409,1190 3.345,1191 3.377,1192 3.239,1193 3.219,1194 4.904,1195 3.194,1196 3.154,1197 3.195,1198 3.039,1199 2.986,1200 4.686,1201 2.99,1202 2.93,1203 2.982,1204 2.783,1205 2.735,1206 4.583,1207 2.732,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.064,1226 1.997,1227 1.979,1228 2.106,1229 2.076,1230 1.341,1231 2.096,1232 1.945,1233 1.948,1234 1.965,1235 2.019,1236 1.174,1237 2.049,1238 1.813,1239 1.777,1240 1.943,1241 1.933,1242 1.095,1243 1.939,1244 1.587,1245 1.553,1246 1.798,1247 1.783,1248 1.062,1249 1.794,1250 1.486,1251 1.471,1252 1.654,1253 1.683,1254 0.817,1255 1.689,1256 1.286,1257 1.269,1258 1.386,1259 1.444,1260 0.572,1261 1.484,1262 1.113,1263 1.072,1264 1.181,1265 1.331,1266 0.474,1267 1.335,1268 0.886,1269 0.827,1270 1.181,1271 1.146,1272 0.246,1273 1.146,1274 4.205,1276 5.509,1278 6.991,1280 8.553,1282 10.158,1286 13.037,1289 8.997,1290 1.649,1291 2.528,1300 35.267,1301 92.68,1302 194.207,1303 247.97,1304 284.009,1305 288.764,1306 290.764,1307 90.372,1308 7.251,1309 96.36,1310 104.74,1311 18,1312 12.355,1313 4.459,1314 3.7,1315 58.064,1316 137,1317 147,1318 0.197,1319 221.843,1320 392.02,1321 533.056,1322 13874,1323 1.9,1324 22.269,1325 0.718,1326 0.568,1327 21.649,1328 17.608,1329 14.815,1330 0.449,1331 0.342,1332 9.805,1333 13.508,1334 9.479,1335 7.84,1336 15.242,1337 11.277,1338 13.854,1339 0.308,1340 0.199,1341 14.555,1342 8.958,1343 10.098,1344 0.194,1345 0.119,1346 10.795,1347 6.178,1348 7.922,1349 0.126,1350 0.068,1351 8.638,1352 4.278,1353 6.286,1354 0.082,1355 0.039,1356 6.82,1357 2.966,1358 0.314,1359 101.046,1360 0.215,1361 29.499,1362 0.529,1363 156,1364 560.306,1365 208.222,1366 535.891,1367 695.04,1368 490,1369 175,1370 452.653,1371 231.126,1372 490.579,1373 700.1,1374 458,1375 7.699} {0 CHEMBL115420,1 1.726,2 7.842,3 2.742,4 7.521,5 65.582,6 9.147,7 0.714,8 3.528,9 3.64,10 3.249,11 3.044,12 4.766,13 3.083,14 4.074,15 4.224,16 3.723,17 3.439,18 5.897,19 3.472,20 4.158,21 4.332,22 3.534,23 3.492,24 5.43,25 3.462,26 4.293,27 4.525,28 3.468,29 3.394,30 5.581,31 3.375,32 4.088,33 4.317,34 3.386,35 3.206,36 5.449,37 3.199,38 3.962,39 4.191,40 3.244,41 3.037,42 5.35,43 3.056,44 3.634,45 3.871,46 2.718,47 2.705,48 4.866,49 2.664,50 3.453,51 3.728,52 2.505,53 2.259,54 4.895,55 2.267,56 0.162,57 0.684,58 3.616,59 2.489,60 24.609,61 2.521,62 0.789,63 1.383,64 8.851,65 4.155,66 125.655,67 4.099,68 0.359,69 1.099,70 9.432,71 5.341,72 35.148,73 6.083,74 0.694,75 1.126,76 15.731,77 5.74,78 91.168,79 6.398,80 0.589,81 0.932,82 12.662,83 4.41,84 63.858,85 5.384,86 0.484,87 0.865,88 11.094,89 3.934,90 59.16,91 4.348,92 0.351,93 0.546,94 8.15,95 2.96,96 51.443,97 3.391,98 0.517,99 0.44,100 8.87,101 2.156,102 61.668,103 2.348,104 11,105 31,106 0.328,107 0.692,108 0.834,109 0.878,110 0.878,111 0.878,112 3.011,113 0.81,114 -3.72,115 -3.69,116 -3.51,118 44.8,124 1,131 1,140 3,141 3,143 1,149 2,150 1,156 1,168 5,171 1,172 1,177 3,180 5,186 1,191 2,194 4,198 2,201 1,203 1,206 1,210 3,222 2,225 1,234 2,247 1,270 384,271 12.488,272 12.488,273 12.488,274 12.488,275 12.488,276 10.776,277 12.836,278 7.202,279 12.97,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 7.818,286 17.711,287 3.44,288 11.239,289 3.132,290 1.212,291 0.466,292 0.233,293 0.233,294 0.233,295 3.682,299 1,300 1,301 319,302 3.082,305 86.585,306 45.14,309 70.442,313 1.535,314 30.234,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 44,326 149,327 4.604,328 4.461,329 7.121,330 4.224,331 3.338,332 4.516,333 3.825,334 11.722,335 3.083,336 4.321,337 3.179,338 6.528,339 3.98,340 3.034,341 3.625,342 0.522,343 10.276,344 2.76,345 3.914,346 2.647,347 5.456,348 3.438,349 2.52,350 3.462,352 7.254,353 2.306,354 3.322,355 2.15,356 5.031,357 2.889,358 1.936,359 2.608,361 5.824,362 1.824,363 3.041,364 1.752,365 4.529,366 2.536,367 1.588,368 2.272,370 4.414,371 1.488,372 2.736,373 1.438,374 4.188,375 2.285,376 1.335,377 1.819,379 3.678,380 1.249,381 2.553,382 1.176,383 3.43,384 2.042,385 1.112,386 1.576,388 2.523,389 1.03,390 2.118,391 0.683,392 3.216,393 1.58,394 0.626,395 0.927,397 1.508,398 0.595,399 2.088,400 0.618,401 3,402 1.553,403 0.618,404 0.904,406 1.372,407 0.577,408 1.074,409 0.51,410 2.85,411 0.724,412 -0.229,413 -0.29,415 -0.633,416 -0.218,417 0.751,418 0.51,419 2.59,420 0.284,421 -0.692,422 -0.94,424 -2.024,425 -0.671,426 0.522,427 -0.005,428 2.204,429 0.064,430 -0.897,431 -1,433 -2.436,434 -0.7,435 0.021,436 -0.485,437 2,438 -0.3,439 -1,440 -1,442 -3,443 -0.7,445 -0.826,446 2,447 -0.3,448 -1,449 -1.248,451 -3,452 -0.859,454 -1.17,455 2,456 -0.434,457 -1.39,458 -1.781,460 -3.433,461 -1.327,462 8.557,463 0.45,464 0.634,465 0.033,466 25,467 1.316,468 12,469 0.632,470 13,471 0.684,472 11.937,473 0.628,474 20.843,475 0.719,476 17.556,477 0.924,478 5.244,479 0.276,480 3.794,481 0.2,482 0.1,483 0.058,484 0.28,485 3,487 0.586,488 0.994,489 0.572,490 1.012,491 0.571,492 0.865,493 0.459,494 0.633,495 0.697,496 0.783,497 0.339,498 0.828,499 0.555,500 0.958,501 0.879,502 1.304,503 0.479,504 1.306,505 1.008,506 0.948,507 1.102,508 0.994,509 0.967,510 1.058,511 0.763,512 0.816,513 0.878,514 0.931,515 0.814,516 0.965,517 1.043,518 1.062,519 0.985,520 1.002,521 0.981,522 0.968,523 0.992,524 0.991,525 1.178,526 1.123,527 1.004,528 1.207,529 1.519,530 0.755,531 1.414,532 0.566,533 1.823,534 0.793,535 5,536 0.06,537 2.444,538 1.451,539 0.803,540 0.691,541 0.344,542 0.137,543 0.158,544 0.095,545 3257,546 12854,547 2.069,548 34.5,550 5,551 2,552 2,553 1,558 1.601,559 1.916,560 2.968,561 -0.198,563 1,564 1,565 1,567 50.047,568 1.726,569 3.646,570 4.392,571 4.625,572 4.625,573 4.625,574 2.42,575 3.432,576 4.217,577 3.139,578 536.703,579 7.173,580 5193.22,582 1,584 1,585 140.881,586 1.638,587 4.16,588 0.238,589 0.01,590 0.079,591 0.056,592 0.035,593 0.033,594 0.019,595 0.014,596 0.023,597 0.012,598 0.518,599 1,600 1,601 0.868,602 81.934,603 -0.056,604 -0.131,605 0.019,606 -0.059,607 -0.089,608 -0.001,609 0.376,610 0.364,611 0.058,612 0.163,613 0.469,614 0.025,615 0.009,616 -0.191,617 -0.096,618 -0.326,619 0.057,620 -0.301,621 -0.136,622 -0.091,623 -0.09,624 -0.036,625 -0.107,626 -0.032,627 0.077,628 0.019,629 0.126,630 0.013,631 -0.004,632 0.056,633 -0.126,634 -0.183,635 0.038,636 -0.062,637 -0.082,638 0.034,639 -0.133,640 -0.162,641 -0.143,642 -0.163,643 -0.154,644 -0.157,645 -0.066,646 0.382,647 -0.114,648 0.398,649 -0.333,650 0.213,651 5.566,652 4.601,653 0.737,654 14.454,655 1.044,656 1.158,657 2.495,658 6.224,659 0.677,660 3.091,661 3.466,662 3.689,663 3.932,664 4.06,665 4.22,666 4.394,667 4.382,668 4.304,669 4.248,670 4.9,671 0.684,672 265.26,673 3.091,674 4.654,675 5.501,676 6.399,677 7.268,678 8.166,679 9.044,680 9.943,681 10.827,682 11.727,683 10.3,691 2,693 1,698 2,699 7,700 1,701 1,704 2,705 1,706 15,724 29,726 15,727 1,728 21,730 31,731 13,733 11,734 3,735 3,739 3,740 4,745 1,750 1,753 11,754 2,769 1,770 3,772 10,773 4,774 1,775 6,778 1,779 3,784 0.667,797 1,801 2,802 1,805 1,832 2,838 3,840 19,846 1,852 1,861 3,869 9.917,870 5.162,871 3.972,872 1.571,874 2.828,875 1.428,876 1.046,877 2.774,878 9.43,879 3.384,880 4.052,881 4.663,882 5.282,883 5.697,884 6.132,885 6.609,886 6.931,887 7.016,888 7.264,889 1,890 26,891 7.369,893 3.575,894 8.39,895 12.737,897 10.544,899 2.89,900 54.917,904 105.94,905 85.143,906 35.47,909 44.88,911 85.143,912 105.94,913 80.35,915 2.106,916 46.524,917 48.946,918 81.556,919 25.686,920 58.856,921 7.76,922 105.94,923 120.613,924 44.88,927 105.94,928 44.88,931 46.216,932 57.612,933 16.786,935 150.82,936 35.47,937 85.143,940 113.699,941 13.194,942 66.089,943 16.786,944 61.666,945 105.94,946 80.35,947 85.143,949 0.601,950 0.331,951 0.167,952 0.081,953 17,954 7,955 0.065,956 2,957 1,958 1.143,959 3.143,960 142.057,961 0.143,962 14,963 75.956,968 12.154,969 4.337,970 2.327,971 1.284,972 61.666,973 10.606,974 3.933,975 2.879,978 0.29,979 1.861,980 16.786,981 271.433,982 28.5,994 30.262,995 33.59,996 0.355,997 0.75,998 0.904,999 0.952,1000 0.952,1001 0.952,1002 4.632,1003 0.626,1004 5.549,1005 2.523,1006 4.143,1007 4.736,1008 3.063,1009 6.418,1010 4.001,1011 5.888,1012 0.618,1013 7.155,1014 1.508,1015 4.007,1016 4.663,1017 3.903,1018 7.662,1019 3.68,1020 7.231,1021 -0.229,1022 8.877,1023 1.372,1024 5.861,1025 7.026,1026 5.421,1027 10.651,1028 5.564,1029 8.613,1030 -0.692,1031 10.668,1032 -0.633,1033 6.524,1034 7.791,1035 6.69,1036 12.67,1037 6.05,1038 10.027,1039 -0.897,1040 12.503,1041 -2.024,1042 7.92,1043 9.625,1044 8.058,1045 15.266,1046 7.444,1047 11.463,1048 -1,1049 14.367,1050 -2.436,1051 8.895,1052 10.775,1053 9.388,1054 17.551,1055 8.276,1056 12.915,1057 -1,1058 16.251,1059 -3,1060 10.142,1061 12.4,1062 10.734,1063 20.035,1064 9.487,1065 3.338,1066 -1.39,1067 18.15,1068 -3,1069 11.24,1070 13.735,1071 12.074,1072 22.416,1073 10.471,1074 3.034,1075 11.722,1076 20.06,1077 -3.433,1078 12.439,1079 15.277,1080 13.416,1081 24.868,1082 11.613,1083 2.52,1084 10.276,1085 21.979,1086 4.516,1087 13.587,1088 16.7,1089 14.758,1090 27.286,1091 12.664,1092 1.936,1093 7.254,1094 23.904,1095 3.625,1096 14.773,1097 18.213,1098 16.1,1099 29.731,1100 13.781,1101 1.588,1102 5.824,1103 25.834,1104 3.462,1105 15.942,1106 19.677,1107 17.441,1108 32.165,1109 14.864,1110 1.335,1111 4.414,1112 27.768,1113 2.608,1114 17.126,1115 21.18,1116 18.783,1117 34.609,1118 15.974,1119 1.112,1120 3.678,1121 29.706,1122 2.272,1123 18.306,1124 22.665,1125 20.124,1126 37.052,1127 17.072,1128 3202,1129 6484,1130 13.811,1131 19.637,1132 32.966,1133 31.658,1134 31.857,1135 32.423,1136 32.215,1137 43.419,1138 8.694,1139 97.142,1140 29.826,1141 5.389,1142 6.461,1143 6.735,1144 5.283,1145 5.338,1146 7.516,1147 5.335,1148 18.832,1149 5.083,1150 8.979,1151 1.57,1152 1.508,1153 1.517,1154 1.544,1155 1.534,1156 2.068,1157 0.414,1158 4.626,1159 1.42,1160 4.147,1161 4.182,1162 4.109,1163 4.056,1164 8.513,1165 4.065,1166 3.878,1167 3.943,1168 3.825,1169 3.674,1170 7.999,1171 3.704,1172 3.562,1173 3.606,1174 3.557,1175 3.379,1176 7.999,1177 3.402,1178 3.115,1179 3.177,1180 3.059,1181 2.879,1182 4.996,1183 2.892,1184 3.032,1185 3.114,1186 2.902,1187 2.787,1188 4.896,1189 2.822,1190 2.681,1191 2.762,1192 2.531,1193 2.448,1194 4.229,1195 2.461,1196 2.469,1197 2.57,1198 2.259,1199 2.269,1200 3.819,1201 2.254,1202 2.314,1203 2.391,1204 2.178,1205 2.115,1206 3.536,1207 2.131,1208 0.219,1209 0.212,1210 0.339,1211 0.201,1212 0.159,1213 4.604,1214 0.215,1215 4.461,1216 0.182,1217 7.121,1218 0.558,1219 4.224,1220 0.147,1221 3.338,1222 4.516,1223 3.825,1224 11.722,1225 3.083,1226 1.952,1227 1.932,1228 2.026,1229 2.039,1230 1.214,1231 2.034,1232 1.664,1233 1.607,1234 1.809,1235 1.874,1236 0.981,1237 1.859,1238 1.364,1239 1.302,1240 1.538,1241 1.599,1242 0.566,1243 1.579,1244 1.272,1245 1.196,1246 1.443,1247 1.525,1248 0.404,1249 1.509,1250 1.152,1251 1.115,1252 1.226,1253 1.453,1254 0.307,1255 1.362,1256 0.845,1257 0.783,1258 1.099,1259 1.076,1260 0.158,1261 1.092,1262 0.556,1263 0.456,1264 0.938,1265 0.848,1266 0.05,1267 0.882,1268 0.388,1269 0.311,1270 0.607,1271 0.701,1273 0.713,1274 3.761,1276 5.118,1277 3.045,1278 6.645,1279 5.283,1280 8.251,1281 7.273,1282 9.902,1286 37.804,1290 0.575,1296 -4.316,1300 19.848,1301 50.047,1302 105.72,1303 127.372,1304 134.127,1305 134.127,1306 134.127,1307 31.376,1308 6.603,1309 33.61,1310 33.61,1311 16,1312 12.252,1313 4,1314 3.087,1315 27.883,1316 56,1317 46,1318 0.257,1319 119.704,1320 199.05,1321 283.837,1322 5453,1323 10.3,1324 13.458,1325 0.708,1326 0.515,1327 10.958,1328 9.777,1329 9.038,1330 0.43,1331 0.27,1332 5.529,1333 8.502,1334 5.477,1335 4.487,1336 7.826,1337 5.668,1338 9.024,1339 0.291,1340 0.139,1341 7.066,1342 4.307,1343 6.891,1344 0.177,1345 0.077,1346 5.928,1347 3.007,1348 5.636,1349 0.113,1350 0.041,1351 5.084,1352 2.07,1353 4.021,1354 0.071,1355 0.022,1356 3.56,1357 1.266,1358 0.393,1359 58.043,1360 0.269,1361 18.895,1362 0.732,1363 104,1364 483.956,1365 126.262,1366 389.401,1367 504.2,1368 360,1369 122,1370 350.901,1371 138.666,1372 338.64,1373 512.08,1374 316,1375 5.337} {0 CHEMBL115636,1 1.67,2 10.333,3 2.299,4 5.284,5 104.786,6 7.53,7 0.429,8 4.022,9 4.131,10 3.737,11 3.548,12 5.103,13 3.501,14 4.567,15 4.747,16 3.975,17 3.921,18 5.89,19 3.84,20 4.792,21 4.975,22 3.905,23 4.084,24 5.889,25 3.958,26 4.961,27 5.21,28 3.764,29 4.043,30 6.002,31 3.91,32 4.753,33 4.97,34 3.825,35 4.023,36 5.756,37 3.893,38 4.867,39 5.115,40 3.886,41 4.048,42 5.848,43 3.912,44 4.856,45 5.104,46 3.927,47 4.006,48 5.88,49 3.887,50 4.812,51 5.026,52 3.847,53 3.943,54 5.937,55 3.823,56 0.12,57 0.767,58 14.319,59 4.926,60 21.368,61 6.376,62 0.603,63 1.173,64 23.186,65 8.269,66 80.056,67 10.831,68 0.332,69 1.398,70 33.587,71 11.753,72 64.6,73 14.435,74 0.733,75 1.433,76 37.395,77 11.444,78 126.25,79 15.393,80 0.26,81 1.311,82 26.536,83 10.5,84 48.214,85 14.195,86 0.337,87 1.398,88 33.202,89 11.761,90 62.007,91 15.905,92 0.372,93 1.371,94 31.92,95 10.853,96 64.457,97 14.821,98 0.456,99 1.314,100 34.023,101 10.503,102 83.953,103 13.3,104 51,105 38,106 0.281,107 0.589,108 0.766,109 0.84,110 0.856,111 0.862,112 3.339,113 1.082,114 -3.22,115 -3.21,116 -3.08,118 36.5,120 4,123 2,124 1,140 5,141 4,143 2,154 1,163 1,167 1,168 13,169 1,171 3,172 3,175 4,177 2,180 16,181 1,186 3,191 2,194 15,195 1,198 5,203 3,206 13,207 2,210 7,215 4,218 10,219 2,222 10,227 5,229 6,230 3,234 12,239 5,242 4,243 1,247 11,252 2,253 1,255 1,256 1,259 7,260 1,262 2,263 1,264 2,268 1,270 1270,271 17.386,272 17.386,273 17.386,274 17.386,275 17.386,276 15.416,277 21.737,278 10.42,279 17.527,280 13.828,281 13.828,282 13.828,283 13.828,284 13.828,285 10.702,286 27.146,287 4.992,288 14.038,289 4.03,290 2.193,291 1.142,292 0.697,293 0.606,294 0.567,295 4.001,299 1,300 1,301 562,302 4.472,306 200.67,313 1.654,314 35.31,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 59.5,326 279,327 4.772,328 3.6,329 7.206,330 4.318,331 3.331,332 4.546,333 2.341,334 11.924,335 3.289,336 4.222,337 3.391,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.082,347 5.407,348 3.507,349 2.514,350 3.435,351 0.4,352 7.187,353 2.495,354 3.568,355 2.749,356 5.038,357 3.265,358 2.262,359 2.757,361 6.107,362 2.252,363 3.351,364 2.397,365 4.86,366 3.03,367 2.034,368 2.601,370 5.593,371 2.021,372 3.297,373 2.152,374 4.587,375 2.921,376 1.925,377 2.535,379 4.973,380 1.911,381 2.849,382 1.751,383 4.392,384 2.409,385 1.473,386 2,388 3.456,389 1.378,390 2.559,391 1.484,392 3.588,393 2.362,394 1.397,395 1.54,397 3.024,398 1.344,399 2.5,400 1.221,401 3.377,402 1.996,403 1.035,404 1.5,406 2.299,407 0.991,408 2.229,409 1.05,410 3.247,411 1.956,412 1,413 1.167,415 2.136,416 0.953,417 1.779,418 1,419 3,420 1.56,421 0.555,422 0.636,424 1.251,425 0.552,426 1.295,427 0.421,428 2.872,429 0.991,435 1.135,436 0.253,437 2.821,438 0.887,439 -0.089,440 -0.103,442 -0.232,443 -0.087,444 1,445 0.137,446 2.199,447 0.436,448 -0.568,449 -0.697,451 -1.548,452 -0.561,453 0.806,454 -0.178,455 2.136,456 0.282,457 -0.705,458 -0.919,460 -1.809,461 -0.694,462 12.867,463 0.477,464 0.827,465 0.031,466 32.75,467 1.213,468 16.5,469 0.611,470 16.25,471 0.602,472 23.069,473 0.854,474 30.933,475 0.595,476 26.09,477 0.966,478 6.476,479 0.24,480 6.283,481 0.233,482 0.181,483 0.065,484 0.225,487 0.614,488 1.518,489 0.86,490 1.375,491 0.698,492 1.078,493 0.479,494 0.86,495 0.878,496 0.884,497 0.431,498 0.924,499 0.935,500 1.311,501 1.467,502 1.484,503 0.908,504 1.294,505 1.293,506 0.745,507 1.017,508 0.753,509 1.328,510 0.9,511 0.652,512 1.116,513 0.829,514 1.041,515 0.612,516 1.146,517 0.638,518 1.035,519 0.805,520 0.984,521 0.589,522 0.961,523 0.791,524 0.992,525 0.732,526 0.877,527 0.761,528 0.906,529 1.211,530 1.223,531 1.28,532 1.243,533 1.163,534 1.143,535 7.5,536 0.256,537 2.444,538 1.5,539 1.004,540 0.694,541 0.67,542 0.45,543 0.382,544 0.282,545 8168,546 26929,547 1.925,548 48.1,549 4,550 13,552 2,553 2,554 2,555 2,558 1.705,559 1.77,560 3.356,561 0.304,562 1,563 1,567 86.861,568 1.67,569 3.508,570 4.558,571 5.003,572 5.094,573 5.133,574 2.712,575 4.385,576 4.723,577 3.562,578 1250.28,579 8.227,580 16996.3,582 1,584 1,585 296.423,586 1.632,587 4.655,588 0.268,589 0.011,590 0.064,591 0.042,592 0.032,593 0.021,594 0.019,595 0.013,596 0.012,597 0.01,598 0.493,599 0.33,600 1,601 1.845,602 135.224,603 0.059,604 -0.231,605 0.21,606 -0.124,607 -0.118,608 -0.003,609 0.355,610 0.304,611 0.071,612 0.146,613 0.299,614 0.068,615 -0.128,616 -0.213,617 -0.324,618 -0.282,619 -0.076,620 -0.242,621 -0.239,622 0.178,623 -0.118,624 0.141,625 -0.21,626 0.056,627 -0.025,628 -0.105,629 -0.041,630 -0.083,632 -0.117,633 0.033,634 -0.081,635 0.1,636 0.002,637 0.052,638 0.068,639 -0.005,640 -0.033,641 0.146,642 0.052,643 -0.006,644 0.089,645 -0.165,646 -0.205,647 -0.181,648 -0.182,649 -0.14,650 -0.159,651 4.378,652 4.816,653 0.444,654 28.628,655 1.008,656 1.131,657 1.987,658 3.948,659 0.651,660 3.367,661 3.664,662 3.761,663 3.871,664 4.06,665 4.111,666 4.234,667 4.344,668 4.407,669 4.394,670 6.695,671 0.614,672 391.54,673 3.367,674 4.89,675 5.68,676 6.526,677 7.339,678 8.188,679 9.01,680 9.861,681 10.688,682 11.541,683 5.8,685 1,686 1,693 1,699 7,700 1,704 4,706 12,724 52,726 15,727 1,728 28,730 53,731 19,733 11,734 3,735 3,739 2,740 2,751 4,753 12,754 7,756 3,760 1,761 3,765 1,769 1,772 25,773 7,774 2,775 8,776 1,779 3,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 2,840 27,844 1,845 1,846 5,847 1,851 1,862 7.7,864 1,865 3,869 15.25,870 9.6,871 5.958,872 2.894,874 2.282,875 1.338,876 0.927,877 7.633,878 9.036,879 3.638,880 4.205,881 4.527,882 4.938,883 5.43,884 5.545,885 5.858,886 6.244,887 6.551,888 6.792,889 0.857,890 36,891 10.176,893 4.368,894 8.065,895 18.823,897 15.008,899 2.565,900 69.25,904 270.735,905 113.734,906 34.709,908 112.141,910 5.569,911 108.165,912 382.877,913 34.709,914 16.793,915 12.244,916 69.355,917 153.379,918 32.356,920 247.193,922 270.735,923 142.874,924 112.141,925 5.569,927 247.193,928 135.683,931 48.262,932 77.826,933 22.354,935 270.735,936 146.85,937 113.734,939 5.569,940 270.735,941 25.896,942 83.787,943 16.405,944 128.927,945 270.735,946 146.85,947 113.734,949 0.581,950 0.304,951 0.133,952 0.075,953 15,954 8,955 0.189,956 10,958 1,959 3.825,960 208.3,962 12,963 124.382,967 1,968 21.199,969 9.722,970 7.198,972 146.85,973 13.358,974 4.119,978 4.019,980 59.088,981 531.319,982 37,986 -3.461,987 34.521,991 -0.84,994 52.411,995 58.82,996 0.293,997 0.615,998 0.8,999 0.878,1000 0.894,1001 0.9,1002 4.86,1003 1.397,1004 5.694,1005 3.456,1006 4.344,1007 4.89,1008 2.38,1009 6.466,1010 4.317,1011 6.083,1012 1.035,1013 7.246,1014 3.024,1015 4.111,1016 4.977,1017 2.243,1018 7.624,1019 4.088,1020 7.416,1021 1,1022 8.916,1023 2.299,1024 5.964,1025 7.132,1026 3.641,1027 10.545,1028 5.924,1029 8.79,1030 0.555,1031 10.66,1032 2.136,1033 6.509,1034 7.996,1035 4.112,1036 12.56,1037 6.468,1038 10.201,1040 12.458,1041 1.251,1042 7.918,1043 9.732,1044 5.203,1045 15.123,1046 7.863,1047 11.637,1048 -0.089,1049 14.296,1051 8.813,1052 10.931,1053 5.889,1054 17.447,1055 8.75,1056 13.096,1057 -0.568,1058 16.165,1059 -0.232,1060 10.065,1061 12.52,1062 6.849,1063 19.932,1064 9.988,1065 3.331,1066 -0.705,1067 18.057,1068 -1.548,1069 11.12,1070 13.874,1071 7.625,1072 22.358,1073 11.032,1074 2.856,1075 11.924,1076 19.968,1077 -1.809,1078 12.32,1079 15.406,1080 8.526,1081 24.831,1082 12.218,1083 2.514,1084 8.482,1085 21.894,1086 4.546,1087 13.448,1088 16.836,1089 9.342,1090 27.29,1091 13.333,1092 2.262,1093 7.187,1094 23.831,1095 3.858,1096 14.633,1097 18.347,1098 10.216,1099 29.763,1100 14.504,1101 2.034,1102 6.107,1103 25.777,1104 3.435,1105 15.795,1106 19.814,1107 11.051,1108 32.234,1109 15.652,1110 1.925,1111 5.593,1112 27.729,1113 2.757,1114 16.98,1115 21.319,1116 11.912,1117 34.71,1118 16.824,1119 1.473,1120 4.973,1121 29.686,1122 2.601,1123 18.159,1124 22.806,1125 12.755,1126 37.185,1127 17.988,1128 8382,1129 15335,1130 17.682,1131 33.858,1132 40.96,1133 41.859,1134 41.883,1135 40.769,1136 40.766,1137 53.152,1138 6.842,1139 112.863,1140 40.082,1141 5.676,1142 5.6,1143 7.008,1144 5.354,1145 5.331,1146 7.546,1147 3.925,1148 18.46,1149 5.289,1150 16.888,1151 1.463,1152 1.495,1153 1.496,1154 1.456,1155 1.456,1156 1.898,1157 0.244,1158 4.031,1159 1.431,1160 4.037,1161 4.057,1162 4.719,1163 3.971,1164 7.717,1165 3.956,1166 3.947,1167 3.938,1168 3.945,1169 3.869,1170 7.474,1171 3.758,1172 3.824,1173 3.861,1174 3.759,1175 3.732,1176 6.999,1177 3.725,1178 3.592,1179 3.625,1180 3.497,1181 3.419,1182 6.351,1183 3.423,1184 3.404,1185 3.481,1186 3.251,1187 3.238,1188 4.904,1189 3.228,1190 3.208,1191 3.26,1192 3.084,1193 3.015,1194 4.685,1195 3.007,1196 3.147,1197 3.181,1198 3.037,1199 2.958,1200 4.204,1201 2.936,1202 2.916,1203 3.009,1204 2.771,1205 2.714,1206 4.052,1207 2.713,1208 0.17,1209 0.129,1210 0.257,1211 0.154,1212 0.119,1213 4.772,1214 0.162,1215 3.6,1216 0.084,1217 7.206,1218 0.426,1219 4.318,1220 0.117,1221 3.331,1222 4.546,1223 2.341,1224 11.924,1225 3.289,1226 1.994,1227 1.969,1228 2.106,1229 2.074,1230 1.34,1231 2.089,1232 1.817,1233 1.784,1234 1.944,1235 1.955,1236 1.115,1237 1.983,1238 1.726,1239 1.733,1240 1.808,1241 1.912,1242 1.095,1243 1.929,1244 1.542,1245 1.502,1246 1.753,1247 1.749,1248 0.935,1249 1.755,1250 1.393,1251 1.325,1252 1.65,1253 1.618,1254 0.803,1255 1.634,1256 1.159,1257 1.104,1258 1.417,1259 1.366,1260 0.55,1261 1.407,1262 1.067,1263 1.038,1264 1.385,1265 1.315,1266 0.469,1267 1.322,1268 0.934,1269 0.813,1270 1.169,1271 1.239,1272 0.385,1273 1.308,1274 4.043,1276 5.342,1278 6.812,1280 8.358,1282 9.943,1284 2.946,1289 8.942,1290 1.976,1291 2.54,1295 1.129,1300 31.905,1301 86.861,1302 182.407,1303 237.039,1304 260.158,1305 264.913,1306 266.913,1307 78.857,1308 6.753,1309 99.6,1310 107.98,1311 12,1312 12.103,1313 4,1314 3.322,1315 58.08,1316 106,1317 95,1318 0.261,1319 205.245,1320 358.93,1321 492.558,1322 6861,1324 19.864,1325 0.736,1326 0.606,1327 20.114,1328 16.368,1329 12.759,1330 0.456,1331 0.361,1332 8.652,1333 11.418,1334 8.24,1335 6.898,1336 13.58,1337 10.096,1338 12.052,1339 0.317,1340 0.223,1341 13.46,1342 8.49,1343 8.54,1344 0.203,1345 0.133,1346 9.732,1347 5.58,1348 5.965,1349 0.127,1350 0.07,1351 6.388,1352 3.291,1353 4.73,1354 0.083,1355 0.039,1356 5.035,1357 2.244,1358 0.411,1359 88.567,1360 0.238,1361 26.145,1362 0.717,1363 132,1364 435.84,1365 182.749,1366 438.986,1367 570.14,1368 400,1369 146,1370 365.896,1371 199.709,1372 411.5,1373 580.38,1374 380,1375 7.658} {0 CHEMBL115805,1 1.545,2 11,3 4.18,4 17.473,5 112.669,6 7.876,7 0.581,8 4.025,9 4.112,10 3.771,11 3.676,12 5.134,13 3.611,14 4.546,15 4.679,16 4.026,17 4.05,18 5.86,19 3.962,20 4.834,21 5.012,22 4.022,23 4.182,24 5.945,25 4.055,26 4.899,27 5.115,28 3.959,29 4.139,30 5.988,31 4.005,32 4.799,33 4.991,34 3.97,35 4.123,36 5.929,37 4.004,38 4.892,39 5.118,40 3.967,41 4.129,42 5.94,43 4.002,44 4.823,45 5.036,46 3.996,47 4.113,48 5.869,49 3.99,50 4.887,51 5.092,52 3.914,53 4.061,54 6.052,55 3.943,56 0.077,57 0.676,58 12.371,59 5.633,60 20.777,61 6.36,62 0.277,63 1.108,64 20.77,65 9.318,66 72.455,67 11.101,68 0.289,69 1.432,70 31.468,71 12.681,72 72.142,73 14.873,74 0.412,75 1.487,76 34.088,77 12.988,78 90.926,79 15.762,80 0.196,81 1.371,82 29.26,83 12.134,84 53.497,85 14.866,86 0.37,87 1.471,88 32.202,89 12.632,90 84.555,91 15.895,92 0.169,93 1.424,94 32.836,95 12.882,96 51.692,97 15.864,98 0.569,99 1.447,100 34.325,101 12.095,102 123.144,103 13.879,104 20,105 42,106 0.256,107 0.542,108 0.72,109 0.849,110 0.873,111 0.879,112 3.408,113 1.072,114 -4.46,115 -4.39,116 -4.14,118 44.2,120 4,124 1,140 10,141 4,142 1,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 1,177 1,180 20,181 1,186 9,191 1,194 17,195 1,198 8,203 1,206 15,207 2,210 10,215 2,218 14,219 2,222 8,227 2,229 13,230 3,234 12,239 3,242 13,243 1,247 6,252 1,255 13,256 1,259 3,260 3,264 1,267 12,268 1,270 1524,271 19.247,272 19.247,273 19.247,274 19.247,275 19.247,276 16.579,277 18.591,278 11.696,279 19.61,280 15.362,281 15.362,282 15.362,283 15.362,284 15.362,285 11.314,286 22.133,287 5.655,288 15.94,289 4.155,290 2.427,291 1.351,292 0.567,293 0.423,294 0.385,295 4.089,299 1,300 1,301 669,302 4.062,306 319.575,313 1.586,314 38.557,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 62.5,326 319,327 4.843,328 5.246,329 7.293,330 4.236,331 3.374,332 4.694,333 2.95,334 12.405,335 2.891,336 4.22,337 3.6,338 5.833,339 3.851,340 2.852,341 3.857,342 2.341,343 8.481,344 2.83,345 3.888,346 3.089,347 5.408,348 3.505,349 2.513,350 3.435,351 0.68,352 7.187,353 2.493,354 3.573,355 2.854,356 5.062,357 3.262,358 2.26,359 3.054,361 6.12,362 2.248,363 3.552,364 2.709,365 4.911,366 3.06,367 2.073,368 2.755,370 5.616,371 2.037,372 3.333,373 2.334,374 4.832,375 2.954,376 1.96,377 2.59,379 5.306,380 1.937,381 3.297,382 2.139,383 4.586,384 2.92,385 1.925,386 2.533,388 4.97,389 1.91,390 2.848,391 1.716,392 3.677,393 2.367,394 1.4,395 2,397 3.024,398 1.352,399 2.703,400 1.481,401 3.587,402 2.195,403 1.219,404 1.777,406 2.794,407 1.181,408 2.5,409 1.063,410 3.258,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1,419 3.247,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 1.836,427 1,428 3.247,429 1.619,430 0.626,431 0.72,433 1.492,434 0.618,435 1.773,436 0.806,437 3,438 1.533,439 0.534,440 0.622,442 1.227,443 0.529,444 1.293,445 0.426,446 2.868,447 0.991,453 1,454 0.309,455 2.684,456 0.477,457 -0.512,458 -0.642,460 -1.474,461 -0.494,462 14.067,463 0.485,464 0.751,465 0.026,466 39.5,467 1.362,468 22.5,469 0.776,470 17,471 0.586,472 22.77,473 0.785,474 30.933,475 0.595,476 30.458,477 1.05,478 7.669,479 0.264,480 6.251,481 0.216,482 0.095,483 0.059,484 0.213,487 0.551,488 1.08,489 0.848,490 1.106,491 0.667,492 0.93,493 0.507,494 1.098,495 1.001,496 1.117,497 0.494,498 1.061,499 0.985,500 1.118,501 1.232,502 1.182,503 1.003,504 1.15,505 1.084,506 0.899,507 1.025,508 0.925,509 1.095,510 0.974,511 0.774,512 1.142,513 1.029,514 1.154,515 0.751,516 1.115,517 0.957,518 0.871,519 0.819,520 0.817,521 0.968,522 0.906,523 0.621,524 1.132,525 1.025,526 1.177,527 0.624,528 1.012,529 1.604,530 0.881,531 1.184,532 0.889,533 1.608,534 0.979,535 7,536 0.174,537 2.444,538 1.813,539 1.253,540 0.799,541 0.732,542 0.431,543 0.345,544 0.311,545 10537,546 32193,547 2.025,548 44.2,549 4,550 12,552 2,553 1,554 2,555 2,558 1.725,559 1.902,560 3.416,561 -0.371,563 1,567 80.339,568 1.545,569 3.273,570 4.35,571 5.133,572 5.277,573 5.316,574 2.85,575 4.444,576 4.828,577 3.609,578 1465.14,579 8.438,580 20621.3,582 1,584 1,585 296.423,586 1.459,587 4.784,588 0.226,589 0.006,590 0.058,591 0.045,592 0.034,593 0.02,594 0.019,595 0.011,596 0.01,597 0.009,598 0.439,599 0.17,600 1,601 1.064,602 148.074,603 0.05,604 0.009,605 0.173,606 0.025,607 -0.1,608 0.053,609 0.211,610 -0.051,611 -0.039,612 -0.069,613 0.226,614 -0.085,615 -0.119,616 -0.117,617 -0.188,618 -0.126,619 -0.107,620 -0.157,621 -0.124,622 0.069,623 -0.039,624 0.058,625 -0.099,626 0.017,627 -0.017,628 -0.168,629 -0.073,630 -0.148,631 0.042,632 -0.113,633 -0.07,634 0.08,635 0.077,636 0.113,637 -0.073,638 0.086,639 0.068,640 -0.146,641 0.042,642 -0.115,643 0.055,644 0.016,645 -0.284,646 0.104,647 -0.158,648 0.076,649 -0.279,650 -0.033,651 4.29,652 5.595,653 0.621,654 29.843,655 1.004,656 1.112,657 3.235,658 10.462,659 0.689,660 3.466,661 3.761,662 3.912,663 4.111,664 4.317,665 4.29,666 4.443,667 4.489,668 4.625,669 4.625,670 6.846,671 0.651,672 409.54,673 3.466,674 4.99,675 5.796,676 6.653,677 7.479,678 8.34,679 9.177,680 10.04,681 10.883,682 11.747,683 1.9,693 1,699 12,700 1,704 5,706 18,724 52,726 21,727 2,728 31,730 54,731 23,733 17,734 4,735 8,739 3,740 3,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,772 23,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,840 29,843 1,845 1,846 5,862 7.7,864 1,865 3,869 15.25,870 9.067,871 6.375,872 3.031,874 2.925,875 1.411,876 0.963,877 6.925,878 10.042,879 3.784,880 4.376,881 4.798,882 5.294,883 5.799,884 5.838,885 6.187,886 6.41,887 6.815,888 7.033,889 1,890 40,891 10.956,893 4.854,894 7.997,895 20.379,897 16.85,899 2.497,900 72.417,902 1,903 1,904 258.964,905 145.144,906 16.786,908 112.141,910 6.046,911 139.098,912 371.105,913 16.786,915 11.038,916 100.808,917 153.379,918 32.388,920 235.422,922 258.964,923 155.884,924 112.141,925 6.046,927 235.422,928 135.683,931 29.133,932 109.965,933 22.831,935 258.964,936 128.927,937 145.144,939 6.046,940 258.964,941 26.241,942 112.857,944 128.927,945 258.964,946 128.927,947 145.144,949 0.575,950 0.306,951 0.157,952 0.09,953 18,954 8,955 0.167,956 9,958 1,959 4.069,960 240.504,962 18,963 134.881,967 1,968 20.917,969 9.601,970 6.352,972 128.927,973 21.689,974 4.13,978 4.184,980 42.683,981 533.035,982 43,986 -3.373,987 36.151,991 -0.851,994 52.207,995 57.823,996 0.271,997 0.574,998 0.763,999 0.9,1000 0.926,1001 0.933,1002 4.994,1003 1.4,1004 5.79,1005 4.97,1006 4.443,1007 5.063,1008 3.328,1009 6.569,1010 4.368,1011 6.216,1012 1.219,1013 7.334,1014 3.024,1015 4.111,1016 5.027,1017 2.243,1018 7.695,1019 3.897,1020 7.542,1021 1,1022 8.996,1023 2.794,1024 6.052,1025 7.314,1026 5.245,1027 10.681,1028 5.85,1029 8.911,1030 1,1031 10.737,1032 2.136,1033 6.538,1034 8.102,1035 4.112,1036 12.713,1037 6.13,1038 10.317,1039 0.626,1040 12.535,1041 2.136,1042 7.999,1043 9.922,1044 7.313,1045 15.333,1046 7.591,1047 11.753,1048 0.534,1049 14.378,1050 1.492,1051 8.87,1052 11.099,1053 5.889,1054 17.693,1055 8.234,1056 13.213,1058 16.253,1059 1.227,1060 10.151,1061 12.742,1062 9.427,1063 20.229,1064 9.475,1065 3.374,1066 -0.512,1067 18.155,1069 11.205,1070 14.108,1071 7.625,1072 22.695,1073 10.309,1074 2.852,1075 12.405,1076 20.077,1077 -1.474,1078 12.424,1079 15.682,1080 11.56,1081 25.214,1082 11.446,1083 2.513,1084 8.481,1085 22.015,1086 4.694,1087 13.561,1088 17.14,1089 9.342,1090 27.715,1091 12.382,1092 2.26,1093 7.187,1094 23.964,1095 3.857,1096 14.763,1097 18.689,1098 13.706,1099 30.231,1100 13.469,1101 2.073,1102 6.12,1103 25.922,1104 3.435,1105 15.938,1106 20.19,1107 11.051,1108 32.743,1109 14.459,1110 1.96,1111 5.616,1112 27.888,1113 3.054,1114 17.139,1115 21.732,1116 15.858,1117 35.26,1118 15.524,1119 1.925,1120 5.306,1121 29.858,1122 2.755,1123 18.331,1124 23.254,1125 12.755,1126 37.775,1127 16.542,1128 10325,1129 18177,1130 20.455,1131 35.847,1132 45.671,1133 47.58,1134 45.745,1135 45.621,1136 45.472,1137 62.08,1138 11.942,1139 125.786,1140 43.96,1141 5.722,1142 7.246,1143 7.095,1144 5.324,1145 5.374,1146 7.694,1147 5.9,1148 19.565,1149 4.891,1150 14.117,1151 1.473,1152 1.535,1153 1.476,1154 1.472,1155 1.467,1156 2.003,1157 0.385,1158 4.058,1159 1.418,1160 4.106,1161 4.093,1162 4.741,1163 4.117,1164 7.714,1165 4.025,1166 3.977,1167 3.989,1168 3.938,1169 3.932,1170 7.474,1171 3.912,1172 3.825,1173 3.864,1174 3.758,1175 3.734,1176 6.999,1177 3.735,1178 3.665,1179 3.679,1180 3.676,1181 3.598,1182 6.351,1183 3.544,1184 3.565,1185 3.58,1186 3.489,1187 3.396,1188 4.905,1189 3.398,1190 3.22,1191 3.263,1192 3.117,1193 3.111,1194 4.719,1195 3.087,1196 3.132,1197 3.158,1198 3.026,1199 2.946,1200 4.677,1201 2.952,1202 2.859,1203 2.925,1204 2.694,1205 2.735,1206 3.923,1207 2.715,1208 0.156,1209 0.169,1210 0.235,1211 0.137,1212 0.109,1213 4.843,1214 0.151,1215 5.246,1216 0.095,1217 7.293,1218 0.4,1219 4.236,1220 0.093,1221 3.374,1222 4.694,1223 2.95,1224 12.405,1225 2.891,1226 2.017,1227 2.018,1228 2.105,1229 2.081,1230 1.38,1231 2.113,1232 1.951,1233 1.941,1234 2,1235 2.014,1236 1.249,1237 2.046,1238 1.812,1239 1.776,1240 1.941,1241 1.929,1242 1.095,1243 1.936,1244 1.611,1245 1.596,1246 1.782,1247 1.766,1248 1.022,1249 1.789,1250 1.493,1251 1.469,1252 1.633,1253 1.66,1254 0.834,1255 1.682,1256 1.199,1257 1.163,1258 1.378,1259 1.36,1260 0.581,1261 1.394,1262 1.058,1263 1.03,1264 1.181,1265 1.292,1266 0.42,1267 1.291,1268 0.886,1269 0.821,1270 1.165,1271 1.084,1272 0.218,1273 1.107,1274 4.143,1276 5.442,1278 6.925,1280 8.488,1282 10.094,1289 8.997,1290 1.49,1300 33.863,1301 80.339,1302 170.21,1303 226.184,1304 266.913,1305 274.423,1306 276.423,1307 73.424,1308 7.117,1309 84.33,1310 92.71,1311 18,1312 12.299,1313 4.459,1314 3.7,1315 52.158,1316 116,1317 113,1318 0.211,1319 213.85,1320 374.95,1321 513.555,1322 11296,1324 20.692,1325 0.714,1326 0.58,1327 20.942,1328 16.808,1329 13.921,1330 0.449,1331 0.357,1332 9.497,1333 12.784,1334 9.12,1335 7.553,1336 14.742,1337 11.077,1338 12.878,1339 0.307,1340 0.216,1341 14.202,1342 9.081,1343 9.451,1344 0.193,1345 0.13,1346 10.542,1347 6.365,1348 7.494,1349 0.125,1350 0.075,1351 8.377,1352 4.53,1353 6.167,1354 0.083,1355 0.044,1356 6.968,1357 3.238,1358 0.331,1359 94.39,1360 0.221,1361 27.685,1362 0.581,1363 146,1364 447.862,1365 192.116,1366 456.644,1367 598.57,1368 418,1369 164,1370 390.847,1371 213.993,1372 432.909,1373 614.64,1374 404,1375 7.319} {0 CHEMBL115806,1 1.619,2 11.138,3 2.996,4 8.977,5 114.282,6 7.234,7 0.4,8 4.12,9 4.236,10 3.791,11 3.645,12 5.162,13 3.59,14 4.678,15 4.865,16 4.03,17 4.013,18 5.945,19 3.92,20 4.927,21 5.141,22 4.044,23 4.187,24 5.914,25 4.053,26 5.045,27 5.268,28 3.976,29 4.201,30 6.123,31 4.065,32 5.037,33 5.271,34 3.919,35 4.176,36 6.088,37 4.04,38 5.005,39 5.269,40 3.941,41 4.157,42 5.924,43 4.005,44 4.978,45 5.237,46 3.979,47 4.113,48 5.946,49 3.979,50 4.938,51 5.172,52 3.934,53 4.061,54 6,55 3.934,56 0.11,57 0.843,58 16.292,59 5.579,60 20.645,61 7.439,62 0.582,63 1.302,64 26.394,65 9.383,66 82.469,67 12.621,68 0.373,69 1.576,70 38.317,71 12.814,72 67.277,73 16.404,74 0.574,75 1.647,76 43.952,77 13.681,78 105.794,79 17.587,80 0.543,81 1.604,82 37.528,83 12.62,84 101.507,85 17.344,86 0.314,87 1.572,88 38.054,89 13.419,90 62.498,91 18.524,92 0.336,93 1.527,94 36.133,95 12.305,96 62.631,97 17.123,98 0.435,99 1.468,100 38.45,101 11.905,102 83.219,103 15.647,104 57,105 40,106 0.266,107 0.562,108 0.75,109 0.831,110 0.845,111 0.85,112 3.407,113 1.125,114 -3.67,115 -3.64,116 -3.46,118 36.2,119 2,120 4,124 3,140 5,141 4,143 2,154 1,163 1,167 1,168 13,169 1,171 3,172 5,175 4,177 2,180 16,181 1,186 3,191 2,194 15,195 1,198 9,203 5,206 14,207 2,210 7,215 4,218 10,219 2,222 10,227 5,229 8,230 3,234 12,239 5,242 6,243 1,247 11,252 2,253 1,255 5,256 1,259 7,260 1,262 2,263 1,264 2,267 4,268 1,270 1568,271 19.126,272 19.126,273 19.126,274 19.126,275 19.126,276 17.156,277 24.9,278 11.468,279 19.358,280 14.7,281 14.7,282 14.7,283 14.7,284 14.7,285 11.592,286 32.146,287 5.295,288 14.968,289 4.239,290 2.435,291 1.291,292 0.798,293 0.716,294 0.681,295 4.071,299 1,300 1,301 650,302 4.69,306 219.777,313 1.719,314 37.656,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63.5,326 323,327 4.789,328 3.6,329 7.289,330 4.351,331 3.366,332 4.554,333 2.341,334 12.371,335 3.316,336 4.222,337 3.439,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.082,347 5.407,348 3.507,349 2.514,350 3.435,351 0.4,352 7.187,353 2.495,354 3.569,355 2.749,356 5.04,357 3.265,358 2.263,359 2.757,361 6.109,362 2.252,363 3.351,364 2.4,365 4.87,366 3.034,367 2.039,368 2.601,370 5.595,371 2.023,372 3.297,373 2.156,374 4.834,375 2.921,376 1.925,377 2.535,379 4.974,380 1.911,381 2.922,382 2.033,383 4.586,384 2.742,385 1.798,386 2.001,388 4.844,389 1.693,390 2.849,391 1.487,392 3.589,393 2.369,394 1.401,395 1.918,397 3.025,398 1.354,399 2.5,400 1.27,401 3.508,402 2.062,403 1.097,404 1.5,406 2.429,407 1.056,408 2.251,409 1.052,410 3.247,411 1.956,412 1,413 1.21,415 2.136,416 0.953,417 1.779,418 1,419 3,420 1.591,421 0.618,422 0.636,424 1.251,425 0.6,426 1.618,427 0.744,428 2.955,429 1.56,430 0.555,431 0.618,433 0.791,434 0.552,435 1.295,436 0.421,437 2.864,438 0.991,444 1.135,445 0.254,446 2.618,447 0.916,448 -0.064,449 -0.071,451 -0.148,452 -0.063,453 1,454 0.147,455 2.563,456 0.664,457 -0.326,458 -0.35,460 -0.463,461 -0.323,462 13.867,463 0.478,464 0.751,465 0.026,466 33.75,467 1.164,468 16.5,469 0.569,470 17.25,471 0.595,472 27.475,473 0.947,474 33.533,475 0.578,476 26.766,477 0.923,478 6.451,479 0.222,480 7.384,481 0.255,482 0.168,483 0.06,484 0.209,487 0.611,488 1.517,489 0.885,490 1.382,491 0.694,492 1.111,493 0.456,494 1.015,495 0.892,496 0.982,497 0.421,498 1.007,499 0.97,500 1.102,501 1.285,502 1.207,503 0.907,504 1.08,505 1.275,506 1.05,507 1.376,508 1.181,509 1.269,510 1.08,511 1.185,512 0.954,513 0.965,514 0.895,515 1.209,516 1.059,517 0.607,518 1.008,519 0.784,520 0.959,521 0.559,522 0.938,523 0.763,524 0.989,525 0.733,526 0.884,527 0.739,528 0.909,529 1.147,530 1.112,531 1.166,532 1.124,533 1.097,534 1.019,535 7.5,536 0.281,537 2.667,538 2.125,539 1.004,540 0.694,541 0.67,542 0.45,543 0.382,544 0.302,545 9958,546 29995,547 1.93,548 50,549 4,550 11,552 2,553 2,554 2,555 8,558 1.724,559 1.785,560 3.455,561 0.262,562 1,563 1,567 93.888,568 1.619,569 3.423,570 4.567,571 5.06,572 5.142,573 5.177,574 2.857,575 4.375,576 4.828,577 3.66,578 1485.93,579 8.433,580 21285.4,582 1,584 1,585 339.763,586 1.581,587 4.765,588 0.25,589 0.01,590 0.067,591 0.053,592 0.026,593 0.02,594 0.018,595 0.012,596 0.011,597 0.01,598 0.477,599 0.33,600 0.88,601 2.011,602 149.004,603 0.068,604 -0.213,605 0.203,606 -0.112,607 -0.11,608 -0.003,609 0.375,610 0.149,611 0.068,612 0.061,613 0.303,614 0.005,615 -0.122,616 -0.006,617 -0.136,618 -0.052,619 -0.091,620 -0.046,621 -0.206,622 -0.024,623 -0.239,624 -0.084,625 -0.13,626 -0.08,627 -0.189,628 0.019,629 -0.123,630 0.007,631 -0.148,632 -0.088,633 0.047,634 -0.061,635 0.117,636 0.02,637 0.063,638 0.085,639 0.01,640 -0.029,641 0.145,642 0.05,643 0.002,644 0.085,645 -0.118,646 -0.107,647 -0.076,648 -0.074,649 -0.093,650 -0.03,651 4.402,652 5.278,653 0.414,654 31.584,655 1.003,656 1.132,657 2.437,658 5.941,659 0.644,660 3.434,661 3.714,662 3.85,663 4.007,664 4.094,665 4.143,666 4.263,667 4.394,668 4.454,669 4.489,670 7.086,671 0.603,672 419.6,673 3.434,674 4.949,675 5.746,676 6.597,677 7.412,678 8.268,679 9.09,680 9.95,681 10.776,682 11.638,683 5.2,685 1,686 1,693 1,699 7,700 1,704 4,706 12,724 58,726 15,727 1,728 30,730 59,731 21,733 11,734 3,735 3,739 2,740 2,745 2,751 4,753 12,754 9,756 3,760 1,761 3,765 1,769 1,772 29,773 7,774 2,775 8,776 1,779 3,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 2,840 29,844 1,845 1,846 7,847 1,851 1,862 6.9,864 1,865 3,869 16.25,870 10.6,871 6.625,872 3.694,874 2.252,875 1.328,876 0.924,877 8.933,878 9.127,879 3.689,880 4.234,881 4.57,882 5.014,883 5.439,884 5.553,885 5.864,886 6.256,887 6.563,888 6.817,889 1,890 40,891 10.964,893 4.681,894 7.991,895 20.456,897 16.317,899 2.491,900 72.25,903 1,904 317.82,905 118.803,906 34.709,908 112.141,910 5.569,911 113.234,912 429.961,913 34.709,914 17.65,915 16.455,916 69.355,917 153.379,918 32.356,920 294.278,922 317.82,923 147.943,924 112.141,925 5.569,927 223.651,928 206.31,931 70.124,932 61.033,933 22.354,935 317.82,936 146.85,937 118.803,939 5.569,940 317.82,941 30.107,942 84.645,943 16.405,944 128.927,945 317.82,946 146.85,947 118.803,949 0.568,950 0.313,951 0.158,952 0.074,953 15,954 8,955 0.203,956 12,958 1,959 3.985,960 229.97,962 12,963 134.881,967 1,968 23.178,969 11.177,970 7.674,972 146.85,973 13.424,974 4.135,978 4.044,980 59.088,981 583.473,982 39,986 -3.486,987 35.503,991 -0.837,994 58.178,995 65.65,996 0.276,997 0.584,998 0.78,999 0.864,1000 0.878,1001 0.884,1002 4.905,1003 1.401,1004 5.746,1005 4.844,1006 4.394,1007 4.92,1008 2.38,1009 6.529,1010 4.364,1011 6.115,1012 1.097,1013 7.299,1014 3.025,1015 4.111,1016 4.977,1017 2.243,1018 7.695,1019 4.088,1020 7.444,1021 1,1022 8.97,1023 2.429,1024 6.014,1025 7.148,1026 3.641,1027 10.657,1028 5.965,1029 8.815,1030 0.618,1031 10.718,1032 2.136,1033 6.538,1034 8.003,1035 4.112,1036 12.705,1037 6.491,1038 10.224,1039 0.555,1040 12.521,1041 1.251,1042 7.969,1043 9.742,1044 5.203,1045 15.313,1046 7.901,1047 11.66,1049 14.367,1050 0.791,1051 8.864,1052 10.941,1053 5.889,1054 17.676,1055 8.788,1056 13.119,1057 -0.064,1058 16.244,1060 10.128,1061 12.531,1062 6.849,1063 20.206,1064 10.035,1065 3.366,1066 -0.326,1067 18.147,1068 -0.148,1069 11.192,1070 13.887,1071 7.625,1072 22.672,1073 11.086,1074 2.856,1075 12.371,1076 20.07,1077 -0.463,1078 12.402,1079 15.421,1080 8.526,1081 25.187,1082 12.28,1083 2.514,1084 8.482,1085 22.007,1086 4.554,1087 13.543,1088 16.853,1089 9.342,1090 27.685,1091 13.404,1092 2.263,1093 7.187,1094 23.956,1095 3.858,1096 14.739,1097 18.366,1098 10.216,1099 30.199,1100 14.584,1101 2.039,1102 6.109,1103 25.914,1104 3.435,1105 15.914,1106 19.835,1107 11.051,1108 32.707,1109 15.742,1110 1.925,1111 5.595,1112 27.879,1113 2.757,1114 17.111,1115 21.343,1116 11.912,1117 35.221,1118 16.922,1119 1.798,1120 4.974,1121 29.849,1122 2.601,1123 18.302,1124 22.831,1125 12.755,1126 37.734,1127 18.096,1128 10206,1129 17841,1130 19.068,1131 37.381,1132 42.872,1133 44.053,1134 44.71,1135 42.842,1136 42.866,1137 55.247,1138 6.842,1139 118.389,1140 42.119,1141 5.712,1142 5.6,1143 7.09,1144 5.387,1145 5.366,1146 7.554,1147 3.925,1148 19.425,1149 5.316,1150 17.691,1151 1.429,1152 1.468,1153 1.49,1154 1.428,1155 1.429,1156 1.842,1157 0.228,1158 3.946,1159 1.404,1160 4.043,1161 4.062,1162 4.721,1163 3.975,1164 7.717,1165 3.958,1166 3.957,1167 3.955,1168 3.945,1169 3.881,1170 7.474,1171 3.776,1172 3.825,1173 3.864,1174 3.759,1175 3.733,1176 6.999,1177 3.731,1178 3.597,1179 3.639,1180 3.497,1181 3.424,1182 6.351,1183 3.427,1184 3.489,1185 3.548,1186 3.349,1187 3.307,1188 4.904,1189 3.291,1190 3.316,1191 3.407,1192 3.228,1193 3.189,1194 4.685,1195 3.145,1196 3.306,1197 3.347,1198 3.04,1199 3.123,1200 4.226,1201 3.089,1202 3.153,1203 3.193,1204 3.039,1205 2.984,1206 4.066,1207 2.986,1208 0.16,1209 0.12,1210 0.243,1211 0.145,1212 0.112,1213 4.789,1214 0.152,1215 3.6,1216 0.078,1217 7.289,1218 0.412,1219 4.351,1220 0.111,1221 3.366,1222 4.554,1223 2.341,1224 12.371,1225 3.316,1226 1.994,1227 1.969,1228 2.106,1229 2.074,1230 1.34,1231 2.09,1232 1.819,1233 1.79,1234 1.945,1235 1.975,1236 1.179,1237 2.007,1238 1.767,1239 1.757,1240 1.899,1241 1.927,1242 1.095,1243 1.936,1244 1.559,1245 1.51,1246 1.798,1247 1.767,1248 1.078,1249 1.779,1250 1.449,1251 1.393,1252 1.725,1253 1.664,1254 0.869,1255 1.679,1256 1.351,1257 1.256,1258 1.654,1259 1.584,1260 0.822,1261 1.638,1262 1.245,1263 1.226,1264 1.386,1265 1.428,1266 0.576,1267 1.477,1268 1.106,1269 1.068,1270 1.186,1271 1.33,1272 0.474,1273 1.335,1274 4.111,1276 5.398,1278 6.868,1280 8.421,1282 10.016,1284 3.61,1289 8.989,1290 2.845,1291 2.642,1295 1.379,1300 34.959,1301 93.888,1302 198.553,1303 264.869,1304 293.498,1305 298.253,1306 300.253,1307 92.319,1308 6.875,1309 99.6,1310 107.98,1311 12,1312 12.195,1313 4,1314 3.322,1315 65.213,1316 120,1317 111,1318 0.256,1319 224.43,1320 393.53,1321 539.369,1322 8091,1324 21.278,1325 0.734,1326 0.613,1327 21.528,1328 17.782,1329 13.835,1330 0.461,1331 0.375,1332 9.813,1333 12.549,1334 9.408,1335 7.856,1336 14.656,1337 11.248,1338 12.41,1339 0.31,1340 0.214,1341 13.734,1342 8.578,1343 9.068,1344 0.197,1345 0.139,1346 10.235,1347 6.38,1348 7.274,1349 0.135,1350 0.082,1351 8.208,1352 4.421,1353 4.874,1354 0.083,1355 0.041,1356 5.252,1357 2.437,1358 0.404,1359 94.854,1360 0.229,1361 27.789,1362 0.696,1363 140,1364 443.84,1365 191.416,1366 445.951,1367 584.4,1368 408,1369 156,1370 380.6,1371 213.382,1372 422.11,1373 602.04,1374 394,1375 7.538} {0 CHEMBL115844,1 1.577,2 7.714,3 1.756,4 3.084,5 80.429,6 7.815,7 0.652,8 3.698,9 3.809,10 3.306,11 3.235,12 4.894,13 3.234,14 4.176,15 4.338,16 3.649,17 3.611,18 5.426,19 3.591,20 4.342,21 4.525,22 3.595,23 3.728,24 5.378,25 3.662,26 4.465,27 4.672,28 3.598,29 3.793,30 5.438,31 3.693,32 4.489,33 4.712,34 3.619,35 3.785,36 5.477,37 3.694,38 4.542,39 4.769,40 3.615,41 3.727,42 5.661,43 3.642,44 4.445,45 4.697,46 3.252,47 3.446,48 5.605,49 3.344,50 4.036,51 4.292,52 2.767,53 2.937,54 5.251,55 2.828,56 0.042,57 0.534,58 6.66,59 3.023,60 8.129,61 3.758,62 0.237,63 0.849,64 12.178,65 4.678,66 32.918,67 6.145,68 0.182,69 0.952,70 15.046,71 6.055,72 24.147,73 7.923,74 0.287,75 1.059,76 17.764,77 7.136,78 24.544,79 9.743,80 0.164,81 1.06,82 18.744,83 7.434,84 20.561,85 10.269,86 0.196,87 1.072,88 20.39,89 7.737,90 26.422,91 10.563,92 0.36,93 0.881,94 20.741,95 6.643,96 59.777,97 8.828,98 0.375,99 0.551,100 14.371,101 4.276,102 49.864,103 5.647,104 13,105 32,106 0.283,107 0.688,108 0.845,109 0.885,110 0.895,111 0.895,112 3.104,113 0.863,114 -2.89,115 -2.9,116 -2.8,118 44.4,119 1,124 1,133 1,135 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 7,175 1,177 1,180 6,186 3,187 1,194 5,197 2,198 4,201 1,206 7,210 3,218 4,219 4,221 1,222 8,227 4,229 1,230 2,234 4,235 1,239 2,243 1,246 1,247 3,250 1,252 1,260 1,270 541,271 14.19,272 14.19,273 14.19,274 14.19,275 14.19,276 12.026,277 14.428,278 8.5,279 14.477,280 11.366,281 11.366,282 11.366,283 11.366,284 11.366,285 8.13,286 17.438,287 4.054,288 11.826,289 3.593,290 1.337,291 0.465,292 0.243,293 0.188,294 0.188,295 3.781,298 1,299 1,300 1,301 344,302 3,305 92.402,306 52.391,309 80.23,313 1.347,314 15.448,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 45.5,326 162,327 4.752,328 3.492,329 7.01,330 4.294,331 3.326,332 4.72,333 1.437,334 11.946,335 3.223,336 3.936,337 3.431,338 5.761,339 3.478,340 2.556,341 3.491,342 0.522,343 7.744,344 2.36,345 3.719,346 2.711,347 5.602,348 3.265,349 2.277,350 3.102,352 6.956,353 2.233,354 3.55,355 2.287,356 5.264,357 3.112,358 2.129,359 2.936,361 6.43,362 2.082,363 3.425,364 2.207,365 4.644,366 2.984,367 2.017,368 2.712,370 5.102,371 1.935,372 2.831,373 1.435,374 3.8,375 2.349,376 1.354,377 1.987,379 2.966,380 1.347,381 2.638,382 1.327,383 3.68,384 2.165,385 1.228,386 1.687,388 2.813,389 1.149,390 2.562,391 1.214,392 3.511,393 1.996,394 1.018,395 1.459,397 2.452,398 0.99,399 2.16,400 0.868,401 3.2,402 1.593,403 0.618,404 0.927,406 1.472,407 0.598,408 2.118,409 0.618,410 3,411 1.553,412 0.615,413 0.871,415 1.372,416 0.577,417 1.336,418 0.576,419 2.714,420 1.002,421 0.025,422 0.033,424 0.062,425 0.025,426 0.864,427 0.213,428 2.406,429 0.474,430 -0.498,431 -0.631,433 -1.282,434 -0.479,435 0.623,436 -0.306,437 2.285,438 0.164,439 -0.814,440 -1.045,442 -2,443 -0.781,444 0.483,445 -0.669,446 2,447 0.019,448 -0.963,449 -1.334,451 -2.067,452 -0.943,453 0.404,454 -0.899,455 1.789,456 -0.002,457 -1,458 -1.379,460 -2.388,461 -0.965,462 9.867,463 0.47,464 0.507,465 0.024,466 29,467 1.381,468 15,469 0.714,470 14,471 0.667,472 13.906,473 0.662,474 21.933,475 0.609,476 19.992,477 0.952,478 6.088,479 0.29,480 4.077,481 0.194,482 0.118,484 0.334,487 0.833,488 1.403,489 0.745,490 1.056,491 0.716,492 0.915,493 0.678,494 1.026,495 0.817,496 0.86,497 0.365,498 0.842,499 0.875,500 1.051,501 1.056,502 1.02,503 0.717,504 1.054,505 0.54,506 0.998,507 1.051,508 1.084,509 0.516,510 1.145,511 0.589,512 1.053,513 0.896,514 1.063,515 0.469,516 1.032,517 0.77,518 1.133,519 0.933,520 1.194,521 0.739,522 1.109,523 1.467,524 0.892,525 1.136,526 0.95,527 1.585,528 0.984,529 1.634,530 0.77,531 1.198,532 0.845,533 2.052,534 0.948,535 3.5,536 0.04,537 2.222,538 2.083,539 0.862,540 0.841,541 0.488,542 0.15,543 0.131,544 0.055,545 3977,546 12262,547 2.074,548 41.7,550 7,551 2,552 2,553 1,554 3,558 1.639,559 1.938,560 2.959,561 -0.291,562 1,563 1,565 1,567 56.759,568 1.577,569 3.833,570 4.705,571 4.927,572 4.982,573 4.982,574 2.47,575 4.011,576 4.358,577 3.116,578 654.261,579 7.505,580 6837.33,581 1,582 1,584 1,585 186.117,586 1.418,587 4.322,588 0.152,589 0.01,590 0.069,591 0.069,592 0.03,593 0.028,594 0.017,595 0.008,596 0.013,597 0.009,598 0.407,599 0.5,600 1,601 1.238,602 93.219,603 -0.076,604 -0.275,605 0.039,606 -0.071,607 -0.091,608 -0.015,609 0.119,610 0.104,611 0.039,612 0.088,613 0.241,614 0.063,615 -0.153,616 -0.005,617 -0.183,618 -0.035,619 -0.079,620 -0.098,621 0.089,622 0.017,623 -0.154,624 -0.095,625 -0.012,626 -0.16,627 0.012,628 -0.077,629 0.028,630 -0.063,631 0.034,632 -0.019,633 0.052,634 -0.191,635 0.038,636 -0.21,637 0.067,638 -0.107,639 -0.194,640 -0.016,641 -0.051,642 0.011,643 -0.168,644 0.008,645 -0.066,646 0.075,647 -0.054,648 0.101,649 -0.252,650 0.029,651 2.622,652 3.771,653 0.667,654 16.417,655 1.007,656 1.122,657 1.662,658 2.764,659 0.68,660 3.178,661 3.497,662 3.784,663 4.094,664 4.277,665 4.382,666 4.5,667 4.564,668 4.431,669 4.304,670 4.904,671 0.657,672 281.34,673 3.178,674 4.71,675 5.565,676 6.454,677 7.34,678 8.243,679 9.144,680 10.054,681 10.962,682 11.876,683 8.3,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,724 36,726 17,727 1,728 23,730 38,731 16,733 11,734 2,735 4,736 3,739 3,740 4,745 1,753 14,754 2,756 2,761 1,763 2,765 1,768 1,769 1,772 15,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,822 1,830 1,832 2,836 1,840 21,845 1,846 1,862 5.6,864 1,865 1,869 10.833,870 6.717,871 4.639,872 1.993,874 3.102,875 1.461,876 0.977,877 3.627,878 9.835,879 3.512,880 4.151,881 4.794,882 5.448,883 5.925,884 6.327,885 6.786,886 7.195,887 7.308,888 7.535,889 1,890 30,891 7.696,893 3.224,894 7.873,895 14.538,897 11.722,899 2.373,900 49.833,904 164.795,905 105.642,906 20.584,908 67.828,911 105.642,912 232.624,913 20.584,914 8.825,915 11.153,916 56.429,917 117.684,918 18.604,919 28.443,920 117.711,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 32.395,932 67.569,933 26.262,935 164.795,936 88.412,937 105.642,940 164.795,941 13.675,942 95.765,944 84.614,945 164.795,946 88.412,947 105.642,949 0.576,950 0.329,951 0.188,952 0.103,953 16,954 7,955 0.105,956 4,957 1,958 1.143,959 3.303,960 163.67,961 0.143,962 14,963 92.239,968 13.649,969 5.581,970 2.625,971 2.126,972 84.614,973 13.431,974 4.059,978 2.195,979 3.912,980 42.683,981 358.85,982 32.5,987 10.771,989 2.748,991 -0.955,994 36.262,995 40.405,996 0.305,997 0.741,998 0.91,999 0.953,1000 0.964,1001 0.964,1002 4.725,1003 1.018,1004 5.549,1005 2.813,1006 4.174,1007 4.836,1008 1.736,1009 6.385,1010 4.099,1011 5.955,1012 0.618,1013 7.119,1014 2.452,1015 3.761,1016 4.677,1018 7.365,1019 3.646,1020 7.273,1021 0.615,1022 8.797,1023 1.472,1024 5.771,1025 7.122,1026 2.269,1027 10.529,1028 5.621,1029 8.636,1030 0.025,1031 10.543,1032 1.372,1033 6.236,1034 7.886,1036 12.422,1037 6.046,1038 10.036,1039 -0.498,1040 12.335,1041 0.062,1042 7.71,1043 9.76,1044 2.925,1045 15.119,1046 7.492,1047 11.465,1048 -0.814,1049 14.158,1050 -1.282,1051 8.585,1052 10.964,1054 17.38,1055 8.331,1056 12.918,1057 -0.963,1058 16.006,1059 -2,1060 9.866,1061 12.625,1062 3.619,1063 19.932,1064 9.587,1065 3.326,1066 -1,1067 17.873,1068 -2.067,1069 10.928,1070 14.031,1072 22.333,1073 10.616,1074 2.556,1075 11.946,1076 19.755,1077 -2.388,1078 12.146,1079 15.616,1080 4.33,1081 24.837,1082 11.808,1083 2.277,1084 7.744,1085 21.649,1086 4.72,1087 13.288,1088 17.108,1090 27.289,1091 12.92,1092 2.129,1093 6.956,1094 23.553,1095 3.491,1096 14.489,1097 18.668,1098 5.047,1099 29.777,1100 14.093,1101 2.017,1102 6.43,1103 25.465,1104 3.102,1105 15.664,1106 20.195,1108 32.247,1109 15.238,1110 1.354,1111 5.102,1112 27.384,1113 2.936,1114 16.861,1115 21.748,1116 5.769,1117 34.731,1118 16.407,1119 1.228,1120 2.966,1121 29.308,1122 2.712,1123 18.051,1124 23.289,1126 37.207,1127 17.567,1128 3949,1129 7016,1130 15.315,1131 24.495,1132 35.122,1133 35.15,1134 35.29,1135 34.349,1136 34.33,1137 47.851,1138 3.916,1139 98.63,1140 33.035,1141 5.541,1142 5.492,1143 6.689,1144 5.353,1145 5.326,1146 7.72,1147 2.873,1148 19.164,1149 5.223,1150 9.646,1151 1.527,1152 1.528,1153 1.534,1154 1.493,1155 1.493,1156 2.08,1157 0.17,1158 4.288,1159 1.436,1160 4.167,1161 4.201,1162 4.134,1163 4.079,1164 7.476,1165 4.088,1166 3.876,1167 3.943,1168 3.82,1169 3.67,1170 6.351,1171 3.699,1172 3.61,1173 3.635,1174 3.544,1175 3.466,1176 4.984,1177 3.477,1178 3.437,1179 3.474,1180 3.342,1181 3.3,1182 4.885,1183 3.304,1184 3.073,1185 3.141,1186 2.968,1187 2.886,1188 4.359,1189 2.888,1190 2.983,1191 3.059,1192 2.745,1193 2.768,1194 4.046,1195 2.754,1196 2.783,1197 2.857,1198 2.619,1199 2.606,1200 3.727,1201 2.599,1202 2.698,1203 2.749,1204 2.552,1205 2.436,1206 3.615,1207 2.474,1208 0.207,1209 0.152,1210 0.305,1211 0.187,1212 0.145,1213 4.752,1214 0.205,1215 3.492,1216 0.062,1217 7.01,1218 0.519,1219 4.294,1220 0.14,1221 3.326,1222 4.72,1223 1.437,1224 11.946,1225 3.223,1226 1.946,1227 1.922,1228 2.038,1229 2.032,1230 1.207,1231 2.034,1232 1.753,1233 1.707,1234 1.887,1235 1.929,1236 1.059,1237 1.919,1238 1.521,1239 1.474,1240 1.683,1241 1.733,1242 0.781,1243 1.719,1244 1.364,1245 1.317,1246 1.59,1247 1.583,1248 0.603,1249 1.577,1250 1.281,1251 1.21,1252 1.473,1253 1.524,1254 0.454,1255 1.512,1256 0.999,1257 0.954,1258 1.239,1259 1.232,1260 0.283,1261 1.213,1262 0.933,1263 0.861,1264 1.152,1265 1.167,1266 0.219,1267 1.193,1268 0.714,1269 0.65,1270 1.023,1271 0.974,1272 0.111,1273 1.003,1274 3.85,1276 5.165,1277 3.045,1278 6.666,1279 5.416,1280 8.261,1281 7.535,1282 9.916,1284 1.998,1289 8.839,1290 0.709,1300 23.655,1301 56.759,1302 137.978,1303 169.362,1304 177.362,1305 179.362,1306 179.362,1307 27.153,1308 6.733,1309 60.05,1310 60.05,1311 16,1312 12.39,1313 4.17,1314 3.392,1315 31.911,1316 61,1317 60,1318 0.268,1319 147.024,1320 245.04,1321 350.498,1322 6272,1324 14.82,1325 0.706,1326 0.552,1327 14.82,1328 11.6,1329 10.165,1330 0.442,1331 0.288,1332 6.521,1333 9.745,1334 6.344,1335 5.284,1336 10.165,1337 6.618,1338 9.156,1339 0.286,1340 0.151,1341 9.156,1342 4.84,1343 7.483,1344 0.174,1345 0.083,1346 7.483,1347 3.553,1348 6.372,1349 0.108,1350 0.043,1351 6.372,1352 2.553,1353 4.926,1354 0.069,1355 0.024,1356 4.926,1357 1.701,1358 0.401,1359 63.793,1360 0.256,1361 20.468,1362 0.793,1363 110,1364 332.821,1365 120.7,1366 324.136,1367 441.22,1368 302,1369 130,1370 325.469,1371 140.179,1372 330.783,1373 479.57,1374 310,1375 7.155} {0 CHEMBL115899,1 1.354,2 6.471,3 2.355,4 5.545,5 69.253,6 7.041,7 0.789,8 3.567,9 3.7,10 3.118,11 3.123,12 4.599,13 3.092,14 4.089,15 4.287,16 3.433,17 3.511,18 5.024,19 3.458,20 4.242,21 4.467,22 3.342,23 3.595,24 5.069,25 3.484,26 4.295,27 4.536,28 3.283,29 3.59,30 5.106,31 3.459,32 4.23,33 4.472,34 3.163,35 3.498,36 5.041,37 3.352,38 4.22,39 4.506,40 3.014,41 3.353,42 5.01,43 3.197,44 4.001,45 4.308,46 2.638,47 3.093,48 4.764,49 2.908,50 3.644,51 3.956,52 2.003,53 2.651,54 4.413,55 2.412,56 0.027,57 0.491,58 6.92,59 2.729,60 6.389,61 3.895,62 0.139,63 0.797,64 12.721,65 4.306,66 11.528,67 6.317,68 0.101,69 0.86,70 15.061,71 5.813,72 11.834,73 8.422,74 0.14,75 0.89,76 16.165,77 6.151,78 13.834,79 8.935,80 0.079,81 0.819,82 15.067,83 5.977,84 12.834,85 8.692,86 0.153,87 0.788,88 15.726,89 5.457,90 16.333,91 8.171,92 0.107,93 0.602,94 12.821,95 4.526,96 14.333,97 6.796,98 0.072,99 0.407,100 8.962,101 3.156,102 12.5,103 4.757,104 3,105 26,106 0.252,107 0.607,108 0.81,109 0.868,110 0.879,111 0.879,112 2.91,113 0.933,114 -3.33,115 -3.31,116 -3.17,118 43.8,119 1,124 2,140 4,141 2,143 1,149 2,150 1,156 1,168 5,171 1,172 5,180 5,186 3,194 4,197 1,198 3,206 4,210 3,218 2,221 1,222 3,229 1,234 2,247 2,270 298,271 11.939,272 11.939,273 11.939,274 11.939,275 11.939,276 10.168,277 13.125,278 7.163,279 12.249,280 9.353,281 9.353,282 9.353,283 9.353,284 9.353,285 6.693,286 17.975,287 3.329,288 9.815,289 3.646,290 1.739,291 0.649,292 0.336,293 0.274,294 0.274,295 3.588,299 1,300 1,301 239,302 2.121,305 70.948,306 38.735,309 59.343,313 1.031,314 4.887,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35.5,326 110,327 4.639,328 3.288,329 6.752,330 4.167,331 3.196,332 4.602,333 0.522,334 11.077,335 3.106,336 3.932,337 2.707,338 5.634,339 3.473,340 2.553,341 3.489,343 7.534,344 2.35,345 3.47,346 2.218,347 5.282,348 3.042,349 2.092,350 2.834,352 6.444,353 1.981,354 3.319,355 1.963,356 4.824,357 2.86,358 1.88,359 2.673,361 5.201,362 1.838,363 2.723,364 1.327,365 3.728,366 2.249,367 1.272,368 1.821,370 2.844,371 1.243,372 2.604,373 1.222,374 3.591,375 2.133,376 1.178,377 1.646,379 2.731,380 1.122,381 2.364,382 1.019,383 3.368,384 1.922,385 0.954,386 1.312,388 2.234,389 0.921,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.497,400 0.381,401 2.746,402 1.29,403 0.32,404 0.368,406 0.484,407 0.309,408 1.04,409 -0.095,410 2.588,411 0.687,412 -0.266,413 -0.337,415 -0.716,416 -0.252,417 0.669,418 -0.772,419 2.22,420 0.191,421 -0.802,422 -1.083,424 -1.883,425 -0.796,426 0.534,427 -0.821,428 2,429 0.106,430 -0.868,431 -1.235,433 -2.102,434 -0.841,435 0.11,436 -1.03,437 1.689,438 -0.267,439 -1.214,440 -1.482,442 -2.923,443 -1.151,444 -0.118,445 -1.483,446 1.233,447 -0.651,448 -1.605,449 -2.101,451 -3.964,452 -1.467,453 -0.176,454 -1.618,455 1.158,456 -0.707,457 -1.618,458 -2.427,460 -4.372,461 -1.525,462 8.2,463 0.482,464 0.291,465 0.017,466 23.5,467 1.382,468 12,469 0.706,470 11.5,471 0.676,472 10.578,473 0.622,474 17.6,475 0.55,476 13.46,477 0.792,478 4.686,479 0.276,480 3.696,481 0.217,482 0.061,484 0.28,487 0.949,488 1.494,489 0.812,490 1.126,491 0.786,492 0.986,493 1.455,494 0.947,495 0.96,496 0.808,497 0.972,498 0.831,499 0.982,500 1.034,501 1.023,502 1.041,503 0.88,504 1.037,505 0.94,506 0.961,507 1.073,508 1.054,509 0.948,510 1.073,511 0.727,512 1.231,513 1.06,514 1.246,515 0.816,516 1.197,517 1.017,518 0.934,519 0.995,520 0.956,521 0.94,522 0.97,523 0.977,524 0.823,525 0.952,526 0.878,527 1.017,528 0.906,529 0.991,530 1,531 1.143,532 1.114,533 1.631,534 1.138,535 2.5,537 1.556,538 1.486,539 0.462,540 0.452,541 0.178,542 0.084,543 0.041,545 2347,546 5236,547 2.163,548 46.9,550 8,551 2,552 2,555 3,558 1.573,559 2.082,560 2.768,561 -0.807,563 1,564 1,565 1,567 43.339,568 1.354,569 3.261,570 4.351,571 4.664,572 4.726,573 4.726,574 2.184,575 3.41,576 4.059,577 2.866,578 389.811,579 6.881,580 3481.9,581 1,582 1,584 1,585 160,586 1.166,587 4.043,588 0.132,590 0.06,591 0.065,592 0.022,593 0.025,594 0.012,595 0.008,596 0.01,598 0.334,599 1,600 1,601 0.721,602 69.131,603 0.078,604 -0.35,605 0.09,606 -0.135,607 0.095,608 -0.041,609 -0.106,610 0.184,612 0.126,613 -0.05,614 0.083,615 -0.106,616 -0.033,617 -0.084,618 -0.051,619 -0.104,620 -0.063,621 -0.031,622 0.022,623 -0.123,624 -0.075,625 -0.106,626 -0.102,627 0.017,628 -0.291,629 -0.12,630 -0.249,631 0.009,632 -0.207,633 0.04,634 0.002,635 0.001,636 -0.01,637 0.07,638 -0.009,639 -0.055,640 0.061,641 0.048,642 0.085,643 0.075,644 0.078,645 -0.084,646 -0.14,647 -0.144,648 -0.16,649 -0.232,650 -0.158,651 0.618,652 1.082,653 0.824,654 10.443,655 0.988,656 1.125,657 2.098,658 4.401,659 0.675,660 2.996,661 3.296,662 3.611,663 3.912,664 4.025,665 4.078,666 4.174,667 4.19,668 4.025,669 3.85,670 4.203,671 0.632,672 225.32,673 2.996,674 4.511,675 5.371,676 6.252,677 7.133,678 8.025,679 8.914,680 9.809,681 10.702,682 11.599,683 9.4,691 2,693 1,698 2,699 8,700 1,704 1,705 2,706 15,724 32,726 15,727 1,728 19,730 34,731 14,733 11,734 2,735 4,739 3,740 4,745 1,753 11,754 3,769 1,772 15,773 1,775 3,778 1,779 3,784 0.667,797 1,801 2,802 1,805 1,832 2,836 1,840 17,846 2,869 8.167,870 6.017,871 3.833,872 2.028,874 2.807,875 1.442,876 1.023,877 2.633,878 9.163,879 3.314,880 3.961,881 4.627,882 5.276,883 5.666,884 5.992,885 6.426,886 6.793,887 6.837,888 6.993,889 1,890 23,891 6.251,893 2.582,894 7.441,895 12.312,897 10.072,899 1.941,900 33,901 0.004,904 176.567,905 94.605,906 20.584,911 94.605,912 176.567,913 20.584,914 8.825,915 4.211,916 56,917 48.946,918 18.604,919 25.686,920 129.482,922 176.567,923 115.189,927 141.253,928 35.313,931 34.501,932 63.903,933 16.786,935 176.567,936 20.584,937 94.605,940 176.567,941 12.114,942 86.289,944 16.786,945 176.567,946 20.584,947 94.605,949 0.566,950 0.347,951 0.204,952 0.101,953 14,954 5,955 0.088,956 3,957 1,958 1.143,959 3.013,960 121.867,961 0.143,962 14,963 69.487,968 10.453,969 4.283,970 1.838,971 2.646,972 16.786,973 16.471,974 4.082,978 1.348,979 4.392,981 291.755,982 26.5,994 31.607,995 35.986,996 0.271,997 0.652,998 0.87,999 0.933,1000 0.945,1001 0.945,1002 4.508,1003 0.618,1004 5.333,1005 2.234,1006 3.97,1007 4.644,1008 0.434,1009 6.151,1010 3.883,1011 5.719,1012 0.32,1013 6.884,1014 1.372,1015 3.434,1016 4.407,1018 7.066,1019 3.301,1020 7.029,1021 -0.266,1022 8.543,1023 0.484,1024 5.549,1025 6.94,1026 0.138,1027 10.21,1028 5.381,1029 8.387,1030 -0.802,1031 10.268,1032 -0.716,1033 5.943,1034 7.67,1036 12.033,1037 5.737,1038 9.784,1039 -0.868,1040 12.038,1041 -1.883,1042 7.454,1043 9.575,1044 0.039,1045 14.674,1046 7.223,1047 11.209,1048 -1.214,1049 13.838,1050 -2.102,1051 8.274,1052 10.751,1054 16.855,1055 8.014,1056 12.657,1057 -1.605,1058 15.66,1059 -2.923,1060 9.555,1061 12.415,1062 0.011,1063 19.338,1064 9.273,1065 3.196,1066 -1.618,1067 17.5,1068 -3.964,1069 10.567,1070 13.791,1072 21.658,1073 10.26,1074 2.553,1075 11.077,1076 19.353,1077 -4.372,1078 11.764,1079 15.365,1080 0.003,1081 24.089,1082 11.435,1083 2.092,1084 7.534,1085 21.216,1086 4.602,1087 12.859,1088 16.828,1090 26.461,1091 12.507,1092 1.88,1093 6.444,1094 23.088,1095 3.489,1096 14.027,1097 18.369,1098 0.001,1099 28.875,1100 13.652,1101 1.272,1102 5.201,1103 24.967,1104 2.834,1105 15.158,1106 19.867,1108 31.267,1109 14.758,1110 1.178,1111 2.844,1112 26.851,1113 2.673,1114 16.318,1115 21.398,1117 33.675,1118 15.894,1119 0.954,1120 2.731,1121 28.74,1122 1.821,1123 17.464,1124 22.912,1126 36.075,1127 17.016,1128 2291,1129 3497,1130 13.118,1131 21.586,1132 28.227,1133 28.084,1134 28.586,1135 28.138,1136 28.128,1137 39.344,1138 1.043,1139 79.842,1140 26.894,1141 5.424,1142 5.288,1143 6.431,1144 5.226,1145 5.196,1146 7.602,1147 1.043,1148 18.112,1149 5.106,1150 4.849,1151 1.486,1152 1.478,1153 1.505,1154 1.481,1155 1.48,1156 2.071,1157 0.055,1158 4.202,1159 1.415,1160 4.155,1161 4.192,1162 4.114,1163 4.062,1164 4.984,1165 4.071,1166 3.876,1167 3.942,1168 3.819,1169 3.669,1170 4.881,1171 3.699,1172 3.521,1173 3.591,1174 3.387,1175 3.375,1176 4.296,1177 3.369,1178 3.298,1179 3.364,1180 3.139,1181 3.173,1182 3.967,1183 3.155,1184 2.956,1185 3.042,1186 2.782,1187 2.793,1188 3.698,1189 2.782,1190 2.778,1191 2.862,1192 2.603,1193 2.601,1194 3.564,1195 2.588,1196 2.472,1197 2.573,1198 2.262,1199 2.288,1200 3.327,1201 2.271,1202 2.423,1203 2.524,1204 2.234,1205 2.254,1206 3.114,1207 2.237,1208 0.244,1209 0.173,1210 0.355,1211 0.219,1212 0.168,1213 4.639,1214 0.242,1215 3.288,1216 0.027,1217 6.752,1218 0.583,1219 4.167,1220 0.163,1221 3.196,1222 4.602,1223 0.522,1224 11.077,1225 3.106,1226 1.946,1227 1.921,1228 2.043,1229 2.035,1230 1.21,1231 2.039,1232 1.71,1233 1.649,1234 1.89,1235 1.911,1236 1.096,1237 1.906,1238 1.501,1239 1.427,1240 1.737,1241 1.721,1242 0.885,1243 1.732,1244 1.31,1245 1.246,1246 1.501,1247 1.526,1248 0.539,1249 1.518,1250 1.192,1251 1.122,1252 1.392,1253 1.404,1254 0.389,1255 1.419,1256 0.954,1257 0.89,1258 1.187,1259 1.144,1260 0.278,1261 1.166,1262 0.762,1263 0.69,1264 1.078,1265 0.958,1266 0.143,1267 1.004,1268 0.521,1269 0.412,1270 0.927,1271 0.783,1272 0.062,1273 0.839,1274 3.664,1276 4.963,1277 3.045,1278 6.46,1279 5.352,1280 8.05,1281 7.413,1282 9.695,1284 2.174,1290 1.887,1300 20.225,1301 43.339,1302 104.349,1303 139.245,1304 149.245,1305 151.245,1306 151.245,1307 14.597,1308 6.356,1309 22.75,1310 22.75,1311 16,1312 12.124,1313 4,1314 3.087,1315 23.614,1316 42,1317 36,1318 0.286,1319 125.702,1320 198.14,1321 298.472,1322 3950,1324 11.665,1325 0.686,1326 0.581,1327 11.665,1328 9.875,1329 8.381,1330 0.441,1331 0.311,1332 5.835,1333 8.104,1334 5.672,1335 4.738,1336 8.381,1337 5.907,1338 7.162,1339 0.275,1340 0.161,1341 7.162,1342 4.193,1343 6.327,1344 0.176,1345 0.087,1346 6.327,1347 3.124,1348 5.512,1349 0.112,1350 0.047,1351 5.512,1352 2.287,1353 4.037,1354 0.073,1355 0.027,1356 4.037,1357 1.485,1358 0.426,1359 51.975,1360 0.276,1361 16.867,1362 0.855,1363 90,1364 214.935,1365 95.939,1366 215.086,1367 306.87,1368 204,1369 107,1370 237.099,1371 114.188,1372 243.467,1373 354.87,1374 229,1375 8.076} {0 CHEMBL1159655,1 1.47,2 11.55,3 5.366,4 28.797,5 161.907,6 6.681,7 0.279,8 4.498,9 4.628,10 3.983,11 4.042,12 5.49,13 3.972,14 5.09,15 5.281,16 4.373,17 4.48,18 6.014,19 4.377,20 5.462,21 5.685,22 4.498,23 4.696,24 6.386,25 4.557,26 5.633,27 5.904,28 4.498,29 4.705,30 6.525,31 4.547,32 5.577,33 5.824,34 4.498,35 4.641,36 6.642,37 4.519,38 5.548,39 5.788,40 4.554,41 4.716,42 6.525,43 4.593,44 5.682,45 5.922,46 4.65,47 4.856,48 6.615,49 4.7,50 5.786,51 6.049,52 4.667,53 4.876,54 6.743,55 4.714,56 0.094,57 1.195,58 20.955,59 8.836,60 17.794,61 11.893,62 0.308,63 2.017,64 40.12,65 15.263,66 40.161,67 20.924,68 0.661,69 2.705,70 59.891,71 20.598,72 75.815,73 28.659,74 0.69,75 2.909,76 72.569,77 23.679,78 99.669,79 32.841,80 1.146,81 2.735,82 69.738,83 20.507,84 181.089,85 28.739,86 0.858,87 2.809,88 63.372,89 20.92,90 121.65,91 29.575,92 0.714,93 3.192,94 75.949,95 26.462,96 111.657,97 35.585,98 1.059,99 3.366,100 88.535,101 28.219,102 162.409,103 38.243,104 68,105 61,106 0.223,107 0.539,108 0.753,109 0.834,110 0.855,111 0.862,112 3.718,113 1.082,114 -4.74,115 -4.65,116 -4.37,118 37.6,119 4,120 5,121 2,124 3,126 3,129 1,140 8,141 2,142 2,154 2,168 16,172 3,175 2,177 6,180 22,185 1,186 5,189 2,190 1,191 7,194 13,198 8,201 1,203 5,206 3,210 9,213 2,214 1,215 8,218 4,221 1,222 3,225 1,226 1,227 12,229 5,234 7,237 1,238 1,239 10,242 12,247 9,251 1,252 10,255 17,258 1,259 6,262 2,264 5,267 24,270 3516,271 26.154,272 26.154,273 26.154,274 26.154,275 26.154,276 24.324,277 26.095,278 15.314,279 26.565,280 21.21,281 21.21,282 21.21,283 21.21,284 21.21,285 18.522,286 35.831,287 7.292,288 21.918,289 4.94,290 2.857,291 1.45,292 0.918,293 0.777,294 0.73,295 4.405,300 1,301 975,302 5.196,306 549.518,310 213.911,313 1.618,314 47.933,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.83,323 1,324 0.83,325 85.5,326 462,327 4.414,328 4.417,329 6.61,330 4.169,331 3.199,332 4.069,333 2.95,334 10.601,335 3.102,336 4.252,337 3.816,338 6.557,339 4.058,340 3.069,341 3.446,342 1.959,343 10.162,344 3.04,345 4.039,346 3.617,347 6.381,348 4.005,349 3.03,350 3.341,351 1.058,352 9.925,353 2.954,354 3.917,355 3.196,356 6.063,357 3.73,358 2.775,359 3.048,360 0.815,361 8.735,362 2.646,363 3.802,364 3.063,365 5.981,366 3.56,367 2.576,368 3.003,369 0.163,370 8.41,371 2.53,372 3.659,373 2.953,374 5.473,375 3.423,376 2.488,377 2.713,379 6.951,380 2.312,381 3.552,382 2.909,383 5.335,384 3.242,385 2.257,386 2.673,388 6.675,389 2.208,390 3.092,391 2.64,392 5.057,393 2.916,394 1.95,395 2.136,397 5.831,398 1.868,399 2.92,400 2.399,401 4.443,402 2.551,403 1.564,404 2.064,406 4.32,407 1.546,408 2.871,409 1.896,410 4.362,411 2.483,412 1.523,413 2.031,415 3.893,416 1.446,417 2.775,418 1.772,419 4.025,420 2.425,421 1.447,422 1.796,424 3.315,425 1.414,426 2.621,427 1.709,428 3.811,429 2.414,430 1.414,431 1.606,433 3.163,434 1.401,435 2.5,436 1.511,437 3.647,438 2.345,439 1.36,440 1.5,442 3.021,443 1.327,444 2.428,445 1.475,446 3.613,447 2.09,448 1.13,449 1.423,451 2.818,452 1.067,453 2.285,454 1.408,455 3.549,456 2,457 1,458 1.254,460 2.136,461 1,462 19.367,463 0.484,464 1.244,465 0.031,466 40.25,467 1.006,468 16,469 0.4,470 24.25,471 0.606,472 54.898,473 1.372,474 46.033,475 0.542,476 33.788,477 0.845,478 6.868,479 0.172,480 12.146,481 0.304,482 0.172,483 0.026,484 0.305,487 0.836,488 1.275,489 0.904,490 1.082,491 0.749,492 1.07,493 0.676,494 1.227,495 0.978,496 1.116,497 0.539,498 1.06,499 0.959,500 1.161,501 1.133,502 1.153,503 0.875,504 1.15,505 1.064,506 1.033,507 0.965,508 1.006,509 1.033,510 0.942,511 1.56,512 0.99,513 1.09,514 0.928,515 1.677,516 0.916,517 1.208,518 0.972,519 0.943,520 0.883,521 1.125,522 0.952,523 1.109,524 1.104,525 1.098,526 1.108,527 1.083,528 1.072,529 1.231,530 0.955,531 1.093,532 1.005,533 1.208,534 0.922,535 9.5,536 0.479,537 4.889,538 2.875,539 2.631,540 1.736,541 1.184,542 1.089,543 0.732,544 0.578,545 23573,546 52391,547 2.001,548 52.9,549 12,550 17,553 4,555 12,558 1.809,559 1.839,560 3.485,561 1.382,567 124.91,568 1.47,569 3.553,570 4.959,571 5.491,572 5.632,573 5.68,574 2.805,575 4.615,576 5.295,577 3.725,578 2905.57,579 9.403,580 50756,585 544.798,586 1.629,587 5.228,588 0.221,589 0.007,590 0.08,591 0.046,592 0.043,593 0.028,594 0.017,595 0.015,596 0.01,597 0.009,598 0.477,600 0.88,601 0.997,602 223.164,603 -0.061,604 -0.011,605 0.046,606 0.065,607 -0.071,608 0.048,609 0.076,610 -0.05,611 0.038,612 -0.011,613 0.075,614 0.006,615 0.014,616 -0.056,617 -0.1,618 -0.115,619 -0.02,620 -0.14,622 -0.055,623 0.069,624 -0.025,625 0.008,626 0.027,627 -0.029,628 0.01,629 -0.019,630 0.025,631 -0.02,632 0.019,633 -0.012,634 0.076,635 0.013,636 0.056,637 0.01,638 0.012,639 -0.035,640 -0.073,641 -0.027,642 -0.062,643 -0.034,644 -0.07,645 -0.031,646 0.023,647 0.035,648 0.031,649 -0.009,650 0.054,651 2.22,652 6.461,653 0.55,654 44.205,655 0.991,656 1.129,657 3.51,658 12.317,659 0.641,660 3.784,661 4.127,662 4.331,663 4.564,664 4.779,665 4.836,666 4.97,667 5.088,668 5.182,669 5.193,670 7.759,671 0.59,672 567.87,673 3.784,674 5.342,675 6.176,676 7.057,677 7.908,678 8.792,679 9.652,680 10.537,681 11.403,682 12.289,683 3.5,686 1,690 2,699 8,704 4,706 12,712 1,721 1,724 85,726 14,727 2,728 43,730 88,731 32,733 12,734 4,735 8,736 1,739 4,740 5,745 4,748 6,749 2,751 8,753 14,754 18,755 3,756 2,761 2,765 2,772 45,773 7,774 4,775 8,776 1,779 3,784 0.75,785 4,787 1,802 4,806 1,816 1,828 1,830 1,832 3,833 1,834 1,836 4,840 40,845 2,846 8,847 2,849 1,850 5,851 1,852 1,862 4.7,863 1,864 1,865 2,869 21.75,870 15.683,871 8.653,872 5.272,874 1.284,875 1.162,876 0.902,877 10.613,878 9.226,879 3.951,880 4.443,881 4.832,882 5.244,883 5.609,884 5.538,885 5.695,886 5.752,887 5.939,888 6.128,889 1,890 63,891 15.072,893 6.545,894 7.719,895 29.172,897 24.847,899 2.219,900 88.75,904 482.615,905 178.445,906 39.146,908 135.657,910 32.22,911 146.226,912 618.272,913 39.146,914 35.301,915 53.805,916 118.493,917 102.382,918 11.046,920 514.835,922 482.615,923 185.372,924 135.657,925 32.22,927 341.362,928 234.226,929 42.683,931 92.23,932 93.141,934 32.22,935 482.615,936 174.802,937 178.445,940 482.615,941 67.334,942 114.235,943 36.022,944 135.657,945 482.615,946 174.802,947 178.445,949 0.589,950 0.327,951 0.171,952 0.093,953 27,954 14,955 0.114,956 10,957 1,958 1.091,959 4.719,960 398.953,961 0.091,962 22,963 204.122,964 1,968 30.896,969 13.741,970 8.487,972 174.802,973 14.797,978 1.994,980 121.388,981 835.863,982 51,987 26.794,991 -0.322,994 84.247,995 95.972,996 0.229,997 0.554,998 0.774,999 0.857,1000 0.879,1001 0.886,1002 5.231,1003 1.95,1004 6.196,1005 6.675,1006 4.812,1007 5.13,1008 3.339,1009 7.018,1010 4.75,1011 6.411,1012 1.564,1013 7.772,1014 5.831,1015 4.575,1016 4.934,1017 1.668,1018 8.065,1019 4.49,1020 7.707,1021 1.523,1022 9.451,1023 4.32,1024 6.46,1025 7.121,1026 5.166,1027 11.07,1028 6.341,1029 9.028,1030 1.447,1031 11.188,1032 3.893,1033 6.986,1034 7.67,1035 3.135,1036 12.866,1037 6.845,1038 10.379,1039 1.414,1040 12.96,1041 3.315,1042 8.398,1043 9.422,1044 7.236,1045 15.436,1046 8.229,1047 11.749,1048 1.36,1049 14.756,1050 3.163,1051 9.253,1052 10.325,1053 4.573,1054 17.526,1055 9.062,1056 13.134,1057 1.13,1058 16.568,1059 3.021,1060 10.486,1061 11.9,1062 9.369,1063 19.945,1064 10.272,1065 3.199,1066 1,1067 18.391,1068 2.818,1069 11.488,1070 12.997,1071 5.975,1072 22.162,1073 11.252,1074 3.069,1075 10.601,1076 20.223,1077 2.136,1078 12.652,1079 14.487,1080 11.52,1081 24.524,1082 12.394,1083 3.03,1084 10.162,1085 22.061,1086 4.069,1087 13.722,1088 15.701,1089 7.353,1090 26.8,1091 13.441,1092 2.775,1093 9.925,1094 23.905,1095 3.446,1096 14.862,1097 17.146,1098 13.679,1099 29.142,1100 14.558,1101 2.576,1102 8.735,1103 25.752,1104 3.341,1105 15.964,1106 18.431,1107 8.717,1108 31.446,1109 15.637,1110 2.488,1111 8.41,1112 27.604,1113 3.048,1114 17.096,1115 19.853,1116 15.84,1117 33.781,1118 16.747,1119 2.257,1120 6.951,1121 29.459,1122 3.003,1123 18.214,1124 21.183,1125 10.073,1126 36.1,1127 17.842,1128 22822,1129 34264,1130 27.739,1131 54.472,1132 65.09,1133 69.513,1134 66.124,1135 64.153,1136 64.189,1137 74.997,1138 13.89,1139 186.525,1140 62.157,1141 5.414,1142 6.417,1143 6.412,1144 5.278,1145 5.199,1146 7.069,1147 5.9,1148 17.676,1149 5.102,1150 24.307,1151 1.514,1152 1.617,1153 1.538,1154 1.492,1155 1.493,1156 1.744,1157 0.323,1158 4.338,1159 1.446,1160 4.028,1161 4.075,1162 4.034,1163 3.926,1164 7.431,1165 3.919,1166 3.944,1167 3.97,1168 3.909,1169 3.859,1170 7.427,1171 3.857,1172 3.876,1173 3.901,1174 3.875,1175 3.846,1176 6.469,1177 3.818,1178 3.762,1179 3.825,1180 3.641,1181 3.607,1182 6.448,1183 3.606,1184 3.707,1185 3.76,1186 3.622,1187 3.559,1188 4.745,1189 3.553,1190 3.54,1191 3.602,1192 3.434,1193 3.386,1194 4.592,1195 3.377,1196 3.31,1197 3.369,1198 3.319,1199 3.133,1200 4.421,1201 3.119,1202 3.224,1203 3.27,1204 3.209,1205 3.057,1206 4.337,1207 3.051,1208 0.103,1209 0.103,1210 0.154,1211 0.097,1212 0.074,1213 4.414,1214 0.095,1215 4.417,1216 0.069,1217 6.61,1218 0.247,1219 4.169,1220 0.072,1221 3.199,1222 4.069,1223 2.95,1224 10.601,1225 3.102,1226 1.97,1227 1.923,1228 2.155,1229 2.116,1230 1.588,1231 2.13,1232 1.923,1233 1.904,1234 2.023,1235 2.023,1236 1.272,1237 2.023,1238 1.88,1239 1.858,1240 1.986,1241 1.946,1242 1.172,1243 1.973,1244 1.742,1245 1.682,1246 1.975,1247 1.933,1248 1.136,1249 1.949,1250 1.68,1251 1.628,1252 1.878,1253 1.867,1254 1.11,1255 1.876,1256 1.521,1257 1.463,1258 1.747,1259 1.718,1260 1.045,1261 1.734,1262 1.289,1263 1.219,1264 1.583,1265 1.508,1266 0.929,1267 1.531,1268 1.21,1269 1.138,1270 1.552,1271 1.418,1272 0.761,1273 1.469,1274 4.466,1276 5.802,1278 7.319,1280 8.918,1282 10.561,1284 7.686,1289 21.775,1290 7.1,1291 6.22,1293 1.575,1294 -0.686,1295 2.157,1296 -0.341,1300 50.173,1301 124.91,1302 301.969,1303 421.54,1304 466.759,1305 478.759,1306 482.759,1307 127.123,1308 7.941,1309 101.9,1310 127.2,1311 24,1312 12.825,1313 3.907,1314 3.17,1315 72.483,1316 182,1317 180,1318 0.184,1319 312.231,1320 556.47,1321 753.605,1322 31783,1324 28.863,1325 0.722,1326 0.626,1327 29.217,1328 25.045,1329 19.014,1330 0.442,1331 0.361,1332 14.491,1333 18.047,1334 13.886,1335 11.565,1336 19.468,1337 15.516,1338 18.141,1339 0.297,1340 0.222,1341 18.718,1342 13.564,1343 13.843,1344 0.185,1345 0.125,1346 14.52,1347 9.36,1348 11.405,1349 0.12,1350 0.075,1351 12.119,1352 7.089,1353 8.854,1354 0.075,1355 0.046,1356 9.535,1357 5.376,1358 0.286,1359 122.298,1360 0.19,1361 35.458,1362 0.518,1363 208,1364 510.942,1365 245.774,1366 516.188,1367 688.5,1368 480,1369 240,1370 473.323,1371 274.145,1372 495.505,1373 719.05,1374 464,1375 4.676} {0 CHEMBL116,1 1.617,2 11.743,3 2.954,4 8.725,5 134.479,6 7.224,7 0.324,8 4.326,9 4.438,10 3.965,11 3.822,12 5.365,13 3.78,14 4.906,15 5.071,16 4.278,17 4.217,18 6.088,19 4.147,20 5.2,21 5.404,22 4.32,23 4.378,24 6.244,25 4.259,26 5.329,27 5.574,28 4.371,29 4.368,30 6.388,31 4.267,32 5.274,33 5.454,34 4.469,35 4.394,36 6.624,37 4.33,38 5.385,39 5.59,40 4.417,41 4.488,42 6.596,43 4.396,44 5.445,45 5.664,46 4.454,47 4.543,48 6.515,49 4.443,50 5.493,51 5.731,52 4.434,53 4.555,54 6.653,55 4.434,56 0.14,57 0.998,58 19.029,59 7.008,60 27.888,61 8.957,62 0.684,63 1.562,64 32.394,65 11.704,66 83.389,67 15.26,68 0.745,69 1.96,70 49.484,71 15.781,72 89.892,73 20.424,74 0.964,75 2.038,76 57.765,77 15.962,78 146.888,79 21.259,80 1.338,81 2.008,82 55.487,83 15.32,84 211.756,85 19.682,86 1.217,87 2.186,88 57.533,89 17.648,90 190.422,91 23.026,92 0.931,93 2.313,94 58.549,95 18.58,96 152.366,97 25.091,98 1.381,99 2.396,100 62.367,101 19.255,102 205.838,103 26.6,104 52,105 51,106 0.255,107 0.584,108 0.78,109 0.849,110 0.855,111 0.855,112 3.589,113 1.071,114 -2.35,115 -2.38,116 -2.34,118 35.7,119 2,120 2,121 1,124 4,126 3,140 9,141 1,142 2,155 1,159 1,160 1,161 1,168 11,171 4,172 3,175 2,177 3,180 11,183 2,185 1,186 8,189 1,190 1,191 4,194 7,196 2,198 12,201 1,203 4,206 1,209 1,210 7,213 5,215 5,218 2,221 2,222 8,224 3,225 5,227 8,229 8,234 9,239 8,242 10,246 4,247 11,250 1,252 3,255 10,257 1,258 1,259 14,263 1,264 2,266 1,267 14,269 2,270 2481,271 22.841,272 22.841,273 22.841,274 22.841,275 22.841,276 20.919,277 25.592,278 13.659,279 23.388,280 18.276,281 18.276,282 18.276,283 18.276,284 18.276,285 15.382,286 27.585,287 6.544,288 19.195,289 4.513,290 2.427,291 1.183,292 0.747,293 0.707,294 0.707,295 4.262,300 1,301 857,302 5.292,305 128.637,306 293.835,313 1.551,314 58.377,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 77.5,326 411,327 4.933,328 4.726,329 7.669,330 4.439,331 3.516,332 4.759,333 2.186,334 13.634,335 3.221,336 4.002,337 3.685,338 6.107,339 3.826,340 2.867,341 3.462,342 0.86,343 8.931,344 2.751,345 3.859,346 3.041,347 5.624,348 3.533,349 2.604,350 3.411,351 0.4,352 7.383,353 2.428,354 3.8,355 2.813,356 5.477,357 3.457,358 2.478,359 2.981,360 0.366,361 7.064,362 2.407,363 3.6,364 2.695,365 5.286,366 3.369,367 2.388,368 2.657,370 6.66,371 2.323,372 3.338,373 2.517,374 5.028,375 3.204,376 2.23,377 2.421,379 5.983,380 2.172,381 3.243,382 2.412,383 4.809,384 3.021,385 2.06,386 2.297,388 5.399,389 1.955,390 3.06,391 1.948,392 4.63,393 2.726,394 1.758,395 2.167,397 4.762,398 1.692,399 2.903,400 1.924,401 4.205,402 2.497,403 1.507,404 2.051,406 3.79,407 1.49,408 2.55,409 1.663,410 3.81,411 2.248,412 1.288,413 1.519,415 3.055,416 1.232,417 2.5,418 1.444,419 3.551,420 2.012,421 1.132,422 1.5,424 2.59,425 1,426 2.5,427 1.263,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.181,436 1,437 3.36,438 2,439 1,440 1.166,442 2.244,443 0.984,444 2.009,445 1,446 3.247,447 1.817,448 0.879,449 0.953,451 2.136,452 0.816,453 1.618,454 0.939,455 3,456 1.543,457 0.618,458 0.618,460 1.372,461 0.566,462 16.533,463 0.472,464 1.026,465 0.029,466 38.75,467 1.107,468 17,469 0.486,470 21.75,471 0.621,472 37.832,473 1.081,474 41.067,475 0.587,476 35.711,477 1.02,478 7.403,479 0.212,480 9.242,481 0.264,482 0.165,483 0.05,484 0.266,487 0.744,488 1.424,489 0.891,490 1.327,491 0.766,492 1.087,493 0.79,494 1.133,495 0.895,496 1.028,497 0.598,498 1.041,499 0.979,500 1.263,501 1.263,502 1.287,503 0.855,504 1.161,505 1.271,506 0.899,507 1.053,508 0.908,509 1.44,510 0.821,511 1.319,512 1.147,513 1.34,514 1.219,515 1.527,516 1.041,517 1.295,518 0.987,519 1.164,520 1.037,521 1.521,522 1.036,523 1.206,524 1.081,525 0.941,526 1.009,527 1.3,528 1.046,529 0.933,530 0.952,531 0.94,532 0.927,533 0.827,534 0.982,535 9,536 0.271,537 4,538 2.785,539 2.128,540 1.466,541 1.065,542 0.755,543 0.714,544 0.38,545 16192,546 44559,547 1.971,548 50,549 6,550 20,553 4,555 3,556 2,558 1.777,559 1.818,560 3.472,561 1.548,567 113.164,568 1.617,569 3.702,570 4.947,571 5.383,572 5.422,573 5.422,574 2.883,575 4.672,576 5.1,577 3.664,578 2180.13,579 9.01,580 34354.9,585 429.05,586 1.608,587 5.037,588 0.243,589 0.006,590 0.078,591 0.056,592 0.041,593 0.025,594 0.018,595 0.013,596 0.013,597 0.007,598 0.5,599 0.17,600 0.63,601 0.904,602 187.725,604 -0.099,605 0.167,606 -0.051,607 -0.137,608 0.025,609 0.181,610 0.024,611 0.066,612 0.043,613 0.17,614 -0.018,615 -0.015,616 -0.172,617 -0.114,618 -0.147,619 -0.016,620 -0.141,621 -0.136,622 0.091,623 0.073,624 0.1,625 -0.143,626 0.134,627 0.055,628 -0.073,629 -0.118,630 -0.1,631 0.084,632 -0.07,633 -0.076,634 0.028,635 -0.129,636 -0.03,637 -0.076,638 -0.066,639 -0.136,640 -0.102,641 -0.025,642 -0.056,643 -0.147,644 -0.066,645 0.082,646 0.018,647 0.003,648 0.013,649 0.123,650 -0.012,651 4.821,652 6.396,653 0.486,654 36.003,655 1.007,656 1.133,657 1.12,658 1.255,659 0.637,660 3.638,661 3.951,662 4.127,663 4.317,664 4.466,665 4.454,666 4.477,667 4.511,668 4.595,669 4.533,670 7.205,671 0.6,672 505.7,673 3.638,674 5.176,675 5.994,676 6.86,677 7.702,678 8.571,679 9.425,680 10.297,681 11.157,682 12.031,683 4.3,686 1,687 1,690 1,699 9,704 3,706 12,716 1,724 70,726 15,727 2,728 37,730 72,731 25,733 12,734 3,735 9,739 3,740 3,745 2,748 2,751 5,753 13,754 12,755 1,756 3,760 1,761 3,765 1,772 35,773 9,774 4,775 10,776 1,779 3,784 1,785 6,787 1,790 1,801 1,802 2,829 1,830 1,831 1,832 3,834 1,836 2,840 35,841 1,844 1,845 1,846 6,847 1,848 2,850 4,851 1,862 8.6,863 1,865 3,866 1,867 1,869 19.25,870 12.317,871 7.694,872 4.085,874 1.475,875 1.208,876 0.916,877 9.953,878 8.55,879 3.85,880 4.369,881 4.736,882 5.13,883 5.544,884 5.54,885 5.605,886 5.6,887 5.774,888 5.851,889 0.875,890 50,891 13.446,893 6.072,894 7.969,895 24.735,897 20.409,899 2.469,900 86.417,904 364.904,905 141.465,906 52.426,908 134.141,910 5.807,911 135.657,912 499.045,913 52.426,914 17.65,915 36.476,916 166.674,917 80.458,918 20.012,919 6.763,920 364.904,922 364.904,923 188.084,924 134.141,925 5.807,927 306.049,928 139.313,929 53.683,931 55.645,932 132.439,933 5.807,935 364.904,936 186.567,937 141.465,939 5.807,940 364.904,941 32.721,942 104.455,943 18.011,944 167.038,945 364.904,946 186.567,947 141.465,949 0.581,950 0.319,951 0.165,952 0.092,953 21,954 11,955 0.167,956 12,958 1,959 4.373,960 319.761,962 17,963 167.525,967 1,968 27.432,969 12.698,970 8.191,972 186.567,973 15.325,978 1.434,980 93.591,981 692.937,982 46,986 -3.904,987 39.366,991 -0.669,994 70.483,995 79.315,996 0.264,997 0.604,998 0.807,999 0.878,1000 0.885,1001 0.885,1002 5.1,1003 1.758,1004 6.004,1005 5.399,1006 4.635,1007 5.056,1008 2.428,1009 6.817,1010 4.536,1011 6.292,1012 1.507,1013 7.576,1014 4.762,1015 4.369,1016 5.047,1017 1.784,1018 7.991,1019 4.193,1020 7.609,1021 1.288,1022 9.269,1023 3.79,1024 6.267,1025 7.216,1026 3.524,1027 11.051,1028 6.046,1029 8.968,1030 1.132,1031 11.043,1032 3.055,1033 6.825,1034 8.082,1035 3.59,1036 13.167,1037 6.494,1038 10.371,1039 1,1040 12.878,1041 2.59,1042 8.255,1043 9.83,1044 4.911,1045 15.88,1046 7.877,1047 11.809,1048 1,1049 14.759,1050 2.275,1051 9.189,1052 11.087,1053 5.289,1054 18.335,1055 8.687,1056 13.276,1057 0.879,1058 16.675,1059 2.244,1060 10.466,1061 12.704,1062 6.388,1063 20.97,1064 9.902,1065 3.516,1066 0.618,1067 18.621,1068 2.136,1069 11.573,1070 14.132,1071 6.93,1072 23.533,1073 10.888,1074 2.867,1075 13.634,1076 20.588,1077 1.372,1078 12.81,1079 15.707,1080 7.902,1081 26.15,1082 12.047,1083 2.604,1084 8.931,1085 22.573,1086 4.759,1087 13.995,1088 17.21,1089 8.539,1090 28.746,1091 13.119,1092 2.478,1093 7.383,1094 24.57,1095 3.462,1096 15.229,1097 18.772,1098 9.436,1099 31.36,1100 14.265,1101 2.388,1102 7.064,1103 26.578,1104 3.411,1105 16.449,1106 20.306,1107 10.13,1108 33.967,1109 15.381,1110 2.23,1111 6.66,1112 28.592,1113 2.981,1114 17.689,1115 21.865,1116 10.981,1117 36.579,1118 16.528,1119 2.06,1120 5.983,1121 30.612,1122 2.657,1123 18.926,1124 23.414,1125 11.71,1126 39.19,1127 17.666,1128 15928,1129 26609,1130 23.75,1131 44.574,1132 54.893,1133 56.839,1134 55.963,1135 54.68,1136 54.653,1137 66.923,1138 7.625,1139 154.553,1140 52.071,1141 5.925,1142 6.726,1143 7.471,1144 5.559,1145 5.516,1146 7.759,1147 3.889,1148 21.666,1149 5.221,1150 20.488,1151 1.484,1152 1.536,1153 1.513,1154 1.478,1155 1.477,1156 1.809,1157 0.206,1158 4.177,1159 1.407,1160 4.099,1161 4.088,1162 4.742,1163 4.076,1164 7.715,1165 3.99,1166 3.934,1167 3.963,1168 3.865,1169 3.869,1170 7.435,1171 3.859,1172 3.809,1173 3.84,1174 3.723,1175 3.646,1176 6.999,1177 3.64,1178 3.762,1179 3.811,1180 3.709,1181 3.605,1182 6.449,1183 3.61,1184 3.632,1185 3.689,1186 3.565,1187 3.478,1188 5.108,1189 3.47,1190 3.568,1191 3.578,1192 3.481,1193 3.455,1194 4.755,1195 3.4,1196 3.299,1197 3.315,1198 3.231,1199 3.01,1200 4.691,1201 3.038,1202 3.122,1203 3.178,1204 2.975,1205 2.92,1206 4.444,1207 2.942,1208 0.133,1209 0.128,1210 0.207,1211 0.12,1212 0.095,1213 4.933,1214 0.129,1215 4.726,1216 0.059,1217 7.669,1218 0.368,1219 4.439,1220 0.087,1221 3.516,1222 4.759,1223 2.186,1224 13.634,1225 3.221,1226 1.971,1227 1.976,1228 2.063,1229 2.064,1230 1.347,1231 2.094,1232 1.925,1233 1.896,1234 1.999,1235 2.013,1236 1.252,1237 2.031,1238 1.746,1239 1.694,1240 1.965,1241 1.91,1242 1.176,1243 1.929,1244 1.628,1245 1.579,1246 1.833,1247 1.839,1248 1.134,1249 1.837,1250 1.561,1251 1.512,1252 1.801,1253 1.753,1254 1.026,1255 1.772,1256 1.43,1257 1.432,1258 1.579,1259 1.63,1260 0.794,1261 1.652,1262 1.297,1263 1.253,1264 1.525,1265 1.598,1266 0.778,1267 1.594,1268 1.141,1269 1.092,1270 1.417,1271 1.411,1272 0.532,1273 1.407,1274 4.317,1276 5.631,1277 2.398,1278 7.117,1279 4.443,1280 8.685,1281 6.26,1282 10.299,1284 3.803,1288 5.717,1289 11.197,1290 1.778,1291 2.745,1292 10.664,1294 -2.292,1295 1.254,1300 41.969,1301 113.164,1302 259.129,1303 346.256,1304 376.785,1305 379.54,1306 379.54,1307 123.542,1308 7.076,1309 131.19,1310 139.57,1311 17,1312 12.574,1313 4,1314 3.322,1315 69.801,1316 147,1317 158,1318 0.221,1319 263.398,1320 467.95,1321 634.452,1322 9751,1324 25.424,1325 0.726,1326 0.6,1327 25.674,1328 20.986,1329 16.646,1330 0.45,1331 0.357,1332 11.717,1333 15.168,1334 11.291,1335 9.387,1336 17.435,1337 13.214,1338 15.544,1339 0.305,1340 0.218,1341 16.863,1342 11.122,1343 11.614,1344 0.19,1345 0.124,1346 12.928,1347 7.551,1348 9.091,1349 0.123,1350 0.075,1351 10.228,1352 5.518,1353 6.996,1354 0.081,1355 0.044,1356 8.159,1357 3.782,1358 0.342,1359 112.983,1360 0.205,1361 31.953,1362 0.621,1363 176,1364 554.978,1365 237.426,1366 540.861,1367 711.37,1368 498,1369 200,1370 468.76,1371 268.192,1372 507.919,1373 737.84,1374 474,1375 5.172} {0 CHEMBL116196,1 1.605,2 11.867,3 3.76,4 14.135,5 115.969,6 7.862,7 0.563,8 4.067,9 4.162,10 3.809,11 3.683,12 5.176,13 3.629,14 4.587,15 4.729,16 4.058,17 4.052,18 5.929,19 3.972,20 4.857,21 5.045,22 4.048,23 4.186,24 5.948,25 4.062,26 4.934,27 5.156,28 3.967,29 4.134,30 6.02,31 4.009,32 4.834,33 5.033,34 3.955,35 4.108,36 5.95,37 3.997,38 4.895,39 5.126,40 3.95,41 4.125,42 5.918,43 3.997,44 4.89,45 5.124,46 3.985,47 4.102,48 5.921,49 3.98,50 4.867,51 5.085,52 3.935,53 4.05,54 5.979,55 3.934,56 0.102,57 0.749,58 13.215,59 5.515,60 21.781,61 6.425,62 0.399,63 1.193,64 20.905,65 9.076,66 76.705,67 11.163,68 0.299,69 1.502,70 32.251,71 12.632,72 66.357,73 15.168,74 0.475,75 1.554,76 36.814,77 13.011,78 95.807,79 15.909,80 0.319,81 1.43,82 28.87,83 11.427,84 68.195,85 14.321,86 0.333,87 1.506,88 33.247,89 12.642,90 69.501,91 16.222,92 0.31,93 1.497,94 31.889,95 12.196,96 65.971,97 15.851,98 0.447,99 1.466,100 35.607,101 12.092,102 90.004,103 14.445,104 20,105 43,106 0.264,107 0.561,108 0.732,109 0.856,110 0.878,111 0.885,112 3.44,113 1.048,114 -3.69,115 -3.66,116 -3.48,118 42.6,120 4,124 1,140 10,141 4,142 1,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 4,194 17,195 1,198 8,203 5,206 13,207 2,210 8,215 5,218 12,219 2,222 8,227 5,229 10,230 3,234 10,239 5,242 11,243 1,247 8,252 2,253 1,255 10,256 1,259 5,260 1,262 2,263 1,264 2,267 12,268 1,270 1712,271 19.955,272 19.955,273 19.955,274 19.955,275 19.955,276 17.286,277 18.751,278 12.173,279 20.195,280 15.862,281 15.862,282 15.862,283 15.862,284 15.862,285 11.814,286 20.657,287 5.871,288 16.255,289 4.15,290 2.337,291 1.301,292 0.546,293 0.407,294 0.37,295 4.122,299 1,300 1,301 747,302 4.183,306 337.568,313 1.693,314 38.124,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 65,326 356,327 4.842,328 4.683,329 7.292,330 4.289,331 3.372,332 4.694,333 2.341,334 12.402,335 3.062,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.507,349 2.514,350 3.435,352 7.187,353 2.495,354 3.57,355 2.75,356 5.042,357 3.266,358 2.263,359 3.053,361 6.11,362 2.252,363 3.555,364 2.404,365 4.923,366 3.065,367 2.07,368 2.757,370 5.599,371 2.056,372 3.349,373 2.157,374 4.855,375 3,376 2,377 2.6,379 5.371,380 1.996,381 3.297,382 2.055,383 4.586,384 2.921,385 1.925,386 2.535,388 4.972,389 1.911,390 2.849,391 1.55,392 3.713,393 2.37,394 1.403,395 2,397 3.026,398 1.355,399 2.709,400 1.473,401 3.588,402 2.255,403 1.282,404 1.786,406 2.87,407 1.242,408 2.5,409 1.127,410 3.389,411 2.009,412 1.03,413 1.5,415 2.344,416 1.007,417 2.5,418 1.044,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.25,427 1,428 3.247,429 1.956,430 1,431 1.204,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.422,446 2.914,447 0.991,453 1.135,454 0.266,455 2.862,456 0.893,457 -0.082,458 -0.095,460 -0.214,461 -0.08,462 14.467,463 0.482,464 0.751,465 0.025,466 40.25,467 1.342,468 22.5,469 0.75,470 17.75,471 0.592,472 23.728,473 0.791,474 32.333,475 0.599,476 31.478,477 1.049,478 7.919,479 0.264,480 6.501,481 0.217,482 0.092,483 0.058,484 0.207,487 0.587,488 1.179,489 0.839,490 1.158,491 0.684,492 0.941,493 0.472,494 1.066,495 0.913,496 1.038,497 0.461,498 1.048,499 0.904,500 1.151,501 1.199,502 1.199,503 0.889,504 1.147,505 1.114,506 0.965,507 1.118,508 0.997,509 1.102,510 0.981,511 0.977,512 1.096,513 0.974,514 1.032,515 0.959,516 1.107,517 0.786,518 0.998,519 0.9,520 0.968,521 0.735,522 0.982,523 0.786,524 0.988,525 0.776,526 0.902,527 0.771,528 0.947,529 1.205,530 1.017,531 1.22,532 1.075,533 1.129,534 0.991,535 7,536 0.24,537 2.444,538 1.938,539 1.093,540 0.799,541 0.649,542 0.431,543 0.337,544 0.274,545 11982,546 36840,547 2.024,548 44.4,549 4,550 12,552 2,553 2,554 2,555 2,558 1.732,559 1.905,560 3.534,561 0.21,563 1,567 86.683,568 1.605,569 3.418,570 4.454,571 5.208,572 5.347,573 5.385,574 2.899,575 4.215,576 4.877,577 3.717,578 1616.95,579 8.527,580 23669.9,582 1,584 1,585 310.764,586 1.433,587 4.835,588 0.219,589 0.008,590 0.057,591 0.047,592 0.029,593 0.021,594 0.017,595 0.011,596 0.009,597 0.008,598 0.426,599 0.33,600 1,601 1.042,602 156.001,603 0.048,604 -0.036,605 0.181,606 -0.016,607 -0.113,608 0.047,609 0.288,610 0.016,611 -0.009,612 -0.028,613 0.265,614 -0.082,615 -0.094,616 -0.135,617 -0.155,618 -0.133,619 -0.074,620 -0.144,621 -0.135,622 0.011,623 -0.081,624 0.01,625 -0.096,626 0.011,627 -0.106,628 -0.114,629 -0.103,630 -0.095,631 -0.064,632 -0.131,633 -0.022,634 -0.04,635 0.032,636 -0.001,637 0.007,638 0.028,640 -0.029,641 0.119,642 0.029,643 -0.011,644 0.052,645 -0.146,646 -0.015,647 -0.107,648 -0.038,649 -0.116,650 -0.008,651 4.473,652 5.392,653 0.6,654 32.667,655 1.006,656 1.117,657 2.463,658 6.064,659 0.682,660 3.497,661 3.784,662 3.932,663 4.127,664 4.304,665 4.29,666 4.394,667 4.466,668 4.543,669 4.595,670 7.297,671 0.646,672 424.56,673 3.497,674 5.017,675 5.82,676 6.673,677 7.495,678 8.353,679 9.183,680 10.044,681 10.879,682 11.741,683 3.7,685 1,693 1,699 12,700 1,704 5,706 18,724 54,726 21,727 2,728 32,730 56,731 23,733 17,734 4,735 8,739 3,740 3,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,772 24,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,840 30,844 1,845 1,846 5,847 1,862 7.4,864 1,865 3,869 15.75,870 9.317,871 6.625,872 3.114,874 2.894,875 1.404,876 0.963,877 7.478,878 10.061,879 3.807,880 4.388,881 4.806,882 5.299,883 5.778,884 5.811,885 6.11,886 6.337,887 6.655,888 6.939,889 0.875,890 41,891 11.325,893 4.981,894 7.997,895 21.012,897 17.174,899 2.497,900 74.917,903 1,904 258.964,905 146.111,906 33.191,908 112.141,910 5.807,911 140.304,912 371.105,913 33.191,915 12.244,916 116.975,917 153.379,918 32.388,920 235.422,922 258.964,923 173.495,924 112.141,925 5.807,927 235.422,928 135.683,931 46.744,932 109.965,933 22.593,935 258.964,936 145.332,937 146.111,939 5.807,940 258.964,941 27.447,942 112.857,943 16.405,944 128.927,945 258.964,946 145.332,947 146.111,949 0.572,950 0.305,951 0.157,952 0.088,953 18,954 8,955 0.179,956 10,958 1,959 4.194,960 248.323,962 18,963 141.207,967 1,968 21.855,969 10.265,970 6.874,972 145.332,973 21.639,974 4.136,978 4.236,980 59.088,981 550.407,982 44,986 -3.557,987 35.749,991 -0.843,994 54.309,995 60.321,996 0.279,997 0.594,998 0.774,999 0.905,1000 0.929,1001 0.936,1002 5.014,1003 1.403,1004 5.808,1005 4.972,1006 4.466,1007 5.075,1008 2.35,1009 6.581,1010 4.416,1011 6.23,1012 1.282,1013 7.347,1014 3.026,1015 4.111,1016 5.027,1017 2.243,1018 7.695,1019 3.981,1020 7.552,1021 1.03,1022 9.004,1023 2.87,1024 6.066,1025 7.318,1026 3.64,1027 10.683,1028 5.932,1029 8.918,1030 1,1031 10.742,1032 2.344,1033 6.538,1034 8.102,1035 4.112,1036 12.713,1037 6.278,1038 10.322,1039 1,1040 12.539,1041 2.136,1042 8.005,1043 9.923,1044 5.203,1045 15.332,1046 7.734,1047 11.756,1048 0.555,1049 14.379,1050 2.136,1051 8.87,1052 11.099,1053 5.889,1054 17.692,1055 8.453,1056 13.215,1058 16.254,1059 1.251,1060 10.153,1061 12.742,1062 6.849,1063 20.227,1064 9.7,1065 3.372,1066 -0.082,1067 18.155,1069 11.204,1070 14.108,1071 7.625,1072 22.693,1073 10.609,1074 2.856,1075 12.402,1076 20.077,1077 -0.214,1078 12.423,1079 15.682,1080 8.526,1081 25.212,1082 11.765,1083 2.514,1084 8.482,1085 22.014,1086 4.694,1087 13.558,1088 17.139,1089 9.342,1090 27.712,1091 12.77,1092 2.263,1093 7.187,1094 23.963,1095 3.858,1096 14.76,1097 18.688,1098 10.216,1099 30.228,1100 13.888,1101 2.07,1102 6.11,1103 25.922,1104 3.435,1105 15.933,1106 20.189,1107 11.051,1108 32.74,1109 14.941,1110 2,1111 5.599,1112 27.887,1113 3.053,1114 17.133,1115 21.73,1116 11.912,1117 35.256,1118 16.045,1119 1.925,1120 5.371,1121 29.857,1122 2.757,1123 18.325,1124 23.253,1125 12.755,1126 37.772,1127 17.122,1128 11714,1129 20690,1130 21.148,1131 36.852,1132 46.873,1133 47.938,1134 47.172,1135 46.613,1136 46.543,1137 63.12,1138 6.042,1139 127.775,1140 45.469,1141 5.746,1142 6.683,1143 7.094,1144 5.326,1145 5.372,1146 7.694,1147 3.925,1148 19.546,1149 5.062,1150 14.584,1151 1.465,1152 1.498,1153 1.474,1154 1.457,1155 1.454,1156 1.972,1157 0.189,1158 3.993,1159 1.421,1160 4.084,1161 4.08,1162 4.735,1163 4.065,1164 7.717,1165 3.989,1166 3.99,1167 4.001,1168 3.945,1169 3.945,1170 7.474,1171 3.923,1172 3.827,1173 3.868,1174 3.76,1175 3.735,1176 6.999,1177 3.735,1178 3.66,1179 3.687,1180 3.675,1181 3.561,1182 6.351,1183 3.506,1184 3.575,1185 3.592,1186 3.495,1187 3.411,1188 4.905,1189 3.408,1190 3.342,1191 3.374,1192 3.238,1193 3.219,1194 4.72,1195 3.193,1196 3.154,1197 3.195,1198 3.039,1199 2.986,1200 4.68,1201 2.99,1202 2.928,1203 2.98,1204 2.778,1205 2.735,1206 4.082,1207 2.73,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.842,1214 0.147,1215 4.683,1216 0.073,1217 7.292,1218 0.388,1219 4.289,1220 0.096,1221 3.372,1222 4.694,1223 2.341,1224 12.402,1225 3.062,1226 1.997,1227 1.98,1228 2.106,1229 2.076,1230 1.341,1231 2.097,1232 1.951,1233 1.95,1234 1.996,1235 2.018,1236 1.178,1237 2.053,1238 1.814,1239 1.777,1240 1.944,1241 1.933,1242 1.095,1243 1.94,1244 1.59,1245 1.557,1246 1.798,1247 1.782,1248 1.066,1249 1.798,1250 1.489,1251 1.473,1252 1.654,1253 1.683,1254 0.819,1255 1.692,1256 1.291,1257 1.271,1258 1.387,1259 1.443,1260 0.587,1261 1.49,1262 1.114,1263 1.072,1264 1.196,1265 1.331,1266 0.495,1267 1.336,1268 0.886,1269 0.828,1270 1.181,1271 1.145,1272 0.256,1273 1.147,1274 4.174,1276 5.468,1278 6.944,1280 8.502,1282 10.104,1289 9.003,1290 1.922,1291 2.631,1300 34.884,1301 86.683,1302 184.551,1303 240.525,1304 281.254,1305 288.764,1306 290.764,1307 75.581,1308 7.166,1309 96.36,1310 104.74,1311 18,1312 12.296,1313 4.459,1314 3.7,1315 55.107,1316 128,1317 126,1318 0.2,1319 220.645,1320 385.95,1321 530.133,1322 12415,1324 21.399,1325 0.713,1326 0.577,1327 21.649,1328 17.308,1329 14.421,1330 0.451,1331 0.349,1332 9.731,1333 13.233,1334 9.385,1335 7.792,1336 15.242,1337 11.177,1338 13.232,1339 0.308,1340 0.205,1341 14.555,1342 8.817,1343 9.688,1344 0.194,1345 0.122,1346 10.795,1347 6.107,1348 7.765,1349 0.127,1350 0.07,1351 8.638,1352 4.285,1353 6.124,1354 0.084,1355 0.04,1356 6.82,1357 2.938,1358 0.318,1359 97.817,1360 0.217,1361 28.677,1362 0.54,1363 150,1364 466.195,1365 198.391,1366 473.799,1367 623.69,1368 434,1369 168,1370 409.319,1371 221.215,1372 454.069,1373 646.84,1374 424,1375 7.347} {0 CHEMBL11662,1 1.578,2 8.588,3 1.579,4 2.493,5 65.599,6 7.871,7 0.611,8 3.468,9 3.573,10 3.07,11 3.015,12 4.711,13 3.011,14 3.906,15 4.056,16 3.344,17 3.347,18 5.249,19 3.315,20 4.074,21 4.264,22 3.15,23 3.407,24 5.146,25 3.3,26 4.109,27 4.361,28 3.04,29 3.31,30 5.071,31 3.188,32 3.94,33 4.17,34 3.078,35 3.19,36 5.063,37 3.111,38 3.853,39 4.053,40 2.901,41 3.013,42 5.112,43 2.943,44 3.624,45 3.879,46 2.463,47 2.653,48 4.704,49 2.556,50 3.132,51 3.366,52 2.283,53 2.333,54 4.167,55 2.269,56 0.043,57 0.407,58 5.206,59 2.479,60 7.849,61 2.994,62 0.212,63 0.627,64 9.039,65 3.705,66 28.651,67 4.7,68 0.135,69 0.68,70 11.691,71 5.091,72 23.433,73 6.605,74 0.179,75 0.683,76 13.863,77 5.168,78 27.801,79 7.204,80 0.11,81 0.577,82 11.216,83 4.384,84 15.583,85 6.016,86 0.164,87 0.508,88 10.2,89 3.713,90 28.142,91 4.68,92 0.179,93 0.388,94 9.146,95 2.86,96 29.971,97 3.825,98 0.052,99 0.25,100 5,101 1.808,102 9.628,103 2.512,104 8,105 23,106 0.302,107 0.662,108 0.824,109 0.863,110 0.863,111 0.863,112 2.905,113 0.866,114 -2.99,115 -2.99,116 -2.88,118 44.8,124 1,133 2,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 3,191 1,194 7,195 1,198 4,203 1,206 3,207 2,210 5,215 2,218 1,219 2,222 5,227 2,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 295,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.773,277 10.659,278 7.063,279 11.612,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 6.461,286 15.208,287 3.424,288 9.199,289 3.28,290 1.398,291 0.552,292 0.345,293 0.345,294 0.345,295 3.561,299 1,300 1,301 303,302 2.739,305 51.956,306 57.97,313 1.73,314 13.658,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37,326 146,327 4.109,328 3.474,329 5.62,330 3.71,331 2.734,332 3.71,333 1.437,334 7.798,335 2.683,336 3.906,337 2.924,338 5.344,339 3.458,340 2.5,341 3.456,342 0.522,343 6.982,344 2.39,345 3.65,346 2.511,347 4.971,348 3.202,349 2.213,350 2.969,352 5.918,353 2.161,354 3.382,355 2.17,356 4.6,357 2.991,358 2,359 2.628,361 5.019,362 1.967,363 2.599,364 1.256,365 3.434,366 2.1,367 1.175,368 1.63,370 2.579,371 1.085,372 2.5,373 1,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.361,382 0.949,383 3,384 1.644,385 0.645,386 1.005,388 1.431,389 0.639,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.307,400 0.448,401 2.601,402 0.94,403 -0.039,404 -0.051,406 -0.096,407 -0.038,408 0.655,409 0.157,410 2,411 0.307,412 -0.667,413 -0.805,415 -1.706,416 -0.638,417 0.5,418 -0.538,419 1.912,420 0.003,421 -1,422 -1.309,424 -2,425 -0.956,426 0.481,427 -1,428 1.483,430 -1,431 -1.5,433 -3,434 -1,435 -0.004,436 -1.004,437 1,438 -0.221,439 -1.184,440 -1.55,442 -3.041,443 -1.187,444 -0.118,445 -1.372,446 1,447 -0.577,448 -1.537,449 -2.041,451 -3.512,452 -1.453,453 -0.137,454 -1.618,455 1,456 -0.705,457 -1.618,458 -2.427,460 -4.372,461 -1.498,462 7.967,463 0.469,464 0.349,465 0.021,466 23.75,467 1.397,468 13,469 0.765,470 10.75,471 0.632,472 8.781,473 0.517,474 17.833,475 0.615,476 14.859,477 0.874,478 5.106,479 0.3,480 3.131,481 0.184,482 0.084,484 0.238,487 0.812,488 1.299,489 0.754,490 1.025,491 0.73,492 0.906,493 0.623,494 0.94,495 0.932,496 0.935,497 0.384,498 0.962,499 0.745,500 1.155,501 1.166,502 1.252,503 0.762,504 1.29,505 0.65,506 0.911,507 0.939,508 0.956,509 0.598,510 0.991,511 0.601,512 0.98,513 0.748,514 0.985,515 0.516,516 0.908,517 1.295,518 1.148,519 1.167,520 1.166,521 1.333,522 1.153,523 1.333,524 0.827,525 1.085,526 0.819,527 1.359,528 0.888,529 0.713,530 1.095,531 0.753,532 1.014,533 0.686,534 0.906,535 3.5,536 0.046,537 1.111,538 0.472,539 0.577,540 0.313,541 0.231,542 0.164,543 0.031,544 0.065,545 2577,546 8701,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.56,559 1.925,560 3.113,561 -0.256,563 1,564 1,565 1,567 45.756,568 1.578,569 3.46,570 4.306,571 4.513,572 4.513,573 4.513,574 2.514,575 3.499,576 4.054,577 3.276,578 445.472,579 6.815,580 4191.13,582 1,584 1,585 140.881,586 1.261,587 4.03,588 0.194,589 0.008,590 0.048,591 0.026,592 0.036,593 0.018,594 0.018,595 0.021,596 0.004,597 0.011,598 0.385,599 0.67,600 1,601 1.325,602 72.396,603 -0.085,604 -0.198,605 0.014,606 -0.036,607 -0.101,608 -0.005,609 0.141,610 0.182,611 -0.104,612 0.013,613 0.244,614 -0.065,615 -0.092,616 -0.193,617 -0.29,618 -0.247,619 -0.089,620 -0.3,621 -0.014,622 0.018,623 0.037,624 0.033,625 -0.013,626 0.045,627 0.067,628 -0.049,629 0.212,630 0.014,631 0.129,632 0.122,633 -0.174,634 -0.221,635 -0.181,636 -0.206,637 -0.142,638 -0.198,639 -0.192,640 0.072,641 -0.004,642 0.126,643 -0.191,644 0.105,645 0.06,646 -0.158,647 0.242,648 -0.044,649 0.037,650 0.106,651 2.604,652 3.354,653 0.647,654 14.138,655 1.01,656 1.12,657 1.759,658 3.093,659 0.68,660 2.944,661 3.178,662 3.296,663 3.466,664 3.555,665 3.497,666 3.555,667 3.611,668 3.497,669 3.367,670 5.307,671 0.659,672 228.27,673 2.944,674 4.419,675 5.198,676 6.019,677 6.819,678 7.642,679 8.451,680 9.275,681 10.09,682 10.914,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 29,726 13,727 1,728 18,730 30,731 13,733 9,734 2,735 4,736 3,739 2,740 2,753 12,754 1,756 2,761 1,763 2,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,822 2,830 1,832 2,840 17,845 1,846 1,862 6.9,864 1,865 1,869 8.833,870 5.017,871 3.833,872 1.528,874 2.357,875 1.402,876 0.935,877 3.604,878 8.221,879 3.277,880 3.801,881 4.271,882 4.753,883 5.104,884 5.265,885 5.621,886 5.99,887 6.183,888 6.306,889 0.833,890 18,891 6.202,893 2.513,894 8,895 11.575,897 8.922,899 2.5,900 42.5,901 0.001,904 129.482,905 92.958,906 18.685,908 67.828,911 92.958,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 17.318,919 11.771,920 94.169,922 129.482,923 111.642,924 67.828,927 129.482,928 67.828,931 21.671,932 54.233,933 35.738,935 129.482,936 86.513,937 92.958,940 129.482,941 9.387,942 85.47,944 84.614,945 129.482,946 86.513,947 92.958,949 0.562,950 0.29,951 0.147,952 0.078,953 10,954 4,955 0.133,956 4,958 1,959 3.093,960 105.997,962 11,963 62.732,968 11.459,969 5.347,970 3.486,972 84.614,973 13.14,974 3.971,978 2.025,979 1.974,980 42.683,981 308.953,982 25.5,987 10.354,989 2.703,991 -0.938,994 29.276,995 32.491,996 0.325,997 0.712,998 0.886,999 0.929,1000 0.929,1001 0.929,1002 4.44,1003 0.618,1004 5.13,1005 1.431,1006 3.85,1007 4.483,1008 1.736,1009 5.784,1010 3.794,1011 5.617,1012 -0.039,1013 6.586,1014 1.372,1015 3.219,1016 3.98,1018 6.326,1019 3.141,1020 6.874,1021 -0.667,1022 8.129,1023 -0.096,1024 5.293,1025 6.561,1026 2.269,1027 9.304,1028 5.186,1029 8.163,1030 -1,1031 9.722,1032 -1.706,1033 5.442,1034 6.872,1036 10.632,1037 5.305,1038 9.476,1039 -1,1040 11.344,1041 -2,1042 6.956,1043 8.85,1044 2.925,1045 13.068,1046 6.8,1047 10.807,1048 -1.184,1049 12.987,1050 -3,1051 7.476,1052 9.557,1054 14.74,1055 7.286,1056 12.149,1057 -1.537,1058 14.643,1059 -3.041,1060 8.732,1061 11.246,1062 3.619,1063 16.959,1064 8.529,1065 2.734,1066 -1.618,1067 16.309,1068 -3.512,1069 9.453,1070 12.177,1072 18.804,1073 9.217,1074 2.5,1075 7.798,1076 17.982,1077 -4.372,1078 10.58,1079 13.709,1080 4.33,1081 20.925,1082 10.332,1083 2.213,1084 6.982,1085 19.66,1086 3.71,1087 11.415,1088 14.774,1090 22.861,1091 11.138,1092 2,1093 5.918,1094 21.344,1095 3.456,1096 12.474,1097 16.216,1098 5.047,1099 24.937,1100 12.185,1101 1.175,1102 5.019,1103 23.031,1104 2.969,1105 13.376,1106 17.365,1108 26.922,1109 13.06,1110 1,1111 2.579,1112 24.721,1113 2.628,1114 14.401,1115 18.752,1116 5.769,1117 28.977,1118 14.072,1119 0.645,1120 2.275,1121 26.414,1122 1.63,1123 15.341,1124 19.954,1126 30.989,1127 14.99,1128 2615,1129 4874,1130 12.019,1131 19.727,1132 26.584,1133 26.359,1134 25.969,1135 25.762,1136 25.768,1137 35.649,1138 3.916,1139 66.746,1140 25.003,1141 4.877,1142 5.474,1143 5.235,1144 4.742,1145 4.734,1146 6.71,1147 2.873,1148 13.342,1149 4.683,1150 7.252,1151 1.477,1152 1.464,1153 1.443,1154 1.431,1155 1.432,1156 1.98,1157 0.218,1158 3.708,1159 1.389,1160 4.003,1161 4.049,1162 3.943,1163 3.914,1164 7.476,1165 3.913,1166 3.829,1167 3.877,1168 3.771,1169 3.655,1170 6.351,1171 3.68,1172 3.543,1173 3.553,1174 3.483,1175 3.384,1176 4.963,1177 3.399,1178 3.096,1179 3.138,1180 2.997,1181 2.906,1182 4.733,1183 2.921,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.128,1189 2.715,1190 2.775,1191 2.829,1192 2.611,1193 2.484,1194 3.675,1195 2.513,1196 2.479,1197 2.575,1198 2.272,1199 2.284,1200 3.674,1201 2.273,1202 2.336,1203 2.425,1204 2.174,1205 2.088,1206 3.345,1207 2.096,1208 0.228,1209 0.193,1210 0.312,1211 0.206,1212 0.152,1213 4.109,1214 0.206,1215 3.474,1216 0.08,1217 5.62,1218 0.433,1219 3.71,1220 0.149,1221 2.734,1222 3.71,1223 1.437,1224 7.798,1225 2.683,1226 1.948,1227 1.922,1228 2.058,1229 2.033,1230 1.202,1231 2.043,1232 1.578,1233 1.534,1234 1.731,1235 1.781,1236 0.867,1237 1.766,1238 1.403,1239 1.363,1240 1.563,1241 1.618,1242 0.571,1243 1.592,1244 1.286,1245 1.217,1246 1.458,1247 1.524,1248 0.412,1249 1.51,1250 0.905,1251 0.873,1252 1.181,1253 1.165,1254 0.218,1255 1.148,1256 0.886,1257 0.821,1258 1.139,1259 1.062,1260 0.19,1261 1.107,1262 0.594,1263 0.536,1264 0.911,1265 0.937,1267 0.955,1268 0.261,1269 0.163,1270 0.692,1271 0.568,1273 0.617,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.757,1281 6.26,1282 9.285,1289 8.503,1290 0.767,1300 19.106,1301 45.756,1302 100.352,1303 124.881,1304 130.881,1305 130.881,1306 130.881,1307 21.553,1308 5.864,1309 55.12,1310 55.12,1311 11,1312 11.494,1313 3.807,1314 3.087,1315 28.723,1316 55,1317 45,1318 0.267,1319 121.773,1320 208.04,1321 288.887,1322 2190,1324 12.088,1325 0.711,1326 0.538,1327 12.088,1328 9.153,1329 8.237,1330 0.458,1331 0.289,1332 5.121,1333 7.915,1334 5.01,1335 4.193,1336 8.237,1337 5.196,1338 7.244,1339 0.315,1340 0.159,1341 7.244,1342 3.648,1343 5.26,1344 0.202,1345 0.089,1346 5.26,1347 2.322,1348 4.042,1349 0.13,1350 0.048,1351 4.042,1352 1.493,1353 2.978,1354 0.088,1355 0.028,1356 2.978,1357 0.936,1358 0.425,1359 51.69,1360 0.288,1361 17.695,1362 0.711,1363 82,1364 271.175,1365 89.953,1366 263.951,1367 346.76,1368 244,1369 90,1370 241.596,1371 96.849,1372 247.484,1373 348.78,1374 230,1375 5.427} {0 CHEMBL116673,1 1.648,2 17.263,3 3.356,4 11.261,5 145.916,6 7.735,7 0.439,8 4.321,9 4.433,10 3.945,11 3.871,12 5.442,13 3.836,14 4.848,15 5.009,16 4.259,17 4.238,18 5.93,19 4.169,20 5.089,21 5.3,22 4.281,23 4.321,24 6.124,25 4.233,26 5.078,27 5.288,28 4.314,29 4.268,30 6.186,31 4.2,32 5.05,33 5.242,34 4.227,35 4.279,36 6.143,37 4.205,38 5.075,39 5.29,40 4.18,41 4.304,42 6.125,43 4.2,44 5.077,45 5.321,46 4.09,47 4.285,48 6.049,49 4.143,50 5.003,51 5.255,52 3.996,53 4.185,54 5.935,55 4.057,56 0.098,57 1.008,58 14.107,59 6.521,60 13.127,61 8.112,62 0.396,63 1.61,64 29.986,65 11.029,66 42.752,67 13.793,68 0.558,69 1.89,70 39.536,71 13.58,72 65.757,73 17.383,74 0.645,75 1.868,76 41.243,77 12.455,78 78.943,79 15.89,80 0.593,81 1.768,82 37.269,83 12.838,84 76.859,85 15.948,86 0.671,87 1.84,88 37.511,89 13.409,90 73.916,91 17.682,92 0.565,93 1.841,94 39.383,95 14.241,96 67.302,97 19.419,98 0.429,99 1.671,100 36.935,101 13.206,102 53.299,103 18.024,104 19,105 53,106 0.258,107 0.601,108 0.798,109 0.88,110 0.895,111 0.899,112 3.667,113 0.998,114 -3.68,115 -3.65,116 -3.47,118 40.6,119 1,120 3,124 3,126 1,127 1,140 8,141 3,142 1,143 4,153 1,154 2,162 1,168 10,171 1,172 10,175 1,177 4,180 9,186 11,189 1,190 1,191 3,194 6,197 1,198 16,201 1,203 3,206 7,209 1,210 9,215 3,218 7,221 2,222 4,225 1,227 4,229 10,233 3,234 2,237 2,239 3,242 12,246 1,247 3,250 1,252 1,255 11,258 1,259 9,262 1,264 2,267 8,270 3438,271 26.25,272 26.25,273 26.25,274 26.25,275 26.25,276 23.605,277 23.102,278 16.291,279 26.949,280 20.262,281 20.262,282 20.262,283 20.262,284 20.262,285 16.317,286 22.888,287 7.73,288 21.241,289 4.461,290 2.268,291 1.007,292 0.486,293 0.388,294 0.359,295 4.364,300 1,301 1396,302 4.583,305 131.916,306 461.114,313 2.817,314 37.865,317 0.75,318 0.5,319 0.67,320 0.9,321 0.5,322 0.5,323 0.5,324 0.62,325 82.5,326 656,327 4.381,328 4.548,329 6.5,330 4.005,331 3.022,332 3.97,333 3.528,334 10.18,335 2.973,336 4.149,337 3.999,338 6.256,339 3.922,340 2.978,341 3.562,342 2.443,343 9.443,344 2.815,345 3.984,346 3.698,347 5.935,348 3.647,349 2.672,350 3.493,351 2.373,352 8.331,353 2.594,354 3.788,355 3.681,356 5.396,357 3.403,358 2.417,359 3.117,360 1.955,361 7.005,362 2.382,363 3.655,364 2.984,365 5.134,366 3.35,367 2.373,368 2.847,369 0.545,370 6.127,371 2.297,372 3.507,373 2.948,374 5.029,375 3.08,376 2.11,377 2.825,378 0.286,379 6.066,380 2.045,381 3.194,382 2.543,383 4.525,384 2.776,385 1.843,386 2.37,387 0.207,388 4.641,389 1.702,390 3.033,391 2.175,392 4.165,393 2.712,394 1.766,395 2.199,397 3.901,398 1.658,399 2.794,400 2.13,401 3.897,402 2.486,403 1.522,404 1.835,406 3.354,407 1.464,408 2.712,409 1.971,410 3.747,411 2.296,412 1.331,413 1.735,415 3.125,416 1.271,417 2.55,418 1.829,419 3.487,420 2.213,421 1.266,422 1.508,424 2.689,425 1.192,426 2.5,427 1.746,428 3.448,429 2,430 1.018,431 1.5,433 2.297,434 1,435 2.5,436 1.522,437 3.414,438 1.965,439 1,440 1.5,442 2.275,443 0.956,444 2.5,445 1.376,446 3.262,447 1.957,448 1,449 1.5,451 2.136,452 0.954,453 2.152,454 1.169,455 3.247,456 1.954,457 1,458 1.118,460 2.136,461 0.947,462 18.167,463 0.478,464 0.623,465 0.016,466 47.25,467 1.243,468 23,469 0.605,470 24.25,471 0.638,472 34.811,473 0.916,474 41.233,475 0.598,476 37.977,477 0.999,478 9.082,479 0.239,480 9.553,481 0.251,482 0.064,484 0.248,487 0.709,488 1.247,489 0.757,490 1.033,491 0.566,492 0.967,493 0.881,494 1.251,495 1.105,496 1.185,497 0.641,498 1.064,499 1.147,500 1.044,501 1.01,502 0.967,503 1.049,504 0.961,505 1.37,506 0.998,507 1.066,508 0.988,509 1.426,510 0.921,511 1.46,512 1.04,513 1.088,514 0.979,515 1.425,516 1.002,517 0.943,518 0.999,519 0.975,520 0.963,521 0.929,522 1.045,523 0.56,524 0.966,525 0.94,526 1.016,527 0.633,528 1.058,529 0.677,530 0.945,531 0.849,532 0.948,533 0.616,534 0.952,535 5.5,536 0.23,537 3.556,538 1.75,539 1.384,540 0.82,541 0.574,542 0.432,543 0.301,544 0.277,545 26090,546 73784,547 2.084,548 44.9,549 2,550 15,551 1,552 4,553 2,554 2,555 5,558 1.786,559 2,560 4.02,561 0.175,567 113.693,568 1.648,569 3.84,570 5.101,571 5.623,572 5.721,573 5.75,574 3.55,575 4.86,576 5.211,577 4.232,578 2975.03,579 9.175,580 53947.5,585 421.488,586 1.156,587 5.202,588 0.134,589 0.005,590 0.067,591 0.033,592 0.027,593 0.016,594 0.012,595 0.01,596 0.007,597 0.006,598 0.318,599 0.33,600 0.63,601 1.67,602 216.973,603 0.034,604 -0.077,605 0.064,606 -0.002,607 0.007,608 0.008,609 0.035,610 -0.14,611 -0.069,612 -0.099,613 0.043,614 -0.082,615 -0.094,616 -0.031,617 -0.014,618 0.023,619 -0.07,620 0.01,621 -0.145,622 0.04,623 -0.001,624 0.004,625 -0.127,626 0.023,627 -0.202,628 -0.043,629 -0.121,630 -0.006,631 -0.169,632 -0.049,633 0.026,634 -0.006,635 -0.069,636 -0.015,637 -0.02,638 -0.069,639 0.143,640 0.009,641 0.003,642 -0.034,643 0.085,644 -0.042,645 0.064,646 -0.005,647 0.078,648 0.018,649 0.072,650 0.068,651 1.866,652 5.855,653 0.605,654 58.499,655 1.006,656 1.125,657 2.449,658 5.996,659 0.672,660 3.738,661 3.989,662 4.22,663 4.431,664 4.595,665 4.625,666 4.745,667 4.844,668 4.905,669 4.97,670 9.812,671 0.638,672 533.71,673 3.738,674 5.242,675 6.061,676 6.903,677 7.741,678 8.591,679 9.439,680 10.295,681 11.149,682 12.008,683 7.2,685 1,690 1,692 1,693 2,699 12,700 2,704 4,706 18,709 1,724 69,726 21,727 1,728 41,730 72,731 28,733 16,734 2,735 4,736 1,739 4,740 4,745 1,748 1,751 4,753 19,754 9,756 3,761 2,764 1,765 3,772 31,773 9,774 2,775 10,776 1,779 5,784 1,785 4,795 2,801 1,802 3,816 1,819 1,826 1,832 4,833 1,834 1,836 1,840 38,846 6,847 2,848 2,849 1,850 2,862 5.8,865 2,867 2,869 19,870 12.35,871 8.694,872 4.239,874 2.914,875 1.368,876 0.949,877 10.693,878 10.827,879 3.989,880 4.472,881 4.954,882 5.436,883 5.911,884 5.996,885 6.374,886 6.664,887 6.871,888 7.094,889 0.917,890 53,891 14.062,893 5.84,894 7.768,895 26.806,897 21.419,899 2.268,900 86.167,904 341.362,905 197.699,906 88.992,908 72.509,910 32.22,911 165.479,912 413.87,913 88.992,914 8.825,915 35.699,916 93.821,917 145.598,918 90.122,919 11.771,920 314.726,922 341.362,923 254.472,924 72.509,925 32.22,927 282.506,928 131.364,931 118.124,932 102.776,933 33.571,934 32.22,935 341.362,936 161.501,937 197.699,940 341.362,941 76.874,942 120.825,943 36.022,944 125.479,945 341.362,946 161.501,947 197.699,949 0.557,950 0.319,951 0.172,952 0.089,953 21,954 9,955 0.181,956 13,958 1,959 5.044,960 340.345,962 23,963 195.421,964 1,968 27.779,969 14.628,970 8.381,972 161.501,973 22.099,974 8.359,978 3.388,980 36.022,981 700.562,982 53,987 24.32,990 4.363,991 0.355,994 69.381,995 77.647,996 0.27,997 0.629,998 0.835,999 0.92,1000 0.937,1001 0.941,1002 5.19,1003 1.766,1004 5.994,1005 4.641,1006 4.673,1007 5.159,1008 3.98,1009 6.727,1010 4.59,1011 6.336,1012 1.522,1013 7.498,1014 3.901,1015 4.007,1016 4.635,1017 2.899,1018 7.486,1019 3.936,1020 7.595,1021 1.331,1022 9.108,1023 3.354,1024 6.18,1025 7.182,1026 6.033,1027 10.583,1028 6.033,1029 8.889,1030 1.266,1031 10.784,1032 3.125,1033 6.415,1034 7.502,1035 5.257,1036 12.243,1037 6.267,1038 10.217,1039 1.018,1040 12.505,1041 2.689,1042 7.971,1043 9.487,1044 8.322,1045 14.814,1046 7.767,1047 11.569,1048 1,1049 14.257,1050 2.297,1051 8.636,1052 10.217,1053 7.708,1054 16.832,1055 8.418,1056 12.939,1057 1,1058 16.03,1059 2.275,1060 9.926,1061 11.937,1062 10.716,1063 19.224,1064 9.665,1065 3.022,1066 1,1067 17.82,1068 2.136,1069 10.805,1070 12.902,1071 10.273,1072 21.395,1073 10.521,1074 2.978,1075 10.18,1076 19.622,1077 2.136,1078 11.977,1079 14.475,1080 13.16,1081 23.723,1082 11.657,1083 2.672,1084 9.443,1085 21.433,1086 3.97,1087 12.962,1088 15.585,1089 12.886,1090 25.962,1091 12.616,1092 2.417,1093 8.331,1094 23.251,1095 3.562,1096 14.083,1097 17.071,1098 15.63,1099 28.268,1100 13.706,1101 2.373,1102 7.005,1103 25.076,1104 3.493,1105 15.122,1106 18.274,1107 15.508,1108 30.538,1109 14.717,1110 2.11,1111 6.127,1112 26.905,1113 3.117,1114 16.223,1115 19.708,1116 18.112,1117 32.838,1118 15.788,1119 1.843,1120 6.066,1121 28.738,1122 2.847,1123 17.289,1124 20.971,1125 18.124,1126 35.124,1127 16.826,1128 25020,1129 42224,1130 27.909,1131 46.392,1132 59.805,1133 65.047,1134 60.714,1135 59.238,1136 59.344,1137 75.436,1138 22.675,1139 157.923,1140 56.726,1141 5.33,1142 6.548,1143 6.328,1144 5.106,1145 5.022,1146 6.97,1147 6.918,1148 16.927,1149 4.973,1150 15.463,1151 1.459,1152 1.587,1153 1.481,1154 1.445,1155 1.447,1156 1.84,1157 0.553,1158 3.852,1159 1.384,1160 4.006,1161 4.038,1162 4.057,1163 3.923,1164 7.433,1165 3.924,1166 3.91,1167 3.947,1168 3.93,1169 3.834,1170 7.427,1171 3.818,1172 3.811,1173 3.852,1174 3.75,1175 3.709,1176 5.011,1177 3.713,1178 3.746,1179 3.788,1180 3.686,1181 3.579,1182 4.897,1183 3.577,1184 3.674,1185 3.718,1186 3.629,1187 3.559,1188 4.801,1189 3.539,1190 3.525,1191 3.578,1192 3.404,1193 3.293,1194 4.674,1195 3.298,1196 3.342,1197 3.398,1198 3.327,1199 3.141,1200 4.467,1201 3.151,1202 3.243,1203 3.293,1204 3.165,1205 3.053,1206 4.294,1207 3.051,1208 0.107,1209 0.111,1210 0.159,1211 0.098,1212 0.074,1213 4.381,1214 0.097,1215 4.548,1216 0.086,1217 6.5,1218 0.248,1219 4.005,1220 0.073,1221 3.022,1222 3.97,1223 3.528,1224 10.18,1225 2.973,1226 1.947,1227 1.922,1228 2.036,1229 2.046,1230 1.279,1231 2.044,1232 1.845,1233 1.81,1234 1.952,1235 1.969,1236 1.139,1237 1.969,1238 1.787,1239 1.751,1240 1.95,1241 1.92,1242 1.076,1243 1.923,1244 1.711,1245 1.662,1246 1.904,1247 1.905,1248 1.047,1249 1.912,1250 1.553,1251 1.513,1252 1.8,1253 1.756,1254 0.94,1255 1.759,1256 1.483,1257 1.42,1258 1.712,1259 1.737,1260 0.931,1261 1.745,1262 1.27,1263 1.216,1264 1.54,1265 1.539,1266 0.77,1267 1.536,1268 1.223,1269 1.184,1270 1.348,1271 1.378,1272 0.61,1273 1.415,1274 4.419,1276 5.687,1277 2.398,1278 7.143,1279 4.595,1280 8.683,1281 6.605,1282 10.27,1284 1.793,1290 3.162,1291 6.366,1292 10.519,1293 1.692,1294 -0.25,1300 44.002,1301 113.693,1302 264.982,1303 351.978,1304 387.978,1305 394.733,1306 396.733,1307 83.12,1308 7.913,1309 114.8,1310 140.1,1311 23,1312 12.561,1313 4.459,1314 3.7,1315 67.801,1316 219,1317 258,1318 0.143,1319 275.741,1320 487.81,1321 664.568,1322 34016,1324 26.581,1325 0.699,1326 0.58,1327 26.934,1328 22.025,1329 18.635,1330 0.455,1331 0.333,1332 12.501,1333 17.419,1334 12.16,1335 10.07,1336 19.089,1337 13.635,1338 15.672,1339 0.296,1340 0.183,1341 16.223,1342 9.701,1343 12.858,1344 0.192,1345 0.105,1346 13.562,1347 7.042,1348 10.456,1349 0.126,1350 0.061,1351 11.273,1352 5.066,1353 7.96,1354 0.081,1355 0.032,1356 8.557,1357 3.149,1358 0.235,1359 121.687,1360 0.189,1361 35.509,1362 0.369,1363 188,1364 595.404,1365 230.403,1366 585.207,1367 785.87,1368 550,1369 214,1370 548.815,1371 253.198,1372 558.661,1373 808.45,1374 526,1375 7.678} {0 CHEMBL116704,1 1.583,2 12.581,3 4.246,4 18.028,5 121.01,6 7.695,7 0.545,8 4.115,9 4.214,10 3.835,11 3.726,12 5.209,13 3.669,14 4.642,15 4.794,16 4.094,17 4.1,18 5.955,19 4.017,20 4.902,21 5.085,22 4.091,23 4.245,24 5.99,25 4.12,26 5.011,27 5.24,28 3.997,29 4.2,30 6.07,31 4.065,32 4.898,33 5.11,34 4.006,35 4.156,36 5.967,37 4.034,38 4.92,39 5.141,40 4.027,41 4.17,42 5.967,43 4.042,44 4.969,45 5.199,46 4.021,47 4.144,48 6.049,49 4.028,50 4.91,51 5.129,52 3.961,53 4.095,54 6.004,55 3.974,56 0.098,57 0.789,58 14.243,59 5.867,60 21.305,61 6.99,62 0.401,63 1.26,64 22.873,65 9.709,66 77.963,67 12.163,68 0.265,69 1.577,70 33.433,71 13.237,72 64.171,73 16.089,74 0.458,75 1.669,76 39.622,77 14.064,78 95.544,79 17.601,80 0.31,81 1.514,82 31.264,83 12.256,84 69.102,85 15.679,86 0.269,87 1.566,88 36.332,89 13.466,90 61.491,91 16.859,92 0.424,93 1.594,94 35.031,95 12.604,96 88.068,97 16.163,98 0.419,99 1.524,100 36.889,101 12.589,102 87.429,103 15.306,104 29,105 45,106 0.257,107 0.563,108 0.748,109 0.851,110 0.872,111 0.878,112 3.471,113 1.053,114 -3.9,115 -3.86,116 -3.66,118 42.1,119 1,120 4,124 1,140 9,141 5,142 1,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 19,195 1,198 8,203 5,206 13,207 2,210 8,215 5,218 12,219 2,222 10,227 6,229 10,230 3,234 10,239 5,242 11,243 1,247 8,252 2,253 1,255 11,256 1,259 5,260 1,262 2,263 1,264 2,267 13,268 1,270 1873,271 20.402,272 20.402,273 20.402,274 20.402,275 20.402,276 17.709,277 21.177,278 12.26,279 20.643,280 16.328,281 16.328,282 16.328,283 16.328,284 16.328,285 12.219,286 22.128,287 5.909,288 16.721,289 4.25,290 2.369,291 1.233,292 0.601,293 0.469,294 0.434,295 4.152,299 1,300 1,301 817,302 4.243,306 351.291,313 1.788,314 38.706,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 67,326 390,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 2.341,334 12.404,335 3.066,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.507,349 2.515,350 3.435,352 7.187,353 2.496,354 3.835,355 2.75,356 5.15,357 3.4,358 2.401,359 3.393,361 6.323,362 2.398,363 3.568,364 2.563,365 5.037,366 3.264,367 2.262,368 2.757,370 6.105,371 2.251,372 3.351,373 2.401,374 4.86,375 3.03,376 2.033,377 2.601,379 5.594,380 2.02,381 3.297,382 2.154,383 4.727,384 2.921,385 1.925,386 2.535,388 4.973,389 1.911,390 3.08,391 1.835,392 4.586,393 2.627,394 1.64,395 2.289,397 4.754,398 1.614,399 2.849,400 1.485,401 3.589,402 2.368,403 1.401,404 2,406 3.025,407 1.353,408 2.5,409 1.266,410 3.516,411 2.053,412 1.087,413 1.5,415 2.44,416 1.047,417 2.5,418 1.053,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.254,427 1,428 3.247,429 1.956,430 1,431 1.215,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.471,446 2.979,447 0.991,453 1.138,454 0.414,455 2.865,456 0.911,457 -0.062,458 -0.07,460 -0.157,461 -0.06,462 14.967,463 0.483,464 0.857,465 0.028,466 40.75,467 1.315,468 22.5,469 0.726,470 18.25,471 0.589,472 25.936,473 0.837,474 33.633,475 0.59,476 32.354,477 1.044,478 7.96,479 0.257,480 6.855,481 0.221,482 0.122,483 0.056,484 0.234,487 0.586,488 1.191,489 0.851,490 1.168,491 0.688,492 0.961,493 0.464,494 1.03,495 0.882,496 1,497 0.449,498 1.002,499 0.907,500 1.19,501 1.217,502 1.234,503 0.895,504 1.186,505 1.075,506 0.98,507 1.102,508 1.007,509 1.069,510 0.997,511 0.949,512 1.049,513 0.902,514 0.967,515 0.952,516 1.051,517 0.783,518 1.111,519 1.075,520 1.142,521 0.709,522 1.017,523 1.123,524 0.94,525 0.878,526 0.857,527 1.123,528 0.937,529 1.204,530 1.035,531 1.218,532 1.088,533 1.129,534 1.006,535 8,536 0.256,537 2.889,538 2,539 1.267,540 0.965,541 0.69,542 0.462,543 0.353,544 0.314,545 13115,546 38781,547 2.004,548 45.6,549 7,550 11,552 2,553 2,554 2,555 2,558 1.739,559 1.869,560 3.599,561 0.193,563 1,567 90.224,568 1.583,569 3.464,570 4.599,571 5.232,572 5.364,573 5.399,574 3.011,575 4.503,576 4.924,577 3.783,578 1759.18,579 8.618,580 26370.6,582 1,585 332.475,586 1.525,587 4.873,588 0.242,589 0.008,590 0.064,591 0.047,592 0.032,593 0.025,594 0.017,595 0.012,596 0.01,597 0.009,598 0.466,599 0.33,600 1,601 1.064,602 163.201,603 0.051,604 -0.035,605 0.179,606 -0.014,607 -0.115,608 0.045,609 0.296,610 0.055,611 0.034,612 0.018,613 0.275,614 -0.021,615 -0.099,616 -0.16,617 -0.182,618 -0.163,619 -0.08,620 -0.182,621 -0.118,622 -0.006,623 -0.077,624 -0.006,625 -0.088,626 -0.005,627 -0.083,628 -0.069,629 -0.02,630 -0.026,631 -0.064,632 -0.068,633 -0.003,634 -0.118,635 -0.01,636 -0.084,637 0.05,638 0.001,639 -0.111,640 0.032,641 0.033,642 0.058,643 -0.106,644 0.028,645 -0.14,646 -0.028,647 -0.111,648 -0.051,649 -0.111,650 -0.025,651 4.49,652 5.503,653 0.581,654 34.341,655 1.003,656 1.118,657 2.674,658 7.149,659 0.677,660 3.526,661 3.829,662 3.97,663 4.159,664 4.357,665 4.394,666 4.419,667 4.489,668 4.564,669 4.635,670 7.547,671 0.639,672 438.59,673 3.526,674 5.056,675 5.861,676 6.718,677 7.542,678 8.403,679 9.235,680 10.1,681 10.936,682 11.802,683 3.5,685 1,693 1,699 11,700 1,704 6,706 18,724 57,726 21,727 2,728 33,730 59,731 24,733 17,734 5,735 7,739 3,740 3,745 1,751 4,753 18,754 6,756 3,760 1,761 3,765 1,769 1,772 26,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,836 1,840 31,844 1,845 1,846 5,847 1,862 7,864 1,865 3,869 16.583,870 10.233,871 6.792,872 3.308,874 2.92,875 1.403,876 0.96,877 7.7,878 10.171,879 3.829,880 4.425,881 4.842,882 5.332,883 5.829,884 5.948,885 6.125,886 6.349,887 6.664,888 6.959,889 1,890 43,891 11.708,893 5.137,894 7.97,895 21.786,897 17.817,899 2.47,900 76.583,903 1,904 282.506,905 148.646,906 33.191,908 112.141,910 5.807,911 142.839,912 394.648,913 33.191,914 8.825,915 12.244,916 107.499,917 153.379,918 35.573,920 258.964,922 282.506,923 176.029,924 112.141,925 5.807,927 258.964,928 135.683,931 55.569,932 103.675,933 22.593,935 282.506,936 145.332,937 148.646,939 5.807,940 282.506,941 30.632,942 112.206,943 16.405,944 128.927,945 282.506,946 145.332,947 148.646,949 0.579,950 0.306,951 0.152,952 0.088,953 19,954 9,955 0.169,956 10,958 1,959 4.255,960 260.118,962 18,963 147.58,967 1,968 22.832,969 10.454,970 7.112,972 145.332,973 20.125,974 4.142,978 5.244,980 59.088,981 576.484,982 45,986 -3.573,987 35.992,991 -0.843,994 57.192,995 63.737,996 0.271,997 0.594,998 0.789,999 0.897,1000 0.92,1001 0.926,1002 5.047,1003 1.64,1004 5.861,1005 4.973,1006 4.511,1007 5.112,1008 2.35,1009 6.637,1010 4.463,1011 6.272,1012 1.401,1013 7.405,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 4.087,1020 7.601,1021 1.087,1022 9.064,1023 3.025,1024 6.12,1025 7.365,1026 3.64,1027 10.719,1028 5.993,1029 8.97,1030 1,1031 10.798,1032 2.44,1033 6.608,1034 8.166,1035 4.112,1036 12.731,1037 6.368,1038 10.375,1039 1,1040 12.588,1041 2.275,1042 8.054,1043 9.967,1044 5.203,1045 15.346,1046 7.796,1047 11.807,1048 0.555,1049 14.42,1050 2.136,1051 8.918,1052 11.144,1053 5.889,1054 17.698,1055 8.525,1056 13.263,1058 16.287,1059 1.251,1060 10.19,1061 12.776,1062 6.849,1063 20.232,1064 9.756,1065 3.374,1066 -0.062,1067 18.181,1069 11.236,1070 14.14,1071 7.625,1072 22.696,1073 10.666,1074 2.856,1075 12.404,1076 20.096,1077 -0.157,1078 12.449,1079 15.708,1080 8.526,1081 25.215,1082 11.812,1083 2.515,1084 8.482,1085 22.029,1086 4.697,1087 13.581,1088 17.162,1089 9.342,1090 27.714,1091 12.815,1092 2.401,1093 7.187,1094 23.974,1095 3.858,1096 14.779,1097 18.707,1098 10.216,1099 30.23,1100 13.928,1101 2.262,1102 6.323,1103 25.93,1104 3.435,1105 15.95,1106 20.206,1107 11.051,1108 32.742,1109 14.978,1110 2.033,1111 6.105,1112 27.893,1113 3.393,1114 17.149,1115 21.746,1116 11.912,1117 35.258,1118 16.079,1119 1.925,1120 5.594,1121 29.862,1122 2.757,1123 18.339,1124 23.267,1125 12.755,1126 37.774,1127 17.155,1128 12858,1129 22263,1130 21.553,1131 38.614,1132 48.484,1133 49.798,1134 49.19,1135 48.16,1136 48.099,1137 64.833,1138 6.042,1139 133.898,1140 47.031,1141 5.748,1142 6.683,1143 7.095,1144 5.335,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.066,1150 16.834,1151 1.469,1152 1.509,1153 1.491,1154 1.459,1155 1.458,1156 1.965,1157 0.183,1158 4.058,1159 1.425,1160 4.09,1161 4.085,1162 4.735,1163 4.072,1164 7.717,1165 3.997,1166 3.992,1167 4.006,1168 3.945,1169 3.946,1170 7.474,1171 3.928,1172 3.828,1173 3.868,1174 3.761,1175 3.735,1176 6.999,1177 3.736,1178 3.697,1179 3.715,1180 3.726,1181 3.611,1182 6.351,1183 3.548,1184 3.581,1185 3.601,1186 3.496,1187 3.414,1188 4.905,1189 3.414,1190 3.356,1191 3.4,1192 3.24,1193 3.227,1194 4.71,1195 3.207,1196 3.156,1197 3.202,1198 3.039,1199 2.991,1200 4.678,1201 2.994,1202 3.045,1203 3.119,1204 2.856,1205 2.863,1206 4.084,1207 2.837,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.292,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.066,1226 1.999,1227 1.986,1228 2.106,1229 2.077,1230 1.341,1231 2.1,1232 1.965,1233 1.957,1234 2.025,1235 2.031,1236 1.208,1237 2.062,1238 1.814,1239 1.777,1240 1.944,1241 1.935,1242 1.095,1243 1.941,1244 1.606,1245 1.586,1246 1.799,1247 1.793,1248 1.083,1249 1.815,1250 1.507,1251 1.487,1252 1.656,1253 1.697,1254 0.833,1255 1.708,1256 1.332,1257 1.291,1258 1.525,1259 1.494,1260 0.72,1261 1.539,1262 1.129,1263 1.078,1264 1.384,1265 1.339,1266 0.54,1267 1.359,1268 1.02,1269 0.962,1270 1.181,1271 1.274,1272 0.37,1273 1.302,1274 4.205,1276 5.509,1278 6.991,1280 8.553,1282 10.158,1284 1.907,1289 9.02,1290 1.919,1291 2.65,1300 36.411,1301 90.224,1302 197.421,1303 262.171,1304 298.21,1305 305.72,1306 307.72,1307 80.606,1308 7.251,1309 96.36,1310 104.74,1311 18,1312 12.355,1313 4.459,1314 3.7,1315 58.064,1316 137,1317 147,1318 0.197,1319 230.237,1320 403.25,1321 553.538,1322 13874,1324 22.269,1325 0.718,1326 0.588,1327 22.519,1328 18.23,1329 14.815,1330 0.449,1331 0.351,1332 10.142,1333 13.626,1334 9.722,1335 8.098,1336 15.636,1337 11.588,1338 13.854,1339 0.308,1340 0.207,1341 15.177,1342 9.317,1343 10.098,1344 0.194,1345 0.123,1346 11.206,1347 6.385,1348 7.922,1349 0.126,1350 0.07,1351 8.777,1352 4.382,1353 6.286,1354 0.082,1355 0.041,1356 7.001,1357 3.153,1358 0.314,1359 100.18,1360 0.215,1361 29.499,1362 0.529,1363 156,1364 474.195,1365 204.391,1366 482.656,1367 636.24,1368 442,1369 175,1370 419.319,1371 228.215,1372 465.788,1373 663.02,1374 434,1375 7.432} {0 CHEMBL116794,1 1.399,2 6.333,3 1.8,4 3.24,5 59.609,6 7.587,7 0.882,8 3.389,9 3.517,10 3.001,11 2.966,12 4.486,13 2.952,14 3.871,15 4.041,16 3.307,17 3.356,18 4.889,19 3.316,20 4.007,21 4.216,22 3.125,23 3.375,24 4.886,25 3.263,26 4.026,27 4.284,28 2.982,29 3.254,30 4.864,31 3.128,32 3.826,33 4.084,34 2.831,35 3.058,36 4.684,37 2.94,38 3.679,39 3.945,40 2.692,41 2.874,42 4.598,43 2.767,44 3.374,45 3.651,46 2.173,47 2.548,48 4.251,49 2.394,50 2.901,51 3.212,52 1.406,53 1.948,54 3.664,55 1.737,56 0.019,57 0.41,58 5.045,59 2.061,60 5.495,61 2.772,62 0.102,63 0.654,64 9.013,65 3.314,66 9.063,67 4.504,68 0.055,69 0.685,70 11.036,71 4.585,72 9.641,73 6.397,74 0.13,75 0.683,76 12.417,77 4.465,78 13.213,79 6.401,80 0.068,81 0.551,82 10.14,83 3.752,84 10.703,85 5.418,86 0.104,87 0.486,88 8.874,89 2.988,90 11.556,91 4.334,92 0.06,93 0.336,94 6.627,95 2.344,96 9.405,97 3.404,98 0.037,99 0.193,100 4.331,101 1.517,102 6.373,103 2.25,105 23,106 0.272,107 0.644,108 0.808,109 0.883,110 0.898,111 0.898,112 2.796,113 0.872,114 -2.79,115 -2.8,116 -2.72,118 46.2,124 1,140 4,141 2,143 1,149 2,150 1,156 1,168 5,171 1,172 1,177 3,180 5,186 1,191 2,194 4,198 2,201 1,203 1,206 1,210 3,222 2,225 1,234 2,247 1,270 207,271 10.569,272 10.569,273 10.569,274 10.569,275 10.569,276 8.79,277 8.381,278 6.425,279 10.799,280 8.432,281 8.432,282 8.432,283 8.432,284 8.432,285 5.867,286 13.558,287 3.073,288 8.797,289 3.301,290 1.385,291 0.538,292 0.154,293 0.077,294 0.077,295 3.474,299 1,300 1,301 211,302 1.732,305 61.099,306 33.033,309 50.298,313 1.022,314 4.519,317 1,318 0.83,319 0.83,320 0.6,322 1,323 1,324 0.75,325 31.5,326 95,327 4.53,328 3.177,329 6.535,330 4.058,331 3.075,332 4.476,333 0.522,334 10.309,335 3.024,336 3.921,337 2.637,338 5.451,339 3.447,340 2.525,341 3.485,343 7.234,344 2.328,345 3.362,346 2.041,347 4.987,348 2.91,349 1.93,350 2.726,352 5.624,353 1.887,354 3.046,355 1.546,356 4.168,357 2.518,358 1.546,359 2.318,361 3.741,362 1.501,363 2.692,364 1.318,365 3.594,366 2.219,367 1.254,368 1.773,370 2.839,371 1.209,372 2.539,373 1.107,374 3.416,375 2.022,376 1.074,377 1.556,379 2.464,380 1.014,381 2.118,382 0.666,383 3.09,384 1.563,385 0.618,386 0.927,388 1.403,389 0.579,390 2.068,391 0.618,392 3,393 1.552,394 0.606,395 0.875,397 1.372,398 0.575,399 1.041,400 -0.101,401 2.569,402 0.681,403 -0.272,404 -0.349,406 -0.727,407 -0.258,408 0.662,409 -0.819,410 2,411 0.158,412 -0.833,413 -1.232,415 -2.024,416 -0.821,417 0.478,418 -0.882,419 2,420 0.007,421 -0.956,422 -1.328,424 -2.333,425 -0.921,426 0.021,427 -1.253,428 1.523,429 -0.439,430 -1.398,431 -1.864,433 -3.383,434 -1.34,435 -0.118,436 -1.618,437 1.221,438 -0.698,439 -1.618,440 -2.427,442 -4.372,443 -1.475,444 -0.197,445 -1.658,446 1,447 -0.724,448 -1.675,449 -2.481,451 -4.502,452 -1.588,453 -0.379,454 -1.813,455 0.742,456 -0.915,457 -1.875,458 -2.632,460 -5.351,461 -1.818,462 7.2,463 0.48,464 0.239,465 0.016,466 22.25,467 1.483,468 12,469 0.8,470 10.25,471 0.683,472 7.547,473 0.503,474 15,475 0.577,476 11.905,477 0.794,478 4.564,479 0.304,480 2.868,481 0.191,484 0.264,487 1.029,488 1.334,489 0.753,490 0.982,491 0.781,492 0.863,493 1.292,494 0.948,495 0.984,496 0.86,497 1.037,498 0.881,499 0.793,500 1.172,501 1.1,502 1.245,503 0.915,504 1.215,505 1.014,506 0.892,507 1.065,508 0.987,509 1.027,510 1.023,511 0.867,512 1.062,513 0.922,514 1.018,515 0.777,516 0.984,517 1.099,518 0.908,519 0.981,520 0.9,521 0.998,522 0.922,523 1.076,524 0.893,525 1.103,526 0.996,527 1.301,528 1.042,529 0.908,530 0.893,531 1.09,532 1.042,533 1.443,534 1.079,535 2,537 1.333,538 0.889,539 0.252,540 0.25,541 0.056,542 0.043,543 0.01,545 1793,546 4370,547 2.228,548 42.3,550 6,551 2,552 2,553 1,558 1.529,559 2.195,560 2.729,561 -0.265,565 1,567 36.383,568 1.399,569 3.316,570 4.162,571 4.547,572 4.624,573 4.624,574 2.206,575 3.323,576 3.883,577 2.801,578 294.136,579 6.496,580 2377.72,582 1,585 122.211,586 0.837,587 3.881,588 0.118,590 0.058,591 0.049,592 0.017,593 0.019,594 0.005,595 0.007,596 0.005,598 0.278,599 1,600 1,602 58.063,603 -0.035,604 -0.233,605 0.068,606 -0.064,607 0.051,608 -0.001,609 -0.141,610 0.154,611 -0.111,612 0.046,613 -0.17,614 -0.015,615 -0.063,616 -0.232,617 -0.198,618 -0.262,619 -0.146,620 -0.249,621 -0.025,622 0.05,623 -0.077,624 -0.024,625 -0.093,626 -0.051,627 0.021,628 -0.153,629 0.07,630 -0.037,631 0.127,632 0.011,633 0.051,634 0.055,635 0.034,636 0.04,637 0.132,638 0.036,639 -0.137,640 0.007,641 -0.086,642 -0.017,643 -0.099,644 -0.04,645 -0.033,646 -0.066,647 -0.017,648 -0.039,649 -0.144,650 -0.028,651 0.635,652 1.036,653 0.933,654 7.787,655 0.994,656 1.121,657 1.562,658 2.441,659 0.695,660 2.89,661 3.178,662 3.466,663 3.738,664 3.784,665 3.807,666 3.912,667 3.932,668 3.714,669 3.584,670 3.969,671 0.66,672 197.26,673 2.89,674 4.394,675 5.242,676 6.107,677 6.971,678 7.843,679 8.713,680 9.589,681 10.462,682 11.339,683 11.5,691 2,693 1,698 2,699 8,700 1,701 1,704 1,705 1,706 15,724 26,726 15,727 1,728 17,730 28,731 12,733 11,734 2,735 4,739 3,740 4,753 11,754 1,769 1,772 11,773 1,774 1,775 3,778 1,779 3,784 0.667,797 1,801 2,802 1,805 1,832 2,840 15,846 1,869 6.833,870 4.567,871 3.306,872 1.457,874 2.845,875 1.465,876 1.063,877 1.983,878 8.965,879 3.239,880 3.882,881 4.527,882 5.154,883 5.49,884 5.795,885 6.238,886 6.612,887 6.565,888 6.8,889 1,890 18,891 5.497,892 -0.001,893 2.302,894 7.5,895 10.714,897 8.807,899 2,900 30,901 0.006,904 117.711,905 83.674,906 35.47,911 83.674,912 117.711,913 35.47,915 2.106,916 56,917 48.946,918 33.491,919 25.686,920 70.627,922 117.711,923 119.144,927 117.711,931 38.456,932 63.903,933 16.786,935 117.711,936 35.47,937 83.674,940 117.711,941 10.008,942 75.565,943 16.786,944 16.786,945 117.711,946 35.47,947 83.674,949 0.569,950 0.336,951 0.192,952 0.087,953 13,954 4,955 0.071,956 2,957 1,958 1.143,959 2.895,960 101.035,961 0.143,962 14,963 58.603,968 8.594,969 3.461,970 1.52,971 2.471,972 16.786,973 16.001,974 4.036,975 3.267,978 1.295,979 2.065,980 16.786,981 236.855,982 24.5,994 25.84,995 29.156,996 0.298,997 0.705,998 0.885,999 0.967,1000 0.984,1001 0.984,1002 4.416,1003 0.606,1004 5.187,1005 1.403,1006 3.85,1007 4.564,1008 0.434,1009 5.964,1010 3.773,1011 5.619,1012 -0.272,1013 6.711,1014 1.372,1015 3.219,1016 4.227,1018 6.783,1019 3.126,1020 6.915,1021 -0.833,1022 8.34,1023 -0.727,1024 5.389,1025 6.839,1026 0.138,1027 9.91,1028 5.25,1029 8.258,1030 -0.956,1031 10.037,1032 -2.024,1033 5.707,1034 7.496,1036 11.655,1037 5.556,1038 9.639,1039 -1.398,1040 11.779,1041 -2.333,1042 7.242,1043 9.434,1044 0.039,1045 14.249,1046 7.061,1047 11.047,1048 -1.618,1049 13.553,1050 -3.383,1051 7.996,1052 10.549,1054 16.35,1055 7.809,1056 12.477,1057 -1.675,1058 15.351,1059 -4.372,1060 9.276,1061 12.219,1062 0.011,1063 18.773,1064 9.068,1065 3.075,1066 -1.875,1067 17.165,1068 -4.502,1069 10.229,1070 13.546,1072 21.013,1073 10.015,1074 2.525,1075 10.309,1076 18.991,1077 -5.351,1078 11.406,1079 15.109,1080 0.003,1081 23.378,1082 11.178,1083 1.93,1084 7.234,1085 20.828,1086 4.476,1087 12.449,1088 16.53,1090 25.673,1091 12.214,1092 1.546,1093 5.624,1094 22.673,1095 3.485,1096 13.588,1097 18.051,1098 0.001,1099 28.018,1100 13.339,1101 1.254,1102 3.741,1103 24.523,1104 2.726,1105 14.671,1106 19.514,1108 30.335,1109 14.414,1110 1.074,1111 2.839,1112 26.379,1113 2.318,1114 15.796,1115 21.02,1117 32.672,1118 15.526,1119 0.618,1120 2.464,1121 28.238,1122 1.773,1123 16.898,1124 22.502,1126 34.998,1127 16.617,1128 1716,1129 2742,1130 12.019,1131 18.063,1132 25.495,1133 25.202,1134 25.186,1135 25.236,1136 25.256,1137 36.273,1138 1.043,1139 69.972,1140 24.236,1141 5.314,1142 5.177,1143 6.217,1144 5.117,1145 5.075,1146 7.476,1147 1.043,1148 17.044,1149 5.024,1151 1.5,1152 1.482,1153 1.482,1154 1.484,1155 1.486,1156 2.134,1157 0.061,1158 4.116,1159 1.426,1160 4.136,1161 4.174,1162 4.091,1163 4.046,1164 5.006,1165 4.052,1166 3.872,1167 3.938,1168 3.816,1169 3.669,1170 4.909,1171 3.698,1172 3.41,1173 3.467,1174 3.305,1175 3.293,1176 4.304,1177 3.29,1178 3.041,1179 3.123,1180 2.91,1181 2.866,1182 3.832,1183 2.867,1184 2.779,1185 2.862,1186 2.605,1187 2.606,1188 3.568,1189 2.593,1190 2.471,1191 2.571,1192 2.262,1193 2.288,1194 3.33,1195 2.271,1196 2.406,1197 2.485,1198 2.24,1199 2.252,1200 3.134,1201 2.239,1202 2.136,1203 2.264,1204 1.953,1205 1.806,1206 2.965,1207 1.826,1208 0.266,1209 0.187,1210 0.384,1211 0.239,1212 0.181,1213 4.53,1214 0.263,1215 3.177,1216 0.031,1217 6.535,1218 0.606,1219 4.058,1220 0.178,1221 3.075,1222 4.476,1223 0.522,1224 10.309,1225 3.024,1226 1.939,1227 1.915,1228 2.035,1229 2.02,1230 1.196,1231 2.027,1232 1.658,1233 1.599,1234 1.811,1235 1.871,1236 0.964,1237 1.857,1238 1.364,1239 1.302,1240 1.538,1241 1.586,1242 0.565,1243 1.576,1244 1.27,1245 1.193,1246 1.443,1247 1.523,1248 0.399,1249 1.507,1250 1.015,1251 0.959,1252 1.213,1253 1.188,1254 0.273,1255 1.205,1256 0.767,1257 0.696,1258 1.079,1259 0.959,1260 0.135,1261 1.005,1262 0.518,1263 0.41,1264 0.926,1265 0.781,1266 0.05,1267 0.838,1270 0.445,1271 0.251,1273 0.33,1274 3.555,1276 4.844,1277 3.045,1278 6.323,1279 5.283,1280 7.89,1281 7.273,1282 9.508,1290 0.865,1300 17.171,1301 36.383,1302 86.211,1303 108.211,1304 118.211,1305 120.211,1306 120.211,1307 11.577,1308 6.12,1309 33.61,1310 33.61,1311 16,1312 11.878,1313 4,1314 3.087,1315 19.973,1316 35,1317 28,1318 0.289,1319 106.517,1320 163.54,1321 251.661,1322 3040,1324 10.088,1325 0.673,1326 0.548,1327 10.088,1328 8.22,1329 7.433,1330 0.437,1331 0.291,1332 4.877,1333 7.193,1334 4.777,1335 3.976,1336 7.433,1337 4.941,1338 6.432,1339 0.28,1340 0.156,1341 6.432,1342 3.595,1343 5.592,1344 0.18,1345 0.083,1346 5.592,1347 2.587,1348 4.824,1349 0.118,1350 0.045,1351 4.824,1352 1.839,1353 3.318,1354 0.077,1355 0.025,1356 3.318,1357 1.095,1358 0.432,1359 46.162,1360 0.288,1361 15.104,1362 0.846,1363 80,1364 199.623,1365 85.245,1366 200.826,1367 284.15,1368 190,1369 94,1370 216.901,1371 100.189,1372 223.684,1373 323.18,1374 210,1375 7.602} {0 CHEMBL116869,1 1.524,2 7.96,3 2.795,4 7.809,5 94.994,6 8.107,7 0.607,8 3.839,9 3.929,10 3.482,11 3.428,12 5.034,13 3.427,14 4.327,15 4.454,16 3.83,17 3.819,18 5.571,19 3.8,20 4.564,21 4.715,22 3.917,23 4.001,24 5.666,25 3.95,26 4.665,27 4.838,28 3.871,29 4.006,30 5.752,31 3.938,32 4.672,33 4.865,34 3.846,35 3.993,36 5.683,37 3.915,38 4.653,39 4.852,40 3.847,41 3.929,42 5.763,43 3.856,44 4.62,45 4.818,46 3.822,47 3.867,48 5.766,49 3.816,50 4.572,51 4.779,52 3.558,53 3.648,54 5.81,55 3.577,56 0.05,57 0.546,58 6.929,59 3.631,60 9.352,61 4.131,62 0.272,63 0.901,64 12.918,65 5.818,66 35.221,67 6.748,68 0.16,69 1.084,70 17.29,71 8.27,72 23.541,73 10.001,74 0.277,75 1.178,76 20.927,77 9.205,78 40.625,79 11.108,80 0.247,81 1.203,82 21.693,83 9.421,84 35.136,85 11.881,86 0.466,87 1.196,88 21.877,89 8.899,90 43.444,91 11.546,92 0.251,93 1.166,94 20.954,95 8.326,96 37.004,97 10.415,98 0.55,99 1.068,100 21.919,101 7.625,102 67.224,103 9.085,104 6,105 39,106 0.264,107 0.631,108 0.812,109 0.895,110 0.912,111 0.912,112 3.269,113 0.854,114 -4.22,115 -4.16,116 -3.93,118 48.8,124 2,133 1,134 1,140 7,141 4,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 13,169 1,171 1,172 5,175 1,177 1,180 16,181 2,186 8,191 2,194 15,195 2,198 9,203 2,206 13,207 1,210 6,211 1,215 1,218 11,219 2,221 2,222 8,225 1,227 2,229 7,230 2,234 7,235 1,239 2,242 3,243 2,246 2,247 6,250 1,252 2,256 1,259 3,260 1,264 1,270 950,271 17.206,272 17.206,273 17.206,274 17.206,275 17.206,276 14.807,277 16.991,278 10.213,279 17.509,280 13.837,281 13.837,282 13.837,283 13.837,284 13.837,285 10.238,286 21.133,287 4.842,288 14.311,289 3.834,290 1.719,291 0.674,292 0.195,293 0.098,294 0.098,295 3.969,298 1,299 1,300 1,301 434,302 2.915,305 54.142,306 94.333,307 53.862,311 175.032,313 1.091,314 22.772,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 54,326 199,327 4.557,328 3.585,329 6.809,330 4.198,331 3.209,332 4.206,333 1.437,334 11.266,335 3.175,336 4.17,337 3.32,338 6.137,339 3.78,340 2.782,341 3.787,342 1.151,343 8.959,344 2.77,345 3.927,346 2.789,347 5.823,348 3.476,349 2.542,350 3.484,351 0.522,352 7.816,353 2.44,354 3.833,355 2.721,356 5.374,357 3.436,358 2.465,359 3.228,361 7.025,362 2.318,363 3.478,364 2.451,365 5.24,366 3.076,367 2.125,368 2.739,370 6.297,371 2.012,372 2.932,373 1.947,374 4.264,375 2.49,376 1.501,377 2.101,379 3.648,380 1.482,381 2.776,382 1.635,383 3.937,384 2.296,385 1.345,386 1.841,388 3.304,389 1.285,390 2.736,391 1.502,392 3.76,393 2.287,394 1.295,395 1.793,397 2.922,398 1.275,399 2.719,400 1.318,401 3.61,402 2.254,403 1.258,404 1.773,406 2.913,407 1.231,408 2.466,409 1.034,410 3.427,411 1.892,412 0.92,413 1.379,415 2.25,416 0.892,417 2.118,418 0.996,419 3.2,420 1.6,421 0.675,422 0.927,424 1.583,425 0.617,426 1.941,427 0.618,428 3,429 1.553,430 0.618,431 0.82,433 1.372,434 0.577,435 1.352,436 0.468,437 2.847,438 1.098,439 0.14,440 0.165,442 0.35,443 0.133,444 1.185,445 0.382,446 2.662,447 0.855,448 -0.114,449 -0.139,451 -0.291,452 -0.109,453 0.744,454 0.177,455 2.323,456 0.289,457 -0.683,458 -0.893,460 -1.698,461 -0.653,462 11.8,463 0.472,464 0.538,465 0.022,466 35.75,467 1.43,468 19.5,469 0.78,470 16.25,471 0.65,472 16.917,473 0.677,474 25.4,475 0.62,476 26.483,477 1.059,478 7.386,479 0.295,480 4.834,481 0.193,482 0.056,484 0.331,487 0.811,488 1.156,489 0.706,490 0.96,491 0.718,492 0.841,493 0.835,494 0.855,495 0.881,496 0.851,497 0.476,498 0.857,499 0.799,500 1.004,501 0.926,502 1.086,503 0.618,504 1.041,505 1.009,506 1.005,507 1.054,508 1.073,509 0.905,510 1.079,511 0.813,512 1.048,513 0.965,514 1.068,515 0.704,516 1.056,517 0.606,518 1.048,519 0.896,520 1.009,521 0.527,522 1.01,523 0.986,524 1.133,525 0.949,526 1.072,527 1.018,528 1.011,529 1.462,530 1.015,531 1.266,532 1.006,533 1.775,534 1.087,535 4,536 0.04,537 2.889,538 1.41,539 1.306,540 0.861,541 0.594,542 0.342,543 0.198,544 0.1,545 6559,546 19281,547 2.154,548 39,550 12,551 1,552 2,553 1,558 1.69,559 2.055,560 3,561 -0.356,562 1,563 1,565 1,567 62.466,568 1.524,569 3.639,570 4.683,571 5.162,572 5.26,573 5.26,574 2.419,575 4.324,576 4.614,577 3.166,578 949.897,579 8.032,580 11244.3,581 1,582 1,584 1,585 219.66,586 1.26,587 4.592,588 0.143,589 0.01,590 0.074,591 0.034,592 0.033,593 0.023,594 0.016,595 0.01,596 0.008,597 0.008,598 0.358,599 0.5,600 1,601 0.663,602 117.436,603 -0.064,604 -0.119,605 0.038,606 -0.015,607 -0.088,608 0.02,609 0.037,610 0.207,611 -0.057,612 0.085,613 0.154,614 0.02,615 -0.045,616 -0.046,617 -0.063,618 -0.097,619 0.015,620 -0.083,621 -0.11,622 -0.066,623 -0.123,624 -0.079,625 -0.087,626 -0.1,627 -0.038,628 -0.107,629 -0.018,630 -0.069,631 -0.036,632 -0.048,633 0.239,634 -0.075,635 0.079,636 -0.027,637 0.165,638 -0.011,639 -0.054,640 -0.142,641 0.032,642 -0.107,643 -0.036,644 -0.034,645 -0.092,646 -0.031,647 -0.185,648 -0.052,649 -0.206,650 -0.128,651 2.616,652 4.397,653 0.8,654 19.44,655 1.009,656 1.111,657 2.99,658 8.937,659 0.7,660 3.367,661 3.689,662 3.989,663 4.263,664 4.511,665 4.7,666 4.86,667 4.99,668 5.124,669 5.193,670 5.229,671 0.68,672 332.38,673 3.367,674 4.905,675 5.765,676 6.645,677 7.526,678 8.414,679 9.304,680 10.197,681 11.091,682 11.988,683 4.9,691 1,693 1,699 10,700 1,704 5,705 1,706 17,714 1,722 1,724 41,726 19,727 2,728 28,730 44,731 20,733 15,734 5,735 7,736 3,739 4,740 7,753 18,754 2,756 2,761 1,763 1,765 2,768 1,769 1,772 16,773 4,774 1,775 5,778 1,779 2,784 0.5,785 3,801 1,802 2,803 1,807 2,822 1,823 1,830 1,832 2,840 25,845 1,846 2,848 1,862 7.3,864 1,865 1,867 1,869 12.167,870 7.35,871 5.472,872 2.326,874 3.643,875 1.482,876 0.999,877 4.121,878 11.199,879 3.676,880 4.28,881 4.878,882 5.45,883 5.933,884 6.274,885 6.712,886 7.099,887 7.53,888 7.891,889 1,890 42,891 9.216,893 3.973,894 7.827,895 17.439,897 14.397,899 2.327,900 58.167,903 1,904 176.567,905 131.303,906 18.685,908 78.828,911 131.303,912 255.395,913 18.685,915 6.698,916 84.857,917 117.684,918 43.118,919 11.771,920 141.253,922 176.567,923 149.987,924 78.828,927 176.567,928 78.828,931 26.263,932 97.462,933 26.262,935 176.567,936 97.513,937 131.303,940 176.567,941 28.779,942 104.423,944 95.614,945 176.567,946 97.513,947 131.303,949 0.58,950 0.341,951 0.186,952 0.1,953 20,954 8,955 0.068,956 3,957 2,958 1.2,959 3.644,960 219.173,961 0.2,962 20,963 116.096,968 15.67,969 6.575,970 3.086,972 95.614,973 18.407,974 4.062,978 3.87,979 1.96,980 42.683,981 405.382,982 38.5,987 11.397,989 2.083,991 0.022,994 41.371,995 45.531,996 0.284,997 0.679,998 0.874,999 0.964,1000 0.982,1001 0.982,1002 4.9,1003 1.295,1004 5.74,1005 3.304,1006 4.369,1007 4.966,1008 2.119,1009 6.555,1010 4.311,1011 6.108,1012 1.258,1013 7.298,1014 2.922,1015 3.892,1016 4.663,1018 7.479,1019 3.827,1020 7.413,1021 0.92,1022 8.96,1023 2.913,1024 5.958,1025 7.146,1026 2.578,1027 10.6,1028 5.86,1029 8.756,1030 0.675,1031 10.686,1032 2.25,1033 6.347,1034 7.704,1036 12.388,1037 6.25,1038 10.131,1039 0.618,1040 12.454,1041 1.583,1042 7.84,1043 9.596,1044 3.147,1045 15.02,1046 7.72,1047 11.53,1048 0.14,1049 14.25,1050 1.372,1051 8.623,1052 10.559,1054 17.161,1055 8.507,1056 12.946,1057 -0.114,1058 16.066,1059 0.35,1060 9.891,1061 12.195,1062 3.772,1063 19.641,1064 9.761,1065 3.209,1066 -0.683,1067 17.898,1068 -0.291,1069 10.862,1070 13.366,1072 21.935,1073 10.733,1074 2.782,1075 11.266,1076 19.742,1077 -1.698,1078 12.044,1079 14.884,1080 4.432,1081 24.367,1082 11.905,1083 2.542,1084 8.959,1085 21.595,1086 4.206,1087 13.106,1088 16.166,1090 26.728,1091 12.966,1092 2.465,1093 7.816,1094 23.456,1095 3.787,1096 14.258,1097 17.629,1098 5.115,1099 29.147,1100 14.111,1101 2.125,1102 7.025,1103 25.324,1104 3.484,1105 15.365,1106 18.972,1108 31.539,1109 15.213,1110 1.501,1111 6.297,1112 27.198,1113 3.228,1114 16.511,1115 20.41,1116 5.812,1117 33.955,1118 16.352,1119 1.345,1120 3.648,1121 29.078,1122 2.739,1123 17.641,1124 21.787,1126 36.362,1127 17.475,1128 6229,1129 10787,1130 19.186,1131 28.705,1132 42.305,1133 42.795,1134 42.425,1135 41.709,1136 41.747,1137 56.487,1138 6.218,1139 119.408,1140 40.414,1141 5.391,1142 5.585,1143 6.492,1144 5.263,1145 5.209,1146 7.206,1147 2.873,1148 18.627,1149 5.175,1150 8.963,1151 1.511,1152 1.528,1153 1.515,1154 1.49,1155 1.491,1156 2.017,1157 0.222,1158 4.265,1159 1.443,1160 4.067,1161 4.089,1162 4.024,1163 4.003,1164 7.475,1165 4.005,1166 3.894,1167 3.954,1168 3.837,1169 3.765,1170 6.351,1171 3.762,1172 3.822,1173 3.842,1174 3.767,1175 3.692,1176 4.968,1177 3.72,1178 3.409,1179 3.441,1180 3.345,1181 3.301,1182 4.882,1183 3.301,1184 3.307,1185 3.322,1186 3.221,1187 3.081,1188 4.633,1189 3.109,1190 3.117,1191 3.144,1192 2.996,1193 2.91,1194 4.269,1195 2.928,1196 2.889,1197 2.96,1198 2.738,1199 2.751,1200 4.14,1201 2.737,1202 2.756,1203 2.82,1204 2.607,1205 2.629,1206 3.652,1207 2.615,1208 0.163,1209 0.128,1210 0.243,1211 0.15,1212 0.115,1213 4.557,1214 0.15,1215 3.585,1216 0.051,1217 6.809,1218 0.402,1219 4.198,1220 0.113,1221 3.209,1222 4.206,1223 1.437,1224 11.266,1225 3.175,1226 1.98,1227 1.963,1228 2.064,1229 2.041,1230 1.244,1231 2.049,1232 1.87,1233 1.853,1234 1.969,1235 1.968,1236 1.097,1237 1.968,1238 1.621,1239 1.562,1240 1.788,1241 1.829,1242 0.96,1243 1.819,1244 1.323,1245 1.275,1246 1.5,1247 1.528,1248 0.61,1249 1.52,1250 1.237,1251 1.204,1252 1.453,1253 1.502,1254 0.528,1255 1.461,1256 1.203,1257 1.151,1258 1.367,1259 1.391,1260 0.374,1261 1.398,1262 1.01,1263 0.985,1264 1.177,1265 1.279,1266 0.186,1267 1.255,1268 0.802,1269 0.731,1270 1.107,1271 1.003,1272 0.167,1273 1.045,1274 4.043,1276 5.361,1277 2.398,1278 6.87,1279 4.595,1280 8.469,1281 6.605,1282 10.119,1289 9.346,1290 1.096,1292 5.924,1300 27.875,1301 62.466,1302 149.2,1303 192.008,1304 211.66,1305 215.66,1306 215.66,1307 35.867,1308 7.556,1309 64.35,1310 64.35,1311 24,1312 12.513,1313 4.322,1314 3.524,1315 35.504,1316 74,1317 79,1318 0.227,1319 169.347,1320 294.39,1321 404.967,1322 19471,1324 17.225,1325 0.689,1326 0.537,1327 17.225,1328 13.423,1329 12.22,1330 0.436,1331 0.285,1332 7.861,1333 11.776,1334 7.707,1335 6.366,1336 12.22,1337 7.969,1338 10.919,1339 0.28,1340 0.15,1341 10.919,1342 5.839,1343 9.39,1344 0.177,1345 0.081,1346 9.39,1347 4.273,1348 7.85,1349 0.112,1350 0.043,1351 7.85,1352 3.02,1353 6.303,1354 0.07,1355 0.023,1356 6.303,1357 2.081,1358 0.34,1359 76.497,1360 0.228,1361 23.634,1362 0.677,1363 134,1364 404.911,1365 145.496,1366 390.925,1367 533.86,1368 366,1369 159,1370 390.051,1371 170.333,1372 397.264,1373 580.74,1374 373,1375 6.347} {0 CHEMBL116970,1 1.724,2 12.606,3 3.662,4 13.412,5 126.773,6 8.432,7 0.514,8 4.147,9 4.235,10 3.922,11 3.752,12 5.291,13 3.705,14 4.669,15 4.801,16 4.243,17 4.142,18 6.048,19 4.078,20 4.969,21 5.132,22 4.294,23 4.316,24 6.171,25 4.218,26 5.082,27 5.273,28 4.209,29 4.305,30 6.272,31 4.197,32 5.064,33 5.28,34 4.251,35 4.292,36 6.166,37 4.183,38 5.056,39 5.254,40 4.244,41 4.288,42 6.227,43 4.174,44 5.106,45 5.353,46 4.146,47 4.253,48 6.132,49 4.122,50 5.045,51 5.272,52 4.206,53 4.186,54 6.259,55 4.073,56 0.157,57 0.793,58 12.877,59 5.861,60 30.592,61 6.553,62 0.469,63 1.263,64 21.413,65 9.752,66 84.949,67 11.593,68 0.527,69 1.613,70 36.493,71 13.925,72 89.571,73 15.853,74 0.756,75 1.75,76 42.091,77 14.984,78 126.696,79 17.509,80 0.606,81 1.749,82 39.812,83 14.308,84 102.82,85 17.774,86 0.716,87 1.706,88 38.98,89 14.574,90 116.182,91 17.838,92 0.671,93 1.773,94 42.593,95 15.335,96 115.493,97 19.859,98 0.871,99 1.684,100 44.77,101 14.265,102 149.412,103 17.197,104 53,105 50,106 0.279,107 0.605,108 0.766,109 0.867,110 0.88,111 0.886,112 3.532,113 1.043,114 -3.62,115 -3.59,116 -3.42,118 41.4,119 1,120 3,124 1,129 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 5,180 19,181 1,186 6,191 7,194 19,195 1,198 9,201 1,203 8,206 13,207 2,210 6,215 7,218 14,219 2,222 10,227 6,229 11,230 2,234 9,238 1,239 5,240 1,242 10,243 2,247 7,250 1,251 1,252 3,253 1,255 10,256 1,259 7,260 1,262 4,263 1,264 2,267 9,268 1,270 2127,271 21.297,272 21.297,273 21.297,274 21.297,275 21.297,276 18.68,277 21.067,278 12.494,279 21.712,280 17.26,281 17.26,282 17.26,283 17.26,284 17.26,285 13.228,286 21.543,287 5.945,288 18.01,289 4.134,290 2.127,291 1.13,292 0.509,293 0.427,294 0.392,295 4.206,297 1,300 1,301 867,302 4.796,306 376.836,313 1.702,314 52.493,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 72.333,326 416,327 4.844,328 4.683,329 7.669,330 4.49,331 3.518,332 4.697,333 2.341,334 13.636,335 3.412,336 4.664,337 4.001,338 7.293,339 4.291,340 3.374,341 4.092,342 1.474,343 12.404,344 3.063,345 4.062,346 3.599,347 5.805,348 3.702,349 2.705,350 3.607,352 8.108,353 2.695,354 3.835,355 2.9,356 5.338,357 3.315,358 2.401,359 3.393,361 6.323,362 2.253,363 3.576,364 2.892,365 5.15,366 3.263,367 2.262,368 2.902,370 6.145,371 2.158,372 3.512,373 2.403,374 5.036,375 3.094,376 2.115,377 2.744,379 6.09,380 2.07,381 3.335,382 2.226,383 4.729,384 2.994,385 1.996,386 2.557,388 5.006,389 1.979,390 3.081,391 1.892,392 4.597,393 2.582,394 1.645,395 2.289,397 4.755,398 1.491,399 2.925,400 1.651,401 4.285,402 2.487,403 1.512,404 2.093,406 3.958,407 1.448,408 2.5,409 1.301,410 3.553,411 2.079,412 1.115,413 1.5,415 2.616,416 1.069,417 2.5,418 1.171,419 3.51,420 2,421 1.022,422 1.5,424 2.413,425 1,426 2.441,427 1.039,428 3.414,429 1.989,430 1,431 1.422,433 2.275,434 0.983,435 2.246,436 1,437 3.247,438 1.954,439 1,440 1.203,442 2.136,443 0.951,444 1.778,445 1,446 3,447 1.554,448 0.55,449 0.633,451 1.243,452 0.547,453 1.145,454 0.613,455 2.979,456 0.901,457 -0.061,458 -0.07,460 -0.156,461 -0.055,462 16.014,463 0.485,464 1.097,465 0.033,466 42.25,467 1.28,468 22.5,469 0.682,470 19.75,471 0.598,472 30.524,473 0.925,474 36.186,475 0.624,476 36.359,477 1.102,478 8.145,479 0.247,480 7.43,481 0.225,482 0.18,483 0.083,484 0.219,487 0.663,488 1.176,489 0.734,490 1.087,491 0.763,492 0.902,493 0.536,494 1.056,495 0.751,496 0.958,497 0.504,498 0.949,499 1.023,500 1.134,501 1.121,502 1.153,503 0.966,504 1.104,505 1.106,506 1.085,507 1.06,508 1.078,509 1.125,510 1.096,511 0.841,512 0.999,513 0.648,514 0.86,515 0.86,516 0.97,517 0.777,518 1.132,519 0.853,520 1.096,521 0.773,522 1.139,523 0.727,524 0.953,525 0.674,526 0.841,527 0.745,528 0.912,529 0.91,530 0.945,531 0.937,532 0.963,533 0.873,534 0.907,535 9.5,536 0.322,537 4.667,538 2.75,539 1.782,540 1.437,541 0.812,542 0.587,543 0.477,544 0.394,545 14601,546 51065,547 1.962,548 43.1,549 2,550 11,552 2,553 3,554 2,555 5,558 1.756,559 1.8,560 3.587,561 0.862,563 1,567 100.018,568 1.724,569 3.731,570 4.728,571 5.349,572 5.431,573 5.466,574 2.991,575 4.438,576 5.015,577 3.769,578 1990.24,579 8.806,580 30434.7,585 339.763,586 1.687,587 4.94,588 0.271,589 0.009,590 0.093,591 0.054,592 0.038,593 0.031,594 0.018,595 0.014,596 0.011,597 0.01,598 0.549,599 0.33,600 0.88,601 1.086,602 175.684,603 -0.006,604 -0.009,605 0.111,606 0.011,607 -0.147,608 0.058,609 0.213,610 0.045,611 0.048,612 0.029,613 0.234,614 0.003,615 -0.142,616 -0.103,617 -0.155,618 -0.108,619 -0.088,620 -0.12,621 -0.142,622 -0.092,623 -0.159,624 -0.095,625 -0.13,626 -0.12,627 -0.054,628 -0.008,629 0.093,630 0.04,631 -0.05,632 0.011,633 0.044,634 -0.157,635 -0.016,636 -0.149,637 0.025,638 -0.147,639 0.033,640 -0.013,641 0.138,642 0.072,643 -0.001,644 0.104,645 0.04,646 0.058,647 0.053,648 0.037,649 0.043,650 0.086,651 4.621,652 5.523,653 0.545,654 35.983,655 1.015,656 1.119,657 2.39,658 5.713,659 0.688,660 3.584,661 3.932,662 4.111,663 4.277,664 4.5,665 4.533,666 4.595,667 4.595,668 4.663,669 4.727,670 7.491,671 0.654,672 489.03,673 3.584,674 5.142,675 5.969,676 6.849,677 7.702,678 8.586,679 9.451,680 10.337,681 11.208,682 12.097,683 3.4,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 58,726 21,727 2,728 35,730 60,731 24,733 17,734 5,735 7,739 3,740 3,741 1,745 1,751 3,753 18,754 6,755 1,756 3,760 1,761 3,765 1,772 25,773 7,774 3,775 9,776 2,779 2,784 1,785 5,788 1,795 1,802 3,818 1,830 2,832 3,834 1,836 1,837 1,840 33,844 1,845 2,846 4,847 1,852 1,861 1,862 8.6,863 1,864 1,865 3,869 18.333,870 10.326,871 7.125,872 3.269,874 2.862,875 1.389,876 0.923,877 8.008,878 10.21,879 3.871,880 4.483,881 4.933,882 5.416,883 5.929,884 6.069,885 6.305,886 6.414,887 6.717,888 7.009,889 1,890 51,891 12.516,893 5.655,894 8.12,895 22.766,897 18.77,899 2.62,900 86.444,904 258.964,905 146.427,906 33.191,907 39.149,908 154.825,910 5.807,911 140.619,912 452.937,913 33.191,914 8.825,915 9.709,916 150.182,917 153.379,918 35.888,920 235.422,921 39.149,922 258.964,923 173.81,924 154.825,925 44.956,927 200.109,928 170.997,929 42.683,931 53.034,932 103.99,933 61.742,935 258.964,936 188.015,937 185.575,939 5.807,940 258.964,941 28.413,942 112.206,943 16.405,944 210.759,945 258.964,946 188.015,947 185.575,949 0.592,950 0.323,951 0.155,952 0.09,953 22,954 11,955 0.167,956 10,958 1,959 4.253,960 293.336,962 18,963 160.465,967 1,968 25.034,969 10.556,970 6.7,972 188.015,973 17.963,974 4.069,978 3.247,980 101.772,981 632.555,982 47,986 -3.704,987 36.102,991 -0.92,994 58.843,995 64.89,996 0.294,997 0.637,998 0.807,999 0.913,1000 0.927,1001 0.933,1002 5.121,1003 1.645,1004 6.019,1005 5.006,1006 4.615,1007 5.17,1008 2.551,1009 6.889,1010 4.534,1011 6.373,1012 1.512,1013 7.635,1014 4.755,1015 4.511,1016 5.247,1017 2.469,1018 8.284,1019 4.335,1020 7.728,1021 1.115,1022 9.381,1023 3.958,1024 6.344,1025 7.444,1026 3.761,1027 11.305,1028 6.172,1029 9.126,1030 1.022,1031 11.21,1032 2.616,1033 7.04,1034 8.301,1035 4.213,1036 13.529,1037 6.77,1038 10.561,1039 1,1040 13.095,1041 2.413,1042 8.453,1043 10.07,1044 5.258,1045 16.225,1046 8.173,1047 12.021,1048 1,1049 15.02,1050 2.275,1051 9.478,1052 11.276,1053 5.929,1054 18.701,1055 9.115,1056 13.503,1057 0.55,1058 16.972,1059 2.136,1060 10.762,1061 12.889,1062 6.872,1063 21.317,1064 10.372,1065 3.518,1066 -0.061,1067 18.944,1068 1.243,1069 11.917,1070 14.261,1071 7.641,1072 23.869,1073 11.464,1074 3.374,1075 13.636,1076 20.929,1077 -0.156,1078 13.164,1079 15.816,1080 8.535,1081 26.465,1082 12.675,1083 2.705,1084 12.404,1085 22.924,1086 4.697,1087 14.371,1088 17.269,1089 9.349,1090 29.042,1091 13.831,1092 2.401,1093 8.108,1094 24.927,1095 4.092,1096 15.61,1097 18.804,1098 10.22,1099 31.634,1100 15.032,1101 2.262,1102 6.323,1103 26.934,1104 3.607,1105 16.838,1106 20.298,1107 11.053,1108 34.221,1109 16.217,1110 2.115,1111 6.145,1112 28.946,1113 3.393,1114 18.077,1115 21.829,1116 11.913,1117 36.815,1118 17.419,1119 1.996,1120 6.09,1121 30.961,1122 2.902,1123 19.313,1124 23.343,1125 12.756,1126 39.407,1127 18.618,1128 14418,1129 27147,1130 22.246,1131 39.926,1132 52.998,1133 54.207,1134 53.527,1135 52.707,1136 52.43,1137 69.264,1138 7.629,1139 154.218,1140 50.237,1141 5.749,1142 6.683,1143 7.471,1144 5.538,1145 5.518,1146 7.697,1147 3.925,1148 21.66,1149 5.412,1150 20.299,1151 1.514,1152 1.549,1153 1.529,1154 1.506,1155 1.498,1156 1.979,1157 0.218,1158 4.406,1159 1.435,1160 4.089,1161 4.086,1162 4.736,1163 4.07,1164 7.717,1165 3.999,1166 4.004,1167 4.007,1168 3.971,1169 3.957,1170 7.474,1171 3.935,1172 3.833,1173 3.871,1174 3.924,1175 3.742,1176 6.999,1177 3.743,1178 3.666,1179 3.686,1180 3.766,1181 3.583,1182 6.449,1183 3.521,1184 3.582,1185 3.6,1186 3.499,1187 3.416,1188 6.351,1189 3.416,1190 3.412,1191 3.448,1192 3.313,1193 3.279,1194 4.93,1195 3.262,1196 3.265,1197 3.3,1198 3.182,1199 3.083,1200 4.884,1201 3.081,1202 2.972,1203 3.015,1204 3.124,1205 2.746,1206 4.673,1207 2.757,1208 0.138,1209 0.134,1210 0.219,1211 0.128,1212 0.101,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.669,1218 0.39,1219 4.49,1220 0.097,1221 3.518,1222 4.697,1223 2.341,1224 13.636,1225 3.412,1226 2.002,1227 1.986,1228 2.102,1229 2.083,1230 1.337,1231 2.097,1232 1.948,1233 1.954,1234 1.956,1235 2.011,1236 1.178,1237 2.048,1238 1.818,1239 1.784,1240 1.943,1241 1.936,1242 1.093,1243 1.942,1244 1.588,1245 1.557,1246 1.797,1247 1.778,1248 1.065,1249 1.791,1250 1.501,1251 1.48,1252 1.694,1253 1.694,1254 0.821,1255 1.702,1256 1.359,1257 1.336,1258 1.554,1259 1.551,1260 0.672,1261 1.576,1262 1.204,1263 1.169,1264 1.181,1265 1.396,1266 0.512,1267 1.428,1268 0.897,1269 0.855,1270 1.179,1271 1.193,1272 0.264,1273 1.181,1274 4.263,1276 5.602,1278 7.128,1280 8.739,1282 10.395,1284 1.646,1285 5.826,1289 20.296,1290 0.711,1291 2.565,1296 -1.356,1300 37.953,1301 100.018,1302 216.371,1303 274.214,1304 310.253,1305 315.008,1306 317.008,1307 108.435,1308 7.349,1309 116.59,1310 124.97,1311 18,1312 12.63,1313 4.459,1314 3.7,1315 64.01,1316 145,1317 165,1318 0.208,1319 242.566,1320 427.25,1321 583.621,1322 15114,1323 1.7,1324 24.062,1325 0.729,1326 0.594,1327 24.812,1328 19.604,1329 15.575,1330 0.445,1331 0.348,1332 10.362,1333 14.017,1334 9.932,1335 8.209,1336 16.685,1337 12.171,1338 15.101,1339 0.302,1340 0.201,1341 16.833,1342 10.051,1343 11.319,1344 0.189,1345 0.117,1346 12.715,1347 7.024,1348 8.485,1349 0.12,1350 0.065,1351 9.506,1352 4.586,1353 6.906,1354 0.078,1355 0.038,1356 7.865,1357 3.394,1358 0.327,1359 108.42,1360 0.212,1361 30.763,1362 0.566,1363 170,1364 546.548,1365 236.679,1366 578.7,1367 751.4,1368 528,1369 195,1370 479.212,1371 260.632,1372 533.056,1373 766.98,1374 498,1375 7.215} {0 CHEMBL116975,1 1.631,2 17.195,3 4.834,4 23.364,5 158.191,6 7.913,7 0.511,8 4.373,9 4.479,10 4.023,11 3.947,12 5.504,13 3.915,14 4.896,15 5.048,16 4.355,17 4.324,18 5.99,19 4.264,20 5.112,21 5.309,22 4.398,23 4.417,24 6.144,25 4.34,26 5.137,27 5.332,28 4.432,29 4.403,30 6.253,31 4.331,32 5.14,33 5.321,34 4.41,35 4.399,36 6.273,37 4.342,38 5.149,39 5.353,40 4.311,41 4.426,42 6.212,43 4.338,44 5.149,45 5.371,46 4.27,47 4.418,48 6.164,49 4.306,50 5.155,51 5.392,52 4.23,53 4.368,54 6.17,55 4.25,56 0.088,57 1.041,58 13.91,59 6.73,60 12.463,61 8.202,62 0.394,63 1.698,64 30.02,65 11.505,66 39.487,67 13.983,68 0.444,69 1.985,70 37.237,71 13.993,72 55.531,73 17.485,74 0.603,75 2.058,76 41.551,77 14.283,78 69.524,79 17.327,80 0.704,81 1.995,82 40.744,83 13.833,84 84.738,85 16.451,86 0.69,87 2.029,88 39.184,89 14.506,90 71.962,91 18.75,92 0.499,93 2.036,94 38.07,95 14.972,96 63.115,97 20.101,98 0.572,99 2.014,100 42.073,101 15.347,102 72.474,103 20.315,104 19,105 60,106 0.251,107 0.593,108 0.801,109 0.896,110 0.909,111 0.913,112 3.741,113 0.972,114 -4.12,115 -4.06,116 -3.85,118 43.1,119 1,120 3,124 3,127 1,140 9,141 4,142 1,143 4,149 1,150 1,153 1,154 2,162 1,168 11,171 1,172 15,175 1,177 3,180 9,186 13,191 3,194 7,197 3,198 15,201 1,203 1,206 11,209 1,210 9,213 1,215 2,218 13,221 2,222 8,225 1,227 2,229 13,233 3,234 7,237 1,239 2,242 12,246 2,247 7,250 1,252 2,255 12,258 2,259 10,264 1,267 10,270 3992,271 28.457,272 28.457,273 28.457,274 28.457,275 28.457,276 25.253,277 26.669,278 17.484,279 29.19,280 22.25,281 22.25,282 22.25,283 22.25,284 22.25,285 17.387,286 28.133,287 8.271,288 23.29,289 4.538,290 2.314,291 0.962,292 0.344,293 0.26,294 0.233,295 4.447,300 1,301 1527,302 4.69,305 212.952,306 441.74,308 173.453,313 2.707,314 38.205,317 0.75,318 0.5,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.61,325 88.5,326 705,327 4.568,328 4.594,329 6.883,330 4.21,331 3.268,332 4.211,333 3.723,334 11.502,335 3.097,336 4.391,337 4,338 6.508,339 4.013,340 3.029,341 3.985,342 2.443,343 10.225,344 2.98,345 4.072,346 3.681,347 6.269,348 3.754,349 2.781,350 3.547,351 2.373,352 9.324,353 2.684,354 3.908,355 3.601,356 5.591,357 3.487,358 2.51,359 3.472,360 1.058,361 7.505,362 2.452,363 3.655,364 3.086,365 5.388,366 3.35,367 2.373,368 2.98,369 0.922,370 6.644,371 2.297,372 3.627,373 2.963,374 5.04,375 3.198,376 2.219,377 2.826,378 0.286,379 6.066,380 2.162,381 3.437,382 2.746,383 5.029,384 2.979,385 2.012,386 2.77,388 5.797,389 1.942,390 3.076,391 2.516,392 4.591,393 2.718,394 1.772,395 2.253,397 4.315,398 1.667,399 2.966,400 2.203,401 4.141,402 2.595,403 1.637,404 2.122,406 3.831,407 1.557,408 2.794,409 2.072,410 4.084,411 2.458,412 1.488,413 1.839,415 3.575,416 1.439,417 2.707,418 1.828,419 3.855,420 2.327,421 1.414,422 1.768,424 3.331,425 1.283,426 2.682,427 1.741,428 3.744,429 2.226,430 1.27,431 1.748,433 2.896,434 1.213,435 2.604,436 1.522,437 3.502,438 2.184,439 1.212,440 1.593,442 2.697,443 1.169,444 2.517,445 1.47,446 3.482,447 2.11,448 1.126,449 1.5,451 2.55,452 1.098,453 2.5,454 1.398,455 3.463,456 1.958,457 1,458 1.5,460 2.239,461 0.954,462 19.667,463 0.48,464 0.709,465 0.017,466 53.5,467 1.305,468 27,469 0.659,470 26.5,471 0.646,472 37.645,473 0.918,474 43.333,475 0.602,476 44.556,477 1.087,478 10.316,479 0.252,480 9.819,481 0.239,482 0.059,484 0.275,487 0.688,488 1.234,489 0.729,490 1.008,491 0.549,492 0.934,493 0.886,494 1.195,495 1.07,496 1.119,497 0.621,498 0.999,499 1.154,500 1.043,501 0.903,502 0.896,503 0.989,504 0.921,505 1.232,506 1.008,507 1.102,508 1.026,509 1.259,510 0.953,511 1.552,512 1.005,513 1.097,514 0.966,515 1.649,516 0.952,517 0.912,518 0.99,519 0.973,520 0.95,521 0.915,522 1.007,523 0.658,524 1.013,525 0.844,526 0.972,527 0.635,528 1.058,529 0.733,530 0.967,531 0.912,532 0.968,533 0.758,534 0.98,535 5.5,536 0.245,537 4,538 2.375,539 1.464,540 1.001,541 0.747,542 0.468,543 0.376,544 0.352,545 31019,546 86077,547 2.12,548 43.1,549 2,550 15,551 2,552 4,553 1,554 2,555 5,558 1.806,559 2.033,560 4.009,561 -0.376,567 117.465,568 1.631,569 3.856,570 5.208,571 5.826,572 5.909,573 5.937,574 3.525,575 5.114,576 5.322,577 4.208,578 3450.17,579 9.407,580 63902.9,585 444.235,586 1.182,587 5.311,588 0.122,589 0.005,590 0.067,591 0.039,592 0.024,593 0.016,594 0.013,595 0.009,596 0.007,597 0.007,598 0.309,599 0.33,600 0.63,601 1.583,602 236.93,603 0.048,604 -0.111,605 0.07,606 -0.018,607 0.011,608 0.001,609 0.034,610 -0.103,611 -0.052,612 -0.062,613 0.051,614 -0.042,615 -0.135,616 -0.03,617 0.04,618 0.071,619 -0.075,620 0.043,621 -0.07,622 0.04,623 -0.023,624 -0.005,625 -0.059,626 -0.001,627 -0.198,628 0.011,629 -0.093,630 0.01,631 -0.217,632 -0.02,633 0.046,634 0.007,635 -0.076,636 -0.008,637 -0.019,638 -0.037,639 0.09,640 -0.036,641 0.01,642 -0.042,643 0.079,644 -0.062,645 0.095,646 -0.001,647 0.052,648 0.007,649 0.1,650 0.03,651 1.872,652 6.347,653 0.634,654 62.087,655 1.005,656 1.12,657 2.888,658 8.342,659 0.686,660 3.829,661 4.111,662 4.394,663 4.673,664 4.844,665 4.949,666 5.118,667 5.209,668 5.303,669 5.398,670 9.671,671 0.653,672 569.74,673 3.829,674 5.352,675 6.196,676 7.064,677 7.93,678 8.811,679 9.689,680 10.578,681 11.465,682 12.36,683 6.9,690 1,691 1,692 1,693 2,699 14,700 2,704 6,705 1,706 23,709 1,712 1,724 72,726 26,727 1,728 45,730 76,731 31,733 20,734 2,735 4,736 2,739 5,740 6,745 1,751 3,753 23,754 8,756 3,761 2,764 1,765 3,772 31,773 8,774 1,775 10,776 1,779 5,784 0.8,785 4,795 2,797 1,801 2,802 3,804 1,819 1,832 4,833 1,834 1,836 1,840 41,846 6,847 1,848 2,849 1,850 1,862 5.6,865 2,867 2,869 20.167,870 13.133,871 9.278,872 4.45,874 4.063,875 1.474,876 0.975,877 9.975,878 12.632,879 4.103,880 4.642,881 5.199,882 5.756,883 6.201,884 6.413,885 6.818,886 7.156,887 7.469,888 7.79,889 0.917,890 61,891 15.17,893 6.382,894 7.736,895 28.978,897 23.486,899 2.236,900 91.667,904 353.133,905 222.165,906 72.881,908 72.509,910 32.22,911 189.945,912 425.642,913 72.881,914 8.825,915 35.699,916 94.334,917 145.598,918 95.206,919 26.299,920 314.726,922 353.133,923 262.826,924 72.509,925 32.22,927 294.278,928 131.364,931 102.013,932 127.242,933 33.571,934 32.22,935 353.133,936 145.389,937 222.165,940 353.133,941 82.816,942 141.248,943 18.011,944 125.479,945 353.133,946 145.389,947 222.165,949 0.562,950 0.329,951 0.186,952 0.095,953 26,954 11,955 0.171,956 13,957 1,958 1.077,959 5.191,960 399.278,961 0.077,962 26,963 219.66,964 1,968 28.751,969 14.225,970 7.307,972 143.49,973 26.109,974 8.469,978 4.957,979 2.143,980 18.011,981 720.687,982 59.5,987 24.881,990 4.408,991 0.226,994 72.381,995 80.647,996 0.264,997 0.625,998 0.844,999 0.944,1000 0.958,1001 0.962,1002 5.317,1003 1.772,1004 6.146,1005 5.797,1006 4.796,1007 5.33,1008 3.968,1009 6.938,1010 4.714,1011 6.49,1012 1.637,1013 7.684,1014 4.315,1015 4.205,1016 4.924,1017 2.656,1018 7.825,1019 4.121,1020 7.773,1021 1.488,1022 9.331,1023 3.831,1024 6.351,1025 7.442,1026 6.167,1027 10.974,1028 6.201,1029 9.096,1030 1.414,1031 11.049,1032 3.575,1033 6.686,1034 7.93,1035 5.13,1036 12.782,1037 6.517,1038 10.457,1039 1.27,1040 12.813,1041 3.331,1042 8.225,1043 9.857,1044 8.613,1045 15.427,1046 8.005,1047 11.845,1048 1.212,1049 14.611,1050 2.896,1051 8.995,1052 10.776,1053 7.742,1054 17.589,1055 8.741,1056 13.254,1057 1.126,1058 16.433,1059 2.697,1060 10.291,1061 12.44,1062 11.15,1063 20.075,1064 9.993,1065 3.268,1066 1,1067 18.272,1068 2.55,1069 11.267,1070 13.584,1071 10.454,1072 22.38,1073 10.926,1074 3.029,1075 11.502,1076 20.125,1077 2.239,1078 12.467,1079 15.121,1080 13.726,1081 24.816,1082 12.083,1083 2.781,1084 10.225,1085 21.988,1086 4.211,1087 13.54,1088 16.387,1089 13.201,1090 27.183,1091 13.108,1092 2.51,1093 9.324,1094 23.859,1095 3.985,1096 14.706,1097 17.861,1098 16.318,1099 29.605,1100 14.229,1101 2.373,1102 7.505,1103 25.737,1104 3.547,1105 15.825,1106 19.195,1107 15.949,1108 32.001,1109 15.299,1110 2.219,1111 6.644,1112 27.62,1113 3.472,1114 16.982,1115 20.639,1116 18.919,1117 34.421,1118 16.409,1119 2.012,1120 6.066,1121 29.507,1122 2.98,1123 18.123,1124 22.01,1125 18.686,1126 36.832,1127 17.499,1128 29328,1129 49007,1130 30.8,1131 49.392,1132 66.678,1133 72.181,1134 67.854,1135 65.968,1136 66.052,1137 86.056,1138 21.611,1139 182.127,1140 63.22,1141 5.488,1142 6.594,1143 6.712,1144 5.343,1145 5.268,1146 7.211,1147 7.34,1148 19.021,1149 5.097,1150 16.093,1151 1.482,1152 1.604,1153 1.508,1154 1.466,1155 1.468,1156 1.912,1157 0.48,1158 4.047,1159 1.405,1160 4.087,1161 4.121,1162 4.17,1163 3.995,1164 7.433,1165 3.99,1166 3.969,1167 4,1168 3.937,1169 3.894,1170 7.428,1171 3.893,1172 3.823,1173 3.863,1174 3.768,1175 3.72,1176 5.012,1177 3.725,1178 3.784,1179 3.825,1180 3.723,1181 3.69,1182 4.908,1183 3.693,1184 3.746,1185 3.788,1186 3.629,1187 3.579,1188 4.801,1189 3.577,1190 3.526,1191 3.579,1192 3.513,1193 3.293,1194 4.715,1195 3.299,1196 3.37,1197 3.415,1198 3.388,1199 3.229,1200 4.662,1201 3.194,1202 3.307,1203 3.352,1204 3.22,1205 3.112,1206 4.467,1207 3.111,1208 0.102,1209 0.102,1210 0.153,1211 0.094,1212 0.073,1213 4.568,1214 0.094,1215 4.594,1216 0.083,1217 6.883,1218 0.256,1219 4.21,1220 0.069,1221 3.268,1222 4.211,1223 3.723,1224 11.502,1225 3.097,1226 1.948,1227 1.922,1228 2.035,1229 2.046,1230 1.279,1231 2.043,1232 1.853,1233 1.819,1234 1.954,1235 1.977,1236 1.135,1237 1.976,1238 1.788,1239 1.753,1240 1.952,1241 1.918,1242 1.104,1243 1.923,1244 1.711,1245 1.662,1246 1.904,1247 1.904,1248 0.973,1249 1.91,1250 1.613,1251 1.596,1252 1.8,1253 1.745,1254 0.94,1255 1.758,1256 1.483,1257 1.42,1258 1.7,1259 1.729,1260 0.929,1261 1.723,1262 1.463,1263 1.402,1264 1.608,1265 1.672,1266 0.77,1267 1.659,1268 1.271,1269 1.218,1270 1.54,1271 1.539,1272 0.711,1273 1.536,1274 4.511,1276 5.802,1277 3.045,1278 7.286,1279 5.416,1280 8.862,1281 7.535,1282 10.493,1284 1.793,1290 3.158,1291 3.051,1292 10.595,1293 1.773,1294 0.104,1300 47.002,1301 117.465,1302 277.647,1303 374.95,1304 419.48,1305 425.48,1306 427.48,1307 80.864,1308 8.569,1309 107.7,1310 133,1311 28,1312 12.887,1313 4.755,1314 3.954,1315 66.454,1316 234,1317 291,1318 0.133,1319 291.27,1320 511.17,1321 702.458,1322 76828,1324 28.443,1325 0.694,1326 0.574,1327 28.796,1328 23.549,1329 20.135,1330 0.447,1331 0.324,1332 13.437,1333 18.901,1334 13.064,1335 10.816,1336 20.589,1337 14.576,1338 17.161,1339 0.286,1340 0.174,1341 17.686,1342 10.414,1343 14.458,1344 0.181,1345 0.097,1346 15.193,1347 7.781,1348 12.462,1349 0.118,1350 0.056,1351 13.357,1352 5.883,1353 9.453,1354 0.075,1355 0.03,1356 10.248,1357 3.807,1358 0.215,1359 130.816,1360 0.18,1361 37.303,1362 0.348,1363 210,1364 646.716,1365 253.097,1366 637.687,1367 867.43,1368 600,1369 245,1370 619.646,1371 286.951,1372 632,1373 922.36,1374 595,1375 8.921} {0 CHEMBL116980,1 1.858,2 8.167,3 2.653,4 7.036,5 81.263,6 8.877,7 0.577,8 3.779,9 3.883,10 3.464,11 3.258,12 5.041,13 3.298,14 4.331,15 4.484,16 3.925,17 3.652,18 6.102,19 3.683,20 4.484,21 4.66,22 3.79,23 3.763,24 5.736,25 3.736,26 4.618,27 4.834,28 3.795,29 3.768,30 5.873,31 3.735,32 4.509,33 4.715,34 3.814,35 3.72,36 5.764,37 3.696,38 4.543,39 4.745,40 3.869,41 3.672,42 5.884,43 3.687,44 4.506,45 4.725,46 3.631,47 3.506,48 5.861,49 3.509,50 4.431,51 4.664,52 3.478,53 3.203,54 5.936,55 3.246,56 0.234,57 0.785,58 5.355,59 3.38,60 40.353,61 3.508,62 0.975,63 1.553,64 12.726,65 5.426,66 160.903,67 5.85,68 0.629,69 1.327,70 15.428,71 7.15,72 83.145,73 8.224,74 0.977,75 1.446,76 21.622,77 7.976,78 132.958,79 9.218,80 0.764,81 1.324,82 18.009,83 7.175,84 92.8,85 8.877,86 0.736,87 1.392,88 18.728,89 7.25,90 103.185,91 8.507,92 0.974,93 1.242,94 20.558,95 7.011,96 158.821,97 7.531,98 1.273,99 1.071,100 21.969,101 5.66,102 182.934,103 5.692,104 32,105 38,106 0.332,107 0.699,108 0.855,109 0.887,110 0.887,111 0.887,112 3.229,113 0.832,114 -3.6,115 -3.57,116 -3.41,118 42.1,120 1,124 2,131 1,140 3,141 3,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 6,175 1,177 1,180 5,186 3,187 1,194 4,197 2,198 3,201 1,206 4,210 3,218 2,219 3,221 1,222 6,227 3,229 1,230 2,234 4,235 1,239 2,243 1,246 1,247 3,250 1,252 1,260 1,270 828,271 15.557,272 15.557,273 15.557,274 15.557,275 15.557,276 13.645,277 18.89,278 9.056,279 16.088,280 12.866,281 12.866,282 12.866,283 12.866,284 12.866,285 9.901,286 23.883,287 4.353,288 13.802,289 3.39,290 1.333,291 0.461,292 0.283,293 0.283,294 0.283,295 3.902,298 1,299 1,300 1,301 409,302 3.873,305 113.805,306 61.32,309 95.751,313 1.347,314 44.891,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 56,326 196,327 4.686,328 4.461,329 7.127,330 4.266,331 3.357,332 4.633,333 3.825,334 11.786,335 3.151,336 4.351,337 3.6,338 6.74,339 4.05,340 3.139,341 3.635,342 2.341,343 10.99,344 2.776,345 3.928,346 3.287,347 5.645,348 3.473,349 2.554,350 3.474,351 0.522,352 7.576,353 2.346,354 3.587,355 2.712,356 5.293,357 3.254,358 2.266,359 2.868,361 6.535,362 2.216,363 3.423,364 2.229,365 4.914,366 2.983,367 2.017,368 2.669,370 5.605,371 1.931,372 3.26,373 2.138,374 4.621,375 2.825,376 1.884,377 2.496,379 5.023,380 1.743,381 2.772,382 1.616,383 4.507,384 2.331,385 1.389,386 1.864,388 4.209,389 1.282,390 2.605,391 1.274,392 3.79,393 2.131,394 1.18,395 1.646,397 2.844,398 1.119,399 2.392,400 1.143,401 3.395,402 1.951,403 0.989,404 1.347,406 2.377,407 0.946,408 2.118,409 0.879,410 3,411 1.554,412 0.618,413 0.927,415 1.372,416 0.577,417 1.71,418 0.618,419 2.983,420 1.433,421 0.451,422 0.535,424 1.041,425 0.438,426 1.074,427 0.51,428 2.837,429 0.728,430 -0.224,431 -0.282,433 -0.634,434 -0.212,435 0.831,436 0.51,437 2.684,438 0.433,439 -0.544,440 -0.679,442 -1.518,443 -0.524,444 0.624,445 0.375,446 2.279,447 0.156,448 -0.831,449 -1,451 -2,452 -0.7,453 0.464,454 0.009,455 2.213,456 0.014,457 -1,458 -1,460 -2.568,461 -0.7,462 10.724,463 0.447,464 0.83,465 0.035,466 29.75,467 1.24,468 13.5,469 0.563,470 16.25,471 0.677,472 18.076,473 0.753,474 27.076,475 0.713,476 24.215,477 1.009,478 6.241,479 0.26,480 5.101,481 0.213,482 0.142,483 0.047,484 0.308,485 3,487 0.645,488 1.087,489 0.614,490 1.109,491 0.626,492 0.935,493 0.463,494 0.695,495 0.703,496 0.838,497 0.336,498 0.86,499 0.68,500 0.926,501 0.938,502 1.155,503 0.619,504 1.187,505 0.88,506 0.904,507 1.052,508 0.957,509 0.862,510 1.054,511 0.616,512 0.831,513 0.823,514 1.063,515 0.649,516 1.065,517 0.799,518 1.04,519 0.792,520 1.133,521 0.752,522 1.017,523 1.252,524 1.141,525 1.191,526 1.125,527 1.268,528 1.119,529 1.639,530 0.987,531 1.426,532 0.811,533 1.821,534 0.939,535 6.5,536 0.1,537 2.889,538 1.924,539 1.093,540 1.195,541 0.801,542 0.338,543 0.427,544 0.151,545 5666,546 23734,547 2.005,548 36.8,550 7,551 2,552 2,553 1,554 2,558 1.676,559 1.834,560 3.03,561 -0.219,562 1,563 1,565 1,567 70.609,568 1.858,569 3.914,570 4.787,571 4.965,572 4.965,573 4.965,574 2.282,575 3.97,576 4.55,577 3.247,578 896.075,579 7.895,580 10563.3,581 1,582 1,583 1,584 1,585 199.421,586 1.697,587 4.483,588 0.25,589 0.01,590 0.076,591 0.057,592 0.033,593 0.035,594 0.023,595 0.013,596 0.021,597 0.008,598 0.526,599 0.33,600 1,601 1.343,602 112.544,603 -0.07,604 -0.166,605 0.012,606 -0.071,607 -0.087,608 -0.015,609 0.336,610 0.332,611 0.082,612 0.143,613 0.421,614 0.042,615 -0.061,616 -0.139,617 -0.124,618 -0.153,619 -0.016,620 -0.173,621 -0.078,622 -0.016,623 -0.105,624 0.023,625 -0.088,626 -0.032,627 0.08,628 0.023,629 0.073,630 -0.067,631 0.01,632 -0.029,633 -0.037,634 -0.224,635 0.138,636 -0.167,637 -0.007,639 -0.214,640 -0.142,641 -0.15,642 -0.14,643 -0.217,644 -0.111,645 -0.241,646 0.132,647 -0.232,648 0.115,649 -0.386,650 0.001,651 5.694,652 4.958,653 0.583,654 22.125,655 1.044,656 1.154,657 2.371,658 5.62,659 0.66,660 3.296,661 3.664,662 3.871,663 4.143,664 4.357,665 4.575,666 4.771,667 4.844,668 4.86,669 4.762,670 5.483,671 0.667,672 337.33,673 3.296,674 4.86,675 5.7,676 6.6,677 7.473,678 8.379,679 9.268,680 10.179,681 11.077,682 11.991,683 7.9,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,724 38,726 16,727 1,728 26,730 40,731 16,733 11,734 3,735 3,739 3,740 4,745 1,750 1,751 1,753 12,754 4,756 1,761 1,765 1,768 1,769 1,770 3,772 14,773 6,774 1,775 8,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,838 3,840 24,845 1,846 3,852 1,861 3,862 5.3,864 1,865 1,869 13.083,870 6.729,871 5.083,872 2.109,874 2.793,875 1.397,876 0.972,877 4.374,878 9.82,879 3.57,880 4.212,881 4.785,882 5.417,883 5.897,884 6.365,885 6.854,886 7.228,887 7.423,888 7.618,889 0.667,890 34,891 9.319,893 4.479,894 8.503,895 16.005,897 13.14,899 3.003,900 72.083,904 153.024,905 90.693,906 20.584,908 67.828,909 44.88,911 90.693,912 220.853,913 65.464,915 6.746,916 46.524,917 117.684,918 66.67,919 25.686,920 105.94,921 7.76,922 153.024,923 111.277,924 112.709,927 153.024,928 112.709,931 35.97,932 58.522,933 16.786,935 197.905,936 88.412,937 90.693,940 160.784,941 18.744,942 67.988,944 129.494,945 153.024,946 133.292,947 90.693,949 0.595,950 0.315,951 0.16,952 0.089,953 19,954 9,955 0.125,956 5,957 1,958 1.143,959 3.507,960 196.633,961 0.143,962 14,963 103.284,968 16.593,969 6.327,970 3.648,971 1.045,972 129.494,973 10.228,974 3.941,978 0.056,979 3.36,980 42.683,981 377.01,982 34.5,987 10.792,991 -1,994 39.683,995 43.839,996 0.354,997 0.746,998 0.912,999 0.946,1000 0.946,1001 0.946,1002 4.826,1003 1.18,1004 5.746,1005 4.209,1006 4.344,1007 4.898,1008 3.399,1009 6.611,1010 4.214,1011 6.077,1012 0.989,1013 7.348,1014 2.844,1015 4.205,1016 4.879,1017 4.06,1018 7.818,1019 3.908,1020 7.418,1021 0.618,1022 9.062,1023 2.377,1024 6.043,1025 7.165,1026 5.571,1027 10.833,1028 5.764,1029 8.796,1030 0.451,1031 10.845,1032 1.372,1033 6.686,1034 7.966,1035 6.762,1036 12.835,1037 6.241,1038 10.206,1039 -0.224,1040 12.672,1041 1.041,1042 8.081,1043 9.769,1044 8.113,1045 15.454,1046 7.629,1047 11.638,1048 -0.544,1049 14.529,1050 -0.634,1051 9.046,1052 10.957,1053 9.418,1054 17.741,1055 8.458,1056 13.089,1057 -0.831,1058 16.408,1059 -1.518,1060 10.297,1061 12.578,1062 10.755,1063 20.241,1064 9.672,1065 3.357,1066 -1,1067 18.303,1068 -2,1069 11.394,1070 13.95,1071 12.086,1072 22.629,1073 10.664,1074 3.139,1075 11.786,1076 20.21,1077 -2.568,1078 12.598,1079 15.505,1080 13.424,1081 25.093,1082 11.816,1083 2.554,1084 10.99,1085 22.127,1086 4.633,1087 13.75,1088 16.963,1089 14.762,1090 27.518,1091 12.883,1092 2.266,1093 7.576,1094 24.051,1095 3.635,1096 14.942,1097 18.496,1098 16.102,1099 29.97,1100 14.016,1101 2.017,1102 6.535,1103 25.98,1104 3.474,1105 16.116,1106 19.992,1107 17.443,1108 32.409,1109 15.118,1110 1.884,1111 5.605,1112 27.914,1113 2.868,1114 17.307,1115 21.521,1116 18.784,1117 34.859,1118 16.248,1119 1.389,1120 5.023,1121 29.851,1122 2.669,1123 18.492,1124 23.035,1125 20.125,1126 37.305,1127 17.367,1128 5674,1129 11734,1130 16.701,1131 25.068,1132 40.472,1133 39.321,1134 39.722,1135 39.937,1136 39.689,1137 52.191,1138 13.375,1139 118.718,1140 37.052,1141 5.507,1142 6.461,1143 6.741,1144 5.324,1145 5.357,1146 7.633,1147 5.409,1148 18.918,1149 5.151,1150 13.839,1151 1.557,1152 1.512,1153 1.528,1154 1.536,1155 1.527,1156 2.007,1157 0.514,1158 4.566,1159 1.425,1160 4.167,1161 4.201,1162 4.133,1163 4.074,1164 8.513,1165 4.083,1166 3.88,1167 3.946,1168 3.826,1169 3.674,1170 7.999,1171 3.704,1172 3.657,1173 3.696,1174 3.607,1175 3.474,1176 7.999,1177 3.49,1178 3.507,1179 3.534,1180 3.466,1181 3.313,1182 7.474,1183 3.334,1184 3.14,1185 3.185,1186 3.086,1187 2.89,1188 6.351,1189 2.917,1190 3.066,1191 3.131,1192 2.963,1193 2.791,1194 4.977,1195 2.831,1196 2.788,1197 2.844,1198 2.614,1199 2.538,1200 4.856,1201 2.559,1202 2.667,1203 2.75,1204 2.513,1205 2.407,1206 4.209,1207 2.425,1208 0.18,1209 0.172,1210 0.274,1211 0.164,1212 0.129,1213 4.686,1214 0.178,1215 4.461,1216 0.147,1217 7.127,1218 0.453,1219 4.266,1220 0.121,1221 3.357,1222 4.633,1223 3.825,1224 11.786,1225 3.151,1226 1.959,1227 1.938,1228 2.034,1229 2.054,1230 1.238,1231 2.046,1232 1.722,1233 1.668,1234 1.883,1235 1.92,1236 1.138,1237 1.912,1238 1.548,1239 1.497,1240 1.732,1241 1.777,1242 0.932,1243 1.76,1244 1.328,1245 1.277,1246 1.502,1247 1.533,1248 0.554,1249 1.524,1250 1.241,1251 1.178,1252 1.399,1253 1.512,1254 0.408,1255 1.474,1256 1.136,1257 1.108,1258 1.216,1259 1.452,1260 0.315,1261 1.357,1262 0.848,1263 0.786,1264 1.101,1265 1.134,1266 0.161,1267 1.114,1268 0.705,1269 0.66,1270 0.968,1271 1.011,1272 0.073,1273 1.025,1274 3.97,1276 5.323,1277 3.045,1278 6.841,1279 5.352,1280 8.44,1281 7.413,1282 10.092,1286 38.873,1289 8.839,1290 0.392,1296 -4.444,1300 25.331,1301 70.609,1302 148.75,1303 181.911,1304 188.666,1305 188.666,1306 188.666,1307 55.897,1308 7.027,1309 60.05,1310 60.05,1311 16,1312 12.507,1313 4.087,1314 3.248,1315 38.934,1316 77,1317 73,1318 0.252,1319 153.546,1320 265.89,1321 366.412,1322 8891,1323 7.9,1324 17.32,1325 0.722,1326 0.521,1327 14.82,1328 12.494,1329 11.342,1330 0.436,1331 0.277,1332 7.032,1333 10.628,1334 6.963,1335 5.684,1336 10.131,1337 7.209,1338 11.317,1339 0.298,1340 0.144,1341 9.359,1342 5.456,1343 8.222,1344 0.175,1345 0.08,1346 7.259,1347 3.771,1348 6.706,1349 0.108,1350 0.043,1351 6.139,1352 2.648,1353 5.185,1354 0.067,1355 0.023,1356 4.806,1357 1.788,1358 0.382,1359 73.146,1360 0.245,1361 23.082,1362 0.736,1363 128,1364 599.154,1365 155.384,1366 493.359,1367 630.98,1368 454,1369 149,1370 431.765,1371 169.489,1372 416.936,1373 624.59,1374 389,1375 8} {0 CHEMBL117018,1 1.648,2 19.652,3 4.562,4 20.814,5 174.808,6 7.815,7 0.56,8 4.498,9 4.603,10 4.2,11 4.056,12 5.602,13 4.024,14 5.032,15 5.193,16 4.478,17 4.416,18 6.243,19 4.368,20 5.256,21 5.449,22 4.523,23 4.541,24 6.336,25 4.469,26 5.321,27 5.52,28 4.497,29 4.537,30 6.45,31 4.463,32 5.306,33 5.506,34 4.491,35 4.551,36 6.406,37 4.471,38 5.34,39 5.55,40 4.477,41 4.592,42 6.406,43 4.488,44 5.334,45 5.556,46 4.432,47 4.572,48 6.369,49 4.446,50 5.303,51 5.543,52 4.452,53 4.512,54 6.295,55 4.379,56 0.153,57 1.217,58 18.665,59 7.797,60 22.885,61 9.482,62 0.61,63 1.918,64 32.767,65 12.597,66 78.218,67 15.867,68 0.584,69 2.301,70 46.145,71 16.213,72 77.146,73 20.15,74 0.758,75 2.375,76 48.137,77 16.41,78 105.564,79 20.447,80 0.722,81 2.302,82 47.745,83 17.066,84 96.559,85 21.298,86 0.831,87 2.423,88 50.415,89 17.968,90 99.076,91 23.197,92 0.798,93 2.383,94 49.485,95 18.311,96 93.235,97 24.225,98 0.639,99 2.312,100 50.692,101 18.006,102 83.358,103 23.784,104 35,105 68,106 0.246,107 0.571,108 0.77,109 0.876,110 0.888,111 0.888,112 3.853,113 0.992,114 -3.97,115 -3.92,116 -3.72,118 41.5,119 2,120 3,124 4,140 11,141 4,142 1,143 4,144 1,150 1,153 1,154 1,157 1,162 1,168 14,171 3,172 13,175 2,177 1,180 13,185 1,186 17,191 4,194 8,197 2,198 21,203 4,206 9,209 1,210 16,215 2,218 14,221 2,222 10,225 1,227 1,229 19,233 4,234 6,237 2,239 1,242 18,246 2,247 6,250 1,252 1,255 15,258 4,259 15,262 1,264 3,267 10,270 5504,271 31.291,272 31.291,273 31.291,274 31.291,275 31.291,276 27.307,277 27.361,278 18.961,279 32.053,280 24.691,281 24.691,282 24.691,283 24.691,284 24.691,285 18.631,286 29.439,287 8.967,288 25.803,289 4.71,290 2.535,291 1.199,292 0.491,293 0.409,294 0.409,295 4.555,301 1945,302 5.244,305 132.027,306 698.285,309 244.784,313 3.187,314 52.151,317 0.5,318 0.5,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.49,325 100,326 904,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.698,333 2.443,334 12.407,335 3.074,336 4.62,337 4,338 6.726,339 4.123,340 3.182,341 4.568,342 2.373,343 10.951,344 2.994,345 4.39,346 3.681,347 6.508,348 4.012,349 3.026,350 3.985,351 0.522,352 10.223,353 2.981,354 3.916,355 3.287,356 5.556,357 3.515,358 2.523,359 3.477,360 0.522,361 7.348,362 2.502,363 3.887,364 2.986,365 5.486,366 3.469,367 2.478,368 3.441,369 0.286,370 7.286,371 2.455,372 3.655,373 2.696,374 5.27,375 3.35,376 2.373,377 2.969,379 6.345,380 2.297,381 3.547,382 2.665,383 5.048,384 3.078,385 2.123,386 2.842,388 6.066,389 2.031,390 3.481,391 2.242,392 5.029,393 3.04,394 2.063,395 2.825,397 5.859,398 2.006,399 3.18,400 2.142,401 4.814,402 2.728,403 1.777,404 2.467,406 5.048,407 1.685,408 3.072,409 1.861,410 4.728,411 2.693,412 1.733,413 2.294,415 4.792,416 1.658,417 3.017,418 1.828,419 4.137,420 2.568,421 1.599,422 2.188,424 3.862,425 1.542,426 2.83,427 1.751,428 3.75,429 2.483,430 1.509,431 1.984,433 3.333,434 1.467,435 2.794,436 1.688,437 3.622,438 2.289,439 1.354,440 1.839,442 2.936,443 1.263,444 2.675,445 1.538,446 3.569,447 2.225,448 1.269,449 1.741,451 2.726,452 1.213,453 2.517,454 1.389,455 3.515,456 2.175,457 1.194,458 1.5,460 2.58,461 1.163,462 21.9,463 0.476,464 1.008,465 0.022,466 61.5,467 1.337,468 32,469 0.696,470 29.5,471 0.641,472 42.305,473 0.92,474 49.5,475 0.604,476 55.278,477 1.202,478 12.141,479 0.264,480 10.194,481 0.222,482 0.091,483 0.038,484 0.247,487 0.604,488 1.358,489 0.793,490 1.224,491 0.623,492 0.991,493 0.815,494 1.112,495 0.888,496 0.978,497 0.591,498 0.944,499 1.139,500 1.101,501 1.104,502 1.055,503 0.958,504 0.974,505 1.362,506 1.033,507 1.114,508 1.003,509 1.394,510 1.024,511 1.261,512 1.002,513 1.042,514 0.971,515 1.175,516 0.978,517 0.919,518 0.974,519 1.074,520 1.038,521 0.942,522 1.042,523 0.748,524 0.976,525 0.977,526 1.027,527 0.889,528 1.076,529 0.71,530 0.993,531 0.901,532 1.019,533 0.766,534 0.991,535 8.5,536 0.322,537 5.111,538 3.201,539 1.853,540 1.504,541 0.799,542 0.589,543 0.65,544 0.553,545 44397,546 124484,547 2.075,548 43.9,549 2,550 19,552 4,553 1,554 5,555 5,558 1.831,559 1.964,560 4.169,561 -0.371,567 135.109,568 1.648,569 3.823,570 5.159,571 5.867,572 5.949,573 5.949,574 3.679,575 5.246,576 5.49,577 4.417,578 4571.79,579 9.728,580 95237.8,585 521.319,586 1.381,587 5.461,588 0.17,589 0.005,590 0.075,591 0.046,592 0.028,593 0.022,594 0.012,595 0.01,596 0.011,597 0.009,598 0.389,599 0.33,600 0.5,601 1.549,602 277.404,603 0.106,604 -0.173,605 0.17,606 -0.095,607 -0.075,608 -0.009,609 0.141,610 -0.013,611 0.041,612 0.025,613 0.196,614 0.01,615 -0.134,616 -0.051,617 -0.057,618 -0.014,619 -0.054,620 0.003,621 -0.197,622 -0.008,623 -0.123,624 -0.031,625 -0.145,626 -0.075,627 -0.151,628 -0.012,629 -0.055,630 0.029,631 -0.103,632 -0.001,633 0.002,634 0.029,635 -0.074,636 -0.018,637 -0.045,638 -0.045,639 0.083,641 -0.007,642 -0.018,643 -0.021,644 -0.062,645 0.082,646 -0.021,647 0.16,648 0.029,649 0.037,650 0.04,651 4.69,652 6.195,653 0.587,654 80.318,655 1.007,656 1.124,657 2.739,658 7.503,659 0.675,660 3.932,661 4.234,662 4.477,663 4.71,664 4.913,665 4.949,666 5.075,667 5.193,668 5.278,669 5.333,670 11.122,671 0.644,672 640.83,673 3.932,674 5.468,675 6.304,676 7.172,677 8.029,678 8.904,679 9.771,680 10.651,681 11.522,682 12.405,683 7.3,685 1,691 1,692 1,693 3,698 2,699 15,700 3,704 6,705 1,706 28,709 1,724 82,726 32,727 2,728 50,730 86,731 34,733 23,734 4,735 8,736 1,739 5,740 6,745 2,751 3,753 25,754 9,756 4,760 1,761 3,764 1,765 2,772 36,773 10,774 1,775 12,776 1,778 1,779 6,784 0.8,785 5,795 2,801 1,802 4,805 1,819 1,832 4,834 1,836 2,840 46,844 1,846 7,847 1,848 2,862 6.1,865 3,867 2,869 23.417,870 15.25,871 10.264,872 5.004,874 5.144,875 1.589,876 0.981,877 11.271,878 13.876,879 4.234,880 4.842,881 5.391,882 5.954,883 6.474,884 6.701,885 7.1,886 7.462,887 7.711,888 8.03,889 1,890 70,891 17.28,893 7.495,894 7.817,895 32.379,897 26.206,899 2.317,900 106.583,904 411.989,905 215.743,906 88.061,908 91.677,910 5.807,911 209.936,912 503.665,913 88.061,914 17.65,915 21,916 126.451,917 179.175,918 96.144,919 2.144,920 364.904,922 411.989,923 297.996,924 91.677,925 5.807,927 353.133,928 150.532,931 117.016,932 130.624,933 56.164,935 411.989,936 179.737,937 215.743,939 5.807,940 411.989,941 51.857,942 159.978,943 16.405,944 161.433,945 411.989,946 179.737,947 215.743,949 0.571,950 0.328,951 0.175,952 0.094,953 29,954 13,955 0.186,956 16,957 1,958 1.074,959 5.578,960 457.08,961 0.074,962 27,963 248.084,967 1,968 32.962,969 15.729,970 8.865,971 1.795,972 177.838,973 26.732,974 12.894,978 4.242,979 2.075,980 16.405,981 807.469,982 68,986 -3.774,987 37.94,990 4.385,991 0.343,994 82.578,995 92.185,996 0.259,997 0.601,998 0.811,999 0.923,1000 0.936,1001 0.936,1002 5.455,1003 2.063,1004 6.286,1005 6.066,1006 4.92,1007 5.531,1008 3.152,1009 7.096,1010 4.837,1011 6.673,1012 1.777,1013 7.846,1014 5.859,1015 4.511,1016 5.447,1017 2.243,1018 8.179,1019 4.369,1020 7.998,1021 1.733,1022 9.522,1023 5.048,1024 6.535,1025 7.809,1026 4.703,1027 11.236,1028 6.356,1029 9.37,1030 1.599,1031 11.273,1032 4.792,1033 7.004,1034 8.601,1035 4.269,1036 13.212,1037 6.739,1038 10.781,1039 1.509,1040 13.075,1041 3.862,1042 8.49,1043 10.444,1044 6.395,1045 15.841,1046 8.189,1047 12.221,1048 1.354,1049 14.915,1050 3.333,1051 9.358,1052 11.635,1053 6.158,1054 18.14,1055 8.96,1056 13.684,1057 1.269,1058 16.781,1059 2.936,1060 10.642,1061 13.282,1062 8.121,1063 20.655,1064 10.197,1065 3.377,1066 1.194,1067 18.668,1068 2.726,1069 11.69,1070 14.656,1071 7.992,1072 23.07,1073 11.148,1074 3.182,1075 12.407,1076 20.57,1077 2.58,1078 12.903,1079 16.226,1080 9.86,1081 25.559,1082 12.299,1083 3.026,1084 10.951,1085 22.485,1086 4.698,1087 14.029,1088 17.684,1089 9.802,1090 28.018,1091 13.332,1092 2.523,1093 10.223,1094 24.41,1095 4.568,1096 15.219,1097 19.226,1098 11.606,1099 30.504,1100 14.451,1101 2.478,1102 7.348,1103 26.344,1104 3.985,1105 16.379,1106 20.723,1107 11.599,1108 32.983,1109 15.522,1110 2.373,1111 7.286,1112 28.283,1113 3.477,1114 17.566,1115 22.255,1116 13.355,1117 35.473,1118 16.63,1119 2.123,1120 6.345,1121 30.228,1122 3.441,1123 18.743,1124 23.771,1125 13.391,1126 37.964,1127 17.718,1128 42017,1129 70584,1130 33.572,1131 55.375,1132 73.9,1133 77.576,1134 75.348,1135 73.548,1136 73.535,1137 99.195,1138 12.29,1139 206.472,1140 70.594,1141 5.765,1142 6.684,1143 7.122,1144 5.368,1145 5.377,1146 7.698,1147 4.816,1148 19.581,1149 5.074,1150 22.159,1151 1.478,1152 1.552,1153 1.507,1154 1.471,1155 1.471,1156 1.984,1157 0.246,1158 4.129,1159 1.412,1160 4.148,1161 4.182,1162 4.735,1163 4.087,1164 7.717,1165 4.04,1166 4.048,1167 4.055,1168 4.087,1169 3.943,1170 7.432,1171 3.938,1172 3.966,1173 3.98,1174 3.935,1175 3.908,1176 6.999,1177 3.895,1178 3.808,1179 3.847,1180 3.742,1181 3.717,1182 5.084,1183 3.719,1184 3.747,1185 3.789,1186 3.706,1187 3.583,1188 5.004,1189 3.578,1190 3.657,1191 3.66,1192 3.629,1193 3.577,1194 4.799,1195 3.517,1196 3.525,1197 3.578,1198 3.391,1199 3.293,1200 4.689,1201 3.299,1202 3.42,1203 3.49,1204 3.329,1205 3.239,1206 4.656,1207 3.246,1208 0.097,1209 0.094,1210 0.146,1211 0.086,1212 0.068,1213 4.845,1214 0.094,1215 4.684,1216 0.049,1217 7.293,1218 0.248,1219 4.295,1220 0.061,1221 3.377,1222 4.698,1223 2.443,1224 12.407,1225 3.074,1226 1.995,1227 1.992,1228 2.056,1229 2.079,1230 1.279,1231 2.101,1232 1.949,1233 1.926,1234 2.036,1235 2.042,1236 1.257,1237 2.043,1238 1.85,1239 1.82,1240 1.953,1241 1.972,1242 1.19,1243 1.975,1244 1.793,1245 1.757,1246 1.917,1247 1.913,1248 1.048,1249 1.923,1250 1.711,1251 1.662,1252 1.91,1253 1.904,1254 0.964,1255 1.911,1256 1.597,1257 1.578,1258 1.8,1259 1.794,1260 0.94,1261 1.798,1262 1.483,1263 1.424,1264 1.744,1265 1.742,1266 0.849,1267 1.758,1268 1.455,1269 1.418,1270 1.547,1271 1.642,1272 0.77,1273 1.667,1274 4.615,1276 5.922,1277 2.398,1278 7.419,1279 4.844,1280 9.003,1281 7.018,1282 10.634,1284 3.719,1290 2.95,1291 2.709,1292 10.573,1300 52.791,1301 135.109,1302 313.469,1303 423.001,1304 481.055,1305 487.809,1306 487.809,1307 108.11,1308 8.732,1309 137.66,1310 146.04,1311 29,1312 12.942,1313 5.044,1314 4.248,1315 79.627,1316 306,1317 354,1318 0.121,1319 327.91,1320 569.32,1321 791.86,1322 101905,1324 32.357,1325 0.703,1326 0.579,1327 32.607,1328 26.612,1329 22.336,1330 0.447,1331 0.331,1332 14.961,1333 20.64,1334 14.471,1335 12.025,1336 23.157,1337 16.529,1338 19.806,1339 0.291,1340 0.181,1341 21.129,1342 12.322,1343 16.128,1344 0.185,1345 0.1,1346 17.219,1347 8.662,1348 13.185,1349 0.12,1350 0.054,1351 14.049,1352 5.921,1353 10.534,1354 0.078,1355 0.03,1356 11.337,1357 4.09,1358 0.199,1359 148.537,1360 0.173,1361 41.23,1362 0.31,1363 236,1364 744.097,1365 296.674,1366 732.419,1367 994.63,1368 682,1369 273,1370 703.399,1371 340.247,1372 742.419,1373 1073.64,1374 697,1375 8.328} {0 CHEMBL117224,1 1.553,2 11.867,3 4.041,4 16.333,5 117.205,6 7.177,7 0.375,8 4.159,9 4.269,10 3.821,11 3.738,12 5.155,13 3.67,14 4.744,15 4.913,16 4.08,17 4.15,18 5.937,19 4.041,20 5.074,21 5.297,22 4.081,23 4.311,24 6.009,25 4.152,26 5.135,27 5.384,28 4,29 4.249,30 6.111,31 4.093,32 4.993,33 5.218,34 3.977,35 4.182,36 6.038,37 4.052,38 5.004,39 5.25,40 3.965,41 4.182,42 5.977,43 4.041,44 4.994,45 5.245,46 3.997,47 4.165,48 5.946,49 4.025,50 4.98,51 5.215,52 3.951,53 4.127,54 6.008,55 3.989,56 0.093,57 0.851,58 16.516,59 6.419,60 19.313,61 8.109,62 0.403,63 1.398,64 28.142,65 11.233,66 82.982,67 14.534,68 0.344,69 1.79,70 43.498,71 15.575,72 75.515,73 19.874,74 0.553,75 1.786,76 47.126,77 15.264,78 104.756,79 19.775,80 0.391,81 1.6,82 37.148,83 13.011,84 82.125,85 17.184,86 0.334,87 1.609,88 37.749,89 13.498,90 68.155,91 18.102,92 0.266,93 1.595,94 36.283,95 13.207,96 56.261,97 17.964,98 0.396,99 1.565,100 39.751,101 13.063,102 78.583,103 16.86,104 20,105 43,106 0.252,107 0.549,108 0.739,109 0.835,110 0.863,111 0.868,112 3.44,113 1.142,114 -3.64,115 -3.61,116 -3.44,118 38.3,120 9,124 1,126 1,140 5,141 4,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 4,194 17,195 1,198 8,203 5,206 13,207 2,210 8,215 5,218 12,219 2,222 8,227 5,229 10,230 3,234 10,239 5,242 11,243 1,247 8,252 2,253 1,255 10,256 1,259 5,260 1,262 2,263 1,264 2,267 12,268 1,270 1712,271 19.955,272 19.955,273 19.955,274 19.955,275 19.955,276 17.985,277 18.751,278 12.173,279 20.195,280 15.862,281 15.862,282 15.862,283 15.862,284 15.862,285 12.754,286 20.657,287 5.871,288 16.255,289 4.354,290 2.531,291 1.364,292 0.771,293 0.6,294 0.567,295 4.122,299 1,300 1,301 747,302 4.183,306 337.568,313 1.693,314 39.287,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 65,326 356,327 4.791,328 4.683,329 7.292,330 4.289,331 3.372,332 4.555,333 2.341,334 12.402,335 3.062,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.507,349 2.514,350 3.435,352 7.187,353 2.495,354 3.569,355 2.75,356 5.042,357 3.266,358 2.263,359 2.757,361 6.11,362 2.252,363 3.352,364 2.404,365 4.923,366 3.065,367 2.07,368 2.601,370 5.599,371 2.056,372 3.297,373 2.157,374 4.855,375 3,376 2,377 2.535,379 5.371,380 1.996,381 3.129,382 2.055,383 4.586,384 2.921,385 1.925,386 2.135,388 4.972,389 1.911,390 2.849,391 1.55,392 3.713,393 2.37,394 1.403,395 2,397 3.026,398 1.355,399 2.5,400 1.473,401 3.588,402 2.255,403 1.282,404 1.5,406 2.87,407 1.242,408 2.318,409 1.127,410 3.389,411 2.009,412 1.03,413 1.313,415 2.344,416 1.007,417 2.197,418 1.044,419 3.247,420 2,421 1,422 1.138,424 2.136,425 1,426 2,427 1,428 3.247,429 1.956,430 1,431 1,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.422,446 2.914,447 0.991,453 1.135,454 0.266,455 2.862,456 0.893,457 -0.082,458 -0.094,460 -0.214,461 -0.08,462 14.467,463 0.482,464 0.751,465 0.025,466 34.25,467 1.142,468 16.5,469 0.55,470 17.75,471 0.592,472 29.64,473 0.988,474 34.133,475 0.569,476 25.566,477 0.852,478 6,479 0.2,480 8.42,481 0.281,482 0.092,483 0.058,484 0.207,487 0.584,488 1.288,489 0.893,490 1.25,491 0.655,492 1.053,493 0.451,494 1.161,495 1.008,496 1.157,497 0.423,498 1.133,499 0.901,500 1.136,501 1.233,502 1.211,503 0.899,504 1.124,505 1.19,506 0.937,507 1.174,508 0.999,509 1.201,510 0.95,511 1.136,512 1.036,513 1.027,514 0.993,515 1.136,516 1.038,517 0.874,518 0.992,519 0.9,520 0.95,521 0.82,522 0.962,523 0.76,524 1.005,525 0.761,526 0.911,527 0.742,528 0.942,529 1.149,530 1.05,531 1.168,532 1.086,533 1.078,534 1.004,535 7,536 0.24,537 2.444,538 1.938,539 1.093,540 0.799,541 0.649,542 0.431,543 0.337,544 0.274,545 11982,546 32181,547 2.024,548 50,549 10,550 8,552 2,553 2,554 2,555 6,558 1.732,559 1.905,560 3.534,561 0.21,563 1,567 93.165,568 1.553,569 3.376,570 4.543,571 5.136,572 5.307,573 5.34,574 2.899,575 4.215,576 4.877,577 3.717,578 1616.95,579 8.527,580 23669.9,582 1,585 354.413,586 1.433,587 4.835,588 0.219,589 0.008,590 0.057,591 0.047,592 0.029,593 0.021,594 0.017,595 0.011,596 0.009,597 0.008,598 0.426,599 0.33,600 1,601 1.042,602 156.001,603 0.057,604 -0.038,605 0.186,606 -0.007,607 -0.078,608 0.047,609 0.278,610 -0.022,611 -0.022,612 -0.058,613 0.27,614 -0.089,615 -0.082,616 -0.1,617 -0.13,618 -0.104,619 -0.074,620 -0.098,621 -0.144,622 0.04,623 -0.086,624 0.025,625 -0.12,626 0.029,627 -0.136,628 -0.033,629 -0.089,630 -0.027,631 -0.095,632 -0.058,633 -0.044,634 -0.015,635 0.025,636 0.017,637 -0.006,638 0.034,639 0.012,640 -0.033,641 0.119,642 0.027,643 0.002,644 0.05,645 -0.113,646 -0.041,647 -0.08,648 -0.05,649 -0.086,650 -0.021,651 4.196,652 5.545,653 0.6,654 32.667,655 0.999,656 1.126,657 2.412,658 5.819,659 0.652,660 3.497,661 3.784,662 3.932,663 4.127,664 4.304,665 4.29,666 4.394,667 4.466,668 4.543,669 4.595,670 7.297,671 0.608,672 430.62,673 3.497,674 5.017,675 5.82,676 6.673,677 7.495,678 8.353,679 9.183,680 10.044,681 10.879,682 11.741,683 3.3,685 1,693 1,699 7,700 1,704 4,706 12,724 60,726 15,727 1,728 32,730 62,731 23,733 11,734 3,735 3,739 3,740 3,748 6,751 10,753 12,754 11,756 3,760 1,761 3,765 1,769 1,772 30,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,840 30,844 1,845 1,846 10,847 1,850 1,862 6.7,864 1,865 3,869 15.75,870 10.233,871 6.625,872 3.85,874 2.192,875 1.306,876 0.943,877 8.151,878 9.359,879 3.738,880 4.277,881 4.61,882 5.059,883 5.514,884 5.606,885 5.903,886 6.267,887 6.577,888 6.835,889 0.875,890 41,891 11.38,893 5.013,894 7.903,895 21.65,897 18.255,899 2.403,900 72.083,903 1,904 329.591,905 109.852,906 33.191,908 112.141,910 5.807,911 104.045,912 441.732,913 33.191,915 24.916,916 69.594,917 153.379,918 30.837,920 306.049,922 329.591,923 137.235,924 112.141,925 5.807,927 258.964,928 182.768,931 59.416,932 61.033,933 22.593,935 329.591,936 145.332,937 109.852,939 5.807,940 329.591,941 38.569,942 65.476,943 16.405,944 128.927,945 329.591,946 145.332,947 109.852,949 0.572,950 0.305,951 0.157,952 0.088,953 18,954 8,955 0.161,956 10,958 1,959 4.194,960 248.323,962 18,963 139.207,967 1,968 22.616,969 10.812,970 7.299,972 145.332,973 13.556,974 4.152,978 4.139,980 59.088,981 584.775,982 41,986 -3.28,987 36.071,991 -0.825,994 59.96,995 67.567,996 0.263,997 0.572,998 0.769,999 0.869,1000 0.898,1001 0.904,1002 4.963,1003 1.403,1004 5.808,1005 4.972,1006 4.466,1007 4.963,1008 2.35,1009 6.581,1010 4.416,1011 6.158,1012 1.282,1013 7.347,1014 3.026,1015 4.111,1016 4.977,1017 2.243,1018 7.695,1019 3.981,1020 7.478,1021 1.03,1022 9.004,1023 2.87,1024 6.066,1025 7.165,1026 3.64,1027 10.683,1028 5.932,1029 8.84,1030 1,1031 10.742,1032 2.344,1033 6.538,1034 8.003,1035 4.112,1036 12.713,1037 6.278,1038 10.243,1039 1,1040 12.539,1041 2.136,1042 8.005,1043 9.748,1044 5.203,1045 15.332,1046 7.734,1047 11.675,1048 0.555,1049 14.379,1050 2.136,1051 8.87,1052 10.941,1053 5.889,1054 17.692,1055 8.453,1056 13.13,1058 16.254,1059 1.251,1060 10.153,1061 12.533,1062 6.849,1063 20.227,1064 9.7,1065 3.372,1066 -0.082,1067 18.155,1069 11.204,1070 13.888,1071 7.625,1072 22.693,1073 10.609,1074 2.856,1075 12.402,1076 20.077,1077 -0.214,1078 12.423,1079 15.422,1080 8.526,1081 25.212,1082 11.765,1083 2.514,1084 8.482,1085 22.014,1086 4.555,1087 13.558,1088 16.854,1089 9.342,1090 27.712,1091 12.77,1092 2.263,1093 7.187,1094 23.963,1095 3.858,1096 14.76,1097 18.367,1098 10.216,1099 30.228,1100 13.888,1101 2.07,1102 6.11,1103 25.922,1104 3.435,1105 15.933,1106 19.837,1107 11.051,1108 32.74,1109 14.941,1110 2,1111 5.599,1112 27.887,1113 2.757,1114 17.133,1115 21.344,1116 11.912,1117 35.256,1118 16.045,1119 1.925,1120 5.371,1121 29.857,1122 2.601,1123 18.325,1124 22.833,1125 12.755,1126 37.772,1127 17.122,1128 11714,1129 19344,1130 21.148,1131 39.137,1132 46.495,1133 47.938,1134 47.172,1135 46.613,1136 46.543,1137 58.929,1138 6.042,1139 127.775,1140 45.469,1141 5.791,1142 6.683,1143 7.094,1144 5.326,1145 5.372,1146 7.555,1147 3.925,1148 19.546,1149 5.062,1150 14.584,1151 1.453,1152 1.498,1153 1.474,1154 1.457,1155 1.454,1156 1.842,1157 0.189,1158 3.993,1159 1.421,1160 4.075,1161 4.081,1162 4.729,1163 4.036,1164 7.716,1165 3.971,1166 3.984,1167 3.998,1168 3.945,1169 3.939,1170 7.474,1171 3.888,1172 3.827,1173 3.868,1174 3.76,1175 3.734,1176 6.999,1177 3.735,1178 3.673,1179 3.71,1180 3.596,1181 3.547,1182 6.351,1183 3.499,1184 3.58,1185 3.602,1186 3.495,1187 3.412,1188 4.904,1189 3.41,1190 3.356,1191 3.401,1192 3.239,1193 3.225,1194 4.685,1195 3.203,1196 3.155,1197 3.206,1198 3.039,1199 2.989,1200 4.227,1201 2.992,1202 3.111,1203 3.199,1204 2.866,1205 2.941,1206 4.073,1207 2.91,1208 0.15,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.791,1214 0.142,1215 4.683,1216 0.073,1217 7.292,1218 0.388,1219 4.289,1220 0.096,1221 3.372,1222 4.555,1223 2.341,1224 12.402,1225 3.062,1226 1.996,1227 1.973,1228 2.107,1229 2.08,1230 1.523,1231 2.114,1232 1.934,1233 1.923,1234 2.081,1235 2.045,1236 1.338,1237 2.074,1238 1.813,1239 1.777,1240 1.944,1241 1.935,1242 1.109,1243 1.942,1244 1.603,1245 1.57,1246 1.8,1247 1.799,1248 1.095,1249 1.825,1250 1.508,1251 1.484,1252 1.657,1253 1.702,1254 0.941,1255 1.713,1256 1.33,1257 1.289,1258 1.513,1259 1.496,1260 0.825,1261 1.541,1262 1.153,1263 1.076,1264 1.466,1265 1.376,1266 0.801,1267 1.429,1268 1.123,1269 1.064,1270 1.38,1271 1.336,1272 0.545,1273 1.345,1274 4.174,1276 5.468,1278 6.944,1280 8.502,1282 10.104,1289 9.018,1290 6.736,1291 2.784,1294 -0.269,1300 36.464,1301 93.165,1302 202.549,1303 272.565,1304 308.149,1305 318.413,1306 320.413,1307 83.11,1308 7.166,1309 96.36,1310 104.74,1311 18,1312 12.296,1313 4,1314 3.322,1315 55.107,1316 128,1317 126,1318 0.2,1319 229.427,1320 404.77,1321 551.561,1322 12415,1324 21.399,1325 0.713,1326 0.601,1327 21.649,1328 18.034,1329 14.421,1330 0.451,1331 0.381,1332 10.674,1333 13.233,1334 10.321,1335 8.54,1336 15.242,1337 12.177,1338 13.232,1339 0.308,1340 0.235,1341 14.555,1342 10.084,1343 9.688,1344 0.194,1345 0.151,1346 10.795,1347 7.534,1348 7.765,1349 0.127,1350 0.092,1351 8.638,1352 5.627,1353 6.124,1354 0.084,1355 0.056,1356 6.82,1357 4.114,1358 0.318,1359 97.817,1360 0.217,1361 28.677,1362 0.54,1363 150,1364 434.195,1365 198.391,1366 439.193,1367 574.58,1368 402,1369 168,1370 372.976,1371 221.215,1372 413.048,1373 587.52,1374 386,1375 7.367} {0 CHEMBL117233,1 1.489,2 11.375,3 3.458,4 11.958,5 92.437,6 7.096,7 0.48,8 3.893,9 4.004,10 3.409,11 3.413,12 5.015,13 3.383,14 4.4,15 4.573,16 3.635,17 3.72,18 5.468,19 3.658,20 4.615,21 4.844,22 3.648,23 3.771,24 5.592,25 3.695,26 4.532,27 4.74,28 3.639,29 3.684,30 5.624,31 3.636,32 4.533,33 4.721,34 3.636,35 3.704,36 5.632,37 3.657,38 4.566,39 4.779,40 3.55,41 3.763,42 5.592,43 3.658,44 4.576,45 4.837,46 3.353,47 3.745,48 5.429,49 3.578,50 4.514,51 4.798,52 3.161,53 3.611,54 5.266,55 3.427,56 0.054,57 0.613,58 9.754,59 4.445,60 8.657,61 5.773,62 0.232,63 0.932,64 17.821,65 6.853,66 28.319,67 9.209,68 0.286,69 1.08,70 23.576,71 7.922,72 37.76,73 11.02,74 0.298,75 1.011,76 21.566,77 6.83,78 43.547,79 9.338,80 0.388,81 0.989,82 21.657,83 6.898,84 48.002,85 9.116,86 0.454,87 1.048,88 22.137,89 7.753,90 47.359,91 10.78,92 0.264,93 1.056,94 22.34,95 8.47,96 35.578,97 12.294,98 0.171,99 0.951,100 21.429,101 7.98,102 26.823,103 11.654,104 14,105 30,106 0.258,107 0.563,108 0.753,109 0.849,110 0.87,111 0.87,112 3.227,113 0.975,114 -4.14,115 -4.09,116 -3.86,118 41.3,119 1,120 3,124 2,140 7,141 2,143 2,153 1,154 1,162 1,168 10,171 1,172 8,180 9,186 10,194 6,197 1,198 12,206 6,209 1,210 7,218 8,221 2,222 3,229 9,233 2,234 2,242 9,247 2,255 7,259 6,267 4,270 998,271 16.648,272 16.648,273 16.648,274 16.648,275 16.648,276 14.833,277 10.291,278 10.759,279 17.018,280 12.363,281 12.363,282 12.363,283 12.363,284 12.363,285 9.722,286 7.244,287 5.087,288 12.809,289 4.034,290 2.267,291 1.172,292 0.614,293 0.495,294 0.495,295 3.898,298 1,299 1,300 1,301 563,302 3.873,306 186.128,313 1.646,314 20.029,315 1,316 1,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 52,326 273,327 4.369,328 3.999,329 6.498,330 3.992,331 3.006,332 3.943,333 2.443,334 10.173,335 2.962,336 3.736,337 3.681,338 5.247,339 3.35,340 2.373,341 3.298,342 2.373,343 6.4,344 2.297,345 3.655,346 2.937,347 5.029,348 3.27,349 2.278,350 2.825,351 0.286,352 6.066,353 2.259,354 3.28,355 2.278,356 4.224,357 2.791,358 1.839,359 2.58,361 4.071,362 1.747,363 2.798,364 1.835,365 3.766,366 2.623,367 1.656,368 1.908,370 3.427,371 1.594,372 2.781,373 1.793,374 3.555,375 2.301,376 1.317,377 1.821,379 2.88,380 1.294,381 2.518,382 1.658,383 3.452,384 2.205,385 1.259,386 1.5,388 2.63,389 1.183,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1.154,401 3.247,402 1.958,403 1,404 1.467,406 2.136,407 0.954,408 2.147,409 1,410 3.182,411 1.95,412 1,413 1.105,415 1.878,416 0.938,417 1.905,418 1,419 2.839,420 1.602,421 0.642,422 0.771,424 1.313,425 0.609,426 1.233,427 0.802,428 2.393,429 1.092,430 0.093,431 0.101,433 0.197,434 0.092,435 0.775,436 0.401,437 2.198,438 0.442,439 -0.495,440 -0.521,442 -0.829,443 -0.461,444 0.719,445 0.006,446 1.898,447 0.366,448 -0.645,449 -0.787,451 -1.284,452 -0.633,453 0.651,454 -0.608,455 1.555,456 0.276,457 -0.705,458 -0.952,460 -1.547,461 -0.689,462 11.3,463 0.471,464 0.277,465 0.012,466 29.5,467 1.229,468 15,469 0.625,470 14.5,471 0.604,472 17.888,473 0.745,474 26.5,475 0.576,476 20.555,477 0.856,478 6.06,479 0.253,480 5.749,481 0.24,482 0.074,484 0.177,487 0.651,488 1.266,489 0.817,490 1.195,491 0.568,492 1.062,493 0.938,494 1.178,495 0.987,496 1.111,497 0.681,498 1.067,499 1.227,500 0.998,501 0.94,502 0.881,503 1.069,504 0.866,505 1.475,506 1.022,507 1.063,508 0.942,509 1.486,510 0.927,511 1.756,512 0.987,513 1.196,514 0.911,515 1.644,516 0.955,517 0.954,518 1.022,519 1.131,520 1.024,521 0.868,522 1.09,523 0.439,524 1.009,525 0.985,526 1.086,527 0.405,528 1.12,529 0.511,530 0.975,531 0.908,532 1.036,533 0.462,534 1.037,535 2.5,536 0.107,537 1.778,538 1.125,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 6573,546 18133,547 2.02,548 47.8,549 2,550 11,552 2,554 2,555 5,558 1.667,559 1.946,560 3.428,561 -0.782,563 1,567 68.511,568 1.489,569 3.256,570 4.351,571 4.909,572 5.029,573 5.029,574 2.809,575 3.486,576 4.552,577 3.637,578 1003.73,579 7.848,580 12674.8,582 1,584 1,585 254.084,586 1.041,587 4.543,588 0.1,589 0.006,590 0.059,591 0.038,592 0.016,593 0.009,594 0.009,595 0.006,596 0.004,597 0.008,598 0.255,599 0.33,600 1,601 2.209,602 117.107,603 0.114,604 -0.092,605 0.055,606 -0.076,607 0.039,608 -0.033,609 0.05,610 -0.113,611 -0.045,612 -0.077,613 0.064,614 -0.077,615 -0.123,616 -0.014,617 0.058,618 0.085,619 -0.092,620 0.097,621 -0.165,622 0.017,623 -0.045,624 -0.004,625 -0.133,626 -0.003,627 -0.241,628 0.037,629 -0.163,630 0.041,631 -0.243,632 -0.037,633 0.079,634 -0.005,635 -0.159,636 -0.041,637 -0.007,638 -0.122,639 0.117,640 -0.033,641 -0.058,642 -0.088,643 0.083,644 -0.103,645 0.041,646 -0.056,647 0.033,648 -0.048,649 0.03,650 -0.014,651 1.832,652 4.256,653 0.5,654 23.75,655 1,656 1.126,657 2.912,658 8.478,659 0.652,660 3.258,661 3.434,662 3.611,663 3.784,664 3.912,665 3.807,666 3.871,667 3.85,668 3.761,669 3.689,670 6.79,671 0.619,672 326.43,673 3.258,674 4.71,675 5.493,676 6.301,677 7.107,678 7.929,679 8.748,680 9.577,681 10.404,682 11.238,683 4.3,692 1,693 1,699 9,700 1,704 2,706 12,709 1,724 46,726 14,727 1,728 25,730 47,731 19,733 11,734 1,735 5,736 1,739 2,740 2,745 1,751 3,753 13,754 6,756 2,761 1,764 1,765 2,768 1,769 1,772 22,773 5,775 5,779 2,784 1,785 3,795 1,802 2,819 1,832 2,836 1,840 24,846 5,848 2,862 6.5,865 1,867 2,869 12.333,870 8.4,871 5.722,872 2.967,874 2.016,875 1.321,876 0.921,877 7.819,878 8.3,879 3.526,880 3.97,881 4.449,882 4.936,883 5.407,884 5.402,885 5.775,886 5.989,887 6.104,888 6.208,889 1,890 30,891 8.831,893 3.477,894 7.757,895 16.854,897 12.753,899 2.257,900 54.167,903 1,904 258.964,905 126.361,906 36.185,908 47.364,911 126.361,912 306.328,913 36.185,914 8.825,915 16.788,916 66.334,917 75.421,918 66.085,920 235.422,922 258.964,923 162.547,924 47.364,927 200.109,928 106.219,931 63.108,932 82.653,933 16.786,935 258.964,936 83.549,937 126.361,940 258.964,941 33.108,942 93.254,944 83.549,945 258.964,946 83.549,947 126.361,949 0.536,950 0.3,951 0.166,952 0.086,953 10,954 4,955 0.213,956 10,958 1,959 3.765,960 169.326,962 12,963 103.284,968 17.995,969 10.429,970 6.359,972 83.549,973 17.141,974 4.138,978 1.868,981 468.875,982 33,987 11.256,990 4.278,991 0.579,994 46.022,995 51.777,996 0.27,997 0.59,998 0.788,999 0.889,1000 0.91,1001 0.91,1002 4.673,1003 1,1004 5.38,1005 2.63,1006 4.111,1007 4.654,1008 3.105,1009 6.047,1010 4.054,1011 5.798,1012 1,1013 6.836,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.72,1019 3.185,1020 7.032,1021 1,1022 8.408,1023 2.136,1024 5.533,1025 6.669,1026 4.701,1027 9.854,1028 5.437,1029 8.309,1030 0.642,1031 10.058,1032 1.878,1033 5.602,1034 6.882,1035 4.269,1036 11.548,1037 5.527,1038 9.625,1039 0.093,1040 11.766,1041 1.313,1042 7.261,1043 8.984,1044 6.395,1045 14.143,1046 7.139,1047 10.97,1048 -0.495,1049 13.516,1050 0.197,1051 7.832,1052 9.671,1053 6.158,1054 16.224,1055 7.722,1056 12.34,1057 -0.645,1058 15.295,1059 -0.829,1060 9.178,1061 11.46,1062 8.12,1063 18.645,1064 9.035,1065 3.006,1066 -0.705,1067 17.096,1068 -1.284,1069 10.015,1070 12.419,1071 7.992,1072 20.872,1073 9.873,1074 2.373,1075 10.173,1076 18.913,1077 -1.547,1078 11.217,1079 14.032,1080 9.86,1081 23.232,1082 11.051,1083 2.278,1084 6.4,1085 20.743,1086 3.943,1087 12.188,1088 15.155,1089 9.802,1090 25.514,1091 12.017,1092 1.839,1093 6.066,1094 22.582,1095 3.298,1096 13.327,1097 16.666,1098 11.606,1099 27.851,1100 13.137,1101 1.656,1102 4.071,1103 24.427,1104 2.825,1105 14.364,1106 17.888,1107 11.599,1108 30.155,1109 14.164,1110 1.317,1111 3.427,1112 26.278,1113 2.58,1114 15.477,1115 19.339,1116 13.355,1117 32.482,1118 15.261,1119 1.259,1120 2.88,1121 28.134,1122 1.908,1123 16.547,1124 20.621,1125 13.391,1126 34.795,1127 16.318,1128 6653,1129 11152,1130 16.871,1131 29.989,1132 35.335,1133 37.56,1134 35.769,1135 34.938,1136 34.927,1137 45.639,1138 10.204,1139 86.614,1140 33.857,1141 5.289,1142 5.999,1143 6.326,1144 5.028,1145 5.006,1146 6.943,1147 4.816,1148 16.907,1149 4.962,1150 9.419,1151 1.413,1152 1.502,1153 1.431,1154 1.398,1155 1.397,1156 1.826,1157 0.408,1158 3.465,1159 1.354,1160 3.976,1161 4.006,1162 3.925,1163 3.903,1164 7.432,1165 3.903,1166 3.788,1167 3.828,1168 3.716,1169 3.7,1170 5.009,1171 3.699,1172 3.747,1173 3.789,1174 3.629,1175 3.579,1176 4.802,1177 3.578,1178 3.525,1179 3.578,1180 3.386,1181 3.293,1182 4.676,1183 3.298,1184 3.329,1185 3.386,1186 3.189,1187 3.109,1188 4.467,1189 3.122,1190 3.164,1191 3.214,1192 3.036,1193 3.009,1194 4.031,1195 3.008,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.828,1201 2.715,1202 2.837,1203 2.886,1204 2.672,1205 2.626,1206 3.757,1207 2.614,1208 0.175,1209 0.16,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.999,1216 0.098,1217 6.498,1218 0.407,1219 3.992,1220 0.118,1221 3.006,1222 3.943,1223 2.443,1224 10.173,1225 2.962,1226 1.942,1227 1.916,1228 2.043,1229 2.035,1230 1.279,1231 2.037,1232 1.779,1233 1.743,1234 1.952,1235 1.907,1236 1.12,1237 1.92,1238 1.711,1239 1.662,1240 1.905,1241 1.893,1242 0.94,1243 1.901,1244 1.483,1245 1.42,1246 1.8,1247 1.741,1248 0.928,1249 1.758,1250 1.269,1251 1.215,1252 1.54,1253 1.539,1254 0.77,1255 1.536,1256 1.128,1257 1.082,1258 1.287,1259 1.319,1260 0.362,1261 1.307,1262 0.886,1263 0.821,1264 1.181,1265 1.082,1266 0.218,1267 1.107,1268 0.772,1269 0.707,1270 1.086,1271 1.062,1272 0.218,1273 1.081,1274 3.932,1276 5.142,1278 6.55,1280 8.052,1282 9.606,1284 1.805,1290 2.759,1292 10.343,1300 28.455,1301 68.511,1302 149.797,1303 200.168,1304 225.819,1305 231.329,1306 231.329,1307 44.914,1308 6.284,1309 60.78,1310 60.78,1311 12,1312 11.81,1313 3.907,1314 3.17,1315 48.577,1316 93,1317 116,1318 0.24,1319 180.396,1320 317.99,1321 431.927,1322 3717,1324 17.037,1325 0.71,1326 0.577,1327 17.037,1328 13.851,1329 11.809,1330 0.472,1331 0.325,1332 8.014,1333 11.307,1334 7.835,1335 6.557,1336 11.809,1337 8.124,1338 9.345,1339 0.312,1340 0.171,1341 9.345,1342 5.143,1343 7.277,1344 0.202,1345 0.092,1346 7.277,1347 3.31,1348 5.844,1349 0.136,1350 0.05,1351 5.844,1352 2.15,1353 4.363,1354 0.089,1355 0.027,1356 4.363,1357 1.326,1358 0.387,1359 74.293,1360 0.243,1361 24.079,1362 0.631,1363 110,1364 366.497,1365 121.854,1366 344.694,1367 461.43,1368 324,1369 121,1370 329.408,1371 131.972,1372 326.989,1373 465.46,1374 308,1375 9} {0 CHEMBL117294,1 1.69,2 12.531,3 4.96,4 24.602,5 126.068,6 8.299,7 0.529,8 4.121,9 4.212,10 3.898,11 3.741,12 5.23,13 3.685,14 4.653,15 4.802,16 4.209,17 4.128,18 5.961,19 4.046,20 4.914,21 5.078,22 4.232,23 4.297,24 6.047,25 4.172,26 5.066,27 5.283,28 4.099,29 4.255,30 6.18,31 4.129,32 4.944,33 5.145,34 4.166,35 4.241,36 6.016,37 4.12,38 5.023,39 5.245,40 4.205,41 4.269,42 6.124,43 4.14,44 5.03,45 5.275,46 4.146,47 4.24,48 6.019,49 4.107,50 4.965,51 5.163,52 4.064,53 4.192,54 6.079,55 4.061,56 0.105,57 0.779,58 12.86,59 5.76,60 21.626,61 6.679,62 0.456,63 1.261,64 21.706,65 9.439,66 72.859,67 11.554,68 0.337,69 1.58,70 37.6,71 14.097,72 63.508,73 16.069,74 0.701,75 1.714,76 44.259,77 14.972,78 129.312,79 17.703,80 0.396,81 1.58,82 34.413,83 13.111,84 72.607,85 16.265,86 0.544,87 1.681,88 39.436,89 14.6,90 88.168,91 18.631,92 0.415,93 1.689,94 38.227,95 14.468,96 74.742,97 18.847,98 0.558,99 1.571,100 42.726,101 13.832,102 98.151,103 16.065,104 40,105 47,106 0.275,107 0.573,108 0.756,109 0.859,110 0.872,111 0.878,112 3.502,113 1.059,114 -4.38,115 -4.31,116 -4.07,118 42.1,120 4,123 1,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 3,172 4,175 1,177 1,180 20,181 1,186 10,191 1,194 19,195 1,198 12,203 1,206 13,207 2,210 8,215 2,218 12,219 2,222 14,227 2,229 10,230 3,234 12,239 3,242 10,243 1,247 9,248 1,252 1,255 10,256 1,258 2,259 6,260 1,262 1,264 1,267 11,268 1,270 1986,271 20.927,272 20.927,273 20.927,274 20.927,275 20.927,276 18.256,277 23.485,278 12.442,279 21.329,280 16.781,281 16.781,282 16.781,283 16.781,284 16.781,285 12.691,286 26.918,287 5.974,288 17.49,289 4.143,290 2.306,291 1.185,292 0.553,293 0.469,294 0.434,295 4.18,297 1,299 1,300 1,301 838,302 4.472,306 364.605,313 1.781,314 43.363,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 69.333,326 401,327 4.924,328 4.723,329 7.64,330 4.417,331 3.496,332 4.755,333 2.341,334 13.429,335 3.194,336 4.222,337 3.6,338 5.834,339 3.856,340 2.856,341 3.858,342 0.68,343 8.484,344 2.854,345 3.889,346 3.084,347 5.494,348 3.508,349 2.516,350 3.435,351 0.4,352 7.192,353 2.496,354 3.851,355 2.904,356 5.403,357 3.36,358 2.437,359 3.408,361 6.577,362 2.262,363 3.569,364 2.757,365 5.044,366 3.263,367 2.263,368 2.757,370 6.119,371 2.208,372 3.363,373 2.499,374 4.973,375 3.043,376 2.063,377 2.607,379 5.632,380 2.017,381 3.297,382 2.28,383 4.857,384 2.921,385 1.925,386 2.535,388 5.394,389 1.911,390 3.149,391 2.135,392 4.586,393 2.761,394 1.841,395 2.355,397 4.971,398 1.625,399 2.85,400 1.505,401 4.097,402 2.369,403 1.402,404 2.001,406 3.501,407 1.353,408 2.671,409 1.47,410 3.587,411 2.252,412 1.297,413 1.642,415 3.021,416 1.213,417 2.5,418 1.062,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.247,429 1.956,430 1,431 1.5,433 2.136,434 0.954,435 1.781,436 1,437 3.18,438 1.568,439 0.565,440 0.642,442 1.271,443 0.561,444 1.573,445 0.674,446 3,447 1.394,448 0.417,449 0.465,451 0.981,452 0.406,453 1.292,454 0.467,455 2.867,456 0.991,462 15.681,463 0.49,464 0.937,465 0.029,466 41.75,467 1.305,468 22.5,469 0.703,470 19.25,471 0.602,472 28.033,473 0.876,474 34.719,475 0.609,476 34.344,477 1.073,478 8.169,479 0.255,480 7.067,481 0.221,482 0.162,483 0.053,484 0.249,487 0.564,488 1.274,489 0.723,490 1.138,491 0.67,492 0.942,493 0.53,494 0.966,495 0.739,496 0.856,497 0.473,498 0.909,499 0.918,500 1.257,501 1.299,502 1.364,503 0.86,504 1.206,505 1.261,506 0.925,507 1.047,508 0.947,509 1.332,510 0.976,511 0.831,512 1.08,513 0.683,514 0.935,515 0.89,516 1.058,517 0.569,518 1.057,519 0.752,520 1.025,521 0.594,522 1.029,523 0.682,524 0.942,525 0.627,526 0.817,527 0.68,528 0.877,529 1.234,530 1.103,531 1.366,532 1.215,533 1.138,534 1.158,535 8.5,536 0.273,537 3.556,538 2.25,539 1.587,540 0.993,541 0.874,542 0.521,543 0.403,544 0.394,545 13832,546 46226,547 1.986,548 43.9,549 4,550 14,552 2,553 1,554 2,555 2,558 1.748,559 1.837,560 3.59,561 -0.341,567 96.339,568 1.69,569 3.527,570 4.648,571 5.28,572 5.364,573 5.399,574 3.016,575 4.351,576 4.97,577 3.772,578 1870.77,579 8.716,580 28316.9,585 332.475,586 1.594,587 4.91,588 0.25,589 0.007,590 0.076,591 0.048,592 0.038,593 0.023,594 0.02,595 0.012,596 0.01,597 0.011,598 0.495,599 0.17,600 0.88,601 1.078,602 169.372,603 0.052,604 -0.122,605 0.132,606 -0.053,607 -0.105,608 0.019,609 0.236,610 0.143,611 0.076,612 0.111,613 0.242,614 0.034,615 -0.104,616 -0.201,617 -0.222,618 -0.234,619 -0.041,620 -0.204,621 -0.199,622 0.047,623 -0.118,624 0.033,625 -0.165,626 0.001,627 -0.058,628 -0.089,629 0.041,630 -0.023,631 -0.062,632 -0.084,633 0.149,634 -0.092,635 0.093,636 -0.074,637 0.106,638 -0.021,639 0.034,640 0.013,641 0.171,642 0.101,643 0.025,644 0.132,645 -0.199,646 -0.097,647 -0.267,648 -0.179,649 -0.154,650 -0.177,651 4.544,652 5.828,653 0.563,654 35.191,655 1.009,656 1.117,657 3.149,658 9.918,659 0.692,660 3.555,661 3.871,662 4.043,663 4.205,664 4.407,665 4.443,666 4.511,667 4.554,668 4.635,669 4.691,670 7.497,671 0.653,672 473.03,673 3.555,674 5.094,675 5.911,676 6.772,677 7.61,678 8.476,679 9.324,680 10.193,681 11.045,682 11.917,683 3.5,686 1,693 1,699 11,700 1,704 6,706 18,723 1,724 57,726 21,727 2,728 34,730 59,731 24,733 17,734 5,735 7,739 3,740 3,741 1,751 4,753 18,754 6,756 3,760 1,761 3,765 1,772 25,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,836 1,837 1,840 32,844 1,845 1,846 5,851 1,861 1,862 7,864 1,865 3,869 17.417,870 10.326,871 7,872 3.261,874 2.892,875 1.396,876 0.955,877 8.164,878 10.187,879 3.85,880 4.449,881 4.888,882 5.351,883 5.851,884 5.977,885 6.185,886 6.4,887 6.707,888 6.984,889 1,890 47,891 12.088,893 5.335,894 8.006,895 22.354,897 18.29,899 2.506,900 80.194,904 282.506,905 148.532,906 18.304,907 39.149,908 112.141,910 5.807,911 142.725,912 433.796,913 18.304,914 8.396,915 12.244,916 91.094,917 153.379,918 37.407,920 258.964,921 39.149,922 282.506,923 161.029,924 112.141,925 44.956,927 258.964,928 135.683,931 31.857,932 112.386,933 61.742,935 282.506,936 130.445,937 187.681,939 5.807,940 282.506,941 30.947,942 113.296,944 168.075,945 282.506,946 130.445,947 187.681,949 0.584,950 0.318,951 0.153,952 0.087,953 20,954 10,955 0.169,956 10,958 1,959 4.263,960 275.941,962 18,963 154,967 1,968 24.091,969 10.844,970 6.972,972 130.445,973 19.485,974 4.147,978 4.648,980 42.683,981 600.633,982 46,986 -3.627,987 36.68,991 -0.849,994 57.516,995 63.681,996 0.29,997 0.605,998 0.797,999 0.905,1000 0.92,1001 0.926,1002 5.078,1003 1.841,1004 5.922,1005 5.394,1006 4.554,1007 5.136,1008 2.38,1009 6.727,1010 4.475,1011 6.308,1012 1.402,1013 7.492,1014 4.971,1015 4.29,1016 5.147,1017 2.243,1018 7.908,1019 4.108,1020 7.641,1021 1.297,1022 9.182,1023 3.501,1024 6.188,1025 7.39,1026 3.641,1027 10.944,1028 6.014,1029 9.016,1030 1,1031 10.954,1032 3.021,1033 6.735,1034 8.213,1035 4.112,1036 13.064,1037 6.429,1038 10.43,1039 1,1040 12.787,1041 2.275,1042 8.175,1043 10.009,1044 5.203,1045 15.761,1046 7.861,1047 11.874,1048 0.565,1049 14.668,1050 2.136,1051 9.101,1052 11.212,1053 5.889,1054 18.215,1055 8.647,1056 13.343,1057 0.417,1058 16.586,1059 1.271,1060 10.387,1061 12.846,1062 6.849,1063 20.836,1064 9.892,1065 3.496,1067 18.534,1068 0.981,1069 11.489,1070 14.232,1071 7.625,1072 23.39,1073 10.863,1074 2.856,1075 13.429,1076 20.504,1078 12.73,1079 15.808,1080 8.526,1081 25.993,1082 12.034,1083 2.516,1084 8.484,1085 22.491,1086 4.755,1087 13.912,1088 17.282,1089 9.342,1090 28.577,1091 13.095,1092 2.437,1093 7.192,1094 24.49,1095 3.858,1096 15.146,1097 18.838,1098 10.216,1099 31.176,1100 14.242,1101 2.263,1102 6.577,1103 26.499,1104 3.435,1105 16.362,1106 20.354,1107 11.051,1108 33.769,1109 15.346,1110 2.063,1111 6.119,1112 28.515,1113 3.408,1114 17.599,1115 21.905,1116 11.912,1117 36.367,1118 16.487,1119 1.925,1120 5.632,1121 30.535,1122 2.757,1123 18.832,1124 23.442,1125 12.755,1126 38.963,1127 17.613,1128 13606,1129 25057,1130 21.959,1131 39.472,1132 50.394,1133 51.868,1134 51.505,1135 50.464,1136 50.158,1137 66.926,1138 6.842,1139 141.966,1140 48.106,1141 5.829,1142 6.723,1143 7.442,1144 5.466,1145 5.496,1146 7.755,1147 3.925,1148 21.252,1149 5.194,1150 18.548,1151 1.482,1152 1.526,1153 1.515,1154 1.484,1155 1.475,1156 1.968,1157 0.201,1158 4.175,1159 1.415,1160 4.096,1161 4.088,1162 4.741,1163 4.077,1164 7.715,1165 4,1166 3.991,1167 4.003,1168 3.946,1169 3.945,1170 7.474,1171 3.926,1172 3.828,1173 3.868,1174 3.925,1175 3.735,1176 6.999,1177 3.736,1178 3.689,1179 3.716,1180 3.759,1181 3.601,1182 6.351,1183 3.55,1184 3.579,1185 3.6,1186 3.497,1187 3.412,1188 4.932,1189 3.412,1190 3.35,1191 3.373,1192 3.291,1193 3.229,1194 4.9,1195 3.2,1196 3.16,1197 3.205,1198 3.145,1199 2.999,1200 4.684,1201 2.997,1202 3.077,1203 3.146,1204 3.041,1205 2.861,1206 4.267,1207 2.848,1208 0.145,1209 0.139,1210 0.225,1211 0.13,1212 0.103,1213 4.924,1214 0.14,1215 4.723,1216 0.069,1217 7.64,1218 0.395,1219 4.417,1220 0.094,1221 3.496,1222 4.755,1223 2.341,1224 13.429,1225 3.194,1226 1.999,1227 1.985,1228 2.107,1229 2.078,1230 1.347,1231 2.099,1232 1.951,1233 1.952,1234 1.958,1235 2.016,1236 1.207,1237 2.05,1238 1.814,1239 1.777,1240 1.942,1241 1.933,1242 1.095,1243 1.939,1244 1.617,1245 1.585,1246 1.814,1247 1.8,1248 1.07,1249 1.816,1250 1.507,1251 1.481,1252 1.691,1253 1.705,1254 0.846,1255 1.708,1256 1.293,1257 1.271,1258 1.526,1259 1.453,1260 0.681,1261 1.495,1262 1.119,1263 1.08,1264 1.364,1265 1.33,1266 0.518,1267 1.35,1268 1.048,1269 0.976,1270 1.181,1271 1.29,1272 0.395,1273 1.33,1274 4.234,1276 5.549,1278 7.047,1280 8.626,1282 10.251,1284 1.55,1285 5.866,1289 9.05,1290 1.924,1295 1.32,1300 37.238,1301 96.339,1302 201.031,1303 264.926,1304 300.965,1305 305.72,1306 307.72,1307 88.571,1308 7.296,1309 87.57,1310 95.95,1311 18,1312 12.463,1313 4.459,1314 3.7,1315 60.978,1316 141,1317 150,1318 0.203,1319 238.57,1320 418.46,1321 573.87,1322 14411,1323 1.8,1324 23.14,1325 0.723,1326 0.603,1327 23.89,1328 19.311,1329 15.235,1330 0.448,1331 0.353,1332 10.232,1333 13.679,1334 9.788,1335 8.117,1336 16.313,1337 12,1338 14.273,1339 0.304,1340 0.215,1341 16.042,1342 10.101,1343 10.89,1344 0.194,1345 0.129,1346 12.556,1347 7.231,1348 8.094,1349 0.123,1350 0.071,1351 9.145,1352 4.711,1353 6.508,1354 0.08,1355 0.042,1356 7.475,1357 3.412,1358 0.321,1359 105.765,1360 0.213,1361 30.124,1362 0.549,1363 162,1364 511.71,1365 229.612,1366 546.545,1367 711.2,1368 500,1369 184,1370 448.324,1371 250.42,1372 505.818,1373 723.89,1374 471,1375 7.268} {0 CHEMBL117373,1 1.757,2 13.375,3 4.282,4 18.332,5 125.854,6 8.465,7 0.529,8 4.113,9 4.209,10 3.906,11 3.71,12 5.236,13 3.668,14 4.631,15 4.772,16 4.162,17 4.082,18 6.017,19 4.009,20 4.901,21 5.089,22 4.134,23 4.218,24 5.985,25 4.096,26 4.949,27 5.173,28 4.076,29 4.176,30 6.008,31 4.042,32 4.887,33 5.082,34 4.117,35 4.147,36 6.056,37 4.046,38 4.944,39 5.16,40 4.165,41 4.17,42 6.041,43 4.054,44 4.938,45 5.16,46 4.186,47 4.134,48 6.1,49 4.028,50 4.923,51 5.148,52 4.007,53 4.077,54 6.019,55 3.957,56 0.145,57 0.804,58 12.675,59 5.296,60 24.384,61 6.164,62 0.549,63 1.255,64 21.163,65 9.114,66 83.783,67 11.122,68 0.494,69 1.533,70 33.436,71 12.457,72 81.36,73 14.888,74 0.564,75 1.579,76 40.016,77 13.543,78 90.324,79 16.357,80 0.494,81 1.508,82 31.537,83 11.923,84 77.019,85 14.32,86 0.526,87 1.551,88 39.348,89 13.23,90 88.695,91 16.009,92 0.623,93 1.534,94 35.172,95 12.378,96 95.029,97 15.647,98 0.6,99 1.511,100 39.378,101 12.829,102 102.905,103 15.202,104 29,105 46,106 0.287,107 0.602,108 0.765,109 0.87,110 0.883,111 0.889,112 3.502,113 1.05,114 -4.63,115 -4.55,116 -4.28,118 41.1,120 4,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 5,176 1,177 4,180 20,181 1,186 3,191 4,194 19,195 1,198 8,203 6,206 13,207 2,210 10,215 8,218 10,219 2,222 8,227 7,229 8,230 3,234 12,239 8,242 8,243 1,247 8,252 5,253 1,255 7,256 1,259 5,260 1,262 2,263 1,264 4,267 9,268 1,270 2074,271 21.032,272 21.032,273 21.032,274 21.032,275 21.032,276 18.264,277 23.802,278 12.715,279 21.29,280 16.854,281 16.854,282 16.854,283 16.854,284 16.854,285 12.647,286 24.984,287 6.178,288 17.32,289 4.051,290 2.117,291 1.121,292 0.478,293 0.393,294 0.357,295 4.183,297 1,299 1,300 1,301 897,302 4.359,306 369.241,313 1.938,314 40.982,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 69.833,326 428,327 4.697,328 3.6,329 6.741,330 4.208,331 3.217,332 4.488,333 2.341,334 11.045,335 3.19,336 4.222,337 3.259,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.974,346 3.081,347 5.407,348 3.508,349 2.547,350 3.585,352 7.187,353 2.495,354 3.888,355 2.924,356 5.361,357 3.492,358 2.514,359 3.435,361 6.98,362 2.404,363 3.568,364 2.748,365 5.037,366 3.264,367 2.262,368 2.757,370 6.106,371 2.251,372 3.369,373 2.403,374 4.871,375 3.029,376 2.04,377 2.654,379 5.616,380 2.019,381 3.347,382 2.325,383 4.857,384 2.921,385 2,386 2.6,388 5.587,389 1.911,390 3.297,391 2.15,392 4.586,393 2.905,394 1.925,395 2.535,397 4.972,398 1.712,399 2.849,400 1.489,401 3.682,402 2.369,403 1.402,404 2,406 3.026,407 1.354,408 2.5,409 1.319,410 3.586,411 2.101,412 1.138,413 1.5,415 2.551,416 1.092,417 2.5,418 1.053,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.265,427 1,428 3.247,429 1.956,430 1,431 1.236,433 2.136,434 0.953,435 1.779,436 1,437 3.143,438 1.56,439 0.556,440 0.637,442 1.252,443 0.553,444 1.427,445 0.626,446 3,447 1.086,448 0.177,449 0.207,451 0.437,452 0.145,453 1.295,454 0.421,455 2.868,456 0.991,462 15.581,463 0.487,464 0.884,465 0.028,466 42.25,467 1.32,468 23,469 0.719,470 19.25,471 0.602,472 26.759,473 0.836,474 34.819,475 0.622,476 33.642,477 1.051,478 8.262,479 0.258,480 7.026,481 0.22,482 0.131,483 0.053,484 0.225,487 0.611,488 1.27,489 0.715,490 1.14,491 0.693,492 0.909,493 0.418,494 1.061,495 0.829,496 1.014,497 0.416,498 1.031,499 0.991,500 1.091,501 1.079,502 1.07,503 0.967,504 1.134,505 0.935,506 0.994,507 1.03,508 1.031,509 0.896,510 0.992,511 0.968,512 1.109,513 0.851,514 1.043,515 1.008,516 1.059,517 0.92,518 1.054,519 0.788,520 0.966,521 0.95,522 0.978,523 0.738,524 1.038,525 0.706,526 0.955,527 0.789,528 0.986,529 1.105,530 1.053,531 1.029,532 1.058,533 1.086,534 0.988,535 8.5,536 0.289,537 2.222,538 2,539 1.507,540 0.84,541 0.77,542 0.524,543 0.32,544 0.291,545 14680,546 50150,547 2.004,548 42.9,549 4,550 11,552 2,553 3,554 2,555 2,558 1.746,559 1.873,560 3.677,561 0.884,563 1,567 98.376,568 1.757,569 3.69,570 4.686,571 5.33,572 5.414,573 5.45,574 3.076,575 4.563,576 4.97,577 3.872,578 1920.27,579 8.704,580 29776.6,585 325.212,586 1.501,587 4.922,588 0.25,589 0.009,590 0.048,591 0.048,592 0.038,593 0.02,594 0.018,595 0.013,596 0.009,597 0.009,598 0.46,599 0.17,600 0.75,601 1.043,602 171.007,603 0.029,604 -0.084,605 0.132,606 -0.056,607 -0.123,608 0.04,609 0.346,610 0.053,611 -0.026,612 -0.042,613 0.31,614 -0.091,615 -0.157,616 -0.076,617 -0.157,618 -0.081,619 -0.146,620 -0.152,621 -0.095,622 -0.008,623 -0.05,624 0.001,625 -0.049,626 0.022,627 -0.081,628 -0.098,629 -0.04,630 -0.077,631 -0.042,632 -0.088,633 -0.054,634 -0.086,635 0.081,636 0.009,637 -0.042,638 0.022,639 0.114,640 -0.073,641 0.144,642 -0.035,643 0.062,644 0.003,645 -0.127,646 -0.071,647 -0.059,648 -0.036,649 -0.101,650 0.008,651 4.654,652 5.3,653 0.563,654 37.914,655 1.013,656 1.121,657 3.401,658 11.564,659 0.691,660 3.555,661 3.85,662 3.951,663 4.174,664 4.369,665 4.357,666 4.466,667 4.533,668 4.543,669 4.595,670 7.942,671 0.656,672 474.02,673 3.555,674 5.081,675 5.872,676 6.727,677 7.535,678 8.394,679 9.21,680 10.07,681 10.892,682 11.753,683 5.4,685 1,688 1,693 1,699 11,700 1,704 6,706 18,723 1,724 56,726 21,727 2,728 34,730 58,731 23,733 17,734 5,735 7,739 3,740 3,741 1,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,772 24,773 7,774 3,775 9,776 2,779 3,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 5,847 2,861 1,862 7.1,864 1,865 3,869 17.083,870 9.626,871 7,872 3.157,874 2.892,875 1.396,876 0.962,877 8.51,878 10.187,879 3.85,880 4.437,881 4.785,882 5.308,883 5.805,884 5.839,885 6.133,886 6.436,887 6.626,888 6.89,889 0.889,890 42,891 12.061,893 5.283,894 8.037,895 22.205,897 17.993,899 2.537,900 81.194,904 247.193,905 141.103,906 49.596,907 39.149,908 112.141,910 5.569,911 135.534,912 398.483,913 49.596,915 12.244,916 107.26,917 169.784,918 37.094,920 223.651,921 39.149,922 247.193,923 185.13,924 112.141,925 44.718,927 223.651,928 135.683,931 46.744,932 105.196,933 77.908,935 247.193,936 161.737,937 180.252,939 5.569,940 247.193,941 32.153,942 103.381,943 32.81,944 168.075,945 247.193,946 161.737,947 180.252,949 0.576,950 0.293,951 0.151,952 0.089,953 19,954 9,955 0.19,956 11,958 1,959 4.379,960 268.218,962 18,963 154,967 1,968 24.053,969 11.322,970 8.462,972 161.737,973 19.65,974 4.132,978 4.841,980 75.493,981 589.182,982 46,986 -3.737,987 35.586,991 -0.856,994 56.734,995 62.764,996 0.302,997 0.635,998 0.807,999 0.918,1000 0.932,1001 0.939,1002 5.066,1003 1.925,1004 5.866,1005 5.587,1006 4.533,1007 5.124,1008 2.35,1009 6.611,1010 4.486,1011 6.286,1012 1.402,1013 7.385,1014 4.972,1015 4.205,1016 5.112,1017 2.243,1018 7.6,1019 4.136,1020 7.606,1021 1.138,1022 9.004,1023 3.026,1024 6.116,1025 7.348,1026 3.64,1027 10.511,1028 6.045,1029 8.962,1030 1,1031 10.684,1032 2.551,1033 6.538,1034 8.092,1035 4.112,1036 12.33,1037 6.459,1038 10.349,1039 1,1040 12.407,1041 2.275,1042 7.977,1043 9.88,1044 5.203,1045 14.844,1046 7.894,1047 11.758,1048 0.556,1049 14.161,1050 2.136,1051 8.757,1052 10.977,1053 5.889,1054 17.013,1055 8.673,1056 13.187,1057 0.177,1058 15.94,1059 1.252,1060 10.007,1061 12.588,1062 6.849,1063 19.423,1064 9.918,1065 3.217,1067 17.739,1068 0.437,1069 10.971,1070 13.868,1071 7.625,1072 21.733,1073 10.88,1074 2.856,1075 11.045,1076 19.556,1078 12.146,1079 15.402,1080 8.526,1081 24.123,1082 12.05,1083 2.547,1084 8.482,1085 21.387,1086 4.488,1087 13.202,1088 16.78,1089 9.342,1090 26.487,1091 13.103,1092 2.514,1093 7.187,1094 23.23,1095 3.858,1096 14.352,1097 18.283,1098 10.216,1099 28.878,1100 14.247,1101 2.262,1102 6.98,1103 25.084,1104 3.585,1105 15.456,1106 19.712,1107 11.051,1108 31.263,1109 15.346,1110 2.04,1111 6.106,1112 26.946,1113 3.435,1114 16.6,1115 21.204,1116 11.912,1117 33.657,1118 16.485,1119 2,1120 5.616,1121 28.817,1122 2.757,1123 17.728,1124 22.663,1125 12.755,1126 36.05,1127 17.607,1128 14363,1129 26754,1130 22.246,1131 38.716,1132 49.486,1133 50.839,1134 50.192,1135 49.372,1136 49.266,1137 65.986,1138 6.042,1139 135.303,1140 47.864,1141 5.616,1142 5.6,1143 6.543,1144 5.244,1145 5.217,1146 7.488,1147 3.925,1148 17.384,1149 5.19,1150 17.264,1151 1.455,1152 1.495,1153 1.476,1154 1.452,1155 1.449,1156 1.941,1157 0.178,1158 3.98,1159 1.408,1160 4.05,1161 4.066,1162 4.716,1163 3.983,1164 7.719,1165 3.962,1166 3.97,1167 3.98,1168 3.977,1169 3.909,1170 7.474,1171 3.867,1172 3.832,1173 3.87,1174 3.942,1175 3.746,1176 6.999,1177 3.737,1178 3.783,1179 3.781,1180 3.759,1181 3.718,1182 6.351,1183 3.638,1184 3.586,1185 3.611,1186 3.496,1187 3.415,1188 4.947,1189 3.418,1190 3.36,1191 3.408,1192 3.315,1193 3.224,1194 4.901,1195 3.203,1196 3.155,1197 3.198,1198 3.233,1199 2.987,1200 4.684,1201 2.991,1202 2.947,1203 3,1204 3.039,1205 2.797,1206 4.365,1207 2.785,1208 0.138,1209 0.106,1210 0.198,1211 0.124,1212 0.095,1213 4.697,1214 0.132,1215 3.6,1216 0.069,1217 6.741,1218 0.325,1219 4.208,1220 0.094,1221 3.217,1222 4.488,1223 2.341,1224 11.045,1225 3.19,1226 1.994,1227 1.969,1228 2.106,1229 2.074,1230 1.339,1231 2.09,1232 1.897,1233 1.881,1234 1.965,1235 1.999,1236 1.116,1237 2.021,1238 1.815,1239 1.778,1240 1.944,1241 1.935,1242 1.095,1243 1.941,1244 1.638,1245 1.644,1246 1.8,1247 1.816,1248 1.06,1249 1.844,1250 1.516,1251 1.492,1252 1.656,1253 1.713,1254 0.829,1255 1.72,1256 1.32,1257 1.285,1258 1.388,1259 1.498,1260 0.615,1261 1.535,1262 1.117,1263 1.073,1264 1.21,1265 1.334,1266 0.504,1267 1.34,1268 0.886,1269 0.839,1270 1.181,1271 1.16,1272 0.253,1273 1.157,1274 4.234,1276 5.533,1278 6.999,1280 8.539,1282 10.119,1285 5.822,1289 9.017,1290 1.756,1291 4.984,1300 36.733,1301 98.376,1302 206.655,1303 262.418,1304 298.457,1305 303.212,1306 305.212,1307 85.29,1308 7.296,1309 108.39,1310 116.77,1311 18,1312 12.311,1313 4.459,1314 3.7,1315 61.103,1316 149,1317 164,1318 0.19,1319 235.772,1320 412.16,1321 567.043,1322 15093,1323 1.8,1324 22.976,1325 0.718,1326 0.59,1327 23.726,1328 18.864,1329 15.288,1330 0.45,1331 0.35,1332 10.094,1333 13.761,1334 9.717,1335 8.052,1336 16.43,1337 11.905,1338 14.403,1339 0.313,1340 0.202,1341 16.12,1342 9.282,1343 9.986,1344 0.196,1345 0.118,1346 11.122,1347 6.014,1348 8.116,1349 0.127,1350 0.067,1351 9.117,1352 4.274,1353 6.564,1354 0.084,1355 0.038,1356 7.453,1357 2.969,1358 0.305,1359 106.899,1360 0.212,1361 30.442,1362 0.504,1363 160,1364 518.731,1365 223.234,1366 553.723,1367 718,1368 506,1369 177,1370 454.532,1371 240.862,1372 508.706,1373 722.02,1374 474,1375 7.42} {0 CHEMBL117459,1 1.739,2 7.857,3 2.459,4 6.045,5 82.912,6 9.949,7 0.652,8 3.679,9 3.783,10 3.492,11 3.249,12 4.845,13 3.235,14 4.185,15 4.341,16 3.906,17 3.658,18 5.396,19 3.615,20 4.388,21 4.57,22 3.851,23 3.765,24 5.404,25 3.658,26 4.441,27 4.658,28 3.825,29 3.753,30 5.419,31 3.633,32 4.355,33 4.559,34 3.965,35 3.715,36 5.37,37 3.61,38 4.403,39 4.618,40 3.86,41 3.645,42 5.501,43 3.546,44 4.253,45 4.468,46 3.819,47 3.51,48 5.395,49 3.386,50 4.085,51 4.285,52 3.67,53 3.235,54 5.332,55 3.073,56 0.066,57 0.515,58 4.025,59 2.977,60 8.684,61 3.442,62 0.279,63 0.841,64 9.731,65 4.881,66 34.186,67 5.821,68 0.283,69 0.936,70 22.293,71 7.285,72 36.149,73 8.437,74 0.404,75 0.983,76 21.974,77 7.496,78 35.332,79 9.31,80 0.185,81 0.904,82 17.18,83 7.039,84 19.523,85 8.974,86 0.333,87 0.909,88 31.269,89 7.519,90 32.449,91 8.876,92 0.261,93 0.746,94 25.484,95 6.898,96 31.748,97 7.913,98 0.451,99 0.569,100 32.669,101 6.043,102 50.41,103 6.091,104 13,105 32,106 0.316,107 0.703,108 0.865,109 0.9,110 0.9,111 0.9,112 3.104,113 0.962,114 -3.36,115 -3.34,116 -3.2,117 1,118 42.9,120 1,124 2,140 3,141 2,142 1,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 6,175 1,177 1,180 5,186 3,187 1,194 5,197 2,198 2,201 1,206 5,210 3,218 2,219 3,221 1,222 7,227 3,230 2,234 3,235 1,239 2,242 1,246 1,247 3,250 1,256 1,259 1,260 1,264 1,270 553,271 14.085,272 14.085,273 14.085,274 14.085,275 14.085,276 12.082,277 16.079,278 8.416,279 14.529,280 11.392,281 11.392,282 11.392,283 11.392,284 11.392,285 8.363,286 20.405,287 4.065,288 12.166,289 3.39,290 1.255,291 0.364,292 0.171,293 0.171,294 0.171,295 3.781,298 1,299 1,300 1,301 350,302 3,305 94.254,306 51.978,309 80.284,313 1.306,314 17.141,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 45.25,326 165,327 4.656,328 3.6,329 6.764,330 4.182,331 3.214,332 4.623,333 2.341,334 11.136,335 3.113,336 3.935,337 3.315,338 5.645,339 3.481,340 2.56,341 3.492,342 0.522,343 7.567,344 2.359,345 3.706,346 2.82,347 5.331,348 3.287,349 2.352,350 3.144,352 6.746,353 2.226,354 3.549,355 2.682,356 5.037,357 3.122,358 2.191,359 2.834,361 5.967,362 1.939,363 3.422,364 2.207,365 4.744,366 2.981,367 2.012,368 2.679,370 5.197,371 1.92,372 2.966,373 1.798,374 4.573,375 2.502,376 1.572,377 2.136,379 4.618,380 1.387,381 2.631,382 1.297,383 3.792,384 2.161,385 1.216,386 1.681,388 2.867,389 1.144,390 2.389,391 1.105,392 3.391,393 1.93,394 0.962,395 1.342,397 2.34,398 0.927,399 2.118,400 0.924,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.725,409 0.618,410 2.952,411 1.453,412 0.479,413 0.561,415 1.084,416 0.453,417 1.18,418 0.424,419 2.713,420 0.765,421 -0.132,422 -0.167,424 -0.345,425 -0.094,426 0.824,427 0.284,428 2.421,429 0.414,430 -0.456,431 -0.547,433 -1.191,434 -0.332,435 0.724,436 -0.078,437 2.241,438 0.258,439 -0.716,440 -0.922,442 -2,443 -0.678,444 0.468,445 -0.422,446 2.073,447 0.009,448 -1,449 -1.288,451 -2.14,452 -0.909,453 0.185,454 -0.882,455 1.737,456 -0.136,457 -1.062,458 -1.455,460 -2.93,461 -0.964,462 10.7,463 0.51,464 0.541,465 0.026,466 27.5,467 1.31,468 13.5,469 0.643,470 14,471 0.667,472 16.335,473 0.778,474 21.7,475 0.62,476 17.117,477 0.815,478 5.363,479 0.255,480 4.768,481 0.227,482 0.187,484 0.308,487 0.816,488 1.411,489 0.48,490 0.837,491 0.69,492 0.841,493 0.715,494 0.967,495 0.574,496 0.696,497 0.394,498 0.8,499 0.995,500 1.084,501 0.969,502 1.036,503 0.96,504 1.123,505 0.739,506 0.838,507 0.704,508 0.816,509 0.743,510 0.978,511 0.536,512 1.181,513 0.645,514 0.979,515 0.462,516 1.02,517 0.973,518 1.01,519 1.127,520 1.107,521 0.91,522 1.029,523 1.077,524 1,525 1.234,526 1.077,527 1.026,528 1.017,529 1.701,530 0.911,531 2.15,532 1.403,533 2.058,534 1.249,535 4.5,536 0.04,537 2,538 1.549,539 0.893,540 0.723,541 0.554,542 0.218,543 0.212,544 0.055,545 4095,546 14381,547 2.074,548 40,550 7,551 2,552 2,553 1,554 2,558 1.637,559 1.938,560 3.002,561 -0.244,563 1,565 1,567 60.864,568 1.739,569 3.875,570 4.765,571 4.958,572 4.958,573 4.958,574 2.488,575 3.821,576 4.357,577 3.161,578 663.8,579 7.499,580 7034.04,581 1,582 1,584 1,585 179.525,586 1.418,587 4.322,588 0.196,589 0.01,590 0.063,591 0.055,592 0.033,593 0.026,594 0.021,595 0.01,596 0.016,597 0.007,598 0.437,599 0.33,600 1,601 1.238,602 93.826,603 -0.09,604 -0.282,605 -0.001,606 -0.047,607 -0.065,608 -0.014,609 0.054,610 0.175,611 0.008,612 0.114,613 0.199,614 0.052,615 -0.185,616 -0.093,617 -0.099,618 -0.092,619 -0.167,620 -0.167,621 0.032,622 0.154,623 -0.011,624 0.075,625 -0.061,626 -0.008,627 0.089,628 -0.216,629 0.079,630 -0.065,631 0.082,632 -0.026,633 -0.036,634 -0.053,635 -0.063,636 -0.108,637 -0.015,638 -0.033,639 -0.09,640 -0.088,641 -0.024,642 -0.016,643 -0.01,644 0.01,645 -0.175,646 -0.041,647 -0.213,648 -0.136,649 -0.347,650 -0.214,651 2.454,652 3.793,653 0.667,654 17.079,655 1.014,656 1.121,657 2.13,658 4.539,659 0.71,660 3.178,661 3.497,662 3.738,663 4.043,664 4.234,665 4.369,666 4.522,667 4.585,668 4.522,669 4.394,670 5.062,671 0.677,672 348.22,673 3.178,674 4.71,675 5.549,676 6.431,677 7.302,678 8.195,679 9.081,680 9.98,681 10.875,682 11.777,683 8.6,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,723 1,724 35,726 16,727 1,728 23,729 1,730 37,731 15,733 11,734 3,735 3,739 3,740 4,751 1,753 12,754 3,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 6,776 1,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,835 1,840 21,845 1,846 3,861 1,862 5.7,864 1,865 1,869 10.833,870 6.193,871 4.583,872 1.975,874 2.818,875 1.417,876 0.981,877 4.128,878 9.568,879 3.481,880 4.119,881 4.707,882 5.355,883 5.809,884 6.205,885 6.656,886 7.038,887 7.165,888 7.342,889 1,890 28,891 7.719,893 3.253,894 7.861,895 14.653,897 11.965,899 2.361,900 49.583,904 153.024,905 82.803,906 66.538,908 67.828,911 128.757,912 220.853,913 20.584,915 6.746,916 46.524,917 117.684,918 21.659,919 25.686,920 105.94,921 45.954,922 153.024,923 103.387,924 67.828,926 45.954,927 153.024,928 67.828,931 28.21,932 58.391,933 16.786,934 45.954,935 153.024,936 88.412,937 128.757,940 153.024,941 18.614,942 67.988,943 45.954,944 84.614,945 153.024,946 88.412,947 128.757,949 0.578,950 0.315,951 0.175,952 0.099,953 16,954 7,955 0.135,956 5,957 1,958 1.143,959 3.344,960 161.378,961 0.143,962 14,963 92.239,968 14.357,969 6.038,970 3.194,971 2.179,972 84.614,973 13.522,974 4.051,978 2.16,979 3.999,980 42.683,981 370.194,982 31.5,987 10.793,991 -0.787,994 35.491,995 39.247,996 0.339,997 0.755,998 0.929,999 0.967,1000 0.967,1001 0.967,1002 4.698,1003 0.962,1004 5.533,1005 2.867,1006 4.174,1007 4.804,1008 2.313,1009 6.333,1010 4.055,1011 5.921,1012 0.618,1013 7.079,1014 2.34,1015 3.761,1016 4.677,1017 2.243,1018 7.209,1019 3.547,1020 7.234,1021 0.479,1022 8.725,1023 1.372,1024 5.746,1025 7.068,1026 3.632,1027 10.327,1028 5.537,1029 8.587,1030 -0.132,1031 10.431,1032 1.084,1033 6.155,1034 7.817,1035 4.112,1036 12.1,1037 5.883,1038 9.972,1039 -0.456,1040 12.179,1041 -0.345,1042 7.617,1043 9.668,1044 5.202,1045 14.746,1046 7.341,1047 11.383,1048 -0.716,1049 13.958,1050 -1.191,1051 8.42,1052 10.841,1053 5.889,1054 16.906,1055 8.105,1056 12.815,1057 -1,1058 15.762,1059 -2,1060 9.682,1061 12.486,1062 6.849,1063 19.395,1064 9.354,1065 3.214,1066 -1.062,1067 17.585,1068 -2.14,1069 10.678,1070 13.86,1071 7.625,1072 21.71,1073 10.322,1074 2.56,1075 11.136,1076 19.425,1077 -2.93,1078 11.867,1079 15.428,1080 8.526,1081 24.147,1082 11.492,1083 2.352,1084 7.567,1085 21.278,1086 4.623,1087 12.954,1088 16.89,1089 9.342,1090 26.521,1091 12.552,1092 2.191,1093 6.746,1094 23.142,1095 3.492,1096 14.12,1097 18.431,1098 10.216,1099 28.94,1100 13.696,1101 2.012,1102 5.967,1103 25.015,1104 3.144,1105 15.248,1106 19.933,1107 11.051,1108 31.337,1109 14.798,1110 1.572,1111 5.197,1112 26.896,1113 2.834,1114 16.409,1115 21.465,1116 11.912,1117 33.75,1118 15.933,1119 1.216,1120 4.618,1121 28.782,1122 2.679,1123 17.557,1124 22.983,1125 12.755,1126 36.155,1127 17.053,1128 4060,1129 7678,1130 15.315,1131 24.847,1132 34.807,1133 34.978,1134 34.805,1135 34.609,1136 34.351,1137 46.839,1138 5.725,1139 97.788,1140 32.09,1141 5.476,1142 5.6,1143 6.377,1144 5.241,1145 5.214,1146 7.623,1147 3.925,1148 18.202,1149 5.113,1150 9.928,1151 1.513,1152 1.521,1153 1.513,1154 1.505,1155 1.494,1156 2.036,1157 0.249,1158 4.252,1159 1.395,1160 4.158,1161 4.193,1162 6.88,1163 4.076,1164 7.474,1165 4.079,1166 3.876,1167 3.942,1168 4.094,1169 3.674,1170 6.351,1171 3.701,1172 3.624,1173 3.656,1174 3.815,1175 3.472,1176 4.981,1177 3.467,1178 3.395,1179 3.424,1180 3.507,1181 3.287,1182 4.874,1183 3.278,1184 3.1,1185 3.149,1186 3.204,1187 2.914,1188 4.293,1189 2.913,1190 2.805,1191 2.865,1192 2.98,1193 2.635,1194 3.874,1195 2.625,1196 2.76,1197 2.83,1198 2.602,1199 2.547,1200 3.631,1201 2.538,1202 2.47,1203 2.57,1204 2.537,1205 2.309,1206 3.546,1207 2.281,1208 0.202,1209 0.157,1210 0.294,1211 0.182,1212 0.14,1213 4.656,1214 0.201,1215 3.6,1216 0.102,1217 6.764,1218 0.484,1219 4.182,1220 0.135,1221 3.214,1222 4.623,1223 2.341,1224 11.136,1225 3.113,1226 1.943,1227 1.924,1228 2.002,1229 2.024,1230 1.226,1231 2.026,1232 1.722,1233 1.667,1234 1.882,1235 1.918,1236 1.138,1237 1.911,1238 1.537,1239 1.486,1240 1.718,1241 1.75,1242 0.916,1243 1.744,1244 1.324,1245 1.272,1246 1.502,1247 1.533,1248 0.552,1249 1.524,1250 1.24,1251 1.178,1252 1.395,1253 1.508,1254 0.397,1255 1.472,1256 1.01,1257 0.982,1258 1.17,1259 1.215,1260 0.272,1261 1.211,1262 0.774,1263 0.722,1264 1.053,1265 0.97,1266 0.138,1267 0.998,1268 0.634,1269 0.585,1270 0.926,1271 0.931,1272 0.028,1273 0.95,1274 3.85,1276 5.165,1277 3.045,1278 6.65,1279 5.352,1280 8.226,1281 7.413,1282 9.859,1283 3.493,1289 8.872,1290 1.3,1300 23.68,1301 60.864,1302 135.609,1303 166.77,1304 173.525,1305 173.525,1306 173.525,1307 29.526,1308 6.75,1309 60.05,1310 60.05,1311 16,1312 12.3,1313 4.087,1314 3.248,1315 31.951,1316 63,1317 61,1318 0.258,1319 152.273,1320 249.66,1321 363.306,1322 6440,1323 2.9,1324 14.82,1325 0.706,1326 0.611,1327 15.82,1328 12.824,1329 10.131,1330 0.44,1331 0.321,1332 6.528,1333 9.14,1334 6.357,1335 5.223,1336 10.708,1337 7.374,1338 9.359,1339 0.292,1340 0.181,1341 10.176,1342 5.804,1343 7.259,1344 0.177,1345 0.095,1346 7.784,1347 3.898,1348 6.139,1349 0.11,1350 0.05,1351 6.577,1352 2.808,1353 4.809,1354 0.071,1355 0.03,1356 5.369,1357 2.026,1358 0.39,1359 72,1360 0.256,1361 20.593,1362 0.752,1363 110,1364 341.475,1365 186.238,1366 366.941,1367 482.3,1368 340,1369 128,1370 321.499,1371 166.277,1372 338.627,1373 489.25,1374 317,1375 7.921} {0 CHEMBL117512,1 1.585,2 6.438,3 2.465,4 6.074,5 64.413,6 8.912,7 0.833,8 3.4,9 3.515,10 3.134,11 3.01,12 4.524,13 2.994,14 3.884,15 4.039,16 3.498,17 3.414,18 4.965,19 3.374,20 4.03,21 4.212,22 3.367,23 3.453,24 5.001,25 3.34,26 4.043,27 4.282,28 3.247,29 3.33,30 4.949,31 3.207,32 3.848,33 4.081,34 3.26,35 3.159,36 4.827,37 3.054,38 3.719,39 3.938,40 2.948,41 2.973,42 4.759,43 2.857,44 3.396,45 3.648,46 2.675,47 2.674,48 4.385,49 2.535,50 2.971,51 3.201,52 2.377,53 2.204,54 4.102,55 2.024,56 0.022,57 0.399,58 3.809,59 1.962,60 3.958,61 2.427,62 0.112,63 0.638,64 7.637,65 3.241,66 8.14,67 3.983,68 0.096,69 0.66,70 12.223,71 4.71,72 11.977,73 6.045,74 0.167,75 0.669,76 13.726,77 4.757,78 14.496,79 6.257,80 0.122,81 0.531,82 11.406,83 4.02,84 12.154,85 5.379,86 0.201,87 0.461,88 13.428,89 3.396,90 16.487,91 4.244,92 0.078,93 0.326,94 7.47,95 2.561,96 9.675,97 3.385,98 0.105,99 0.17,100 7.79,101 1.827,102 11.877,103 2.293,104 2,105 25,106 0.308,107 0.701,108 0.847,109 0.898,110 0.898,111 0.898,112 2.854,113 0.903,114 -3.33,115 -3.32,116 -3.18,118 46.2,124 1,140 3,141 2,142 1,143 1,149 2,150 1,156 1,168 3,171 1,172 1,177 3,180 5,186 1,191 2,194 5,198 2,201 1,206 2,210 2,215 1,222 3,225 1,234 1,247 2,270 248,271 11.016,272 11.016,273 11.016,274 11.016,275 11.016,276 9.213,277 9.983,278 6.564,279 11.383,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.28,286 14.199,287 3.157,288 9.548,289 3.115,290 1.093,291 0.337,292 0.077,293 0.077,294 0.077,295 3.53,297 1,299 1,300 1,301 226,302 1.871,305 67.033,306 35.798,309 54.975,313 1.063,314 7.388,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 33.833,326 103,327 4.553,328 3.227,329 6.552,330 4.078,331 3.099,332 4.505,333 0.522,334 10.385,335 3.033,336 3.929,337 2.843,338 5.46,339 3.461,340 2.542,341 3.489,343 7.267,344 2.335,345 3.614,346 2.569,347 5.027,348 3.106,349 2.214,350 3.047,352 5.967,353 1.949,354 3.296,355 1.998,356 4.935,357 2.816,358 1.861,359 2.635,361 5.547,362 1.714,363 2.739,364 1.35,365 4.112,366 2.251,367 1.289,368 1.844,370 3.408,371 1.234,372 2.569,373 1.184,374 3.435,375 2.05,376 1.122,377 1.598,379 2.535,380 1.035,381 2.151,382 0.834,383 3.22,384 1.64,385 0.701,386 1,388 1.653,389 0.644,390 2.118,391 0.618,392 3,393 1.553,394 0.618,395 0.927,397 1.372,398 0.577,399 1.178,400 0.298,401 2.626,402 0.77,403 -0.133,404 -0.168,406 -0.331,407 -0.105,408 0.79,409 -0.199,410 2.375,411 0.327,412 -0.539,413 -0.68,415 -1.433,416 -0.409,417 0.57,418 -0.869,419 2,420 0.079,421 -0.894,422 -1.311,424 -2.686,425 -0.868,426 0.08,427 -0.938,428 1.907,429 -0.39,430 -1.232,431 -1.531,433 -2.956,434 -0.997,435 -0.064,436 -1.29,437 1.384,438 -0.598,439 -1.454,440 -1.973,442 -3.518,443 -1.355,444 -0.118,445 -1.618,446 1.098,447 -0.699,448 -1.618,449 -2.427,451 -4.372,452 -1.476,453 -0.198,454 -1.658,455 1,456 -0.729,457 -1.675,458 -2.481,460 -4.684,461 -1.589,462 7.914,463 0.495,464 0.346,465 0.022,466 23,467 1.438,468 12,469 0.75,470 11,471 0.688,472 9.212,473 0.576,474 16.086,475 0.619,476 12.684,477 0.793,478 4.637,479 0.29,480 3.189,481 0.199,482 0.09,484 0.303,487 0.812,488 1.333,489 0.538,490 0.852,491 0.631,492 0.787,493 1.014,494 0.934,495 0.693,496 0.724,497 0.729,498 0.789,499 0.932,500 1.173,501 1.086,502 1.235,503 0.997,504 1.236,505 0.933,506 0.885,507 0.884,508 0.924,509 0.95,510 0.996,511 0.692,512 1.06,513 0.71,514 0.908,515 0.623,516 0.88,517 1.371,518 0.949,519 1.599,520 1.275,521 1.576,522 1.187,523 0.997,524 0.859,525 0.848,526 0.807,527 0.98,528 0.895,529 1.496,530 0.908,531 2.008,532 1.394,533 1.836,534 1.233,535 3,537 1.556,538 0.951,539 0.603,540 0.33,541 0.138,542 0.087,543 0.041,545 2074,546 6317,547 2.174,548 38.5,550 5,551 2,552 2,553 1,558 1.551,559 2.087,560 2.76,561 -0.229,565 1,567 41.218,568 1.585,569 3.608,570 4.364,571 4.624,572 4.624,573 4.624,574 2.203,575 3.625,576 3.975,577 2.856,578 342.727,579 6.69,580 2916.75,582 1,584 1,585 122.211,586 1.198,587 3.954,588 0.167,590 0.062,591 0.048,592 0.035,593 0.021,594 0.012,595 0.011,596 0.01,598 0.365,599 1,600 1,601 0.5,602 63.688,603 -0.074,604 -0.232,605 0.017,606 -0.051,607 -0.031,608 -0.001,609 -0.14,610 0.173,611 -0.037,612 0.106,613 -0.039,614 0.028,615 -0.127,616 -0.237,617 -0.199,618 -0.285,619 -0.164,620 -0.291,621 -0.049,622 0.066,623 -0.01,624 0.041,625 -0.099,626 -0.003,627 0.2,628 -0.148,629 0.242,630 0.087,631 0.276,632 0.14,633 -0.075,634 0.004,635 -0.328,636 -0.278,637 -0.273,638 -0.221,639 -0.057,640 0.048,641 0.156,642 0.21,643 0.094,644 0.148,645 0.108,646 -0.112,647 -0.131,648 -0.221,649 0.088,650 -0.135,651 0.904,652 1.885,653 0.875,654 8.75,655 1.006,656 1.119,657 2.102,658 4.419,659 0.728,660 2.944,661 3.258,662 3.526,663 3.807,664 3.912,665 3.951,666 4.043,667 4.078,668 3.892,669 3.784,670 4.133,671 0.692,672 231.7,673 2.944,674 4.466,675 5.313,676 6.188,677 7.055,678 7.936,679 8.811,680 9.693,681 10.572,682 11.456,683 11.5,691 2,693 1,698 2,699 7,700 1,701 1,704 2,705 1,706 15,723 1,724 26,726 15,727 1,728 18,730 28,731 12,733 11,734 3,735 3,739 3,740 4,741 1,753 11,754 1,769 1,772 10,773 1,774 1,775 4,776 1,778 1,779 3,784 0.667,797 1,801 2,802 1,805 1,832 2,837 1,840 16,846 1,861 1,869 7.667,870 4.626,871 3.472,872 1.437,874 2.839,875 1.453,876 1.053,877 2.365,878 9.1,879 3.277,880 3.942,881 4.575,882 5.211,883 5.602,884 5.934,885 6.354,886 6.735,887 6.721,888 6.942,889 1,890 20,891 5.852,893 2.467,894 7.611,895 11.275,897 9.284,899 2.111,900 33.778,901 0.003,904 105.94,905 77.699,906 35.47,907 39.149,911 77.699,912 145.089,913 35.47,915 2.106,916 46.524,917 48.946,918 36.991,919 25.686,920 58.856,921 39.149,922 105.94,923 113.169,925 39.149,927 105.94,931 38.456,932 57.927,933 55.934,935 105.94,936 35.47,937 116.847,940 105.94,941 13.509,942 66.089,943 16.786,944 55.934,945 105.94,946 35.47,947 116.847,949 0.579,950 0.334,951 0.186,952 0.093,953 14,954 5,955 0.071,956 2,957 1,958 1.143,959 2.946,960 111.293,961 0.143,962 14,963 64,968 9.785,969 3.868,970 1.839,971 2.278,972 16.786,973 13.422,974 4.027,975 3.235,978 1.981,979 2.031,980 16.786,981 258.257,982 25.5,994 26.164,995 29.1,996 0.337,997 0.768,998 0.928,999 0.984,1000 0.984,1001 0.984,1002 4.474,1003 0.618,1004 5.283,1005 1.653,1006 3.932,1007 4.625,1008 0.434,1009 6.071,1010 3.809,1011 5.696,1012 -0.133,1013 6.819,1014 1.372,1015 3.434,1016 4.407,1018 6.899,1019 3.226,1020 7.005,1021 -0.539,1022 8.454,1023 -0.331,1024 5.493,1025 6.913,1026 0.138,1027 10.007,1028 5.289,1029 8.356,1030 -0.894,1031 10.149,1032 -1.433,1033 5.861,1034 7.611,1036 11.722,1037 5.613,1038 9.741,1039 -1.232,1040 11.885,1041 -2.686,1042 7.347,1043 9.507,1044 0.039,1045 14.325,1046 7.096,1047 11.151,1048 -1.454,1049 13.651,1050 -2.956,1051 8.116,1052 10.635,1054 16.41,1055 7.848,1056 12.579,1057 -1.618,1058 15.438,1059 -3.518,1060 9.375,1061 12.29,1062 0.011,1063 18.844,1064 9.1,1065 3.099,1066 -1.675,1067 17.243,1068 -4.372,1069 10.334,1070 13.622,1072 21.081,1073 10.049,1074 2.542,1075 10.385,1076 19.062,1077 -4.684,1078 11.506,1079 15.181,1080 0.003,1081 23.455,1082 11.21,1083 2.214,1084 7.267,1085 20.892,1086 4.505,1087 12.553,1088 16.608,1090 25.754,1091 12.248,1092 1.861,1093 5.967,1094 22.732,1095 3.489,1096 13.692,1097 18.131,1098 0.001,1099 28.107,1100 13.375,1101 1.289,1102 5.547,1103 24.579,1104 3.047,1105 14.781,1106 19.6,1108 30.43,1109 14.452,1110 1.122,1111 3.408,1112 26.432,1113 2.635,1114 15.909,1115 21.109,1117 32.775,1118 15.566,1119 0.701,1120 2.535,1121 28.29,1122 1.844,1123 17.018,1124 22.597,1126 35.108,1127 16.66,1128 2006,1129 3571,1130 12.425,1131 18.921,1132 27.271,1133 27.199,1134 27.036,1135 27.067,1136 26.892,1137 38.089,1138 1.043,1139 76.267,1140 25.041,1141 5.338,1142 5.227,1143 6.166,1144 5.136,1145 5.099,1146 7.505,1147 1.043,1148 17.126,1149 5.033,1150 4.586,1151 1.515,1152 1.511,1153 1.502,1154 1.504,1155 1.494,1156 2.116,1157 0.058,1158 4.237,1159 1.391,1160 4.138,1161 4.173,1162 4.144,1163 4.052,1164 5.049,1165 4.058,1166 3.873,1167 3.938,1168 3.841,1169 3.671,1170 4.936,1171 3.699,1172 3.423,1173 3.465,1174 3.643,1175 3.322,1176 4.659,1177 3.316,1178 3.046,1179 3.122,1180 3.027,1181 2.887,1182 3.964,1183 2.883,1184 2.78,1185 2.862,1186 2.732,1187 2.606,1188 3.753,1189 2.593,1190 2.471,1191 2.571,1192 2.591,1193 2.319,1194 3.542,1195 2.298,1196 2.432,1197 2.481,1198 2.261,1199 2.272,1200 3.329,1201 2.256,1202 2.138,1203 2.264,1204 2.051,1205 1.819,1206 2.985,1207 1.836,1208 0.253,1209 0.179,1210 0.364,1211 0.227,1212 0.172,1213 4.553,1214 0.25,1215 3.227,1216 0.029,1217 6.552,1218 0.577,1219 4.078,1220 0.168,1221 3.099,1222 4.505,1223 0.522,1224 10.385,1225 3.033,1226 1.935,1227 1.916,1228 2.001,1229 2.007,1230 1.197,1231 2.012,1232 1.658,1233 1.599,1234 1.807,1235 1.87,1236 0.962,1237 1.856,1238 1.364,1239 1.302,1240 1.534,1241 1.58,1242 0.565,1243 1.571,1244 1.269,1245 1.193,1246 1.435,1247 1.522,1248 0.389,1249 1.506,1250 1,1251 0.962,1252 1.168,1253 1.16,1254 0.24,1255 1.177,1256 0.762,1257 0.697,1258 1.057,1259 0.945,1260 0.131,1261 0.991,1262 0.512,1263 0.411,1264 0.86,1265 0.753,1266 0.008,1267 0.807,1270 0.431,1271 0.229,1273 0.309,1274 3.611,1276 4.92,1277 3.045,1278 6.409,1279 5.283,1280 7.985,1281 7.273,1282 9.614,1285 5.996,1290 0.806,1300 17.999,1301 41.218,1302 93.805,1303 113.457,1304 120.211,1305 120.211,1306 120.211,1307 14.317,1308 6.261,1309 33.61,1310 33.61,1311 16,1312 11.99,1313 4,1314 3.087,1315 21.793,1316 39,1317 32,1318 0.284,1319 114.85,1320 178.75,1321 271.993,1322 3590,1323 3.8,1324 10.958,1325 0.685,1326 0.58,1327 11.458,1328 9.277,1329 7.826,1330 0.435,1331 0.301,1332 5.007,1333 7.278,1334 4.87,1335 4.026,1336 8.115,1337 5.418,1338 7.066,1339 0.283,1340 0.167,1341 7.474,1342 4.175,1343 5.935,1344 0.18,1345 0.087,1346 6.197,1347 2.877,1348 5.032,1349 0.114,1350 0.046,1351 5.252,1352 2.031,1353 3.671,1354 0.075,1355 0.027,1356 3.97,1357 1.324,1358 0.425,1359 51.701,1360 0.284,1361 16.014,1362 0.832,1363 86,1364 233.826,1365 106.765,1366 262.983,1367 355.52,1368 246,1369 101,1370 243.764,1371 116.948,1372 260.332,1373 376.75,1374 244,1375 5.523} {0 CHEMBL117538,1 1.778,2 12.581,3 4.01,4 16.078,5 117.277,6 8.865,7 0.545,8 4.051,9 4.13,10 3.881,11 3.657,12 5.215,13 3.622,14 4.559,15 4.678,16 4.168,17 4.015,18 5.978,19 3.96,20 4.828,21 4.992,22 4.164,23 4.132,24 6.014,25 4.038,26 4.84,27 5.026,28 4.039,29 4.054,30 6.026,31 3.963,32 4.782,33 4.961,34 4.094,35 4.035,36 5.949,37 3.954,38 4.808,39 4.992,40 4.148,41 4.064,42 6.042,43 3.98,44 4.82,45 5.022,46 4.065,47 4.054,48 5.973,49 3.956,50 4.817,51 5.02,52 4.004,53 4.015,54 6.012,55 3.913,56 0.157,57 0.713,58 10.531,59 5.156,60 25.137,61 5.413,62 0.492,63 1.117,64 17.493,65 8.426,66 78.256,67 9.465,68 0.658,69 1.372,70 32.847,71 12.014,72 81.826,73 12.886,74 0.7,75 1.365,76 34.57,77 11.953,78 106.355,79 13.057,80 0.647,81 1.3,82 29.016,83 10.564,84 83.469,85 11.63,86 0.73,87 1.331,88 30.661,89 11.255,90 88.754,91 13.032,92 0.689,93 1.357,94 29.512,95 11.362,96 86.289,97 13.851,98 0.781,99 1.356,100 33.55,101 11.391,102 99.759,103 13.233,104 29,105 45,106 0.294,107 0.614,108 0.758,109 0.873,110 0.879,111 0.886,112 3.471,113 1.032,114 -3.74,115 -3.7,116 -3.52,118 42.3,120 3,124 1,140 9,141 2,142 4,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 5,175 3,177 2,180 13,181 1,185 1,186 9,191 4,194 10,195 1,198 10,203 5,206 6,207 2,210 7,215 3,218 8,219 1,222 9,223 1,225 1,227 4,229 9,230 2,233 1,234 7,237 1,239 3,242 10,246 2,247 5,252 1,253 1,255 8,256 1,259 5,260 1,262 2,263 1,264 2,267 7,268 1,270 1873,271 20.402,272 20.402,273 20.402,274 20.402,275 20.402,276 17.709,277 19.546,278 12.26,279 20.902,280 16.328,281 16.328,282 16.328,283 16.328,284 16.328,285 12.219,286 18.818,287 5.909,288 17.219,289 3.922,290 1.987,291 1.116,292 0.423,293 0.385,294 0.346,295 4.152,297 1,299 1,300 1,301 817,302 4.243,306 351.291,313 1.788,314 45.812,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.8,325 68.333,326 390,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.222,337 3.6,338 5.833,339 3.83,340 2.856,341 3.858,342 0.86,343 8.482,344 2.791,345 3.889,346 3.141,347 5.407,348 3.462,349 2.515,350 3.435,352 7.187,353 2.367,354 3.835,355 2.898,356 5.15,357 3.315,358 2.401,359 3.393,361 6.323,362 2.251,363 3.568,364 2.791,365 5.037,366 3.262,367 2.262,368 2.757,370 6.105,371 2.157,372 3.351,373 2.403,374 4.86,375 3.022,376 2.033,377 2.601,379 5.594,380 2.003,381 3.297,382 2.19,383 4.727,384 2.894,385 1.925,386 2.535,388 4.973,389 1.847,390 3.08,391 1.884,392 4.586,393 2.575,394 1.64,395 2.289,397 4.754,398 1.463,399 2.849,400 1.507,401 3.589,402 2.349,403 1.401,404 2,406 3.025,407 1.323,408 2.5,409 1.299,410 3.516,411 2.048,412 1.087,413 1.5,415 2.44,416 1.038,417 2.5,418 1.055,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.254,427 1,428 3.247,429 1.956,430 1,431 1.215,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.559,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.616,446 2.979,447 0.914,453 1.138,454 0.422,455 2.865,456 0.894,457 -0.062,458 -0.07,460 -0.157,461 -0.056,462 15.014,463 0.484,464 0.857,465 0.028,466 42,467 1.355,468 23,469 0.742,470 19,471 0.613,472 24.635,473 0.795,474 33.586,475 0.646,476 33.655,477 1.086,478 8.249,479 0.266,480 6.565,481 0.212,482 0.136,483 0.056,484 0.233,487 0.647,488 1.217,489 0.703,490 1.12,491 0.699,492 0.889,493 0.599,494 1.116,495 0.781,496 1.009,497 0.477,498 1,499 1.104,500 1.064,501 1.174,502 1.124,503 0.959,504 1.075,505 1.18,506 1.048,507 1.104,508 1.074,509 1.204,510 1.038,511 1.15,512 1.003,513 0.722,514 0.84,515 1.066,516 0.981,517 0.788,518 1.015,519 0.824,520 1.013,521 0.719,522 1.012,523 0.677,524 1.035,525 0.722,526 0.942,527 0.765,528 1.007,529 0.887,530 1.001,531 1.005,532 1.005,533 0.896,534 1.01,535 8,536 0.256,537 2.889,538 2,539 1.267,540 0.965,541 0.69,542 0.462,543 0.353,544 0.314,545 13115,546 47639,547 2.004,548 40.4,549 2,550 11,552 2,553 2,554 2,555 2,558 1.739,559 1.869,560 3.599,561 0.257,563 1,567 92.467,568 1.778,569 3.713,570 4.584,571 5.277,572 5.316,573 5.354,574 3.011,575 4.503,576 4.924,577 3.783,578 1759.18,579 8.618,580 26370.6,585 296.423,586 1.525,587 4.873,588 0.242,589 0.008,590 0.064,591 0.047,592 0.032,593 0.025,594 0.017,595 0.012,596 0.01,597 0.009,598 0.466,599 0.33,600 0.88,601 1.064,602 163.201,603 0.009,604 -0.075,605 0.122,606 -0.048,607 -0.123,608 0.032,609 0.197,610 -0.033,611 0.011,612 -0.045,613 0.261,614 -0.081,615 -0.149,616 -0.056,617 -0.158,618 -0.073,619 -0.1,620 -0.093,621 -0.183,622 -0.068,623 -0.138,624 -0.062,625 -0.145,626 -0.048,627 -0.178,628 -0.019,629 0.032,630 0.066,631 -0.14,632 -0.03,633 0.086,634 -0.038,635 0.059,636 -0.054,637 0.083,638 -0.021,639 0.119,640 -0.072,641 0.086,642 -0.018,643 0.026,644 -0.002,645 0.017,646 -0.004,647 -0.059,648 -0.025,649 -0.02,650 -0.013,651 4.58,652 5.435,653 0.581,654 34.341,655 1.021,656 1.117,657 2.507,658 6.287,659 0.7,660 3.526,661 3.829,662 3.97,663 4.159,664 4.357,665 4.394,666 4.419,667 4.489,668 4.564,669 4.635,670 7.547,671 0.671,672 460.97,673 3.526,674 5.056,675 5.861,676 6.718,677 7.542,678 8.403,679 9.235,680 10.1,681 10.936,682 11.802,683 3.8,685 1,693 1,699 11,700 1,704 6,706 18,722 1,723 1,724 52,726 21,727 2,728 33,730 54,731 22,733 17,734 5,735 7,739 3,740 3,741 1,751 3,753 18,754 4,756 3,760 1,761 3,765 1,769 1,772 21,773 7,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 4,847 1,848 1,861 1,862 9.6,864 1,865 3,867 1,869 16.583,870 9.043,871 6.792,872 2.927,874 2.92,875 1.403,876 0.957,877 7.908,878 10.171,879 3.829,880 4.425,881 4.842,882 5.332,883 5.829,884 5.948,885 6.125,886 6.349,887 6.664,888 6.959,889 1,890 43,891 11.687,893 5.176,894 8.103,895 21.29,897 17.215,899 2.603,900 80.694,903 1,904 223.651,905 141.717,906 33.191,907 39.149,908 123.141,910 5.807,911 135.91,912 385.941,913 33.191,915 9.709,916 107.499,917 153.379,918 51.004,920 200.109,921 39.149,922 223.651,923 169.1,924 123.141,925 44.956,927 200.109,928 146.683,931 44.209,932 108.105,933 61.742,935 223.651,936 156.332,937 180.866,939 5.807,940 223.651,941 32.529,942 103.381,943 16.405,944 179.075,945 223.651,946 156.332,947 180.866,949 0.579,950 0.306,951 0.152,952 0.088,953 19,954 9,955 0.185,956 10,958 1,959 4.255,960 260.118,962 18,963 147.58,967 1,968 23.074,969 10.624,970 7.245,972 156.332,973 18.064,974 4.008,978 3.282,980 59.088,981 560.848,982 45,986 -3.663,987 35.817,991 -0.893,994 53.076,995 58.06,996 0.312,997 0.651,998 0.804,999 0.926,1000 0.933,1001 0.939,1002 5.047,1003 1.64,1004 5.861,1005 4.973,1006 4.511,1007 5.112,1008 2.402,1009 6.637,1010 4.407,1011 6.272,1012 1.401,1013 7.405,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 3.981,1020 7.601,1021 1.087,1022 9.064,1023 3.025,1024 6.12,1025 7.365,1026 3.657,1027 10.719,1028 5.896,1029 8.97,1030 1,1031 10.798,1032 2.44,1033 6.608,1034 8.166,1035 4.112,1036 12.731,1037 6.238,1038 10.375,1039 1,1040 12.588,1041 2.275,1042 8.054,1043 9.967,1044 5.206,1045 15.346,1046 7.674,1047 11.807,1048 0.555,1049 14.42,1050 2.136,1051 8.918,1052 11.144,1053 5.889,1054 17.698,1055 8.388,1056 13.263,1058 16.287,1059 1.251,1060 10.19,1061 12.776,1062 6.849,1063 20.232,1064 9.624,1065 3.374,1066 -0.062,1067 18.181,1069 11.236,1070 14.14,1071 7.625,1072 22.696,1073 10.53,1074 2.856,1075 12.404,1076 20.096,1077 -0.157,1078 12.449,1079 15.708,1080 8.526,1081 25.215,1082 11.68,1083 2.515,1084 8.482,1085 22.029,1086 4.697,1087 13.581,1088 17.162,1089 9.342,1090 27.714,1091 12.685,1092 2.401,1093 7.187,1094 23.974,1095 3.858,1096 14.779,1097 18.707,1098 10.216,1099 30.23,1100 13.8,1101 2.262,1102 6.323,1103 25.93,1104 3.435,1105 15.95,1106 20.206,1107 11.051,1108 32.742,1109 14.854,1110 2.033,1111 6.105,1112 27.893,1113 3.393,1114 17.149,1115 21.746,1116 11.912,1117 35.258,1118 15.959,1119 1.925,1120 5.594,1121 29.862,1122 2.757,1123 18.339,1124 23.267,1125 12.755,1126 37.774,1127 17.038,1128 12858,1129 24687,1130 21.553,1131 36.403,1132 48.484,1133 50.134,1134 49.19,1135 48.39,1136 48.099,1137 64.833,1138 6.402,1139 133.898,1140 45.616,1141 5.748,1142 6.683,1143 7.095,1144 5.355,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 16.834,1151 1.469,1152 1.519,1153 1.491,1154 1.466,1155 1.458,1156 1.965,1157 0.194,1158 4.058,1159 1.382,1160 4.082,1161 4.068,1162 4.736,1163 4.067,1164 7.717,1165 3.984,1166 3.969,1167 3.979,1168 3.931,1169 3.904,1170 7.474,1171 3.896,1172 3.819,1173 3.858,1174 3.921,1175 3.709,1176 6.999,1177 3.715,1178 3.666,1179 3.686,1180 3.754,1181 3.583,1182 6.351,1183 3.521,1184 3.573,1185 3.585,1186 3.495,1187 3.408,1188 4.997,1189 3.406,1190 3.323,1191 3.346,1192 3.244,1193 3.175,1194 4.926,1195 3.159,1196 3.063,1197 3.078,1198 3.141,1199 2.84,1200 4.725,1201 2.868,1202 2.888,1203 2.935,1204 2.975,1205 2.735,1206 4.276,1207 2.715,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.97,1227 1.97,1228 2.067,1229 2.058,1230 1.302,1231 2.08,1232 1.935,1233 1.924,1234 1.953,1235 2.003,1236 1.173,1237 2.03,1238 1.788,1239 1.753,1240 1.908,1241 1.925,1242 1.071,1243 1.924,1244 1.588,1245 1.557,1246 1.797,1247 1.778,1248 0.918,1249 1.791,1250 1.473,1251 1.466,1252 1.615,1253 1.668,1254 0.802,1255 1.674,1256 1.248,1257 1.235,1258 1.181,1259 1.413,1260 0.517,1261 1.452,1262 0.958,1263 0.937,1264 1.179,1265 1.241,1266 0.258,1267 1.209,1268 0.886,1269 0.821,1270 1.158,1271 1.076,1272 0.218,1273 1.107,1274 4.205,1276 5.509,1278 6.991,1280 8.553,1282 10.158,1285 5.811,1289 8.98,1290 0.888,1291 2.566,1292 5.833,1300 34.899,1301 92.467,1302 193.085,1303 238.384,1304 274.423,1305 276.423,1306 278.423,1307 82.902,1308 7.251,1309 105.59,1310 113.97,1311 18,1312 12.355,1313 4.459,1314 3.7,1315 58.064,1316 137,1317 147,1318 0.197,1319 223.381,1320 392.65,1321 536.811,1322 13874,1323 1.9,1324 22.269,1325 0.718,1326 0.583,1327 23.019,1328 18.065,1329 14.815,1330 0.449,1331 0.344,1332 9.534,1333 13.193,1334 9.195,1335 7.594,1336 15.924,1337 11.356,1338 13.854,1339 0.308,1340 0.199,1341 15.585,1342 8.975,1343 10.098,1344 0.194,1345 0.117,1346 11.494,1347 6.082,1348 7.922,1349 0.126,1350 0.064,1351 8.944,1352 4.056,1353 6.286,1354 0.082,1355 0.038,1356 7.244,1357 2.917,1358 0.314,1359 104.172,1360 0.215,1361 29.499,1362 0.529,1363 156,1364 544.134,1365 224.118,1366 569.753,1367 741.44,1368 522,1369 175,1370 475.455,1371 242.016,1372 523.621,1373 750.02,1374 490,1375 7.432} {0 CHEMBL117561,1 1.707,2 12.594,3 4.48,4 20.069,5 125.1,6 8.564,7 0.529,8 4.089,9 4.177,10 3.892,11 3.728,12 5.242,13 3.676,14 4.594,15 4.724,16 4.181,17 4.102,18 5.977,19 4.029,20 4.869,21 5.038,22 4.207,23 4.257,24 6.033,25 4.145,26 4.944,27 5.136,28 4.104,29 4.223,30 6.114,31 4.107,32 4.918,33 5.124,34 4.159,35 4.207,36 6.029,37 4.094,38 4.923,39 5.121,40 4.185,41 4.213,42 6.106,43 4.097,44 4.961,45 5.194,46 4.084,47 4.184,48 6.011,49 4.056,50 4.927,51 5.148,52 4.085,53 4.127,54 6.084,55 4.011,56 0.119,57 0.741,58 11.701,59 5.422,60 25.503,61 6.063,62 0.427,63 1.174,64 19.207,65 8.905,66 78.861,67 10.592,68 0.396,69 1.487,70 33.313,71 12.86,72 73.167,73 14.713,74 0.535,75 1.572,76 36.854,77 13.498,78 104.7,79 15.576,80 0.453,81 1.549,82 33.651,83 12.602,84 82.969,85 15.345,86 0.516,87 1.541,88 33.704,89 13.078,90 90.094,91 16.091,92 0.413,93 1.597,94 35.143,95 13.599,96 83.185,97 17.348,98 0.52,99 1.554,100 38.29,101 13.087,102 100.606,103 15.489,104 40,105 47,106 0.279,107 0.607,108 0.765,109 0.872,110 0.878,111 0.884,112 3.502,113 1.041,114 -4.31,115 -4.25,116 -4.01,118 43.6,120 3,124 1,132 1,134 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 16,207 2,210 6,215 4,218 15,219 2,222 10,227 6,229 11,230 3,234 10,239 6,242 10,243 2,247 9,252 3,253 1,255 10,256 1,259 7,260 1,262 2,263 1,264 2,267 11,268 1,270 2002,271 20.955,272 20.955,273 20.955,274 20.955,275 20.955,276 18.233,277 13.076,278 12.449,279 21.332,280 16.773,281 16.773,282 16.773,283 16.773,284 16.773,285 12.529,286 8.063,287 5.948,288 17.442,289 4.074,290 2.062,291 1.092,292 0.436,293 0.4,294 0.364,295 4.18,297 1,299 1,300 1,301 842,302 4.472,306 364.063,313 1.744,314 44.325,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.8,325 69.333,326 403,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.064,336 4.383,337 3.6,338 6.418,339 4.021,340 3.023,341 4.007,343 9.822,344 3.018,345 4.01,346 3.073,347 5.671,348 3.633,349 2.636,350 3.568,352 7.873,353 2.627,354 3.835,355 2.898,356 5.15,357 3.315,358 2.401,359 3.393,361 6.323,362 2.253,363 3.571,364 2.749,365 5.067,366 3.263,367 2.262,368 2.828,370 6.107,371 2.158,372 3.453,373 2.402,374 5.034,375 3.05,376 2.061,377 2.737,379 5.878,380 2.035,381 3.333,382 2.088,383 4.729,384 2.97,385 1.973,386 2.556,388 4.989,389 1.956,390 3.081,391 1.884,392 4.592,393 2.578,394 1.642,395 2.289,397 4.754,398 1.466,399 2.901,400 1.471,401 3.87,402 2.416,403 1.445,404 2.063,406 3.251,407 1.4,408 2.5,409 1.29,410 3.518,411 2.054,412 1.091,413 1.5,415 2.448,416 1.044,417 2.5,418 1.055,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.359,427 1,428 3.328,429 1.957,430 1,431 1.232,433 2.136,434 0.954,435 2.243,436 1,437 3.247,438 1.693,439 0.701,440 1.08,442 1.734,443 0.694,444 1.778,445 0.702,446 3,447 1.547,448 0.543,449 0.631,451 1.234,452 0.54,453 1.146,454 0.609,455 2.979,456 0.901,457 -0.061,458 -0.07,460 -0.156,461 -0.055,462 15.681,463 0.49,464 0.93,465 0.029,466 43,467 1.344,468 24,469 0.75,470 19,471 0.594,472 26.27,473 0.821,474 34.119,475 0.62,476 35.993,477 1.125,478 8.441,479 0.264,480 6.801,481 0.213,482 0.162,483 0.053,484 0.255,487 0.58,488 1.155,489 0.717,490 1.076,491 0.71,492 0.885,493 0.491,494 1.021,495 0.778,496 0.937,497 0.467,498 0.955,499 0.942,500 1.094,501 1.134,502 1.135,503 0.905,504 1.085,505 1.095,506 1.07,507 1.085,508 1.08,509 1.138,510 1.082,511 0.86,512 0.998,513 0.662,514 0.861,515 0.916,516 0.987,517 0.619,518 1.13,519 0.816,520 1.104,521 0.669,522 1.113,523 0.708,524 1.018,525 0.692,526 0.899,527 0.738,528 0.959,529 1.032,530 0.984,531 0.978,532 0.987,533 0.933,534 0.947,535 8,536 0.289,537 3.778,538 2.25,539 1.507,540 1.201,541 0.731,542 0.524,543 0.403,544 0.354,545 13856,546 47875,547 1.986,548 41.8,549 2,550 13,552 2,553 2,554 2,555 2,558 1.748,559 1.837,560 3.599,561 0.208,563 1,567 93.894,568 1.707,569 3.72,570 4.69,571 5.345,572 5.381,573 5.418,574 3.005,575 4.438,576 4.97,577 3.777,578 1873.2,579 8.714,580 28381.8,585 317.975,586 1.594,587 4.91,588 0.235,589 0.008,590 0.08,591 0.048,592 0.035,593 0.028,594 0.017,595 0.013,596 0.01,597 0.01,598 0.484,599 0.17,600 0.88,601 1.078,602 169.449,603 0.034,604 -0.034,605 0.122,606 -0.02,607 -0.134,608 0.043,609 0.256,610 0.055,611 0.02,612 0.024,613 0.261,614 -0.028,615 -0.119,616 -0.078,617 -0.146,618 -0.092,619 -0.076,620 -0.099,621 -0.16,622 -0.08,623 -0.162,624 -0.084,625 -0.138,626 -0.1,627 -0.066,628 -0.009,629 0.077,630 0.045,631 -0.075,632 -0.011,633 0.13,634 -0.156,635 0.033,636 -0.152,637 0.079,638 -0.116,639 0.022,640 -0.064,641 0.116,642 0.026,643 0.001,644 0.058,645 -0.093,646 0.022,647 -0.008,648 0.01,649 -0.03,650 0.049,651 4.577,652 5.498,653 0.563,654 35.063,655 1.012,656 1.114,657 3.079,658 9.482,659 0.704,660 3.555,661 3.871,662 4.043,663 4.22,664 4.431,665 4.466,666 4.511,667 4.543,668 4.615,669 4.682,670 7.521,671 0.667,672 471.01,673 3.555,674 5.094,675 5.911,676 6.774,677 7.612,678 8.48,679 9.327,680 10.197,681 11.048,682 11.92,683 3.6,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 55,726 22,727 2,728 34,730 57,731 24,733 17,734 5,735 7,736 2,739 3,740 3,741 1,751 3,753 20,754 4,756 4,757 1,760 1,761 3,765 2,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,820 1,823 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 4,847 1,861 1,862 7.3,864 1,865 3,869 17.417,870 9.626,871 7.014,872 3.094,874 2.91,875 1.399,876 0.963,877 7.946,878 10.21,879 3.871,880 4.472,881 4.933,882 5.416,883 5.929,884 6.069,885 6.305,886 6.414,887 6.717,888 7.009,889 1,890 47,891 12.057,893 5.336,894 8.058,895 22.108,897 18.034,899 2.558,900 81.861,904 247.193,905 156.554,906 33.191,907 39.149,908 112.141,910 5.807,911 150.746,912 398.483,913 33.191,915 25.476,916 107.499,917 153.379,918 39.074,920 223.651,921 39.149,922 247.193,923 183.937,924 112.141,925 44.956,927 223.651,928 135.683,931 44.209,932 122.942,933 61.742,935 247.193,936 145.332,937 195.702,939 5.807,940 247.193,941 31.598,942 103.381,943 16.405,944 183.842,945 247.193,946 145.332,947 195.702,949 0.583,950 0.317,951 0.155,952 0.089,953 20,954 10,955 0.175,956 10,958 1,959 4.26,960 276.016,962 18,963 152,967 1,968 23.837,969 10.667,970 6.84,972 145.332,973 18.831,974 4.123,978 4.039,980 59.088,981 588.227,982 47,983 4.16,986 -3.66,987 36.021,991 -0.114,994 55.633,995 61.265,996 0.295,997 0.643,998 0.811,999 0.925,1000 0.931,1001 0.937,1002 5.097,1003 1.642,1004 5.922,1005 4.989,1006 4.554,1007 5.159,1008 2.258,1009 6.725,1010 4.481,1011 6.331,1012 1.445,1013 7.488,1014 4.754,1015 4.29,1016 5.182,1017 2.243,1018 7.865,1019 4.126,1020 7.667,1021 1.091,1022 9.17,1023 3.251,1024 6.188,1025 7.424,1026 3.628,1027 10.863,1028 6.032,1029 9.044,1030 1,1031 10.924,1032 2.448,1033 6.723,1034 8.251,1035 4.112,1036 12.868,1037 6.458,1038 10.456,1039 1,1040 12.73,1041 2.275,1042 8.153,1043 10.037,1044 5.201,1045 15.489,1046 7.882,1047 11.896,1048 0.701,1049 14.573,1050 2.136,1051 9.046,1052 11.228,1053 5.889,1054 17.816,1055 8.665,1056 13.358,1057 0.543,1058 16.446,1059 1.734,1060 10.309,1061 12.849,1062 6.849,1063 20.343,1064 9.898,1065 3.374,1066 -0.061,1067 18.34,1068 1.234,1069 11.368,1070 14.216,1071 7.625,1072 22.785,1073 10.852,1074 3.023,1075 12.404,1076 20.253,1077 -0.156,1078 12.575,1079 15.775,1080 8.526,1081 25.292,1082 12.006,1083 2.636,1084 9.822,1085 22.179,1086 4.697,1087 13.708,1088 17.227,1089 9.342,1090 27.776,1091 13.041,1092 2.401,1093 7.873,1094 24.116,1095 4.007,1096 14.9,1097 18.765,1098 10.216,1099 30.282,1100 14.164,1101 2.262,1102 6.323,1103 26.062,1104 3.568,1105 16.068,1106 20.26,1107 11.051,1108 32.783,1109 15.237,1110 2.061,1111 6.107,1112 28.015,1113 3.393,1114 17.26,1115 21.794,1116 11.912,1117 35.292,1118 16.35,1119 1.973,1120 5.878,1121 29.974,1122 2.828,1123 18.445,1124 23.31,1125 12.755,1126 37.801,1127 17.441,1128 13634,1129 25536,1130 21.959,1131 38.71,1132 50.876,1133 52.222,1134 51.683,1135 50.563,1136 50.302,1137 68.161,1138 4.682,1139 142.459,1140 48.418,1141 5.749,1142 6.683,1143 7.095,1144 5.34,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.064,1150 18.628,1151 1.496,1152 1.536,1153 1.52,1154 1.487,1155 1.479,1156 2.005,1157 0.138,1158 4.19,1159 1.424,1160 4.087,1161 4.082,1162 4.736,1163 4.07,1164 7.717,1165 3.999,1166 3.998,1167 4.004,1168 3.964,1169 3.96,1170 7.474,1171 3.936,1172 3.831,1173 3.869,1174 3.924,1175 3.743,1176 6.999,1177 3.744,1178 3.666,1179 3.686,1180 3.764,1181 3.583,1182 6.351,1183 3.521,1184 3.579,1185 3.596,1186 3.499,1187 3.416,1188 4.961,1189 3.417,1190 3.379,1191 3.41,1192 3.292,1193 3.279,1194 4.924,1195 3.258,1196 3.236,1197 3.27,1198 3.169,1199 3.075,1200 4.727,1201 3.072,1202 2.957,1203 3,1204 3.115,1205 2.739,1206 4.463,1207 2.75,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.069,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.064,1226 2.003,1227 1.986,1228 2.1,1229 2.074,1230 1.32,1231 2.093,1232 1.948,1233 1.954,1234 1.955,1235 2.009,1236 1.175,1237 2.045,1238 1.818,1239 1.784,1240 1.94,1241 1.933,1242 1.072,1243 1.939,1244 1.588,1245 1.557,1246 1.797,1247 1.778,1248 1.012,1249 1.791,1250 1.497,1251 1.479,1252 1.663,1253 1.681,1254 0.813,1255 1.69,1256 1.337,1257 1.32,1258 1.475,1259 1.473,1260 0.533,1261 1.511,1262 1.185,1263 1.152,1264 1.181,1265 1.378,1266 0.416,1267 1.398,1268 0.886,1269 0.843,1270 1.179,1271 1.172,1272 0.247,1273 1.163,1274 4.234,1276 5.549,1278 7.047,1280 8.625,1282 10.247,1285 5.828,1289 9.046,1290 0.992,1291 2.596,1300 36.711,1301 93.894,1302 204.585,1303 257.936,1304 293.975,1305 295.975,1306 297.975,1307 88.727,1308 7.3,1309 96.36,1310 104.74,1311 18,1312 12.466,1313 4.524,1314 3.807,1315 60.997,1316 141,1317 156,1318 0.202,1319 235.642,1320 415.82,1321 566.728,1322 14493,1323 1.8,1324 23.14,1325 0.723,1326 0.59,1327 23.89,1328 18.864,1329 15.242,1330 0.448,1331 0.347,1332 10.007,1333 13.745,1334 9.615,1335 7.964,1336 16.352,1337 11.801,1338 14.265,1339 0.304,1340 0.201,1341 15.997,1342 9.457,1343 10.783,1344 0.193,1345 0.118,1346 12.179,1347 6.597,1348 8.223,1349 0.123,1350 0.065,1351 9.245,1352 4.369,1353 6.622,1354 0.08,1355 0.038,1356 7.58,1357 3.193,1358 0.32,1359 105.92,1360 0.213,1361 30.136,1362 0.547,1363 162,1364 516.398,1365 225.911,1366 553.533,1367 721.88,1368 506,1369 184,1370 460.182,1371 246.974,1372 515.672,1373 738.26,1374 482,1375 7.276} {0 CHEMBL117652,1 1.568,2 8.087,3 1.872,4 3.506,5 89.718,6 7.265,7 0.6,8 3.862,9 3.989,10 3.408,11 3.339,12 4.982,13 3.331,14 4.389,15 4.589,16 3.746,17 3.734,18 5.506,19 3.706,20 4.562,21 4.755,22 3.693,23 3.885,24 5.545,25 3.798,26 4.718,27 4.961,28 3.684,29 3.939,30 5.628,31 3.817,32 4.66,33 4.903,34 3.704,35 3.896,36 5.568,37 3.785,38 4.65,39 4.887,40 3.728,41 3.826,42 5.664,43 3.747,44 4.586,45 4.822,46 3.544,47 3.709,48 5.612,49 3.614,50 4.578,51 4.854,52 3.318,53 3.545,54 5.59,55 3.423,56 0.031,57 0.658,58 9.176,59 3.542,60 8.499,61 4.965,62 0.318,63 1.034,64 17.382,65 5.398,66 37.158,67 8.04,68 0.204,69 1.161,70 20.471,71 7.68,72 30.892,73 10.784,74 0.377,75 1.269,76 25.391,77 9.06,78 38.312,79 13.221,80 0.155,81 1.211,82 23.514,83 8.924,84 23.352,85 13.013,86 0.271,87 1.181,88 23.738,89 7.824,90 29.089,91 11.44,92 0.235,93 1.084,94 22.281,95 6.902,96 32.5,97 10.299,98 0.517,99 0.958,100 24.008,101 6.567,102 54.245,103 9.922,104 23,105 35,106 0.273,107 0.648,108 0.823,109 0.85,110 0.85,111 0.85,112 3.189,113 0.901,114 -2.71,115 -2.73,116 -2.65,118 39.5,120 1,123 2,124 2,140 3,141 2,142 1,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 8,175 1,177 1,180 3,186 5,187 1,194 3,197 2,198 3,201 1,206 4,209 1,210 2,218 2,219 3,221 2,222 6,227 3,230 2,234 4,235 1,239 2,246 2,247 2,248 1,250 1,258 1,260 1,262 1,270 744,271 15.292,272 15.292,273 15.292,274 15.292,275 15.292,276 13.366,277 20.952,278 9.058,279 15.681,280 12.36,281 12.36,282 12.36,283 12.36,284 12.36,285 9.366,286 29.515,287 4.339,288 12.973,289 3.859,290 1.708,291 0.704,292 0.547,293 0.547,294 0.547,295 3.866,298 1,299 1,300 1,301 390,302 3.464,305 106.931,306 58.206,309 90.595,313 1.316,314 16.698,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 50,326 186,327 4.662,328 3.6,329 6.77,330 4.196,331 3.225,332 4.627,333 2.341,334 11.159,335 3.134,336 3.952,337 3.314,338 5.904,339 3.61,340 2.668,341 3.494,342 0.8,343 8.145,344 2.513,345 3.894,346 2.918,347 5.638,348 3.469,349 2.548,350 3.31,351 0.522,352 7.561,353 2.35,354 3.569,355 2.698,356 5.279,357 3.238,358 2.248,359 2.841,361 6.461,362 2.202,363 3.423,364 2.216,365 4.841,366 2.983,367 2.014,368 2.681,370 5.307,371 1.938,372 3.076,373 1.894,374 4.602,375 2.682,376 1.725,377 2.256,379 4.871,380 1.643,381 2.641,382 1.35,383 3.803,384 2.186,385 1.234,386 1.694,388 2.889,389 1.173,390 2.449,391 1.285,392 3.771,393 2.079,394 1.131,395 1.432,397 2.786,398 1.069,399 2.323,400 1.094,401 3.39,402 1.925,403 0.956,404 1.273,406 2.336,407 0.923,408 2.118,409 0.886,410 3,411 1.554,412 0.618,413 0.927,415 1.372,416 0.577,417 1.708,418 0.618,419 2.947,420 1.437,421 0.456,422 0.537,424 1.046,425 0.442,426 1.083,427 0.377,428 2.7,429 0.731,430 -0.22,431 -0.277,433 -0.615,434 -0.208,435 0.732,436 -0.014,437 2.388,438 0.361,439 -0.613,440 -0.74,442 -1.635,443 -0.586,444 0.707,445 -0.295,446 2.229,447 0.239,448 -0.745,449 -1,451 -2,452 -0.725,453 0.459,454 -0.6,455 2.066,456 0.008,457 -1,458 -1.007,460 -2,461 -0.9,462 10.767,463 0.468,464 0.63,465 0.027,466 29.75,467 1.293,468 14,469 0.609,470 15.75,471 0.685,472 17.164,473 0.746,474 25.233,475 0.587,476 21.539,477 0.936,478 6.14,479 0.267,480 4.902,481 0.213,482 0.155,484 0.344,487 0.861,488 1.638,489 0.809,490 1.219,491 0.709,492 1.037,493 0.866,494 0.901,495 0.869,496 0.729,497 0.399,498 0.757,499 0.972,500 1.193,501 1.147,502 1.186,503 0.952,504 1.197,505 0.656,506 0.932,507 0.996,508 1.009,509 0.689,510 1.054,511 0.469,512 1.132,513 0.817,514 1.14,515 0.421,516 1.056,517 0.905,518 1.045,519 0.927,520 1.04,521 0.817,522 0.99,523 1.1,524 1.222,525 1.146,526 1.208,527 0.908,528 1.177,529 1.312,530 0.752,531 1.114,532 0.805,533 1.419,534 0.909,535 5,536 0.04,537 2.444,538 1.674,539 0.973,540 0.934,541 0.706,542 0.312,543 0.248,544 0.185,545 5117,546 14539,547 2.041,548 46.5,550 13,551 2,552 2,553 1,554 2,558 1.664,559 1.89,560 3.046,561 -0.284,562 1,563 1,565 1,567 67.404,568 1.568,569 3.719,570 4.722,571 4.88,572 4.88,573 4.88,574 2.301,575 4.176,576 4.487,577 3.227,578 816.386,579 7.77,580 9324.15,582 1,584 1,585 233.329,586 1.478,587 4.443,588 0.2,589 0.005,590 0.07,591 0.052,592 0.031,593 0.029,594 0.022,595 0.012,596 0.013,597 0.013,598 0.449,599 0.33,600 1,601 1.335,602 106.314,603 -0.058,604 -0.402,605 0.055,606 -0.139,607 -0.062,608 -0.047,609 0.024,610 0.277,611 0.064,612 0.241,613 0.205,614 0.186,615 -0.169,616 -0.112,617 -0.243,618 -0.135,619 -0.162,620 -0.194,621 0.059,622 0.063,623 -0.061,624 0.008,625 -0.052,626 -0.043,627 0.105,628 -0.153,629 0.1,630 -0.095,631 0.08,632 -0.015,633 -0.001,634 -0.039,635 0.036,636 -0.059,637 0.022,638 -0.012,639 -0.134,640 -0.212,641 -0.178,642 -0.25,643 -0.019,644 -0.219,645 -0.069,646 0.152,647 -0.069,648 0.093,649 -0.137,650 0.023,651 2.451,652 3.883,653 0.609,654 20.885,655 1.003,656 1.133,657 1.479,658 2.188,659 0.652,660 3.258,661 3.584,662 3.829,663 4.111,664 4.317,665 4.511,666 4.7,667 4.771,668 4.736,669 4.691,670 5.363,671 0.622,672 312.41,673 3.258,674 4.796,675 5.638,676 6.521,677 7.394,678 8.288,679 9.178,680 10.078,681 10.977,682 11.882,683 9.3,689 1,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,719 1,724 43,726 16,727 1,728 25,730 45,731 17,733 11,734 3,735 3,739 3,740 4,751 1,753 12,754 5,756 1,761 1,765 1,768 1,769 1,772 20,773 4,774 1,775 6,778 1,779 4,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,836 2,840 23,845 1,846 3,851 1,862 4.7,864 1,865 1,869 12.167,870 8.25,871 5.028,872 2.389,874 2.797,875 1.403,876 0.959,877 4.504,878 9.74,879 3.541,880 4.167,881 4.76,882 5.397,883 5.868,884 6.315,885 6.797,886 7.171,887 7.328,888 7.546,889 0.667,890 32,891 8.465,893 3.518,894 7.797,895 16.171,897 13.046,899 2.297,900 52.833,904 223.651,905 99.298,906 23.708,908 67.828,911 99.298,912 291.479,913 23.708,914 16.793,915 6.746,916 46.524,917 117.684,918 24.485,919 25.686,920 176.567,922 223.651,923 123.006,924 67.828,927 223.651,928 67.828,931 28.21,932 78.01,933 16.786,935 223.651,936 91.536,937 99.298,940 223.651,941 18.315,942 87.905,944 84.614,945 223.651,946 91.536,947 99.298,949 0.582,950 0.319,951 0.168,952 0.094,953 17,954 8,955 0.133,956 6,957 1,958 1.143,959 3.477,960 183.58,961 0.143,962 14,963 102.042,968 15.779,969 6.565,970 3.463,971 2.21,972 87.738,973 13.789,974 4.081,978 2.285,979 4.036,980 42.683,981 414.485,982 33.5,987 10.883,991 -0.784,994 43.131,995 48.734,996 0.289,997 0.685,998 0.87,999 0.899,1000 0.899,1001 0.899,1002 4.769,1003 1.131,1004 5.631,1005 2.889,1006 4.263,1007 4.852,1008 2.404,1009 6.441,1010 4.173,1011 5.988,1012 0.956,1013 7.189,1014 2.786,1015 3.892,1016 4.732,1017 2.283,1018 7.349,1019 3.754,1020 7.301,1021 0.618,1022 8.847,1023 2.336,1024 5.849,1025 7.103,1026 3.644,1027 10.45,1028 5.679,1029 8.654,1030 0.456,1031 10.565,1032 1.372,1033 6.293,1034 7.859,1035 4.117,1036 12.223,1037 6.079,1038 10.04,1039 -0.22,1040 12.321,1041 1.046,1042 7.737,1043 9.699,1044 5.203,1045 14.853,1046 7.497,1047 11.452,1048 -0.613,1049 14.106,1050 -0.615,1051 8.555,1052 10.873,1053 5.89,1054 16.997,1055 8.281,1056 12.884,1057 -0.745,1058 15.912,1059 -1.635,1060 9.805,1061 12.512,1062 6.849,1063 19.474,1064 9.508,1065 3.225,1066 -1,1067 17.735,1068 -2,1069 10.803,1070 13.884,1071 7.625,1072 21.776,1073 10.479,1074 2.668,1075 11.159,1076 19.571,1077 -2,1078 11.983,1079 15.448,1080 8.526,1081 24.205,1082 11.637,1083 2.548,1084 8.145,1085 21.419,1086 4.627,1087 13.066,1088 16.91,1089 9.342,1090 26.572,1091 12.696,1092 2.248,1093 7.561,1094 23.276,1095 3.494,1096 14.225,1097 18.449,1098 10.216,1099 28.986,1100 13.833,1101 2.014,1102 6.461,1103 25.142,1104 3.31,1105 15.349,1106 19.949,1107 11.051,1108 31.379,1109 14.934,1110 1.725,1111 5.307,1112 27.014,1113 2.841,1114 16.505,1115 21.481,1116 11.912,1117 33.791,1118 16.067,1119 1.234,1120 4.871,1121 28.892,1122 2.681,1123 17.649,1124 22.999,1125 12.755,1126 36.194,1127 17.188,1128 5112,1129 8706,1130 16.414,1131 28.023,1132 38.151,1133 38.14,1134 38.291,1135 37.684,1136 37.645,1137 50.144,1138 7.325,1139 107.866,1140 35.928,1141 5.482,1142 5.6,1143 6.384,1144 5.254,1145 5.225,1146 7.627,1147 3.925,1148 18.227,1149 5.134,1150 12.21,1151 1.526,1152 1.526,1153 1.532,1154 1.507,1155 1.506,1156 2.006,1157 0.293,1158 4.315,1159 1.437,1160 4.165,1161 4.201,1162 4.127,1163 4.07,1164 7.474,1165 4.08,1166 3.879,1167 3.945,1168 3.822,1169 3.672,1170 6.351,1171 3.701,1172 3.664,1173 3.723,1174 3.568,1175 3.477,1176 4.982,1177 3.49,1178 3.527,1179 3.575,1180 3.43,1181 3.322,1182 4.874,1183 3.336,1184 3.247,1185 3.315,1186 3.089,1187 3.088,1188 4.378,1189 3.078,1190 3.087,1191 3.137,1192 2.972,1193 2.836,1194 4.025,1195 2.861,1196 2.874,1197 3.009,1198 2.605,1199 2.618,1200 3.865,1201 2.601,1202 2.774,1203 2.854,1204 2.552,1205 2.614,1206 3.557,1207 2.57,1208 0.186,1209 0.144,1210 0.271,1211 0.168,1212 0.129,1213 4.662,1214 0.185,1215 3.6,1216 0.094,1217 6.77,1218 0.446,1219 4.196,1220 0.125,1221 3.225,1222 4.627,1223 2.341,1224 11.159,1225 3.134,1226 1.958,1227 1.932,1228 2.044,1229 2.058,1230 1.24,1231 2.056,1232 1.722,1233 1.667,1234 1.884,1235 1.922,1236 1.14,1237 1.913,1238 1.563,1239 1.503,1240 1.776,1241 1.801,1242 0.952,1243 1.796,1244 1.403,1245 1.321,1246 1.674,1247 1.653,1248 0.776,1249 1.661,1250 1.324,1251 1.272,1252 1.502,1253 1.531,1254 0.552,1255 1.524,1256 1.237,1257 1.172,1258 1.417,1259 1.5,1260 0.469,1261 1.468,1262 0.955,1263 0.907,1264 1.395,1265 1.239,1266 0.39,1267 1.308,1268 0.934,1269 0.804,1270 1.171,1271 1.203,1272 0.261,1273 1.198,1274 3.932,1276 5.252,1277 3.045,1278 6.744,1279 5.352,1280 8.323,1281 7.413,1282 9.959,1284 4.024,1289 8.946,1290 1.3,1295 2.065,1300 26.73,1301 67.404,1302 159.903,1303 203.065,1304 209.82,1305 209.82,1306 209.82,1307 33.702,1308 6.942,1309 63.29,1310 63.29,1311 16,1312 12.402,1313 4.087,1314 3.248,1315 36.512,1316 72,1317 72,1318 0.253,1319 166.338,1320 275.98,1321 397.625,1322 8072,1324 16.397,1325 0.713,1326 0.579,1327 16.397,1328 13.307,1329 11.042,1330 0.442,1331 0.3,1332 7.372,1333 10.507,1334 7.128,1335 5.949,1336 11.042,1337 7.51,1338 10.258,1339 0.293,1340 0.166,1341 10.258,1342 5.822,1343 7.981,1344 0.177,1345 0.088,1346 7.981,1347 3.942,1348 6.559,1349 0.109,1350 0.046,1351 6.559,1352 2.741,1353 5.079,1354 0.069,1355 0.025,1356 5.079,1357 1.857,1358 0.383,1359 69.836,1360 0.247,1361 22.282,1362 0.738,1363 120,1364 352.466,1365 132.116,1366 341.575,1367 461.32,1368 318,1369 140,1370 335.878,1371 152.178,1372 343.701,1373 493.89,1374 319,1375 7.086} {0 CHEMBL117752,1 1.681,2 11.345,3 2.612,4 6.824,5 110.853,6 7.953,7 0.548,8 4.042,9 4.141,10 3.796,11 3.617,12 5.152,13 3.575,14 4.568,15 4.719,16 4.048,17 3.993,18 5.917,19 3.925,20 4.814,21 5.004,22 3.995,23 4.117,24 5.903,25 3.993,26 4.896,27 5.119,28 3.948,29 4.076,30 5.993,31 3.96,32 4.8,33 4.999,34 3.94,35 4.05,36 5.929,37 3.948,38 4.868,39 5.103,40 3.917,41 4.056,42 5.894,43 3.936,44 4.853,45 5.096,46 3.949,47 4.021,48 5.888,49 3.907,50 4.821,51 5.04,52 3.889,53 3.956,54 5.953,55 3.844,56 0.117,57 0.767,58 12.806,59 5.13,60 22.08,61 5.994,62 0.478,63 1.212,64 20.668,65 8.36,66 76.641,67 10.299,68 0.357,69 1.437,70 31.149,71 11.864,72 66.202,73 14.264,74 0.545,75 1.478,76 35.772,77 12.067,78 95.974,79 14.858,80 0.371,81 1.386,82 27.822,83 10.661,84 68.056,85 13.447,86 0.433,87 1.462,88 32.71,89 11.499,90 69.741,91 14.925,92 0.43,93 1.43,94 31.334,95 11.098,96 67.52,97 14.581,98 0.606,99 1.374,100 34.836,101 10.824,102 90.087,103 13.271,104 20,105 42,106 0.279,107 0.604,108 0.757,109 0.851,110 0.875,111 0.881,112 3.408,113 1.04,114 -3.38,115 -3.37,116 -3.22,118 40.4,120 3,124 2,140 8,141 3,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 13,169 1,171 2,172 2,175 3,177 2,180 15,181 1,186 7,191 4,194 11,195 1,198 10,203 5,206 5,207 2,210 11,215 5,218 4,219 2,222 9,227 4,229 4,230 2,234 9,235 1,237 1,239 3,242 7,246 1,247 5,250 1,253 1,255 9,258 2,259 2,260 1,262 2,263 1,267 10,270 1549,271 19.247,272 19.247,273 19.247,274 19.247,275 19.247,276 16.709,277 19.857,278 11.673,279 19.6,280 15.362,281 15.362,282 15.362,283 15.362,284 15.362,285 11.481,286 23.921,287 5.621,288 15.938,289 4.02,290 2.054,291 1.135,292 0.567,293 0.423,294 0.385,295 4.087,299 1,300 1,301 692,302 4.183,305 89.48,306 221.23,313 1.667,314 37.576,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 63.5,326 329,327 4.842,328 4.683,329 7.292,330 4.289,331 3.372,332 4.694,333 2.341,334 12.402,335 3.062,336 4.223,337 3.6,338 5.833,339 3.849,340 2.858,341 3.86,342 0.522,343 8.483,344 2.836,345 3.909,346 3.059,347 5.415,348 3.465,349 2.531,350 3.467,352 7.207,353 2.366,354 3.57,355 2.705,356 5.042,357 3.265,358 2.264,359 3.053,361 6.11,362 2.246,363 3.555,364 2.404,365 4.924,366 3.064,367 2.071,368 2.757,370 5.617,371 2.051,372 3.348,373 2.16,374 4.861,375 2.998,376 2,377 2.594,379 5.372,380 1.991,381 3.292,382 2.055,383 4.587,384 2.912,385 1.923,386 2.529,388 4.973,389 1.892,390 2.709,391 1.543,392 3.713,393 2.259,394 1.287,395 1.787,397 2.874,398 1.245,399 2.573,400 1.231,401 3.427,402 2.08,403 1.15,404 1.602,406 2.548,407 1.067,408 2.5,409 1.116,410 3.384,411 2,412 1.026,413 1.5,415 2.335,416 1,417 2.249,418 1.042,419 3.247,420 2,421 1,422 1.203,424 2.136,425 0.997,426 2.118,427 1,428 3,429 1.559,430 0.618,431 0.927,433 1.372,434 0.577,435 1.779,436 0.618,437 3,438 1.554,439 0.554,440 0.636,442 1.249,443 0.551,444 1.187,445 0.419,446 2.912,447 0.896,448 -0.08,449 -0.093,451 -0.211,452 -0.078,453 1.109,454 0.244,455 2.743,456 0.822,457 -0.143,458 -0.178,460 -0.408,461 -0.137,462 13.867,463 0.478,464 0.751,465 0.026,466 38.5,467 1.328,468 20.5,469 0.707,470 18,471 0.621,472 22.585,473 0.779,474 31.733,475 0.61,476 30.027,477 1.035,478 7.604,479 0.262,480 6.317,481 0.218,482 0.096,483 0.06,484 0.209,487 0.626,488 1.346,489 0.832,490 1.222,491 0.683,492 0.969,493 0.547,494 1.008,495 0.919,496 0.988,497 0.459,498 1.007,499 0.907,500 1.163,501 1.216,502 1.239,503 0.899,504 1.185,505 1.112,506 0.971,507 1.111,508 1,509 1.107,510 0.975,511 0.973,512 1.154,513 0.964,514 1.062,515 0.964,516 1.128,517 0.852,518 0.992,519 0.927,520 0.957,521 0.744,522 0.982,523 0.823,524 0.907,525 0.772,526 0.853,527 0.778,528 0.906,529 1.144,530 1.026,531 1.239,532 1.115,533 1.145,534 1.024,535 7,536 0.235,537 2.444,538 1.972,539 0.977,540 0.841,541 0.58,542 0.433,543 0.334,544 0.262,545 10954,546 34710,547 2.025,548 44.2,549 2,550 12,551 1,552 2,553 2,554 2,555 2,558 1.722,559 1.902,560 3.481,561 0.262,562 1,563 1,567 87.387,568 1.681,569 3.647,570 4.565,571 5.133,572 5.277,573 5.316,574 2.85,575 4.237,576 4.829,577 3.679,578 1493.84,579 8.427,580 21310.9,582 1,584 1,585 296.423,586 1.459,587 4.784,588 0.226,589 0.008,590 0.058,591 0.052,592 0.026,593 0.023,594 0.016,595 0.012,596 0.01,597 0.008,598 0.44,599 0.33,600 1,601 1.064,602 149.091,603 0.034,604 -0.148,605 0.187,606 -0.058,607 -0.113,608 0.024,609 0.252,610 0.122,611 -0.013,612 0.017,613 0.263,614 -0.051,615 -0.102,616 -0.149,617 -0.17,618 -0.153,619 -0.077,620 -0.169,621 -0.143,622 -0.008,623 -0.074,624 0.013,625 -0.097,626 0.023,627 -0.108,628 -0.172,629 -0.098,630 -0.119,631 -0.067,632 -0.146,633 -0.058,634 -0.027,635 0.01,636 -0.001,637 -0.002,638 0.021,639 -0.008,640 0.048,641 0.133,642 0.068,643 -0.01,644 0.088,645 -0.078,646 -0.036,647 -0.115,648 -0.073,649 -0.116,650 -0.042,651 4.47,652 5.359,653 0.586,654 30.606,655 1.01,656 1.123,657 2.153,658 4.635,659 0.675,660 3.466,661 3.761,662 3.912,663 4.111,664 4.22,665 4.263,666 4.369,667 4.419,668 4.5,669 4.511,670 7.125,671 0.642,672 413.54,673 3.466,674 4.99,675 5.796,676 6.653,677 7.477,678 8.338,679 9.17,680 10.033,681 10.87,682 11.734,683 5.8,685 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,724 52,726 20,727 2,728 31,730 54,731 21,733 15,734 4,735 8,739 3,740 3,751 3,753 16,754 5,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 1,778 1,779 3,784 1,785 4,801 1,802 2,818 1,830 1,832 3,834 1,840 29,844 1,845 1,846 5,847 1,862 7.7,864 1,865 3,869 15.25,870 8.933,871 6.375,872 2.944,874 2.654,875 1.376,876 0.963,877 7.074,878 9.72,879 3.773,880 4.36,881 4.778,882 5.273,883 5.626,884 5.765,885 6.076,886 6.253,887 6.563,888 6.758,889 1,890 38,891 10.947,893 4.829,894 8.026,895 20.237,897 16.523,899 2.526,900 73.25,903 1,904 247.193,905 132.163,906 35.09,908 112.141,910 5.807,911 126.356,912 359.334,913 35.09,915 11.815,916 107.07,917 161.997,918 22.054,919 11.771,920 211.88,922 247.193,923 161.445,924 112.141,925 5.807,927 223.651,928 135.683,931 47.785,932 96.875,933 22.593,935 247.193,936 147.231,937 132.163,939 5.807,940 247.193,941 23.832,942 104.423,943 16.405,944 128.927,945 247.193,946 147.231,947 132.163,949 0.575,950 0.307,951 0.158,952 0.081,953 18,954 8,955 0.185,956 10,958 1,959 4.115,960 237.403,962 17,963 134.881,967 1,968 21.094,969 9.725,970 6.448,972 145.332,973 19.465,974 4.037,978 3.132,979 1.929,980 59.088,981 526.587,982 42.5,986 -3.553,987 35.644,991 -0.845,994 52.527,995 58.405,996 0.295,997 0.64,998 0.801,999 0.9,1000 0.926,1001 0.933,1002 4.985,1003 1.287,1004 5.79,1005 4.973,1006 4.443,1007 5.047,1008 2.313,1009 6.569,1010 4.37,1011 6.205,1012 1.15,1013 7.334,1014 2.874,1015 4.111,1016 5.027,1017 2.243,1018 7.695,1019 3.95,1020 7.532,1021 1.026,1022 8.996,1023 2.548,1024 6.052,1025 7.298,1026 3.632,1027 10.681,1028 5.874,1029 8.903,1030 1,1031 10.737,1032 2.335,1033 6.553,1034 8.125,1035 4.112,1036 12.715,1037 6.246,1038 10.312,1039 0.618,1040 12.536,1041 2.136,1042 7.999,1043 9.91,1044 5.202,1045 15.332,1046 7.671,1047 11.75,1048 0.554,1049 14.378,1050 1.372,1051 8.881,1052 11.119,1053 5.889,1054 17.692,1055 8.412,1056 13.212,1057 -0.08,1058 16.254,1059 1.249,1060 10.152,1061 12.735,1062 6.849,1063 20.227,1064 9.639,1065 3.372,1066 -0.143,1067 18.156,1068 -0.211,1069 11.211,1070 14.121,1071 7.625,1072 22.694,1073 10.563,1074 2.858,1075 12.402,1076 20.077,1077 -0.408,1078 12.424,1079 15.679,1080 8.526,1081 25.212,1082 11.709,1083 2.531,1084 8.483,1085 22.015,1086 4.694,1087 13.563,1088 17.147,1089 9.342,1090 27.712,1091 12.723,1092 2.264,1093 7.207,1094 23.964,1095 3.86,1096 14.762,1097 18.688,1098 10.216,1099 30.229,1100 13.838,1101 2.071,1102 6.11,1103 25.922,1104 3.467,1105 15.936,1106 20.194,1107 11.051,1108 32.74,1109 14.897,1110 2,1111 5.617,1112 27.887,1113 3.053,1114 17.135,1115 21.731,1116 11.912,1117 35.256,1118 16.001,1119 1.923,1120 5.372,1121 29.857,1122 2.757,1123 18.327,1124 23.255,1125 12.755,1126 37.772,1127 17.082,1128 10702,1129 19194,1130 20.455,1131 35.097,1132 45.69,1133 46.481,1134 45.471,1135 45.339,1136 45.306,1137 61.216,1138 5.725,1139 125.358,1140 43.763,1141 5.746,1142 6.683,1143 7.094,1144 5.337,1145 5.372,1146 7.694,1147 3.925,1148 19.546,1149 5.062,1150 14.245,1151 1.474,1152 1.499,1153 1.467,1154 1.463,1155 1.461,1156 1.975,1157 0.185,1158 4.044,1159 1.412,1160 4.085,1161 4.091,1162 4.735,1163 4.064,1164 7.717,1165 3.985,1166 4.001,1167 4.018,1168 3.96,1169 3.933,1170 7.474,1171 3.917,1172 3.843,1173 3.896,1174 3.781,1175 3.658,1176 6.999,1177 3.684,1178 3.66,1179 3.687,1180 3.676,1181 3.56,1182 6.351,1183 3.506,1184 3.573,1185 3.589,1186 3.494,1187 3.408,1188 4.962,1189 3.405,1190 3.332,1191 3.363,1192 3.229,1193 3.2,1194 4.72,1195 3.176,1196 3.11,1197 3.152,1198 2.994,1199 2.92,1200 4.678,1201 2.931,1202 2.893,1203 2.957,1204 2.733,1205 2.735,1206 4.081,1207 2.715,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.842,1214 0.151,1215 4.683,1216 0.076,1217 7.292,1218 0.4,1219 4.289,1220 0.099,1221 3.372,1222 4.694,1223 2.341,1224 12.402,1225 3.062,1226 1.986,1227 1.974,1228 2.093,1229 2.071,1230 1.333,1231 2.092,1232 1.947,1233 1.939,1234 1.996,1235 2.014,1236 1.176,1237 2.047,1238 1.59,1239 1.557,1240 1.8,1241 1.801,1242 1.074,1243 1.8,1244 1.58,1245 1.526,1246 1.76,1247 1.781,1248 1,1249 1.792,1250 1.438,1251 1.419,1252 1.566,1253 1.636,1254 0.716,1255 1.642,1256 1.301,1257 1.247,1258 1.46,1259 1.525,1260 0.537,1261 1.515,1262 1.228,1263 1.187,1264 1.199,1265 1.414,1266 0.431,1267 1.447,1268 0.953,1269 0.915,1270 1.185,1271 1.224,1272 0.26,1273 1.207,1274 4.143,1276 5.442,1277 2.398,1278 6.913,1279 4.443,1280 8.464,1281 6.26,1282 10.063,1289 8.971,1290 1.849,1291 2.621,1300 33.379,1301 87.387,1302 189.64,1303 237.403,1304 266.913,1305 274.423,1306 276.423,1307 70.595,1308 7.066,1309 101.29,1310 109.67,1311 17,1312 12.287,1313 4.392,1314 3.644,1315 52.302,1316 121,1317 118,1318 0.202,1319 211.182,1320 364.99,1321 507.043,1322 10793,1324 20.692,1325 0.714,1326 0.575,1327 20.942,1328 16.678,1329 13.921,1330 0.449,1331 0.347,1332 9.271,1333 12.634,1334 8.954,1335 7.426,1336 14.742,1337 10.745,1338 12.878,1339 0.307,1340 0.203,1341 14.202,1342 8.514,1343 9.438,1344 0.193,1345 0.12,1346 10.545,1347 5.9,1348 7.588,1349 0.126,1350 0.069,1351 8.461,1352 4.127,1353 5.511,1354 0.082,1355 0.041,1356 6.208,1357 2.73,1358 0.32,1359 95.429,1360 0.221,1361 27.868,1362 0.544,1363 146,1364 469.84,1365 196.528,1366 473.972,1367 623.44,1368 434,1369 164,1370 411.136,1371 219.908,1372 454.114,1373 647.46,1374 423,1375 7.745} {0 CHEMBL117816,1 1.681,2 18.386,3 3.962,4 15.701,5 165.291,6 8.063,7 0.583,8 4.432,9 4.532,10 4.159,11 3.999,12 5.576,13 3.972,14 4.949,15 5.101,16 4.444,17 4.368,18 6.231,19 4.324,20 5.19,21 5.378,22 4.482,23 4.497,24 6.303,25 4.425,26 5.272,27 5.478,28 4.451,29 4.484,30 6.398,31 4.409,32 5.229,33 5.425,34 4.457,35 4.488,36 6.351,37 4.414,38 5.256,39 5.455,40 4.446,41 4.528,42 6.385,43 4.435,44 5.25,45 5.462,46 4.396,47 4.509,48 6.335,49 4.392,50 5.212,51 5.442,52 4.415,53 4.461,54 6.239,55 4.332,56 0.184,57 1.14,58 16.659,59 7.12,60 26.472,61 8.347,62 0.578,63 1.805,64 28.377,65 11.493,66 88.279,67 14.156,68 0.576,69 2.195,70 41.9,71 15.224,72 82.712,73 18.482,74 0.791,75 2.278,76 45.59,77 15.695,78 108.898,79 19.3,80 0.716,81 2.156,82 43.426,83 15.789,84 92.907,85 19.318,86 0.849,87 2.257,88 45.241,89 16.346,90 107.224,91 20.399,92 0.829,93 2.22,94 44.456,95 16.692,96 94.656,97 21.507,98 0.614,99 2.165,100 45.009,101 16.537,102 82.173,103 21.478,104 33,105 66,106 0.254,107 0.59,108 0.77,109 0.878,110 0.891,111 0.891,112 3.81,113 0.972,114 -3.6,115 -3.57,116 -3.4,118 42.1,119 1,120 3,124 3,140 11,141 4,142 1,143 4,144 1,150 1,153 1,154 1,157 1,162 1,163 1,167 1,168 14,169 1,171 2,172 11,175 3,177 2,180 13,181 1,185 1,186 16,191 5,194 8,195 1,197 2,198 19,203 5,206 8,209 1,210 16,211 1,215 2,218 13,221 1,222 10,223 1,225 2,227 1,229 18,233 3,234 6,237 3,239 1,242 18,246 2,247 5,250 1,252 1,255 15,256 2,258 4,259 12,262 1,264 5,267 10,268 3,270 4666,271 29.714,272 29.714,273 29.714,274 29.714,275 29.714,276 25.677,277 25.27,278 17.892,279 30.286,280 23.742,281 23.742,282 23.742,283 23.742,284 23.742,285 17.664,286 27.823,287 8.552,288 24.668,289 4.567,290 2.342,291 1.152,292 0.441,293 0.352,294 0.352,295 4.512,301 1747,302 5.05,305 124.206,306 658.142,309 230.534,313 2.904,314 52.554,317 0.5,318 0.5,319 0.5,320 0.6,321 0.5,322 0.33,324 0.42,325 96,326 809,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.698,333 2.373,334 12.407,335 3.074,336 4.62,337 4,338 6.726,339 4.123,340 3.182,341 4.568,342 2.341,343 10.951,344 2.994,345 4.39,346 3.596,347 6.508,348 4.012,349 3.026,350 3.985,351 0.522,352 10.223,353 2.981,354 3.916,355 3.287,356 5.556,357 3.515,358 2.523,359 3.477,360 0.522,361 7.348,362 2.502,363 3.887,364 2.986,365 5.486,366 3.469,367 2.478,368 3.441,370 7.286,371 2.455,372 3.55,373 2.696,374 5.27,375 3.24,376 2.235,377 2.969,379 6.345,380 2.22,381 3.547,382 2.665,383 5.048,384 3.078,385 2.123,386 2.842,388 5.859,389 2.031,390 3.481,391 2.242,392 4.814,393 3.04,394 2.062,395 2.71,397 5.184,398 2.006,399 3.18,400 2.142,401 4.728,402 2.716,403 1.76,404 2.467,406 5.048,407 1.681,408 3.072,409 1.86,410 4.659,411 2.685,412 1.727,413 2.294,415 4.792,416 1.646,417 3.017,418 1.758,419 4.136,420 2.566,421 1.597,422 2.188,424 3.849,425 1.541,426 2.83,427 1.688,428 3.713,429 2.475,430 1.499,431 1.984,433 3.277,434 1.46,435 2.789,436 1.538,437 3.622,438 2.289,439 1.354,440 1.835,442 2.936,443 1.263,444 2.673,445 1.389,446 3.569,447 2.21,448 1.226,449 1.738,451 2.7,452 1.205,453 2.503,454 1.24,455 3.513,456 2.135,457 1.152,458 1.5,460 2.511,461 1.127,462 20.9,463 0.475,464 1.046,465 0.024,466 60.25,467 1.369,468 32,469 0.727,470 28.25,471 0.642,472 38.587,473 0.877,474 46.9,475 0.617,476 53.773,477 1.222,478 11.96,479 0.272,480 9.338,481 0.212,482 0.088,483 0.04,484 0.258,487 0.63,488 1.307,489 0.787,490 1.17,491 0.679,492 0.944,493 0.695,494 1.127,495 0.876,496 0.991,497 0.514,498 0.959,499 1.042,500 1.137,501 1.13,502 1.104,503 0.925,504 1.028,505 1.245,506 1.001,507 1.082,508 0.977,509 1.155,510 1.003,511 1.17,512 0.992,513 1.012,514 0.961,515 0.975,516 0.958,517 0.947,518 0.977,519 1.107,520 1.05,521 0.927,522 1.06,523 0.779,524 0.961,525 1.007,526 1.02,527 0.827,528 1.088,529 0.636,530 1,531 0.922,532 1.051,533 0.704,534 1.033,535 8.5,536 0.322,537 4.889,538 3.076,539 1.853,540 1.504,541 0.799,542 0.589,543 0.65,544 0.553,545 38923,546 115446,547 2.078,548 42.1,549 2,550 17,552 4,553 2,554 5,555 2,558 1.82,559 1.963,560 4.082,561 0.149,567 127.723,568 1.681,569 3.906,570 5.096,571 5.807,572 5.896,573 5.896,574 3.619,575 4.959,576 5.427,577 4.337,578 4102.57,579 9.601,580 81753.5,585 474.842,586 1.413,587 5.394,588 0.177,589 0.006,590 0.074,591 0.046,592 0.029,593 0.023,594 0.013,595 0.01,596 0.012,597 0.009,598 0.399,599 0.33,600 0.5,601 1.349,602 261.208,603 0.076,604 -0.138,605 0.16,606 -0.059,607 -0.094,608 0.012,609 0.157,610 -0.021,611 0.023,612 0.005,613 0.227,614 -0.015,615 -0.129,616 -0.085,617 -0.099,618 -0.062,619 -0.072,620 -0.051,621 -0.175,622 0.01,623 -0.094,624 -0.007,625 -0.126,626 -0.042,627 -0.131,628 -0.006,629 -0.028,630 0.039,631 -0.079,632 0.024,633 -0.018,634 0.028,635 -0.108,636 -0.031,637 -0.058,638 -0.069,639 0.06,640 0.016,641 -0.036,642 -0.011,643 -0.025,644 -0.076,645 0.087,646 -0.017,647 0.138,648 0.007,649 0.03,650 0.008,651 4.695,652 6.151,653 0.614,654 71.322,655 1.011,656 1.123,657 2.37,658 5.619,659 0.682,660 3.892,661 4.205,662 4.443,663 4.682,664 4.898,665 4.934,666 5.063,667 5.182,668 5.268,669 5.318,670 10.569,671 0.654,672 612.77,673 3.892,674 5.434,675 6.271,676 7.143,677 8.001,678 8.88,679 9.748,680 10.63,681 11.504,682 12.389,683 7.9,685 1,691 1,692 1,693 3,698 2,699 15,700 3,704 6,705 1,706 28,709 1,724 76,726 32,727 2,728 48,730 80,731 32,733 23,734 4,735 8,736 1,739 5,740 6,745 1,751 3,753 25,754 7,756 4,760 1,761 3,764 1,765 2,772 32,773 10,774 2,775 12,776 1,778 1,779 6,784 0.8,785 5,795 2,801 1,802 4,805 1,818 1,830 1,832 4,834 1,836 1,840 44,844 1,845 1,846 6,847 1,848 1,862 6.6,864 1,865 3,867 1,869 22.417,870 13.783,871 9.681,872 4.429,874 5.153,875 1.595,876 0.98,877 10.133,878 13.82,879 4.205,880 4.826,881 5.372,882 5.943,883 6.471,884 6.699,885 7.099,886 7.461,887 7.709,888 8.028,889 1,890 67,891 16.521,893 7.255,894 7.9,895 30.729,897 25.095,899 2.4,900 105.583,904 353.133,905 196.044,906 88.061,908 123.36,910 5.807,911 190.237,912 476.493,913 88.061,914 8.825,915 16.407,916 126.451,917 215.577,918 85.145,919 2.144,920 306.049,922 353.133,923 278.297,924 123.36,925 5.807,927 329.591,928 146.902,931 103.598,932 124.343,933 56.164,935 353.133,936 211.421,937 196.044,939 5.807,940 353.133,941 40.983,942 151.153,943 16.405,944 193.116,945 353.133,946 211.421,947 196.044,949 0.576,950 0.325,951 0.172,952 0.095,953 29,954 13,955 0.175,956 14,957 1,958 1.074,959 5.397,960 434.878,961 0.074,962 27,963 234.215,967 1,968 31.023,969 14.371,970 8.159,971 1.786,972 209.521,973 26.505,974 12.846,978 4.157,979 2.069,980 59.088,981 760.598,982 66,986 -3.779,987 37.03,990 4.317,991 -0.31,994 76.811,995 85.354,996 0.269,997 0.625,998 0.816,999 0.929,1000 0.944,1001 0.944,1002 5.429,1003 2.062,1004 6.26,1005 5.859,1006 4.89,1007 5.515,1008 3.087,1009 7.074,1010 4.814,1011 6.655,1012 1.76,1013 7.823,1014 5.184,1015 4.511,1016 5.447,1017 2.243,1018 8.169,1019 4.369,1020 7.984,1021 1.727,1022 9.502,1023 5.048,1024 6.512,1025 7.8,1026 4.619,1027 11.224,1028 6.341,1029 9.358,1030 1.597,1031 11.255,1032 4.792,1033 6.995,1034 8.598,1035 4.112,1036 13.206,1037 6.732,1038 10.77,1039 1.499,1040 13.061,1041 3.849,1042 8.473,1043 10.44,1044 6.29,1045 15.836,1046 8.179,1047 12.212,1048 1.354,1049 14.902,1050 3.277,1051 9.348,1052 11.632,1053 5.889,1054 18.138,1055 8.952,1056 13.676,1057 1.226,1058 16.771,1059 2.936,1060 10.631,1061 13.279,1062 7.991,1063 20.654,1064 10.189,1065 3.377,1066 1.152,1067 18.659,1068 2.7,1069 11.683,1070 14.654,1071 7.625,1072 23.07,1073 11.141,1074 3.182,1075 12.407,1076 20.564,1077 2.511,1078 12.895,1079 16.225,1080 9.704,1081 25.558,1082 12.294,1083 3.026,1084 10.951,1085 22.48,1086 4.698,1087 14.024,1088 17.683,1089 9.342,1090 28.018,1091 13.328,1092 2.523,1093 10.223,1094 24.406,1095 4.568,1096 15.215,1097 19.225,1098 11.42,1099 30.504,1100 14.447,1101 2.478,1102 7.348,1103 26.341,1104 3.985,1105 16.376,1106 20.722,1107 11.051,1108 32.983,1109 15.519,1110 2.235,1111 7.286,1112 28.281,1113 3.477,1114 17.563,1115 22.255,1116 13.139,1117 35.473,1118 16.627,1119 2.123,1120 6.345,1121 30.227,1122 3.441,1123 18.741,1124 23.77,1125 12.755,1126 37.964,1127 17.716,1128 36712,1129 63422,1130 32.186,1131 51.853,1132 71.523,1133 74.842,1134 72.558,1135 71.12,1136 71.086,1137 96.781,1138 11.514,1139 201.074,1140 68.481,1141 5.733,1142 6.684,1143 7.117,1144 5.368,1145 5.377,1146 7.698,1147 4.746,1148 19.581,1149 5.074,1150 21.479,1151 1.49,1152 1.559,1153 1.512,1154 1.482,1155 1.481,1156 2.016,1157 0.24,1158 4.189,1159 1.427,1160 4.148,1161 4.181,1162 4.735,1163 4.087,1164 7.717,1165 4.039,1166 4.048,1167 4.055,1168 4.086,1169 3.943,1170 7.474,1171 3.938,1172 3.966,1173 3.98,1174 3.935,1175 3.908,1176 6.999,1177 3.895,1178 3.807,1179 3.846,1180 3.742,1181 3.717,1182 6.351,1183 3.719,1184 3.728,1185 3.775,1186 3.706,1187 3.582,1188 5.084,1189 3.564,1190 3.657,1191 3.66,1192 3.6,1193 3.568,1194 5.004,1195 3.517,1196 3.427,1197 3.491,1198 3.339,1199 3.239,1200 4.799,1201 3.247,1202 3.415,1203 3.445,1204 3.328,1205 3.163,1206 4.689,1207 3.19,1208 0.101,1209 0.098,1210 0.152,1211 0.089,1212 0.07,1213 4.845,1214 0.098,1215 4.684,1216 0.049,1217 7.293,1218 0.258,1219 4.295,1220 0.064,1221 3.377,1222 4.698,1223 2.373,1224 12.407,1225 3.074,1226 1.995,1227 1.992,1228 2.056,1229 2.079,1230 1.277,1231 2.101,1232 1.949,1233 1.926,1234 2.036,1235 2.042,1236 1.257,1237 2.043,1238 1.85,1239 1.82,1240 1.949,1241 1.972,1242 1.19,1243 1.975,1244 1.793,1245 1.757,1246 1.917,1247 1.911,1248 1.048,1249 1.919,1250 1.704,1251 1.653,1252 1.91,1253 1.894,1254 0.964,1255 1.907,1256 1.597,1257 1.578,1258 1.744,1259 1.794,1260 0.849,1261 1.798,1262 1.456,1263 1.422,1264 1.559,1265 1.646,1266 0.771,1267 1.667,1268 1.306,1269 1.271,1270 1.527,1271 1.599,1272 0.745,1273 1.576,1274 4.575,1276 5.889,1277 2.398,1278 7.391,1279 4.844,1280 8.978,1281 7.018,1282 10.613,1284 1.932,1289 8.809,1290 2.014,1291 2.69,1292 5.516,1300 49.738,1301 127.723,1302 296.827,1303 387.279,1304 441.333,1305 448.088,1306 448.088,1307 103.317,1308 8.667,1309 148.66,1310 157.04,1311 29,1312 12.924,1313 5.044,1314 4.248,1315 74.3,1316 281,1317 290,1318 0.124,1319 308.725,1320 534.72,1321 745.05,1322 92908,1324 30.943,1325 0.703,1326 0.567,1327 31.193,1328 24.944,1329 21.298,1330 0.444,1331 0.324,1332 14.003,1333 19.675,1334 13.566,1335 11.256,1336 22.119,1337 15.552,1338 19.306,1339 0.293,1340 0.18,1341 20.629,1342 11.911,1343 15.431,1344 0.184,1345 0.1,1346 16.522,1347 8.367,1348 12.607,1349 0.118,1350 0.053,1351 13.471,1352 5.694,1353 10.33,1354 0.078,1355 0.03,1356 11.133,1357 3.972,1358 0.204,1359 141.978,1360 0.176,1361 39.68,1362 0.32,1363 228,1364 724.511,1365 287.235,1366 718.831,1367 970.43,1368 666,1369 264,1370 682.975,1371 329.586,1372 724.486,1373 1044.66,1374 679,1375 8.745} {0 CHEMBL117851,1 1.62,2 7.105,3 1.676,4 2.807,5 70.74,6 7.978,7 0.714,8 3.597,9 3.706,10 3.224,11 3.12,12 4.792,13 3.129,14 4.087,15 4.246,16 3.561,17 3.509,18 5.329,19 3.496,20 4.266,21 4.446,22 3.456,23 3.602,24 5.329,25 3.523,26 4.328,27 4.558,28 3.453,29 3.592,30 5.316,31 3.509,32 4.248,33 4.441,34 3.442,35 3.497,36 5.391,37 3.439,38 4.263,39 4.506,40 3.335,41 3.371,42 5.387,43 3.311,44 4.049,45 4.26,46 3.01,47 3.118,48 5.308,49 3.044,50 3.768,51 4.043,52 2.537,53 2.696,54 4.928,55 2.591,56 0.055,57 0.489,58 5.762,59 2.632,60 8.222,61 3.212,62 0.26,63 0.784,64 10.768,65 4.028,66 32.389,67 5.181,68 0.294,69 0.851,70 13.989,71 5.683,72 31.777,73 7.341,74 0.221,75 0.897,76 16.124,77 6.065,78 20.86,79 8.354,80 0.171,81 0.803,82 14.191,83 5.623,84 25.333,85 7.331,86 0.273,87 0.789,88 16.277,89 5.317,90 31.916,91 7.284,92 0.372,93 0.59,94 13.172,95 4.25,96 45.361,97 5.336,98 0.19,99 0.432,100 10.794,101 3.242,102 26.472,103 4.544,104 7,105 29,106 0.299,107 0.659,108 0.809,109 0.89,110 0.901,111 0.901,112 3.011,113 0.854,114 -2.46,115 -2.49,116 -2.44,118 43.8,124 2,140 4,141 2,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,171 1,172 4,173 1,175 1,180 5,185 1,186 3,189 1,194 4,197 1,198 3,206 1,207 3,210 6,215 3,219 2,221 1,222 4,223 1,227 2,230 1,233 1,234 3,237 1,239 1,247 1,248 1,258 1,262 1,270 408,271 12.93,272 12.93,273 12.93,274 12.93,275 12.93,276 10.952,277 14.655,278 7.821,279 13.202,280 10.426,281 10.426,282 10.426,283 10.426,284 10.426,285 7.493,286 23.622,287 3.761,288 10.872,289 3.38,290 1.438,291 0.625,292 0.188,293 0.125,294 0.125,295 3.689,298 1,299 1,300 1,301 289,302 2.739,305 82.08,306 45.398,309 69.733,313 1.175,314 15.777,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41.5,326 135,327 4.643,328 3.635,329 6.757,330 4.174,331 3.204,332 4.604,333 2.374,334 11.105,335 3.111,336 3.934,337 3.256,338 5.659,339 3.485,340 2.562,341 3.49,342 0.522,343 7.612,344 2.369,345 3.643,346 2.696,347 5.313,348 3.271,349 2.295,350 2.942,351 0.159,352 6.662,353 2.218,354 3.369,355 2.183,356 4.906,357 2.919,358 1.938,359 2.71,361 5.463,362 1.893,363 3.235,364 1.95,365 4.452,366 2.741,367 1.765,368 2.477,370 4.465,371 1.708,372 2.714,373 1.327,374 3.672,375 2.237,376 1.265,377 1.807,379 2.844,380 1.228,381 2.59,382 1.218,383 3.586,384 2.092,385 1.142,386 1.625,388 2.674,389 1.081,390 2.322,391 1.021,392 3.351,393 1.858,394 0.885,395 1.242,397 2.159,398 0.858,399 2.118,400 0.649,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.109,409 0.618,410 2.686,411 0.784,412 -0.17,413 -0.204,415 -0.473,416 -0.159,417 1.017,418 0.132,419 2.511,420 0.624,421 -0.346,422 -0.443,424 -0.908,425 -0.33,426 0.657,427 -0.12,428 2.207,429 0.156,430 -0.836,431 -1.216,433 -2,434 -0.822,435 0.52,436 -0.771,437 2,438 0.043,439 -0.962,440 -1.24,442 -2.065,443 -0.908,444 0.32,445 -0.821,446 1.715,447 -0.05,448 -1,449 -1.416,451 -2.457,452 -0.992,453 0.017,454 -1.023,455 1.268,456 -0.365,457 -1.323,458 -1.697,460 -3.315,461 -1.287,462 8.867,463 0.467,464 0.435,465 0.023,466 26.5,467 1.395,468 13.5,469 0.711,470 13,471 0.684,472 11.339,473 0.597,474 19.933,475 0.623,476 17.346,477 0.913,478 5.538,479 0.291,480 3.7,481 0.195,482 0.075,484 0.316,487 0.839,488 1.445,489 0.724,490 1.065,491 0.697,492 0.906,493 0.733,494 0.98,495 0.888,496 0.843,497 0.414,498 0.857,499 0.818,500 1.067,501 1.134,502 1.11,503 0.944,504 1.183,505 0.629,506 0.908,507 0.908,508 0.989,509 0.466,510 0.99,511 0.91,512 1.244,513 0.969,514 1.244,515 0.928,516 1.147,517 1.003,518 0.935,519 0.903,520 0.942,521 0.912,522 0.901,523 1.519,524 0.909,525 1.282,526 0.991,527 1.847,528 1.094,529 1.186,530 0.897,531 1.03,532 0.974,533 1.173,534 0.965,535 3.5,537 1.556,538 1.611,539 0.542,540 0.778,541 0.22,542 0.202,543 0.077,544 0.049,545 3129,546 9739,547 2.113,548 40.6,550 8,551 2,552 2,553 1,558 1.608,559 2,560 2.886,561 -0.249,563 1,564 1,565 1,567 51.836,568 1.62,569 3.563,570 4.375,571 4.813,572 4.875,573 4.875,574 2.313,575 3.326,576 4.216,577 3.015,578 515.559,579 7.209,580 5031.62,581 1,582 1,584 1,585 160,586 1.324,587 4.189,588 0.167,590 0.054,591 0.064,592 0.022,593 0.032,594 0.01,595 0.014,596 0.01,597 0.012,598 0.386,599 0.5,600 1,601 1.013,602 81.219,603 -0.091,604 -0.309,605 0.039,606 -0.081,607 -0.077,608 -0.017,609 0.059,610 0.171,611 -0.053,612 0.091,613 0.177,614 0.026,615 -0.014,616 -0.067,617 -0.25,618 -0.112,619 -0.139,620 -0.218,621 0.014,622 0.072,623 0.031,624 -0.002,625 0.06,626 0.021,627 -0.04,628 -0.296,629 -0.037,630 -0.247,631 -0.023,632 -0.162,633 -0.033,634 0.001,635 0.127,636 0.011,637 0.023,638 0.091,639 -0.125,640 -0.016,641 -0.231,642 -0.036,643 -0.267,644 -0.145,645 -0.09,646 -0.047,647 0.088,648 -0.024,649 -0.009,650 0.061,651 2.505,652 3.903,653 0.737,654 13.762,655 1.012,656 1.125,657 1.235,658 1.524,659 0.679,660 3.091,661 3.401,662 3.664,663 3.989,664 4.127,665 4.234,666 4.369,667 4.382,668 4.277,669 4.111,670 4.614,671 0.66,672 255.3,673 3.091,674 4.615,675 5.46,676 6.344,677 7.216,678 8.111,679 8.996,680 9.895,681 10.787,682 11.688,683 9.4,691 2,693 1,698 2,699 8,700 1,704 1,705 2,706 15,724 32,726 16,727 1,728 21,730 34,731 14,733 11,734 2,735 4,739 3,740 4,753 12,754 2,756 1,761 1,765 1,769 1,772 13,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,840 19,845 1,846 2,862 6.3,864 1,865 1,869 9.5,870 5.633,871 4.167,872 1.744,874 2.849,875 1.435,876 0.983,877 3.093,878 9.401,879 3.418,880 4.052,881 4.656,882 5.321,883 5.734,884 6.104,885 6.566,886 6.921,887 7.029,888 7.196,889 0.8,890 25,891 6.98,893 2.965,894 7.904,895 13.166,897 10.736,899 2.404,900 45.667,901 0.001,904 141.253,905 86.69,906 20.584,908 67.828,911 86.69,912 209.081,913 20.584,915 4.211,916 56,917 117.684,918 18.604,919 25.686,920 94.169,922 141.253,923 107.274,924 67.828,927 141.253,928 67.828,931 25.676,932 64.812,933 16.786,935 141.253,936 88.412,937 86.69,940 141.253,941 13.024,942 77.464,944 84.614,945 141.253,946 88.412,947 86.69,949 0.572,950 0.319,951 0.191,952 0.101,953 15,954 6,955 0.118,956 4,957 1,958 1.143,959 3.177,960 141.379,961 0.143,962 14,963 80.711,968 11.994,969 4.899,970 2.396,971 2.025,972 84.614,973 15.115,974 4.016,978 1.092,979 3.733,980 42.683,981 316.355,982 29.5,987 10.903,991 -0.838,994 32.378,995 35.99,996 0.324,997 0.713,998 0.875,999 0.963,1000 0.975,1001 0.975,1002 4.623,1003 0.885,1004 5.434,1005 2.674,1006 4.078,1007 4.736,1008 2.366,1009 6.24,1010 3.998,1011 5.84,1012 0.618,1013 6.978,1014 2.159,1015 3.611,1016 4.543,1017 2.243,1018 7.125,1019 3.494,1020 7.148,1021 -0.17,1022 8.627,1023 1.372,1024 5.645,1025 6.999,1026 3.698,1027 10.267,1028 5.489,1029 8.499,1030 -0.346,1031 10.341,1032 -0.473,1033 6.043,1034 7.725,1035 4.173,1036 12.063,1037 5.85,1038 9.885,1039 -0.836,1040 12.099,1041 -0.908,1042 7.531,1043 9.607,1044 5.289,1045 14.711,1046 7.308,1047 11.299,1048 -0.962,1049 13.889,1050 -2,1051 8.34,1052 10.775,1053 5.985,1054 16.881,1055 8.087,1056 12.735,1057 -1,1058 15.704,1059 -2.065,1060 9.614,1061 12.431,1062 6.962,1063 19.368,1064 9.335,1065 3.204,1066 -1.323,1067 17.536,1068 -2.457,1069 10.616,1070 13.804,1071 7.75,1072 21.685,1073 10.31,1074 2.562,1075 11.105,1076 19.384,1077 -3.315,1078 11.81,1079 15.375,1080 8.666,1081 24.119,1082 11.48,1083 2.295,1084 7.612,1085 21.243,1086 4.604,1087 12.9,1088 16.836,1089 9.496,1090 26.492,1091 12.544,1092 1.938,1093 6.662,1094 23.112,1095 3.49,1096 14.067,1097 18.376,1098 10.384,1099 28.908,1100 13.687,1101 1.765,1102 5.463,1103 24.989,1104 2.942,1105 15.196,1106 19.874,1107 11.233,1108 31.302,1109 14.79,1110 1.265,1111 4.465,1112 26.872,1113 2.71,1114 16.356,1115 21.404,1116 12.108,1117 33.712,1118 15.925,1119 1.142,1120 2.844,1121 28.76,1122 2.477,1123 17.503,1124 22.918,1125 12.965,1126 36.114,1127 17.045,1128 3081,1129 5508,1130 14.216,1131 21.733,1132 31.851,1133 31.941,1134 31.674,1135 31.346,1136 31.344,1137 43.648,1138 6.109,1139 88.711,1140 30.088,1141 5.432,1142 5.635,1143 6.435,1144 5.232,1145 5.204,1146 7.604,1147 3.984,1148 18.192,1149 5.111,1150 7.471,1151 1.517,1152 1.521,1153 1.508,1154 1.493,1155 1.493,1156 2.078,1157 0.291,1158 4.224,1159 1.433,1160 4.156,1161 4.191,1162 4.117,1163 4.062,1164 7.474,1165 4.071,1166 3.876,1167 3.942,1168 3.819,1169 3.669,1170 6.351,1171 3.699,1172 3.555,1173 3.587,1174 3.476,1175 3.371,1176 4.982,1177 3.386,1178 3.335,1179 3.365,1180 3.248,1181 3.17,1182 4.876,1183 3.185,1184 3,1185 3.053,1186 2.894,1187 2.795,1188 4.263,1189 2.809,1190 2.779,1191 2.862,1192 2.606,1193 2.601,1194 3.825,1195 2.591,1196 2.516,1197 2.592,1198 2.32,1199 2.289,1200 3.568,1201 2.276,1202 2.467,1203 2.563,1204 2.262,1205 2.262,1206 3.339,1207 2.262,1208 0.221,1209 0.173,1210 0.322,1211 0.199,1212 0.153,1213 4.643,1214 0.219,1215 3.635,1216 0.113,1217 6.757,1218 0.529,1219 4.174,1220 0.148,1221 3.204,1222 4.604,1223 2.374,1224 11.105,1225 3.111,1226 1.945,1227 1.921,1228 2.039,1229 2.034,1230 1.205,1231 2.035,1232 1.7,1233 1.647,1234 1.839,1235 1.908,1236 1.045,1237 1.891,1238 1.475,1239 1.421,1240 1.652,1241 1.717,1242 0.799,1243 1.698,1244 1.304,1245 1.245,1246 1.485,1247 1.526,1248 0.5,1249 1.516,1250 1.165,1251 1.12,1252 1.333,1253 1.411,1254 0.337,1255 1.378,1256 0.926,1257 0.892,1258 1.125,1259 1.158,1260 0.205,1261 1.146,1262 0.757,1263 0.691,1264 1.038,1265 0.962,1266 0.113,1267 1.002,1268 0.518,1269 0.416,1270 0.926,1271 0.792,1272 0.038,1273 0.84,1274 3.761,1276 5.069,1277 3.045,1278 6.555,1279 5.352,1280 8.134,1281 7.413,1282 9.768,1289 8.956,1290 0.664,1300 21.128,1301 51.836,1302 114,1303 140,1304 154,1305 156,1306 156,1307 24.159,1308 6.553,1309 60.05,1310 60.05,1311 16,1312 12.211,1313 4.087,1314 3.248,1315 27.622,1316 52,1317 45,1318 0.272,1319 130.767,1320 213.08,1321 310.831,1322 5044,1324 13.242,1325 0.697,1326 0.538,1327 13.242,1328 10.23,1329 9.237,1330 0.44,1331 0.285,1332 5.88,1333 8.824,1334 5.768,1335 4.772,1336 9.237,1337 5.981,1338 8.384,1339 0.289,1340 0.153,1341 8.384,1342 4.428,1343 6.576,1344 0.173,1345 0.081,1346 6.576,1347 3.089,1348 5.919,1349 0.112,1350 0.043,1351 5.919,1352 2.302,1353 4.364,1354 0.072,1355 0.024,1356 4.364,1357 1.473,1358 0.407,1359 58.265,1360 0.265,1361 18.74,1362 0.803,1363 100,1364 310.821,1365 110.367,1366 300.888,1367 405.29,1368 280,1369 117,1370 293.765,1371 127.29,1372 298.601,1373 431.43,1374 279,1375 7.523} {0 CHEMBL117889,1 1.64,2 19.4,3 2.866,4 8.215,5 171.53,6 7.6,7 0.367,8 4.507,9 4.622,10 4.115,11 4.039,12 5.597,13 4.007,14 5.068,15 5.241,16 4.448,17 4.426,18 6.11,19 4.365,20 5.327,21 5.54,22 4.512,23 4.555,24 6.347,25 4.473,26 5.361,27 5.564,28 4.548,29 4.529,30 6.482,31 4.465,32 5.352,33 5.549,34 4.498,35 4.561,36 6.432,37 4.481,38 5.409,39 5.642,40 4.45,41 4.61,42 6.387,43 4.486,44 5.385,45 5.628,46 4.408,47 4.553,48 6.427,49 4.433,50 5.305,51 5.538,52 4.367,53 4.491,54 6.321,55 4.395,56 0.096,57 1.23,58 17.344,59 7.839,60 13.903,61 9.978,62 0.547,63 2.006,64 37.387,65 12.938,66 45.937,67 16.872,68 0.668,69 2.382,70 49.396,71 16.926,72 72.983,73 22.273,74 0.883,75 2.386,76 53.678,77 16.406,78 119.687,79 21.089,80 0.908,81 2.371,82 49.926,83 16.817,84 111.251,85 21.622,86 0.871,87 2.547,88 56.553,89 19.419,90 90.642,91 26.005,92 0.911,93 2.445,94 54.775,95 18.587,96 117.213,97 25.891,98 0.596,99 2.267,100 46.046,101 16.386,102 79.569,103 22.828,104 26,105 65,106 0.247,107 0.567,108 0.779,109 0.859,110 0.889,111 0.893,112 3.831,113 0.998,114 -3.51,115 -3.49,116 -3.33,118 39.8,119 1,120 3,124 7,126 1,127 1,140 8,141 4,143 4,153 1,154 3,162 1,168 12,171 3,172 12,177 2,180 11,185 1,186 15,189 2,191 1,194 7,197 1,198 19,201 1,203 1,206 7,209 3,210 12,218 8,221 4,222 9,225 1,229 9,233 7,234 10,242 9,246 2,247 8,250 1,252 1,255 7,258 1,259 13,264 2,267 5,270 5278,271 31.026,272 31.026,273 31.026,274 31.026,275 31.026,276 28.339,277 27.777,278 18.96,279 31.875,280 24.174,281 24.174,282 24.174,283 24.174,284 24.174,285 20.04,286 26.546,287 8.955,288 25.355,289 4.735,290 2.61,291 1.199,292 0.669,293 0.467,294 0.443,295 4.535,301 1876,302 4.899,305 151.883,306 708.834,313 3.138,314 51.471,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,323 0.5,324 0.59,325 98,326 873,327 4.419,328 4.549,329 6.533,330 4.065,331 3.085,332 4.019,333 3.528,334 10.296,335 3.035,336 4.206,337 4,338 6.44,339 3.995,340 3.038,341 3.639,342 2.443,343 9.896,344 2.901,345 4.161,346 3.807,347 6.357,348 3.87,349 2.899,350 3.562,351 2.373,352 9.579,353 2.819,354 3.999,355 3.688,356 6.112,357 3.704,358 2.744,359 3.266,360 1.985,361 8.902,362 2.624,363 3.692,364 3.681,365 5.404,366 3.35,367 2.373,368 3.095,369 1.2,370 6.89,371 2.297,372 3.655,373 2.989,374 5.226,375 3.318,376 2.347,377 2.825,378 0.635,379 6.314,380 2.276,381 3.399,382 2.941,383 5.029,384 3.113,385 2.158,386 2.594,387 0.478,388 6.066,389 2.055,390 3.278,391 2.564,392 5.026,393 2.899,394 1.954,395 2.443,396 0.293,397 5.656,398 1.833,399 3.044,400 2.328,401 4.416,402 2.72,403 1.771,404 2.167,405 0.286,406 4.282,407 1.668,408 2.881,409 2.175,410 4.175,411 2.617,412 1.674,413 1.969,414 0.048,415 3.884,416 1.571,417 2.794,418 2.064,419 3.8,420 2.478,421 1.511,422 1.836,424 3.352,425 1.457,426 2.687,427 1.92,428 3.733,429 2.237,430 1.272,431 1.742,433 2.842,434 1.227,435 2.535,436 1.874,437 3.579,438 2.193,439 1.227,440 1.5,442 2.722,443 1.174,444 2.516,445 1.824,446 3.481,447 2.112,448 1.159,449 1.5,451 2.6,452 1.089,453 2.5,454 1.714,455 3.449,456 1.967,457 1,458 1.49,460 2.275,461 0.965,462 21.4,463 0.476,464 0.815,465 0.018,466 53.5,467 1.189,468 24,469 0.533,470 29.5,471 0.656,472 46.597,473 1.035,474 49.4,475 0.595,476 47.151,477 1.048,478 10.324,479 0.229,480 11.705,481 0.26,482 0.07,484 0.271,487 0.682,488 1.383,489 0.756,490 1.107,491 0.527,492 1.013,493 0.892,494 1.185,495 1.075,496 1.098,497 0.609,498 1.008,499 1.061,500 1.016,501 0.973,502 0.976,503 0.927,504 0.96,505 1.509,506 1.036,507 1.091,508 1.004,509 1.776,510 0.964,511 1.411,512 1.03,513 1.08,514 0.95,515 1.488,516 1.022,517 0.755,518 0.997,519 1.078,520 1.075,521 0.664,522 1.047,523 0.573,524 1.018,525 0.928,526 1.045,527 0.579,528 1.012,529 0.826,530 1.035,531 0.804,532 0.952,533 0.877,534 1.003,535 6.5,536 0.316,537 4.889,538 2.75,539 1.522,540 1.181,541 1.06,542 0.662,543 0.37,544 0.344,545 41296,546 113711,547 2.095,548 45.8,549 2,550 23,551 1,552 4,553 1,554 2,555 5,558 1.826,559 2,560 4.187,561 -0.363,567 136.123,568 1.64,569 3.765,570 5.176,571 5.706,572 5.908,573 5.932,574 3.736,575 5.136,576 5.455,577 4.387,578 4343.03,579 9.665,580 88138.6,585 529.128,586 1.227,587 5.441,588 0.133,589 0.006,590 0.075,591 0.04,592 0.023,593 0.018,594 0.017,595 0.011,596 0.006,597 0.006,598 0.334,599 0.33,600 0.5,601 1.531,602 269.074,603 0.036,604 -0.179,605 0.073,606 -0.047,607 0.017,608 -0.014,609 0.017,610 -0.04,611 -0.053,612 -0.034,613 0.03,614 -0.03,615 -0.065,616 0.013,617 0.004,618 0.015,619 -0.023,620 0.018,621 -0.193,622 -0.02,623 -0.048,624 -0.015,625 -0.203,626 -0.018,627 -0.171,628 -0.019,629 -0.122,630 0.015,631 -0.187,632 -0.068,633 0.079,634 0.008,635 -0.056,636 -0.046,637 0.054,638 -0.038,639 0.219,640 -0.043,641 0.042,642 -0.051,643 0.211,645 0.026,646 -0.056,647 0.037,648 -0.038,649 0.015,650 -0.015,651 1.883,652 6.557,653 0.644,654 78.041,655 1.006,656 1.128,657 2.282,658 5.208,659 0.664,660 3.912,661 4.19,662 4.454,663 4.673,664 4.86,665 4.934,666 5.094,667 5.176,668 5.263,669 5.384,670 10.832,671 0.63,672 630.84,673 3.912,674 5.434,675 6.271,676 7.125,677 7.98,678 8.843,679 9.706,680 10.575,681 11.443,682 12.316,683 7.2,685 1,690 2,692 1,693 2,699 12,700 2,704 4,706 18,709 1,713 1,724 83,726 22,727 1,728 49,730 87,731 33,733 16,734 2,735 4,736 2,739 5,740 5,745 1,748 1,751 4,753 20,754 13,756 4,761 3,764 1,765 4,772 38,773 11,774 1,775 12,776 1,779 6,784 1,785 5,795 2,801 1,802 4,817 1,819 1,826 1,832 5,833 1,834 1,836 1,840 45,846 10,847 1,848 2,849 1,850 2,851 2,862 6,865 3,867 2,869 22.5,870 14.917,871 10.194,872 5.218,874 2.945,875 1.34,876 0.953,877 12.11,878 11.614,879 4.143,880 4.62,881 5.116,882 5.568,883 6.028,884 6.149,885 6.531,886 6.759,887 6.991,888 7.232,889 1,890 68,891 16.763,893 7.095,894 7.774,895 32.006,897 26.071,899 2.274,900 102.333,904 435.531,905 211.255,906 77.23,908 97.653,910 32.22,911 179.035,912 533.184,913 77.23,914 8.825,915 32.36,916 93.821,917 175.448,918 90.55,919 11.771,920 408.895,922 435.531,923 256.266,924 97.653,925 32.22,927 376.675,928 156.509,931 114.785,932 107.91,933 33.571,934 32.22,935 435.531,936 174.884,937 211.255,940 435.531,941 90.43,942 127.073,943 18.011,944 150.624,945 435.531,946 174.884,947 211.255,949 0.565,950 0.331,951 0.177,952 0.091,953 27,954 12,955 0.149,956 13,958 1,959 5.522,960 444.71,962 29,963 243.133,964 1,968 32.773,969 16.628,970 8.986,972 174.884,973 21.883,974 8.409,978 3.073,980 18.011,981 821.669,982 62,987 38.377,990 4.402,991 0.318,994 83.461,995 93.6,996 0.257,997 0.591,998 0.812,999 0.895,1000 0.927,1001 0.931,1002 5.368,1003 1.954,1004 6.221,1005 6.066,1006 4.875,1007 5.308,1008 4.044,1009 6.991,1010 4.792,1011 6.516,1012 1.771,1013 7.752,1014 5.656,1015 4.29,1016 4.844,1017 2.94,1018 7.828,1019 4.205,1020 7.783,1021 1.674,1022 9.391,1023 4.282,1024 6.422,1025 7.318,1026 6.044,1027 10.939,1028 6.271,1029 9.085,1030 1.511,1031 11.095,1032 3.884,1033 6.735,1034 7.712,1035 5.272,1036 12.644,1037 6.58,1038 10.423,1039 1.272,1040 12.843,1041 3.352,1042 8.262,1043 9.629,1044 8.324,1045 15.24,1046 8.055,1047 11.786,1048 1.227,1049 14.619,1050 2.842,1051 8.988,1052 10.429,1053 7.714,1054 17.281,1055 8.77,1056 13.167,1057 1.159,1058 16.416,1059 2.722,1060 10.267,1061 12.096,1062 10.716,1063 19.698,1064 10.008,1065 3.085,1066 1,1067 18.227,1068 2.6,1069 11.19,1070 13.118,1071 10.275,1072 21.881,1073 10.914,1074 3.038,1075 10.296,1076 20.049,1077 2.275,1078 12.363,1079 14.655,1080 13.161,1081 24.229,1082 12.053,1083 2.899,1084 9.896,1085 21.878,1086 4.019,1087 13.381,1088 15.809,1089 12.886,1090 26.474,1091 13.049,1092 2.744,1093 9.579,1094 23.713,1095 3.639,1096 14.509,1097 17.273,1098 15.63,1099 28.795,1100 14.149,1101 2.373,1102 8.902,1103 25.553,1104 3.562,1105 15.572,1106 18.508,1107 15.508,1108 31.07,1109 15.188,1110 2.347,1111 6.89,1112 27.397,1113 3.266,1114 16.684,1115 19.931,1116 18.112,1117 33.379,1118 16.274,1119 2.158,1120 6.314,1121 29.244,1122 3.095,1123 17.769,1124 21.218,1125 18.124,1126 35.669,1127 17.335,1128 39120,1129 65063,1130 33.285,1131 55.137,1132 72.774,1133 78.939,1134 73.961,1135 71.934,1136 71.963,1137 89.11,1138 26.539,1139 196.813,1140 68.868,1141 5.419,1142 6.549,1143 6.362,1144 5.169,1145 5.085,1146 7.019,1147 6.918,1148 17.285,1149 5.035,1150 19.556,1151 1.485,1152 1.611,1153 1.509,1154 1.468,1155 1.469,1156 1.819,1157 0.542,1158 4.017,1159 1.405,1160 4.024,1161 4.058,1162 4.06,1163 3.937,1164 7.434,1165 3.94,1166 3.927,1167 3.963,1168 3.955,1169 3.845,1170 7.428,1171 3.828,1172 3.849,1173 3.898,1174 3.785,1175 3.723,1176 7.425,1177 3.73,1178 3.781,1179 3.823,1180 3.715,1181 3.635,1182 5.008,1183 3.645,1184 3.746,1185 3.788,1186 3.646,1187 3.578,1188 4.897,1189 3.577,1190 3.628,1191 3.682,1192 3.628,1193 3.5,1194 4.797,1195 3.476,1196 3.525,1197 3.578,1198 3.396,1199 3.293,1200 4.633,1201 3.298,1202 3.344,1203 3.395,1204 3.314,1205 3.139,1206 4.468,1207 3.158,1208 0.09,1209 0.093,1210 0.133,1211 0.083,1212 0.063,1213 4.419,1214 0.082,1215 4.549,1216 0.072,1217 6.533,1218 0.21,1219 4.065,1220 0.062,1221 3.085,1222 4.019,1223 3.528,1224 10.296,1225 3.035,1226 1.959,1227 1.937,1228 2.048,1229 2.067,1230 1.287,1231 2.061,1232 1.845,1233 1.81,1234 1.966,1235 2.001,1236 1.279,1237 1.993,1238 1.81,1239 1.769,1240 1.951,1241 1.963,1242 1.135,1243 1.965,1244 1.747,1245 1.693,1246 1.945,1247 1.907,1248 1.076,1249 1.919,1250 1.711,1251 1.662,1252 1.894,1253 1.891,1254 1.035,1255 1.895,1256 1.502,1257 1.453,1258 1.8,1259 1.742,1260 0.94,1261 1.758,1262 1.483,1263 1.42,1264 1.685,1265 1.712,1266 0.935,1267 1.71,1268 1.273,1269 1.222,1270 1.54,1271 1.541,1272 0.825,1273 1.537,1274 4.595,1276 5.883,1277 2.398,1278 7.366,1279 4.595,1280 8.934,1281 6.605,1282 10.547,1284 1.787,1290 4.917,1291 3.435,1292 10.6,1293 1.709,1294 -0.214,1295 3.639,1300 52.318,1301 136.123,1302 312.503,1303 429.618,1304 473.618,1305 490.373,1306 492.373,1307 110.762,1308 8.669,1309 126.32,1310 151.62,1311 29,1312 12.858,1313 4.524,1314 3.807,1315 76.883,1316 288,1317 341,1318 0.124,1319 324.172,1320 579.1,1321 782.741,1322 90543,1324 31.434,1325 0.699,1326 0.581,1327 31.788,1328 26.156,1329 22.029,1330 0.45,1331 0.333,1332 15.113,1333 20.618,1334 14.737,1335 12.132,1336 22.483,1337 16.301,1338 18.759,1339 0.289,1340 0.182,1341 19.309,1342 11.832,1343 16.003,1344 0.188,1345 0.104,1346 16.707,1347 8.859,1348 12.946,1349 0.122,1350 0.061,1351 13.752,1352 6.44,1353 9.933,1354 0.078,1355 0.033,1356 10.552,1357 4.199,1358 0.203,1359 143.369,1360 0.173,1361 40.467,1362 0.32,1363 228,1364 714.097,1365 275.392,1366 694.008,1367 931.57,1368 652,1369 264,1370 651.832,1371 309.575,1372 660.37,1373 963.45,1374 622,1375 7.284} {0 CHEMBL118008,1 1.716,2 12.581,3 4.508,4 20.323,5 123.592,6 9.323,7 0.545,8 4.071,9 4.16,10 3.945,11 3.716,12 5.183,13 3.656,14 4.591,15 4.726,16 4.262,17 4.098,18 5.942,19 4.01,20 4.864,21 5.04,22 4.27,23 4.241,24 5.972,25 4.106,26 4.939,27 5.153,28 4.102,29 4.172,30 6.035,31 4.037,32 4.836,33 5.032,34 4.244,35 4.144,36 5.94,37 4.019,38 4.902,39 5.122,40 4.345,41 4.158,42 5.991,43 4.037,44 4.893,45 5.122,46 4.109,47 4.132,48 5.929,49 4.004,50 4.872,51 5.081,52 4.075,53 4.091,54 5.992,55 3.964,56 0.114,57 0.732,58 10.152,59 5.434,60 22.488,61 6.075,62 0.419,63 1.176,64 18.182,65 9.156,66 77.343,67 10.838,68 0.364,69 1.49,70 38.536,71 13.492,72 68.002,73 15.152,74 0.551,75 1.559,76 44.785,77 14.04,78 99.215,79 16.035,80 0.378,81 1.427,82 35.536,83 12.133,84 70.405,85 14.131,86 0.463,87 1.505,88 40.497,89 13.317,90 72.764,91 16.206,92 0.377,93 1.502,94 35.608,95 12.886,96 69.212,97 15.975,98 0.52,99 1.472,100 43.549,101 13.147,102 93.4,103 14.572,104 29,105 45,106 0.282,107 0.591,108 0.754,109 0.864,110 0.878,111 0.885,112 3.471,113 1.097,114 -4.28,115 -4.21,116 -3.98,117 1,118 42.6,120 4,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 4,194 19,195 1,198 8,203 5,206 13,207 2,210 6,215 4,218 12,219 2,222 10,227 6,229 10,230 3,234 10,239 5,242 10,243 1,247 8,252 2,253 1,255 10,256 1,259 5,260 1,262 2,263 1,264 2,267 11,268 1,270 1873,271 20.402,272 20.402,273 20.402,274 20.402,275 20.402,276 17.709,277 20.395,278 12.26,279 20.807,280 16.328,281 16.328,282 16.328,283 16.328,284 16.328,285 12.219,286 21.333,287 5.909,288 17.055,289 4.039,290 2.158,291 1.163,292 0.495,293 0.407,294 0.37,295 4.152,300 1,301 817,302 4.243,306 351.291,313 1.788,314 39.672,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 66.75,326 390,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.507,349 2.515,350 3.435,352 7.187,353 2.495,354 3.835,355 2.861,356 5.15,357 3.304,358 2.401,359 3.393,361 6.323,362 2.253,363 3.568,364 2.75,365 5.037,366 3.262,367 2.262,368 2.757,370 6.105,371 2.126,372 3.351,373 2.403,374 4.86,375 3.028,376 2.033,377 2.601,379 5.594,380 2.013,381 3.297,382 2.155,383 4.727,384 2.921,385 1.925,386 2.535,388 4.973,389 1.911,390 3.08,391 1.879,392 4.586,393 2.568,394 1.64,395 2.289,397 4.754,398 1.42,399 2.849,400 1.486,401 3.589,402 2.368,403 1.401,404 2,406 3.025,407 1.352,408 2.5,409 1.294,410 3.516,411 2.049,412 1.087,413 1.5,415 2.44,416 1.036,417 2.5,418 1.054,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.254,427 1,428 3.247,429 1.956,430 1,431 1.215,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.601,446 2.979,447 0.991,453 1.138,454 0.419,455 2.865,456 0.9,457 -0.062,458 -0.07,460 -0.157,461 -0.053,462 15.8,463 0.51,464 0.857,465 0.028,466 40.75,467 1.315,468 22.5,469 0.726,470 18.25,471 0.589,472 27.385,473 0.883,474 32.8,475 0.607,476 30.905,477 0.997,478 7.721,479 0.249,480 7.094,481 0.229,482 0.169,483 0.053,484 0.222,487 0.585,488 1.157,489 0.559,490 0.998,491 0.685,492 0.877,493 0.478,494 1.038,495 0.634,496 0.897,497 0.456,498 0.974,499 0.925,500 1.148,501 0.991,502 1.146,503 0.895,504 1.142,505 1.115,506 0.974,507 0.805,508 0.961,509 1.111,510 0.992,511 0.937,512 1.081,513 0.357,514 0.828,515 0.978,516 1.042,517 0.657,518 1.036,519 0.609,520 0.958,521 0.67,522 0.955,523 0.783,524 0.989,525 0.54,526 0.829,527 0.776,528 0.931,529 1.206,530 1.027,531 0.872,532 1.037,533 1.139,534 1.005,535 8,536 0.256,537 2.889,538 2,539 1.267,540 0.965,541 0.69,542 0.462,543 0.353,544 0.314,545 13115,546 44931,547 2.004,548 42.6,549 4,550 11,552 2,553 2,554 2,555 2,558 1.739,559 1.869,560 3.599,561 0.225,567 92.68,568 1.716,569 3.596,570 4.592,571 5.259,572 5.347,573 5.385,574 3.011,575 4.503,576 4.924,577 3.783,578 1759.18,579 8.618,580 26370.6,585 310.764,586 1.525,587 4.873,588 0.242,589 0.008,590 0.064,591 0.047,592 0.032,593 0.025,594 0.017,595 0.012,596 0.01,597 0.009,598 0.466,599 0.17,600 0.88,601 1.064,602 163.201,603 0.039,604 -0.034,605 0.044,606 -0.019,607 -0.114,608 0.043,609 0.272,610 0.034,611 0.011,612 0.009,613 0.27,614 -0.052,615 -0.113,616 -0.138,617 -0.098,618 -0.132,619 -0.079,620 -0.156,621 -0.149,622 0.007,623 -0.064,624 -0.01,625 -0.104,626 -0.008,627 -0.088,628 -0.097,629 0.083,631 -0.082,632 -0.097,633 0.112,634 -0.076,635 0.114,636 -0.041,637 0.078,638 0.046,639 -0.004,640 -0.024,641 0.044,642 0.034,643 -0.012,644 0.055,645 -0.166,646 -0.018,647 -0.082,648 -0.053,649 -0.127,650 -0.029,651 4.511,652 5.488,653 0.581,654 34.341,655 1.01,656 1.114,657 3.046,658 9.278,659 0.707,660 3.526,661 3.829,662 3.97,663 4.159,664 4.357,665 4.394,666 4.419,667 4.489,668 4.564,669 4.635,670 7.547,671 0.665,672 503.45,673 3.526,674 5.056,675 5.861,676 6.718,677 7.542,678 8.403,679 9.235,680 10.1,681 10.936,682 11.802,683 3.7,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 54,726 21,727 2,728 33,729 1,730 56,731 23,733 17,734 5,735 7,739 3,740 3,751 4,753 18,754 5,756 3,760 1,761 3,765 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,835 1,840 31,844 1,845 1,846 5,847 1,861 1,862 7.4,864 1,865 3,869 16.583,870 9.376,871 6.792,872 3.094,874 2.92,875 1.403,876 0.967,877 8.108,878 10.171,879 3.829,880 4.425,881 4.842,882 5.332,883 5.829,884 5.948,885 6.125,886 6.349,887 6.664,888 6.959,889 1,890 43,891 11.699,893 5.146,894 7.995,895 21.682,897 17.736,899 2.495,900 77.333,904 247.193,905 139.69,906 79.145,908 112.141,910 5.807,911 179.837,912 359.334,913 33.191,915 12.244,916 107.499,917 153.379,918 35.443,920 223.651,921 45.954,922 247.193,923 167.073,924 112.141,925 5.807,926 45.954,927 223.651,928 135.683,931 46.744,932 103.544,933 22.593,934 45.954,935 247.193,936 145.332,937 185.644,939 5.807,940 247.193,941 30.502,942 103.381,943 62.359,944 128.927,945 247.193,946 145.332,947 185.644,949 0.579,950 0.306,951 0.152,952 0.088,953 19,954 9,955 0.179,956 10,958 1,959 4.255,960 260.118,962 18,963 147.58,967 1,968 23.303,969 10.786,970 7.372,972 145.332,973 19.836,974 4.139,978 5.005,980 59.088,981 578.169,982 45,986 -3.594,987 35.959,991 -0.846,994 54.538,995 60.163,996 0.298,997 0.625,998 0.798,999 0.914,1000 0.929,1001 0.936,1002 5.047,1003 1.64,1004 5.861,1005 4.973,1006 4.511,1007 5.112,1008 2.35,1009 6.637,1010 4.43,1011 6.272,1012 1.401,1013 7.405,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 4.014,1020 7.601,1021 1.087,1022 9.064,1023 3.025,1024 6.12,1025 7.365,1026 3.64,1027 10.719,1028 5.946,1029 8.97,1030 1,1031 10.798,1032 2.44,1033 6.608,1034 8.166,1035 4.112,1036 12.731,1037 6.298,1038 10.375,1039 1,1040 12.588,1041 2.275,1042 8.054,1043 9.967,1044 5.203,1045 15.346,1046 7.745,1047 11.807,1048 0.555,1049 14.42,1050 2.136,1051 8.918,1052 11.144,1053 5.889,1054 17.698,1055 8.466,1056 13.263,1058 16.287,1059 1.251,1060 10.19,1061 12.776,1062 6.849,1063 20.232,1064 9.709,1065 3.374,1066 -0.062,1067 18.181,1069 11.236,1070 14.14,1071 7.625,1072 22.696,1073 10.618,1074 2.856,1075 12.404,1076 20.096,1077 -0.157,1078 12.449,1079 15.708,1080 8.526,1081 25.215,1082 11.771,1083 2.515,1084 8.482,1085 22.029,1086 4.697,1087 13.581,1088 17.162,1089 9.342,1090 27.714,1091 12.776,1092 2.401,1093 7.187,1094 23.974,1095 3.858,1096 14.779,1097 18.707,1098 10.216,1099 30.23,1100 13.893,1101 2.262,1102 6.323,1103 25.93,1104 3.435,1105 15.95,1106 20.206,1107 11.051,1108 32.742,1109 14.946,1110 2.033,1111 6.105,1112 27.893,1113 3.393,1114 17.149,1115 21.746,1116 11.912,1117 35.258,1118 16.05,1119 1.925,1120 5.594,1121 29.862,1122 2.757,1123 18.339,1124 23.267,1125 12.755,1126 37.774,1127 17.127,1128 12858,1129 23991,1130 21.553,1131 38.205,1132 48.484,1133 50.089,1134 49.19,1135 48.425,1136 48.099,1137 64.833,1138 6.042,1139 133.898,1140 46.056,1141 5.748,1142 6.683,1143 7.095,1144 5.341,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 16.834,1151 1.469,1152 1.518,1153 1.491,1154 1.467,1155 1.458,1156 1.965,1157 0.183,1158 4.058,1159 1.396,1160 4.085,1161 4.079,1162 6.88,1163 4.073,1164 7.717,1165 3.994,1166 3.99,1167 4,1168 4.733,1169 3.946,1170 7.474,1171 3.926,1172 3.827,1173 3.867,1174 3.945,1175 3.735,1176 6.999,1177 3.736,1178 3.664,1179 3.685,1180 3.76,1181 3.606,1182 6.351,1183 3.527,1184 3.576,1185 3.591,1186 3.568,1187 3.413,1188 4.905,1189 3.412,1190 3.343,1191 3.373,1192 3.494,1193 3.224,1194 4.714,1195 3.198,1196 3.154,1197 3.194,1198 3.236,1199 2.988,1200 4.679,1201 2.991,1202 2.929,1203 2.979,1204 3.039,1205 2.74,1206 4.083,1207 2.736,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.997,1227 1.981,1228 2.106,1229 2.075,1230 1.341,1231 2.095,1232 1.948,1233 1.951,1234 1.949,1235 2.006,1236 1.183,1237 2.045,1238 1.813,1239 1.777,1240 1.937,1241 1.932,1242 1.095,1243 1.939,1244 1.588,1245 1.558,1246 1.797,1247 1.777,1248 1.068,1249 1.79,1250 1.488,1251 1.474,1252 1.653,1253 1.675,1254 0.819,1255 1.685,1256 1.288,1257 1.272,1258 1.386,1259 1.431,1260 0.583,1261 1.479,1262 1.114,1263 1.072,1264 1.181,1265 1.33,1266 0.489,1267 1.334,1268 0.886,1269 0.828,1270 1.178,1271 1.142,1272 0.251,1273 1.144,1274 4.205,1276 5.509,1278 6.991,1280 8.553,1282 10.158,1283 3.298,1289 9.017,1290 1.885,1291 2.635,1300 35.909,1301 92.68,1302 194.207,1303 247.97,1304 284.009,1305 288.764,1306 290.764,1307 80.975,1308 7.251,1309 96.36,1310 104.74,1311 18,1312 12.355,1313 4.459,1314 3.7,1315 58.064,1316 137,1317 147,1318 0.197,1319 232.558,1320 405.23,1321 559.203,1322 13874,1323 1.9,1324 22.269,1325 0.718,1326 0.619,1327 23.519,1328 19.194,1329 14.815,1330 0.449,1331 0.366,1332 9.879,1333 13.053,1334 9.479,1335 7.84,1336 16.213,1337 12.07,1338 13.854,1339 0.308,1340 0.219,1341 15.994,1342 9.874,1343 10.098,1344 0.194,1345 0.129,1346 11.783,1347 6.706,1348 7.922,1349 0.126,1350 0.072,1351 9.11,1352 4.543,1353 6.286,1354 0.082,1355 0.045,1356 7.487,1357 3.442,1358 0.314,1359 108.551,1360 0.215,1361 29.499,1362 0.529,1363 156,1364 492.849,1365 270.262,1366 535.891,1367 695.04,1368 490,1369 175,1370 433.053,1371 256.479,1372 490.579,1373 700.1,1374 458,1375 7.31} {0 CHEMBL118084,1 1.665,2 11.867,3 3.345,4 11.191,5 112.472,6 8.202,7 0.563,8 4.046,9 4.131,10 3.82,11 3.635,12 5.196,13 3.599,14 4.552,15 4.679,16 4.075,17 3.983,18 5.951,19 3.928,20 4.818,21 4.993,22 4.063,23 4.093,24 5.97,25 4,26 4.833,27 5.027,28 3.978,29 4.028,30 5.999,31 3.939,32 4.779,33 4.961,34 3.957,35 4.01,36 5.956,37 3.935,38 4.797,39 4.994,40 3.958,41 4.041,42 5.914,43 3.946,44 4.815,45 5.023,46 4.01,47 4.033,48 5.956,49 3.936,50 4.809,51 5.021,52 3.941,53 3.987,54 5.988,55 3.888,56 0.132,57 0.724,58 12.041,59 5.255,60 23.337,61 5.752,62 0.447,63 1.133,64 19.031,65 8.476,66 77.003,67 9.845,68 0.542,69 1.394,70 31.291,71 11.672,72 75.913,73 13.151,74 0.575,75 1.378,76 32.764,77 11.546,78 97.532,79 13.223,80 0.55,81 1.308,82 27.341,83 10.266,84 76.646,85 11.919,86 0.522,87 1.348,88 29.104,89 11.031,90 71.303,91 13.235,92 0.598,93 1.366,94 29.088,95 11.096,96 79.588,97 13.955,98 0.674,99 1.368,100 31.601,101 10.971,102 92.222,103 13.323,104 20,105 43,106 0.276,107 0.584,108 0.735,109 0.864,110 0.879,111 0.886,112 3.44,113 1.02,114 -3.25,115 -3.24,116 -3.11,118 42.3,120 3,124 1,140 10,141 2,142 3,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 5,175 3,177 2,180 13,181 1,185 1,186 9,191 4,194 8,195 1,198 10,203 5,206 6,207 2,210 9,215 4,218 8,219 1,222 7,223 1,225 1,227 3,229 9,230 2,233 1,234 7,237 1,239 3,242 11,246 2,247 5,252 1,253 1,255 8,256 1,259 5,260 1,262 2,263 1,264 2,267 8,268 1,270 1712,271 19.955,272 19.955,273 19.955,274 19.955,275 19.955,276 17.286,277 17.945,278 12.173,279 20.318,280 15.862,281 15.862,282 15.862,283 15.862,284 15.862,285 11.814,286 18.177,287 5.871,288 16.477,289 4.035,290 2.173,291 1.259,292 0.476,293 0.385,294 0.346,295 4.122,299 1,300 1,301 747,302 4.183,306 337.568,313 1.693,314 42.151,317 1,318 0.83,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.82,325 66,326 356,327 4.842,328 4.683,329 7.292,330 4.289,331 3.372,332 4.694,333 2.341,334 12.402,335 3.062,336 4.222,337 3.6,338 5.833,339 3.83,340 2.856,341 3.858,342 0.86,343 8.482,344 2.791,345 3.889,346 3.141,347 5.407,348 3.462,349 2.514,350 3.435,352 7.187,353 2.367,354 3.57,355 2.791,356 5.042,357 3.265,358 2.263,359 3.053,361 6.11,362 2.25,363 3.555,364 2.404,365 4.923,366 3.062,367 2.07,368 2.757,370 5.599,371 2.051,372 3.349,373 2.191,374 4.855,375 2.996,376 2,377 2.6,379 5.371,380 1.989,381 3.297,382 2.057,383 4.586,384 2.893,385 1.925,386 2.535,388 4.972,389 1.847,390 2.849,391 1.554,392 3.713,393 2.351,394 1.403,395 2,397 3.026,398 1.326,399 2.709,400 1.491,401 3.588,402 2.255,403 1.282,404 1.786,406 2.87,407 1.241,408 2.5,409 1.129,410 3.389,411 2.008,412 1.03,413 1.5,415 2.344,416 1.006,417 2.5,418 1.044,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.25,427 1,428 3.247,429 1.956,430 1,431 1.204,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.559,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.425,446 2.914,447 0.912,453 1.135,454 0.31,455 2.862,456 0.888,457 -0.082,458 -0.095,460 -0.214,461 -0.08,462 14.3,463 0.477,464 0.751,465 0.025,466 41.25,467 1.375,468 23,469 0.767,470 18.25,471 0.608,472 22.553,473 0.752,474 32.5,475 0.625,476 32.653,477 1.088,478 8.176,479 0.273,480 6.244,481 0.208,482 0.093,483 0.058,484 0.21,487 0.653,488 1.219,489 0.814,490 1.19,491 0.701,492 0.932,493 0.592,494 1.122,495 0.898,496 1.081,497 0.479,498 1.052,499 1.086,500 1.063,501 1.212,502 1.133,503 0.946,504 1.069,505 1.192,506 1.041,507 1.166,508 1.07,509 1.201,510 1.014,511 1.241,512 1.002,513 1.012,514 0.931,515 1.069,516 1.015,517 0.963,518 0.997,519 1,520 0.989,521 0.845,522 1.024,523 0.679,524 1.029,525 0.781,526 0.962,527 0.764,528 1.005,529 0.872,530 0.994,531 1.035,532 0.997,533 0.881,534 0.985,535 7,536 0.24,537 2.444,538 1.938,539 1.093,540 0.799,541 0.649,542 0.431,543 0.337,544 0.274,545 11982,546 39168,547 2.024,548 42.3,549 2,550 12,552 2,553 2,554 2,555 2,558 1.732,559 1.905,560 3.534,561 0.243,562 1,563 1,567 86.598,568 1.665,569 3.527,570 4.441,571 5.224,572 5.316,573 5.354,574 2.899,575 4.215,576 4.877,577 3.717,578 1616.95,579 8.527,580 23669.9,582 1,584 1,585 296.423,586 1.433,587 4.835,588 0.219,589 0.008,590 0.057,591 0.047,592 0.029,593 0.021,594 0.017,595 0.011,596 0.009,597 0.008,598 0.426,599 0.33,600 1,601 1.042,602 156.001,603 0.021,604 -0.075,605 0.179,606 -0.047,607 -0.124,608 0.034,609 0.228,610 -0.04,611 -0.003,612 -0.075,613 0.265,614 -0.106,615 -0.12,616 -0.056,617 -0.137,618 -0.068,619 -0.088,620 -0.08,621 -0.163,622 -0.065,623 -0.108,624 -0.046,625 -0.128,626 -0.025,627 -0.205,628 -0.026,629 -0.115,631 -0.12,632 -0.059,633 -0.078,634 -0.023,635 -0.06,636 -0.017,637 -0.045,638 -0.032,639 0.137,640 -0.072,641 0.116,642 -0.022,643 0.033,644 -0.002,645 0.05,646 -0.003,647 -0.016,648 -0.01,649 -0.001,650 0.007,651 4.505,652 5.367,653 0.6,654 32.667,655 1.014,656 1.118,657 2.025,658 4.099,659 0.684,660 3.497,661 3.784,662 3.932,663 4.127,664 4.304,665 4.29,666 4.394,667 4.466,668 4.543,669 4.595,670 7.297,671 0.655,672 426.53,673 3.497,674 5.017,675 5.82,676 6.673,677 7.495,678 8.353,679 9.183,680 10.044,681 10.879,682 11.741,683 3.8,685 1,693 1,699 12,700 1,704 5,706 18,722 1,724 52,726 21,727 2,728 32,730 54,731 22,733 17,734 4,735 8,739 3,740 3,751 3,753 18,754 4,756 3,760 1,761 3,765 1,769 1,772 22,773 7,774 2,775 8,776 1,779 2,784 1,785 5,795 1,802 3,818 1,830 1,832 3,834 1,840 30,844 1,845 1,846 4,847 1,848 1,862 9.6,864 1,865 3,867 1,869 15.75,870 8.983,871 6.625,872 2.947,874 2.894,875 1.404,876 0.957,877 7.445,878 10.061,879 3.807,880 4.388,881 4.806,882 5.299,883 5.778,884 5.811,885 6.11,886 6.337,887 6.655,888 6.939,889 0.875,890 41,891 11.314,893 4.986,894 8.064,895 20.73,897 16.737,899 2.564,900 76.917,903 1,904 235.422,905 147.693,906 33.191,908 123.141,910 5.807,911 141.885,912 358.563,913 33.191,915 9.709,916 116.975,917 153.379,918 47.503,920 211.88,922 235.422,923 175.076,924 123.141,925 5.807,927 211.88,928 146.683,931 44.209,932 114.081,933 22.593,935 235.422,936 156.332,937 147.693,939 5.807,940 235.422,941 29.028,942 112.857,943 16.405,944 139.927,945 235.422,946 156.332,947 147.693,949 0.572,950 0.305,951 0.157,952 0.088,953 18,954 8,955 0.185,956 10,958 1,959 4.194,960 248.323,962 18,963 141.207,967 1,968 21.817,969 10.238,970 6.853,972 156.332,973 20.378,974 4.011,978 2.962,980 59.088,981 539.446,982 44,986 -3.588,987 35.668,991 -0.884,994 52.753,995 58.116,996 0.292,997 0.619,998 0.779,999 0.916,1000 0.933,1001 0.939,1002 5.014,1003 1.403,1004 5.808,1005 4.972,1006 4.466,1007 5.075,1008 2.402,1009 6.581,1010 4.387,1011 6.23,1012 1.282,1013 7.347,1014 3.026,1015 4.111,1016 5.027,1017 2.243,1018 7.695,1019 3.935,1020 7.552,1021 1.03,1022 9.004,1023 2.87,1024 6.066,1025 7.318,1026 3.657,1027 10.683,1028 5.874,1029 8.918,1030 1,1031 10.742,1032 2.344,1033 6.538,1034 8.102,1035 4.112,1036 12.713,1037 6.208,1038 10.322,1039 1,1040 12.539,1041 2.136,1042 8.005,1043 9.923,1044 5.206,1045 15.332,1046 7.655,1047 11.756,1048 0.555,1049 14.379,1050 2.136,1051 8.87,1052 11.099,1053 5.889,1054 17.692,1055 8.368,1056 13.215,1058 16.254,1059 1.251,1060 10.153,1061 12.742,1062 6.849,1063 20.227,1064 9.609,1065 3.372,1066 -0.082,1067 18.155,1069 11.204,1070 14.108,1071 7.625,1072 22.693,1073 10.516,1074 2.856,1075 12.402,1076 20.077,1077 -0.214,1078 12.423,1079 15.682,1080 8.526,1081 25.212,1082 11.669,1083 2.514,1084 8.482,1085 22.014,1086 4.694,1087 13.558,1088 17.139,1089 9.342,1090 27.712,1091 12.674,1092 2.263,1093 7.187,1094 23.963,1095 3.858,1096 14.76,1097 18.688,1098 10.216,1099 30.228,1100 13.792,1101 2.07,1102 6.11,1103 25.922,1104 3.435,1105 15.933,1106 20.189,1107 11.051,1108 32.74,1109 14.846,1110 2,1111 5.599,1112 27.887,1113 3.053,1114 17.133,1115 21.73,1116 11.912,1117 35.256,1118 15.951,1119 1.925,1120 5.371,1121 29.857,1122 2.757,1123 18.325,1124 23.253,1125 12.755,1126 37.772,1127 17.03,1128 11714,1129 21338,1130 21.148,1131 35.546,1132 46.873,1133 47.948,1134 47.172,1135 46.668,1136 46.543,1137 63.12,1138 6.402,1139 127.775,1140 44.865,1141 5.746,1142 6.683,1143 7.094,1144 5.35,1145 5.372,1146 7.694,1147 3.925,1148 19.546,1149 5.062,1150 14.584,1151 1.465,1152 1.498,1153 1.474,1154 1.458,1155 1.454,1156 1.972,1157 0.2,1158 3.993,1159 1.402,1160 4.08,1161 4.069,1162 4.735,1163 4.062,1164 7.717,1165 3.979,1166 3.969,1167 3.98,1168 3.927,1169 3.904,1170 7.474,1171 3.895,1172 3.819,1173 3.858,1174 3.755,1175 3.709,1176 6.999,1177 3.715,1178 3.659,1179 3.687,1180 3.675,1181 3.561,1182 6.351,1183 3.506,1184 3.572,1185 3.585,1186 3.494,1187 3.406,1188 4.996,1189 3.403,1190 3.322,1191 3.347,1192 3.224,1193 3.172,1194 4.729,1195 3.155,1196 3.063,1197 3.078,1198 2.975,1199 2.84,1200 4.712,1201 2.868,1202 2.887,1203 2.936,1204 2.754,1205 2.735,1206 4.254,1207 2.715,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.842,1214 0.147,1215 4.683,1216 0.073,1217 7.292,1218 0.388,1219 4.289,1220 0.096,1221 3.372,1222 4.694,1223 2.341,1224 12.402,1225 3.062,1226 1.971,1227 1.97,1228 2.067,1229 2.06,1230 1.302,1231 2.084,1232 1.937,1233 1.924,1234 1.995,1235 2.012,1236 1.172,1237 2.035,1238 1.788,1239 1.753,1240 1.908,1241 1.925,1242 1.071,1243 1.924,1244 1.59,1245 1.556,1246 1.798,1247 1.782,1248 0.918,1249 1.798,1250 1.476,1251 1.466,1252 1.616,1253 1.674,1254 0.803,1255 1.681,1256 1.252,1257 1.234,1258 1.197,1259 1.423,1260 0.539,1261 1.462,1262 0.958,1263 0.937,1264 1.181,1265 1.242,1266 0.262,1267 1.209,1268 0.886,1269 0.821,1270 1.163,1271 1.079,1272 0.218,1273 1.107,1274 4.174,1276 5.468,1278 6.944,1280 8.502,1282 10.104,1289 8.972,1290 0.973,1291 2.59,1292 5.834,1300 34.072,1301 86.598,1302 183.429,1303 230.939,1304 271.668,1305 276.423,1306 278.423,1307 75.777,1308 7.166,1309 105.59,1310 113.97,1311 18,1312 12.296,1313 4.459,1314 3.7,1315 55.107,1316 128,1317 126,1318 0.2,1319 215.049,1320 377.44,1321 516.478,1322 12415,1324 21.399,1325 0.713,1326 0.567,1327 21.649,1328 17.009,1329 14.421,1330 0.451,1331 0.34,1332 9.404,1333 13.108,1334 9.101,1335 7.546,1336 15.242,1337 10.878,1338 13.232,1339 0.308,1340 0.195,1341 14.555,1342 8.398,1343 9.688,1344 0.194,1345 0.115,1346 10.795,1347 5.76,1348 7.765,1349 0.127,1350 0.065,1351 8.638,1352 3.937,1353 6.124,1354 0.084,1355 0.036,1356 6.82,1357 2.662,1358 0.318,1359 98.633,1360 0.217,1361 28.677,1362 0.54,1363 150,1364 509.93,1365 202.599,1366 507.66,1367 670.09,1368 466,1369 168,1370 448.592,1371 225.257,1372 487.111,1373 696.76,1374 456,1375 7.42} {0 CHEMBL11811,1 1.423,2 9.316,3 3.173,4 10.065,5 74.997,6 7.451,7 0.6,8 3.595,9 3.698,10 3.148,11 3.205,12 4.799,13 3.171,14 4.044,15 4.196,16 3.434,17 3.543,18 5.304,19 3.48,20 4.251,21 4.426,22 3.41,23 3.645,24 5.363,25 3.543,26 4.373,27 4.613,28 3.209,29 3.557,30 5.394,31 3.424,32 4.162,33 4.389,34 3.23,35 3.455,36 5.228,37 3.343,38 4.14,39 4.366,40 3.079,41 3.319,42 5.289,43 3.208,44 3.935,45 4.201,46 2.715,47 3.038,48 4.917,49 2.901,50 3.47,51 3.689,52 2.51,53 2.765,54 4.428,55 2.645,56 0.022,57 0.423,58 6.493,59 3.194,60 7.937,61 3.985,62 0.143,63 0.664,64 11.111,65 5.039,66 31.59,67 6.61,68 0.047,69 0.802,70 14.058,71 6.416,72 18.983,73 8.432,74 0.238,75 0.863,76 18.474,77 6.997,78 50.339,79 9.25,80 0.054,81 0.718,82 13.935,83 5.98,84 18.635,85 8.18,86 0.136,87 0.689,88 14.201,89 5.426,90 33.581,91 7.154,92 0.147,93 0.551,94 12.279,95 4.471,96 30.803,97 6.077,98 0.022,99 0.354,100 6.799,101 2.944,102 9.615,103 4.014,104 13,105 26,106 0.262,107 0.614,108 0.769,109 0.843,110 0.858,111 0.858,112 3.008,113 0.907,114 -3.68,115 -3.64,116 -3.47,118 47.1,119 1,120 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 2,186 4,191 2,194 14,195 1,198 2,203 1,206 11,207 2,210 4,215 2,218 9,219 2,222 4,227 2,229 6,230 1,234 2,239 1,242 4,243 1,247 2,252 1,255 3,256 1,259 2,264 1,267 2,268 1,270 398,271 12.637,272 12.637,273 12.637,274 12.637,275 12.637,276 10.759,277 10.716,278 7.693,279 12.708,280 9.874,281 9.874,282 9.874,283 9.874,284 9.874,285 7.175,286 12.47,287 3.697,288 9.974,289 3.665,290 1.754,291 0.912,292 0.515,293 0.434,294 0.434,295 3.667,298 1,299 1,300 1,301 364,302 3.082,306 135.38,313 1.773,314 15.379,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 40.5,326 177,327 4.18,328 3.593,329 5.822,330 3.783,331 2.783,332 3.753,333 1.437,334 7.993,335 2.779,336 4,337 2.977,338 5.596,339 3.64,340 2.642,341 3.476,342 0.68,343 7.632,344 2.632,345 3.798,346 2.555,347 5.261,348 3.374,349 2.378,350 3.269,352 6.565,353 2.362,354 3.396,355 2.232,356 4.936,357 3.015,358 2.02,359 2.676,361 5.762,362 2.007,363 2.871,364 1.84,365 3.606,366 2.387,367 1.421,368 2.025,370 3.045,371 1.371,372 2.659,373 1.487,374 3.507,375 2.064,376 1.056,377 1.515,379 2.41,380 1.046,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 1.462,400 0.479,401 2.83,402 1.202,403 0.206,404 0.247,406 0.502,407 0.205,408 0.989,409 0.412,410 2.348,411 0.688,412 -0.303,413 -0.37,415 -0.751,416 -0.299,417 0.638,418 -0.093,419 2,420 0.198,421 -0.789,422 -1.05,424 -1.852,425 -0.775,426 0.5,427 -0.568,428 1.694,430 -1,431 -1.271,433 -2,434 -0.961,435 0.5,436 -1,437 1.555,439 -1,440 -1.5,442 -2.347,443 -0.973,444 0.426,445 -1,446 1.424,447 -0.025,448 -1,449 -1.5,451 -2.872,452 -1,453 0.243,454 -1.011,455 1.193,456 -0.192,457 -1.177,458 -1.612,460 -3,461 -1.16,462 9.067,463 0.477,464 0.438,465 0.023,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 11.609,473 0.611,474 19.733,475 0.58,476 16.891,477 0.889,478 5.457,479 0.287,480 3.691,481 0.194,482 0.129,484 0.276,487 0.749,488 1.043,489 0.807,490 0.955,491 0.735,492 0.902,493 0.448,494 0.989,495 0.845,496 0.974,497 0.397,498 0.962,499 0.658,500 1.258,501 1.093,502 1.289,503 0.663,504 1.261,505 1.205,506 0.822,507 1.112,508 0.869,509 1.222,510 0.96,511 0.508,512 1.069,513 0.821,514 1.067,515 0.486,516 1.005,517 1.158,518 1.071,519 1.093,520 1.065,521 1.135,522 1.068,523 1.103,524 0.801,525 0.976,526 0.816,527 1.109,528 0.865,529 0.528,530 1.2,531 0.943,532 1.212,533 0.591,534 1.154,535 4,536 0.07,537 1.556,538 0.688,539 0.853,540 0.299,541 0.322,542 0.198,543 0.086,544 0.106,545 3416,546 10328,547 1.995,548 44.1,549 5,550 7,552 2,553 1,558 1.595,559 1.869,560 3.225,561 -0.353,563 1,565 1,567 48.37,568 1.423,569 3.333,570 4.175,571 4.572,572 4.653,573 4.653,574 2.76,575 3.722,576 4.217,577 3.377,578 577.463,579 7.147,580 5903.21,581 1,582 1,584 1,585 172.974,586 1.384,587 4.178,588 0.2,589 0.008,590 0.06,591 0.029,592 0.045,593 0.015,594 0.02,595 0.018,596 0.01,597 0.012,598 0.416,599 0.83,600 1,601 1.315,602 84.437,603 -0.061,605 0.004,606 0.046,607 -0.094,608 0.034,609 0.213,610 0.041,611 0.013,612 0.015,613 0.234,614 -0.007,615 -0.027,616 -0.277,617 -0.219,618 -0.3,619 -0.011,620 -0.29,621 -0.178,622 0.129,623 -0.109,624 0.101,625 -0.184,626 0.022,627 0.086,628 -0.124,629 0.113,630 -0.072,631 0.115,632 0.008,633 -0.102,634 -0.109,635 -0.099,636 -0.106,637 -0.08,638 -0.102,639 -0.096,640 0.141,641 0.061,642 0.15,643 -0.105,644 0.133,645 0.069,646 -0.256,647 -0.016,648 -0.221,649 0.012,650 -0.147,651 2.556,652 3.737,653 0.632,654 16.26,655 0.998,656 1.112,657 2.446,658 5.983,659 0.684,660 3.045,661 3.296,662 3.434,663 3.555,664 3.761,665 3.611,666 3.714,667 3.807,668 3.714,669 3.611,670 5.66,671 0.651,672 253.32,673 3.045,674 4.533,675 5.323,676 6.146,677 6.956,678 7.78,679 8.597,680 9.422,681 10.242,682 11.068,683 2.9,693 1,699 8,700 1,704 3,706 12,724 34,726 14,727 1,728 20,730 35,731 16,733 11,734 2,735 4,736 3,739 2,740 2,745 1,751 1,753 14,754 2,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 19,845 1,846 1,862 5.9,864 1,865 1,869 10.167,870 6.317,871 4.278,872 1.899,874 2.625,875 1.43,876 0.935,877 4.219,878 8.73,879 3.367,880 3.912,881 4.382,882 4.844,883 5.39,884 5.403,885 5.784,886 6.192,887 6.386,888 6.567,889 1,890 24,891 6.967,893 2.831,894 7.912,895 13.124,897 10.22,899 2.412,900 45.833,901 0.001,904 164.795,905 109.44,906 16.786,908 67.828,911 109.44,912 232.624,913 16.786,914 8.825,915 2.535,916 66.334,917 109.066,918 30.837,920 141.253,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 29.455,932 70.51,933 26.262,935 164.795,936 84.614,937 109.44,940 164.795,941 16.187,942 93.254,944 84.614,945 164.795,946 84.614,947 109.44,949 0.57,950 0.311,951 0.144,952 0.083,953 11,954 5,955 0.114,956 4,958 1,959 3.226,960 125.393,962 12,963 76.711,968 13.191,969 6.077,970 3.869,972 84.614,973 15.435,974 4.082,978 3.237,980 42.683,981 358.85,982 28,987 10.737,989 1.663,991 -0.556,994 33.942,995 37.824,996 0.28,997 0.655,998 0.821,999 0.899,1000 0.915,1001 0.915,1002 4.543,1003 1,1004 5.273,1005 2.275,1006 3.97,1007 4.595,1008 1.801,1009 5.958,1010 3.954,1011 5.735,1012 0.206,1013 6.76,1014 2.136,1015 3.434,1016 4.182,1018 6.589,1019 3.426,1020 7.008,1021 -0.303,1022 8.341,1023 0.502,1024 5.451,1025 6.694,1026 2.297,1027 9.579,1028 5.428,1029 8.312,1030 -0.789,1031 9.972,1032 -0.751,1033 5.673,1034 7.011,1036 10.96,1037 5.662,1038 9.641,1039 -1,1040 11.635,1041 -1.852,1042 7.171,1043 9.015,1044 2.933,1045 13.433,1046 7.144,1047 10.986,1048 -1,1049 13.317,1050 -2,1051 7.751,1052 9.692,1054 15.14,1055 7.735,1056 12.345,1057 -1,1058 15.012,1059 -2.347,1060 9.007,1061 11.438,1062 3.621,1063 17.398,1064 8.977,1065 2.783,1066 -1.177,1067 16.717,1068 -2.872,1069 9.777,1070 12.326,1072 19.269,1073 9.754,1074 2.642,1075 7.993,1076 18.428,1077 -3,1078 10.909,1079 13.918,1080 4.33,1081 21.425,1082 10.877,1083 2.378,1084 7.632,1085 20.144,1086 3.753,1087 11.783,1088 14.942,1090 23.385,1091 11.756,1092 2.02,1093 6.565,1094 21.865,1095 3.476,1096 12.852,1097 16.435,1098 5.048,1099 25.491,1100 12.817,1101 1.421,1102 5.762,1103 23.588,1104 3.269,1105 13.783,1106 17.55,1108 27.498,1109 13.752,1110 1.056,1111 3.045,1112 25.315,1113 2.676,1114 14.82,1115 18.979,1116 5.769,1117 29.581,1118 14.784,1119 1,1120 2.41,1121 27.044,1122 2.025,1123 15.785,1124 20.157,1126 31.614,1127 15.75,1128 3470,1129 6102,1130 13.118,1131 23.245,1132 29.532,1133 29.848,1134 29.638,1135 29.024,1136 29.011,1137 39.921,1138 4.233,1139 76.639,1140 28.71,1141 4.927,1142 5.593,1143 5.624,1144 4.819,1145 4.783,1146 6.753,1147 2.873,1148 13.826,1149 4.779,1150 9.362,1151 1.477,1152 1.492,1153 1.482,1154 1.451,1155 1.451,1156 1.996,1157 0.212,1158 3.832,1159 1.436,1160 3.992,1161 4.021,1162 3.93,1163 3.936,1164 7.475,1165 3.931,1166 3.825,1167 3.861,1168 3.763,1169 3.735,1170 6.351,1171 3.736,1172 3.618,1173 3.642,1174 3.549,1175 3.49,1176 4.906,1177 3.496,1178 3.155,1179 3.206,1180 3.048,1181 3.022,1182 4.732,1183 3.016,1184 2.998,1185 3.039,1186 2.826,1187 2.735,1188 4.199,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.658,1194 3.859,1195 2.693,1196 2.786,1197 2.862,1198 2.628,1199 2.632,1200 3.748,1201 2.627,1202 2.726,1203 2.807,1204 2.566,1205 2.513,1206 3.674,1207 2.522,1208 0.209,1209 0.18,1210 0.291,1211 0.189,1212 0.139,1213 4.18,1214 0.188,1215 3.593,1216 0.072,1217 5.822,1218 0.4,1219 3.783,1220 0.139,1221 2.783,1222 3.753,1223 1.437,1224 7.993,1225 2.779,1226 1.973,1227 1.948,1228 2.083,1229 2.051,1230 1.238,1231 2.063,1232 1.81,1233 1.776,1234 1.932,1235 1.925,1236 1.015,1237 1.929,1238 1.58,1239 1.55,1240 1.766,1241 1.742,1242 0.834,1243 1.744,1244 1.155,1245 1.1,1246 1.422,1247 1.329,1248 0.568,1249 1.361,1250 0.886,1251 0.821,1252 1.187,1253 1.267,1254 0.234,1255 1.229,1256 0.865,1257 0.814,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.785,1263 0.737,1264 1.036,1265 0.998,1266 0.049,1267 1.025,1268 0.692,1269 0.611,1270 0.952,1271 0.952,1273 0.971,1274 3.714,1276 4.977,1278 6.425,1280 7.946,1282 9.502,1284 1.589,1289 8.818,1290 0.829,1300 22.139,1301 48.37,1302 113.325,1303 141.954,1304 155.464,1305 158.219,1306 158.219,1307 29.651,1308 6.105,1309 50.19,1310 50.19,1311 12,1312 11.645,1313 3.907,1314 3.17,1315 33.942,1316 66,1317 51,1318 0.262,1319 140.829,1320 246.3,1321 335.382,1322 3036,1324 13.665,1325 0.719,1326 0.563,1327 13.665,1328 10.706,1329 9.148,1330 0.457,1331 0.302,1332 5.998,1333 8.931,1334 5.786,1335 4.872,1336 9.148,1337 6.044,1338 8.083,1339 0.311,1340 0.17,1341 8.083,1342 4.412,1343 6.201,1344 0.207,1345 0.094,1346 6.201,1347 2.831,1348 4.395,1349 0.129,1350 0.052,1351 4.395,1352 1.782,1353 3.679,1354 0.088,1355 0.029,1356 3.679,1357 1.208,1358 0.417,1359 56.542,1360 0.276,1361 19.493,1362 0.698,1363 92,1364 275.53,1365 97.816,1366 272.598,1367 360.16,1368 252,1369 102,1370 250.779,1371 106.821,1372 260.282,1373 367.52,1374 242,1375 5.523} {0 CHEMBL118462,1 1.361,2 9.25,3 3.789,4 14.356,5 94.06,6 7.81,7 0.852,8 3.795,9 3.912,10 3.424,11 3.432,12 4.936,13 3.408,14 4.259,15 4.412,16 3.737,17 3.788,18 5.365,19 3.743,20 4.483,21 4.688,22 3.767,23 3.864,24 5.494,25 3.794,26 4.472,27 4.704,28 3.652,29 3.75,30 5.473,31 3.678,32 4.398,33 4.625,34 3.622,35 3.735,36 5.395,37 3.664,38 4.361,39 4.564,40 3.601,41 3.786,42 5.34,43 3.703,44 4.408,45 4.615,46 3.582,47 3.823,48 5.386,49 3.717,50 4.42,51 4.662,52 3.395,53 3.734,54 5.338,55 3.596,56 0.025,57 0.577,58 7.03,59 3.21,60 6.526,61 4.158,62 0.115,63 0.935,64 12.249,65 5.18,66 14.079,67 6.806,68 0.097,69 1.136,70 17.356,71 6.91,72 18.914,73 9.402,74 0.191,75 1.159,76 18.243,77 6.321,78 25.056,79 8.584,80 0.209,81 1.07,82 16.85,83 6.011,84 23.587,85 8.152,86 0.118,87 0.989,88 15.334,89 6.153,90 16.31,91 8.292,92 0.11,93 1.011,94 16.201,95 7.041,96 18.151,97 9.637,98 0.106,99 0.998,100 17.737,101 7.421,102 21.683,103 10.335,105 36,106 0.236,107 0.511,108 0.664,109 0.803,110 0.845,111 0.845,112 3.229,113 0.872,114 -4.93,115 -4.84,116 -4.54,118 50,124 1,140 11,141 3,143 2,144 1,145 1,147 1,168 12,171 1,172 7,175 1,177 2,180 11,186 8,191 3,194 5,198 4,201 1,203 5,206 3,209 2,210 3,215 4,218 9,222 3,229 12,234 5,237 1,242 14,247 4,255 13,259 3,267 9,270 856,271 16.913,272 16.913,273 16.913,274 16.913,275 16.913,276 14.215,277 9.712,278 10.41,279 17.148,280 13.403,281 13.403,282 13.403,283 13.403,284 13.403,285 9.476,286 15.848,287 5.012,288 13.79,289 3.961,290 2.373,291 1.492,292 0.69,293 0.45,294 0.45,295 3.937,298 1,299 1,300 1,301 491,302 2.236,306 249.402,310 97.73,313 1.354,314 11.548,315 1,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 50,326 222,327 4.559,328 3.159,329 6.566,330 4.081,331 3.118,332 4.491,333 0.657,334 10.458,335 3.004,336 4.079,337 2.766,338 6.073,339 3.675,340 2.692,341 3.677,343 8.791,344 2.645,345 3.898,346 2.675,347 5.367,348 3.512,349 2.518,350 3.446,352 7.011,353 2.502,354 3.5,355 2.187,356 5.192,357 3.041,358 2.093,359 2.905,361 6.262,362 1.981,363 3.316,364 1.832,365 4.543,366 2.774,367 1.83,368 2.706,370 4.677,371 1.724,372 2.927,373 1.606,374 3.896,375 2.498,376 1.505,377 2.126,379 3.273,380 1.493,381 2.918,382 1.433,383 3.634,384 2.412,385 1.432,386 2.094,388 3.089,389 1.401,390 2.661,391 1.218,392 3.588,393 2.15,394 1.186,395 1.738,397 2.8,398 1.141,399 2.5,400 1.058,401 3.463,402 2,403 1,404 1.5,406 2.459,407 1,408 2.5,409 1,410 3.247,411 1.984,412 1,413 1.5,415 2.136,416 0.983,417 2.427,418 1,419 3.247,420 1.952,421 1,422 1.398,424 2.136,425 0.949,426 1.805,427 0.669,428 3.076,429 1.476,430 0.531,431 0.66,433 1.265,434 0.5,435 1.178,436 -0.097,437 2.664,438 0.735,439 -0.221,440 -0.297,442 -0.575,443 -0.21,444 0.948,445 -0.403,446 2.523,447 0.481,448 -0.478,449 -0.639,451 -1.205,452 -0.457,453 0.751,454 -0.599,455 2.18,456 0.314,457 -0.667,458 -0.94,460 -1.64,461 -0.653,462 11.6,463 0.483,464 0.359,465 0.015,466 38,467 1.583,468 22.5,469 0.938,470 15.5,471 0.646,472 13.687,473 0.57,474 23.2,475 0.58,476 24.989,477 1.041,478 7.659,479 0.319,480 4.24,481 0.177,484 0.259,487 0.89,488 1.149,489 0.734,490 0.913,491 0.85,492 0.828,493 0.943,494 1.074,495 0.93,496 1.004,497 0.938,498 0.973,499 1.041,500 1.256,501 0.928,502 1.073,503 0.934,504 1.005,505 1.519,506 1.124,507 1.061,508 0.959,509 1.244,510 0.962,511 1.358,512 0.853,513 0.994,514 0.809,515 1.081,516 0.853,517 1.148,518 0.927,519 1.039,520 0.945,521 1.006,522 0.974,523 0.685,524 0.954,525 1.021,526 1.084,527 0.811,528 1.087,529 0.745,530 0.953,531 1.05,532 1.088,533 0.944,534 1.098,535 3,536 0.016,537 2,538 0.875,539 1.009,540 0.66,541 0.267,542 0.233,543 0.139,544 0.031,545 6597,546 16090,547 2.213,548 40,550 13,552 2,553 1,558 1.673,559 2.182,560 3.208,561 -0.383,563 1,565 1,567 54.439,568 1.361,569 2.949,570 3.83,571 4.632,572 4.872,573 4.872,574 2.669,575 3.887,576 4.555,577 3.329,578 918.821,579 7.886,580 10756.1,581 1,582 1,583 1,584 1,585 212.877,586 0.811,587 4.56,588 0.111,589 0.002,590 0.056,591 0.024,592 0.033,593 0.021,594 0.009,595 0.008,596 0.006,597 0.002,598 0.271,599 0.33,600 1,602 113.098,603 -0.02,604 -0.115,605 0.054,606 -0.016,607 -0.057,608 0.019,609 0.099,610 -0.027,611 -0.079,612 -0.104,613 -0.026,614 -0.109,615 0.004,616 -0.257,617 0.019,618 -0.127,619 0.042,620 -0.067,621 -0.111,622 -0.058,623 -0.056,624 -0.041,625 -0.08,626 -0.043,627 -0.044,628 0.204,629 -0.004,630 0.121,631 0.013,632 0.074,633 -0.19,634 0.065,635 -0.107,636 0.012,637 -0.12,638 -0.029,639 0.04,640 -0.023,641 -0.088,642 -0.091,643 0.015,644 -0.1,645 -0.027,646 -0.052,647 -0.056,648 -0.063,649 -0.029,650 -0.062,651 0.966,652 1.736,653 0.917,654 20,655 0.993,656 1.112,657 3.705,658 13.725,659 0.715,660 3.332,661 3.611,662 3.892,663 4.159,664 4.431,665 4.454,666 4.635,667 4.754,668 4.868,669 4.844,670 5.618,671 0.681,672 312.4,673 3.332,674 4.844,675 5.687,676 6.547,677 7.408,678 8.278,679 9.148,680 10.025,681 10.9,682 11.781,683 10,688 1,693 3,698 2,699 13,700 3,704 4,706 23,717 1,724 40,726 23,727 2,728 27,730 43,731 20,733 19,734 3,735 9,739 4,740 5,753 19,754 1,769 1,772 16,773 4,774 1,775 4,779 4,784 0.75,795 1,796 1,802 4,806 1,832 3,840 24,846 1,847 1,869 11,870 7.183,871 5.333,872 2.333,874 4.116,875 1.565,876 1.043,877 3.971,878 11.399,879 3.676,880 4.297,881 4.931,882 5.548,883 6.165,884 6.415,885 6.917,886 7.365,887 7.818,888 8.044,889 1,890 36,891 8.804,893 3.686,894 7.542,895 17.021,897 13.83,899 2.042,900 49,903 1,904 176.567,905 140.183,906 68.367,911 140.183,912 176.567,913 68.367,915 2.106,916 104.239,917 91.91,918 31.511,919 2.328,920 153.024,922 176.567,923 208.551,927 178.894,931 22.345,932 115.511,933 68.367,935 176.567,936 68.367,937 140.183,940 176.567,941 17.85,942 122.334,943 18.011,944 50.357,945 176.567,946 68.367,947 140.183,949 0.564,950 0.329,951 0.186,952 0.106,953 18,954 6,955 0.093,956 4,957 1,958 1.091,959 3.742,960 198.376,961 0.091,962 22,963 102.039,968 14.498,969 6.573,970 3.175,971 1.945,972 68.367,973 25.693,974 13.479,978 3.715,980 18.011,981 385.117,982 38.5,994 39.709,995 44.484,996 0.256,997 0.554,998 0.72,999 0.87,1000 0.915,1001 0.915,1002 4.858,1003 1.186,1004 5.624,1005 3.089,1006 4.29,1007 4.984,1008 0.623,1009 6.389,1010 4.233,1011 6.051,1012 1,1013 7.14,1014 2.8,1015 3.611,1016 4.559,1018 7.182,1019 3.53,1020 7.337,1021 1,1022 8.762,1023 2.459,1024 5.82,1025 7.217,1026 0.317,1027 10.314,1028 5.706,1029 8.663,1030 1,1031 10.452,1032 2.136,1033 6.043,1034 7.707,1036 12.007,1037 5.901,1038 10.025,1039 0.531,1040 12.187,1041 2.136,1042 7.642,1043 9.746,1044 0.149,1045 14.616,1046 7.47,1047 11.414,1048 -0.221,1049 13.954,1050 1.265,1051 8.313,1052 10.711,1054 16.671,1055 8.107,1056 12.825,1057 -0.478,1058 15.743,1059 -0.575,1060 9.635,1061 12.458,1062 0.067,1063 19.101,1064 9.4,1065 3.118,1066 -0.667,1067 17.548,1068 -1.205,1069 10.534,1070 13.679,1072 21.312,1073 10.26,1074 2.692,1075 10.458,1076 19.365,1077 -1.64,1078 11.734,1079 15.286,1080 0.03,1081 23.679,1082 11.427,1083 2.518,1084 8.791,1085 21.192,1086 4.491,1087 12.747,1088 16.643,1090 25.958,1091 12.398,1092 2.093,1093 7.011,1094 23.026,1095 3.677,1096 13.896,1097 18.185,1098 0.013,1099 28.305,1100 13.512,1101 1.83,1102 6.262,1103 24.866,1104 3.446,1105 14.966,1106 19.613,1108 30.616,1109 14.539,1110 1.505,1111 4.677,1112 26.711,1113 2.905,1114 16.097,1115 21.128,1116 0.006,1117 32.956,1118 15.632,1119 1.432,1120 3.273,1121 28.56,1122 2.706,1123 17.195,1124 22.591,1126 35.282,1127 16.688,1128 6151,1129 9729,1130 19.068,1131 28.591,1132 39.96,1133 39.891,1134 39.781,1135 39.818,1136 39.812,1137 56.479,1138 1.315,1139 108.714,1140 38.646,1141 5.388,1142 5.159,1143 6.368,1144 5.155,1145 5.118,1146 7.491,1147 1.315,1148 17.408,1149 5.004,1151 1.48,1152 1.477,1153 1.473,1154 1.475,1155 1.475,1156 2.092,1157 0.049,1158 4.026,1159 1.431,1160 4.086,1161 4.121,1162 4.055,1163 3.992,1164 5.084,1165 4.003,1166 3.898,1167 3.931,1168 3.824,1169 3.839,1170 4.853,1171 3.832,1172 3.824,1173 3.863,1174 3.765,1175 3.736,1176 4.752,1177 3.738,1178 3.423,1179 3.492,1180 3.339,1181 3.245,1182 4.452,1183 3.261,1184 3.213,1185 3.287,1186 3.114,1187 3.034,1188 4.174,1189 3.041,1190 2.95,1191 3.008,1192 2.842,1193 2.837,1194 3.806,1195 2.833,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.687,1201 2.715,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.674,1207 2.715,1208 0.169,1209 0.117,1210 0.243,1211 0.151,1212 0.115,1213 4.559,1214 0.166,1215 3.159,1216 0.024,1217 6.566,1218 0.387,1219 4.081,1220 0.111,1221 3.118,1222 4.491,1223 0.657,1224 10.458,1225 3.004,1226 2.026,1227 1.998,1228 2.097,1229 2.137,1230 1.202,1231 2.125,1232 1.903,1233 1.873,1234 2.03,1235 1.988,1236 1.131,1237 2.004,1238 1.806,1239 1.772,1240 1.918,1241 1.92,1242 0.96,1243 1.923,1244 1.373,1245 1.309,1246 1.57,1247 1.59,1248 0.689,1249 1.59,1250 1.17,1251 1.105,1252 1.344,1253 1.383,1254 0.394,1255 1.378,1256 0.952,1257 0.899,1258 1.181,1259 1.112,1260 0.226,1261 1.137,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.886,1269 0.821,1270 1.179,1271 1.062,1272 0.218,1273 1.107,1274 4.007,1276 5.293,1278 6.797,1280 8.396,1282 10.046,1290 0.72,1291 3.447,1300 27.246,1301 54.439,1302 117.963,1303 153.214,1304 185.267,1305 194.877,1306 194.877,1307 24.717,1308 7.283,1309 50.7,1310 50.7,1311 24,1312 12.318,1313 4.585,1314 3.644,1315 33.665,1316 78,1317 84,1318 0.205,1319 168.019,1320 276.48,1321 401.728,1322 14018,1324 16.192,1325 0.675,1326 0.544,1327 16.192,1328 13.054,1329 11.899,1330 0.441,1331 0.291,1332 7.783,1333 11.636,1334 7.619,1335 6.347,1336 11.899,1337 7.85,1338 10.179,1339 0.283,1340 0.152,1341 10.179,1342 5.488,1343 8.771,1344 0.183,1345 0.08,1346 8.771,1347 3.845,1348 7.446,1349 0.118,1350 0.042,1351 7.446,1352 2.623,1353 6.36,1354 0.077,1355 0.022,1356 6.36,1357 1.807,1358 0.315,1359 73.164,1360 0.229,1361 23.289,1362 0.582,1363 126,1364 321.268,1365 133.327,1366 325.223,1367 461.8,1368 308,1369 147,1370 352.437,1371 154.993,1372 362.435,1373 528.26,1374 343,1375 6.081} {0 CHEMBL118944,1 1.425,2 8.783,3 3.51,4 12.322,5 91.496,6 7.931,7 0.846,8 3.762,9 3.885,10 3.405,11 3.348,12 4.906,13 3.34,14 4.233,15 4.396,16 3.728,17 3.714,18 5.346,19 3.683,20 4.42,21 4.628,22 3.699,23 3.761,24 5.427,25 3.698,26 4.413,27 4.652,28 3.635,29 3.652,30 5.444,31 3.597,32 4.327,33 4.552,34 3.565,35 3.642,36 5.299,37 3.584,38 4.324,39 4.542,40 3.557,41 3.683,42 5.317,43 3.614,44 4.34,45 4.557,46 3.492,47 3.709,48 5.312,49 3.609,50 4.31,51 4.56,52 3.28,53 3.576,54 5.236,55 3.449,56 0.014,57 0.604,58 6.653,59 2.922,60 6.104,61 3.75,62 0.194,63 0.97,64 11.917,65 4.745,66 14.541,67 6.185,68 0.078,69 1.089,70 16.162,71 6.237,72 17.221,73 8.551,74 0.259,75 1.108,76 17.276,77 5.596,78 26.993,79 7.725,80 0.148,81 0.994,82 15.403,83 5.267,84 17.96,85 7.189,86 0.175,87 0.989,88 15.084,89 5.41,90 18.176,91 7.306,92 0.093,93 0.961,94 15.292,95 6.3,96 17.953,97 8.641,98 0.132,99 0.906,100 16.103,101 6.124,102 20.929,103 8.557,105 35,106 0.25,107 0.559,108 0.717,109 0.83,110 0.874,111 0.874,112 3.189,113 0.857,114 -4.98,115 -4.88,116 -4.58,118 47.4,124 1,140 9,141 2,143 1,144 1,145 1,148 1,149 1,156 1,168 10,171 4,172 3,175 1,177 2,180 10,186 3,191 3,194 5,197 2,198 6,201 2,203 4,206 1,210 5,215 2,218 3,222 7,225 1,229 6,234 7,242 8,247 6,255 7,259 4,267 4,270 762,271 16.206,272 16.206,273 16.206,274 16.206,275 16.206,276 13.638,277 16.037,278 9.91,279 16.55,280 12.903,281 12.903,282 12.903,283 12.903,284 12.903,285 9.143,286 23.348,287 4.762,288 13.482,289 3.823,290 2.061,291 1.162,292 0.516,293 0.263,294 0.263,295 3.894,298 1,299 1,300 1,301 450,302 2.236,305 51.25,306 176.204,310 93.093,313 1.221,314 11.083,315 1,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 48.5,326 202,327 4.56,328 3.192,329 6.566,330 4.071,331 3.119,332 4.492,333 0.657,334 10.459,335 2.982,336 4.093,337 2.831,338 6.076,339 3.629,340 2.703,341 3.701,343 8.8,344 2.509,345 3.898,346 2.716,347 5.367,348 3.511,349 2.518,350 3.446,352 7.011,353 2.482,354 3.5,355 2.187,356 5.192,357 3.041,358 2.093,359 2.904,361 6.262,362 1.98,363 3.29,364 1.814,365 4.557,366 2.732,367 1.803,368 2.67,370 4.714,371 1.673,372 2.924,373 1.606,374 3.893,375 2.498,376 1.505,377 2.095,379 3.251,380 1.493,381 2.891,382 1.411,383 3.63,384 2.383,385 1.401,386 2.08,388 3.049,389 1.372,390 2.548,391 1.192,392 3.585,393 2.092,394 1.122,395 1.567,397 2.737,398 1.086,399 2.5,400 1,401 3.262,402 2,403 1,404 1.5,406 2.136,407 1,408 2.275,409 0.869,410 3.247,411 1.734,412 0.818,413 1.174,415 1.96,416 0.748,417 2.118,418 0.646,419 3.071,420 1.553,421 0.618,422 0.927,424 1.372,425 0.577,426 1.805,427 0.618,428 3,429 1.469,430 0.525,431 0.657,433 1.251,434 0.494,435 1.148,436 -0.101,437 2.647,438 0.703,439 -0.246,440 -0.328,442 -0.646,443 -0.233,444 0.926,445 -0.446,446 2.434,447 0.414,448 -0.536,449 -0.748,451 -1.379,452 -0.507,453 0.728,454 -0.6,455 2.156,456 0.304,457 -0.676,458 -0.941,460 -1.641,461 -0.662,462 11,463 0.478,464 0.359,465 0.016,466 36.25,467 1.576,468 20.5,469 0.891,470 15.75,471 0.685,472 12.895,473 0.561,474 22.6,475 0.595,476 23.401,477 1.017,478 7.31,479 0.318,480 4.089,481 0.178,484 0.264,487 0.951,488 1.336,489 0.715,490 0.991,491 0.834,492 0.855,493 0.857,494 0.899,495 0.92,496 0.931,497 0.904,498 0.933,499 0.972,500 1.326,501 0.935,502 1.15,503 0.918,504 1.059,505 1.251,506 0.986,507 1.004,508 0.901,509 1.162,510 0.917,511 1.374,512 1.045,513 1.011,514 0.895,515 1.077,516 0.903,517 1.266,518 0.865,519 1.067,520 0.874,521 1.043,522 0.931,523 0.814,524 1.009,525 1.031,526 1.099,527 0.915,528 1.094,529 0.949,530 0.904,531 1.086,532 1.031,533 1.063,534 1.067,535 3,536 0.015,537 2,538 0.715,539 1.068,540 0.541,541 0.28,542 0.221,543 0.101,544 0.036,545 5907,546 14700,547 2.223,548 39.5,550 11,551 1,552 2,553 1,558 1.661,559 2.19,560 3.138,561 -0.326,563 1,565 1,567 54.15,568 1.425,569 3.187,570 4.086,571 4.732,572 4.985,573 4.985,574 2.496,575 4.089,576 4.495,577 3.269,578 826.951,579 7.762,580 9383.66,581 1,582 1,583 1,584 1,585 199.421,586 0.828,587 4.498,588 0.115,589 0.002,590 0.057,591 0.022,592 0.036,593 0.019,594 0.01,595 0.008,596 0.005,597 0.003,598 0.276,599 0.33,600 1,602 106.604,603 -0.037,604 -0.251,605 0.066,606 -0.082,607 -0.051,608 -0.012,609 0.255,610 0.198,611 -0.068,612 -0.033,613 0.005,614 -0.081,615 -0.008,616 -0.342,617 0.007,618 -0.192,619 0.042,620 -0.11,621 0.092,622 0.064,623 0.006,624 0.008,625 0.048,626 -0.002,627 -0.219,628 -0.021,629 -0.037,630 0.04,631 -0.095,632 0.028,633 -0.192,634 0.155,635 -0.117,636 0.071,637 -0.107,638 0.003,639 -0.067,640 -0.077,641 -0.09,642 -0.091,643 -0.037,644 -0.093,645 -0.111,646 0.009,647 -0.078,648 -0.015,649 -0.093,650 -0.037,651 1.059,652 1.659,653 0.913,654 18.484,655 0.998,656 1.12,657 3.748,658 14.045,659 0.706,660 3.296,661 3.584,662 3.871,663 4.143,664 4.357,665 4.431,666 4.595,667 4.718,668 4.804,669 4.745,670 5.428,671 0.677,672 301.38,673 3.296,674 4.812,675 5.659,676 6.524,677 7.388,678 8.262,679 9.135,680 10.014,681 10.892,682 11.774,683 13.2,688 1,691 1,693 3,698 2,699 12,700 3,704 3,705 1,706 22,717 1,724 38,726 22,727 2,728 26,730 41,731 18,733 17,734 3,735 9,739 4,740 5,753 17,754 1,768 1,769 1,772 15,773 4,774 1,775 5,778 1,779 5,784 0.75,796 1,801 1,802 3,806 1,832 3,840 23,846 1,847 1,869 10.5,870 6.8,871 5.083,872 2.176,874 3.87,875 1.54,876 1.048,877 3.646,878 11.042,879 3.638,880 4.266,881 4.906,882 5.528,883 6.064,884 6.39,885 6.871,886 7.321,887 7.74,888 7.9,889 0.833,890 33,891 8.427,893 3.537,894 7.558,895 16.246,897 13.183,899 2.058,900 47.333,904 164.795,905 126.235,906 70.266,911 126.235,912 164.795,913 70.266,915 2.106,916 94.334,917 100.528,918 18.849,919 15.998,920 129.482,922 164.795,923 196.501,927 164.795,931 25.714,932 102.42,933 68.367,935 164.795,936 70.266,937 126.235,940 164.795,941 14.235,942 113.899,943 18.011,944 50.357,945 164.795,946 70.266,947 126.235,949 0.567,950 0.332,951 0.187,952 0.099,953 18,954 6,955 0.098,956 4,957 1,958 1.095,959 3.662,960 187.847,961 0.095,962 21,963 100.042,968 13.77,969 6.091,970 2.882,971 1.911,972 68.367,973 23.515,974 13.329,978 2.638,979 1.806,980 18.011,981 361.297,982 37,994 37.927,995 42.568,996 0.272,997 0.607,998 0.779,999 0.902,1000 0.95,1001 0.95,1002 4.824,1003 1.122,1004 5.602,1005 3.049,1006 4.263,1007 4.952,1008 0.623,1009 6.375,1010 4.175,1011 6.022,1012 1,1013 7.124,1014 2.737,1015 3.611,1016 4.559,1018 7.182,1019 3.466,1020 7.311,1021 0.818,1022 8.751,1023 2.136,1024 5.802,1025 7.195,1026 0.317,1027 10.311,1028 5.622,1029 8.644,1030 0.618,1031 10.445,1032 1.96,1033 6.066,1034 7.74,1036 12.011,1037 5.82,1038 10.012,1039 0.525,1040 12.183,1041 1.372,1042 7.632,1043 9.73,1044 0.149,1045 14.616,1046 7.358,1047 11.406,1048 -0.246,1049 13.952,1050 1.251,1051 8.333,1052 10.741,1054 16.674,1055 7.995,1056 12.821,1057 -0.536,1058 15.742,1059 -0.646,1060 9.634,1061 12.449,1062 0.067,1063 19.103,1064 9.267,1065 3.119,1066 -0.676,1067 17.548,1068 -1.379,1069 10.551,1070 13.701,1072 21.314,1073 10.123,1074 2.703,1075 10.459,1076 19.366,1077 -1.641,1078 11.739,1079 15.284,1080 0.03,1081 23.681,1082 11.278,1083 2.518,1084 8.8,1085 21.193,1086 4.492,1087 12.761,1088 16.658,1090 25.96,1091 12.244,1092 2.093,1093 7.011,1094 23.027,1095 3.701,1096 13.905,1097 18.188,1098 0.013,1099 28.306,1100 13.35,1101 1.803,1102 6.262,1103 24.867,1104 3.446,1105 14.978,1106 19.624,1108 30.617,1109 14.373,1110 1.505,1111 4.714,1112 26.713,1113 2.904,1114 16.107,1115 21.132,1116 0.006,1117 32.957,1118 15.461,1119 1.401,1120 3.251,1121 28.562,1122 2.67,1123 17.207,1124 22.599,1126 35.284,1127 16.513,1128 5492,1129 8799,1130 18.375,1131 26.836,1132 38.648,1133 38.432,1134 38.274,1135 38.441,1136 38.452,1137 54.423,1138 1.315,1139 106.001,1140 36.793,1141 5.39,1142 5.192,1143 6.368,1144 5.149,1145 5.119,1146 7.492,1147 1.315,1148 17.409,1149 4.982,1151 1.486,1152 1.478,1153 1.472,1154 1.478,1155 1.479,1156 2.093,1157 0.051,1158 4.077,1159 1.415,1160 4.094,1161 4.138,1162 4.065,1163 3.982,1164 5.116,1165 3.995,1166 3.9,1167 3.936,1168 3.827,1169 3.839,1170 4.873,1171 3.831,1172 3.84,1173 3.894,1174 3.787,1175 3.653,1176 4.751,1177 3.683,1178 3.416,1179 3.486,1180 3.328,1181 3.237,1182 4.439,1183 3.252,1184 3.192,1185 3.265,1186 3.091,1187 3.018,1188 4.164,1189 3.023,1190 2.946,1191 3.005,1192 2.838,1193 2.83,1194 3.802,1195 2.826,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.674,1201 2.715,1202 2.647,1203 2.727,1204 2.548,1205 2.481,1206 3.539,1207 2.49,1208 0.175,1209 0.123,1210 0.253,1211 0.157,1212 0.12,1213 4.56,1214 0.173,1215 3.192,1216 0.025,1217 6.566,1218 0.402,1219 4.071,1220 0.115,1221 3.119,1222 4.492,1223 0.657,1224 10.459,1225 2.982,1226 2.015,1227 1.986,1228 2.088,1229 2.135,1230 1.197,1231 2.119,1232 1.902,1233 1.872,1234 2.028,1235 1.986,1236 1.128,1237 2.003,1238 1.527,1239 1.467,1240 1.645,1241 1.741,1242 0.704,1243 1.72,1244 1.339,1245 1.274,1246 1.552,1247 1.563,1248 0.672,1249 1.565,1250 1.281,1251 1.208,1252 1.453,1253 1.524,1254 0.399,1255 1.51,1256 1.074,1257 1.014,1258 1.258,1259 1.269,1260 0.314,1261 1.272,1262 0.934,1263 0.877,1264 1.181,1265 1.103,1266 0.218,1267 1.128,1268 0.886,1269 0.821,1270 1.167,1271 1.062,1272 0.205,1273 1.107,1274 3.97,1276 5.263,1277 2.398,1278 6.76,1279 4.443,1280 8.354,1281 6.293,1282 10.002,1290 0.714,1291 3.421,1300 25.741,1301 54.15,1302 121.117,1303 155.282,1304 179.812,1305 189.421,1306 189.421,1307 22.048,1308 7.172,1309 55.63,1310 55.63,1311 23,1312 12.31,1313 4.524,1314 3.585,1315 31.685,1316 72,1317 78,1318 0.209,1319 158.557,1320 255.52,1321 378.638,1322 12048,1324 15.485,1325 0.673,1326 0.54,1327 15.485,1328 12.424,1329 11.399,1330 0.438,1331 0.286,1332 7.337,1333 11.047,1334 7.201,1335 5.998,1336 11.399,1337 7.429,1338 9.826,1339 0.281,1340 0.149,1341 9.826,1342 5.198,1343 8.521,1344 0.181,1345 0.077,1346 8.521,1347 3.63,1348 7.27,1349 0.117,1350 0.04,1351 7.27,1352 2.474,1353 5.748,1354 0.075,1355 0.021,1356 5.748,1357 1.606,1358 0.32,1359 70.739,1360 0.233,1361 22.418,1362 0.595,1363 122,1364 324.913,1365 131.908,1366 325.594,1367 462.51,1368 308,1369 143,1370 356.958,1371 154.019,1372 364.74,1373 532.66,1374 344,1375 6.658} {0 CHEMBL119035,1 1.616,2 11.867,3 3.216,4 10.341,5 116.927,6 7.315,7 0.375,8 4.152,9 4.264,10 3.836,11 3.696,12 5.162,13 3.643,14 4.732,15 4.91,16 4.09,17 4.097,18 5.967,19 4.004,20 5.023,21 5.243,22 4.079,23 4.264,24 5.963,25 4.117,26 5.101,27 5.346,28 4.001,29 4.213,30 6.101,31 4.07,32 4.966,33 5.185,34 3.979,35 4.157,36 6.03,37 4.036,38 4.988,39 5.231,40 3.97,41 4.161,42 5.974,43 4.025,44 4.985,45 5.239,46 4.001,47 4.137,48 5.945,49 4.004,50 4.958,51 5.191,52 3.957,53 4.091,54 6.003,55 3.963,56 0.11,57 0.871,58 16.355,59 5.794,60 19.884,61 7.605,62 0.572,63 1.396,64 27.043,65 10.079,66 81.587,67 13.417,68 0.371,69 1.726,70 41.445,71 14.295,72 68.326,73 18.383,74 0.628,75 1.718,76 45.96,77 14.2,78 106.68,79 18.484,80 0.439,81 1.558,82 35.986,83 12.314,84 82.738,85 16.295,86 0.371,87 1.576,88 37.15,89 13.003,90 70.169,91 17.541,92 0.328,93 1.567,94 36.155,95 12.59,96 58.956,97 17.344,98 0.435,99 1.521,100 39.033,101 12.353,102 80.815,103 16.065,104 20,105 43,106 0.264,107 0.562,108 0.753,109 0.847,110 0.86,111 0.866,112 3.44,113 1.109,114 -3.89,115 -3.84,116 -3.65,118 37.3,120 7,124 3,140 5,141 4,143 2,154 1,163 1,167 1,168 15,169 1,171 3,172 5,175 4,177 2,180 17,181 1,186 4,191 2,194 15,195 1,198 9,203 5,206 13,207 2,210 9,215 5,218 10,219 2,222 10,227 5,229 8,230 3,234 12,239 5,242 7,243 1,247 11,252 2,253 1,255 6,256 1,259 7,260 1,262 2,263 1,264 2,267 6,268 1,270 1712,271 19.955,272 19.955,273 19.955,274 19.955,275 19.955,276 17.985,277 24.9,278 12.173,279 20.115,280 15.862,281 15.862,282 15.862,283 15.862,284 15.862,285 12.754,286 32.146,287 5.871,288 16.108,289 4.267,290 2.44,291 1.269,292 0.691,293 0.61,294 0.576,295 4.122,299 1,300 1,301 747,302 4.183,306 337.568,313 1.693,314 38.76,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 65.5,326 356,327 4.791,328 3.6,329 7.292,330 4.357,331 3.372,332 4.555,333 2.341,334 12.402,335 3.321,336 4.222,337 3.446,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.082,347 5.407,348 3.507,349 2.514,350 3.435,351 0.4,352 7.187,353 2.495,354 3.569,355 2.749,356 5.042,357 3.266,358 2.263,359 2.757,361 6.11,362 2.252,363 3.352,364 2.403,365 4.923,366 3.052,367 2.07,368 2.601,370 5.599,371 2.032,372 3.297,373 2.192,374 4.855,375 2.985,376 2,377 2.535,379 5.371,380 1.961,381 3.129,382 2.141,383 4.586,384 2.921,385 1.925,386 2.135,388 4.972,389 1.911,390 2.849,391 1.491,392 3.713,393 2.37,394 1.403,395 2,397 3.026,398 1.355,399 2.5,400 1.405,401 3.588,402 2.249,403 1.282,404 1.5,406 2.87,407 1.237,408 2.318,409 1.185,410 3.389,411 1.996,412 1.03,413 1.313,415 2.344,416 0.993,417 2.197,418 1.077,419 3.247,420 1.984,421 1,422 1.138,424 2.136,425 0.983,426 2,427 1.049,428 3.247,429 1.956,430 1,431 1,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.421,446 2.914,447 0.991,453 1.135,454 0.253,455 2.862,456 0.895,457 -0.082,458 -0.094,460 -0.214,461 -0.08,462 14.367,463 0.479,464 0.751,465 0.025,466 34.75,467 1.158,468 16.5,469 0.55,470 18.25,471 0.608,472 28.437,473 0.948,474 34.233,475 0.58,476 26.769,477 0.892,478 6.408,479 0.214,480 8.013,481 0.267,482 0.093,483 0.058,484 0.202,487 0.601,488 1.456,489 0.864,490 1.331,491 0.663,492 1.07,493 0.447,494 1.051,495 0.922,496 1.027,497 0.403,498 1.067,499 0.88,500 1.148,501 1.248,502 1.232,503 0.83,504 1.129,505 1.234,506 0.918,507 1.208,508 1,509 1.243,510 0.953,511 1.153,512 1.04,513 1.05,514 1.013,515 1.164,516 1.062,517 0.861,518 1.026,519 0.9,520 0.98,521 0.824,522 0.987,523 0.773,524 0.999,525 0.753,526 0.9,527 0.742,528 0.929,529 1.144,530 1.106,531 1.17,532 1.122,533 1.094,534 1.024,535 7,536 0.24,537 2.444,538 1.938,539 1.093,540 0.799,541 0.649,542 0.431,543 0.337,544 0.274,545 11982,546 33455,547 2.024,548 49.2,549 6,550 11,552 2,553 2,554 2,555 6,558 1.732,559 1.905,560 3.534,561 0.243,563 1,567 95.332,568 1.616,569 3.443,570 4.613,571 5.192,572 5.272,573 5.306,574 2.899,575 4.215,576 4.877,577 3.717,578 1616.95,579 8.527,580 23669.9,582 1,584 1,585 347.076,586 1.433,587 4.835,588 0.219,589 0.008,590 0.057,591 0.047,592 0.029,593 0.021,594 0.017,595 0.011,596 0.009,597 0.008,598 0.426,599 0.33,600 1,601 1.042,602 156.001,603 0.067,604 -0.177,605 0.204,606 -0.089,607 -0.087,608 0.017,609 0.351,610 0.111,611 0.014,612 0.011,613 0.294,614 -0.057,615 -0.089,616 -0.091,617 -0.138,618 -0.109,619 -0.066,620 -0.099,621 -0.176,622 0.061,623 -0.112,624 0.032,625 -0.139,626 0.027,627 -0.159,628 -0.034,629 -0.115,630 -0.037,631 -0.109,632 -0.077,633 -0.043,634 -0.058,635 0.022,636 -0.003,637 -0.006,638 0.019,639 0.005,640 -0.037,641 0.13,642 0.036,643 0.003,644 0.066,645 -0.117,646 -0.105,647 -0.081,648 -0.077,649 -0.092,650 -0.036,651 4.363,652 5.471,653 0.6,654 32.667,655 1.003,656 1.13,657 2.656,658 7.055,659 0.651,660 3.497,661 3.784,662 3.932,663 4.127,664 4.304,665 4.29,666 4.394,667 4.466,668 4.543,669 4.595,670 7.297,671 0.609,672 431.61,673 3.497,674 5.017,675 5.82,676 6.673,677 7.495,678 8.353,679 9.183,680 10.044,681 10.879,682 11.741,683 5.1,685 1,686 1,693 1,699 7,700 1,704 4,706 12,724 59,726 15,727 1,728 32,730 61,731 22,733 11,734 3,735 3,739 3,740 3,748 3,751 7,753 12,754 10,756 3,760 1,761 3,765 1,769 1,772 29,773 7,774 2,775 8,776 1,779 3,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,840 30,844 1,845 1,846 10,847 1,851 1,862 6.8,864 1,865 3,869 15.75,870 10.1,871 6.625,872 3.694,874 2.192,875 1.306,876 0.95,877 8.116,878 9.359,879 3.738,880 4.277,881 4.61,882 5.059,883 5.514,884 5.606,885 5.903,886 6.267,887 6.577,888 6.835,889 0.875,890 41,891 11.372,893 4.978,894 7.925,895 21.491,897 17.829,899 2.425,900 72.75,903 1,904 317.82,905 108.756,906 34.709,908 112.141,910 5.569,911 103.187,912 429.961,913 34.709,915 24.059,916 69.355,917 153.379,918 32.356,920 294.278,922 317.82,923 137.896,924 112.141,925 5.569,927 247.193,928 182.768,931 60.077,932 61.033,933 22.354,935 317.82,936 146.85,937 108.756,939 5.569,940 317.82,941 37.711,942 66.995,943 16.405,944 128.927,945 317.82,946 146.85,947 108.756,949 0.572,950 0.305,951 0.157,952 0.088,953 18,954 8,955 0.164,956 10,958 1,959 4.194,960 248.323,962 18,963 141.207,967 1,968 22.578,969 10.784,970 7.278,972 146.85,973 13.501,974 4.147,978 4.093,980 59.088,981 573.426,982 41,986 -3.446,987 35.918,991 -0.83,994 59.178,995 66.65,996 0.275,997 0.585,998 0.784,999 0.883,1000 0.896,1001 0.902,1002 4.963,1003 1.403,1004 5.808,1005 4.972,1006 4.466,1007 4.963,1008 2.38,1009 6.581,1010 4.437,1011 6.158,1012 1.282,1013 7.347,1014 3.026,1015 4.111,1016 4.977,1017 2.243,1018 7.695,1019 4.088,1020 7.478,1021 1.03,1022 9.004,1023 2.87,1024 6.066,1025 7.165,1026 3.641,1027 10.683,1028 6.018,1029 8.84,1030 1,1031 10.742,1032 2.344,1033 6.538,1034 8.003,1035 4.112,1036 12.713,1037 6.491,1038 10.243,1039 1,1040 12.539,1041 2.136,1042 8.005,1043 9.748,1044 5.203,1045 15.332,1046 7.936,1047 11.675,1048 0.555,1049 14.379,1050 2.136,1051 8.87,1052 10.941,1053 5.889,1054 17.692,1055 8.793,1056 13.13,1058 16.254,1059 1.251,1060 10.153,1061 12.533,1062 6.849,1063 20.227,1064 10.057,1065 3.372,1066 -0.082,1067 18.155,1069 11.204,1070 13.888,1071 7.625,1072 22.693,1073 11.095,1074 2.856,1075 12.402,1076 20.077,1077 -0.214,1078 12.423,1079 15.422,1080 8.526,1081 25.212,1082 12.297,1083 2.514,1084 8.482,1085 22.014,1086 4.555,1087 13.558,1088 16.854,1089 9.342,1090 27.712,1091 13.416,1092 2.263,1093 7.187,1094 23.963,1095 3.858,1096 14.76,1097 18.367,1098 10.216,1099 30.228,1100 14.601,1101 2.07,1102 6.11,1103 25.922,1104 3.435,1105 15.933,1106 19.837,1107 11.051,1108 32.74,1109 15.758,1110 2,1111 5.599,1112 27.887,1113 2.757,1114 17.133,1115 21.344,1116 11.912,1117 35.256,1118 16.94,1119 1.925,1120 5.371,1121 29.857,1122 2.601,1123 18.325,1124 22.833,1125 12.755,1126 37.772,1127 18.115,1128 11714,1129 19728,1130 21.148,1131 38.381,1132 46.495,1133 47.622,1134 47.172,1135 46.535,1136 46.543,1137 58.929,1138 6.842,1139 127.775,1140 45.798,1141 5.791,1142 5.6,1143 7.094,1144 5.392,1145 5.372,1146 7.555,1147 3.925,1148 19.546,1149 5.321,1150 14.584,1151 1.453,1152 1.488,1153 1.474,1154 1.454,1155 1.454,1156 1.842,1157 0.214,1158 3.993,1159 1.431,1160 4.055,1161 4.072,1162 4.722,1163 3.98,1164 7.717,1165 3.96,1166 3.972,1167 3.986,1168 3.945,1169 3.897,1170 7.474,1171 3.814,1172 3.827,1173 3.867,1174 3.759,1175 3.734,1176 6.999,1177 3.734,1178 3.672,1179 3.71,1180 3.585,1181 3.545,1182 6.351,1183 3.499,1184 3.579,1185 3.601,1186 3.494,1187 3.411,1188 4.904,1189 3.409,1190 3.351,1191 3.394,1192 3.239,1193 3.219,1194 4.685,1195 3.194,1196 3.154,1197 3.206,1198 3.039,1199 2.986,1200 4.261,1201 2.99,1202 3.111,1203 3.197,1204 2.866,1205 2.941,1206 4.073,1207 2.91,1208 0.15,1209 0.112,1210 0.228,1211 0.136,1212 0.105,1213 4.791,1214 0.142,1215 3.6,1216 0.073,1217 7.292,1218 0.388,1219 4.357,1220 0.104,1221 3.372,1222 4.555,1223 2.341,1224 12.402,1225 3.321,1226 1.994,1227 1.969,1228 2.106,1229 2.077,1230 1.41,1231 2.096,1232 1.862,1233 1.834,1234 2.034,1235 2.032,1236 1.338,1237 2.059,1238 1.812,1239 1.775,1240 1.944,1241 1.935,1242 1.103,1243 1.942,1244 1.602,1245 1.569,1246 1.8,1247 1.799,1248 1.095,1249 1.825,1250 1.501,1251 1.481,1252 1.655,1253 1.701,1254 0.84,1255 1.71,1256 1.305,1257 1.275,1258 1.513,1259 1.483,1260 0.825,1261 1.524,1262 1.153,1263 1.072,1264 1.391,1265 1.376,1266 0.719,1267 1.429,1268 1.117,1269 1.064,1270 1.331,1271 1.334,1272 0.54,1273 1.341,1274 4.174,1276 5.468,1278 6.944,1280 8.502,1282 10.104,1289 9.014,1290 6.122,1291 2.71,1295 1.521,1300 35.959,1301 95.332,1302 203.112,1303 272.182,1304 306.321,1305 311.076,1306 313.076,1307 79.821,1308 7.166,1309 99.6,1310 107.98,1311 18,1312 12.296,1313 4,1314 3.322,1315 55.107,1316 128,1317 126,1318 0.2,1319 226.629,1320 398.47,1321 544.734,1322 12415,1324 21.399,1325 0.713,1326 0.597,1327 21.649,1328 17.904,1329 14.421,1330 0.451,1331 0.37,1332 10.399,1333 13.151,1334 10.072,1335 8.334,1336 15.242,1337 11.834,1338 13.232,1339 0.308,1340 0.22,1341 14.555,1342 9.454,1343 9.688,1344 0.194,1345 0.137,1346 10.795,1347 6.838,1348 7.765,1349 0.127,1350 0.082,1351 8.638,1352 5.022,1353 6.124,1354 0.084,1355 0.05,1356 6.82,1357 3.615,1358 0.318,1359 98.369,1360 0.217,1361 28.677,1362 0.54,1363 150,1364 453.84,1365 201.416,1366 455.971,1367 599.86,1368 418,1369 168,1370 392.6,1371 225.715,1372 434.583,1373 621.48,1374 406,1375 7.367} {0 CHEMBL119670,1 1.448,2 11.862,3 3.862,4 14.917,5 112.391,6 7.33,7 0.581,8 4.037,9 4.149,10 3.576,11 3.628,12 5.187,13 3.593,14 4.535,15 4.694,16 3.872,17 3.996,18 5.712,19 3.926,20 4.811,21 5.015,22 3.863,23 4.116,24 5.842,25 4.007,26 4.864,27 5.103,28 3.795,29 4.062,30 5.86,31 3.944,32 4.77,33 4.98,34 3.819,35 4.055,36 5.811,37 3.948,38 4.863,39 5.105,40 3.818,41 4.078,42 5.831,43 3.957,44 4.849,45 5.094,46 3.826,47 4.048,48 5.826,49 3.934,50 4.832,51 5.066,52 3.764,53 3.98,54 5.903,55 3.878,56 0.033,57 0.699,58 10.538,59 5.005,60 10.764,61 6.391,62 0.221,63 1.122,64 18.713,65 8.225,66 42.151,67 10.971,68 0.2,69 1.404,70 26.633,71 10.956,72 50.875,73 14.663,74 0.299,75 1.442,76 29.759,77 11.24,78 63.503,79 15.334,80 0.176,81 1.349,82 25.653,83 10.394,84 44.724,85 14.028,86 0.233,87 1.444,88 29.484,89 11.548,90 52.994,91 15.881,92 0.199,93 1.432,94 29.056,95 11.21,96 47.039,97 15.553,98 0.346,99 1.379,100 29.203,101 10.381,102 72.723,103 13.91,104 13,105 40,106 0.24,107 0.554,108 0.735,109 0.862,110 0.885,111 0.891,112 3.407,113 0.934,114 -4.34,115 -4.28,116 -4.03,118 45.3,120 4,124 1,140 10,141 5,143 2,154 2,163 1,167 1,168 19,169 1,172 4,175 2,177 3,180 22,181 1,186 5,191 4,194 18,195 1,198 5,203 5,206 14,207 2,210 6,215 5,218 13,219 2,222 6,227 5,229 12,230 3,234 8,239 5,242 13,243 1,247 5,252 2,253 1,255 13,256 1,259 3,260 1,262 2,263 1,264 2,267 14,268 1,270 1601,271 19.637,272 19.637,273 19.637,274 19.637,275 19.637,276 17.14,277 20.234,278 12.175,279 19.747,280 15.377,281 15.377,282 15.377,283 15.377,284 15.377,285 11.624,286 24.056,287 5.9,288 15.511,289 4.28,290 2.381,291 1.288,292 0.519,293 0.377,294 0.34,295 4.093,299 1,300 1,301 724,302 3.808,306 324.23,313 1.748,314 27.999,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 62,326 344,327 4.223,328 3.6,329 6.018,330 3.858,331 2.859,332 3.859,333 2.341,334 8.542,335 2.857,336 4.14,337 3.556,338 5.833,339 3.788,340 2.781,341 3.67,342 1.058,343 8.478,344 2.794,345 3.889,346 3.082,347 5.407,348 3.507,349 2.514,350 3.435,351 0.68,352 7.187,353 2.495,354 3.569,355 2.749,356 5.038,357 3.266,358 2.263,359 2.757,361 6.109,362 2.253,363 3.365,364 2.399,365 4.859,366 3.04,367 2.045,368 2.615,370 5.595,371 2.029,372 3.297,373 2.187,374 4.587,375 2.921,376 1.925,377 2.544,379 4.973,380 1.911,381 3.272,382 2.15,383 4.311,384 2.823,385 1.823,386 2.527,388 4.266,389 1.817,390 2.849,391 1.514,392 3.589,393 2.37,394 1.403,395 2,397 3.026,398 1.355,399 2.63,400 1.446,401 3.544,402 2.252,403 1.278,404 1.649,406 2.826,407 1.242,408 2.5,409 1.323,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1.057,419 3.247,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.158,427 1,428 3.217,429 1.849,430 0.828,431 1.038,433 1.885,434 0.839,435 1.779,436 1,437 3,438 1.558,439 0.554,440 0.636,442 1.248,443 0.551,444 1.295,445 0.435,446 2.867,447 0.991,453 1.127,454 0.364,455 2.584,456 0.853,457 -0.141,458 -0.168,460 -0.346,461 -0.14,462 13.8,463 0.476,464 0.575,465 0.02,466 38.25,467 1.319,468 21,469 0.724,470 17.25,471 0.595,472 22.359,473 0.771,474 30.6,475 0.577,476 28.793,477 0.993,478 7.811,479 0.269,480 6.287,481 0.217,482 0.072,484 0.254,487 0.724,488 1.101,489 0.82,490 0.988,491 0.643,492 0.927,493 0.491,494 1.089,495 0.934,496 1.08,497 0.452,498 1.068,499 0.886,500 1.123,501 1.083,502 1.128,503 0.905,504 1.135,505 0.999,506 0.954,507 1.004,508 0.943,509 0.994,510 0.969,511 0.849,512 1.142,513 1.052,514 1.138,515 0.808,516 1.125,517 0.806,518 0.999,519 0.927,520 0.991,521 0.777,522 0.98,523 0.755,524 1.019,525 0.88,526 1.003,527 0.73,528 0.963,529 1.32,530 0.961,531 1.078,532 0.937,533 1.29,534 0.963,535 5.5,536 0.174,537 1.778,538 1.563,539 0.956,540 0.625,541 0.567,542 0.321,543 0.267,544 0.214,545 11241,546 31668,547 2.053,548 45.3,549 4,550 12,552 2,553 2,554 2,555 2,558 1.722,559 1.955,560 3.543,561 0.16,563 1,567 76.747,568 1.448,569 3.347,570 4.44,571 5.209,572 5.351,573 5.388,574 2.905,575 4.444,576 4.827,577 3.722,578 1511.01,579 8.424,580 21768.2,582 1,584 1,585 303.58,586 1.233,587 4.804,588 0.177,589 0.006,590 0.044,591 0.041,592 0.027,593 0.017,594 0.016,595 0.009,596 0.008,597 0.007,598 0.354,599 0.17,600 1,601 1.009,602 149.672,603 -0.057,604 0.008,605 0.013,606 0.048,607 -0.049,608 0.042,609 0.177,610 -0.017,611 -0.058,612 -0.068,613 0.155,614 -0.091,615 -0.085,616 -0.127,617 -0.148,618 -0.126,619 -0.096,620 -0.145,621 -0.089,622 0.018,623 -0.019,624 0.036,625 -0.074,626 0.022,627 -0.057,628 -0.142,629 -0.112,630 -0.144,631 -0.012,632 -0.137,633 -0.017,634 -0.037,635 0.045,636 0.001,637 -0.003,638 0.026,639 0.021,640 -0.046,641 0.095,642 -0.02,643 0.014,644 0.04,645 -0.153,646 0.02,647 -0.061,648 0.02,649 -0.157,651 2.473,652 5.204,653 0.621,654 32.683,655 0.998,656 1.117,657 3.111,658 9.677,659 0.675,660 3.466,661 3.714,662 3.871,663 4.078,664 4.263,665 4.234,666 4.344,667 4.419,668 4.5,669 4.522,670 7.289,671 0.641,672 388.5,673 3.466,674 4.963,675 5.759,676 6.592,677 7.404,678 8.243,679 9.064,680 9.906,681 10.731,682 11.576,683 3.8,690 1,693 1,699 12,700 1,704 5,706 18,712 1,724 53,726 20,727 2,728 31,730 55,731 24,733 17,734 4,735 8,736 1,739 3,740 3,751 4,753 19,754 5,756 2,761 2,765 2,769 1,772 24,773 5,774 2,775 5,779 2,784 1,785 3,795 1,802 3,818 1,830 1,832 3,840 29,845 1,846 5,847 1,862 5.7,864 1,865 2,869 14.833,870 9.233,871 6.528,872 3.142,874 2.906,875 1.408,876 0.955,877 7.405,878 10.023,879 3.761,880 4.284,881 4.738,882 5.242,883 5.729,884 5.729,885 6.019,886 6.297,887 6.617,888 6.87,889 0.875,890 38,891 10.72,893 4.45,894 7.868,895 20.364,897 16.297,899 2.368,900 68.667,902 1,903 1,904 258.964,905 146.644,906 34.796,908 92.973,911 146.644,912 351.937,913 34.796,915 30.255,916 94.762,917 138.915,918 34.023,920 235.422,922 258.964,923 181.44,924 92.973,927 235.422,928 116.515,931 48.349,932 116.305,933 16.786,935 258.964,936 127.769,937 146.644,940 258.964,941 33.786,942 112.857,943 18.011,944 109.759,945 258.964,946 127.769,947 146.644,949 0.562,950 0.301,951 0.159,952 0.09,953 16,954 7,955 0.164,956 9,958 1,959 4.192,960 233.198,962 18,963 136.881,968 20.6,969 10.424,970 6.759,972 127.769,973 22.845,974 4.158,978 4.94,980 60.694,981 533.377,982 42,987 23.164,991 -0.9,994 52.905,995 59.192,996 0.253,997 0.584,998 0.775,999 0.909,1000 0.934,1001 0.941,1002 4.945,1003 1.403,1004 5.694,1005 4.266,1006 4.394,1007 4.97,1008 2.544,1009 6.382,1010 4.381,1011 6.113,1012 1.278,1013 7.169,1014 3.026,1015 3.761,1016 4.527,1017 2.243,1018 6.986,1019 3.767,1020 7.375,1021 1,1022 8.738,1023 2.826,1024 5.866,1025 7.039,1026 3.703,1027 10.037,1028 5.848,1029 8.666,1030 1,1031 10.363,1032 2.136,1033 6.019,1034 7.349,1035 4.112,1036 11.457,1037 6.025,1038 9.984,1039 0.828,1040 12.023,1041 2.136,1042 7.577,1043 9.353,1044 5.218,1045 13.982,1046 7.56,1047 11.322,1048 0.554,1049 13.708,1050 1.885,1051 8.128,1052 10.051,1053 5.889,1054 15.77,1055 8.134,1056 12.675,1058 15.412,1059 1.248,1060 9.424,1061 11.798,1062 6.852,1063 18.079,1064 9.412,1065 2.859,1066 -0.141,1067 17.129,1069 10.195,1070 12.726,1071 7.625,1072 20.046,1073 10.201,1074 2.781,1075 8.542,1076 18.856,1077 -0.346,1078 11.357,1079 14.32,1080 8.526,1081 22.259,1082 11.352,1083 2.514,1084 8.478,1085 20.592,1086 3.859,1087 12.249,1088 15.393,1089 9.342,1090 24.313,1091 12.257,1092 2.263,1093 7.187,1094 22.335,1095 3.67,1096 13.344,1097 16.891,1098 10.216,1099 26.483,1100 13.345,1101 2.045,1102 6.109,1103 24.084,1104 3.435,1105 14.302,1106 18.056,1107 11.051,1108 28.58,1109 14.312,1110 1.925,1111 5.595,1112 25.837,1113 2.757,1114 15.364,1115 19.492,1116 11.912,1117 30.732,1118 15.37,1119 1.823,1120 4.973,1121 27.594,1122 2.615,1123 16.358,1124 20.718,1125 12.755,1126 32.85,1127 16.37,1128 10947,1129 18476,1130 20.86,1131 35.75,1132 45.113,1133 46.183,1134 45.277,1135 44.547,1136 44.546,1137 59.457,1138 8.158,1139 116.808,1140 44.192,1141 5.124,1142 5.6,1143 5.82,1144 4.894,1145 4.859,1146 6.859,1147 3.925,1148 14.542,1149 4.857,1150 12.544,1151 1.455,1152 1.49,1153 1.461,1154 1.437,1155 1.437,1156 1.918,1157 0.263,1158 3.768,1159 1.426,1160 4.021,1161 4.051,1162 3.956,1163 3.962,1164 7.474,1165 3.956,1166 3.911,1167 3.938,1168 3.851,1169 3.844,1170 7.429,1171 3.841,1172 3.827,1173 3.867,1174 3.76,1175 3.734,1176 6.351,1177 3.735,1178 3.608,1179 3.651,1180 3.505,1181 3.434,1182 4.905,1183 3.438,1184 3.496,1185 3.545,1186 3.393,1187 3.305,1188 4.732,1189 3.314,1190 3.207,1191 3.252,1192 3.103,1193 3.052,1194 4.68,1195 3.061,1196 3.139,1197 3.169,1198 3.03,1199 2.954,1200 4.118,1201 2.967,1202 2.911,1203 2.962,1204 2.756,1205 2.735,1206 3.921,1207 2.723,1208 0.136,1209 0.116,1210 0.194,1211 0.124,1212 0.092,1213 4.223,1214 0.124,1215 3.6,1216 0.076,1217 6.018,1218 0.276,1219 3.858,1220 0.092,1221 2.859,1222 3.859,1223 2.341,1224 8.542,1225 2.857,1226 1.994,1227 1.968,1228 2.107,1229 2.073,1230 1.338,1231 2.086,1232 1.902,1233 1.877,1234 2.019,1235 1.996,1236 1.108,1237 2.004,1238 1.814,1239 1.777,1240 1.944,1241 1.933,1242 1.095,1243 1.94,1244 1.57,1245 1.522,1246 1.802,1247 1.776,1248 1.055,1249 1.783,1250 1.443,1251 1.389,1252 1.662,1253 1.663,1254 0.813,1255 1.659,1256 1.172,1257 1.128,1258 1.397,1259 1.371,1260 0.545,1261 1.379,1262 1.073,1263 1.042,1264 1.266,1265 1.314,1266 0.333,1267 1.296,1268 0.886,1269 0.821,1270 1.181,1271 1.128,1272 0.224,1273 1.129,1274 4.143,1276 5.407,1278 6.851,1280 8.376,1282 9.945,1289 9.004,1290 2.514,1291 2.943,1300 33.982,1301 76.747,1302 177.367,1303 235.341,1304 276.07,1305 283.58,1306 285.58,1307 60.029,1308 7.117,1309 79.29,1310 79.29,1311 18,1312 12.142,1313 4.392,1314 3.585,1315 52.288,1316 123,1317 126,1318 0.197,1319 212.182,1320 373.31,1321 509.485,1322 11860,1324 20.476,1325 0.706,1326 0.558,1327 20.476,1328 16.175,1329 14.097,1330 0.455,1331 0.311,1332 9.576,1333 13.737,1334 9.356,1335 7.778,1336 14.097,1337 9.656,1338 12.322,1339 0.308,1340 0.174,1341 12.322,1342 6.961,1343 9.27,1344 0.197,1345 0.098,1346 9.27,1347 4.606,1348 7.497,1349 0.129,1350 0.056,1351 7.497,1352 3.232,1353 5.985,1354 0.086,1355 0.031,1356 5.985,1357 2.195,1358 0.313,1359 87.27,1360 0.219,1361 28.012,1362 0.529,1363 142,1364 415.599,1365 151.751,1366 407.248,1367 538.77,1368 378,1369 158,1370 374.106,1371 165.815,1372 383.855,1373 545.64,1374 360,1375 7.658} {0 CHEMBL119841,1 1.361,2 9.25,3 3.789,4 14.356,5 94.06,6 7.81,7 0.852,8 3.795,9 3.912,10 3.424,11 3.432,12 4.936,13 3.408,14 4.259,15 4.412,16 3.737,17 3.788,18 5.364,19 3.743,20 4.483,21 4.687,22 3.77,23 3.859,24 5.499,25 3.79,26 4.476,27 4.713,28 3.656,29 3.739,30 5.491,31 3.669,32 4.371,33 4.59,34 3.617,35 3.723,36 5.358,37 3.656,38 4.367,39 4.575,40 3.607,41 3.775,42 5.366,43 3.695,44 4.398,45 4.606,46 3.579,47 3.809,48 5.379,49 3.707,50 4.402,51 4.642,52 3.39,53 3.726,54 5.333,55 3.593,56 0.025,57 0.577,58 7.03,59 3.21,60 6.526,61 4.158,62 0.115,63 0.935,64 12.249,65 5.18,66 13.745,67 6.806,68 0.09,69 1.137,70 17.32,71 6.92,72 18.872,73 9.426,74 0.253,75 1.18,76 18.573,77 6.293,78 28.546,79 8.564,80 0.139,81 1.028,82 16.087,83 5.858,84 18.837,85 7.929,86 0.161,87 1.014,88 15.608,89 6.005,90 19.185,91 8.072,92 0.092,93 1.002,94 16.07,95 6.842,96 18.229,97 9.344,98 0.124,99 0.992,100 17.32,101 7.058,102 21.953,103 9.76,105 36,106 0.236,107 0.511,108 0.681,109 0.838,110 0.879,111 0.879,112 3.229,113 0.872,114 -4.93,115 -4.84,116 -4.54,118 50,124 1,140 11,141 3,143 2,144 1,145 1,147 1,168 12,171 1,172 7,175 1,177 2,180 11,186 6,191 3,194 5,197 2,198 6,201 1,203 5,206 3,210 3,215 3,218 7,222 5,225 1,227 1,229 12,234 5,242 14,247 4,255 13,259 3,267 9,270 856,271 16.913,272 16.913,273 16.913,274 16.913,275 16.913,276 14.215,277 9.712,278 10.41,279 17.14,280 13.403,281 13.403,282 13.403,283 13.403,284 13.403,285 9.476,286 15.848,287 5.012,288 13.784,289 3.961,290 2.373,291 1.392,292 0.49,293 0.25,294 0.25,295 3.937,298 1,299 1,300 1,301 491,302 2.236,306 249.402,310 97.73,313 1.354,314 11.661,315 1,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 50,326 222,327 4.559,328 3.159,329 6.566,330 4.081,331 3.118,332 4.491,333 0.657,334 10.458,335 3.003,336 4.079,337 2.766,338 6.073,339 3.673,340 2.692,341 3.677,343 8.791,344 2.639,345 3.898,346 2.675,347 5.367,348 3.512,349 2.518,350 3.446,352 7.011,353 2.502,354 3.5,355 2.187,356 5.192,357 3.041,358 2.093,359 2.905,361 6.262,362 1.981,363 3.316,364 1.832,365 4.543,366 2.779,367 1.83,368 2.706,370 4.677,371 1.734,372 2.927,373 1.606,374 3.896,375 2.498,376 1.505,377 2.126,379 3.273,380 1.494,381 2.918,382 1.433,383 3.634,384 2.416,385 1.432,386 2.094,388 3.089,389 1.408,390 2.661,391 1.218,392 3.588,393 2.159,394 1.186,395 1.738,397 2.8,398 1.152,399 2.5,400 1.058,401 3.463,402 2,403 1,404 1.5,406 2.459,407 1,408 2.5,409 1,410 3.247,411 1.968,412 1,413 1.5,415 2.136,416 0.965,417 2.427,418 1,419 3.247,420 1.95,421 1,422 1.398,424 2.136,425 0.947,426 1.805,427 0.669,428 3.076,429 1.476,430 0.531,431 0.66,433 1.265,434 0.5,435 1.178,436 -0.097,437 2.664,438 0.734,439 -0.221,440 -0.297,442 -0.575,443 -0.21,444 0.948,445 -0.403,446 2.523,447 0.478,448 -0.478,449 -0.639,451 -1.205,452 -0.455,453 0.751,454 -0.599,455 2.18,456 0.313,457 -0.667,458 -0.94,460 -1.64,461 -0.652,462 11.6,463 0.483,464 0.359,465 0.015,466 38,467 1.583,468 22.5,469 0.938,470 15.5,471 0.646,472 13.674,473 0.57,474 23.2,475 0.58,476 25.002,477 1.042,478 7.658,479 0.319,480 4.24,481 0.177,484 0.259,487 0.89,488 1.149,489 0.734,490 0.913,491 0.85,492 0.828,493 0.943,494 1.074,495 0.93,496 1.004,497 0.951,498 0.973,499 1.014,500 1.307,501 0.92,502 1.103,503 0.912,504 1.021,505 1.466,506 0.98,507 1.046,508 0.885,509 1.218,510 0.915,511 1.41,512 1.05,513 0.98,514 0.889,515 1.071,516 0.89,517 1.25,518 0.853,519 1.057,520 0.888,521 1.117,522 0.94,523 0.835,524 1.006,525 1.021,526 1.068,527 0.895,528 1.065,529 0.926,530 0.89,531 1.102,532 1.039,533 1.066,534 1.079,535 3,536 0.016,537 2,538 0.875,539 1.009,540 0.66,541 0.267,542 0.233,543 0.139,544 0.031,545 6597,546 15962,547 2.213,548 40,550 13,552 2,553 1,558 1.673,559 2.182,560 3.208,561 -0.383,563 1,565 1,567 54.439,568 1.361,569 2.949,570 3.93,571 4.832,572 5.072,573 5.072,574 2.669,575 3.887,576 4.555,577 3.329,578 918.821,579 7.886,580 10756.1,581 1,582 1,583 1,584 1,585 212.877,586 0.811,587 4.56,588 0.111,589 0.002,590 0.056,591 0.024,592 0.033,593 0.021,594 0.009,595 0.008,596 0.006,597 0.002,598 0.271,599 0.33,600 1,602 113.098,603 -0.02,604 -0.115,605 0.054,606 -0.016,607 -0.057,608 0.019,609 0.099,610 -0.027,611 -0.079,612 -0.104,613 -0.039,614 -0.109,615 0.031,616 -0.309,617 0.027,618 -0.157,619 0.067,620 -0.083,621 0.032,622 0.105,623 -0.027,624 0.027,625 0.007,627 -0.168,628 -0.009,629 -0.003,630 0.043,631 -0.034,632 0.038,633 -0.155,634 0.17,635 -0.113,636 0.054,637 -0.136,638 -0.01,639 -0.065,640 -0.066,641 -0.085,642 -0.08,643 -0.023,644 -0.084,645 -0.124,646 0.036,647 -0.112,648 -0.028,649 -0.118,650 -0.061,651 0.989,652 1.724,653 0.917,654 20,655 0.993,656 1.112,657 3.705,658 13.725,659 0.715,660 3.332,661 3.611,662 3.892,663 4.159,664 4.431,665 4.454,666 4.635,667 4.754,668 4.868,669 4.844,670 5.618,671 0.681,672 312.4,673 3.332,674 4.844,675 5.687,676 6.547,677 7.408,678 8.278,679 9.148,680 10.025,681 10.9,682 11.781,683 10,688 1,693 3,698 2,699 13,700 3,704 4,706 23,717 1,724 40,726 23,727 2,728 27,730 43,731 20,733 19,734 3,735 9,739 4,740 5,753 19,754 1,769 1,772 16,773 4,774 1,775 4,779 4,784 0.75,795 1,796 1,802 4,806 1,832 3,840 24,846 1,847 1,869 11,870 7.183,871 5.333,872 2.333,874 4.116,875 1.565,876 1.043,877 3.971,878 11.399,879 3.676,880 4.297,881 4.931,882 5.548,883 6.165,884 6.415,885 6.917,886 7.365,887 7.818,888 8.044,889 1,890 36,891 8.805,893 3.688,894 7.542,895 17.021,897 13.83,899 2.042,900 49,903 1,904 176.567,905 140.183,906 68.367,911 140.183,912 176.567,913 68.367,915 2.106,916 104.239,917 91.91,918 31.511,919 2.328,920 153.024,922 176.567,923 208.551,927 178.894,931 22.345,932 115.511,933 68.367,935 176.567,936 68.367,937 140.183,940 176.567,941 17.85,942 122.334,943 18.011,944 50.357,945 176.567,946 68.367,947 140.183,949 0.564,950 0.329,951 0.186,952 0.106,953 18,954 6,955 0.093,956 4,957 1,958 1.091,959 3.742,960 198.376,961 0.091,962 22,963 106.039,968 14.498,969 6.573,970 3.175,971 1.933,972 68.367,973 25.715,974 13.558,978 3.634,980 18.011,981 385.117,982 38.5,994 39.709,995 44.484,996 0.256,997 0.554,998 0.739,999 0.908,1000 0.953,1001 0.953,1002 4.858,1003 1.186,1004 5.624,1005 3.089,1006 4.29,1007 4.984,1008 0.623,1009 6.389,1010 4.233,1011 6.051,1012 1,1013 7.14,1014 2.8,1015 3.611,1016 4.559,1018 7.182,1019 3.53,1020 7.337,1021 1,1022 8.762,1023 2.459,1024 5.82,1025 7.217,1026 0.317,1027 10.314,1028 5.705,1029 8.663,1030 1,1031 10.452,1032 2.136,1033 6.043,1034 7.707,1036 12.007,1037 5.898,1038 10.025,1039 0.531,1040 12.187,1041 2.136,1042 7.642,1043 9.746,1044 0.149,1045 14.616,1046 7.467,1047 11.414,1048 -0.221,1049 13.954,1050 1.265,1051 8.313,1052 10.711,1054 16.671,1055 8.102,1056 12.825,1057 -0.478,1058 15.743,1059 -0.575,1060 9.635,1061 12.458,1062 0.067,1063 19.101,1064 9.395,1065 3.118,1066 -0.667,1067 17.548,1068 -1.205,1069 10.534,1070 13.679,1072 21.312,1073 10.254,1074 2.692,1075 10.458,1076 19.365,1077 -1.64,1078 11.734,1079 15.286,1080 0.03,1081 23.679,1082 11.421,1083 2.518,1084 8.791,1085 21.192,1086 4.491,1087 12.747,1088 16.643,1090 25.958,1091 12.392,1092 2.093,1093 7.011,1094 23.026,1095 3.677,1096 13.896,1097 18.185,1098 0.013,1099 28.305,1100 13.505,1101 1.83,1102 6.262,1103 24.866,1104 3.446,1105 14.966,1106 19.613,1108 30.616,1109 14.532,1110 1.505,1111 4.677,1112 26.711,1113 2.905,1114 16.097,1115 21.128,1116 0.006,1117 32.956,1118 15.625,1119 1.432,1120 3.273,1121 28.56,1122 2.706,1123 17.195,1124 22.591,1126 35.282,1127 16.68,1128 6151,1129 9693,1130 19.068,1131 28.591,1132 39.96,1133 39.891,1134 39.781,1135 39.815,1136 39.812,1137 56.479,1138 1.315,1139 108.714,1140 38.65,1141 5.388,1142 5.159,1143 6.368,1144 5.155,1145 5.118,1146 7.491,1147 1.315,1148 17.408,1149 5.003,1151 1.48,1152 1.477,1153 1.473,1154 1.475,1155 1.475,1156 2.092,1157 0.049,1158 4.026,1159 1.431,1160 4.085,1161 4.12,1162 4.054,1163 3.992,1164 5.086,1165 4.002,1166 3.898,1167 3.931,1168 3.824,1169 3.839,1170 4.847,1171 3.832,1172 3.824,1173 3.863,1174 3.764,1175 3.735,1176 4.752,1177 3.737,1178 3.425,1179 3.493,1180 3.341,1181 3.252,1182 4.447,1183 3.267,1184 3.221,1185 3.293,1186 3.119,1187 3.051,1188 4.17,1189 3.056,1190 2.954,1191 3.01,1192 2.844,1193 2.85,1194 3.814,1195 2.842,1196 2.854,1197 2.925,1198 2.694,1199 2.735,1200 3.797,1201 2.715,1202 2.817,1203 2.88,1204 2.687,1205 2.716,1206 3.674,1207 2.704,1208 0.169,1209 0.117,1210 0.243,1211 0.151,1212 0.115,1213 4.559,1214 0.166,1215 3.159,1216 0.024,1217 6.566,1218 0.387,1219 4.081,1220 0.111,1221 3.118,1222 4.491,1223 0.657,1224 10.458,1225 3.003,1226 2.026,1227 1.997,1228 2.096,1229 2.137,1230 1.202,1231 2.125,1232 1.903,1233 1.873,1234 2.03,1235 1.988,1236 1.13,1237 2.004,1238 1.806,1239 1.771,1240 1.92,1241 1.921,1242 0.956,1243 1.924,1244 1.377,1245 1.315,1246 1.571,1247 1.59,1248 0.69,1249 1.591,1250 1.185,1251 1.122,1252 1.365,1253 1.389,1254 0.416,1255 1.388,1256 0.96,1257 0.91,1258 1.185,1259 1.114,1260 0.257,1261 1.14,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.836,1269 0.782,1270 1.09,1271 1.005,1272 0.167,1273 1.037,1274 4.007,1276 5.293,1278 6.797,1280 8.396,1282 10.046,1290 0.717,1291 3.443,1300 27.246,1301 54.439,1302 117.963,1303 157.214,1304 193.267,1305 202.877,1306 202.877,1307 24.884,1308 7.283,1309 50.7,1310 50.7,1311 24,1312 12.318,1313 4.585,1314 3.644,1315 33.665,1316 78,1317 84,1318 0.205,1319 168.019,1320 276.48,1321 401.728,1322 14018,1324 16.192,1325 0.675,1326 0.544,1327 16.192,1328 13.054,1329 11.899,1330 0.441,1331 0.291,1332 7.783,1333 11.64,1334 7.618,1335 6.349,1336 11.899,1337 7.85,1338 10.179,1339 0.283,1340 0.153,1341 10.179,1342 5.494,1343 8.771,1344 0.183,1345 0.08,1346 8.771,1347 3.826,1348 7.446,1349 0.118,1350 0.042,1351 7.446,1352 2.617,1353 6.36,1354 0.077,1355 0.022,1356 6.36,1357 1.808,1358 0.315,1359 73.164,1360 0.229,1361 23.289,1362 0.582,1363 126,1364 321.268,1365 133.327,1366 325.354,1367 461.84,1368 308,1369 147,1370 352.437,1371 155.16,1372 362.731,1373 528.7,1374 343,1375 5.237} {0 CHEMBL12020,1 1.426,2 13.457,3 5.848,4 34.2,5 134.875,6 7.054,7 0.474,8 4.278,9 4.387,10 3.794,11 3.837,12 5.364,13 3.801,14 4.818,15 4.98,16 4.105,17 4.221,18 5.869,19 4.154,20 5.112,21 5.321,22 4.192,23 4.364,24 6.086,25 4.27,26 5.182,27 5.411,28 4.176,29 4.359,30 6.065,31 4.262,32 5.171,33 5.388,34 4.208,35 4.391,36 6.12,37 4.301,38 5.249,39 5.484,40 4.203,41 4.447,42 6.16,43 4.336,44 5.267,45 5.501,46 4.165,47 4.473,48 6.177,49 4.342,50 5.311,51 5.57,52 4.07,53 4.469,54 6.152,55 4.309,56 0.086,57 0.883,58 14.435,59 6.739,60 14.109,61 8.671,62 0.235,63 1.445,64 26.415,65 11.202,66 45.113,67 14.848,68 0.493,69 1.858,70 37.518,71 14.352,72 67.305,73 19.6,74 0.465,75 1.947,76 41.281,77 14.918,78 52.828,79 20.472,80 0.44,81 1.991,82 40.252,83 14.482,84 56.794,85 19.815,86 0.438,87 2.099,88 43.951,89 16.325,90 59.738,91 22.518,92 0.376,93 2.133,94 44.325,95 17.24,96 65.835,97 23.758,98 0.494,99 2.193,100 47.261,101 18.107,102 79.643,103 25.433,104 19,105 50,106 0.225,107 0.54,108 0.745,109 0.866,110 0.894,111 0.894,112 3.588,113 0.967,114 -4.98,115 -4.88,116 -4.58,118 43.3,119 1,120 6,121 1,124 1,126 1,140 10,141 4,142 1,143 2,152 1,154 1,162 1,163 1,167 1,168 20,172 8,173 1,175 1,180 23,185 1,186 13,189 1,194 19,197 1,198 15,206 16,207 2,209 1,210 14,215 2,218 17,219 3,222 11,227 3,229 20,230 3,234 9,239 3,242 24,243 1,246 1,247 6,252 1,255 25,256 1,258 1,259 6,264 1,267 23,270 2432,271 24.129,272 24.129,273 24.129,274 24.129,275 24.129,276 21.432,277 22.301,278 14.87,279 24.417,280 18.795,281 18.795,282 18.795,283 18.795,284 18.795,285 14.869,286 20.773,287 7.036,288 19.249,289 4.64,290 2.641,291 1.343,292 0.578,293 0.399,294 0.399,295 4.288,300 1,301 1007,302 4.359,306 474.341,310 180.286,313 2.101,314 29.866,317 1,318 0.67,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.76,325 75,326 471,327 4.388,328 4.114,329 6.521,330 4.05,331 3.064,332 4.029,333 2.69,334 10.265,335 3.022,336 4.252,337 3.631,338 6.499,339 3.983,340 3.009,341 3.731,342 2.423,343 10.177,344 2.927,345 3.863,346 3.322,347 5.594,348 3.583,349 2.604,350 3.298,351 1.485,352 7.714,353 2.55,354 3.736,355 3.28,356 5.247,357 3.27,358 2.288,359 3.106,360 0.922,361 6.533,362 2.259,363 3.576,364 2.797,365 5.247,366 3.253,367 2.278,368 2.761,369 0.555,370 6.4,371 2.192,372 3.414,373 2.539,374 4.898,375 3.118,376 2.128,377 2.595,379 5.558,380 2.09,381 3.138,382 2.361,383 4.623,384 2.827,385 1.847,386 2.353,388 5.016,389 1.804,390 3.085,391 2.034,392 4.188,393 2.691,394 1.725,395 2.204,397 3.919,398 1.661,399 2.885,400 1.818,401 4.171,402 2.512,403 1.516,404 2.007,406 3.772,407 1.508,408 2.781,409 1.753,410 3.555,411 2.301,412 1.317,413 1.908,415 2.88,416 1.294,417 2.5,418 1.447,419 3.47,420 2.171,421 1.191,422 1.5,424 2.541,425 1.163,426 2.5,427 1.38,428 3.414,429 2,430 1.028,431 1.5,433 2.335,434 1,435 2.345,436 1.139,437 3.247,438 1.996,439 1,440 1.32,442 2.136,443 0.988,444 2.163,445 1.023,446 3.247,447 1.956,448 1,449 1.131,451 2.136,452 0.954,453 2.066,454 1,455 3.159,456 1.864,457 0.901,458 1.002,460 1.733,461 0.861,462 16.633,463 0.475,464 0.623,465 0.018,466 42.75,467 1.221,468 21.5,469 0.614,470 21.25,471 0.607,472 34.284,473 0.98,474 37.967,475 0.567,476 33.108,477 0.946,478 8.312,479 0.237,480 8.824,481 0.252,482 0.07,484 0.271,487 0.718,488 1.136,489 0.835,490 1.083,491 0.696,492 0.997,493 0.792,494 1.165,495 0.948,496 1.127,497 0.521,498 1.071,499 0.866,500 1.086,501 0.989,502 1.06,503 0.788,504 1.042,505 1.13,506 1.022,507 0.98,508 0.959,509 0.555,510 0.949,511 1.177,512 1.038,513 1.072,514 0.993,515 0.696,516 1.005,517 1.035,518 0.988,519 0.996,520 0.956,521 0.83,522 0.965,523 0.896,524 1.067,525 1.045,526 1.081,527 1.025,528 1.085,529 0.779,530 0.94,531 1.012,532 0.987,533 1.012,534 1.027,535 5.5,536 0.223,537 3.111,538 1.875,539 1.249,540 0.91,541 0.768,542 0.542,543 0.352,544 0.203,545 18564,546 48329,547 2.092,548 47.8,549 12,550 13,552 2,553 1,554 4,558 1.769,559 2,560 3.693,561 -0.43,567 95.547,568 1.426,569 3.425,570 4.723,571 5.488,572 5.667,573 5.667,574 3.13,575 4.444,576 5.101,577 3.904,578 2323.14,579 8.967,580 37266.6,585 406.428,586 1.206,587 5.08,588 0.145,589 0.006,590 0.062,591 0.036,592 0.024,593 0.017,594 0.014,595 0.011,596 0.008,597 0.005,598 0.329,599 0.17,600 0.75,601 1.069,602 190.768,603 0.062,604 0.003,605 0.049,606 0.012,607 -0.002,608 0.023,609 0.064,610 -0.094,611 -0.023,612 -0.079,613 0.15,614 -0.066,615 0.097,616 -0.062,617 -0.02,618 -0.062,619 0.036,620 -0.057,621 -0.055,622 -0.023,623 0.017,624 0.014,625 0.009,626 0.022,627 -0.119,628 0.01,629 -0.084,630 -0.025,631 -0.018,632 -0.044,633 -0.09,634 0.01,635 -0.015,636 0.027,637 -0.018,638 0.019,639 -0.064,640 -0.08,641 -0.083,642 -0.081,643 -0.071,644 -0.084,645 -0.026,646 0.022,647 -0.046,648 0.003,649 -0.099,650 -0.021,651 2.628,652 3.913,653 0.629,654 38.929,655 0.997,656 1.12,657 3.752,658 14.076,659 0.66,660 3.664,661 3.932,662 4.174,663 4.431,664 4.663,665 4.7,666 4.836,667 4.942,668 4.997,669 4.956,670 8.058,671 0.624,672 472.63,673 3.664,674 5.176,675 6.004,676 6.86,677 7.708,678 8.573,679 9.431,680 10.301,681 11.163,682 12.035,683 3,692 1,693 1,699 12,700 1,704 5,706 18,722 1,724 67,726 20,727 2,728 38,730 70,731 29,733 17,734 4,735 8,739 4,740 5,745 1,748 3,749 1,751 7,753 19,754 10,755 1,756 2,761 1,764 1,765 2,772 32,773 6,774 1,775 6,779 2,784 0.75,785 4,795 1,802 4,806 1,813 1,818 1,830 1,832 3,836 1,840 35,845 1,846 7,848 2,850 2,862 6,864 1,865 1,867 2,869 17.5,870 12.017,871 7.944,872 4.294,874 2.876,875 1.372,876 0.945,877 8.914,878 10.618,879 3.912,880 4.425,881 4.9,882 5.405,883 5.904,884 5.97,885 6.311,886 6.63,887 6.886,888 6.999,889 0.889,890 52,891 12.964,893 5.41,894 7.695,895 25.072,897 20.517,899 2.195,900 76.833,904 364.904,905 163.134,906 36.185,908 90.047,911 163.134,912 454.951,913 36.185,914 8.825,915 19.8,916 94.762,917 111.823,918 77.699,920 341.362,922 364.904,923 199.32,924 90.047,927 364.904,928 90.047,931 66.119,932 116.415,933 16.786,935 364.904,936 126.232,937 163.134,940 364.904,941 41.452,942 121.683,944 126.232,945 364.904,946 126.232,947 163.134,949 0.56,950 0.316,951 0.179,952 0.103,953 21,954 9,955 0.157,956 11,957 1,958 1.091,959 4.594,960 320.128,961 0.091,962 22,963 175.525,968 24.94,969 12.51,970 6.926,972 126.232,973 23.558,974 4.268,978 5.074,980 42.683,981 654.271,982 49,987 10.913,990 4.682,991 0.112,994 66.767,995 75.062,996 0.235,997 0.565,998 0.779,999 0.905,1000 0.934,1001 0.934,1002 5.121,1003 1.725,1004 5.948,1005 5.016,1006 4.615,1007 5.112,1008 3.405,1009 6.706,1010 4.569,1011 6.28,1012 1.516,1013 7.465,1014 3.919,1015 4.007,1016 4.649,1017 2.661,1018 7.516,1019 3.947,1020 7.549,1021 1.317,1022 9.086,1023 3.772,1024 6.142,1025 7.164,1026 4.996,1027 10.623,1028 6.055,1029 8.85,1030 1.191,1031 10.773,1032 2.88,1033 6.399,1034 7.523,1035 4.661,1036 12.327,1037 6.293,1038 10.184,1039 1.028,1040 12.505,1041 2.541,1042 7.953,1043 9.496,1044 6.807,1045 14.927,1046 7.826,1047 11.542,1048 1,1049 14.269,1050 2.335,1051 8.636,1052 10.274,1053 6.627,1054 16.995,1055 8.489,1056 12.918,1057 1,1058 16.056,1059 2.136,1060 9.933,1061 11.986,1062 8.682,1063 19.42,1064 9.769,1065 3.064,1066 0.901,1067 17.861,1068 2.136,1069 10.833,1070 13.004,1071 8.589,1072 21.638,1073 10.648,1074 3.009,1075 10.265,1076 19.679,1077 1.733,1078 12.017,1079 14.571,1080 10.581,1081 24,1082 11.815,1083 2.604,1084 10.177,1085 21.507,1086 4.029,1087 13.025,1088 15.732,1089 10.556,1090 26.279,1091 12.802,1092 2.288,1093 7.714,1094 23.344,1095 3.731,1096 14.161,1097 17.218,1098 12.492,1099 28.618,1100 13.92,1101 2.278,1102 6.533,1103 25.188,1104 3.298,1105 15.22,1106 18.465,1107 12.53,1108 30.922,1109 14.96,1110 2.128,1111 6.4,1112 27.037,1113 3.106,1114 16.337,1115 19.904,1116 14.411,1117 33.252,1118 16.06,1119 1.847,1120 5.558,1121 28.89,1122 2.761,1123 17.422,1124 21.204,1125 14.511,1126 35.568,1127 17.126,1128 17786,1129 28875,1130 25.83,1131 44.25,1132 55.8,1133 57.993,1134 56.577,1135 55.222,1136 55.253,1137 70.558,1138 16.15,1139 149.646,1140 53.895,1141 5.336,1142 6.114,1143 6.323,1144 5.093,1145 5.064,1146 7.029,1147 5.255,1148 17.11,1149 5.022,1150 14.53,1151 1.468,1152 1.526,1153 1.489,1154 1.453,1155 1.454,1156 1.857,1157 0.425,1158 3.938,1159 1.418,1160 4.04,1161 4.07,1162 3.973,1163 3.969,1164 7.474,1165 3.965,1166 3.962,1167 3.989,1168 3.903,1169 3.893,1170 6.351,1171 3.891,1172 3.788,1173 3.828,1174 3.716,1175 3.7,1176 4.984,1177 3.699,1178 3.74,1179 3.79,1180 3.639,1181 3.619,1182 4.824,1183 3.614,1184 3.572,1185 3.614,1186 3.475,1187 3.414,1188 4.809,1189 3.401,1190 3.486,1191 3.512,1192 3.351,1193 3.248,1194 4.7,1195 3.287,1196 3.307,1197 3.371,1198 3.172,1199 3.113,1200 4.309,1201 3.112,1202 3.168,1203 3.224,1204 3.017,1205 3.031,1206 4.147,1207 3.022,1208 0.115,1209 0.108,1210 0.172,1211 0.107,1212 0.081,1213 4.388,1214 0.106,1215 4.114,1216 0.071,1217 6.521,1218 0.27,1219 4.05,1220 0.08,1221 3.064,1222 4.029,1223 2.69,1224 10.265,1225 3.022,1226 2.005,1227 1.979,1228 2.137,1229 2.097,1230 1.488,1231 2.111,1232 1.945,1233 1.92,1234 2.055,1235 2.04,1236 1.211,1237 2.045,1238 1.779,1239 1.743,1240 1.95,1241 1.894,1242 1.187,1243 1.91,1244 1.732,1245 1.683,1246 1.907,1247 1.888,1248 1,1249 1.901,1250 1.558,1251 1.5,1252 1.794,1253 1.746,1254 0.939,1255 1.757,1256 1.38,1257 1.363,1258 1.581,1259 1.654,1260 0.814,1261 1.632,1262 1.28,1263 1.212,1264 1.566,1265 1.509,1266 0.707,1267 1.524,1268 1.158,1269 1.11,1270 1.414,1271 1.359,1272 0.618,1273 1.376,1274 4.344,1276 5.624,1278 7.104,1280 8.679,1282 10.305,1284 2.16,1289 8.952,1290 5.257,1292 11.707,1294 0.15,1300 41.804,1301 95.547,1302 229.479,1303 316.454,1304 367.673,1305 379.673,1306 379.673,1307 69.308,1308 7.742,1309 81.01,1310 81.01,1311 24,1312 12.579,1313 4.392,1314 3.585,1315 59.417,1316 168,1317 178,1318 0.167,1319 256.747,1320 456.24,1321 618.223,1322 25503,1324 24.46,1325 0.699,1326 0.574,1327 24.46,1328 20.099,1329 17.135,1330 0.451,1331 0.322,1332 12.133,1333 16.601,1334 11.844,1335 9.86,1336 17.135,1337 12.254,1338 14.693,1339 0.294,1340 0.18,1341 14.693,1342 8.979,1343 11.802,1344 0.184,1345 0.099,1346 11.802,1347 6.332,1348 9.982,1349 0.12,1350 0.057,1351 9.982,1352 4.704,1353 8.268,1354 0.079,1355 0.032,1356 8.268,1357 3.36,1358 0.266,1359 106.737,1360 0.197,1361 32.423,1362 0.447,1363 176,1364 500.647,1365 190.623,1366 480.014,1367 649.8,1368 450,1369 202,1370 471.348,1371 216.681,1372 474.145,1373 683.9,1374 446,1375 4.071} {0 CHEMBL1202293,1 1.805,2 8.033,3 3.075,4 9.457,5 111.422,6 8.508,7 0.344,8 4.041,9 4.137,10 3.701,11 3.539,12 5.268,13 3.549,14 4.558,15 4.713,16 4.076,17 3.909,18 5.794,19 3.905,20 4.726,21 4.877,22 4.226,23 4.087,24 5.912,25 4.072,26 4.906,27 5.035,28 4.448,29 4.192,30 6.305,31 4.203,32 5.032,33 5.173,34 4.526,35 4.304,36 6.321,37 4.314,38 5.188,39 5.337,40 4.738,41 4.38,42 6.76,43 4.384,44 5.279,45 5.473,46 4.355,47 4.344,48 6.52,49 4.276,50 5.14,51 5.377,52 4.023,53 4.174,54 6.28,55 4.048,56 0.165,57 0.769,58 8.411,59 4.645,60 14.966,61 5.276,62 0.629,63 1.187,64 18.817,65 7.399,66 47.043,67 8.79,68 0.548,69 1.432,70 22.91,71 9.356,72 57.793,73 10.696,74 0.963,75 1.608,76 29.86,77 10.868,78 112.802,79 11.615,80 0.942,81 1.826,82 31.823,83 12.12,84 99.717,85 13.267,86 1.839,87 2.065,88 40.526,89 13.731,90 197.288,91 16.284,92 1.704,93 2.11,94 52.167,95 15.426,96 165.41,97 17.717,98 1.266,99 1.818,100 48.144,101 14.286,102 130.472,103 17.596,104 59,105 45,106 0.303,107 0.696,108 0.875,109 0.891,110 0.891,111 0.891,112 3.442,113 0.899,114 -3.72,115 -3.68,116 -3.5,118 41.2,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 3,141 1,142 2,143 1,149 1,152 1,154 1,156 1,168 5,171 2,172 7,175 1,177 1,180 9,185 1,186 5,191 1,194 6,197 3,198 10,201 1,203 3,206 11,209 2,210 4,213 1,218 3,221 2,222 15,225 2,227 4,229 5,233 3,234 11,237 1,239 1,242 1,247 3,255 4,258 2,259 4,267 1,270 1518,271 20.052,272 20.052,273 20.052,274 20.052,275 20.052,276 17.687,277 23.398,278 11.812,279 20.746,280 15.655,281 15.655,282 15.655,283 15.655,284 15.655,285 12.108,286 27.199,287 5.383,288 16.601,289 3.867,290 1.521,291 0.451,292 0.358,293 0.358,294 0.358,295 4.115,297 1,299 1,300 1,301 497,302 3.808,305 87.106,306 195.681,313 1.104,314 50.829,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 67.333,326 241,327 4.706,328 3.931,329 7.235,330 4.392,331 3.407,332 4.23,333 1.674,334 12.84,335 3.354,336 4.259,337 3.533,338 6.401,339 3.813,340 2.867,341 3.86,342 1.36,343 9.662,344 2.708,345 4.122,346 3.297,347 6.321,348 3.714,349 2.732,350 3.539,351 1.216,352 9.308,353 2.664,354 3.909,355 2.905,356 5.483,357 3.439,358 2.511,359 3.429,360 1.115,361 7.249,362 2.325,363 3.49,364 2.739,365 5.118,366 3.048,367 2.098,368 2.676,369 0.522,370 5.989,371 1.981,372 3.232,373 2.607,374 4.917,375 2.768,376 1.879,377 2.481,379 5.104,380 1.733,381 3.136,382 2.428,383 4.841,384 2.741,385 1.793,386 2.238,388 5.024,389 1.668,390 3.007,391 2.295,392 4.715,393 2.71,394 1.747,395 2.099,397 4.656,398 1.551,399 2.582,400 1.558,401 3.916,402 2.225,403 1.261,404 1.601,406 2.949,407 1.204,408 2.563,409 1.461,410 3.598,411 2.072,412 1.146,413 1.557,415 2.577,416 1.055,417 2.118,418 1.346,419 3.305,420 1.876,421 0.945,422 1.018,424 1.672,425 0.869,426 2.078,427 1.272,428 3.227,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.513,436 0.967,437 3,438 1.31,439 0.421,440 0.44,442 0.778,443 0.366,444 1.36,445 0.745,446 2.751,447 1.053,448 0.123,449 0.137,451 0.304,452 0.105,453 1.283,454 0.618,455 2.591,456 0.929,457 -0.032,458 -0.04,460 -0.061,461 -0.029,462 14.033,463 0.468,464 0.789,465 0.026,466 35.75,467 1.192,468 16,469 0.533,470 19.75,471 0.658,472 30.154,473 1.005,474 33.367,475 0.654,476 32.199,477 1.073,478 7.574,479 0.252,480 6.809,481 0.227,482 0.226,484 0.385,486 1,487 0.756,488 1.268,489 0.613,490 1.105,491 0.657,492 0.957,493 0.812,494 0.906,495 0.662,496 0.74,497 0.581,498 0.731,499 0.987,500 1.063,501 0.871,502 0.961,503 0.942,504 0.902,505 1.213,506 1.151,507 0.997,508 1.06,509 1.351,510 0.956,511 1.241,512 1.114,513 0.89,514 0.973,515 1.261,516 0.898,517 0.631,518 1.129,519 0.77,520 1.163,521 0.614,522 1.038,523 1.406,524 1.009,525 1.388,526 1.099,527 1.421,528 1.186,529 1.214,530 1.037,531 1.324,532 1.078,533 1.182,534 1.173,535 5.5,536 0.025,537 3.333,538 3.097,539 2.404,540 2.451,541 1.157,542 0.806,543 0.267,544 0.16,545 8705,546 30747,547 1.974,548 41.2,549 1,550 10,551 1,552 2,553 1,555 6,558 1.745,559 1.8,560 2.923,561 -0.283,563 1,567 92.061,568 1.805,569 4.151,570 5.221,571 5.314,572 5.314,573 5.314,574 2.359,575 4.165,576 4.877,577 3.13,578 1361.61,579 8.6,580 18266.6,582 1,584 1,585 289.294,586 1.549,587 4.808,588 0.172,589 0.006,590 0.074,591 0.061,592 0.04,593 0.037,594 0.016,595 0.016,596 0.008,597 0.008,598 0.438,599 0.33,600 1,601 1.338,602 147.951,603 -0.069,604 -0.202,605 0.019,606 -0.098,607 -0.07,608 -0.029,609 0.036,610 0.094,611 0.111,612 0.221,613 0.071,614 0.204,615 -0.123,616 0.011,617 -0.003,618 0.046,619 -0.111,620 0.054,621 -0.065,622 -0.05,623 -0.028,624 -0.053,625 -0.072,626 -0.039,627 -0.157,628 -0.092,629 -0.003,630 0.007,631 -0.164,632 0.021,633 0.468,634 -0.083,635 0.193,636 -0.184,637 0.471,638 -0.11,639 -0.213,640 -0.003,641 -0.311,642 -0.125,643 -0.234,644 -0.237,645 -0.211,646 -0.071,647 -0.222,648 -0.088,649 -0.151,650 -0.155,651 2.409,652 6.97,653 0.567,654 24.067,655 1.025,656 1.133,657 2.488,658 6.191,659 0.671,660 3.497,661 3.829,662 4.143,663 4.477,664 4.71,665 4.905,666 4.92,667 5.017,668 4.977,669 4.934,670 5.37,671 0.655,672 433.9,673 3.497,674 5.043,675 5.911,676 6.817,677 7.716,678 8.637,679 9.548,680 10.477,681 11.393,682 12.325,683 5.9,691 1,692 1,693 1,699 6,700 1,704 3,705 1,706 11,723 2,724 51,726 15,727 1,728 32,730 53,731 21,733 9,734 3,735 3,736 6,739 3,740 3,741 1,745 2,749 1,753 15,754 6,755 1,756 4,761 1,764 1,765 6,769 1,770 1,772 21,773 7,774 1,775 9,776 1,778 1,779 3,784 1,785 4,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,837 1,838 1,840 30,845 1,846 2,848 2,850 1,861 2,862 7.8,864 1,865 1,866 1,867 1,869 16.667,870 10.169,871 6.833,872 2.963,874 2.53,875 1.349,876 0.93,877 7.083,878 9.777,879 3.75,880 4.341,881 4.899,882 5.457,883 5.894,884 6.252,885 6.526,886 6.898,887 7.179,888 7.413,889 1,890 51,891 11.207,893 4.857,894 8.081,895 20.398,897 16.161,899 2.581,900 77.444,903 1,904 235.422,905 126.277,906 35.47,907 39.149,908 89.828,909 14.96,911 126.277,912 364.399,913 50.43,914 28.533,915 6.698,916 37.476,917 140.479,918 61.93,919 26.731,920 200.109,921 39.149,922 235.422,923 161.747,924 104.788,925 39.149,927 179.756,928 149.455,929 11,931 60.699,932 81.505,933 58.691,935 250.382,936 125.298,937 165.425,940 235.422,941 42.601,942 85.575,944 177.508,945 235.422,946 140.258,947 165.425,949 0.575,950 0.352,951 0.207,952 0.114,953 20,954 11,955 0.132,956 7,958 1,959 3.712,960 283.11,962 17,963 147.207,968 22.223,969 9.561,970 4.513,972 138.359,973 9.117,974 4.006,978 -0.509,979 1.731,980 42.683,981 541.106,982 41.5,987 12.658,990 4.511,991 -0.245,994 52.287,995 57.768,996 0.318,997 0.732,998 0.92,999 0.937,1000 0.937,1001 0.937,1002 5.002,1003 1.747,1004 5.916,1005 5.024,1006 4.511,1007 5.027,1008 2.733,1009 6.797,1010 4.408,1011 6.229,1012 1.261,1013 7.519,1014 4.656,1015 4.205,1016 4.89,1017 1.06,1018 7.877,1019 4.07,1020 7.56,1021 1.146,1022 9.229,1023 2.949,1024 6.155,1025 7.212,1026 3.339,1027 11.058,1028 5.994,1029 8.93,1030 0.945,1031 11.003,1032 2.577,1033 6.686,1034 7.885,1035 1.679,1036 13.007,1037 6.509,1038 10.333,1039 0.618,1040 12.82,1041 1.672,1042 8.124,1043 9.674,1044 4.127,1045 15.737,1046 7.93,1047 11.758,1048 0.421,1049 14.666,1050 1.372,1051 9.029,1052 10.718,1053 2.248,1054 18.042,1055 8.827,1056 13.202,1057 0.123,1058 16.535,1059 0.778,1060 10.293,1061 12.293,1062 5.016,1063 20.633,1064 10.078,1065 3.407,1066 -0.032,1067 18.422,1068 0.304,1069 11.365,1070 13.517,1071 2.825,1072 23.083,1073 11.143,1074 2.867,1075 12.84,1076 20.322,1077 -0.061,1078 12.576,1079 14.999,1080 5.964,1081 25.635,1082 12.344,1083 2.732,1084 9.662,1085 22.234,1086 4.23,1087 13.722,1088 16.315,1089 3.415,1090 28.143,1091 13.482,1092 2.511,1093 9.308,1094 24.155,1095 3.86,1096 14.922,1097 17.757,1098 6.948,1099 30.688,1100 14.673,1101 2.098,1102 7.249,1103 26.085,1104 3.539,1105 16.102,1106 19.121,1107 4.015,1108 33.221,1109 15.845,1110 1.879,1111 5.989,1112 28.02,1113 3.429,1114 17.305,1115 20.548,1116 7.951,1117 35.767,1118 17.038,1119 1.793,1120 5.104,1121 29.962,1122 2.676,1123 18.503,1124 21.939,1125 4.622,1126 38.309,1127 18.227,1128 8806,1129 16673,1130 20.403,1131 34.245,1132 47.841,1133 49.464,1134 51.027,1135 47.182,1136 47.096,1137 60.467,1138 11.775,1139 138.968,1140 44.318,1141 5.637,1142 5.931,1143 7.004,1144 5.45,1145 5.407,1146 7.23,1147 3.349,1148 20.419,1149 5.354,1150 18.082,1151 1.495,1152 1.546,1153 1.595,1154 1.474,1155 1.472,1156 1.89,1157 0.368,1158 4.343,1159 1.385,1160 4.051,1161 4.08,1162 4.08,1163 3.966,1164 8.201,1165 3.972,1166 3.897,1167 3.948,1168 3.894,1169 3.739,1170 7.433,1171 3.756,1172 3.762,1173 3.789,1174 3.76,1175 3.623,1176 6.473,1177 3.644,1178 3.553,1179 3.59,1180 3.468,1181 3.335,1182 4.969,1183 3.355,1184 3.402,1185 3.439,1186 3.338,1187 3.191,1188 4.889,1189 3.191,1190 3.249,1191 3.318,1192 3.27,1193 3.02,1194 4.703,1195 3.028,1196 3.102,1197 3.17,1198 3.069,1199 2.928,1200 4.497,1201 2.926,1202 2.957,1203 3.016,1204 2.961,1205 2.797,1206 4.455,1207 2.786,1208 0.147,1209 0.123,1210 0.226,1211 0.137,1212 0.106,1213 4.706,1214 0.132,1215 3.931,1216 0.052,1217 7.235,1218 0.401,1219 4.392,1220 0.105,1221 3.407,1222 4.23,1223 1.674,1224 12.84,1225 3.354,1226 1.975,1227 1.96,1228 2.036,1229 2.071,1230 1.294,1231 2.062,1232 1.766,1233 1.739,1234 1.869,1235 1.897,1236 1.006,1237 1.893,1238 1.545,1239 1.493,1240 1.8,1241 1.767,1242 0.937,1243 1.763,1244 1.491,1245 1.433,1246 1.719,1247 1.747,1248 0.876,1249 1.748,1250 1.314,1251 1.261,1252 1.59,1253 1.577,1254 0.65,1255 1.574,1256 1.261,1257 1.202,1258 1.52,1259 1.525,1260 0.58,1261 1.517,1262 1.225,1263 1.156,1264 1.459,1265 1.46,1266 0.45,1267 1.476,1268 0.989,1269 0.93,1270 1.194,1271 1.22,1272 0.245,1273 1.218,1274 4.174,1276 5.501,1277 2.398,1278 7.033,1279 4.443,1280 8.675,1281 6.26,1282 10.384,1284 4.537,1285 6.346,1286 14.97,1289 10.756,1290 0.364,1292 10.277,1294 -1.075,1300 33.402,1301 92.061,1302 211.726,1303 266.274,1304 271.029,1305 271.029,1306 271.029,1307 89.791,1308 7.246,1309 85.94,1310 85.94,1311 17,1312 12.829,1313 4,1314 3.392,1315 54.277,1316 91,1317 100,1318 0.286,1319 209.582,1320 378.66,1321 503.14,1322 11010,1323 3.9,1324 21.836,1325 0.728,1326 0.583,1327 21.466,1328 17.481,1329 14.383,1330 0.449,1331 0.3,1332 9.051,1333 13.306,1334 8.751,1335 7.259,1336 14.261,1337 9.589,1338 12.706,1339 0.282,1340 0.154,1341 12.539,1342 6.912,1343 10.655,1344 0.172,1345 0.081,1346 10.608,1347 5.007,1348 9.353,1349 0.108,1350 0.043,1351 9.158,1352 3.701,1353 6.885,1354 0.063,1355 0.022,1356 6.989,1357 2.464,1358 0.42,1359 95.041,1360 0.221,1361 27.1,1362 0.889,1363 154,1364 594.606,1365 189.999,1366 563.804,1367 737.58,1368 524,1369 184,1370 499.609,1371 215.22,1372 506.83,1373 744.23,1374 473,1375 4.71} {0 CHEMBL1202755,1 1.46,2 13.938,3 3.744,4 14.018,5 126.272,6 7.143,7 0.343,8 4.168,9 4.293,10 3.702,11 3.739,12 5.248,13 3.703,14 4.712,15 4.894,16 4.064,17 4.136,18 5.75,19 4.076,20 4.999,21 5.214,22 4.159,23 4.295,24 6.037,25 4.214,26 5.091,27 5.335,28 4.081,29 4.264,30 6.149,31 4.161,32 5.005,33 5.243,34 3.98,35 4.188,36 6.025,37 4.084,38 4.93,39 5.161,40 3.962,41 4.109,42 6.093,43 4.01,44 4.889,45 5.13,46 3.8,47 4.038,48 5.92,49 3.935,50 4.777,51 5.016,52 3.755,53 3.979,54 5.791,55 3.868,56 0.029,57 0.866,58 12.504,59 5.506,60 8.434,61 7.47,62 0.234,63 1.416,64 23.345,65 9.29,66 23.978,67 13.029,68 0.208,69 1.784,70 32.52,71 12.179,72 41.287,73 17.204,74 0.479,75 1.834,76 37.597,77 13.15,78 70.636,79 18.568,80 0.334,81 1.657,82 34.372,83 12.404,84 62.061,85 17.216,86 0.498,87 1.574,88 31.724,89 11.152,90 89.313,91 15.721,92 0.453,93 1.523,94 30.999,95 9.741,96 65.792,97 13.758,98 0.213,99 1.355,100 26.893,101 9.807,102 39.466,103 13.882,104 27,105 49,106 0.235,107 0.599,108 0.79,109 0.87,110 0.875,111 0.875,112 3.502,113 0.95,114 -4.65,115 -4.57,116 -4.3,118 43.3,119 3,120 3,121 1,126 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 14,171 2,172 10,175 1,177 3,180 15,186 9,191 2,194 12,197 2,198 12,201 1,203 2,206 12,210 8,215 1,218 10,221 2,222 10,225 2,227 2,229 10,234 4,237 1,239 2,242 8,247 8,252 2,255 10,258 1,259 7,264 2,267 8,270 1880,271 21.43,272 21.43,273 21.43,274 21.43,275 21.43,276 19.3,277 28.424,278 12.616,279 21.665,280 17.261,281 17.261,282 17.261,283 17.261,284 17.261,285 13.795,286 32.358,287 6.011,288 17.62,289 4.447,290 2.185,291 1.002,292 0.504,293 0.471,294 0.471,295 4.197,299 1,300 1,301 965,302 4.123,306 351.545,310 258.227,313 2.258,314 30.86,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 68,326 446,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.15,336 4.203,337 3.561,338 6.161,339 3.847,340 2.853,341 3.635,342 1.058,343 9.06,344 2.833,345 3.931,346 3.003,347 5.955,348 3.661,349 2.671,350 3.444,351 0.78,352 8.318,353 2.642,354 3.897,355 2.909,356 5.768,357 3.517,358 2.526,359 3.247,360 0.219,361 7.603,362 2.503,363 3.619,364 2.723,365 5.342,366 3.344,367 2.372,368 2.853,370 6.971,371 2.299,372 3.495,373 2.565,374 5.282,375 3.16,376 2.18,377 2.706,379 6.343,380 2.13,381 3.305,382 2.382,383 5.03,384 3.065,385 2.085,386 2.341,388 6.027,389 2.032,390 2.939,391 1.936,392 4.168,393 2.519,394 1.552,395 2.098,397 3.488,398 1.499,399 2.809,400 1.621,401 4.053,402 2.319,403 1.316,404 1.75,406 3.409,407 1.312,408 2.726,409 1.538,410 3.82,411 2.254,412 1.269,413 1.724,415 3.146,416 1.248,417 2.5,418 1.311,419 3.655,420 2.198,421 1.207,422 1.5,424 2.936,425 1.193,426 2.475,427 1.251,428 3.534,429 1.965,430 1,431 1.436,433 2.136,434 0.963,435 2.393,436 1.087,437 3.247,438 1.951,439 0.961,440 1.167,442 2.102,443 0.948,444 2.121,445 1,446 3.238,447 1.79,448 0.769,449 1.071,451 1.93,452 0.778,453 1.688,454 0.637,455 2.982,456 1.109,457 0.116,458 0.158,460 0.306,461 0.114,462 15.267,463 0.477,464 0.839,465 0.026,466 40.25,467 1.258,468 20,469 0.625,470 20.25,471 0.633,472 29.597,473 0.925,474 33.933,475 0.566,476 31.163,477 0.974,478 7.52,479 0.235,480 7.899,481 0.247,482 0.142,484 0.354,487 0.667,488 1.311,489 0.814,490 1.09,491 0.56,492 0.986,493 0.586,494 1.115,495 0.826,496 1.001,497 0.522,498 0.949,499 0.922,500 1.168,501 0.932,502 1.072,503 0.795,504 1.008,505 1.135,506 0.917,507 0.981,508 0.943,509 1.21,510 0.942,511 1.304,512 0.993,513 0.997,514 0.978,515 1.451,516 0.96,517 1.035,518 1.08,519 1.003,520 1.048,521 1.109,522 1.03,523 1.702,524 0.871,525 1.251,526 0.886,527 1.592,528 0.983,529 1.041,530 1.071,531 1.017,532 1.075,533 0.985,534 1.044,535 6.5,536 0.12,537 3.778,538 2,539 2.093,540 1.271,541 0.667,542 0.545,543 0.386,544 0.284,545 15517,546 36580,547 2.063,548 46.7,549 11,550 8,551 1,552 2,553 1,555 5,558 1.741,559 1.92,560 3.74,561 -0.403,563 1,567 87.596,568 1.46,569 3.722,570 4.905,571 5.402,572 5.436,573 5.436,574 3.257,575 4.5,576 4.967,577 3.936,578 1952.19,579 8.669,580 29507.6,582 1,585 354.413,586 1.448,587 4.925,588 0.186,589 0.004,590 0.077,591 0.038,592 0.046,593 0.03,594 0.017,595 0.016,596 0.012,597 0.009,598 0.435,599 0.17,600 1,601 0.731,602 170.796,603 -0.009,604 -0.144,605 0.051,606 -0.033,607 -0.032,608 0.007,609 0.183,610 -0.012,611 0.093,612 0.011,613 0.091,614 0.033,615 -0.021,616 -0.13,617 0.025,618 -0.08,619 0.035,620 -0.028,621 0.038,622 0.066,623 0.026,624 0.023,625 -0.002,626 0.025,627 -0.1,628 -0.039,629 0.007,630 0.007,631 -0.112,632 0.018,633 0.196,634 -0.091,635 0.001,636 -0.079,637 0.184,638 -0.068,639 -0.287,640 0.163,641 -0.22,642 0.037,643 -0.227,644 -0.061,645 -0.054,646 -0.085,647 -0.035,648 -0.093,649 0.003,650 -0.063,651 1.858,652 6.122,653 0.625,654 39.391,655 0.994,656 1.123,657 3.425,658 11.73,659 0.668,660 3.584,661 3.912,662 4.174,663 4.419,664 4.7,665 4.812,666 4.949,667 5.112,668 5.252,669 5.252,670 8.083,671 0.631,672 428.58,673 3.584,674 5.13,675 5.979,676 6.855,677 7.725,678 8.61,679 9.49,680 10.382,681 11.27,682 12.166,683 6.7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 60,726 17,727 1,728 35,730 63,731 26,733 11,734 3,735 3,736 7,739 4,740 7,745 3,751 4,753 18,754 8,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 28,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 3,840 32,846 3,847 1,850 2,851 1,862 3.3,865 2,869 16.667,870 11.683,871 7,872 3.886,874 3.186,875 1.397,876 0.972,877 6.551,878 11.203,879 3.85,880 4.394,881 4.949,882 5.47,883 6.021,884 6.302,885 6.676,886 7.064,887 7.471,888 7.717,889 1,890 52,891 11.899,893 5.084,894 7.719,895 22.821,897 18.84,899 2.219,900 71,903 1,904 317.82,905 154.791,906 54.706,908 50.29,911 154.791,912 368.11,913 54.706,914 26.476,915 37.786,916 66.334,917 102.355,918 50.379,919 11.771,920 282.506,922 317.82,923 209.498,924 50.29,927 258.964,928 109.145,931 90.095,932 83.665,933 35.738,935 317.82,936 104.996,937 154.791,940 317.82,941 34.84,942 123.076,943 18.011,944 83.861,945 317.82,946 104.996,947 154.791,949 0.585,950 0.337,951 0.174,952 0.098,953 23,954 11,955 0.111,956 7,957 2,958 1.2,959 4.358,960 286.354,961 0.2,962 20,963 158,968 22.015,969 9.522,970 5.015,972 104.996,973 13.432,974 4.132,978 3.513,980 18.011,981 577.607,982 46,987 25.915,989 5.025,990 4.596,991 0.621,994 59.665,995 67.394,996 0.247,997 0.63,998 0.83,999 0.915,1000 0.92,1001 0.92,1002 5.1,1003 1.552,1004 5.969,1005 6.027,1006 4.595,1007 5.081,1008 2.023,1009 6.777,1010 4.557,1011 6.298,1012 1.316,1013 7.53,1014 3.488,1015 4.205,1016 4.796,1017 0.325,1018 7.67,1019 4.159,1020 7.596,1021 1.269,1022 9.191,1023 3.409,1024 6.188,1025 7.183,1026 2.145,1027 10.771,1028 6.108,1029 8.926,1030 1.207,1031 10.91,1032 3.146,1033 6.594,1034 7.69,1035 0.766,1036 12.481,1037 6.506,1038 10.288,1039 1,1040 12.666,1041 2.936,1042 8.062,1043 9.562,1044 2.343,1045 15.116,1046 7.94,1047 11.672,1048 0.961,1049 14.448,1050 2.136,1051 8.842,1052 10.461,1053 1.259,1054 17.187,1055 8.706,1056 13.075,1057 0.769,1058 16.248,1059 2.102,1060 10.102,1061 12.098,1062 2.593,1063 19.662,1064 9.936,1065 3.24,1066 0.116,1067 18.064,1068 1.93,1069 11.068,1070 13.214,1071 1.765,1072 21.905,1073 10.881,1074 2.853,1075 11.139,1076 19.891,1077 0.306,1078 12.248,1079 14.733,1080 2.884,1081 24.327,1082 12.031,1083 2.671,1084 9.06,1085 21.729,1086 4.147,1087 13.307,1088 15.972,1089 2.27,1090 26.653,1091 13.064,1092 2.526,1093 8.318,1094 23.575,1095 3.635,1096 14.46,1097 17.433,1098 3.21,1099 29.059,1100 14.187,1101 2.372,1102 7.603,1103 25.428,1104 3.444,1105 15.567,1106 18.744,1107 2.771,1108 31.425,1109 15.265,1110 2.18,1111 6.971,1112 27.288,1113 3.247,1114 16.715,1115 20.176,1116 3.563,1117 33.828,1118 16.383,1119 2.085,1120 6.343,1121 29.154,1122 2.853,1123 17.848,1124 21.53,1125 3.266,1126 36.214,1127 17.484,1128 14747,1129 22830,1130 23.175,1131 40.069,1132 53.887,1133 54.771,1134 54.053,1135 52.25,1136 52.234,1137 66.556,1138 6.628,1139 149.827,1140 51.285,1141 5.494,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.679,1149 5.15,1150 16.778,1151 1.54,1152 1.565,1153 1.544,1154 1.493,1155 1.492,1156 1.902,1157 0.189,1158 4.281,1159 1.465,1160 4.054,1161 4.084,1162 4.019,1163 3.96,1164 7.431,1165 3.968,1166 3.906,1167 3.95,1168 3.829,1169 3.809,1170 7.425,1171 3.808,1172 3.818,1173 3.855,1174 3.758,1175 3.717,1176 4.901,1177 3.723,1178 3.685,1179 3.748,1180 3.566,1181 3.54,1182 4.862,1183 3.535,1184 3.519,1185 3.575,1186 3.391,1187 3.394,1188 4.552,1189 3.384,1190 3.339,1191 3.412,1192 3.202,1193 3.161,1194 4.288,1195 3.158,1196 3.195,1197 3.237,1198 3.119,1199 3.007,1200 4.175,1201 3.022,1202 3.162,1203 3.197,1204 3.032,1205 2.989,1206 3.961,1207 3.003,1208 0.13,1209 0.109,1210 0.194,1211 0.12,1212 0.093,1213 4.557,1214 0.118,1215 3.807,1216 0.036,1217 6.792,1218 0.318,1219 4.211,1220 0.09,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.15,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.344,1231 2.091,1232 1.884,1233 1.843,1234 2.045,1235 2.012,1236 1.268,1237 2.025,1238 1.794,1239 1.761,1240 1.927,1241 1.93,1242 1.058,1243 1.933,1244 1.675,1245 1.615,1246 1.878,1247 1.847,1248 1.014,1249 1.863,1250 1.525,1251 1.471,1252 1.75,1253 1.685,1254 0.869,1255 1.709,1256 1.331,1257 1.257,1258 1.631,1259 1.548,1260 0.768,1261 1.578,1262 1.128,1263 1.089,1264 1.417,1265 1.367,1266 0.469,1267 1.348,1268 1.095,1269 1.063,1270 1.304,1271 1.308,1272 0.437,1273 1.308,1274 4.263,1276 5.587,1278 7.109,1280 8.725,1282 10.396,1284 6.179,1290 2.743,1291 3.037,1294 0.339,1295 1.467,1300 37.837,1301 87.596,1302 223.343,1303 294.274,1304 324.149,1305 326.149,1306 326.149,1307 65.885,1308 8.017,1309 76.36,1310 76.36,1311 24,1312 12.693,1313 4.17,1314 3.585,1315 52.193,1316 154,1317 168,1318 0.162,1319 233.566,1320 419.66,1321 561.661,1322 37426,1324 22.665,1325 0.708,1326 0.585,1327 22.665,1328 18.708,1329 15.419,1330 0.441,1331 0.317,1332 10.978,1333 14.995,1334 10.612,1335 8.898,1336 15.419,1337 11.08,1338 14.086,1339 0.287,1340 0.176,1341 14.086,1342 8.622,1343 11.689,1344 0.183,1345 0.09,1346 11.689,1347 5.764,1348 9.482,1349 0.116,1350 0.047,1351 9.482,1352 3.853,1353 7.796,1354 0.072,1355 0.024,1356 7.796,1357 2.637,1358 0.262,1359 95.521,1360 0.208,1361 30.457,1362 0.426,1363 168,1364 450.739,1365 180.727,1366 443.27,1367 610.02,1368 414,1369 197,1370 454.047,1371 210.311,1372 463.339,1373 677.41,1374 436,1375 6} {0 CHEMBL1202756,1 1.513,2 13.387,3 2.345,4 5.499,5 121.332,6 7.199,7 0.324,8 4.146,9 4.275,10 3.688,11 3.677,12 5.222,13 3.653,14 4.695,15 4.887,16 4.056,17 4.074,18 5.736,19 4.027,20 4.946,21 5.166,22 4.121,23 4.22,24 5.995,25 4.152,26 5.024,27 5.254,28 4.029,29 4.209,30 6.106,31 4.111,32 4.967,33 5.223,34 3.914,35 4.111,36 5.945,37 4.003,38 4.846,39 5.08,40 3.872,41 3.99,42 6.027,43 3.898,44 4.774,45 5.018,46 3.694,47 3.884,48 5.829,49 3.79,50 4.625,51 4.86,52 3.628,53 3.818,54 5.64,55 3.721,56 0.017,57 0.88,58 12.181,59 5.069,60 7.123,61 7.021,62 0.274,63 1.417,64 23.216,65 8.448,66 23.48,67 12.147,68 0.243,69 1.693,70 31.078,71 10.758,72 38.778,73 15.527,74 0.464,75 1.713,76 34.697,77 11.861,78 67.296,79 16.825,80 0.337,81 1.563,82 33.493,83 11.61,84 53.352,85 16.634,86 0.497,87 1.413,88 29.416,89 9.704,90 85.987,91 13.938,92 0.482,93 1.311,94 27.91,95 8.251,96 63.006,97 11.922,98 0.217,99 1.15,100 23.143,101 7.953,102 35.197,103 11.384,104 27,105 48,106 0.246,107 0.627,108 0.814,109 0.855,110 0.866,111 0.866,112 3.471,113 0.94,114 -4.37,115 -4.3,116 -4.06,118 41.4,119 3,120 2,121 1,124 2,133 2,134 1,135 1,140 3,141 2,142 1,143 1,149 1,154 3,157 1,168 10,171 3,172 11,175 1,177 2,180 10,186 8,191 2,194 8,197 2,198 11,201 1,203 1,206 9,210 8,213 1,218 8,221 2,222 8,225 2,227 1,229 7,233 1,234 3,237 1,239 2,242 5,247 5,252 2,255 6,258 2,259 7,264 2,267 5,270 1725,271 20.775,272 20.775,273 20.775,274 20.775,275 20.775,276 18.722,277 28.542,278 12.135,279 21.138,280 16.739,281 16.739,282 16.739,283 16.739,284 16.739,285 13.353,286 28.576,287 5.737,288 17.295,289 4.345,290 1.997,291 0.845,292 0.591,293 0.522,294 0.522,295 4.166,299 1,300 1,301 898,302 3.937,305 95.468,306 224.58,310 247.49,313 2.271,314 30.323,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66.5,326 415,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.814,342 1.058,343 9.033,344 2.82,345 4.187,346 3.003,347 6.034,348 3.736,349 2.817,350 3.632,351 0.78,352 8.586,353 2.631,354 3.922,355 2.971,356 5.939,357 3.641,358 2.644,359 3.242,360 0.219,361 8.244,362 2.588,363 3.608,364 2.908,365 5.763,366 3.294,367 2.32,368 2.847,370 7.575,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.984,382 1.957,383 4.263,384 2.754,385 1.781,386 1.991,388 4.082,389 1.731,390 2.812,391 1.868,392 4.167,393 2.447,394 1.485,395 1.849,397 3.782,398 1.424,399 2.731,400 1.594,401 4.145,402 2.256,403 1.27,404 1.731,406 3.428,407 1.251,408 2.563,409 1.538,410 3.823,411 2.226,412 1.244,413 1.586,415 2.962,416 1.219,417 2.506,418 1.311,419 3.595,420 2.16,421 1.182,422 1.477,424 2.829,425 1.149,426 2.457,427 1.251,428 3.532,429 2.066,430 1.106,431 1.414,433 2.385,434 1.057,435 2.392,436 1.228,437 3.406,438 1.792,439 0.774,440 1.164,442 1.935,443 0.782,444 1.828,445 0.937,446 3.049,447 1.58,448 0.606,449 0.703,451 1.333,452 0.586,453 1.677,454 0.629,455 2.902,456 1.103,457 0.108,458 0.148,460 0.282,461 0.106,462 14.667,463 0.473,464 0.822,465 0.027,466 38.5,467 1.242,468 18,469 0.581,470 20.5,471 0.661,472 28,473 0.903,474 33.333,475 0.575,476 29.673,477 0.957,478 7.326,479 0.236,480 7.61,481 0.245,482 0.148,484 0.361,487 0.708,488 1.467,489 0.802,490 1.157,491 0.554,492 1.014,493 0.657,494 1.099,495 0.808,496 0.957,497 0.515,498 0.904,499 1.012,500 1.083,501 0.931,502 0.995,503 0.817,504 0.947,505 1.171,506 0.996,507 1.091,508 1.055,509 1.301,510 1.064,511 1.051,512 0.916,513 0.909,514 0.944,515 1.17,516 0.917,517 1.072,518 1.056,519 1.01,520 1.042,521 1.167,522 1.027,523 1.63,524 0.87,525 1.221,526 0.878,527 1.691,528 0.973,529 1.154,530 1.035,531 1.044,532 1.046,533 1.148,534 1.03,535 6,536 0.11,537 4.222,538 2.132,539 1.987,540 1.149,541 0.601,542 0.43,543 0.339,544 0.284,545 14511,546 34740,547 2.065,548 46.6,549 7,550 9,551 2,552 1,553 1,554 3,555 4,558 1.731,559 1.918,560 3.676,561 -0.361,563 1,567 87.732,568 1.513,569 3.861,570 5.013,571 5.267,572 5.336,573 5.336,574 3.127,575 4.89,576 4.921,577 3.918,578 1822.08,579 8.569,580 27181.9,582 1,585 339.763,586 1.462,587 4.877,588 0.176,589 0.004,590 0.088,591 0.043,592 0.046,593 0.029,594 0.017,595 0.014,596 0.012,597 0.01,598 0.44,599 0.17,600 1,601 0.744,602 164.257,603 -0.015,604 -0.254,605 0.06,606 -0.084,607 -0.031,608 -0.017,609 0.172,610 0.032,611 0.12,612 0.048,613 0.094,614 0.07,615 -0.076,616 -0.029,617 0.028,618 -0.005,619 0.034,620 0.028,621 -0.024,622 -0.001,623 -0.102,624 -0.074,625 -0.06,626 -0.095,627 -0.022,628 0.017,629 0.088,630 0.045,631 -0.046,632 0.077,633 0.166,634 -0.079,635 -0.003,636 -0.073,637 0.192,638 -0.065,639 -0.218,640 0.132,641 -0.188,642 0.045,643 -0.215,644 -0.049,645 -0.113,646 -0.046,647 -0.062,648 -0.059,649 -0.066,650 -0.05,651 1.858,652 6.061,653 0.613,654 38.233,655 0.998,656 1.129,657 3.138,658 9.848,659 0.661,660 3.555,661 3.892,662 4.174,663 4.407,664 4.644,665 4.779,666 4.913,667 5.063,668 5.209,669 5.198,670 8.056,671 0.626,672 417.56,673 3.555,674 5.106,675 5.964,676 6.843,677 7.72,678 8.606,679 9.492,680 10.384,681 11.276,682 12.172,683 8.6,690 2,691 1,692 1,693 1,699 5,700 1,704 4,705 1,706 11,713 1,724 58,726 16,727 1,728 34,730 61,731 24,733 9,734 3,735 3,736 7,739 4,740 7,745 3,751 2,753 16,754 8,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 27,773 6,774 1,775 7,778 1,779 5,781 1,784 0.5,785 2,801 1,802 3,806 2,816 1,822 2,823 1,832 2,836 3,840 31,846 4,847 1,850 1,851 1,862 3.4,865 2,869 16.167,870 11.383,871 6.778,872 3.725,874 3.047,875 1.382,876 0.98,877 6.194,878 11.021,879 3.818,880 4.379,881 4.953,882 5.467,883 5.925,884 6.273,885 6.652,886 7.035,887 7.449,888 7.688,889 0.889,890 50,891 11.52,893 4.917,894 7.731,895 22.064,897 18.14,899 2.231,900 69.167,903 1,904 306.049,905 136.658,906 56.605,908 50.29,911 136.658,912 356.339,913 56.605,914 26.476,915 39.463,916 56.429,917 92.912,918 40.046,919 23.542,920 270.735,922 306.049,923 193.263,924 50.29,927 258.964,928 97.374,931 86.951,932 70.574,933 35.738,935 306.049,936 106.895,937 136.658,940 306.049,941 35.659,942 106.023,943 18.011,944 83.861,945 306.049,946 106.895,947 136.658,949 0.587,950 0.347,951 0.176,952 0.093,953 23,954 11,955 0.115,956 7,957 2,958 1.211,959 4.294,960 273.732,961 0.211,962 19,963 151.58,968 21.265,969 9.03,970 4.545,972 104.996,973 9.545,974 4.208,978 3.314,979 2.097,980 18.011,981 549.602,982 44.5,987 25.651,989 5.005,990 4.581,991 0.625,994 57.883,995 65.478,996 0.258,997 0.659,998 0.856,999 0.899,1000 0.911,1001 0.911,1002 5.074,1003 1.485,1004 5.958,1005 4.082,1006 4.575,1007 5.066,1008 2.023,1009 6.781,1010 4.515,1011 6.281,1012 1.27,1013 7.532,1014 3.782,1015 4.205,1016 4.856,1017 0.325,1018 7.711,1019 4.124,1020 7.59,1021 1.244,1022 9.207,1023 3.428,1024 6.184,1025 7.203,1026 2.145,1027 10.812,1028 6.061,1029 8.934,1030 1.182,1031 10.939,1032 2.962,1033 6.635,1034 7.824,1035 0.766,1036 12.551,1037 6.491,1038 10.312,1039 1.106,1040 12.708,1041 2.829,1042 8.085,1043 9.627,1044 2.343,1045 15.174,1046 7.905,1047 11.711,1048 0.774,1049 14.501,1050 2.385,1051 8.903,1052 10.63,1053 1.259,1054 17.253,1055 8.7,1056 13.128,1057 0.606,1058 16.311,1059 1.935,1060 10.151,1061 12.205,1062 2.593,1063 19.717,1064 9.915,1065 3.24,1066 0.108,1067 18.134,1068 1.333,1069 11.138,1070 13.396,1071 1.765,1072 21.957,1073 10.878,1074 2.839,1075 11.139,1076 19.967,1077 0.282,1078 12.31,1079 14.87,1080 2.884,1081 24.369,1082 12.021,1083 2.817,1084 9.033,1085 21.808,1086 4.147,1087 13.378,1088 16.157,1089 2.27,1090 26.689,1091 13.063,1092 2.644,1093 8.586,1094 23.655,1095 3.814,1096 14.525,1097 17.587,1098 3.21,1099 29.087,1100 14.182,1101 2.32,1102 8.244,1103 25.509,1104 3.632,1105 15.633,1106 18.925,1107 2.771,1108 31.448,1109 15.264,1110 2.086,1111 7.575,1112 27.368,1113 3.242,1114 16.776,1115 20.335,1116 3.563,1117 33.845,1118 16.379,1119 1.781,1120 6.342,1121 29.231,1122 2.847,1123 17.905,1124 21.701,1125 3.266,1126 36.228,1127 17.482,1128 13777,1129 21508,1130 22.482,1131 38.313,1132 52.555,1133 53.523,1134 52.987,1135 51.034,1136 51.005,1137 64.894,1138 6.628,1139 147.874,1140 49.549,1141 5.498,1142 5.807,1143 6.562,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 16.734,1151 1.546,1152 1.574,1153 1.558,1154 1.501,1155 1.5,1156 1.909,1157 0.195,1158 4.349,1159 1.457,1160 4.054,1161 4.087,1162 4.019,1163 3.959,1164 7.431,1165 3.967,1166 3.957,1167 4.019,1168 3.897,1169 3.767,1170 7.425,1171 3.79,1172 3.815,1173 3.851,1174 3.755,1175 3.712,1176 4.933,1177 3.72,1178 3.64,1179 3.71,1180 3.517,1181 3.472,1182 4.864,1183 3.47,1184 3.514,1185 3.571,1186 3.374,1187 3.389,1188 4.552,1189 3.377,1190 3.306,1191 3.369,1192 3.187,1193 3.096,1194 4.235,1195 3.115,1196 3.181,1197 3.207,1198 3.119,1199 2.994,1200 4.143,1201 3.016,1202 3.076,1203 3.171,1204 2.888,1205 2.89,1206 3.953,1207 2.868,1208 0.134,1209 0.112,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 3.807,1216 0.037,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.305,1231 2.09,1232 1.799,1233 1.763,1234 1.984,1235 1.967,1236 1.268,1237 1.975,1238 1.741,1239 1.678,1240 1.906,1241 1.905,1242 1.028,1243 1.91,1244 1.545,1245 1.487,1246 1.765,1247 1.763,1248 0.925,1249 1.765,1250 1.491,1251 1.421,1252 1.73,1253 1.669,1254 0.864,1255 1.695,1256 1.388,1257 1.322,1258 1.608,1259 1.598,1260 0.704,1261 1.605,1262 1.204,1263 1.152,1264 1.447,1265 1.445,1266 0.512,1267 1.446,1268 1.099,1269 1.069,1270 1.417,1271 1.318,1272 0.469,1273 1.308,1274 4.234,1276 5.565,1277 2.398,1278 7.088,1279 4.595,1280 8.706,1281 6.529,1282 10.38,1284 6.156,1290 3.265,1291 2.939,1294 0.319,1295 1.461,1300 36.331,1301 87.732,1302 223.949,1303 290.743,1304 305.498,1305 309.498,1306 309.498,1307 60.421,1308 7.975,1309 81.29,1310 81.29,1311 23,1312 12.698,1313 4.087,1314 3.524,1315 49.825,1316 149,1317 142,1318 0.16,1319 224.103,1320 398.7,1321 538.571,1322 35699,1324 21.957,1325 0.708,1326 0.585,1327 21.957,1328 18.13,1329 14.936,1330 0.439,1331 0.313,1332 10.529,1333 14.408,1334 10.193,1335 8.521,1336 14.936,1337 10.658,1338 13.617,1339 0.284,1340 0.169,1341 13.617,1342 8.125,1343 11.655,1344 0.182,1345 0.087,1346 11.655,1347 5.596,1348 9.243,1349 0.114,1350 0.045,1351 9.243,1352 3.667,1353 7.309,1354 0.071,1355 0.024,1356 7.309,1357 2.451,1358 0.26,1359 93.197,1360 0.211,1361 29.744,1362 0.418,1363 164,1364 456.384,1365 179.197,1366 444.495,1367 613.96,1368 416,1369 194,1370 461.287,1371 210.004,1372 466.849,1373 685.29,1374 440,1375 5.301} {0 CHEMBL1202757,1 1.598,2 14,3 2.747,4 7.545,5 125.115,6 7.865,7 0.353,8 4.094,9 4.208,10 3.75,11 3.709,12 5.203,13 3.661,14 4.619,15 4.782,16 4.085,17 4.1,18 5.699,19 4.023,20 4.858,21 5.046,22 4.198,23 4.228,24 5.961,25 4.142,26 4.939,27 5.159,28 4.104,29 4.18,30 6.053,31 4.069,32 4.814,33 5.03,34 4.005,35 4.075,36 5.874,37 3.968,38 4.757,39 4.978,40 3.925,41 3.975,42 5.966,43 3.873,44 4.701,45 4.93,46 3.763,47 3.881,48 5.785,49 3.777,50 4.514,51 4.716,52 3.701,53 3.82,54 5.594,55 3.707,56 0.011,57 0.802,58 10.771,59 5.108,60 7.318,61 6.398,62 0.227,63 1.331,64 23.843,65 9.231,66 21.805,67 11.39,68 0.153,69 1.612,70 29.465,71 11.323,72 34.25,73 14.424,74 0.461,75 1.667,76 35.725,77 12.338,78 66.665,79 15.451,80 0.254,81 1.442,82 30.067,83 11.151,84 46.94,85 14.044,86 0.437,87 1.386,88 27.611,89 9.904,90 77.758,91 12.824,92 0.448,93 1.326,94 28.343,95 8.655,96 61.954,97 10.651,98 0.15,99 1.085,100 21.084,101 8.22,102 33.044,103 10.325,104 18,105 47,106 0.262,107 0.634,108 0.818,109 0.871,110 0.876,111 0.876,112 3.471,113 1.005,114 -4.24,115 -4.18,116 -3.95,118 43.6,119 2,121 1,124 3,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 11,171 2,172 10,175 1,177 1,180 12,186 8,191 2,194 9,197 2,198 10,201 1,203 1,206 8,210 7,215 1,218 6,221 2,222 7,225 2,227 2,229 6,234 3,237 1,239 2,242 6,247 3,252 2,255 7,258 1,259 7,264 2,267 6,270 1746,271 20.982,272 20.982,273 20.982,274 20.982,275 20.982,276 18.852,277 26.285,278 12.496,279 21.432,280 16.778,281 16.778,282 16.778,283 16.778,284 16.778,285 13.302,286 28.063,287 5.961,288 17.45,289 4.183,290 1.908,291 0.784,292 0.464,293 0.427,294 0.427,295 4.169,299 1,300 1,301 942,302 3.873,306 336.958,310 247.429,313 2.258,314 29.879,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66,326 434,327 4.557,328 4.25,329 6.792,330 4.211,331 3.24,332 4.147,333 3.272,334 11.139,335 3.149,336 4.197,337 3.807,338 6.155,339 3.833,340 2.839,341 3.632,342 1.257,343 9.033,344 2.82,345 3.923,346 3.547,347 5.939,348 3.641,349 2.644,350 3.444,351 1.058,352 8.244,353 2.63,354 3.896,355 3.003,356 5.763,357 3.494,358 2.521,359 3.242,360 0.78,361 7.575,362 2.451,363 3.608,364 2.909,365 5.34,366 3.293,367 2.32,368 2.847,369 0.219,370 6.965,371 2.247,372 3.488,373 2.796,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.993,382 2.562,383 4.257,384 2.651,385 1.753,386 2.121,388 4.036,389 1.573,390 2.934,391 2.116,392 4.15,393 2.463,394 1.513,395 1.966,397 3.43,398 1.429,399 2.733,400 1.944,401 3.823,402 2.261,403 1.289,404 1.731,406 3.318,407 1.253,408 2.579,409 1.539,410 3.734,411 2.244,412 1.268,413 1.55,415 2.956,416 1.229,417 2.5,418 1.441,419 3.538,420 2.175,421 1.206,422 1.5,424 2.808,425 1.145,426 2.472,427 1.312,428 3.496,429 1.956,430 1,431 1.433,433 2.136,434 0.954,435 2.392,436 1.311,437 3.247,438 1.792,439 0.778,440 1.165,442 1.936,443 0.781,444 1.872,445 1.251,446 3.049,447 1.569,448 0.67,449 0.766,451 1.458,452 0.586,453 1.68,454 1,455 2.902,456 1.103,457 0.113,458 0.153,460 0.294,461 0.11,462 15.1,463 0.487,464 0.733,465 0.024,466 39.75,467 1.282,468 20,469 0.645,470 19.75,471 0.637,472 27.511,473 0.887,474 32.3,475 0.587,476 29.513,477 0.952,478 7.25,479 0.234,480 7.775,481 0.251,482 0.11,484 0.325,487 0.671,488 1.233,489 0.739,490 0.955,491 0.548,492 0.914,493 0.651,494 1.084,495 1.098,496 1.094,497 0.552,498 0.949,499 0.92,500 1.212,501 0.949,502 1.104,503 0.832,504 1.027,505 1.222,506 0.934,507 1.077,508 0.994,509 1.342,510 0.964,511 1.156,512 1.042,513 0.913,514 1.006,515 1.292,516 0.981,517 0.985,518 1.038,519 0.914,520 0.966,521 0.993,522 1.002,523 1.844,524 0.815,525 1.226,526 0.862,527 1.779,528 0.936,529 1.143,530 1.103,531 1.025,532 1.086,533 1.196,534 1.101,535 5.5,536 0.103,537 3.556,538 1.75,539 1.933,540 1.104,541 0.565,542 0.432,543 0.329,544 0.248,545 14692,546 38079,547 2.084,548 43.6,549 7,550 13,551 1,552 2,553 1,558 1.731,559 1.958,560 3.739,561 -0.361,563 1,567 87.897,568 1.598,569 3.873,570 4.997,571 5.318,572 5.354,573 5.354,574 3.26,575 4.632,576 4.92,577 3.943,578 1833.72,579 8.567,580 27397.2,582 1,585 317.975,586 1.383,587 4.888,588 0.162,589 0.004,590 0.076,591 0.035,592 0.045,593 0.028,594 0.016,595 0.014,596 0.011,597 0.009,598 0.4,599 0.17,600 1,601 0.701,602 164.485,603 -0.021,604 -0.127,605 0.064,606 0.004,607 -0.033,608 0.014,609 0.134,610 0.015,611 -0.056,612 -0.039,613 0.062,614 0.01,615 -0.018,616 -0.19,617 0.003,618 -0.119,619 0.03,620 -0.063,621 0.001,622 0.059,623 -0.028,624 0.005,625 -0.053,626 0.003,627 -0.044,628 -0.091,629 0.056,630 -0.029,631 -0.074,632 0.001,633 0.218,634 -0.052,635 0.023,636 -0.041,637 0.236,638 -0.052,639 -0.339,640 0.224,641 -0.19,642 0.075,643 -0.266,644 -0.02,645 -0.102,646 -0.13,647 -0.081,648 -0.112,649 -0.068,650 -0.129,651 1.869,652 6.054,653 0.645,654 39.02,655 1,656 1.118,657 3.013,658 9.077,659 0.694,660 3.555,661 3.871,662 4.143,663 4.382,664 4.673,665 4.779,666 4.913,667 5.063,668 5.204,669 5.193,670 8.135,671 0.654,672 432.59,673 3.555,674 5.094,675 5.943,676 6.815,677 7.686,678 8.567,679 9.45,680 10.339,681 11.229,682 12.125,683 7.3,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 55,726 17,727 1,728 34,730 58,731 24,733 11,734 3,735 3,736 7,739 4,740 7,745 2,753 18,754 6,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 24,773 6,774 1,775 7,776 1,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,833 1,834 1,836 2,840 31,846 3,847 1,849 1,850 1,851 1,862 3.6,865 2,869 15.833,870 10.517,871 6.833,872 3.344,874 3.21,875 1.403,876 0.985,877 6.575,878 11.185,879 3.829,880 4.369,881 4.934,882 5.453,883 6.012,884 6.289,885 6.663,886 7.042,887 7.452,888 7.691,889 1,890 50,891 11.508,893 4.909,894 7.742,895 21.986,897 18.028,899 2.242,900 69.5,903 1,904 270.735,905 174.487,906 54.706,908 50.29,910 32.22,911 142.268,912 321.025,913 54.706,914 17.65,915 34.088,916 66.334,917 102.355,918 50.379,919 11.771,920 267.642,922 270.735,923 196.974,924 50.29,925 32.22,927 270.735,928 50.29,931 77.571,932 83.665,933 35.738,934 32.22,935 270.735,936 104.996,937 174.487,940 270.735,941 63.361,942 114.251,943 18.011,944 83.861,945 270.735,946 104.996,947 174.487,949 0.58,950 0.337,951 0.174,952 0.099,953 22,954 10,955 0.121,956 7,957 2,958 1.2,959 4.337,960 271.764,961 0.2,962 20,963 151.58,964 1,968 21.39,969 9.528,970 4.911,972 104.996,973 13.341,974 4.1,978 3.474,980 18.011,981 550.219,982 45,987 25.628,989 4.988,990 4.578,991 0.599,994 54.974,995 61.484,996 0.276,997 0.67,998 0.864,999 0.92,1000 0.926,1001 0.926,1002 5.069,1003 1.513,1004 5.922,1005 4.036,1006 4.554,1007 5.056,1008 3.367,1009 6.725,1010 4.491,1011 6.262,1012 1.289,1013 7.478,1014 3.43,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.558,1021 1.268,1022 9.138,1023 3.318,1024 6.138,1025 7.164,1026 5.472,1027 10.729,1028 6.031,1029 8.889,1030 1.206,1031 10.859,1032 2.956,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.437,1038 10.253,1039 1,1040 12.619,1041 2.808,1042 8.012,1043 9.55,1044 7.81,1045 15.089,1046 7.87,1047 11.64,1048 0.778,1049 14.405,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.651,1056 13.046,1057 0.67,1058 16.211,1059 1.936,1060 10.059,1061 12.091,1062 10.178,1063 19.646,1064 9.879,1065 3.24,1066 0.113,1067 18.031,1068 1.458,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.836,1074 2.839,1075 11.139,1076 19.863,1077 0.294,1078 12.212,1079 14.729,1080 12.548,1081 24.317,1082 11.986,1083 2.644,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.027,1092 2.521,1093 8.244,1094 23.554,1095 3.632,1096 14.431,1097 17.43,1098 14.919,1099 29.052,1100 14.152,1101 2.32,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.235,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 17.29,1117 33.823,1118 16.354,1119 1.753,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.459,1128 13912,1129 22574,1130 22.77,1131 38.193,1132 51.942,1133 56.373,1134 51.993,1135 50.477,1136 50.48,1137 64.8,1138 13.172,1139 143.338,1140 48.78,1141 5.494,1142 6.25,1143 6.594,1144 5.308,1145 5.24,1146 7.147,1147 6.545,1148 18.678,1149 5.149,1150 14.78,1151 1.528,1152 1.658,1153 1.529,1154 1.485,1155 1.485,1156 1.906,1157 0.387,1158 4.216,1159 1.435,1160 4.051,1161 4.08,1162 4.024,1163 3.959,1164 7.431,1165 3.967,1166 3.878,1167 3.917,1168 3.943,1169 3.801,1170 7.425,1171 3.787,1172 3.813,1173 3.848,1174 3.755,1175 3.714,1176 4.899,1177 3.72,1178 3.601,1179 3.663,1180 3.657,1181 3.464,1182 4.862,1183 3.435,1184 3.482,1185 3.542,1186 3.444,1187 3.386,1188 4.552,1189 3.348,1190 3.246,1191 3.284,1192 3.243,1193 3.102,1194 4.226,1195 3.09,1196 3.179,1197 3.204,1198 3.119,1199 2.994,1200 4.121,1201 3.016,1202 3.065,1203 3.127,1204 2.946,1205 2.926,1206 3.947,1207 2.914,1208 0.134,1209 0.125,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 4.25,1216 0.096,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 3.272,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.1,1230 1.268,1231 2.09,1232 1.849,1233 1.815,1234 1.959,1235 1.964,1236 1.153,1237 1.973,1238 1.789,1239 1.757,1240 1.916,1241 1.921,1242 1.034,1243 1.925,1244 1.562,1245 1.506,1246 1.778,1247 1.768,1248 0.986,1249 1.781,1250 1.494,1251 1.437,1252 1.713,1253 1.649,1254 0.866,1255 1.684,1256 1.186,1257 1.146,1258 1.417,1259 1.374,1260 0.58,1261 1.396,1262 1.099,1263 1.07,1264 1.379,1265 1.314,1266 0.469,1267 1.308,1268 1.058,1269 1.003,1270 1.262,1271 1.248,1272 0.308,1273 1.296,1274 4.234,1276 5.549,1278 7.067,1280 8.684,1282 10.357,1284 4.176,1290 2.189,1291 2.919,1293 1.734,1294 0.317,1295 1.457,1300 35.97,1301 87.897,1302 213.04,1303 274.855,1304 292.465,1305 294.465,1306 294.465,1307 60.001,1308 7.975,1309 76.36,1310 101.66,1311 24,1312 12.651,1313 4.17,1314 3.585,1315 49.835,1316 150,1317 164,1318 0.159,1319 225.512,1320 403.57,1321 542.01,1322 36052,1324 21.794,1325 0.703,1326 0.592,1327 22.148,1328 18.355,1329 15.025,1330 0.442,1331 0.335,1332 10.234,1333 14.105,1334 9.807,1335 8.172,1336 15.525,1337 11.391,1338 13.452,1339 0.286,1340 0.187,1341 13.95,1342 8.769,1343 11.378,1344 0.184,1345 0.099,1346 11.934,1347 6.114,1348 9.094,1349 0.115,1350 0.052,1351 9.615,1352 4.125,1353 7.661,1354 0.072,1355 0.028,1356 8.183,1357 2.933,1358 0.258,1359 98.204,1360 0.21,1361 29.82,1362 0.413,1363 162,1364 459.6,1365 193.336,1366 469.792,1367 639.5,1368 440,1369 190,1370 454.137,1371 218.455,1372 472.103,1373 691.46,1374 443,1375 6.222} {0 CHEMBL1202758,1 1.529,2 14.844,3 2.824,4 7.976,5 123.346,6 7.423,7 0.343,8 4.149,9 4.266,10 3.714,11 3.694,12 5.26,13 3.675,14 4.684,15 4.855,16 4.059,17 4.072,18 5.769,19 4.033,20 4.946,21 5.151,22 4.149,23 4.206,24 6.035,25 4.148,26 4.98,27 5.201,28 4.042,29 4.154,30 6.094,31 4.079,32 4.903,33 5.131,34 3.936,35 4.088,36 5.943,37 4.001,38 4.835,39 5.054,40 3.894,41 4.007,42 6.036,43 3.922,44 4.784,45 5.016,46 3.726,47 3.916,48 5.87,49 3.825,50 4.654,51 4.886,52 3.646,53 3.843,54 5.659,55 3.74,56 0.017,57 0.84,58 11.576,59 5.231,60 8.059,61 6.812,62 0.261,63 1.346,64 22.154,65 8.648,66 26.89,67 11.639,68 0.308,69 1.635,70 30.765,71 11.243,72 45.575,73 15.32,74 0.515,75 1.624,76 33.196,77 11.351,78 71.19,79 15.415,80 0.388,81 1.492,82 30.758,83 10.926,84 56.359,85 14.948,86 0.505,87 1.416,88 28.481,89 9.89,90 86.79,91 13.628,92 0.517,93 1.339,94 27.743,95 8.686,96 72.523,97 12.015,98 0.244,99 1.195,100 23.553,101 8.448,102 38.236,103 11.742,104 18,105 48,106 0.248,107 0.627,108 0.818,109 0.878,110 0.878,111 0.878,112 3.502,113 0.926,114 -3.96,115 -3.91,116 -3.71,118 43.1,119 2,120 2,121 1,124 2,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 11,171 2,172 11,175 1,177 2,180 10,185 1,186 10,191 2,194 8,197 2,198 10,201 1,203 1,206 9,210 8,213 1,218 9,221 2,222 9,225 2,227 1,229 8,233 1,234 3,239 2,242 5,247 5,250 1,252 3,255 6,258 1,259 6,264 2,267 5,270 1970,271 21.69,272 21.69,273 21.69,274 21.69,275 21.69,276 19.56,277 28.596,278 12.996,279 22.061,280 17.278,281 17.278,282 17.278,283 17.278,284 17.278,285 13.802,286 31.701,287 6.211,288 17.849,289 4.329,290 1.99,291 0.812,292 0.44,293 0.44,294 0.44,295 4.2,299 1,300 1,301 1030,302 4,306 357.02,310 261.962,313 2.363,314 33.75,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 69,326 475,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.922,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.86,352 8.244,353 2.63,354 3.896,355 2.908,356 5.763,357 3.457,358 2.522,359 3.242,360 0.78,361 7.575,362 2.352,363 3.608,364 2.87,365 5.34,366 3.294,367 2.321,368 2.847,369 0.219,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.994,382 1.968,383 4.258,384 2.772,385 1.803,386 2.121,388 4.05,389 1.743,390 2.943,391 1.923,392 4.15,393 2.489,394 1.549,395 1.976,397 3.445,398 1.449,399 2.734,400 1.68,401 3.825,402 2.345,403 1.364,404 1.732,406 3.409,407 1.329,408 2.672,409 1.538,410 3.779,411 2.255,412 1.269,413 1.656,415 3.007,416 1.249,417 2.5,418 1.341,419 3.569,420 2.209,421 1.221,422 1.5,424 2.933,425 1.204,426 2.478,427 1.311,428 3.532,429 1.957,430 1,431 1.441,433 2.136,434 0.954,435 2.393,436 1.251,437 3.247,438 1.892,439 0.923,440 1.172,442 1.991,443 0.884,444 2.108,445 1,446 3.165,447 1.788,448 0.768,449 1.033,451 1.916,452 0.776,453 1.689,454 0.757,455 2.967,456 1.212,457 0.273,458 0.311,460 0.609,461 0.253,462 15.1,463 0.472,464 0.733,465 0.023,466 41.25,467 1.289,468 20.5,469 0.641,470 20.75,471 0.648,472 27.185,473 0.85,474 34.1,475 0.588,476 31.945,477 0.998,478 7.964,479 0.249,480 7.561,481 0.236,482 0.11,484 0.325,487 0.722,488 1.35,489 0.773,490 1.121,491 0.566,492 0.979,493 0.806,494 1.101,495 0.854,496 1.001,497 0.585,498 0.943,499 1.021,500 1.117,501 0.896,502 1.018,503 0.833,504 0.95,505 1.228,506 0.939,507 1.043,508 0.958,509 1.351,510 0.969,511 1.12,512 0.979,513 0.989,514 0.971,515 1.268,516 0.965,517 0.995,518 1.06,519 1.041,520 1.059,521 1.174,522 1.06,523 1.389,524 0.932,525 1.228,526 0.923,527 1.595,528 1.017,529 0.963,530 1.053,531 1.068,532 1.103,533 1.01,534 1.097,535 5.5,536 0.132,537 3.556,538 1.75,539 1.933,540 1.104,541 0.606,542 0.401,543 0.28,544 0.289,545 16477,546 42124,547 2.082,548 44.8,549 7,550 11,551 1,552 2,553 1,555 4,558 1.738,559 1.959,560 3.815,561 -0.372,563 1,567 88.7,568 1.529,569 3.868,570 5.046,571 5.418,572 5.418,573 5.418,574 3.296,575 4.414,576 4.965,577 4.026,578 1997.13,579 8.652,580 31086.5,582 1,585 339.763,586 1.366,587 4.936,588 0.157,589 0.005,590 0.074,591 0.034,592 0.044,593 0.028,594 0.016,595 0.013,596 0.01,597 0.01,598 0.391,599 0.33,600 1,601 0.688,602 172.499,603 -0.022,604 -0.185,605 0.055,606 -0.069,607 -0.031,608 -0.008,609 0.082,610 -0.003,611 0.055,612 0.002,613 0.061,614 0.018,615 -0.016,616 -0.103,617 0.068,618 -0.027,619 0.042,620 0.024,621 -0.048,622 0.051,623 -0.039,624 0.008,625 -0.068,626 -0.011,627 -0.061,628 -0.015,629 0.005,630 0.014,631 -0.09,632 0.019,633 0.116,634 -0.067,635 -0.048,636 -0.091,637 0.159,638 -0.097,639 -0.163,640 0.082,641 -0.21,642 0.009,643 -0.178,644 -0.082,645 -0.059,646 -0.057,647 -0.095,648 -0.125,649 -0.065,650 -0.115,651 1.886,652 6.06,653 0.625,654 42.508,655 1.002,656 1.124,657 2.729,658 7.45,659 0.668,660 3.584,661 3.892,662 4.159,663 4.394,664 4.682,665 4.787,666 4.92,667 5.063,668 5.204,669 5.193,670 8.6,671 0.638,672 430.55,673 3.584,674 5.118,675 5.964,676 6.832,677 7.7,678 8.579,679 9.46,680 10.347,681 11.236,682 12.13,683 6.9,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,722 1,724 58,726 17,727 1,728 35,730 61,731 25,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 2,753 18,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 7,774 1,775 7,779 4,781 1,784 0.5,785 3,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 32,846 4,847 1,848 1,850 1,851 1,862 5.2,865 2,867 1,869 16.333,870 11.017,871 7.083,872 3.678,874 3.186,875 1.397,876 0.974,877 6.818,878 11.203,879 3.85,880 4.382,881 4.942,882 5.457,883 6.014,884 6.291,885 6.664,886 7.039,887 7.449,888 7.685,889 0.9,890 51,891 11.877,893 5.048,894 7.771,895 22.599,897 18.374,899 2.271,900 72.667,903 1,904 294.278,905 152.188,906 54.706,908 61.29,911 152.188,912 355.567,913 54.706,914 17.65,915 41.95,916 66.334,917 102.355,918 63.437,919 11.771,920 258.964,922 294.278,923 206.894,924 61.29,927 247.193,928 108.374,931 85.433,932 85.723,933 35.738,935 294.278,936 115.996,937 152.188,940 294.278,941 41.061,942 114.251,943 18.011,944 94.861,945 294.278,946 115.996,947 152.188,949 0.577,950 0.335,951 0.173,952 0.098,953 22,954 10,955 0.131,956 8,957 2,958 1.2,959 4.457,960 280.333,961 0.2,962 20,963 158,968 21.978,969 9.926,970 5.168,972 115.996,973 12.826,974 4.002,978 3.03,980 18.011,981 562.461,982 46,987 25.634,989 4.956,990 4.573,991 0.55,994 58.109,995 65.189,996 0.261,997 0.66,998 0.861,999 0.925,1000 0.925,1001 0.925,1002 5.088,1003 1.549,1004 5.938,1005 4.05,1006 4.575,1007 5.069,1008 2.202,1009 6.735,1010 4.517,1011 6.276,1012 1.364,1013 7.489,1014 3.445,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.05,1020 7.568,1021 1.269,1022 9.145,1023 3.409,1024 6.151,1025 7.169,1026 2.265,1027 10.731,1028 6.04,1029 8.896,1030 1.221,1031 10.864,1032 3.007,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.413,1038 10.258,1039 1,1040 12.622,1041 2.933,1042 8.019,1043 9.552,1044 2.418,1045 15.089,1046 7.865,1047 11.644,1048 0.923,1049 14.407,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.628,1056 13.049,1057 0.768,1058 16.212,1059 1.991,1060 10.062,1061 12.092,1062 2.637,1063 19.646,1064 9.866,1065 3.24,1066 0.273,1067 18.032,1068 1.916,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.816,1074 2.839,1075 11.139,1076 19.863,1077 0.609,1078 12.214,1079 14.729,1080 2.909,1081 24.317,1082 11.972,1083 2.644,1084 9.033,1085 21.705,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.012,1092 2.522,1093 8.244,1094 23.554,1095 3.632,1096 14.432,1097 17.43,1098 3.223,1099 29.052,1100 14.14,1101 2.321,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.223,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.57,1117 33.823,1118 16.345,1119 1.803,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.451,1128 15596,1129 25119,1130 23.463,1131 38.762,1132 53.127,1133 54.579,1134 53.239,1135 51.813,1136 51.808,1137 66.13,1138 8.348,1139 146.004,1140 50.312,1141 5.503,1142 5.807,1143 6.617,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 15.168,1151 1.518,1152 1.559,1153 1.521,1154 1.48,1155 1.48,1156 1.889,1157 0.239,1158 4.172,1159 1.437,1160 4.052,1161 4.081,1162 4.018,1163 3.958,1164 7.431,1165 3.967,1166 3.869,1167 3.905,1168 3.805,1169 3.739,1170 7.425,1171 3.749,1172 3.815,1173 3.851,1174 3.755,1175 3.713,1176 4.965,1177 3.72,1178 3.672,1179 3.738,1180 3.539,1181 3.519,1182 4.865,1183 3.511,1184 3.526,1185 3.58,1186 3.398,1187 3.395,1188 4.552,1189 3.386,1190 3.344,1191 3.405,1192 3.221,1193 3.119,1194 4.428,1195 3.14,1196 3.183,1197 3.208,1198 3.119,1199 2.994,1200 4.22,1201 3.017,1202 3.101,1203 3.148,1204 2.974,1205 2.909,1206 4.105,1207 2.913,1208 0.13,1209 0.109,1210 0.194,1211 0.12,1212 0.093,1213 4.557,1214 0.118,1215 3.807,1216 0.036,1217 6.792,1218 0.318,1219 4.211,1220 0.09,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.275,1231 2.09,1232 1.814,1233 1.779,1234 1.971,1235 1.975,1236 1.267,1237 1.972,1238 1.791,1239 1.758,1240 1.915,1241 1.927,1242 1.026,1243 1.928,1244 1.666,1245 1.602,1246 1.883,1247 1.844,1248 0.92,1249 1.864,1250 1.528,1251 1.473,1252 1.752,1253 1.693,1254 0.874,1255 1.714,1256 1.275,1257 1.215,1258 1.537,1259 1.542,1260 0.749,1261 1.543,1262 1.1,1263 1.071,1264 1.417,1265 1.324,1266 0.469,1267 1.308,1268 1.054,1269 1.005,1270 1.261,1271 1.277,1272 0.311,1273 1.298,1274 4.263,1276 5.572,1278 7.084,1280 8.695,1282 10.365,1284 4.168,1290 2.671,1291 2.9,1292 5.597,1294 0.311,1295 1.448,1300 37.025,1301 88.7,1302 224.331,1303 292.643,1304 314.253,1305 314.253,1306 314.253,1307 63.912,1308 8.017,1309 85.59,1310 85.59,1311 24,1312 12.658,1313 4.17,1314 3.585,1315 52.375,1316 163,1317 180,1318 0.152,1319 227.97,1320 411.15,1321 548.007,1322 38966,1324 22.501,1325 0.703,1326 0.57,1327 22.501,1328 18.246,1329 15.525,1330 0.444,1331 0.309,1332 10.661,1333 14.964,1334 10.38,1335 8.661,1336 15.525,1337 10.798,1338 13.806,1339 0.288,1340 0.167,1341 13.806,1342 7.994,1343 11.628,1344 0.185,1345 0.084,1346 11.628,1347 5.32,1348 9.271,1349 0.116,1350 0.043,1351 9.271,1352 3.469,1353 7.786,1354 0.073,1355 0.023,1356 7.786,1357 2.411,1358 0.249,1359 97.112,1360 0.206,1361 30.789,1362 0.39,1363 166,1364 492.475,1365 181.937,1366 473.873,1367 648.62,1368 444,1369 194,1370 478.22,1371 210.522,1372 482.854,1373 707.22,1374 455,1375 7.301} {0 CHEMBL1202763,1 1.46,2 13.906,3 3.572,4 12.763,5 126.75,6 7.143,7 0.343,8 4.169,9 4.292,10 3.706,11 3.733,12 5.246,13 3.698,14 4.715,15 4.904,16 4.061,17 4.129,18 5.734,19 4.072,20 4.978,21 5.184,22 4.176,23 4.295,24 6.034,25 4.218,26 5.098,27 5.335,28 4.081,29 4.269,30 6.17,31 4.17,32 5,33 5.236,34 3.984,35 4.201,36 5.989,37 4.091,38 4.971,39 5.215,40 3.944,41 4.114,42 6.088,43 4.008,44 4.884,45 5.132,46 3.816,47 4.025,48 5.907,49 3.927,50 4.741,51 4.955,52 3.756,53 3.975,54 5.809,55 3.876,56 0.022,57 0.868,58 12.486,59 5.492,60 7.762,61 7.469,62 0.269,63 1.422,64 23.672,65 9.041,66 20.844,67 12.763,68 0.161,69 1.751,70 31.458,71 12.178,72 34.968,73 17.066,74 0.539,75 1.836,76 37.979,77 13.091,78 78.963,79 18.257,80 0.27,81 1.675,82 33.738,83 12.519,84 50.939,85 17.531,86 0.545,87 1.625,88 33.55,89 11.408,90 87.957,91 16.264,92 0.427,93 1.496,94 30.989,95 9.922,96 60.133,97 14.02,98 0.254,99 1.317,100 25.657,101 9.267,102 46.845,103 12.762,104 27,105 49,106 0.235,107 0.592,108 0.807,109 0.865,110 0.87,111 0.87,112 3.502,113 0.947,114 -4.65,115 -4.57,116 -4.3,118 43.3,119 2,120 3,121 1,123 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 14,171 3,172 12,180 14,186 11,194 11,197 3,198 13,206 10,210 9,218 8,221 4,222 11,229 8,233 1,234 5,242 7,247 8,255 9,258 1,259 9,267 7,270 1890,271 21.482,272 21.482,273 21.482,274 21.482,275 21.482,276 19.377,277 27.459,278 12.638,279 21.765,280 17.235,281 17.235,282 17.235,283 17.235,284 17.235,285 13.781,286 28.097,287 5.998,288 17.655,289 4.447,290 2.231,291 0.898,292 0.538,293 0.504,294 0.504,295 4.197,299 1,300 1,301 963,302 4.123,306 351.092,310 257.586,313 2.293,314 30.203,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 68,326 445,327 4.56,328 3.812,329 6.794,330 4.214,331 3.243,332 4.148,333 1.257,334 11.146,335 3.152,336 4.247,337 3.664,338 6.341,339 3.915,340 2.927,341 3.665,342 1.2,343 9.471,344 2.889,345 3.963,346 3.003,347 6.059,348 3.693,349 2.712,350 3.444,351 0.78,352 8.628,353 2.661,354 3.896,355 2.912,356 5.787,357 3.512,358 2.522,359 3.278,360 0.293,361 7.661,362 2.498,363 3.64,364 2.719,365 5.34,366 3.349,367 2.378,368 2.876,369 0.219,370 6.965,371 2.299,372 3.501,373 2.568,374 5.282,375 3.067,376 2.087,377 2.718,379 6.343,380 2.035,381 3.217,382 2.24,383 5.035,384 2.932,385 1.973,386 2.279,388 5.662,389 1.888,390 2.949,391 1.918,392 4.16,393 2.572,394 1.599,395 2.111,397 3.432,398 1.554,399 2.736,400 1.649,401 3.841,402 2.302,403 1.315,404 1.732,406 3.358,407 1.294,408 2.601,409 1.538,410 3.798,411 2.255,412 1.27,413 1.553,415 2.967,416 1.25,417 2.5,418 1.311,419 3.625,420 2.215,421 1.226,422 1.5,424 2.853,425 1.21,426 2.474,427 1.281,428 3.532,429 1.956,430 1,431 1.439,433 2.136,434 0.954,435 2.393,436 1.251,437 3.29,438 1.838,439 0.824,440 1.181,442 1.971,443 0.828,444 2.169,445 1,446 3.247,447 1.77,448 0.742,449 0.987,451 1.851,452 0.754,453 1.681,454 0.63,455 2.97,456 1.26,457 0.273,458 0.305,460 0.604,461 0.268,462 15.267,463 0.477,464 0.822,465 0.026,466 40.5,467 1.266,468 20,469 0.625,470 20.5,471 0.641,472 28.983,473 0.906,474 33.933,475 0.566,476 31.914,477 0.997,478 7.703,479 0.241,480 7.732,481 0.242,482 0.142,484 0.347,487 0.646,488 1.389,489 0.804,490 1.131,491 0.54,492 1.008,493 0.683,494 1.013,495 0.835,496 0.909,497 0.543,498 0.884,499 0.853,500 1.223,501 0.903,502 1.128,503 0.756,504 1.035,505 1.35,506 0.895,507 1.049,508 0.92,509 1.491,510 0.946,511 1.088,512 1.085,513 0.986,514 1.067,515 1.181,516 1.026,517 1.071,518 0.994,519 1.005,520 0.978,521 1.092,522 0.982,523 1.594,524 0.837,525 1.129,526 0.841,527 1.521,528 0.907,529 1.407,530 1.112,531 1.185,532 1.118,533 1.455,534 1.125,535 6,536 0.149,537 4,538 2.125,539 2.093,540 1.132,541 0.768,542 0.542,543 0.395,544 0.282,545 15465,546 36484,547 2.063,548 46.7,549 11,550 12,551 1,552 2,555 2,558 1.741,559 1.92,560 3.738,561 -0.805,563 1,567 87.596,568 1.46,569 3.675,570 5.009,571 5.369,572 5.402,573 5.402,574 3.257,575 4.563,576 4.966,577 3.933,578 1950.52,579 8.668,580 29411.3,582 1,585 354.413,586 1.448,587 4.925,588 0.171,589 0.006,590 0.082,591 0.04,592 0.046,593 0.027,594 0.02,595 0.015,596 0.012,597 0.009,598 0.427,599 0.17,600 1,601 0.731,602 170.672,603 0.013,604 -0.224,605 0.061,606 -0.075,607 -0.019,608 -0.016,609 0.141,610 0.102,611 0.095,612 0.087,613 0.064,614 0.086,615 0.019,616 -0.188,617 0.043,618 -0.123,619 0.077,620 -0.048,621 -0.035,622 0.088,623 -0.032,624 0.042,625 -0.078,626 0.01,627 -0.046,628 -0.121,629 -0.001,630 -0.074,631 -0.067,632 -0.038,633 0.166,634 -0.01,635 0.011,636 -0.023,637 0.162,638 -0.025,639 -0.216,640 0.172,641 -0.097,642 0.09,643 -0.152,644 0.028,645 -0.186,646 -0.102,647 -0.199,648 -0.138,649 -0.14,650 -0.164,651 1.818,652 6.146,653 0.625,654 40.012,655 0.994,656 1.123,657 3.425,658 11.73,659 0.668,660 3.584,661 3.912,662 4.19,663 4.419,664 4.7,665 4.812,666 4.97,667 5.118,668 5.263,669 5.268,670 8.06,671 0.631,672 428.58,673 3.584,674 5.13,675 5.984,676 6.86,677 7.734,678 8.618,679 9.503,680 10.394,681 11.286,682 12.183,683 6.7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 60,726 17,727 1,728 35,730 63,731 26,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 3,753 18,754 8,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 28,773 6,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,817 1,822 2,823 1,832 2,836 3,840 32,846 4,850 1,851 2,862 3.3,865 2,869 16.667,870 11.8,871 7.028,872 3.84,874 3.186,875 1.397,876 0.975,877 6.551,878 11.203,879 3.85,880 4.394,881 4.963,882 5.47,883 6.024,884 6.302,885 6.69,886 7.065,887 7.48,888 7.73,889 1,890 53,891 11.898,893 5.063,894 7.708,895 22.846,897 18.775,899 2.208,900 70.667,903 1,904 329.591,905 156.468,906 39.82,908 50.29,911 156.468,912 379.881,913 39.82,914 26.047,915 25.005,916 66.334,917 102.355,918 50.379,919 11.771,920 294.278,922 329.591,923 196.288,924 50.29,927 306.049,928 73.832,931 68.489,932 92.061,933 35.738,935 329.591,936 90.11,937 156.468,940 329.591,941 36.946,942 125.771,944 83.861,945 329.591,946 90.11,947 156.468,949 0.585,950 0.344,951 0.174,952 0.097,953 23,954 11,955 0.111,956 7,957 2,958 1.2,959 4.351,960 287.043,961 0.2,962 20,963 158,968 22.015,969 9.522,970 4.854,972 90.11,973 13.465,974 4.133,978 3.539,981 576.169,982 46,987 26.097,989 5.089,990 4.607,991 0.767,994 59.665,995 67.394,996 0.247,997 0.622,998 0.848,999 0.909,1000 0.915,1001 0.915,1002 5.1,1003 1.599,1004 5.974,1005 5.662,1006 4.595,1007 5.081,1008 2.104,1009 6.79,1010 4.551,1011 6.298,1012 1.315,1013 7.543,1014 3.432,1015 4.205,1016 4.796,1017 0.57,1018 7.708,1019 4.143,1020 7.598,1021 1.27,1022 9.214,1023 3.358,1024 6.196,1025 7.189,1026 2.258,1027 10.818,1028 6.105,1029 8.932,1030 1.226,1031 10.944,1032 2.967,1033 6.621,1034 7.708,1035 1.123,1036 12.549,1037 6.515,1038 10.299,1039 1,1040 12.711,1041 2.853,1042 8.088,1043 9.575,1044 2.509,1045 15.189,1046 7.952,1047 11.688,1048 0.824,1049 14.504,1050 2.136,1051 8.887,1052 10.484,1053 1.656,1054 17.268,1055 8.733,1056 13.096,1057 0.742,1058 16.315,1059 1.971,1060 10.148,1061 12.116,1062 2.807,1063 19.745,1064 9.965,1065 3.243,1066 0.273,1067 18.14,1068 1.851,1069 11.128,1070 13.237,1071 2.172,1072 21.987,1073 10.923,1074 2.927,1075 11.146,1076 19.976,1077 0.604,1078 12.308,1079 14.754,1080 3.135,1081 24.407,1082 12.075,1083 2.712,1084 9.471,1085 21.82,1086 4.148,1087 13.375,1088 15.995,1089 2.671,1090 26.728,1091 13.116,1092 2.522,1093 8.628,1094 23.672,1095 3.665,1096 14.53,1097 17.454,1098 3.486,1099 29.13,1100 14.242,1101 2.378,1102 7.661,1103 25.53,1104 3.444,1105 15.64,1106 18.766,1107 3.157,1108 31.49,1109 15.324,1110 2.087,1111 6.965,1112 27.394,1113 3.278,1114 16.788,1115 20.196,1116 3.853,1117 33.888,1118 16.444,1119 1.973,1120 6.343,1121 29.263,1122 2.876,1123 17.922,1124 21.55,1125 3.633,1126 36.269,1127 17.547,1128 14700,1129 22762,1130 23.175,1131 40.069,1132 53.793,1133 54.89,1134 54.199,1135 52.408,1136 52.323,1137 66.63,1138 7.497,1139 150.464,1140 51.211,1141 5.497,1142 5.812,1143 6.596,1144 5.287,1145 5.243,1146 7.148,1147 2.38,1148 18.686,1149 5.152,1150 16.715,1151 1.537,1152 1.568,1153 1.549,1154 1.497,1155 1.495,1156 1.904,1157 0.214,1158 4.299,1159 1.463,1160 4.054,1161 4.084,1162 4.019,1163 3.96,1164 7.43,1165 3.968,1166 3.904,1167 3.948,1168 3.828,1169 3.806,1170 7.425,1171 3.805,1172 3.822,1173 3.858,1174 3.763,1175 3.719,1176 4.901,1177 3.726,1178 3.665,1179 3.73,1180 3.552,1181 3.5,1182 4.862,1183 3.5,1184 3.516,1185 3.574,1186 3.379,1187 3.392,1188 4.551,1189 3.38,1190 3.377,1191 3.452,1192 3.233,1193 3.185,1194 4.243,1195 3.191,1196 3.184,1197 3.209,1198 3.119,1199 2.994,1200 4.155,1201 3.017,1202 3.087,1203 3.139,1204 2.966,1205 2.934,1206 3.973,1207 2.933,1208 0.13,1209 0.109,1210 0.194,1211 0.12,1212 0.093,1213 4.56,1214 0.119,1215 3.812,1216 0.036,1217 6.794,1218 0.318,1219 4.214,1220 0.09,1221 3.243,1222 4.148,1223 1.257,1224 11.146,1225 3.152,1226 1.99,1227 1.966,1228 2.081,1229 2.102,1230 1.331,1231 2.091,1232 1.881,1233 1.841,1234 2.039,1235 2.009,1236 1.268,1237 2.021,1238 1.795,1239 1.763,1240 1.924,1241 1.932,1242 1.051,1243 1.934,1244 1.643,1245 1.579,1246 1.857,1247 1.833,1248 0.999,1249 1.845,1250 1.525,1251 1.469,1252 1.751,1253 1.686,1254 0.873,1255 1.711,1256 1.354,1257 1.28,1258 1.638,1259 1.584,1260 0.749,1261 1.608,1262 1.101,1263 1.072,1264 1.417,1265 1.322,1266 0.567,1267 1.323,1268 1.062,1269 1.01,1270 1.407,1271 1.271,1272 0.469,1273 1.308,1274 4.263,1276 5.587,1278 7.114,1280 8.735,1282 10.411,1284 5.986,1290 3.474,1294 0.319,1295 3.191,1300 37.837,1301 87.596,1302 220.526,1303 300.539,1304 322.149,1305 324.149,1306 324.149,1307 64.922,1308 8.017,1309 67.57,1310 67.57,1311 24,1312 12.709,1313 4.17,1314 3.585,1315 52.189,1316 153,1317 170,1318 0.163,1319 233.566,1320 419.66,1321 561.661,1322 37331,1324 22.665,1325 0.708,1326 0.587,1327 22.665,1328 18.785,1329 15.436,1330 0.441,1331 0.316,1332 10.926,1333 14.977,1334 10.555,1335 8.848,1336 15.436,1337 11.043,1338 13.958,1339 0.285,1340 0.174,1341 13.958,1342 8.539,1343 11.964,1344 0.184,1345 0.09,1346 11.964,1347 5.824,1348 9.369,1349 0.114,1350 0.047,1351 9.369,1352 3.854,1353 7.81,1354 0.072,1355 0.025,1356 7.81,1357 2.676,1358 0.263,1359 95.873,1360 0.208,1361 30.447,1362 0.429,1363 168,1364 456.052,1365 180.755,1366 447.413,1367 615.18,1368 418,1369 198,1370 456.54,1371 212.31,1372 467.119,1373 683.25,1374 438,1375 6.222} {0 CHEMBL1203626,1 1.693,2 8.71,3 1.67,4 2.789,5 113.417,6 8.047,7 0.333,8 4.083,9 4.182,10 3.697,11 3.54,12 5.338,13 3.56,14 4.59,15 4.743,16 4.039,17 3.909,18 5.913,19 3.915,20 4.751,21 4.908,22 4.138,23 4.083,24 5.925,25 4.074,26 4.949,27 5.093,28 4.317,29 4.19,30 6.268,31 4.201,32 5.062,33 5.21,34 4.412,35 4.295,36 6.33,37 4.305,38 5.21,39 5.378,40 4.467,41 4.378,42 6.521,43 4.367,44 5.295,45 5.493,46 4.388,47 4.343,48 6.536,49 4.308,50 5.217,51 5.433,52 4.18,53 4.159,54 6.678,55 4.093,56 0.233,57 0.765,58 9.579,59 4.588,60 13.446,61 5.525,62 0.711,63 1.16,64 19.5,65 7.219,66 73.782,67 9.112,68 0.506,69 1.372,70 22.025,71 8.974,72 45.302,73 11.149,74 0.879,75 1.543,76 28.154,77 10.478,78 108.4,79 12.59,80 0.937,81 1.742,82 31.612,83 11.605,84 96.97,85 13.961,86 1.266,87 1.964,88 38.07,89 13.25,90 135.58,91 16.865,92 1.485,93 1.989,94 44.977,95 14.145,96 129.115,97 18.57,98 1.858,99 1.734,100 44.144,101 12.772,102 230.547,103 17.647,104 64,105 46,106 0.28,107 0.675,108 0.858,109 0.883,110 0.883,111 0.883,112 3.473,113 0.864,114 -3,115 -3,116 -2.9,118 39.6,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 9,175 1,177 1,180 10,185 1,186 11,191 1,194 8,197 3,198 15,201 1,203 4,206 6,209 3,210 18,215 2,218 5,221 2,222 14,225 2,227 1,229 4,233 7,234 9,237 2,239 1,242 3,246 9,247 7,250 2,255 1,258 3,259 3,262 1,267 1,270 1745,271 20.706,272 20.706,273 20.706,274 20.706,275 20.706,276 18.171,277 27.532,278 12.243,279 21.295,280 16.166,281 16.166,282 16.166,283 16.166,284 16.166,285 12.315,286 34.984,287 5.6,288 16.854,289 4.035,290 1.641,291 0.533,292 0.382,293 0.382,294 0.382,295 4.147,299 1,300 1,301 556,302 4.123,305 92.892,306 206.114,313 1.267,314 50.173,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 70,326 270,327 4.672,328 3.906,329 7.152,330 4.357,331 3.366,332 4.171,333 2.612,334 12.522,335 3.335,336 4.261,337 3.777,338 6.331,339 3.768,340 2.795,341 3.934,342 1.674,343 9.388,344 2.719,345 4.133,346 3.479,347 6.012,348 3.719,349 2.737,350 3.561,351 1.36,352 8.56,353 2.689,354 3.905,355 2.974,356 5.705,357 3.463,358 2.528,359 3.408,360 1.216,361 7.565,362 2.362,363 3.74,364 2.92,365 5.403,366 3.269,367 2.299,368 3.175,369 1.066,370 6.911,371 2.218,372 3.471,373 2.631,374 5.057,375 3.041,376 2.084,377 2.649,378 0.616,379 5.795,380 1.981,381 3.112,382 2.299,383 4.726,384 2.721,385 1.759,386 2.2,388 4.725,389 1.682,390 3.008,391 2.148,392 4.506,393 2.538,394 1.556,395 2.101,397 4.034,398 1.523,399 2.621,400 1.639,401 3.754,402 2.143,403 1.178,404 1.628,406 2.818,407 1.132,408 2.585,409 1.473,410 3.589,411 2.088,412 1.163,413 1.587,415 2.584,416 1.07,417 2.469,418 1.459,419 3.437,420 2,421 1,422 1.447,424 2.323,425 1,426 2.118,427 1.256,428 3.303,429 1.851,430 0.908,431 0.983,433 1.635,434 0.848,435 2.042,436 1.147,437 3.17,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.505,445 1,446 3,447 1.294,448 0.387,449 0.411,451 0.705,452 0.347,453 1.342,454 0.749,455 2.762,456 1.001,457 0.017,458 0.02,460 0.032,461 0.016,462 14.1,463 0.455,464 0.805,465 0.026,466 39.5,467 1.274,468 19,469 0.613,470 20.5,471 0.661,472 27.984,473 0.903,474 34.5,475 0.651,476 36.302,477 1.171,478 8.293,479 0.268,480 6.574,481 0.212,482 0.201,484 0.376,487 0.675,488 1.397,489 0.707,490 1.185,491 0.622,492 1.001,493 0.751,494 0.964,495 0.756,496 0.831,497 0.468,498 0.791,499 0.85,500 1.077,501 0.87,502 1.069,503 0.685,504 0.982,505 1.119,506 1.092,507 0.945,508 1.066,509 1.19,510 0.985,511 1.16,512 1.118,513 0.974,514 1.077,515 1.044,516 0.996,517 0.966,518 1.188,519 0.996,520 1.154,521 0.892,522 1.092,523 1.063,524 1.023,525 1.078,526 1.089,527 1.032,528 1.096,529 0.858,530 0.995,531 1.091,532 1.067,533 0.786,534 1.132,535 6,536 0.071,537 3.333,538 2.91,539 2.373,540 1.91,541 1.18,542 0.997,543 0.383,544 0.196,545 9840,546 34546,547 1.975,548 41.5,549 1,550 11,551 1,552 2,553 1,554 3,555 3,558 1.751,559 1.806,560 3.078,561 -0.265,562 1,563 1,567 89.724,568 1.693,569 4.087,570 5.195,571 5.346,572 5.346,573 5.346,574 2.492,575 4.567,576 4.922,577 3.271,578 1521.16,579 8.684,580 20903.2,582 1,584 1,585 303.58,586 1.541,587 4.858,588 0.182,589 0.005,590 0.072,591 0.057,592 0.04,593 0.029,594 0.018,595 0.017,596 0.009,597 0.008,598 0.438,599 0.33,600 1,601 1.386,602 155.702,603 0.047,604 -0.173,605 0.049,606 -0.079,607 -0.044,608 -0.036,609 0.116,610 0.147,611 0.122,612 0.202,613 0.184,614 0.176,615 -0.095,616 0.041,617 -0.022,618 -0.009,619 -0.04,620 0.01,621 -0.093,622 -0.039,623 -0.038,624 -0.032,625 -0.108,626 -0.026,627 -0.151,628 -0.061,629 -0.066,630 -0.051,631 -0.115,632 -0.04,633 0.007,634 -0.162,635 -0.064,636 -0.144,637 0.012,638 -0.122,639 -0.025,640 -0.06,641 -0.08,642 -0.122,643 -0.082,644 -0.125,645 0.224,646 -0.089,647 -0.044,648 -0.124,649 0.288,650 -0.152,651 2.521,652 5.888,653 0.548,654 27.009,655 1.025,656 1.132,657 1.773,658 3.144,659 0.653,660 3.526,661 3.85,662 4.143,663 4.454,664 4.691,665 4.86,666 4.997,667 5.075,668 5.075,669 5.004,670 5.733,671 0.644,672 426.47,673 3.526,674 5.069,675 5.927,676 6.823,677 7.713,678 8.623,679 9.526,680 10.442,681 11.352,682 12.272,683 7.5,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 53,726 17,727 1,728 33,730 55,731 21,733 9,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 15,754 6,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 22,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 31,845 1,846 2,848 2,850 1,862 11.3,864 1,865 1,866 1,867 1,868 2,869 17.167,870 10.5,871 7.056,872 3.05,874 2.562,875 1.35,876 0.917,877 7.129,878 9.887,879 3.818,880 4.404,881 4.932,882 5.483,883 5.941,884 6.307,885 6.738,886 7.063,887 7.343,888 7.564,889 0.833,890 51,891 11.515,893 4.935,894 8.134,895 20.947,897 16.483,899 2.634,900 81.667,904 247.193,905 125.888,906 41.14,908 140.575,911 125.888,912 387.768,913 41.14,914 34.204,915 6.698,916 46.952,917 140.479,918 52.065,919 11.771,920 211.88,921 50.747,922 247.193,923 167.028,924 140.575,927 211.88,928 114.141,929 61.747,931 60.699,932 81.117,933 25.212,935 247.193,936 181.715,937 125.888,940 247.193,941 32.736,942 100.721,944 174.146,945 247.193,946 181.715,947 125.888,949 0.574,950 0.345,951 0.196,952 0.11,953 20,954 11,955 0.145,956 8,958 1,959 3.836,960 291.322,962 17,963 151.58,968 22.566,969 9.794,970 4.801,972 174.146,973 10.785,974 4.004,978 0.279,979 1.733,980 42.683,981 554.796,982 44.5,985 -0.521,987 35.583,990 4.541,991 0.158,994 54.323,995 59.986,996 0.296,997 0.714,998 0.907,999 0.933,1000 0.933,1001 0.933,1002 5.061,1003 1.556,1004 5.927,1005 4.725,1006 4.533,1007 5.091,1008 3.28,1009 6.786,1010 4.465,1011 6.286,1012 1.178,1013 7.517,1014 4.034,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.139,1020 7.615,1021 1.163,1022 9.213,1023 2.818,1024 6.159,1025 7.273,1026 4.506,1027 10.977,1028 6.048,1029 8.98,1030 1,1031 10.971,1032 2.584,1033 6.661,1034 7.949,1035 4.553,1036 12.878,1037 6.557,1038 10.376,1039 0.908,1040 12.771,1041 2.323,1042 8.099,1043 9.726,1044 6.094,1045 15.583,1046 7.967,1047 11.794,1048 0.618,1049 14.6,1050 1.635,1051 8.972,1052 10.76,1053 6.568,1054 17.852,1055 8.847,1056 13.229,1057 0.387,1058 16.451,1059 1.372,1060 10.229,1061 12.324,1062 7.854,1063 20.42,1064 10.088,1065 3.366,1066 0.017,1067 18.32,1068 0.705,1069 11.274,1070 13.534,1071 8.551,1072 22.842,1073 11.137,1074 2.795,1075 12.522,1076 20.203,1077 0.032,1078 12.473,1079 15.004,1080 9.694,1081 25.372,1082 12.327,1083 2.737,1084 9.388,1085 22.099,1086 4.171,1087 13.598,1088 16.304,1089 10.51,1090 27.856,1091 13.452,1092 2.528,1093 8.56,1094 24.004,1095 3.934,1096 14.785,1097 17.735,1098 11.573,1099 30.378,1100 14.633,1101 2.299,1102 7.565,1103 25.918,1104 3.561,1105 15.948,1106 19.082,1107 12.452,1108 32.887,1109 15.795,1110 2.084,1111 6.911,1112 27.84,1113 3.408,1114 17.138,1115 20.496,1116 13.472,1117 35.41,1118 16.978,1119 1.759,1120 5.795,1121 29.767,1122 3.175,1123 18.321,1124 21.87,1125 14.386,1126 37.928,1127 18.158,1128 9945,1129 18772,1130 21.096,1131 34.602,1132 49.524,1133 51.241,1134 52.23,1135 48.702,1136 48.785,1137 64.408,1138 17.09,1139 141.942,1140 47,1141 5.56,1142 5.906,1143 6.921,1144 5.414,1145 5.366,1146 7.171,1147 4.612,1148 20.1,1149 5.335,1150 18.856,1151 1.501,1152 1.553,1153 1.583,1154 1.476,1155 1.478,1156 1.952,1157 0.518,1158 4.301,1159 1.424,1160 4.07,1161 4.099,1162 4.033,1163 3.97,1164 7.815,1165 3.978,1166 3.925,1167 3.976,1168 3.881,1169 3.75,1170 7.433,1171 3.771,1172 3.807,1173 3.84,1174 3.768,1175 3.624,1176 6.999,1177 3.651,1178 3.546,1179 3.582,1180 3.466,1181 3.325,1182 6.473,1183 3.346,1184 3.467,1185 3.492,1186 3.43,1187 3.211,1188 4.965,1189 3.212,1190 3.427,1191 3.467,1192 3.282,1193 3.071,1194 4.771,1195 3.15,1196 3.195,1197 3.266,1198 3.042,1199 2.964,1200 4.627,1201 2.98,1202 3.149,1203 3.208,1204 2.968,1205 2.933,1206 4.496,1207 2.939,1208 0.142,1209 0.118,1210 0.217,1211 0.132,1212 0.102,1213 4.672,1214 0.126,1215 3.906,1216 0.079,1217 7.152,1218 0.379,1219 4.357,1220 0.101,1221 3.366,1222 4.171,1223 2.612,1224 12.522,1225 3.335,1226 1.993,1227 1.973,1228 2.073,1229 2.116,1230 1.304,1231 2.095,1232 1.795,1233 1.766,1234 1.897,1235 1.986,1236 1.031,1237 1.947,1238 1.555,1239 1.504,1240 1.802,1241 1.794,1242 0.944,1243 1.784,1244 1.458,1245 1.389,1246 1.705,1247 1.712,1248 0.86,1249 1.712,1250 1.346,1251 1.306,1252 1.609,1253 1.63,1254 0.66,1255 1.618,1256 1.291,1257 1.224,1258 1.512,1259 1.628,1260 0.576,1261 1.551,1262 1.217,1263 1.177,1264 1.461,1265 1.525,1266 0.455,1267 1.515,1268 1.125,1269 1.058,1270 1.271,1271 1.392,1272 0.254,1273 1.416,1274 4.205,1276 5.525,1277 2.398,1278 7.045,1279 4.443,1280 8.669,1281 6.26,1282 10.358,1284 4.624,1289 10.623,1290 0.402,1292 10.337,1294 -0.88,1300 34.116,1301 89.724,1302 216.625,1303 275.315,1304 283.315,1305 283.315,1306 283.315,1307 89.407,1308 7.325,1309 131.76,1310 131.76,1311 17,1312 12.783,1313 4.17,1314 3.644,1315 57.247,1316 99,1317 115,1318 0.272,1319 211.91,1320 383.32,1321 508.821,1322 12321,1324 22.543,1325 0.727,1326 0.558,1327 22.543,1328 17.31,1329 14.867,1330 0.451,1331 0.288,1332 9.291,1333 13.944,1334 9.025,1335 7.52,1336 14.867,1337 9.499,1338 13.174,1339 0.286,1340 0.146,1341 13.174,1342 6.721,1343 10.82,1344 0.175,1345 0.077,1346 10.82,1347 4.803,1348 9.224,1349 0.109,1350 0.041,1351 9.224,1352 3.506,1353 7.09,1354 0.066,1355 0.022,1356 7.09,1357 2.37,1358 0.404,1359 95.797,1360 0.218,1361 28.071,1362 0.828,1363 158,1364 597.408,1365 180.826,1366 558.065,1367 736.25,1368 516,1369 187,1370 528.778,1371 208.837,1372 526.146,1373 762.89,1374 489,1375 5.658} {0 CHEMBL1203649,1 1.629,2 8.882,3 3.031,4 9.187,5 127.529,6 7.557,7 0.306,8 4.22,9 4.328,10 3.78,11 3.683,12 5.416,13 3.682,14 4.75,15 4.918,16 4.162,17 4.06,18 6.012,19 4.052,20 4.97,21 5.133,22 4.219,23 4.243,24 6.088,25 4.211,26 5.158,27 5.355,28 4.411,29 4.332,30 6.387,31 4.314,32 5.181,33 5.327,34 4.496,35 4.407,36 6.462,37 4.413,38 5.304,39 5.459,40 4.609,41 4.544,42 6.582,43 4.528,44 5.504,45 5.705,46 4.57,47 4.616,48 6.669,49 4.557,50 5.513,51 5.744,52 4.463,53 4.528,54 6.848,55 4.437,56 0.197,57 0.88,58 12.502,59 5.586,60 15.277,61 7.15,62 0.63,63 1.35,64 24.402,65 8.921,66 76.108,67 11.975,68 0.618,69 1.626,70 30.532,71 11.24,72 58.686,73 14.45,74 0.845,75 1.819,76 39.317,77 13.31,78 107.415,79 17.948,80 0.985,81 1.928,82 38.563,83 13.051,84 129.523,85 16.191,86 1.072,87 2.254,88 42.618,89 15.125,90 128.321,91 19.886,92 1.426,93 2.56,94 55.859,95 17.892,96 132.792,97 24.57,98 1.798,99 2.413,100 59.181,101 18.425,102 244.19,103 26.49,104 99,105 52,106 0.261,107 0.623,108 0.782,109 0.828,110 0.828,111 0.828,112 3.562,113 0.9,114 -3.65,115 -3.62,116 -3.45,118 38.7,119 5,121 1,124 2,129 1,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 12,175 1,177 1,180 13,185 1,186 11,191 1,194 8,197 3,198 19,201 1,203 3,206 9,209 2,210 18,213 1,215 2,218 8,221 2,222 16,225 2,227 2,229 12,233 7,234 10,237 2,239 1,242 9,246 9,247 10,250 2,252 3,255 5,258 4,259 9,267 4,270 2274,271 21.938,272 21.938,273 21.938,274 21.938,275 21.938,276 19.403,277 31.053,278 12.842,279 22.483,280 17.744,281 17.744,282 17.744,283 17.744,284 17.744,285 13.928,286 42.098,287 6.006,288 18.495,289 4.325,290 2.066,291 1.073,292 0.787,293 0.787,294 0.787,295 4.232,299 1,300 1,301 617,302 4.796,305 104.624,306 230.053,313 1.308,314 53.982,317 1,318 0.67,319 0.83,320 1,321 0.5,322 1,323 1,324 0.86,325 76,326 302,327 4.675,328 3.934,329 7.156,330 4.365,331 3.377,332 4.17,333 2.612,334 12.537,335 3.339,336 4.262,337 3.779,338 6.492,339 4.063,340 3.118,341 3.934,342 1.674,343 10.239,344 2.931,345 4.211,346 3.598,347 6.265,348 3.769,349 2.795,350 3.555,351 1.36,352 9.251,353 2.722,354 4.012,355 3.197,356 6.008,357 3.674,358 2.691,359 3.443,360 1.216,361 8.541,362 2.646,363 3.92,364 2.97,365 5.7,366 3.462,367 2.524,368 3.178,369 1.115,370 7.556,371 2.362,372 3.736,373 2.886,374 5.405,375 3.268,376 2.298,377 3.092,378 0.522,379 6.921,380 2.222,381 3.436,382 2.605,383 5.045,384 3.005,385 2.041,386 2.615,388 5.786,389 1.953,390 3.054,391 2.295,392 4.692,393 2.675,394 1.701,395 2.155,397 4.63,398 1.645,399 2.998,400 2.154,401 4.503,402 2.526,403 1.536,404 2.055,406 4.054,407 1.513,408 2.602,409 1.646,410 3.759,411 2.175,412 1.223,413 1.599,415 2.837,416 1.16,417 2.58,418 1.447,419 3.605,420 2.034,421 1.088,422 1.589,424 2.565,425 1.024,426 2.475,427 1.271,428 3.437,429 2,430 1,431 1.441,433 2.323,434 1,435 2.118,436 1.152,437 3.303,438 1.852,439 0.904,440 0.977,442 1.63,443 0.849,444 2.038,445 1,446 3.241,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.317,454 0.831,455 3,456 1.149,457 0.175,458 0.189,460 0.475,461 0.169,462 15.6,463 0.459,464 1.159,465 0.034,466 41,467 1.206,468 19,469 0.559,470 22,471 0.647,472 36.484,473 1.073,474 38.4,475 0.619,476 38.7,477 1.138,478 8.188,479 0.241,480 7.825,481 0.23,482 0.246,483 0.032,484 0.34,487 0.661,488 1.411,489 0.761,490 1.222,491 0.64,492 1.053,493 0.671,494 1.033,495 0.69,496 0.921,497 0.415,498 0.818,499 1.138,500 1.093,501 1.077,502 1.1,503 0.761,504 1.077,505 0.959,506 0.983,507 0.752,508 0.941,509 1.004,510 0.825,511 1.459,512 1.061,513 1.064,514 0.995,515 1.528,516 0.952,517 0.983,518 1.279,519 0.984,520 1.188,521 0.88,522 1.1,523 1.029,524 1.065,525 1.115,526 1.12,527 0.95,528 1.135,529 0.693,530 1.035,531 0.964,532 1.111,533 0.635,534 1.102,535 8.5,536 0.13,537 3.556,538 3.41,539 2.533,540 2.243,541 1.447,542 1.424,543 0.552,544 0.528,545 12417,546 39297,547 1.937,548 45.2,549 1,550 8,551 1,552 2,553 1,555 15,558 1.775,559 1.751,560 3.084,561 -0.304,563 1,567 101.005,568 1.629,569 3.888,570 4.881,571 5.167,572 5.167,573 5.167,574 2.491,575 4.374,576 5.056,577 3.326,578 1865.92,579 8.958,580 27545,585 369.16,586 1.714,587 4.971,588 0.236,589 0.005,590 0.068,591 0.063,592 0.039,593 0.032,594 0.019,595 0.02,596 0.009,597 0.014,598 0.505,599 0.33,600 0.88,601 1.447,602 175.954,603 0.065,604 -0.155,605 0.051,606 -0.072,607 -0.054,608 -0.032,609 0.185,610 0.089,611 0.215,612 0.138,613 0.234,614 0.182,615 -0.187,616 0.009,617 -0.165,618 -0.042,619 -0.107,620 -0.087,621 0.028,622 0.021,623 0.215,624 0.081,625 0.027,626 0.174,627 -0.225,628 0.014,629 -0.104,630 0.034,631 -0.225,632 -0.003,633 0.022,634 -0.181,635 -0.062,636 -0.139,637 0.032,638 -0.121,639 -0.031,640 -0.034,641 -0.148,642 -0.134,643 -0.087,644 -0.166,645 0.257,646 -0.092,647 0.031,648 -0.136,649 0.31,650 -0.108,651 2.512,652 6.333,653 0.5,654 32.332,655 1.016,656 1.133,657 2.418,658 5.847,659 0.643,660 3.611,661 3.97,662 4.19,663 4.522,664 4.745,665 4.949,666 5.1,667 5.226,668 5.231,669 5.226,670 6.057,671 0.624,672 468.56,673 3.611,674 5.176,675 6.019,676 6.929,677 7.803,678 8.722,679 9.613,680 10.538,681 11.438,682 12.366,683 6.5,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 62,726 17,727 1,728 36,730 64,731 24,733 9,734 2,735 4,736 6,739 3,740 3,745 5,749 1,753 15,754 9,755 2,756 6,759 1,761 3,764 1,765 6,769 1,772 28,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 5,840 34,845 1,846 2,848 2,850 1,852 1,862 9.7,864 1,865 1,866 1,867 1,868 2,869 19.417,870 12.75,871 7.431,872 3.675,874 2.603,875 1.348,876 0.903,877 7.826,878 10.08,879 3.882,880 4.474,881 4.953,882 5.516,883 5.951,884 6.314,885 6.739,886 7.074,887 7.361,888 7.616,889 0.833,890 54,891 12.682,893 5.454,894 8.056,895 23.256,897 18.48,899 2.556,900 86.917,904 317.82,905 141.481,906 41.14,908 140.575,911 141.481,912 458.395,913 41.14,914 49.796,915 6.698,916 46.952,917 140.479,918 52.065,919 11.771,920 282.506,921 50.747,922 317.82,923 182.621,924 140.575,927 141.253,928 255.395,929 61.747,931 87.175,932 70.234,933 25.212,935 317.82,936 181.715,937 141.481,940 317.82,941 32.736,942 116.314,944 174.146,945 317.82,946 181.715,947 141.481,949 0.587,950 0.322,951 0.184,952 0.101,953 23,954 13,955 0.141,956 9,958 1,959 3.996,960 332.477,962 17,963 166.219,968 25.505,969 10.433,970 6.074,972 174.146,973 10.887,974 4.042,978 0.279,979 1.758,980 42.683,981 641.016,982 47.5,985 -0.512,987 36.291,990 4.623,991 0.188,994 62.974,995 70.232,996 0.274,997 0.653,998 0.82,999 0.868,1000 0.868,1001 0.868,1002 5.152,1003 1.701,1004 6.061,1005 5.786,1006 4.654,1007 5.162,1008 3.28,1009 6.936,1010 4.582,1011 6.397,1012 1.536,1013 7.665,1014 4.63,1015 4.511,1016 5.121,1017 2.525,1018 8.102,1019 4.42,1020 7.738,1021 1.223,1022 9.375,1023 4.054,1024 6.344,1025 7.338,1026 4.51,1027 11.162,1028 6.21,1029 9.111,1030 1.088,1031 11.146,1032 2.837,1033 6.957,1034 8.04,1035 4.553,1036 13.106,1037 6.806,1038 10.511,1039 1,1040 12.955,1041 2.565,1042 8.344,1043 9.779,1044 6.096,1045 15.765,1046 8.16,1047 11.93,1048 0.904,1049 14.789,1050 2.323,1051 9.274,1052 10.818,1053 6.568,1054 18.031,1055 9.073,1056 13.364,1057 0.618,1058 16.643,1059 1.63,1060 10.51,1061 12.363,1062 7.854,1063 20.573,1064 10.286,1065 3.377,1066 0.175,1067 18.511,1068 1.372,1069 11.578,1070 13.57,1071 8.551,1072 22.979,1073 11.34,1074 3.118,1075 12.537,1076 20.392,1077 0.475,1078 12.768,1079 15.031,1080 9.694,1081 25.491,1082 12.512,1083 2.795,1084 10.239,1085 22.283,1086 4.17,1087 13.899,1088 16.327,1089 10.51,1090 27.959,1091 13.63,1092 2.691,1093 9.251,1094 24.182,1095 3.934,1096 15.078,1097 17.752,1098 11.573,1099 30.468,1100 14.797,1101 2.524,1102 8.541,1103 26.089,1104 3.555,1105 16.239,1106 19.096,1107 12.452,1108 32.965,1109 15.948,1110 2.298,1111 7.556,1112 28.003,1113 3.443,1114 17.421,1115 20.506,1116 13.472,1117 35.479,1118 17.119,1119 2.041,1120 6.921,1121 29.923,1122 3.178,1123 18.599,1124 21.877,1125 14.386,1126 37.99,1127 18.288,1128 12595,1129 22589,1130 22.482,1131 39.887,1132 55.287,1133 56.772,1134 56.555,1135 54.138,1136 54.18,1137 69.837,1138 17,1139 161.431,1140 52.221,1141 5.625,1142 5.934,1143 6.925,1144 5.428,1145 5.377,1146 7.17,1147 4.612,1148 20.131,1149 5.339,1150 22.769,1151 1.536,1152 1.577,1153 1.571,1154 1.504,1155 1.505,1156 1.94,1157 0.472,1158 4.484,1159 1.451,1160 4.071,1161 4.1,1162 4.034,1163 3.971,1164 7.815,1165 3.979,1166 3.926,1167 3.977,1168 3.881,1169 3.749,1170 7.433,1171 3.77,1172 3.819,1173 3.852,1174 3.778,1175 3.635,1176 6.999,1177 3.661,1178 3.703,1179 3.75,1180 3.592,1181 3.543,1182 6.473,1183 3.542,1184 3.535,1185 3.583,1186 3.43,1187 3.325,1188 4.967,1189 3.337,1190 3.464,1191 3.49,1192 3.406,1193 3.172,1194 4.768,1195 3.167,1196 3.317,1197 3.364,1198 3.185,1199 3.064,1200 4.624,1201 3.141,1202 3.151,1203 3.199,1204 3.019,1205 2.931,1206 4.542,1207 2.95,1208 0.13,1209 0.109,1210 0.199,1211 0.121,1212 0.094,1213 4.675,1214 0.116,1215 3.934,1216 0.073,1217 7.156,1218 0.348,1219 4.365,1220 0.093,1221 3.377,1222 4.17,1223 2.612,1224 12.537,1225 3.339,1226 1.993,1227 1.973,1228 2.074,1229 2.116,1230 1.301,1231 2.095,1232 1.797,1233 1.768,1234 1.948,1235 1.989,1236 1.118,1237 1.953,1238 1.689,1239 1.639,1240 1.892,1241 1.889,1242 1.026,1243 1.9,1244 1.536,1245 1.477,1246 1.799,1247 1.77,1248 0.937,1249 1.763,1250 1.489,1251 1.43,1252 1.714,1253 1.735,1254 0.882,1255 1.738,1256 1.308,1257 1.249,1258 1.523,1259 1.627,1260 0.653,1261 1.555,1262 1.269,1263 1.214,1264 1.462,1265 1.526,1266 0.469,1267 1.517,1268 1.172,1269 1.138,1270 1.417,1271 1.455,1272 0.469,1273 1.451,1274 4.29,1276 5.638,1277 2.398,1278 7.163,1279 4.443,1280 8.783,1281 6.26,1282 10.463,1284 8.618,1289 10.945,1290 0.399,1292 11.091,1294 -0.905,1296 -0.787,1300 38.696,1301 101.005,1302 241.07,1303 302.631,1304 320.366,1305 320.366,1306 320.366,1307 111.417,1308 7.477,1309 131.76,1310 131.76,1311 17,1312 12.875,1313 4.17,1314 3.644,1315 66.179,1316 114,1317 124,1318 0.27,1319 240.687,1320 435.22,1321 579.037,1322 14727,1324 25.043,1325 0.737,1326 0.583,1327 25.043,1328 19.81,1329 16.013,1330 0.445,1331 0.3,1332 10.601,1333 15.113,1334 10.17,1335 8.525,1336 16.013,1337 10.795,1338 15.53,1339 0.299,1340 0.168,1341 15.53,1342 8.731,1343 11.111,1344 0.171,1345 0.077,1346 11.111,1347 5.017,1348 10.054,1349 0.11,1350 0.041,1351 10.054,1352 3.728,1353 7.315,1354 0.064,1355 0.022,1356 7.315,1357 2.475,1358 0.402,1359 102.322,1360 0.211,1361 30.278,1362 0.82,1363 176,1364 615.408,1365 200.819,1366 578.854,1367 767.57,1368 534,1369 205,1370 561.505,1371 227.834,1372 558.426,1373 808.07,1374 519,1375 4.638} {0 CHEMBL1203652,1 1.636,2 10.971,3 2.66,4 7.076,5 125.284,6 7.924,7 0.333,8 4.18,9 4.272,10 3.778,11 3.654,12 5.42,13 3.666,14 4.69,15 4.833,16 4.102,17 4.006,18 5.993,19 4.005,20 4.854,21 5.006,22 4.237,23 4.181,24 6.032,25 4.171,26 5.052,27 5.2,28 4.367,29 4.258,30 6.336,31 4.261,32 5.147,33 5.299,34 4.434,35 4.333,36 6.407,37 4.336,38 5.252,39 5.421,40 4.462,41 4.402,42 6.522,43 4.381,44 5.336,45 5.531,46 4.426,47 4.388,48 6.544,49 4.356,50 5.281,51 5.477,52 4.35,53 4.307,54 6.726,55 4.259,56 0.232,57 0.808,58 10.892,59 5.454,60 15.774,61 6.411,62 0.754,63 1.221,64 22.071,65 8.533,66 81.047,67 10.428,68 0.532,69 1.483,70 24.878,71 10.174,72 50.181,73 12.577,74 0.931,75 1.637,76 32.472,77 12.148,78 112.451,79 14.502,80 1.142,81 1.796,82 36.306,83 12.911,84 115.889,85 15.435,86 1.301,87 1.992,88 41.023,89 14.457,90 143.784,91 18.116,92 1.57,93 2.06,94 47.894,95 15.277,96 142.035,97 19.558,98 1.889,99 1.907,100 45.945,101 14.553,102 238.67,103 19.023,104 64,105 49,106 0.264,107 0.634,108 0.82,109 0.868,110 0.868,111 0.868,112 3.561,113 0.876,114 -2.76,115 -2.78,116 -2.69,118 40.7,119 2,121 1,123 1,124 3,134 2,136 1,137 1,140 6,141 2,142 1,143 2,152 1,154 1,162 2,168 9,171 2,172 12,175 1,177 1,180 11,185 1,186 14,191 1,194 8,197 3,198 16,201 1,203 3,206 6,209 2,210 18,213 1,215 2,218 6,221 2,222 14,225 2,227 2,229 6,233 6,234 8,237 1,239 2,242 8,246 10,247 8,250 2,252 2,255 10,258 2,259 4,267 7,270 2288,271 22.828,272 22.828,273 22.828,274 22.828,275 22.828,276 20.163,277 28.435,278 13.675,279 23.431,280 17.649,281 17.649,282 17.649,283 17.649,284 17.649,285 13.602,286 33.734,287 6.276,288 18.338,289 4.246,290 1.958,291 0.81,292 0.513,293 0.513,294 0.513,295 4.24,299 1,300 1,301 770,302 4.359,306 361.931,313 1.564,314 55.073,317 1,318 0.5,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.8,325 76.5,326 373,327 4.668,328 3.905,329 7.151,330 4.355,331 3.363,332 4.165,333 2.612,334 12.516,335 3.333,336 4.259,337 3.777,338 6.324,339 3.762,340 2.788,341 3.931,342 1.674,343 9.343,344 2.716,345 4.111,346 3.495,347 6.01,348 3.703,349 2.714,350 3.495,351 1.414,352 8.547,353 2.675,354 3.897,355 2.985,356 5.681,357 3.503,358 2.521,359 3.444,360 1.36,361 7.374,362 2.475,363 3.759,364 2.905,365 5.341,366 3.314,367 2.341,368 3.183,369 1.216,370 6.964,371 2.275,372 3.501,373 2.785,374 5.152,375 3.091,376 2.128,377 2.685,378 0.957,379 6.01,380 2.036,381 3.143,382 2.472,383 4.747,384 2.762,385 1.808,386 2.223,387 0.488,388 4.757,389 1.711,390 3.003,391 2.157,392 4.516,393 2.554,394 1.583,395 2.123,397 4.086,398 1.536,399 2.932,400 1.926,401 3.771,402 2.456,403 1.526,404 2.075,406 3.235,407 1.41,408 2.602,409 1.641,410 3.713,411 2.169,412 1.213,413 1.593,415 2.838,416 1.154,417 2.5,418 1.475,419 3.556,420 2,421 1.041,422 1.5,424 2.392,425 1,426 2.483,427 1.46,428 3.436,429 1.984,430 1,431 1.468,433 2.322,434 0.983,435 2.252,436 1.4,437 3.247,438 1.946,439 1,440 1.201,442 2.136,443 0.931,444 2.023,445 1.152,446 3.208,447 1.819,448 0.895,449 0.961,451 1.585,452 0.818,453 1.496,454 1,455 3.136,456 1.283,457 0.38,458 0.4,460 0.686,461 0.339,462 15.533,463 0.457,464 0.805,465 0.024,466 42.75,467 1.257,468 21,469 0.618,470 21.75,471 0.64,472 31.773,473 0.935,474 37.867,475 0.642,476 40.033,477 1.177,478 9.069,479 0.267,480 7.297,481 0.215,482 0.182,484 0.348,487 0.685,488 1.278,489 0.722,490 1.169,491 0.634,492 1,493 0.871,494 0.998,495 0.81,496 0.876,497 0.522,498 0.836,499 0.855,500 1.114,501 0.87,502 1.088,503 0.681,504 0.991,505 1.149,506 1.088,507 0.965,508 1.103,509 1.183,510 1.014,511 1.205,512 1.066,513 1.019,514 1.05,515 1.062,516 0.994,517 1.016,518 1.17,519 1.025,520 1.145,521 0.915,522 1.097,523 1.123,524 0.979,525 1.058,526 1.01,527 1.027,528 1.018,529 0.889,530 0.928,531 1.044,532 1.016,533 0.798,534 1.064,535 6,536 0.145,537 3.556,538 2.875,539 2.489,540 1.806,541 1.061,542 1.026,543 0.55,544 0.286,545 13622,546 46366,547 1.977,548 42.4,549 1,550 15,552 2,553 1,555 6,558 1.771,559 1.821,560 3.341,561 -0.304,563 1,567 96.534,568 1.636,569 3.925,570 5.073,571 5.37,572 5.37,573 5.37,574 2.855,575 4.617,576 5.052,577 3.555,578 1994.31,579 8.93,580 29494.3,585 347.076,586 1.508,587 4.999,588 0.167,589 0.005,590 0.073,591 0.051,592 0.041,593 0.028,594 0.016,595 0.017,596 0.01,597 0.008,598 0.415,599 0.33,600 0.75,601 1.318,602 178.322,603 0.047,604 -0.082,605 0.046,606 -0.055,607 -0.045,608 -0.022,609 0.063,610 0.075,611 0.084,612 0.168,613 0.155,614 0.139,615 -0.072,617 -0.01,618 -0.041,619 -0.025,620 -0.007,621 -0.083,622 -0.067,623 -0.029,624 -0.081,625 -0.095,626 -0.052,627 -0.106,628 -0.042,629 -0.07,630 -0.045,631 -0.092,632 -0.045,634 -0.161,635 -0.071,636 -0.144,637 0.001,638 -0.128,639 -0.037,640 -0.016,641 -0.048,642 -0.047,643 -0.076,644 -0.053,645 0.216,646 0.019,647 -0.022,648 -0.055,649 0.306,650 -0.095,651 2.528,652 5.746,653 0.529,654 36.152,655 1.022,656 1.128,657 1.532,658 2.347,659 0.654,660 3.611,661 3.912,662 4.19,663 4.477,664 4.736,665 4.836,666 4.956,667 5.024,668 5.03,669 5.03,670 6.622,671 0.642,672 467.52,673 3.611,674 5.142,675 5.989,676 6.872,677 7.751,678 8.648,679 9.541,680 10.447,681 11.349,682 12.26,683 5.1,692 1,693 1,694 1,699 8,700 1,704 3,706 12,718 1,724 59,726 18,727 1,728 36,730 61,731 24,733 11,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 17,754 7,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 25,773 9,774 1,775 10,779 3,784 1,785 7,795 1,802 3,812 1,819 1,822 1,823 2,830 1,831 2,832 3,836 3,840 34,845 1,846 3,848 3,850 1,862 11.9,864 1,865 1,866 2,867 1,868 2,869 18.667,870 11.55,871 7.806,872 3.386,874 2.824,875 1.376,876 0.912,877 8.659,878 10.329,879 3.892,880 4.454,881 4.97,882 5.492,883 6.011,884 6.23,885 6.602,886 6.879,887 7.131,888 7.373,889 1,890 56,891 12.643,893 5.367,894 8.098,895 23.073,897 18.006,899 2.598,900 88.333,904 282.506,905 146.487,906 39.241,908 151.575,911 146.487,912 434.081,913 39.241,914 34.204,915 13.777,916 56.857,917 142.861,918 62.399,920 258.964,921 50.747,922 282.506,923 185.728,924 151.575,927 211.88,928 149.455,929 72.747,931 66.308,932 94.207,933 25.212,935 282.506,936 190.816,937 146.487,940 282.506,941 43.001,942 109.156,944 185.146,945 282.506,946 190.816,947 146.487,949 0.568,950 0.339,951 0.191,952 0.111,953 20,954 11,955 0.164,956 10,958 1,959 4.145,960 321.438,962 18,963 164.974,968 25.25,969 11.66,970 5.96,972 185.146,973 12.757,974 3.971,978 1.132,980 42.683,981 619.809,982 48,985 -0.528,987 35.542,990 4.508,991 -0.11,994 60.316,995 66.528,996 0.278,997 0.667,998 0.862,999 0.913,1000 0.913,1001 0.913,1002 5.124,1003 1.583,1004 5.974,1005 4.757,1006 4.595,1007 5.142,1008 3.396,1009 6.81,1010 4.534,1011 6.334,1012 1.526,1013 7.549,1014 4.086,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.164,1020 7.651,1021 1.213,1022 9.233,1023 3.235,1024 6.196,1025 7.302,1026 4.579,1027 10.974,1028 6.103,1029 9.006,1030 1.041,1031 10.983,1032 2.838,1033 6.648,1034 7.922,1035 4.553,1036 12.872,1037 6.576,1038 10.394,1039 1,1040 12.777,1041 2.392,1042 8.115,1043 9.742,1044 6.126,1045 15.574,1046 8.007,1047 11.804,1048 1,1049 14.602,1050 2.322,1051 8.958,1052 10.727,1053 6.568,1054 17.844,1055 8.863,1056 13.233,1057 0.895,1058 16.45,1059 2.136,1060 10.23,1061 12.329,1062 7.865,1063 20.411,1064 10.113,1065 3.363,1066 0.38,1067 18.317,1068 1.585,1069 11.259,1070 13.501,1071 8.551,1072 22.834,1073 11.147,1074 2.788,1075 12.516,1076 20.199,1077 0.686,1078 12.465,1079 15,1080 9.698,1081 25.364,1082 12.339,1083 2.714,1084 9.343,1085 22.094,1086 4.165,1087 13.583,1088 16.273,1089 10.51,1090 27.848,1091 13.456,1092 2.521,1093 8.547,1094 23.998,1095 3.931,1096 14.772,1097 17.722,1098 11.574,1099 30.371,1100 14.636,1101 2.341,1102 7.374,1103 25.912,1104 3.495,1105 15.932,1106 19.052,1107 12.452,1108 32.879,1109 15.793,1110 2.128,1111 6.964,1112 27.834,1113 3.444,1114 17.122,1115 20.477,1116 13.472,1117 35.402,1118 16.975,1119 1.808,1120 6.01,1121 29.761,1122 3.183,1123 18.305,1124 21.841,1125 14.386,1126 37.921,1127 18.152,1128 13637,1129 25318,1130 23.175,1131 38.574,1132 53.26,1133 55.471,1134 56.314,1135 52.595,1136 52.714,1137 69.019,1138 19.444,1139 149.791,1140 50.887,1141 5.618,1142 5.905,1143 6.953,1144 5.414,1145 5.363,1146 7.165,1147 4.612,1148 20.087,1149 5.333,1150 20.232,1151 1.479,1152 1.541,1153 1.564,1154 1.461,1155 1.464,1156 1.917,1157 0.54,1158 4.161,1159 1.414,1160 4.059,1161 4.08,1162 4.022,1163 3.965,1164 7.815,1165 3.972,1166 3.89,1167 3.924,1168 3.842,1169 3.775,1170 7.433,1171 3.78,1172 3.846,1173 3.874,1174 3.8,1175 3.706,1176 6.999,1177 3.722,1178 3.557,1179 3.591,1180 3.479,1181 3.345,1182 6.473,1183 3.366,1184 3.474,1185 3.5,1186 3.436,1187 3.226,1188 4.921,1189 3.231,1190 3.45,1191 3.485,1192 3.319,1193 3.095,1194 4.798,1195 3.16,1196 3.285,1197 3.343,1198 3.138,1199 2.998,1200 4.648,1201 3.023,1202 3.229,1203 3.281,1204 3.063,1205 2.982,1206 4.501,1207 3.016,1208 0.13,1209 0.108,1210 0.199,1211 0.121,1212 0.093,1213 4.668,1214 0.116,1215 3.905,1216 0.073,1217 7.151,1218 0.348,1219 4.355,1220 0.093,1221 3.363,1222 4.165,1223 2.612,1224 12.516,1225 3.333,1226 1.991,1227 1.972,1228 2.071,1229 2.114,1230 1.295,1231 2.092,1232 1.848,1233 1.814,1234 1.97,1235 1.992,1236 1.071,1237 1.982,1238 1.777,1239 1.752,1240 1.879,1241 1.952,1242 0.988,1243 1.922,1244 1.495,1245 1.448,1246 1.799,1247 1.748,1248 0.935,1249 1.759,1250 1.378,1251 1.335,1252 1.615,1253 1.644,1254 0.759,1255 1.625,1256 1.245,1257 1.202,1258 1.585,1259 1.64,1260 0.618,1261 1.555,1262 1.219,1263 1.154,1264 1.456,1265 1.526,1266 0.578,1267 1.544,1268 1.143,1269 1.103,1270 1.29,1271 1.43,1272 0.446,1273 1.423,1274 4.29,1276 5.595,1278 7.106,1280 8.721,1282 10.4,1284 4.56,1289 10.834,1290 0.405,1292 16.182,1294 -0.92,1300 37.863,1301 96.534,1302 231.566,1303 299.302,1304 316.811,1305 316.811,1306 316.811,1307 104.288,1308 7.505,1309 136.06,1310 136.06,1311 18,1312 12.777,1313 4.248,1314 3.7,1315 66.541,1316 127,1317 168,1318 0.246,1319 234.962,1320 430.37,1321 565.066,1322 16693,1324 24.665,1325 0.725,1326 0.56,1327 24.665,1328 19.056,1329 16.367,1330 0.455,1331 0.292,1332 10.289,1333 15.405,1334 9.988,1335 8.322,1336 16.367,1337 10.508,1338 14.222,1339 0.29,1340 0.15,1341 14.222,1342 7.334,1343 11.621,1344 0.179,1345 0.08,1346 11.621,1347 5.169,1348 9.751,1349 0.112,1350 0.042,1351 9.751,1352 3.685,1353 7.916,1354 0.07,1355 0.022,1356 7.916,1357 2.541,1358 0.375,1359 105.185,1360 0.208,1361 30.798,1362 0.719,1363 170,1364 645.498,1365 193.567,1366 599.612,1367 787.58,1368 556,1369 199,1370 554.598,1371 221.328,1372 553.509,1373 802.22,1374 514,1375 5.854} {0 CHEMBL1203653,1 1.656,2 10.121,3 2.84,4 8.063,5 120.18,6 8.098,7 0.343,8 4.135,9 4.224,10 3.751,11 3.608,12 5.398,13 3.626,14 4.634,15 4.771,16 4.084,17 3.953,18 5.97,19 3.963,20 4.806,21 4.952,22 4.216,23 4.123,24 6.011,25 4.128,26 4.971,27 5.097,28 4.345,29 4.216,30 6.303,31 4.229,32 5.105,33 5.252,34 4.424,35 4.315,36 6.375,37 4.321,38 5.231,39 5.399,40 4.468,41 4.379,42 6.525,43 4.37,44 5.283,45 5.464,46 4.449,47 4.371,48 6.535,49 4.352,50 5.263,51 5.446,52 4.339,53 4.282,54 6.739,55 4.243,56 0.246,57 0.769,58 9.903,59 5.114,60 14.641,61 5.86,62 0.732,63 1.158,64 20.102,65 7.984,66 78.099,67 9.567,68 0.611,69 1.398,70 23.374,71 9.395,72 52.454,73 11.207,74 0.947,75 1.533,76 28.099,77 11.147,78 109.369,79 12.612,80 1.077,81 1.744,82 33.565,83 12.689,84 111.59,85 14.928,86 1.394,87 1.961,88 39.681,89 13.713,90 147.639,91 16.855,92 1.505,93 1.986,94 43.52,95 14.806,96 128.789,97 18.324,98 1.967,99 1.857,100 44.306,101 14.172,102 238.264,103 17.883,104 64,105 48,106 0.27,107 0.646,108 0.826,109 0.865,110 0.865,111 0.865,112 3.533,113 0.863,114 -2.82,115 -2.83,116 -2.74,118 41.1,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 6,141 1,142 2,143 2,152 1,154 1,162 2,168 7,171 2,172 13,175 1,177 1,180 11,185 1,186 11,191 1,194 8,197 4,198 16,201 1,203 3,206 6,209 1,210 19,213 1,215 2,218 7,221 2,222 12,225 2,227 2,229 5,233 7,234 10,237 1,239 3,242 9,246 9,247 6,250 2,255 6,258 3,259 8,262 1,267 5,270 2076,271 22.121,272 22.121,273 22.121,274 22.121,275 22.121,276 19.455,277 27.361,278 13.189,279 22.726,280 17.149,281 17.149,282 17.149,283 17.149,284 17.149,285 13.102,286 32.487,287 6.049,288 17.86,289 4.152,290 1.849,291 0.746,292 0.505,293 0.505,294 0.505,295 4.21,299 1,300 1,301 689,302 4.243,306 343.369,313 1.466,314 54.716,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 74.5,326 334,327 4.668,328 3.905,329 7.151,330 4.355,331 3.364,332 4.166,333 2.612,334 12.516,335 3.333,336 4.259,337 3.777,338 6.325,339 3.763,340 2.789,341 3.931,342 1.674,343 9.345,344 2.716,345 4.112,346 3.496,347 6.01,348 3.705,349 2.718,350 3.5,351 1.36,352 8.548,353 2.676,354 3.898,355 3.013,356 5.683,357 3.462,358 2.52,359 3.439,360 1.34,361 7.393,362 2.366,363 3.755,364 2.911,365 5.35,366 3.304,367 2.329,368 3.182,369 1.216,370 6.955,371 2.267,372 3.496,373 2.76,374 5.137,375 3.08,376 2.116,377 2.681,378 0.819,379 5.981,380 2.027,381 3.138,382 2.426,383 4.742,384 2.749,385 1.79,386 2.224,387 0.32,388 4.739,389 1.703,390 3.003,391 2.156,392 4.515,393 2.551,394 1.574,395 2.124,397 4.082,398 1.534,399 2.908,400 1.727,401 3.764,402 2.393,403 1.48,404 2.041,406 3.151,407 1.344,408 2.602,409 1.619,410 3.683,411 2.152,412 1.184,413 1.593,415 2.826,416 1.14,417 2.5,418 1.461,419 3.506,420 2,421 1,422 1.5,424 2.323,425 1,426 2.483,427 1.442,428 3.436,429 1.984,430 1,431 1.464,433 2.136,434 0.983,435 2.069,436 1.161,437 3.247,438 1.882,439 0.94,440 1.016,442 1.903,443 0.876,444 1.833,445 1.142,446 3.179,447 1.555,448 0.653,449 0.723,451 1.33,452 0.582,453 1.488,454 1,455 2.957,456 1.203,457 0.311,458 0.341,460 0.499,461 0.273,462 15.033,463 0.456,464 0.805,465 0.024,466 42.75,467 1.295,468 21.5,469 0.652,470 21.25,471 0.644,472 29.783,473 0.903,474 36.567,475 0.653,476 39.711,477 1.203,478 9.008,479 0.273,480 6.859,481 0.208,482 0.188,484 0.359,487 0.691,488 1.269,489 0.704,490 1.156,491 0.638,492 0.982,493 0.827,494 1.032,495 0.767,496 0.904,497 0.505,498 0.834,499 0.948,500 1.044,501 0.864,502 1.003,503 0.711,504 0.914,505 1.161,506 1.076,507 1.008,508 1.116,509 1.237,510 1.047,511 1.111,512 1.134,513 0.962,514 1.093,515 1.024,516 1.009,517 1.036,518 1.094,519 1.014,520 1.061,521 0.918,522 1.03,523 1.056,524 0.996,525 1.025,526 1.066,527 0.978,528 1.048,529 0.978,530 0.981,531 1.116,532 1.052,533 0.863,534 1.116,535 6,536 0.14,537 3.556,538 2.75,539 2.569,540 1.75,541 1.144,542 1.097,543 0.501,544 0.231,545 12121,546 42697,547 1.976,548 41.1,549 1,550 13,552 2,553 1,555 6,558 1.765,559 1.817,560 3.246,561 -0.292,563 1,567 92.722,568 1.656,569 3.958,570 5.061,571 5.303,572 5.303,573 5.303,574 2.719,575 4.62,576 5.011,577 3.438,578 1815.1,579 8.855,580 26139.3,582 1,585 325.212,586 1.52,587 4.954,588 0.171,589 0.006,590 0.074,591 0.05,592 0.043,593 0.027,594 0.017,595 0.017,596 0.009,597 0.007,598 0.422,599 0.33,600 0.88,601 1.34,602 170.389,603 0.041,604 -0.084,605 0.045,606 -0.057,607 -0.052,608 -0.022,609 0.083,610 0.038,611 0.112,612 0.136,613 0.17,614 0.135,615 -0.112,616 0.057,617 0.001,618 0.027,619 -0.043,620 0.052,621 -0.093,622 -0.036,623 -0.105,624 -0.09,625 -0.126,626 -0.105,627 -0.091,628 -0.122,629 -0.035,630 -0.072,631 -0.08,632 -0.044,633 -0.026,634 -0.081,635 -0.058,636 -0.076,637 -0.015,638 -0.071,639 -0.008,640 -0.025,641 -0.035,642 -0.087,643 -0.054,644 -0.077,645 0.16,646 -0.047,647 -0.091,648 -0.088,649 0.257,650 -0.15,651 2.534,652 5.725,653 0.545,654 32.512,655 1.026,656 1.127,657 1.589,658 2.525,659 0.657,660 3.584,661 3.892,662 4.174,663 4.466,664 4.736,665 4.844,666 4.984,667 5.056,668 5.088,669 5.056,670 6.24,671 0.649,672 453.49,673 3.584,674 5.118,675 5.969,676 6.855,677 7.738,678 8.639,679 9.535,680 10.444,681 11.349,682 12.262,683 5.4,692 1,693 1,694 1,699 8,700 1,704 3,706 12,718 1,722 1,724 56,726 18,727 1,728 35,730 58,731 23,733 11,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 17,754 6,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 23,773 9,774 1,775 10,779 3,784 1,785 7,795 1,802 3,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 33,845 1,846 2,848 3,850 1,862 12.5,864 1,865 1,866 1,867 2,868 2,869 18.167,870 11.05,871 7.556,872 3.219,874 2.851,875 1.382,876 0.912,877 8.067,878 10.312,879 3.871,880 4.443,881 4.963,882 5.488,883 6.018,884 6.249,885 6.644,886 6.94,887 7.233,888 7.477,889 0.857,890 55,891 12.261,893 5.227,894 8.131,895 22.256,897 17.351,899 2.631,900 86.833,903 1,904 258.964,905 143.952,906 39.241,908 151.575,911 143.952,912 410.539,913 39.241,914 34.204,915 9.185,916 56.857,917 131.861,918 75.457,920 235.422,921 50.747,922 258.964,923 183.193,924 151.575,927 188.338,928 160.455,929 61.747,931 61.716,932 96.265,933 25.212,935 258.964,936 190.816,937 143.952,940 258.964,941 40.466,942 109.156,944 185.146,945 258.964,946 190.816,947 143.952,949 0.57,950 0.341,951 0.191,952 0.112,953 20,954 11,955 0.155,956 9,958 1,959 4.028,960 312.409,962 18,963 160.465,968 24.269,969 10.969,970 5.52,972 185.146,973 12.274,974 3.939,978 0.749,980 42.683,981 593.732,982 47,985 -0.534,987 35.486,990 4.489,991 -0.202,994 57.433,995 63.113,996 0.285,997 0.682,998 0.872,999 0.913,1000 0.913,1001 0.913,1002 5.106,1003 1.574,1004 5.958,1005 4.739,1006 4.575,1007 5.13,1008 3.356,1009 6.801,1010 4.508,1011 6.322,1012 1.48,1013 7.538,1014 4.082,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.146,1020 7.642,1021 1.184,1022 9.226,1023 3.151,1024 6.184,1025 7.298,1026 4.554,1027 10.973,1028 6.076,1029 9,1030 1,1031 10.979,1032 2.826,1033 6.648,1034 7.922,1035 4.553,1036 12.872,1037 6.553,1038 10.389,1039 1,1040 12.774,1041 2.323,1042 8.109,1043 9.741,1044 6.114,1045 15.575,1046 7.982,1047 11.801,1048 0.94,1049 14.6,1050 2.136,1051 8.958,1052 10.727,1053 6.568,1054 17.844,1055 8.842,1056 13.231,1057 0.653,1058 16.449,1059 1.903,1060 10.228,1061 12.329,1062 7.86,1063 20.411,1064 10.093,1065 3.364,1066 0.311,1067 18.317,1068 1.33,1069 11.26,1070 13.501,1071 8.551,1072 22.834,1073 11.131,1074 2.789,1075 12.516,1076 20.199,1077 0.499,1078 12.465,1079 15,1080 9.696,1081 25.364,1082 12.324,1083 2.718,1084 9.345,1085 22.094,1086 4.166,1087 13.584,1088 16.274,1089 10.51,1090 27.848,1091 13.444,1092 2.52,1093 8.548,1094 23.999,1095 3.931,1096 14.773,1097 17.722,1098 11.574,1099 30.371,1100 14.626,1101 2.329,1102 7.393,1103 25.912,1104 3.5,1105 15.934,1106 19.053,1107 12.452,1108 32.879,1109 15.785,1110 2.116,1111 6.955,1112 27.834,1113 3.439,1114 17.124,1115 20.478,1116 13.472,1117 35.402,1118 16.969,1119 1.79,1120 5.981,1121 29.762,1122 3.182,1123 18.306,1124 21.841,1125 14.386,1126 37.921,1127 18.148,1128 12182,1129 23015,1130 22.482,1131 36.813,1132 52.138,1133 54.341,1134 55.085,1135 51.388,1136 51.534,1137 67.852,1138 18.683,1139 147.452,1140 49.641,1141 5.609,1142 5.905,1143 6.953,1144 5.416,1145 5.364,1146 7.166,1147 4.612,1148 20.088,1149 5.333,1150 19.761,1151 1.49,1152 1.553,1153 1.574,1154 1.468,1155 1.472,1156 1.939,1157 0.534,1158 4.213,1159 1.418,1160 4.059,1161 4.08,1162 4.023,1163 3.964,1164 7.815,1165 3.972,1166 3.882,1167 3.91,1168 3.845,1169 3.741,1170 7.433,1171 3.755,1172 3.825,1173 3.855,1174 3.777,1175 3.691,1176 6.999,1177 3.706,1178 3.556,1179 3.59,1180 3.475,1181 3.342,1182 6.473,1183 3.363,1184 3.471,1185 3.495,1186 3.433,1187 3.215,1188 4.971,1189 3.216,1190 3.43,1191 3.466,1192 3.298,1193 3.083,1194 4.782,1195 3.156,1196 3.255,1197 3.324,1198 3.075,1199 2.997,1200 4.638,1201 3.018,1202 3.175,1203 3.221,1204 3.04,1205 2.934,1206 4.498,1207 2.956,1208 0.133,1209 0.112,1210 0.204,1211 0.124,1212 0.096,1213 4.668,1214 0.119,1215 3.905,1216 0.075,1217 7.151,1218 0.358,1219 4.355,1220 0.095,1221 3.364,1222 4.166,1223 2.612,1224 12.516,1225 3.333,1226 1.991,1227 1.972,1228 2.071,1229 2.114,1230 1.294,1231 2.092,1232 1.814,1233 1.785,1234 1.924,1235 1.987,1236 0.997,1237 1.959,1238 1.765,1239 1.737,1240 1.871,1241 1.93,1242 0.936,1243 1.907,1244 1.495,1245 1.447,1246 1.799,1247 1.748,1248 0.917,1249 1.759,1250 1.36,1251 1.316,1252 1.602,1253 1.641,1254 0.744,1255 1.608,1256 1.239,1257 1.193,1258 1.579,1259 1.62,1260 0.607,1261 1.552,1262 1.205,1263 1.147,1264 1.408,1265 1.496,1266 0.576,1267 1.522,1268 1.099,1269 1.051,1270 1.267,1271 1.374,1272 0.218,1273 1.366,1274 4.263,1276 5.572,1278 7.089,1280 8.71,1282 10.393,1284 4.538,1289 10.813,1290 0.083,1292 16.131,1294 -0.933,1300 36.336,1301 92.722,1302 221.644,1303 283.437,1304 296.947,1305 296.947,1306 296.947,1307 99.326,1308 7.461,1309 136.06,1310 136.06,1311 18,1312 12.777,1313 4.248,1314 3.7,1315 63.317,1316 116,1317 148,1318 0.257,1319 225.369,1320 413.07,1321 541.661,1322 15333,1324 23.957,1325 0.726,1326 0.556,1327 23.957,1328 18.349,1329 15.867,1330 0.453,1331 0.288,1332 9.856,1333 14.91,1334 9.581,1335 7.979,1336 15.867,1337 10.07,1338 13.869,1339 0.289,1340 0.145,1341 13.869,1342 6.958,1343 11.38,1344 0.178,1345 0.077,1346 11.38,1347 4.937,1348 9.532,1349 0.111,1350 0.041,1351 9.532,1352 3.527,1353 7.823,1354 0.069,1355 0.022,1356 7.823,1357 2.445,1358 0.387,1359 102.093,1360 0.211,1361 29.827,1362 0.765,1363 166,1364 641.498,1365 190.232,1366 595.37,1367 785.18,1368 552,1369 195,1370 560.416,1371 217.66,1372 555.942,1373 806.5,1374 518,1375 4.893} {0 CHEMBL1203654,1 1.649,2 9.394,3 2.483,4 6.167,5 123.023,6 7.704,7 0.314,8 4.176,9 4.282,10 3.753,11 3.637,12 5.383,13 3.643,14 4.699,15 4.863,16 4.09,17 4.004,18 5.969,19 3.993,20 4.892,21 5.077,22 4.177,23 4.165,24 5.991,25 4.142,26 5.02,27 5.17,28 4.354,29 4.273,30 6.313,31 4.267,32 5.158,33 5.317,34 4.429,35 4.377,36 6.377,37 4.368,38 5.289,39 5.462,40 4.511,41 4.463,42 6.551,43 4.436,44 5.396,45 5.603,46 4.475,47 4.491,48 6.537,49 4.44,50 5.414,51 5.629,52 4.396,53 4.393,54 6.815,55 4.324,56 0.208,57 0.841,58 11.541,59 5.253,60 15.424,61 6.612,62 0.668,63 1.283,64 22.782,65 8.354,66 74.121,67 11.041,68 0.562,69 1.511,70 28.368,71 10.217,72 56.637,73 13.504,74 0.81,75 1.661,76 31.552,77 11.71,78 99.73,79 14.566,80 0.826,81 1.878,82 36.975,83 13.202,84 110.739,85 16.587,86 1.323,87 2.126,88 43.156,89 14.601,90 143.943,91 19.212,92 1.195,93 2.263,94 50.098,95 16.305,96 118.24,97 22.214,98 2.083,99 2.128,100 54.037,101 15.754,102 260.52,103 22.098,104 67,105 48,106 0.267,107 0.643,108 0.825,109 0.852,110 0.869,111 0.885,112 3.533,113 0.907,114 -3.44,115 -3.42,116 -3.27,118 39,119 3,120 1,121 1,124 3,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 12,175 1,177 1,180 11,186 10,191 1,194 9,197 4,198 19,201 1,203 4,206 10,210 15,215 2,218 8,221 4,222 17,225 3,227 2,229 8,233 4,234 9,237 1,239 1,242 6,246 11,247 12,250 3,252 1,255 4,258 1,259 5,267 2,270 2117,271 22.121,272 22.121,273 22.121,274 22.121,275 22.121,276 19.585,277 28.823,278 13.294,279 22.756,280 17.187,281 17.187,282 17.187,283 17.187,284 17.187,285 13.33,286 32.688,287 6.095,288 17.963,289 4.233,290 1.91,291 0.784,292 0.615,293 0.513,294 0.411,295 4.209,299 1,300 1,301 638,302 4.359,305 103.279,306 224.185,313 1.497,314 51.999,317 1,318 0.5,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.8,325 74,326 310,327 4.669,328 3.905,329 7.152,330 4.356,331 3.364,332 4.166,333 2.612,334 12.518,335 3.335,336 4.259,337 3.777,338 6.326,339 3.764,340 2.789,341 3.931,342 1.674,343 9.359,344 2.719,345 4.115,346 3.496,347 6.01,348 3.71,349 2.723,350 3.507,351 1.36,352 8.551,353 2.681,354 3.921,355 2.95,356 5.684,357 3.461,358 2.539,359 3.468,360 1.216,361 7.398,362 2.346,363 3.755,364 2.878,365 5.361,366 3.303,367 2.331,368 3.182,369 1.045,370 6.985,371 2.255,372 3.501,373 2.634,374 5.143,375 3.09,376 2.129,377 2.685,378 0.391,379 6.01,380 2.034,381 3.154,382 2.414,383 4.767,384 2.779,385 1.821,386 2.235,388 4.87,389 1.731,390 3.001,391 2.156,392 4.524,393 2.558,394 1.58,395 2.103,397 4.136,398 1.542,399 2.661,400 1.811,401 3.764,402 2.245,403 1.306,404 1.708,406 2.876,407 1.224,408 2.602,409 1.653,410 3.667,411 2.152,412 1.193,413 1.593,415 2.786,416 1.137,417 2.488,418 1.459,419 3.437,420 2,421 1.02,422 1.473,424 2.323,425 1,426 2.127,427 1.371,428 3.413,429 1.953,430 1,431 1.085,433 1.935,434 0.94,435 2.118,436 1.152,437 3.257,438 1.819,439 0.85,440 0.94,442 1.469,443 0.814,444 2.026,445 1,446 3,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.75,454 0.888,455 2.905,456 1.486,457 0.517,458 0.599,460 1.117,461 0.498,462 15.1,463 0.458,464 0.805,465 0.024,466 40.5,467 1.227,468 19,469 0.576,470 21.5,471 0.652,472 32.432,473 0.983,474 37.1,475 0.629,476 37.089,477 1.124,478 8.271,479 0.251,480 7.596,481 0.23,482 0.188,484 0.351,487 0.665,488 1.407,489 0.744,490 1.21,491 0.618,492 1.037,493 0.713,494 1.047,495 0.782,496 0.943,497 0.447,498 0.882,499 0.947,500 0.992,501 0.868,502 0.944,503 0.688,504 0.884,505 1.109,506 1.048,507 0.975,508 1.099,509 1.189,510 1.025,511 1.256,512 1.174,513 1.016,514 1.12,515 1.183,516 1.032,517 0.983,518 1.135,519 1.022,520 1.109,521 0.921,522 1.083,523 1.002,524 1.096,525 1.016,526 1.129,527 0.92,528 1.086,529 0.887,530 0.981,531 1.064,532 1.034,533 0.812,534 1.088,535 6,536 0.134,537 3.556,538 2.91,539 2.543,540 1.746,541 1.164,542 1.112,543 0.507,544 0.265,545 11954,546 39280,547 1.976,548 44.1,549 1,550 10,551 1,552 2,553 1,554 2,555 9,558 1.767,559 1.817,560 3.172,561 -0.292,563 1,567 97.313,568 1.649,569 3.972,570 5.098,571 5.268,572 5.37,573 5.471,574 2.681,575 4.537,576 5.01,577 3.392,578 1791.09,579 8.861,580 25901.4,582 1,585 347.076,586 1.52,587 4.954,588 0.171,589 0.006,590 0.074,591 0.055,592 0.042,593 0.026,594 0.017,595 0.017,596 0.009,597 0.008,598 0.425,599 0.33,600 1,601 1.432,602 170.046,603 0.06,604 -0.161,605 0.05,606 -0.074,607 -0.035,608 -0.033,609 0.146,610 0.071,611 0.114,612 0.107,613 0.199,614 0.107,615 -0.119,616 0.09,617 0.042,618 0.099,619 -0.038,620 0.118,621 -0.062,622 0.03,623 -0.055,624 -0.048,625 -0.081,626 -0.052,627 -0.199,628 -0.13,629 -0.081,630 -0.076,631 -0.14,632 -0.054,633 0.046,634 -0.091,635 -0.076,636 -0.095,637 0.005,638 -0.114,639 -0.044,640 -0.104,641 -0.045,642 -0.137,643 -0.062,644 -0.1,645 0.243,646 -0.05,647 -0.036,648 -0.085,649 0.278,650 -0.126,651 2.507,652 5.948,653 0.515,654 32.529,655 1.018,656 1.132,657 2.207,658 4.87,659 0.646,660 3.584,661 3.892,662 4.174,663 4.477,664 4.7,665 4.86,666 5.004,667 5.094,668 5.118,669 5.088,670 6.153,671 0.63,672 454.53,673 3.584,674 5.118,675 5.969,676 6.858,677 7.74,678 8.643,679 9.541,680 10.452,681 11.358,682 12.273,683 6.8,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 59,726 17,727 1,728 35,730 61,731 23,733 9,734 2,735 4,736 6,739 3,740 3,745 3,749 1,751 1,753 15,754 8,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 26,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 33,845 1,846 4,848 2,850 1,862 10.2,864 1,865 1,866 1,867 1,868 2,869 18.167,870 11.5,871 7.556,872 3.717,874 2.626,875 1.354,876 0.915,877 8.284,878 10.051,879 3.861,880 4.428,881 4.946,882 5.479,883 5.909,884 6.232,885 6.637,886 6.944,887 7.222,888 7.461,889 1,890 53,891 12.29,893 5.232,894 8.066,895 22.58,897 17.785,899 2.566,900 84.667,903 1,904 294.278,905 130.957,906 41.14,908 140.575,911 130.957,912 434.853,913 41.14,914 32.146,915 13.825,916 46.952,917 140.479,918 52.065,919 11.771,920 258.964,921 50.747,922 294.278,923 172.097,924 140.575,927 188.338,928 184.768,929 61.747,931 76.651,932 70.234,933 25.212,935 294.278,936 181.715,937 130.957,940 294.278,941 39.863,942 98.663,944 174.146,945 294.278,946 181.715,947 130.957,949 0.568,950 0.337,951 0.194,952 0.106,953 20,954 11,955 0.164,956 10,958 1,959 4.024,960 313.107,962 17,963 164.465,968 24.524,969 11.147,970 5.631,972 174.146,973 11.092,974 4.032,978 0.314,979 1.861,980 42.683,981 606.95,982 46.5,985 -0.507,987 35.783,990 4.614,991 0.421,994 60.091,995 66.817,996 0.28,997 0.675,998 0.867,999 0.896,1000 0.913,1001 0.93,1002 5.098,1003 1.58,1004 5.958,1005 4.87,1006 4.575,1007 5.115,1008 3.259,1009 6.804,1010 4.506,1011 6.312,1012 1.306,1013 7.538,1014 4.136,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.139,1020 7.633,1021 1.193,1022 9.227,1023 2.876,1024 6.184,1025 7.281,1026 4.501,1027 10.977,1028 6.071,1029 8.993,1030 1.02,1031 10.98,1032 2.786,1033 6.661,1034 7.949,1035 4.553,1036 12.875,1037 6.558,1038 10.385,1039 1,1040 12.776,1041 2.323,1042 8.111,1043 9.726,1044 6.093,1045 15.578,1046 7.979,1047 11.799,1048 0.85,1049 14.602,1050 1.935,1051 8.971,1052 10.757,1053 6.568,1054 17.847,1055 8.848,1056 13.232,1057 0.618,1058 16.451,1059 1.469,1060 10.232,1061 12.319,1062 7.853,1063 20.414,1064 10.093,1065 3.364,1066 0.517,1067 18.319,1068 1.372,1069 11.27,1070 13.526,1071 8.551,1072 22.837,1073 11.136,1074 2.789,1075 12.518,1076 20.201,1077 1.117,1078 12.469,1079 14.995,1080 9.694,1081 25.367,1082 12.328,1083 2.723,1084 9.359,1085 22.096,1086 4.166,1087 13.591,1088 16.293,1089 10.51,1090 27.851,1091 13.451,1092 2.539,1093 8.551,1094 24.001,1095 3.931,1096 14.777,1097 17.722,1098 11.573,1099 30.374,1100 14.632,1101 2.331,1102 7.398,1103 25.914,1104 3.507,1105 15.939,1106 19.067,1107 12.452,1108 32.882,1109 15.793,1110 2.129,1111 6.985,1112 27.836,1113 3.468,1114 17.128,1115 20.48,1116 13.472,1117 35.405,1118 16.977,1119 1.821,1120 6.01,1121 29.763,1122 3.182,1123 18.311,1124 21.852,1125 14.386,1126 37.924,1127 18.157,1128 12043,1129 21990,1130 22.482,1131 38.125,1132 52.438,1133 53.689,1134 54.532,1135 51.485,1136 51.56,1137 67.205,1138 16.597,1139 147.412,1140 49.668,1141 5.617,1142 5.905,1143 6.921,1144 5.408,1145 5.364,1146 7.166,1147 4.612,1148 20.092,1149 5.335,1150 19.78,1151 1.498,1152 1.534,1153 1.558,1154 1.471,1155 1.473,1156 1.92,1157 0.474,1158 4.212,1159 1.419,1160 4.066,1161 4.093,1162 4.027,1163 3.969,1164 7.815,1165 3.977,1166 3.927,1167 3.985,1168 3.873,1169 3.748,1170 7.433,1171 3.767,1172 3.839,1173 3.869,1174 3.804,1175 3.662,1176 6.999,1177 3.688,1178 3.578,1179 3.609,1180 3.494,1181 3.363,1182 6.473,1183 3.384,1184 3.5,1185 3.563,1186 3.434,1187 3.279,1188 4.957,1189 3.275,1190 3.47,1191 3.499,1192 3.335,1193 3.213,1194 4.78,1195 3.202,1196 3.358,1197 3.426,1198 3.184,1199 3.107,1200 4.627,1201 3.154,1202 3.215,1203 3.27,1204 3.055,1205 2.99,1206 4.484,1207 3.025,1208 0.133,1209 0.112,1210 0.204,1211 0.124,1212 0.096,1213 4.669,1214 0.119,1215 3.905,1216 0.075,1217 7.152,1218 0.358,1219 4.356,1220 0.095,1221 3.364,1222 4.166,1223 2.612,1224 12.518,1225 3.335,1226 1.994,1227 1.974,1228 2.076,1229 2.115,1230 1.313,1231 2.095,1232 1.801,1233 1.771,1234 1.923,1235 1.989,1236 1.133,1237 1.957,1238 1.617,1239 1.56,1240 1.816,1241 1.844,1242 0.96,1243 1.829,1244 1.503,1245 1.452,1246 1.804,1247 1.764,1248 0.94,1249 1.771,1250 1.463,1251 1.39,1252 1.768,1253 1.711,1254 0.919,1255 1.732,1256 1.324,1257 1.265,1258 1.547,1259 1.629,1260 0.673,1261 1.555,1262 1.28,1263 1.222,1264 1.485,1265 1.528,1266 0.554,1267 1.525,1268 1.201,1269 1.162,1270 1.347,1271 1.485,1272 0.352,1273 1.483,1274 4.263,1276 5.572,1277 2.398,1278 7.079,1279 4.443,1280 8.693,1281 6.26,1282 10.373,1284 5.09,1289 10.876,1290 1.251,1292 10.694,1294 -0.856,1300 37.169,1301 97.313,1302 234.366,1303 300.811,1304 310.811,1305 316.811,1306 322.811,1307 100.02,1308 7.425,1309 131.76,1310 131.76,1311 17,1312 12.787,1313 4.17,1314 3.644,1315 63.221,1316 113,1317 133,1318 0.261,1319 231.095,1320 417.92,1321 555.631,1322 14295,1324 23.957,1325 0.726,1326 0.567,1327 23.957,1328 18.725,1329 15.867,1330 0.453,1331 0.302,1332 10.387,1333 14.945,1334 10.116,1335 8.402,1336 15.867,1337 10.587,1338 13.896,1339 0.289,1340 0.151,1341 13.896,1342 7.266,1343 11.23,1344 0.175,1345 0.081,1346 11.23,1347 5.168,1348 9.731,1349 0.112,1350 0.043,1351 9.731,1352 3.774,1353 7.289,1354 0.067,1355 0.023,1356 7.289,1357 2.558,1358 0.392,1359 101.59,1360 0.211,1361 29.761,1362 0.784,1363 166,1364 605.408,1365 189.49,1366 565.57,1367 749.37,1368 524,1369 195,1370 541.687,1371 216.975,1372 535.026,1373 778.44,1374 501,1375 4.959} {0 CHEMBL1203655,1 1.617,2 11.857,3 2.981,4 8.888,5 130.039,6 7.767,7 0.324,8 4.223,9 4.319,10 3.804,11 3.699,12 5.443,13 3.704,14 4.741,15 4.889,16 4.124,17 4.053,18 6.015,19 4.043,20 4.919,21 5.083,22 4.253,23 4.229,24 6.06,25 4.209,26 5.09,27 5.241,28 4.385,29 4.309,30 6.351,31 4.299,32 5.215,33 5.383,34 4.454,35 4.371,36 6.436,37 4.365,38 5.289,39 5.46,40 4.472,41 4.418,42 6.55,43 4.396,44 5.356,45 5.55,46 4.42,47 4.411,48 6.541,49 4.367,50 5.334,51 5.543,52 4.325,53 4.325,54 6.734,55 4.264,56 0.219,57 0.846,58 11.868,59 5.794,60 16.438,61 6.957,62 0.737,63 1.285,64 23.732,65 9.109,66 81.833,67 11.395,68 0.561,69 1.565,70 27.899,71 10.949,72 55.127,73 13.892,74 0.844,75 1.721,76 34.012,77 12.904,78 107.537,79 15.847,80 1.11,81 1.898,82 40.447,83 13.864,84 118.325,85 17.256,86 1.369,87 2.042,88 43.696,89 14.654,90 148.312,91 18.589,92 1.474,93 2.089,94 48.958,95 15.988,96 136.754,97 20.712,98 1.971,99 1.979,100 50.005,101 14.99,102 254.477,103 20.156,104 64,105 50,106 0.259,107 0.626,108 0.824,109 0.87,110 0.87,111 0.87,112 3.589,113 0.893,114 -2.97,115 -2.97,116 -2.87,118 40.3,119 2,120 1,121 1,123 1,124 3,134 2,136 1,137 1,140 6,141 2,142 1,143 2,152 1,154 1,162 2,168 10,171 2,172 12,175 1,177 1,180 13,185 1,186 13,191 1,194 8,197 3,198 19,201 1,203 3,206 6,209 1,210 18,213 1,215 2,218 6,221 3,222 13,225 2,227 2,229 5,233 6,234 10,237 1,239 2,242 9,246 9,247 6,250 2,252 1,255 9,258 3,259 6,264 2,267 11,270 2546,271 23.535,272 23.535,273 23.535,274 23.535,275 23.535,276 20.87,277 28.435,278 14.175,279 24.156,280 18.149,281 18.149,282 18.149,283 18.149,284 18.149,285 14.102,286 31.338,287 6.523,288 18.855,289 4.337,290 2.041,291 0.803,292 0.52,293 0.52,294 0.52,295 4.268,300 1,301 858,302 4.472,306 380.21,313 1.649,314 55.381,317 1,318 0.5,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.74,325 78.5,326 415,327 4.668,328 3.905,329 7.151,330 4.355,331 3.363,332 4.165,333 2.612,334 12.516,335 3.333,336 4.259,337 3.777,338 6.324,339 3.762,340 2.788,341 3.931,342 1.674,343 9.342,344 2.716,345 4.111,346 3.495,347 6.01,348 3.702,349 2.714,350 3.495,351 1.36,352 8.547,353 2.675,354 3.897,355 2.968,356 5.681,357 3.513,358 2.522,359 3.444,360 1.34,361 7.372,362 2.5,363 3.76,364 2.893,365 5.34,366 3.316,367 2.345,368 3.183,369 1.216,370 6.965,371 2.276,372 3.502,373 2.737,374 5.154,375 3.095,376 2.133,377 2.685,378 0.819,379 6.014,380 2.038,381 3.144,382 2.505,383 4.748,384 2.771,385 1.823,386 2.222,387 0.32,388 4.762,389 1.716,390 3.003,391 2.159,392 4.516,393 2.562,394 1.61,395 2.123,397 4.088,398 1.54,399 2.946,400 2.056,401 3.787,402 2.513,403 1.554,404 2.089,406 3.335,407 1.472,408 2.602,409 1.645,410 3.738,411 2.22,412 1.309,413 1.593,415 2.873,416 1.188,417 2.5,418 1.551,419 3.592,420 2.104,421 1.152,422 1.5,424 2.731,425 1.085,426 2.492,427 1.461,428 3.436,429 2,430 1,431 1.488,433 2.323,434 1,435 2.462,436 1.433,437 3.325,438 1.984,439 1,440 1.425,442 2.136,443 0.983,444 2.043,445 1.152,446 3.247,447 1.867,448 0.924,449 0.989,451 1.703,452 0.863,453 1.615,454 1,455 3.17,456 1.446,457 0.514,458 0.543,460 1.081,461 0.474,462 16.033,463 0.458,464 0.805,465 0.023,466 43.25,467 1.236,468 21,469 0.6,470 22.25,471 0.636,472 33.746,473 0.964,474 39.167,475 0.632,476 40.371,477 1.153,478 9.094,479 0.26,480 7.773,481 0.222,482 0.177,484 0.337,487 0.68,488 1.286,489 0.739,490 1.182,491 0.629,492 1.017,493 0.857,494 1.019,495 0.826,496 0.908,497 0.515,498 0.868,499 0.876,500 1.06,501 0.88,502 1.033,503 0.681,504 0.961,505 1.076,506 1.145,507 0.967,508 1.166,509 1.159,510 1.069,511 1.199,512 1.078,513 0.983,514 1.044,515 1.03,516 0.97,517 1.105,518 1.11,519 1.073,520 1.106,521 0.952,522 1.081,523 1.109,524 1.05,525 1.068,526 1.086,527 1.028,528 1.078,529 0.962,530 0.914,531 1.077,532 0.963,533 0.852,534 1.034,535 6,536 0.19,537 3.556,538 2.875,539 2.569,540 1.75,541 1.102,542 0.957,543 0.497,544 0.322,545 15267,546 50291,547 1.978,548 43.5,549 1,550 15,552 2,553 1,555 8,558 1.776,559 1.826,560 3.434,561 -0.316,567 100.275,568 1.617,569 3.913,570 5.151,571 5.434,572 5.434,573 5.434,574 2.904,575 4.786,576 5.092,577 3.665,578 2180.6,579 9.001,580 33196.5,585 369.16,586 1.495,587 5.043,588 0.162,589 0.006,590 0.071,591 0.05,592 0.041,593 0.027,594 0.017,595 0.016,596 0.01,597 0.008,598 0.408,599 0.33,600 0.63,601 1.297,602 186.378,603 0.053,604 -0.08,605 0.047,606 -0.054,607 -0.037,608 -0.021,609 0.072,610 0.058,611 0.077,612 0.143,613 0.16,614 0.117,615 -0.077,616 0.044,617 0.004,618 0.015,619 -0.026,620 0.034,621 -0.05,622 -0.108,623 -0.037,624 -0.131,625 -0.077,626 -0.094,627 -0.098,628 -0.07,629 -0.013,630 -0.044,631 -0.071,632 -0.009,633 -0.013,634 -0.092,635 -0.102,636 -0.119,637 -0.011,638 -0.128,639 -0.015,640 -0.091,641 -0.065,642 -0.111,643 -0.064,644 -0.108,645 0.18,646 0.025,647 -0.041,648 -0.019,649 0.275,650 -0.074,651 2.524,652 5.765,653 0.514,654 39.892,655 1.019,656 1.128,657 1.74,658 3.027,659 0.651,660 3.638,661 3.932,662 4.205,663 4.489,664 4.745,665 4.836,666 4.949,667 4.997,668 4.997,669 4.97,670 7.026,671 0.635,672 481.55,673 3.638,674 5.165,675 6.009,676 6.889,677 7.764,678 8.659,679 9.55,680 10.454,681 11.353,682 12.262,683 4.8,692 1,693 1,694 1,699 8,700 1,704 3,706 12,718 1,724 62,726 18,727 1,728 37,730 64,731 25,733 11,734 2,735 4,736 6,739 3,740 3,745 2,749 1,751 1,753 17,754 8,755 1,756 6,759 1,761 3,764 1,765 6,772 27,773 9,774 1,775 10,779 3,784 1,785 7,795 1,802 3,812 1,819 1,822 1,823 2,830 1,831 2,832 3,836 3,840 35,845 1,846 4,848 3,850 1,862 11.3,864 1,865 1,866 2,867 1,868 2,869 19.167,870 12.05,871 8.056,872 3.636,874 2.798,875 1.371,876 0.911,877 9.266,878 10.347,879 3.912,880 4.466,881 4.977,882 5.496,883 6.013,884 6.224,885 6.589,886 6.846,887 7.081,888 7.284,889 0.875,890 57,891 13.023,893 5.51,894 8.067,895 23.889,897 18.673,899 2.567,900 89.833,904 306.049,905 149.021,906 39.241,908 151.575,911 149.021,912 457.623,913 39.241,914 34.204,915 16.312,916 56.857,917 142.861,918 62.399,920 282.506,921 50.747,922 306.049,923 188.262,924 151.575,927 211.88,928 172.997,929 72.747,931 68.842,932 94.207,933 25.212,935 306.049,936 190.816,937 149.021,940 306.049,941 45.535,942 109.156,944 185.146,945 306.049,946 190.816,947 149.021,949 0.566,950 0.337,951 0.19,952 0.11,953 20,954 11,955 0.172,956 11,958 1,959 4.262,960 330.544,962 18,963 173.525,968 26.232,969 12.363,970 6.398,972 185.146,973 13.047,974 3.992,978 1.304,980 42.683,981 645.886,982 49,985 -0.524,987 35.592,990 4.524,991 -0.046,994 63.2,995 69.943,996 0.272,997 0.657,998 0.865,999 0.913,1000 0.913,1001 0.913,1002 5.142,1003 1.61,1004 5.989,1005 4.762,1006 4.615,1007 5.153,1008 3.356,1009 6.819,1010 4.555,1011 6.347,1012 1.554,1013 7.56,1014 4.088,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.164,1020 7.66,1021 1.309,1022 9.24,1023 3.335,1024 6.209,1025 7.306,1026 4.554,1027 10.976,1028 6.118,1029 9.012,1030 1.152,1031 10.987,1032 2.873,1033 6.648,1034 7.922,1035 4.553,1036 12.872,1037 6.579,1038 10.398,1039 1,1040 12.779,1041 2.731,1042 8.121,1043 9.743,1044 6.114,1045 15.575,1046 8.017,1047 11.807,1048 1,1049 14.603,1050 2.323,1051 8.958,1052 10.727,1053 6.568,1054 17.844,1055 8.867,1056 13.235,1057 0.924,1058 16.451,1059 2.136,1060 10.233,1061 12.329,1062 7.86,1063 20.411,1064 10.12,1065 3.363,1066 0.514,1067 18.318,1068 1.703,1069 11.259,1070 13.501,1071 8.551,1072 22.834,1073 11.151,1074 2.788,1075 12.516,1076 20.199,1077 1.081,1078 12.466,1079 15,1080 9.696,1081 25.364,1082 12.344,1083 2.714,1084 9.342,1085 22.094,1086 4.165,1087 13.583,1088 16.273,1089 10.51,1090 27.848,1091 13.46,1092 2.522,1093 8.547,1094 23.999,1095 3.931,1096 14.772,1097 17.722,1098 11.574,1099 30.371,1100 14.639,1101 2.345,1102 7.372,1103 25.912,1104 3.495,1105 15.932,1106 19.052,1107 12.452,1108 32.879,1109 15.795,1110 2.133,1111 6.965,1112 27.834,1113 3.444,1114 17.122,1115 20.477,1116 13.472,1117 35.402,1118 16.978,1119 1.823,1120 6.014,1121 29.761,1122 3.183,1123 18.304,1124 21.84,1125 14.386,1126 37.921,1127 18.154,1128 15232,1129 27825,1130 23.868,1131 40.335,1132 54.595,1133 56.881,1134 57.543,1135 53.923,1136 54.067,1137 70.38,1138 18.683,1139 152.504,1140 52.226,1141 5.626,1142 5.905,1143 6.953,1144 5.414,1145 5.363,1146 7.165,1147 4.612,1148 20.087,1149 5.333,1150 20.703,1151 1.476,1152 1.537,1153 1.555,1154 1.457,1155 1.461,1156 1.902,1157 0.505,1158 4.122,1159 1.412,1160 4.059,1161 4.08,1162 4.022,1163 3.965,1164 7.815,1165 3.972,1166 3.896,1167 3.934,1168 3.84,1169 3.793,1170 7.433,1171 3.795,1172 3.855,1173 3.88,1174 3.811,1175 3.708,1176 6.999,1177 3.726,1178 3.56,1179 3.592,1180 3.483,1181 3.349,1182 6.473,1183 3.37,1184 3.497,1185 3.539,1186 3.438,1187 3.259,1188 4.907,1189 3.268,1190 3.467,1191 3.492,1192 3.351,1193 3.158,1194 4.808,1195 3.173,1196 3.36,1197 3.408,1198 3.218,1199 3.064,1200 4.651,1201 3.126,1202 3.245,1203 3.313,1204 3.066,1205 2.997,1206 4.508,1207 3.018,1208 0.126,1209 0.106,1210 0.193,1211 0.118,1212 0.091,1213 4.668,1214 0.113,1215 3.905,1216 0.071,1217 7.151,1218 0.338,1219 4.355,1220 0.09,1221 3.363,1222 4.165,1223 2.612,1224 12.516,1225 3.333,1226 1.991,1227 1.971,1228 2.071,1229 2.114,1230 1.295,1231 2.092,1232 1.866,1233 1.83,1234 2,1235 1.998,1236 1.182,1237 1.998,1238 1.779,1239 1.755,1240 1.882,1241 1.962,1242 0.991,1243 1.926,1244 1.496,1245 1.45,1246 1.799,1247 1.748,1248 0.935,1249 1.759,1250 1.426,1251 1.377,1252 1.667,1253 1.688,1254 0.791,1255 1.675,1256 1.308,1257 1.257,1258 1.592,1259 1.641,1260 0.705,1261 1.583,1262 1.235,1263 1.182,1264 1.553,1265 1.573,1266 0.602,1267 1.551,1268 1.193,1269 1.141,1270 1.387,1271 1.469,1272 0.575,1273 1.489,1274 4.317,1276 5.617,1278 7.122,1280 8.733,1282 10.408,1284 4.578,1289 10.853,1290 1.195,1292 16.229,1294 -0.912,1300 39.389,1301 100.275,1302 242.592,1303 319.386,1304 336.896,1305 336.896,1306 336.896,1307 109.789,1308 7.549,1309 136.06,1310 136.06,1311 18,1312 12.781,1313 4.248,1314 3.7,1315 69.857,1316 138,1317 189,1318 0.236,1319 244.554,1320 447.67,1321 588.472,1322 18132,1324 25.372,1325 0.725,1326 0.565,1327 25.372,1328 19.763,1329 16.867,1330 0.456,1331 0.298,1332 10.789,1333 15.898,1334 10.484,1335 8.72,1336 16.867,1337 11.008,1338 14.576,1339 0.292,1340 0.153,1341 14.576,1342 7.644,1343 11.871,1344 0.18,1345 0.082,1346 11.871,1347 5.435,1348 9.922,1349 0.113,1350 0.044,1351 9.922,1352 3.849,1353 8.071,1354 0.071,1355 0.023,1356 8.071,1357 2.653,1358 0.362,1359 108.185,1360 0.205,1361 31.765,1362 0.676,1363 174,1364 649.498,1365 197.567,1366 603.415,1367 793.18,1368 560,1369 203,1370 558.598,1371 224.996,1372 556.551,1373 806.3,1374 518,1375 4.143} {0 CHEMBL1203662,1 1.665,2 9.923,3 1.939,4 3.758,5 145.081,6 7.748,7 0.381,8 4.34,9 4.45,10 3.928,11 3.798,12 5.53,13 3.808,14 4.868,15 5.036,16 4.257,17 4.179,18 6.099,19 4.166,20 5.068,21 5.264,22 4.303,23 4.33,24 6.116,25 4.291,26 5.184,27 5.351,28 4.484,29 4.434,30 6.408,31 4.416,32 5.309,33 5.473,34 4.608,35 4.549,36 6.488,37 4.539,38 5.464,39 5.633,40 4.741,41 4.671,42 6.702,43 4.653,44 5.597,45 5.787,46 4.788,47 4.769,48 6.734,49 4.733,50 5.725,51 5.933,52 4.788,53 4.765,54 7.056,55 4.712,56 0.219,57 1.025,58 13.388,59 5.888,60 16.859,61 7.567,62 0.75,63 1.574,64 26.554,65 9.431,66 76.503,67 12.595,68 0.624,69 1.815,70 33.959,71 12.167,72 60.822,73 16.4,74 0.903,75 1.992,76 37.418,77 13.679,78 107.447,79 17.441,80 0.837,81 2.257,82 42.33,83 15.283,84 110.743,85 19.53,86 1.567,87 2.616,88 50.634,89 17.121,90 161.372,91 22.307,92 1.209,93 2.933,94 58.181,95 20.211,96 118.971,97 27.082,98 2.641,99 3.048,100 72.028,101 21.326,102 308.165,103 29.48,104 54,105 57,106 0.259,107 0.621,108 0.789,109 0.825,110 0.852,111 0.875,112 3.694,113 0.902,114 -3.49,115 -3.46,116 -3.31,118 39.1,119 2,120 2,121 1,124 4,134 2,136 1,137 1,140 4,141 1,142 1,143 2,149 2,152 1,154 1,156 2,162 2,168 7,171 4,172 13,175 1,177 1,180 11,186 10,191 1,194 9,197 5,198 21,201 1,203 4,206 10,210 16,215 2,218 8,221 7,222 21,225 3,227 2,229 8,233 4,234 12,237 1,239 1,242 6,246 15,247 17,250 4,252 1,255 4,258 2,259 8,267 2,270 3288,271 26.551,272 26.551,273 26.551,274 26.551,275 26.551,276 23.447,277 32.948,278 16.086,279 27.363,280 20.681,281 20.681,282 20.681,283 20.681,284 20.681,285 15.957,286 36.71,287 7.459,288 21.736,289 4.444,290 2.115,291 1.036,292 0.804,293 0.631,294 0.486,295 4.383,301 810,302 4.637,305 247.269,306 269.962,313 1.325,314 57.87,317 0.5,318 0.5,319 0.5,320 0.6,321 0.5,322 0.33,324 0.42,325 87,326 387,327 4.677,328 3.91,329 7.163,330 4.364,331 3.372,332 4.173,333 2.612,334 12.58,335 3.342,336 4.261,337 3.777,338 6.352,339 3.766,340 2.792,341 3.934,342 1.674,343 9.49,344 2.72,345 4.13,346 3.496,347 6.019,348 3.73,349 2.744,350 3.527,351 1.36,352 8.598,353 2.703,354 3.925,355 2.95,356 5.717,357 3.477,358 2.553,359 3.478,360 1.216,361 7.55,362 2.37,363 3.914,364 2.926,365 5.363,366 3.446,367 2.527,368 3.46,369 1.045,370 7.01,371 2.319,372 3.76,373 2.697,374 5.36,375 3.308,376 2.341,377 3.185,378 0.391,379 6.973,380 2.25,381 3.511,382 2.605,383 5.183,384 3.106,385 2.143,386 2.697,388 6.123,389 2.049,390 3.188,391 2.441,392 4.879,393 2.852,394 1.888,395 2.263,397 5.222,398 1.811,399 3.017,400 2.168,401 4.535,402 2.569,403 1.592,404 2.134,406 4.172,407 1.55,408 2.678,409 1.812,410 3.768,411 2.252,412 1.307,413 1.731,415 2.887,416 1.233,417 2.659,418 1.653,419 3.763,420 2.233,421 1.305,422 1.702,424 2.841,425 1.207,426 2.601,427 1.505,428 3.535,429 2.145,430 1.191,431 1.593,433 2.759,434 1.13,435 2.493,436 1.394,437 3.437,438 2,439 1.036,440 1.48,442 2.323,443 1,444 2.156,445 1.341,446 3.413,447 1.965,448 1,449 1.118,451 2.058,452 0.952,453 2.118,454 1.153,455 3.26,456 1.821,457 0.851,458 0.945,460 1.47,461 0.815,462 17.9,463 0.459,464 0.836,465 0.021,466 49.25,467 1.263,468 23,469 0.59,470 26.25,471 0.673,472 39.458,473 1.012,474 43.3,475 0.628,476 46.957,477 1.204,478 9.989,479 0.256,480 8.934,481 0.229,482 0.13,484 0.318,487 0.688,488 1.496,489 0.736,490 1.223,491 0.604,492 1.032,493 0.774,494 1.029,495 0.853,496 0.937,497 0.467,498 0.904,499 0.919,500 1,501 0.896,502 0.98,503 0.675,504 0.932,505 1.073,506 0.986,507 0.965,508 1.06,509 1.18,510 1.006,511 1.205,512 1.186,513 0.955,514 1.123,515 1.153,516 1.01,517 1.064,518 1.06,519 1.008,520 1.032,521 1.03,522 1.017,523 1.002,524 1.185,525 0.986,526 1.201,527 0.921,528 1.112,529 0.994,530 0.935,531 1.065,532 0.979,533 0.9,534 1.036,535 6.5,536 0.295,537 3.778,538 2.882,539 2.708,540 1.812,541 1.408,542 1.342,543 0.736,544 0.448,545 19444,546 61217,547 2.037,548 43.5,549 1,550 12,551 2,552 4,553 1,554 2,555 6,556 2,558 1.809,559 1.902,560 3.23,561 -0.307,567 114.88,568 1.665,569 3.994,570 5.072,571 5.304,572 5.478,573 5.623,574 2.522,575 4.189,576 5.252,577 3.475,578 2574.64,579 9.359,580 42394.7,585 421.488,586 1.42,587 5.213,588 0.155,589 0.006,590 0.066,591 0.048,592 0.039,593 0.023,594 0.016,595 0.015,596 0.009,597 0.007,598 0.382,599 0.33,600 0.63,601 1.275,602 211.535,603 0.049,604 -0.249,605 0.059,606 -0.107,607 -0.019,608 -0.044,609 0.103,610 0.107,611 0.043,612 0.093,613 0.177,614 0.067,615 -0.105,616 0.055,617 0.022,618 0.063,619 -0.031,620 0.08,621 -0.045,622 0.073,623 -0.037,624 -0.016,625 -0.08,626 -0.025,627 -0.165,628 -0.142,629 -0.024,630 -0.073,631 -0.11,632 -0.024,633 0.042,634 -0.009,635 -0.059,636 -0.016,637 -0.014,638 -0.056,639 -0.041,640 -0.163,641 -0.04,642 -0.176,643 -0.043,644 -0.119,645 0.189,646 0.017,647 -0.042,648 -0.017,649 0.216,650 -0.076,651 2.5,652 6.49,653 0.564,654 43.306,655 1.017,656 1.134,657 2.256,658 5.091,659 0.651,660 3.761,661 4.06,662 4.344,663 4.644,664 4.86,665 5.056,666 5.263,667 5.412,668 5.517,669 5.561,670 6.751,671 0.634,672 534.63,673 3.761,674 5.293,675 6.142,676 7.024,677 7.903,678 8.8,679 9.695,680 10.602,681 11.507,682 12.419,683 8.7,691 2,692 1,693 2,694 1,699 10,700 2,704 2,705 2,706 16,718 1,724 69,726 22,727 1,728 42,730 72,731 27,733 12,734 2,735 4,736 6,739 4,740 4,745 2,749 1,751 2,753 18,754 9,755 1,756 6,759 1,761 3,764 1,765 6,772 30,773 9,774 1,775 12,778 2,779 6,784 1,785 6,801 2,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 4,836 2,840 39,845 1,846 6,848 2,850 1,862 8.7,864 1,865 1,866 1,867 1,868 2,869 20.5,870 12.9,871 8.889,872 4.319,874 2.647,875 1.337,876 0.935,877 9.686,878 10.508,879 4.043,880 4.605,881 5.13,882 5.664,883 6.037,884 6.385,885 6.828,886 7.184,887 7.526,888 7.817,889 0.714,890 60,891 14.535,893 6.216,894 7.979,895 26.912,897 21.431,899 2.479,900 96.667,904 341.362,905 153.486,906 59.825,908 140.575,911 153.486,912 481.937,913 59.825,914 23.32,915 18.465,916 56,917 189.426,918 63.012,919 23.542,920 270.735,921 50.747,922 341.362,923 213.31,924 140.575,927 247.193,928 172.997,929 61.747,931 92.031,932 79.281,933 41.998,935 341.362,936 200.4,937 153.486,940 341.362,941 44.503,942 118.451,944 190.932,945 341.362,946 200.4,947 153.486,949 0.565,950 0.333,951 0.19,952 0.101,953 24,954 12,955 0.181,956 13,958 1,959 4.515,960 402.662,962 22,963 204.131,968 28.272,969 13.361,970 6.828,972 190.932,973 16.292,974 8.158,978 0.289,979 3.734,980 42.683,981 695.247,982 56,985 -0.5,987 36.776,990 4.88,991 0.423,994 70.178,995 78.229,996 0.273,997 0.654,998 0.83,999 0.868,1000 0.897,1001 0.92,1002 5.273,1003 1.888,1004 6.116,1005 6.123,1006 4.745,1007 5.293,1008 3.259,1009 6.94,1010 4.664,1011 6.474,1012 1.592,1013 7.678,1014 5.222,1015 4.29,1016 5.056,1017 2.525,1018 7.91,1019 4.206,1020 7.783,1021 1.307,1022 9.349,1023 4.172,1024 6.333,1025 7.444,1026 4.501,1027 11.066,1028 6.197,1029 9.132,1030 1.305,1031 11.087,1032 2.887,1033 6.758,1034 8.062,1035 4.553,1036 12.945,1037 6.63,1038 10.514,1039 1.191,1040 12.869,1041 2.841,1042 8.231,1043 9.866,1044 6.093,1045 15.641,1046 8.07,1047 11.921,1048 1.036,1049 14.685,1050 2.759,1051 9.058,1052 10.866,1053 6.568,1054 17.904,1055 8.907,1056 13.345,1057 1,1058 16.524,1059 2.323,1060 10.324,1061 12.436,1062 7.853,1063 20.469,1064 10.157,1065 3.372,1066 0.851,1067 18.384,1068 2.058,1069 11.342,1070 13.624,1071 8.551,1072 22.893,1073 11.184,1074 2.792,1075 12.58,1076 20.259,1077 1.47,1078 12.541,1079 15.092,1080 9.694,1081 25.424,1082 12.376,1083 2.744,1084 9.49,1085 22.148,1086 4.173,1087 13.652,1088 16.378,1089 10.51,1090 27.911,1091 13.491,1092 2.553,1093 8.598,1094 24.049,1095 3.934,1096 14.836,1097 17.803,1098 11.573,1099 30.437,1100 14.672,1101 2.527,1102 7.55,1103 25.959,1104 3.527,1105 15.993,1106 19.14,1107 12.452,1108 32.95,1109 15.83,1110 2.341,1111 7.01,1112 27.878,1113 3.478,1114 17.18,1115 20.549,1116 13.472,1117 35.476,1118 17.014,1119 2.143,1120 6.973,1121 29.804,1122 3.46,1123 18.36,1124 21.915,1125 14.386,1126 38,1127 18.193,1128 19030,1129 33953,1130 27.739,1131 44.898,1132 62.807,1133 63.677,1134 64.094,1135 61.757,1136 61.829,1137 80.956,1138 16.597,1139 174.196,1140 59.2,1141 5.625,1142 5.91,1143 6.932,1144 5.426,1145 5.372,1146 7.173,1147 4.612,1148 20.17,1149 5.342,1150 20.519,1151 1.495,1152 1.516,1153 1.526,1154 1.47,1155 1.472,1156 1.928,1157 0.395,1158 4.148,1159 1.41,1160 4.079,1161 4.11,1162 4.038,1163 3.978,1164 7.815,1165 3.986,1166 3.935,1167 3.986,1168 3.885,1169 3.764,1170 7.433,1171 3.782,1172 3.912,1173 3.981,1174 3.849,1175 3.702,1176 6.999,1177 3.73,1178 3.824,1179 3.855,1180 3.791,1181 3.642,1182 6.473,1183 3.67,1184 3.578,1185 3.609,1186 3.495,1187 3.368,1188 4.969,1189 3.387,1190 3.502,1191 3.565,1192 3.435,1193 3.282,1194 4.944,1195 3.28,1196 3.472,1197 3.5,1198 3.342,1199 3.227,1200 4.767,1201 3.213,1202 3.378,1203 3.447,1204 3.21,1205 3.138,1206 4.622,1207 3.175,1208 0.111,1209 0.093,1210 0.171,1211 0.104,1212 0.08,1213 4.677,1214 0.099,1215 3.91,1216 0.062,1217 7.163,1218 0.3,1219 4.364,1220 0.08,1221 3.372,1222 4.173,1223 2.612,1224 12.58,1225 3.342,1226 1.998,1227 1.977,1228 2.079,1229 2.118,1230 1.338,1231 2.099,1232 1.815,1233 1.783,1234 1.937,1235 2.001,1236 1.143,1237 1.97,1238 1.661,1239 1.599,1240 1.856,1241 1.878,1242 1.124,1243 1.874,1244 1.567,1245 1.511,1246 1.806,1247 1.813,1248 0.944,1249 1.795,1250 1.497,1251 1.442,1252 1.803,1253 1.76,1254 0.939,1255 1.768,1256 1.451,1257 1.378,1258 1.675,1259 1.7,1260 0.863,1261 1.702,1262 1.32,1263 1.261,1264 1.51,1265 1.609,1266 0.585,1267 1.535,1268 1.305,1269 1.241,1270 1.489,1271 1.528,1272 0.546,1273 1.522,1274 4.443,1276 5.746,1277 3.045,1278 7.239,1279 5.13,1280 8.835,1281 6.952,1282 10.499,1284 3.423,1289 11.144,1290 1.984,1292 10.978,1294 -0.913,1300 43.739,1301 114.88,1302 275.558,1303 349.978,1304 365.978,1305 377.978,1306 387.978,1307 110.179,1308 7.861,1309 149.58,1310 149.58,1311 22,1312 12.935,1313 4.524,1314 3.907,1315 69.159,1316 148,1317 163,1318 0.216,1319 269.805,1320 480.58,1321 650.083,1322 24236,1324 27.777,1325 0.712,1326 0.558,1327 27.777,1328 21.765,1329 18.922,1330 0.451,1331 0.301,1332 12.378,1333 17.828,1334 12.137,1335 10.037,1336 18.922,1337 12.623,1338 16.406,1339 0.288,1340 0.152,1341 16.406,1342 8.677,1343 13.469,1344 0.177,1345 0.082,1346 13.469,1347 6.222,1348 11.54,1349 0.112,1350 0.044,1351 11.54,1352 4.507,1353 8.581,1354 0.067,1355 0.024,1356 8.581,1357 3.053,1358 0.325,1359 121.036,1360 0.19,1361 34.096,1362 0.646,1363 198,1364 696.698,1365 225.015,1366 654.003,1367 872.35,1368 608,1369 232,1370 633.617,1371 258.166,1372 627.505,1373 911.83,1374 588,1375 5.276} {0 CHEMBL1203671,1 1.722,2 9.056,3 1.493,4 2.228,5 130.918,6 8.209,7 0.41,8 4.22,9 4.323,10 3.857,11 3.672,12 5.47,13 3.701,14 4.728,15 4.883,16 4.194,17 4.054,18 6.028,19 4.066,20 4.889,21 5.053,22 4.252,23 4.217,24 6.031,25 4.198,26 5.077,27 5.236,28 4.447,29 4.316,30 6.35,31 4.326,32 5.175,33 5.321,34 4.603,35 4.442,36 6.439,37 4.464,38 5.357,39 5.511,40 4.715,41 4.58,42 6.657,43 4.587,44 5.511,45 5.693,46 4.733,47 4.621,48 6.764,49 4.611,50 5.514,51 5.718,52 4.613,53 4.563,54 6.907,55 4.52,56 0.258,57 0.91,58 10.401,59 4.909,60 14.566,61 5.924,62 0.801,63 1.389,64 21.4,65 7.709,66 74.169,67 9.601,68 0.577,69 1.599,70 24.692,71 10.262,72 47.641,73 12.756,74 0.978,75 1.797,76 31.868,77 11.595,78 116.841,79 14.159,80 1.057,81 2.047,82 33.705,83 12.514,84 96.153,85 14.929,86 1.377,87 2.398,88 41.148,89 15.019,90 140.508,91 18.379,92 1.831,93 2.617,94 52.41,95 16.937,96 144.391,97 21.608,98 2.186,99 2.56,100 55.399,101 17.095,102 250.121,103 22.852,104 51,105 54,106 0.275,107 0.657,108 0.822,109 0.859,110 0.869,111 0.891,112 3.617,113 0.849,114 -2.87,115 -2.88,116 -2.79,118 40,119 1,121 1,123 1,124 3,134 2,136 1,137 1,140 4,141 1,142 1,143 2,149 2,152 1,154 1,156 2,162 2,168 7,171 4,172 8,175 1,177 1,180 9,185 2,186 12,191 1,194 7,197 3,198 15,201 1,203 3,206 4,209 5,210 20,213 1,215 2,218 3,221 3,222 15,225 2,227 1,229 2,233 10,234 11,237 3,239 1,242 2,246 12,247 8,250 2,255 1,258 7,259 5,262 1,267 1,270 2546,271 24.43,272 24.43,273 24.43,274 24.43,275 24.43,276 21.326,277 31.73,278 14.589,279 25.187,280 19.176,281 19.176,282 19.176,283 19.176,284 19.176,285 14.483,286 42.094,287 6.764,288 20.136,289 4.185,290 1.789,291 0.758,292 0.525,293 0.458,294 0.325,295 4.306,300 1,301 685,302 4.301,305 215.7,306 241.799,313 1.176,314 55.554,317 0.75,318 0.5,319 0.67,320 0.7,322 0.67,323 0.5,324 0.54,325 81,326 326,327 4.681,328 3.911,329 7.164,330 4.366,331 3.376,332 4.18,333 2.612,334 12.589,335 3.343,336 4.263,337 3.777,338 6.361,339 3.771,340 2.798,341 3.938,342 1.674,343 9.545,344 2.723,345 4.153,346 3.495,347 6.024,348 3.751,349 2.774,350 3.586,351 1.36,352 8.636,353 2.712,354 3.943,355 2.999,356 5.753,357 3.507,358 2.575,359 3.478,360 1.216,361 7.778,362 2.403,363 3.887,364 2.964,365 5.409,366 3.415,367 2.486,368 3.395,369 1.128,370 7.1,371 2.299,372 3.73,373 2.775,374 5.402,375 3.254,376 2.285,377 3.172,378 0.686,379 6.85,380 2.205,381 3.473,382 2.478,383 5.059,384 3.03,385 2.077,386 2.665,387 0.211,388 5.85,389 1.965,390 3.136,391 2.262,392 4.772,393 2.738,394 1.779,395 2.225,397 4.888,398 1.696,399 3.011,400 2.148,401 4.516,402 2.546,403 1.565,404 2.123,406 4.076,407 1.53,408 2.624,409 1.646,410 3.759,411 2.179,412 1.224,413 1.646,415 2.841,416 1.166,417 2.59,418 1.479,419 3.68,420 2.094,421 1.173,422 1.591,424 2.604,425 1.076,426 2.574,427 1.46,428 3.444,429 2.043,430 1.108,431 1.578,433 2.549,434 1.032,435 2.468,436 1.284,437 3.435,438 2,439 1,440 1.444,442 2.323,443 1,444 2.118,445 1.248,446 3.279,447 1.844,448 0.902,449 0.982,451 1.65,452 0.842,453 2.118,454 1.146,455 3.172,456 1.554,457 0.618,458 0.927,460 1.372,461 0.577,462 16.4,463 0.456,464 0.836,465 0.023,466 47.75,467 1.326,468 23,469 0.639,470 24.75,471 0.688,472 32.53,473 0.904,474 39.4,475 0.657,476 45.678,477 1.269,478 9.987,479 0.277,480 7.435,481 0.207,482 0.142,484 0.348,487 0.702,488 1.493,489 0.687,490 1.193,491 0.61,492 0.985,493 0.823,494 0.939,495 0.825,496 0.807,497 0.492,498 0.797,499 0.819,500 1.072,501 0.906,502 1.121,503 0.679,504 1.048,505 1.1,506 1.077,507 0.898,508 1.016,509 1.181,510 0.931,511 1.113,512 1.073,513 0.898,514 1.016,515 1.034,516 0.924,517 1.029,518 1.192,519 0.967,520 1.149,521 0.926,522 1.058,523 1.096,524 1.052,525 1.056,526 1.075,527 1.026,528 1.067,529 0.893,530 1.005,531 1.084,532 1.068,533 0.779,534 1.116,535 6.5,536 0.142,537 3.333,538 3.007,539 2.368,540 2.139,541 1.42,542 1.266,543 0.585,544 0.38,545 15149,546 51540,547 2.04,548 40,549 1,550 13,551 2,552 4,553 1,555 3,558 1.791,559 1.895,560 3.107,561 -0.272,567 103.316,568 1.722,569 4.118,570 5.148,571 5.382,572 5.448,573 5.582,574 2.422,575 4.461,576 5.139,577 3.317,578 2089.84,579 9.132,580 32173.4,585 354.413,586 1.459,587 5.092,588 0.167,589 0.005,590 0.062,591 0.053,592 0.035,593 0.027,594 0.016,595 0.015,596 0.008,597 0.008,598 0.395,599 0.33,600 0.75,601 1.248,602 189.16,603 0.03,604 -0.274,605 0.057,606 -0.118,607 -0.034,608 -0.049,609 0.061,610 0.19,611 0.041,612 0.197,613 0.155,614 0.139,615 -0.072,616 0.016,617 -0.053,618 -0.062,619 -0.035,620 -0.05,621 -0.085,622 -0.048,623 0.022,624 0.01,625 -0.099,626 0.036,627 -0.096,628 -0.001,629 -0.005,630 0.002,631 -0.093,632 0.017,633 -0.02,634 -0.147,635 -0.058,636 -0.132,637 0.002,638 -0.104,639 -0.015,640 -0.06,641 -0.078,642 -0.099,643 -0.067,644 -0.112,645 0.147,646 -0.049,647 -0.071,648 -0.102,649 0.221,650 -0.137,651 2.521,652 6.19,653 0.611,654 34.207,655 1.025,656 1.133,657 1.643,658 2.7,659 0.66,660 3.689,661 4.007,662 4.304,663 4.625,664 4.86,665 5.081,666 5.293,667 5.442,668 5.513,669 5.513,670 6.149,671 0.653,672 492.54,673 3.689,674 5.231,675 6.089,676 6.982,677 7.871,678 8.779,679 9.682,680 10.599,681 11.511,682 12.432,683 10,691 2,692 1,693 2,694 1,699 10,700 2,704 2,705 2,706 16,718 1,724 60,726 22,727 1,728 39,730 63,731 24,733 12,734 2,735 4,736 6,739 4,740 4,745 1,749 1,753 18,754 6,755 1,756 6,759 1,761 3,764 1,765 6,772 24,773 9,774 1,775 12,778 2,779 6,784 1,785 6,801 2,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 4,836 2,840 36,845 1,846 3,848 2,850 1,862 10,864 1,865 1,866 1,867 1,868 2,869 19,870 11.4,871 8.139,872 3.403,874 2.715,875 1.351,876 0.94,877 7.981,878 10.455,879 3.989,880 4.575,881 5.112,882 5.674,883 6.081,884 6.485,885 6.962,886 7.342,887 7.684,888 7.969,889 0.833,890 57,891 13.378,893 5.777,894 8.06,895 24.462,897 19.461,899 2.56,900 92.167,904 270.735,905 145.882,906 59.825,908 140.575,911 145.882,912 411.31,913 59.825,914 25.378,915 8.804,916 56,917 189.426,918 63.012,919 23.542,920 200.109,921 50.747,922 270.735,923 205.707,924 140.575,927 235.422,928 114.141,929 61.747,931 73.545,932 90.164,933 41.998,935 270.735,936 200.4,937 145.882,940 270.735,941 34.842,942 120.508,944 190.932,945 270.735,946 200.4,947 145.882,949 0.571,950 0.339,951 0.193,952 0.106,953 24,954 12,955 0.159,956 10,958 1,959 4.24,960 368.775,962 22,963 184.117,968 25.356,969 11.331,970 5.585,972 190.932,973 15.718,974 8.115,978 0.23,979 3.485,980 42.683,981 617.017,982 53,985 -0.521,987 36.287,990 4.767,991 -0.022,994 61.527,995 67.983,996 0.292,997 0.697,998 0.872,999 0.911,1000 0.922,1001 0.945,1002 5.226,1003 1.779,1004 6.075,1005 5.85,1006 4.691,1007 5.263,1008 3.3,1009 6.919,1010 4.609,1011 6.441,1012 1.565,1013 7.65,1014 4.888,1015 4.29,1016 5.056,1017 2.525,1018 7.91,1019 4.206,1020 7.759,1021 1.224,1022 9.331,1023 4.076,1024 6.301,1025 7.433,1026 4.515,1027 11.072,1028 6.164,1029 9.115,1030 1.173,1031 11.076,1032 2.841,1033 6.758,1034 8.062,1035 4.553,1036 12.952,1037 6.627,1038 10.503,1039 1.108,1040 12.864,1041 2.604,1042 8.217,1043 9.865,1044 6.097,1045 15.655,1046 8.053,1047 11.913,1048 1,1049 14.684,1050 2.549,1051 9.062,1052 10.87,1053 6.568,1054 17.915,1055 8.907,1056 13.341,1057 0.902,1058 16.527,1059 2.323,1060 10.325,1061 12.441,1062 7.854,1063 20.483,1064 10.151,1065 3.376,1066 0.618,1067 18.388,1068 1.65,1069 11.353,1070 13.633,1071 8.551,1072 22.904,1073 11.186,1074 2.798,1075 12.589,1076 20.265,1077 1.372,1078 12.552,1079 15.103,1080 9.694,1081 25.437,1082 12.376,1083 2.774,1084 9.545,1085 22.155,1086 4.18,1087 13.668,1088 16.391,1089 10.51,1090 27.923,1091 13.495,1092 2.575,1093 8.636,1094 24.057,1095 3.938,1096 14.853,1097 17.818,1098 11.573,1099 30.449,1100 14.675,1101 2.486,1102 7.778,1103 25.968,1104 3.586,1105 16.012,1106 19.158,1107 12.452,1108 32.961,1109 15.834,1110 2.285,1111 7.1,1112 27.887,1113 3.478,1114 17.201,1115 20.568,1116 13.472,1117 35.488,1118 17.018,1119 2.077,1120 6.85,1121 29.813,1122 3.395,1123 18.383,1124 21.937,1125 14.386,1126 38.012,1127 18.198,1128 14858,1129 27564,1130 25.66,1131 39.614,1132 58.435,1133 59.917,1134 60.308,1135 57.506,1136 57.583,1137 76.645,1138 17.776,1139 165.701,1140 55.071,1141 5.613,1142 5.911,1143 6.933,1144 5.44,1145 5.376,1146 7.18,1147 4.612,1148 20.188,1149 5.343,1150 19.335,1151 1.498,1152 1.536,1153 1.546,1154 1.475,1155 1.476,1156 1.965,1157 0.456,1158 4.249,1159 1.412,1160 4.084,1161 4.117,1162 4.046,1163 3.977,1164 7.815,1165 3.987,1166 3.935,1167 3.98,1168 3.893,1169 3.765,1170 7.433,1171 3.785,1172 3.898,1173 3.967,1174 3.841,1175 3.685,1176 6.999,1177 3.716,1178 3.774,1179 3.805,1180 3.739,1181 3.589,1182 6.473,1183 3.618,1184 3.544,1185 3.582,1186 3.46,1187 3.319,1188 4.983,1189 3.34,1190 3.465,1191 3.486,1192 3.427,1193 3.181,1194 4.943,1195 3.19,1196 3.398,1197 3.436,1198 3.267,1199 3.057,1200 4.748,1201 3.142,1202 3.189,1203 3.248,1204 3.042,1205 2.964,1206 4.613,1207 2.98,1208 0.12,1209 0.1,1210 0.184,1211 0.112,1212 0.087,1213 4.681,1214 0.107,1215 3.911,1216 0.067,1217 7.164,1218 0.323,1219 4.366,1220 0.086,1221 3.376,1222 4.18,1223 2.612,1224 12.589,1225 3.343,1226 1.995,1227 1.975,1228 2.073,1229 2.118,1230 1.312,1231 2.097,1232 1.803,1233 1.773,1234 1.901,1235 1.997,1236 1.043,1237 1.958,1238 1.592,1239 1.535,1240 1.802,1241 1.823,1242 0.967,1243 1.805,1244 1.505,1245 1.446,1246 1.745,1247 1.764,1248 0.936,1249 1.764,1250 1.443,1251 1.384,1252 1.624,1253 1.707,1254 0.772,1255 1.675,1256 1.309,1257 1.258,1258 1.568,1259 1.629,1260 0.581,1261 1.579,1262 1.292,1263 1.225,1264 1.478,1265 1.542,1266 0.464,1267 1.521,1268 1.26,1269 1.207,1270 1.461,1271 1.526,1272 0.445,1273 1.515,1274 4.369,1276 5.687,1277 3.045,1278 7.195,1279 5.13,1280 8.806,1281 6.952,1282 10.482,1284 2.946,1289 11.026,1290 0.514,1292 10.581,1294 -0.96,1300 39.158,1301 103.316,1302 247.088,1303 308.904,1304 322.904,1305 326.904,1306 334.904,1307 95.292,1308 7.74,1309 149.58,1310 149.58,1311 22,1312 12.942,1313 4.524,1314 3.907,1315 60.983,1316 125,1317 130,1318 0.229,1319 241.028,1320 428.68,1321 579.867,1322 20180,1324 25.656,1325 0.713,1326 0.546,1327 25.656,1328 19.644,1329 17.422,1330 0.447,1331 0.283,1332 10.782,1333 16.331,1334 10.55,1335 8.754,1336 17.422,1337 11.035,1338 15.343,1339 0.284,1340 0.145,1341 15.343,1342 7.817,1343 12.749,1344 0.175,1345 0.076,1346 12.749,1347 5.583,1348 10.902,1349 0.108,1350 0.04,1351 10.902,1352 4.067,1353 8.284,1354 0.065,1355 0.021,1356 8.284,1357 2.738,1358 0.34,1359 112.244,1360 0.197,1361 31.675,1362 0.697,1363 186,1364 684.698,1365 212.35,1366 642.602,1367 853.59,1368 596,1369 220,1370 616.708,1371 246.222,1372 615.244,1373 891.95,1374 572,1375 6.222} {0 CHEMBL1203674,1 1.693,2 8.677,3 2.1,4 4.409,5 113.725,6 8.047,7 0.333,8 4.083,9 4.182,10 3.697,11 3.54,12 5.338,13 3.56,14 4.59,15 4.743,16 4.039,17 3.909,18 5.913,19 3.915,20 4.751,21 4.908,22 4.138,23 4.083,24 5.925,25 4.074,26 4.949,27 5.093,28 4.317,29 4.19,30 6.269,31 4.201,32 5.062,33 5.21,34 4.412,35 4.295,36 6.328,37 4.305,38 5.211,39 5.378,40 4.468,41 4.38,42 6.514,43 4.368,44 5.305,45 5.503,46 4.403,47 4.355,48 6.53,49 4.32,50 5.24,51 5.457,52 4.213,53 4.194,54 6.694,55 4.131,56 0.233,57 0.765,58 9.579,59 4.588,60 13.446,61 5.525,62 0.711,63 1.16,64 19.5,65 7.219,66 73.782,67 9.112,68 0.506,69 1.372,70 22.025,71 8.974,72 45.302,73 11.149,74 0.879,75 1.543,76 28.154,77 10.478,78 107.988,79 12.59,80 0.937,81 1.742,82 31.612,83 11.605,84 98.445,85 13.961,86 1.27,87 1.97,88 38.018,89 13.183,90 134.281,91 16.764,92 1.486,93 2.014,94 45.387,95 14.316,96 126.773,97 18.848,98 1.891,99 1.795,100 45.041,101 12.942,102 232.71,103 17.896,104 64,105 46,106 0.28,107 0.675,108 0.858,109 0.883,110 0.883,111 0.883,112 3.473,113 0.864,114 -3,115 -3,116 -2.9,118 39.6,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 9,175 1,177 1,180 10,185 1,186 11,191 1,194 8,197 3,198 16,201 1,203 3,206 6,209 2,210 18,213 1,215 2,218 5,221 2,222 13,225 2,227 2,229 3,233 7,234 10,237 2,239 1,242 3,246 9,247 7,250 2,255 2,258 4,259 3,267 1,270 1725,271 20.706,272 20.706,273 20.706,274 20.706,275 20.706,276 18.171,277 27.818,278 12.243,279 21.295,280 16.166,281 16.166,282 16.166,283 16.166,284 16.166,285 12.312,286 35.121,287 5.6,288 16.854,289 4.035,290 1.641,291 0.533,292 0.382,293 0.382,294 0.382,295 4.147,299 1,300 1,301 554,302 4.123,305 91.509,306 206.114,313 1.236,314 50.115,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 70,326 269,327 4.671,328 3.904,329 7.152,330 4.357,331 3.366,332 4.168,333 2.612,334 12.522,335 3.336,336 4.26,337 3.777,338 6.331,339 3.769,340 2.795,341 3.933,342 1.674,343 9.387,344 2.722,345 4.124,346 3.495,347 6.012,348 3.717,349 2.735,350 3.542,351 1.36,352 8.557,353 2.683,354 3.924,355 2.983,356 5.704,357 3.465,358 2.53,359 3.434,360 1.216,361 7.563,362 2.363,363 3.737,364 2.9,365 5.407,366 3.271,367 2.3,368 3.174,369 1.115,370 6.924,371 2.224,372 3.472,373 2.611,374 5.058,375 3.038,376 2.082,377 2.659,378 0.522,379 5.809,380 1.975,381 3.119,382 2.3,383 4.715,384 2.714,385 1.752,386 2.209,388 4.665,389 1.674,390 2.999,391 2.155,392 4.513,393 2.544,394 1.563,395 2.092,397 4.07,398 1.529,399 2.602,400 1.646,401 3.759,402 2.177,403 1.224,404 1.599,406 2.838,407 1.163,408 2.581,409 1.462,410 3.595,411 2.049,412 1.11,413 1.591,415 2.569,416 1.037,417 2.481,418 1.447,419 3.436,420 2,421 1,422 1.456,424 2.323,425 1,426 2.118,427 1.271,428 3.295,429 1.857,430 0.914,431 0.983,433 1.636,434 0.853,435 2.041,436 1.152,437 3.166,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.498,445 1,446 3,447 1.293,448 0.386,449 0.407,451 0.699,452 0.345,453 1.301,454 0.756,455 2.722,456 1.003,457 0.017,458 0.02,460 0.033,461 0.017,462 14.1,463 0.455,464 0.805,465 0.026,466 39.5,467 1.274,468 19,469 0.613,470 20.5,471 0.661,472 28.023,473 0.904,474 34.5,475 0.651,476 36.308,477 1.171,478 8.293,479 0.268,480 6.574,481 0.212,482 0.201,484 0.376,487 0.675,488 1.397,489 0.707,490 1.185,491 0.622,492 1.001,493 0.751,494 0.964,495 0.756,496 0.831,497 0.468,498 0.791,499 0.85,500 1.077,501 0.87,502 1.069,503 0.685,504 0.982,505 1.119,506 1.092,507 0.945,508 1.066,509 1.189,510 0.985,511 1.16,512 1.118,513 0.974,514 1.077,515 1.045,516 0.996,517 0.975,518 1.19,519 1.01,520 1.156,521 0.875,522 1.098,523 1.048,524 1.038,525 1.063,526 1.092,527 0.976,528 1.093,529 0.864,530 0.968,531 1.096,532 1.037,533 0.781,534 1.111,535 6,536 0.071,537 3.333,538 2.91,539 2.373,540 1.854,541 1.18,542 1.029,543 0.383,544 0.221,545 9792,546 34506,547 1.975,548 41.5,549 1,550 11,551 1,552 2,553 1,555 6,558 1.752,559 1.806,560 3.062,561 -0.265,562 1,563 1,567 89.724,568 1.693,569 4.087,570 5.195,571 5.346,572 5.346,573 5.346,574 2.482,575 4.454,576 4.923,577 3.251,578 1511.78,579 8.687,580 20822.9,582 1,584 1,585 303.58,586 1.541,587 4.858,588 0.182,589 0.006,590 0.072,591 0.057,592 0.04,593 0.029,594 0.018,595 0.017,596 0.009,597 0.009,598 0.439,599 0.33,600 1,601 1.386,602 155.586,603 0.047,604 -0.173,605 0.049,606 -0.079,607 -0.044,608 -0.036,609 0.116,610 0.147,611 0.122,612 0.202,613 0.184,614 0.176,615 -0.095,616 0.041,617 -0.022,618 -0.009,619 -0.04,620 0.01,621 -0.093,622 -0.039,623 -0.038,624 -0.032,625 -0.106,626 -0.026,627 -0.151,628 -0.061,629 -0.066,630 -0.051,631 -0.115,632 -0.04,634 -0.159,635 -0.078,636 -0.149,637 0.006,638 -0.132,639 -0.019,640 -0.076,641 -0.067,642 -0.123,643 -0.073,644 -0.119,645 0.206,646 -0.049,647 -0.053,648 -0.097,649 0.285,650 -0.136,651 2.521,652 5.686,653 0.548,654 27.03,655 1.025,656 1.132,657 1.773,658 3.144,659 0.653,660 3.526,661 3.85,662 4.143,663 4.454,664 4.691,665 4.86,666 5.004,667 5.088,668 5.075,669 4.99,670 5.699,671 0.644,672 426.47,673 3.526,674 5.069,675 5.927,676 6.823,677 7.713,678 8.623,679 9.526,680 10.442,681 11.352,682 12.273,683 7.5,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 53,726 17,727 1,728 33,730 55,731 21,733 9,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 15,754 6,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 22,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 31,845 1,846 2,848 2,850 1,862 11.3,864 1,865 1,866 1,867 1,868 2,869 17.167,870 10.5,871 7.056,872 3.05,874 2.676,875 1.365,876 0.917,877 7.129,878 10.001,879 3.818,880 4.404,881 4.932,882 5.479,883 5.927,884 6.281,885 6.702,886 7.023,887 7.302,888 7.526,889 0.833,890 51,891 11.514,893 4.934,894 8.134,895 20.947,897 16.483,899 2.634,900 81.667,904 247.193,905 125.888,906 41.14,908 140.575,911 125.888,912 387.768,913 41.14,914 34.204,915 6.698,916 46.952,917 140.479,918 52.065,919 11.771,920 211.88,921 50.747,922 247.193,923 167.028,924 140.575,927 176.567,928 149.455,929 61.747,931 60.699,932 81.117,933 25.212,935 247.193,936 181.715,937 125.888,940 247.193,941 32.736,942 100.721,944 174.146,945 247.193,946 181.715,947 125.888,949 0.574,950 0.345,951 0.196,952 0.11,953 20,954 11,955 0.145,956 8,958 1,959 3.831,960 291.618,962 17,963 151.58,968 22.566,969 9.794,970 4.801,972 174.146,973 10.814,974 4.015,978 0.279,979 1.749,980 42.683,981 554.796,982 44.5,985 -0.521,987 35.381,990 4.541,991 0.158,994 54.323,995 59.986,996 0.296,997 0.714,998 0.907,999 0.933,1000 0.933,1001 0.933,1002 5.061,1003 1.563,1004 5.927,1005 4.665,1006 4.533,1007 5.091,1008 3.28,1009 6.786,1010 4.465,1011 6.286,1012 1.224,1013 7.517,1014 4.07,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.139,1020 7.615,1021 1.11,1022 9.213,1023 2.838,1024 6.159,1025 7.273,1026 4.51,1027 10.977,1028 6.048,1029 8.98,1030 1,1031 10.971,1032 2.569,1033 6.661,1034 7.949,1035 4.553,1036 12.878,1037 6.557,1038 10.376,1039 0.914,1040 12.771,1041 2.323,1042 8.099,1043 9.725,1044 6.096,1045 15.583,1046 7.967,1047 11.794,1048 0.618,1049 14.6,1050 1.636,1051 8.972,1052 10.759,1053 6.568,1054 17.852,1055 8.847,1056 13.228,1057 0.386,1058 16.451,1059 1.372,1060 10.229,1061 12.321,1062 7.854,1063 20.42,1064 10.088,1065 3.366,1066 0.017,1067 18.32,1068 0.699,1069 11.274,1070 13.531,1071 8.551,1072 22.842,1073 11.137,1074 2.795,1075 12.522,1076 20.203,1077 0.033,1078 12.473,1079 15.001,1080 9.694,1081 25.372,1082 12.327,1083 2.735,1084 9.387,1085 22.099,1086 4.168,1087 13.598,1088 16.299,1089 10.51,1090 27.856,1091 13.452,1092 2.53,1093 8.557,1094 24.004,1095 3.933,1096 14.785,1097 17.729,1098 11.573,1099 30.379,1100 14.633,1101 2.3,1102 7.563,1103 25.918,1104 3.542,1105 15.948,1106 19.075,1107 12.452,1108 32.887,1109 15.795,1110 2.082,1111 6.924,1112 27.84,1113 3.434,1114 17.138,1115 20.489,1116 13.472,1117 35.41,1118 16.979,1119 1.752,1120 5.809,1121 29.767,1122 3.174,1123 18.321,1124 21.862,1125 14.386,1126 37.929,1127 18.158,1128 9901,1129 18722,1130 21.096,1131 34.602,1132 49.496,1133 51.242,1134 52.225,1135 48.703,1136 48.782,1137 64.392,1138 17,1139 141.936,1140 46.998,1141 5.602,1142 5.904,1143 6.921,1144 5.414,1145 5.366,1146 7.168,1147 4.612,1148 20.1,1149 5.336,1150 18.868,1151 1.5,1152 1.553,1153 1.583,1154 1.476,1155 1.478,1156 1.951,1157 0.515,1158 4.301,1159 1.424,1160 4.069,1161 4.097,1162 4.031,1163 3.969,1164 7.815,1165 3.977,1166 3.925,1167 3.977,1168 3.88,1169 3.748,1170 7.433,1171 3.769,1172 3.81,1173 3.842,1174 3.772,1175 3.63,1176 6.999,1177 3.656,1178 3.553,1179 3.59,1180 3.469,1181 3.335,1182 6.473,1183 3.355,1184 3.47,1185 3.494,1186 3.429,1187 3.192,1188 4.967,1189 3.194,1190 3.398,1191 3.436,1192 3.27,1193 3.068,1194 4.767,1195 3.145,1196 3.247,1197 3.314,1198 3.067,1199 2.997,1200 4.623,1201 3.018,1202 3.089,1203 3.156,1204 2.945,1205 2.898,1206 4.497,1207 2.902,1208 0.142,1209 0.118,1210 0.217,1211 0.132,1212 0.102,1213 4.671,1214 0.126,1215 3.904,1216 0.079,1217 7.152,1218 0.379,1219 4.357,1220 0.101,1221 3.366,1222 4.168,1223 2.612,1224 12.522,1225 3.336,1226 1.993,1227 1.973,1228 2.073,1229 2.116,1230 1.3,1231 2.094,1232 1.794,1233 1.765,1234 1.897,1235 1.985,1236 1.026,1237 1.947,1238 1.548,1239 1.495,1240 1.8,1241 1.783,1242 0.937,1243 1.764,1244 1.491,1245 1.433,1246 1.719,1247 1.748,1248 0.885,1249 1.755,1250 1.315,1251 1.264,1252 1.59,1253 1.641,1254 0.653,1255 1.58,1256 1.273,1257 1.216,1258 1.522,1259 1.571,1260 0.58,1261 1.551,1262 1.231,1263 1.168,1264 1.461,1265 1.525,1266 0.451,1267 1.516,1268 1.169,1269 1.129,1270 1.273,1271 1.451,1272 0.248,1273 1.451,1274 4.205,1276 5.525,1277 2.398,1278 7.045,1279 4.443,1280 8.669,1281 6.26,1282 10.358,1284 4.597,1289 10.785,1290 0.412,1292 10.337,1294 -0.88,1300 34.116,1301 89.724,1302 216.625,1303 275.315,1304 283.315,1305 283.315,1306 283.315,1307 89.298,1308 7.325,1309 131.76,1310 131.76,1311 17,1312 12.783,1313 4.17,1314 3.644,1315 57.222,1316 99,1317 106,1318 0.273,1319 211.91,1320 383.32,1321 508.821,1322 12321,1324 22.543,1325 0.727,1326 0.558,1327 22.543,1328 17.31,1329 14.867,1330 0.451,1331 0.288,1332 9.291,1333 13.944,1334 9.025,1335 7.52,1336 14.867,1337 9.499,1338 13.174,1339 0.286,1340 0.146,1341 13.174,1342 6.721,1343 10.82,1344 0.175,1345 0.077,1346 10.82,1347 4.803,1348 9.224,1349 0.109,1350 0.041,1351 9.224,1352 3.505,1353 7.101,1354 0.066,1355 0.022,1356 7.101,1357 2.376,1358 0.406,1359 95.797,1360 0.218,1361 28.04,1362 0.834,1363 158,1364 597.408,1365 180.826,1366 558.065,1367 736.25,1368 516,1369 187,1370 528.778,1371 208.837,1372 526.146,1373 762.89,1374 489,1375 5.301} {0 CHEMBL1203682,1 1.671,2 8.75,3 2.449,4 5.995,5 118.473,6 7.866,7 0.324,8 4.131,9 4.233,10 3.725,11 3.59,12 5.359,13 3.602,14 4.646,15 4.805,16 4.067,17 3.955,18 5.945,19 3.953,20 4.827,21 4.999,22 4.159,23 4.117,24 5.962,25 4.103,26 4.969,27 5.112,28 4.349,29 4.221,30 6.292,31 4.231,32 5.103,33 5.251,34 4.441,35 4.334,36 6.371,37 4.342,38 5.243,39 5.406,40 4.517,41 4.438,42 6.534,43 4.424,44 5.376,45 5.575,46 4.462,47 4.45,48 6.573,49 4.406,50 5.339,51 5.562,52 4.304,53 4.318,54 6.745,55 4.244,56 0.22,57 0.803,58 10.567,59 4.92,60 14.806,61 6.071,62 0.681,63 1.22,64 21.112,65 7.781,66 73.254,67 10.087,68 0.574,69 1.431,70 25.654,71 9.605,72 54.754,73 12.27,74 0.815,75 1.584,76 29.205,77 10.796,78 100.091,79 13.214,80 0.951,81 1.804,82 33.969,83 12.086,84 109.229,85 14.7,86 1.199,87 2.064,88 39.503,89 13.813,90 132.431,91 17.788,92 1.464,93 2.195,94 48.813,95 15.492,96 129.473,97 20.723,98 1.867,99 2.001,100 49.816,101 14.77,102 237.509,103 20.799,104 67,105 47,106 0.273,107 0.652,108 0.82,109 0.849,110 0.867,111 0.884,112 3.503,113 0.89,114 -3.22,115 -3.21,116 -3.08,118 39.3,119 3,121 1,124 3,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 10,175 1,177 1,180 10,185 1,186 11,191 1,194 8,197 3,198 17,201 1,203 3,206 7,209 2,210 18,213 1,215 2,218 6,221 2,222 14,225 2,227 2,229 6,233 7,234 10,237 2,239 1,242 5,246 9,247 8,250 2,252 1,255 3,258 4,259 5,267 2,270 1914,271 21.413,272 21.413,273 21.413,274 21.413,275 21.413,276 18.878,277 28.897,278 12.849,279 22.041,280 16.704,281 16.704,282 16.704,283 16.704,284 16.704,285 12.872,286 36.284,287 5.896,288 17.472,289 4.137,290 1.815,291 0.79,292 0.612,293 0.505,294 0.398,295 4.179,299 1,300 1,301 575,302 4.243,305 95.881,306 214.093,313 1.266,314 51.604,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 72,326 280,327 4.671,328 3.907,329 7.153,330 4.358,331 3.366,332 4.169,333 2.612,334 12.524,335 3.336,336 4.26,337 3.777,338 6.332,339 3.769,340 2.795,341 3.933,342 1.674,343 9.401,344 2.722,345 4.126,346 3.501,347 6.012,348 3.721,349 2.739,350 3.543,351 1.36,352 8.56,353 2.685,354 3.924,355 2.984,356 5.705,357 3.465,358 2.53,359 3.434,360 1.216,361 7.567,362 2.364,363 3.737,364 2.901,365 5.407,366 3.271,367 2.3,368 3.174,369 1.115,370 6.926,371 2.225,372 3.478,373 2.612,374 5.065,375 3.05,376 2.098,377 2.664,378 0.522,379 5.847,380 1.983,381 3.136,382 2.302,383 4.737,384 2.735,385 1.78,386 2.226,388 4.782,389 1.689,390 2.999,391 2.155,392 4.522,393 2.554,394 1.576,395 2.097,397 4.131,398 1.537,399 2.602,400 1.81,401 3.761,402 2.183,403 1.225,404 1.6,406 2.85,407 1.169,408 2.582,409 1.645,410 3.621,411 2.09,412 1.163,413 1.592,415 2.599,416 1.072,417 2.487,418 1.447,419 3.437,420 2,421 1,422 1.469,424 2.323,425 1,426 2.118,427 1.271,428 3.311,429 1.907,430 0.971,431 1.058,433 1.757,434 0.898,435 2.115,436 1.152,437 3.255,438 1.819,439 0.85,440 0.939,442 1.469,443 0.814,444 2.019,445 1,446 3,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.313,454 0.768,455 2.762,456 1.124,457 0.134,458 0.149,460 0.329,461 0.132,462 14.6,463 0.456,464 0.805,465 0.025,466 40,467 1.25,468 19,469 0.594,470 21,471 0.656,472 30.311,473 0.947,474 35.8,475 0.639,476 36.803,477 1.15,478 8.247,479 0.258,480 7.119,481 0.222,482 0.194,484 0.363,487 0.669,488 1.402,489 0.726,490 1.198,491 0.623,492 1.02,493 0.724,494 1.026,495 0.763,496 0.911,497 0.454,498 0.849,499 0.944,500 0.991,501 0.866,502 0.967,503 0.703,504 0.9,505 1.128,506 1.12,507 0.927,508 1.085,509 1.192,510 0.983,511 1.26,512 1.098,513 1.005,514 1.047,515 1.206,516 0.979,517 0.978,518 1.221,519 0.999,520 1.167,521 0.875,522 1.098,523 1.039,524 1.048,525 1.081,526 1.103,527 0.966,528 1.109,529 0.796,530 0.993,531 1.041,532 1.067,533 0.72,534 1.107,535 6,536 0.071,537 3.333,538 3.035,539 2.373,540 1.91,541 1.201,542 1.088,543 0.395,544 0.297,545 10663,546 36099,547 1.976,548 42.9,549 1,550 10,551 1,552 2,553 1,555 9,558 1.76,559 1.811,560 3.078,561 -0.279,563 1,567 93.556,568 1.671,569 3.992,570 5.017,571 5.195,572 5.303,573 5.41,574 2.493,575 4.328,576 4.968,577 3.284,578 1628.93,579 8.78,580 23012.6,582 1,584 1,585 325.212,586 1.531,587 4.907,588 0.176,589 0.004,590 0.071,591 0.058,592 0.039,593 0.029,594 0.017,595 0.017,596 0.008,597 0.01,598 0.43,599 0.33,600 1,601 1.456,602 162.423,603 0.054,604 -0.167,605 0.05,606 -0.077,607 -0.043,608 -0.034,609 0.139,610 0.088,611 0.124,612 0.131,613 0.194,614 0.13,615 -0.113,616 0.096,617 0.027,618 0.08,619 -0.048,620 0.095,621 -0.078,622 -0.049,623 -0.016,624 -0.043,625 -0.083,626 -0.022,627 -0.178,628 -0.035,629 -0.081,630 -0.02,631 -0.154,632 -0.026,633 0.007,634 -0.167,635 -0.075,636 -0.147,637 0.017,638 -0.13,639 -0.023,640 -0.06,641 -0.099,642 -0.128,643 -0.079,644 -0.139,645 0.228,646 -0.066,647 -0.018,648 -0.114,649 0.297,650 -0.125,651 2.515,652 5.917,653 0.531,654 29.051,655 1.022,656 1.132,657 1.992,658 3.968,659 0.649,660 3.555,661 3.871,662 4.159,663 4.477,664 4.71,665 4.89,666 5.037,667 5.136,668 5.13,669 5.075,670 5.841,671 0.636,672 440.5,673 3.555,674 5.094,675 5.948,676 6.843,677 7.73,678 8.639,679 9.541,680 10.458,681 11.367,682 12.288,683 7.1,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 56,726 17,727 1,728 34,730 58,731 22,733 9,734 2,735 4,736 6,739 3,740 3,745 3,749 1,753 15,754 7,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 24,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 32,845 1,846 3,848 2,850 1,862 10.7,864 1,865 1,866 1,867 1,868 2,869 17.667,870 11,871 7.306,872 3.467,874 2.651,875 1.359,876 0.916,877 7.699,878 10.028,879 3.839,880 4.416,881 4.939,882 5.492,883 5.935,884 6.292,885 6.715,886 7.04,887 7.322,888 7.557,889 0.833,890 52,891 11.909,893 5.09,894 8.099,895 21.763,897 17.119,899 2.599,900 83.167,903 1,904 270.735,905 128.423,906 41.14,908 140.575,911 128.423,912 411.31,913 41.14,914 32.146,915 11.29,916 46.952,917 140.479,918 52.065,919 11.771,920 235.422,921 50.747,922 270.735,923 169.563,924 140.575,927 164.795,928 184.768,929 61.747,931 74.117,932 70.234,933 25.212,935 270.735,936 181.715,937 128.423,940 270.735,941 37.329,942 98.663,944 174.146,945 270.735,946 181.715,947 128.423,949 0.569,950 0.338,951 0.197,952 0.109,953 20,954 11,955 0.155,956 9,958 1,959 3.91,960 303.804,962 17,963 158,968 23.544,969 10.464,970 5.216,972 174.146,973 10.863,974 4.026,978 0.29,979 1.755,980 42.683,981 580.873,982 45.5,985 -0.515,987 35.705,990 4.575,991 0.239,994 57.207,995 63.402,996 0.288,997 0.687,998 0.864,999 0.895,1000 0.913,1001 0.932,1002 5.08,1003 1.576,1004 5.943,1005 4.782,1006 4.554,1007 5.103,1008 3.28,1009 6.797,1010 4.483,1011 6.299,1012 1.225,1013 7.528,1014 4.131,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.139,1020 7.624,1021 1.163,1022 9.22,1023 2.85,1024 6.172,1025 7.277,1026 4.51,1027 10.983,1028 6.056,1029 8.986,1030 1,1031 10.976,1032 2.599,1033 6.661,1034 7.949,1035 4.553,1036 12.88,1037 6.557,1038 10.381,1039 0.971,1040 12.775,1041 2.323,1042 8.107,1043 9.726,1044 6.096,1045 15.587,1046 7.971,1047 11.797,1048 0.85,1049 14.603,1050 1.757,1051 8.974,1052 10.76,1053 6.568,1054 17.854,1055 8.848,1056 13.231,1057 0.618,1058 16.454,1059 1.469,1060 10.234,1061 12.322,1062 7.854,1063 20.423,1064 10.091,1065 3.366,1066 0.134,1067 18.322,1068 1.372,1069 11.277,1070 13.531,1071 8.551,1072 22.844,1073 11.138,1074 2.795,1075 12.524,1076 20.205,1077 0.329,1078 12.477,1079 15.001,1080 9.694,1081 25.375,1082 12.329,1083 2.739,1084 9.401,1085 22.1,1086 4.169,1087 13.601,1088 16.3,1089 10.51,1090 27.858,1091 13.454,1092 2.53,1093 8.56,1094 24.006,1095 3.933,1096 14.788,1097 17.73,1098 11.573,1099 30.381,1100 14.635,1101 2.3,1102 7.567,1103 25.92,1104 3.543,1105 15.951,1106 19.076,1107 12.452,1108 32.89,1109 15.796,1110 2.098,1111 6.926,1112 27.841,1113 3.434,1114 17.14,1115 20.49,1116 13.472,1117 35.413,1118 16.98,1119 1.78,1120 5.847,1121 29.769,1122 3.174,1123 18.324,1124 21.863,1125 14.386,1126 37.932,1127 18.159,1128 10791,1129 20003,1130 21.789,1131 36.364,1132 51.038,1133 52.453,1134 53.223,1135 50.255,1136 50.293,1137 65.948,1138 17,1139 144.872,1140 48.405,1141 5.61,1142 5.907,1143 6.922,1144 5.416,1145 5.366,1146 7.169,1147 4.612,1148 20.104,1149 5.336,1150 19.326,1151 1.501,1152 1.543,1153 1.565,1154 1.478,1155 1.479,1156 1.94,1157 0.5,1158 4.261,1159 1.424,1160 4.069,1161 4.098,1162 4.032,1163 3.969,1164 7.815,1165 3.978,1166 3.925,1167 3.977,1168 3.881,1169 3.748,1170 7.433,1171 3.769,1172 3.811,1173 3.844,1174 3.773,1175 3.631,1176 6.999,1177 3.657,1178 3.573,1179 3.605,1180 3.487,1181 3.349,1182 6.473,1183 3.371,1184 3.498,1185 3.559,1186 3.429,1187 3.273,1188 4.967,1189 3.268,1190 3.458,1191 3.489,1192 3.32,1193 3.157,1194 4.766,1195 3.154,1196 3.298,1197 3.355,1198 3.13,1199 3.063,1200 4.623,1201 3.132,1202 3.138,1203 3.192,1204 3.002,1205 2.928,1206 4.484,1207 2.944,1208 0.137,1209 0.115,1210 0.21,1211 0.128,1212 0.099,1213 4.671,1214 0.123,1215 3.907,1216 0.077,1217 7.153,1218 0.368,1219 4.358,1220 0.098,1221 3.366,1222 4.169,1223 2.612,1224 12.524,1225 3.336,1226 1.993,1227 1.973,1228 2.073,1229 2.116,1230 1.3,1231 2.094,1232 1.794,1233 1.765,1234 1.898,1235 1.986,1236 1.027,1237 1.947,1238 1.557,1239 1.507,1240 1.807,1241 1.797,1242 0.942,1243 1.786,1244 1.495,1245 1.437,1246 1.795,1247 1.756,1248 0.937,1249 1.763,1250 1.458,1251 1.385,1252 1.711,1253 1.704,1254 0.879,1255 1.714,1256 1.306,1257 1.245,1258 1.523,1259 1.623,1260 0.653,1261 1.555,1262 1.268,1263 1.213,1264 1.462,1265 1.526,1266 0.451,1267 1.517,1268 1.172,1269 1.137,1270 1.273,1271 1.454,1272 0.25,1273 1.451,1274 4.234,1276 5.549,1277 2.398,1278 7.062,1279 4.443,1280 8.682,1281 6.26,1282 10.369,1284 5.058,1289 10.842,1290 0.553,1292 10.655,1294 -0.878,1300 35.642,1301 93.556,1302 223.56,1303 280.947,1304 290.947,1305 296.947,1306 302.947,1307 94.757,1308 7.378,1309 131.76,1310 131.76,1311 17,1312 12.798,1313 4.17,1314 3.644,1315 60.133,1316 104,1317 120,1318 0.271,1319 221.502,1320 400.62,1321 532.226,1322 13121,1324 23.25,1325 0.727,1326 0.563,1327 23.25,1328 18.017,1329 15.367,1330 0.452,1331 0.297,1332 9.887,1333 14.449,1334 9.621,1335 8.001,1336 15.367,1337 10.087,1338 13.554,1339 0.288,1340 0.148,1341 13.554,1342 6.95,1343 10.92,1344 0.173,1345 0.078,1346 10.92,1347 4.893,1348 9.6,1349 0.11,1350 0.041,1351 9.6,1352 3.603,1353 7.18,1354 0.065,1355 0.022,1356 7.18,1357 2.415,1358 0.403,1359 98.59,1360 0.214,1361 28.821,1362 0.826,1363 162,1364 601.408,1365 185.49,1366 561.673,1367 743.73,1368 520,1369 191,1370 537.687,1371 213.169,1372 531.645,1373 774.11,1374 497,1375 5.854} {0 CHEMBL1203686,1 1.649,2 8.818,3 2.826,4 7.986,5 122.892,6 7.704,7 0.314,8 4.176,9 4.282,10 3.753,11 3.637,12 5.387,13 3.643,14 4.699,15 4.863,16 4.109,17 4.005,18 5.978,19 3.999,20 4.9,21 5.073,22 4.186,23 4.171,24 6.019,25 4.15,26 5.043,27 5.205,28 4.38,29 4.269,30 6.332,31 4.269,32 5.143,33 5.29,34 4.469,35 4.371,36 6.416,37 4.378,38 5.274,39 5.433,40 4.564,41 4.492,42 6.557,43 4.477,44 5.442,45 5.642,46 4.517,47 4.536,48 6.621,49 4.484,50 5.43,51 5.657,52 4.387,53 4.429,54 6.797,55 4.345,56 0.208,57 0.841,58 11.541,59 5.253,60 15.133,61 6.612,62 0.654,63 1.283,64 22.756,65 8.348,66 74.389,67 11.04,68 0.61,69 1.516,70 28.383,71 10.351,72 58.54,73 13.342,74 0.807,75 1.677,76 33.046,77 11.754,78 100.506,79 15.038,80 0.968,81 1.866,82 36.285,83 12.568,84 119.583,85 15.443,86 1.133,87 2.159,88 41.039,89 14.461,90 130.377,91 18.829,92 1.444,93 2.377,94 52.309,95 16.685,96 131.247,97 22.632,98 1.836,99 2.207,100 54.525,101 16.598,102 241.057,103 23.661,104 82,105 49,106 0.267,107 0.641,108 0.817,109 0.861,110 0.861,111 0.861,112 3.533,113 0.898,114 -3.44,115 -3.42,116 -3.27,118 39,119 4,121 1,124 2,126 1,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 11,175 1,177 1,180 11,185 1,186 11,191 1,194 8,197 3,198 18,201 1,203 3,206 8,209 2,210 18,213 1,215 2,218 7,221 2,222 15,225 2,227 2,229 9,233 7,234 10,237 2,239 1,242 7,246 9,247 9,250 2,252 2,255 4,258 4,259 7,267 3,270 2097,271 21.698,272 21.698,273 21.698,274 21.698,275 21.698,276 19.163,277 29.975,278 12.894,279 22.265,280 17.239,281 17.239,282 17.239,283 17.239,284 17.239,285 13.417,286 38.61,287 6.016,288 18,289 4.233,290 1.923,291 0.835,292 0.56,293 0.56,294 0.56,295 4.206,299 1,300 1,301 596,302 4.472,305 100.253,306 222.073,313 1.289,314 52.827,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 74,326 291,327 4.672,328 3.912,329 7.153,330 4.359,331 3.368,332 4.169,333 2.612,334 12.527,335 3.336,336 4.261,337 3.777,338 6.337,339 3.769,340 2.795,341 3.934,342 1.674,343 9.423,344 2.722,345 4.132,346 3.516,347 6.013,348 3.733,349 2.755,350 3.545,351 1.36,352 8.566,353 2.692,354 3.924,355 2.987,356 5.707,357 3.467,358 2.534,359 3.436,360 1.216,361 7.575,362 2.365,363 3.737,364 2.906,365 5.409,366 3.279,367 2.31,368 3.175,369 1.115,370 6.933,371 2.229,372 3.514,373 2.622,374 5.117,375 3.174,376 2.241,377 2.686,378 0.522,379 6.065,380 2.074,381 3.245,382 2.434,383 4.875,384 2.918,385 1.96,386 2.33,388 5.339,389 1.867,390 3.001,391 2.282,392 4.569,393 2.631,394 1.654,395 2.115,397 4.336,398 1.607,399 2.861,400 2.153,401 4.265,402 2.493,403 1.497,404 1.848,406 3.714,407 1.482,408 2.601,409 1.646,410 3.756,411 2.173,412 1.223,413 1.598,415 2.827,416 1.158,417 2.578,418 1.447,419 3.564,420 2.028,421 1.079,422 1.586,424 2.543,425 1.018,426 2.47,427 1.271,428 3.436,429 2,430 1,431 1.428,433 2.322,434 1,435 2.118,436 1.152,437 3.292,438 1.851,439 0.901,440 0.975,442 1.621,443 0.847,444 2.037,445 1,446 3.098,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.316,454 0.791,455 3,456 1.143,457 0.164,458 0.178,460 0.435,461 0.159,462 15.1,463 0.458,464 0.95,465 0.029,466 40.5,467 1.227,468 19,469 0.576,470 21.5,471 0.652,472 33.144,473 1.004,474 37.1,475 0.629,476 37.693,477 1.142,478 8.213,479 0.249,480 7.51,481 0.228,482 0.221,484 0.384,487 0.665,488 1.407,489 0.744,490 1.21,491 0.631,492 1.037,493 0.698,494 1.047,495 0.74,496 0.938,497 0.436,498 0.855,499 1.04,500 1.002,501 0.94,502 0.986,503 0.727,504 0.941,505 1.066,506 1.076,507 0.855,508 1.036,509 1.122,510 0.922,511 1.359,512 1.079,513 1.035,514 1.02,515 1.367,516 0.964,517 0.981,518 1.251,519 0.991,520 1.177,521 0.878,522 1.099,523 1.032,524 1.057,525 1.099,526 1.112,527 0.957,528 1.123,529 0.74,530 1.016,531 0.998,532 1.091,533 0.673,534 1.104,535 7,536 0.097,537 3.333,538 3.16,539 2.373,540 2.021,541 1.303,542 1.24,543 0.441,544 0.412,545 11538,546 37696,547 1.959,548 44.1,549 1,550 9,551 1,552 2,553 1,555 12,558 1.768,559 1.784,560 3.085,561 -0.292,563 1,567 97.313,568 1.649,569 3.96,570 5.047,571 5.323,572 5.323,573 5.323,574 2.495,575 4.453,576 5.012,577 3.308,578 1746.68,579 8.87,580 25253.8,582 1,585 347.076,586 1.556,587 4.943,588 0.2,589 0.004,590 0.068,591 0.06,592 0.038,593 0.029,594 0.018,595 0.019,596 0.008,597 0.012,598 0.456,599 0.33,600 1,601 1.453,602 169.211,603 0.06,604 -0.161,605 0.05,606 -0.074,607 -0.048,608 -0.033,609 0.162,610 0.071,611 0.157,612 0.113,613 0.212,614 0.135,615 -0.145,616 0.081,617 -0.03,618 0.06,619 -0.07,620 0.051,621 -0.032,622 -0.025,623 0.082,624 0.002,625 -0.034,626 0.057,627 -0.202,628 -0.01,629 -0.094,630 0.008,631 -0.19,632 -0.014,633 0.014,634 -0.174,635 -0.069,636 -0.143,637 0.024,638 -0.126,639 -0.027,640 -0.046,641 -0.126,642 -0.132,643 -0.083,644 -0.155,645 0.244,646 -0.08,647 0.01,648 -0.127,649 0.304,650 -0.116,651 2.513,652 6.128,653 0.515,654 30.81,655 1.018,656 1.132,657 2.207,658 4.87,659 0.646,660 3.584,661 3.912,662 4.174,663 4.5,664 4.727,665 4.92,666 5.069,667 5.182,668 5.182,669 5.153,670 5.959,671 0.63,672 454.53,673 3.584,674 5.13,675 5.979,676 6.876,677 7.758,678 8.669,679 9.567,680 10.485,681 11.392,682 12.314,683 6.8,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 59,726 17,727 1,728 35,730 61,731 23,733 9,734 2,735 4,736 6,739 3,740 3,745 4,749 1,751 1,753 15,754 8,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 26,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 4,840 33,845 1,846 2,848 2,850 2,862 10.2,864 1,865 1,866 1,867 1,868 2,869 18.5,870 11.833,871 7.389,872 3.606,874 2.626,875 1.354,876 0.913,877 7.927,878 10.055,879 3.861,880 4.44,881 4.946,882 5.504,883 5.943,884 6.303,885 6.727,886 7.057,887 7.342,888 7.587,889 0.833,890 53,891 12.296,893 5.266,894 8.076,895 22.52,897 17.793,899 2.576,900 85,903 1,904 294.278,905 132.655,906 41.14,908 140.575,911 132.655,912 434.853,913 41.14,914 40.971,915 6.698,916 46.952,917 140.479,918 52.065,919 11.771,920 258.964,921 50.747,922 294.278,923 173.796,924 140.575,927 153.024,928 220.081,929 61.747,931 78.35,932 70.234,933 25.212,935 294.278,936 181.715,937 132.655,940 294.278,941 32.736,942 107.488,944 174.146,945 294.278,946 181.715,947 132.655,949 0.577,950 0.33,951 0.191,952 0.105,953 21,954 12,955 0.148,956 9,958 1,959 3.962,960 317.426,962 17,963 162.465,968 24.524,969 10.666,970 5.631,972 174.146,973 10.879,974 4.034,978 0.286,979 1.757,980 42.683,981 608.648,982 46.5,985 -0.513,987 36.001,990 4.6,991 0.225,994 60.091,995 66.817,996 0.28,997 0.673,998 0.858,999 0.905,1000 0.905,1001 0.905,1002 5.11,1003 1.654,1004 5.984,1005 5.339,1006 4.595,1007 5.127,1008 3.28,1009 6.834,1010 4.523,1011 6.334,1012 1.497,1013 7.568,1014 4.336,1015 4.29,1016 5.007,1017 2.525,1018 7.849,1019 4.213,1020 7.657,1021 1.223,1022 9.257,1023 3.714,1024 6.213,1025 7.291,1026 4.51,1027 11.003,1028 6.089,1029 9.016,1030 1.079,1031 11.008,1032 2.827,1033 6.711,1034 7.963,1035 4.553,1036 12.89,1037 6.593,1038 10.406,1039 1,1040 12.801,1041 2.543,1042 8.14,1043 9.734,1044 6.096,1045 15.597,1046 7.993,1047 11.819,1048 0.901,1049 14.624,1050 2.322,1051 9.006,1052 10.766,1053 6.568,1054 17.859,1055 8.867,1056 13.249,1057 0.618,1058 16.471,1059 1.621,1060 10.259,1061 12.326,1062 7.854,1063 20.428,1064 10.103,1065 3.368,1066 0.164,1067 18.336,1068 1.372,1069 11.298,1070 13.535,1071 8.551,1072 22.848,1073 11.148,1074 2.795,1075 12.527,1076 20.216,1077 0.435,1078 12.495,1079 15.004,1080 9.694,1081 25.379,1082 12.337,1083 2.755,1084 9.423,1085 22.109,1086 4.169,1087 13.616,1088 16.302,1089 10.51,1090 27.862,1091 13.46,1092 2.534,1093 8.566,1094 24.013,1095 3.934,1096 14.802,1097 17.732,1098 11.573,1099 30.385,1100 14.64,1101 2.31,1102 7.575,1103 25.926,1104 3.545,1105 15.963,1106 19.078,1107 12.452,1108 32.893,1109 15.801,1110 2.241,1111 6.933,1112 27.846,1113 3.436,1114 17.152,1115 20.491,1116 13.472,1117 35.417,1118 16.984,1119 1.96,1120 6.065,1121 29.773,1122 3.175,1123 18.335,1124 21.864,1125 14.386,1126 37.935,1127 18.163,1128 11689,1129 21292,1130 22.194,1131 38.125,1132 53.099,1133 54.379,1134 55.182,1135 52.169,1136 52.2,1137 67.86,1138 17,1139 151.197,1140 50.266,1141 5.617,1142 5.912,1143 6.922,1144 5.419,1145 5.368,1146 7.169,1147 4.612,1148 20.111,1149 5.336,1150 21.101,1151 1.517,1152 1.554,1153 1.577,1154 1.491,1155 1.491,1156 1.939,1157 0.486,1158 4.32,1159 1.436,1160 4.07,1161 4.099,1162 4.033,1163 3.97,1164 7.815,1165 3.978,1166 3.925,1167 3.977,1168 3.881,1169 3.748,1170 7.433,1171 3.77,1172 3.814,1173 3.846,1174 3.775,1175 3.632,1176 6.999,1177 3.658,1178 3.635,1179 3.681,1180 3.527,1181 3.441,1182 6.473,1183 3.445,1184 3.528,1185 3.581,1186 3.429,1187 3.321,1188 4.967,1189 3.327,1190 3.463,1191 3.49,1192 3.377,1193 3.169,1194 4.767,1195 3.164,1196 3.312,1197 3.361,1198 3.169,1199 3.063,1200 4.623,1201 3.14,1202 3.147,1203 3.197,1204 3.015,1205 2.931,1206 4.499,1207 2.949,1208 0.133,1209 0.112,1210 0.204,1211 0.125,1212 0.096,1213 4.672,1214 0.119,1215 3.912,1216 0.075,1217 7.153,1218 0.358,1219 4.359,1220 0.095,1221 3.368,1222 4.169,1223 2.612,1224 12.527,1225 3.336,1226 1.993,1227 1.973,1228 2.074,1229 2.116,1230 1.301,1231 2.095,1232 1.795,1233 1.766,1234 1.907,1235 1.987,1236 1.053,1237 1.949,1238 1.613,1239 1.56,1240 1.877,1241 1.84,1242 1.026,1243 1.849,1244 1.529,1245 1.465,1246 1.799,1247 1.766,1248 0.937,1249 1.763,1250 1.488,1251 1.428,1252 1.713,1253 1.729,1254 0.882,1255 1.734,1256 1.307,1257 1.248,1258 1.523,1259 1.626,1260 0.653,1261 1.555,1262 1.269,1263 1.214,1264 1.462,1265 1.526,1266 0.469,1267 1.517,1268 1.172,1269 1.138,1270 1.417,1271 1.455,1272 0.451,1273 1.451,1274 4.263,1276 5.587,1277 2.398,1278 7.099,1279 4.443,1280 8.715,1281 6.26,1282 10.396,1284 6.829,1289 10.894,1290 0.408,1292 10.884,1294 -1.286,1300 37.169,1301 97.313,1302 233.611,1303 297.792,1304 314.056,1305 314.056,1306 314.056,1307 102.34,1308 7.428,1309 131.76,1310 131.76,1311 17,1312 12.825,1313 4.17,1314 3.644,1315 63.118,1316 109,1317 118,1318 0.27,1319 231.095,1320 417.92,1321 555.631,1322 13923,1324 24.121,1325 0.731,1326 0.572,1327 24.121,1328 18.888,1329 15.722,1330 0.449,1331 0.299,1332 10.285,1333 14.814,1334 9.946,1335 8.306,1336 15.722,1337 10.481,1338 14.395,1339 0.294,1340 0.157,1341 14.395,1342 7.684,1343 11.019,1344 0.172,1345 0.078,1346 11.019,1347 4.961,1348 9.853,1349 0.111,1350 0.041,1351 9.853,1352 3.672,1353 7.251,1354 0.065,1355 0.022,1356 7.251,1357 2.447,1358 0.402,1359 100.634,1360 0.212,1361 29.564,1362 0.821,1363 168,1364 607.408,1365 192.154,1366 568.894,1367 754.15,1368 526,1369 197,1370 548.596,1371 219.501,1372 543.026,1373 788.95,1374 507,1375 5.699} {0 CHEMBL1203687,1 1.716,2 8.633,3 1.751,4 3.066,5 108.977,6 8.249,7 0.344,8 4.034,9 4.129,10 3.667,11 3.487,12 5.318,13 3.515,14 4.531,15 4.678,16 4.009,17 3.861,18 5.879,19 3.876,20 4.669,21 4.807,22 4.117,23 4.049,24 5.886,25 4.045,26 4.927,27 5.073,28 4.285,29 4.159,30 6.249,31 4.17,32 5.018,33 5.169,34 4.381,35 4.251,36 6.287,37 4.263,38 5.163,39 5.329,40 4.416,41 4.312,42 6.491,43 4.306,44 5.228,45 5.426,46 4.327,47 4.247,48 6.49,49 4.222,50 5.125,51 5.34,52 4.078,53 4.026,54 6.634,55 3.969,56 0.247,57 0.726,58 8.578,59 4.257,60 11.81,61 4.975,62 0.739,63 1.099,64 17.882,65 6.652,66 74.389,67 8.113,68 0.434,69 1.312,70 18.111,71 8.312,72 34.857,73 9.96,74 0.949,75 1.502,76 27.096,77 10.168,78 115.567,79 11.953,80 0.929,81 1.676,82 29.385,83 11.106,84 90.804,85 13.246,86 1.325,87 1.86,88 35.503,89 12.347,90 133.973,91 15.31,92 1.513,93 1.828,94 42.018,95 13.176,96 120.878,97 17.003,98 1.896,99 1.556,100 40.585,101 11.269,102 229.593,103 15.302,104 63,105 45,106 0.287,107 0.68,108 0.828,109 0.861,110 0.881,111 0.881,112 3.442,113 0.835,114 -2.78,115 -2.79,116 -2.71,118 40,119 1,121 1,123 2,124 1,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 8,175 1,177 1,180 10,185 1,186 11,191 1,194 8,197 3,198 16,201 1,203 2,206 5,209 2,210 18,213 1,215 2,218 4,221 2,222 12,225 2,227 2,229 1,233 7,234 9,237 2,239 1,242 1,246 9,247 5,250 2,258 4,259 1,270 1566,271 19.999,272 19.999,273 19.999,274 19.999,275 19.999,276 17.464,277 26.74,278 11.638,279 20.47,280 15.628,281 15.628,282 15.628,283 15.628,284 15.628,285 11.751,286 33.958,287 5.304,288 16.238,289 3.928,290 1.573,291 0.685,292 0.485,293 0.365,294 0.365,295 4.115,299 1,300 1,301 535,302 4,305 88.52,306 198.134,313 1.233,314 48.672,317 1,318 0.83,319 1,320 0.8,322 1,323 1,324 0.8,325 68,326 259,327 4.67,328 3.904,329 7.152,330 4.357,331 3.365,332 4.168,333 2.612,334 12.52,335 3.335,336 4.26,337 3.777,338 6.329,339 3.768,340 2.795,341 3.933,342 1.674,343 9.375,344 2.722,345 4.123,346 3.493,347 6.012,348 3.715,349 2.733,350 3.542,351 1.36,352 8.557,353 2.682,354 3.923,355 2.982,356 5.704,357 3.463,358 2.527,359 3.432,360 1.216,361 7.562,362 2.362,363 3.737,364 2.874,365 5.403,366 3.268,367 2.298,368 3.174,369 1.115,370 6.909,371 2.222,372 3.466,373 2.61,374 5.05,375 3.025,376 2.066,377 2.654,378 0.522,379 5.752,380 1.966,381 3.117,382 2.285,383 4.703,384 2.695,385 1.729,386 2.209,388 4.598,389 1.658,390 2.99,391 2.142,392 4.498,393 2.532,394 1.546,395 2.082,397 3.987,398 1.521,399 2.599,400 1.578,401 3.751,402 2.132,403 1.178,404 1.591,406 2.8,407 1.123,408 2.577,409 1.461,410 3.561,411 2.048,412 1.1,413 1.588,415 2.56,416 1.037,417 2.427,418 1.312,419 3.436,420 2,421 1,422 1.399,424 2.322,425 1,426 2.118,427 1.165,428 3.247,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.617,436 1.078,437 3.123,438 1.381,439 0.477,440 0.513,442 0.927,443 0.426,444 1.473,445 1,446 3,447 1.158,448 0.261,449 0.286,451 0.366,452 0.23,453 1.234,454 0.711,455 2.575,456 0.905,457 -0.064,458 -0.073,460 -0.121,461 -0.06,462 13.6,463 0.453,464 0.805,465 0.027,466 39,467 1.3,468 19,469 0.633,470 20,471 0.667,472 25.748,473 0.858,474 33.2,475 0.664,476 35.801,477 1.193,478 8.339,479 0.278,480 6.028,481 0.201,482 0.208,484 0.39,487 0.682,488 1.392,489 0.687,490 1.171,491 0.621,492 0.981,493 0.781,494 0.895,495 0.748,496 0.74,497 0.483,498 0.724,499 0.75,500 1.176,501 0.877,502 1.19,503 0.67,504 1.082,505 1.109,506 1.062,507 0.966,508 1.046,509 1.182,510 0.988,511 1.06,512 1.127,513 0.93,514 1.094,515 0.932,516 0.999,517 0.991,518 1.177,519 1.042,520 1.165,521 0.888,522 1.121,523 1.068,524 1.02,525 1.066,526 1.091,527 0.992,528 1.092,529 0.923,530 0.954,531 1.145,532 1.02,533 0.859,534 1.125,535 6,536 0.071,537 3.333,538 2.785,539 2.373,540 1.854,541 1.16,542 0.938,543 0.346,544 0.141,545 9005,546 33021,547 1.974,548 40,549 1,550 12,551 1,552 2,553 1,555 3,558 1.743,559 1.8,560 3.057,561 -0.25,562 1,563 1,567 85.806,568 1.716,569 4.07,570 4.959,571 5.159,572 5.279,573 5.279,574 2.483,575 4.282,576 4.876,577 3.235,578 1407.35,579 8.588,580 18834.5,582 1,584 1,585 282.193,586 1.549,587 4.808,588 0.188,589 0.007,590 0.074,591 0.056,592 0.042,593 0.029,594 0.019,595 0.017,596 0.009,597 0.007,598 0.448,599 0.33,600 1,601 1.246,602 148.897,603 0.039,604 -0.18,605 0.048,606 -0.082,607 -0.046,608 -0.037,609 0.09,610 0.212,611 0.118,612 0.284,613 0.172,614 0.231,615 -0.075,616 -0.024,617 -0.087,618 -0.118,619 -0.034,620 -0.1,621 -0.108,622 -0.029,623 -0.061,624 -0.02,625 -0.127,626 -0.03,627 -0.119,628 -0.08,629 -0.033,630 -0.07,631 -0.08,632 -0.035,633 -0.015,634 -0.161,635 -0.106,636 -0.169,637 -0.01,638 -0.159,639 -0.021,640 -0.085,641 -0.048,642 -0.126,643 -0.072,644 -0.111,645 0.202,646 -0.066,647 -0.066,648 -0.092,649 0.271,650 -0.146,651 2.527,652 5.616,653 0.567,654 25.013,655 1.029,656 1.131,657 1.55,658 2.403,659 0.657,660 3.497,661 3.829,662 4.127,663 4.431,664 4.673,665 4.828,666 4.963,667 5.024,668 5.017,669 4.92,670 5.584,671 0.652,672 412.44,673 3.497,674 5.043,675 5.905,676 6.804,677 7.696,678 8.606,679 9.511,680 10.427,681 11.337,682 12.257,683 8,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 50,726 17,727 1,728 32,730 52,731 20,733 9,734 2,735 4,736 6,739 3,740 3,745 1,749 1,753 15,754 5,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 20,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 30,845 1,846 1,848 2,850 1,862 12,864 1,865 1,866 1,867 1,868 2,869 16.667,870 10,871 6.806,872 2.633,874 2.677,875 1.368,876 0.918,877 6.574,878 9.948,879 3.795,880 4.391,881 4.925,882 5.467,883 5.917,884 6.262,885 6.68,886 6.986,887 7.266,888 7.475,889 0.833,890 50,891 11.12,893 4.778,894 8.172,895 20.13,897 15.847,899 2.672,900 80.167,904 223.651,905 123.354,906 41.14,908 140.575,911 123.354,912 364.226,913 41.14,914 36.261,915 2.106,916 46.952,917 140.479,918 52.065,919 11.771,920 188.338,921 50.747,922 223.651,923 164.494,924 140.575,927 188.338,928 114.141,929 61.747,931 47.282,932 92,933 25.212,935 223.651,936 181.715,937 123.354,940 223.651,941 28.144,942 102.779,944 174.146,945 223.651,946 181.715,947 123.354,949 0.578,950 0.352,951 0.195,952 0.111,953 20,954 11,955 0.135,956 7,958 1,959 3.755,960 279.347,962 17,963 145.207,968 21.589,969 9.136,970 4.414,972 174.146,973 10.758,974 3.998,978 0.268,979 1.739,980 42.683,981 528.72,982 43.5,985 -0.527,987 35.219,990 4.506,991 0.078,994 51.44,995 56.571,996 0.304,997 0.721,998 0.879,999 0.914,1000 0.935,1001 0.935,1002 5.042,1003 1.546,1004 5.911,1005 4.598,1006 4.511,1007 5.078,1008 3.28,1009 6.774,1010 4.446,1011 6.273,1012 1.178,1013 7.506,1014 3.987,1015 4.205,1016 4.966,1017 2.525,1018 7.82,1019 4.139,1020 7.605,1021 1.1,1022 9.205,1023 2.8,1024 6.146,1025 7.269,1026 4.51,1027 10.972,1028 6.039,1029 8.973,1030 1,1031 10.966,1032 2.56,1033 6.661,1034 7.949,1035 4.553,1036 12.876,1037 6.557,1038 10.371,1039 0.618,1040 12.767,1041 2.322,1042 8.091,1043 9.723,1044 6.096,1045 15.58,1046 7.962,1047 11.79,1048 0.477,1049 14.597,1050 1.372,1051 8.971,1052 10.758,1053 6.568,1054 17.85,1055 8.846,1056 13.226,1057 0.261,1058 16.449,1059 0.927,1060 10.224,1061 12.32,1062 7.854,1063 20.417,1064 10.085,1065 3.365,1066 -0.064,1067 18.318,1068 0.366,1069 11.272,1070 13.53,1071 8.551,1072 22.839,1073 11.135,1074 2.795,1075 12.52,1076 20.202,1077 -0.121,1078 12.469,1079 14.999,1080 9.694,1081 25.37,1082 12.325,1083 2.733,1084 9.375,1085 22.097,1086 4.168,1087 13.595,1088 16.298,1089 10.51,1090 27.853,1091 13.45,1092 2.527,1093 8.557,1094 24.003,1095 3.933,1096 14.781,1097 17.728,1098 11.573,1099 30.376,1100 14.631,1101 2.298,1102 7.562,1103 25.917,1104 3.542,1105 15.945,1106 19.074,1107 12.452,1108 32.884,1109 15.793,1110 2.066,1111 6.909,1112 27.838,1113 3.432,1114 17.135,1115 20.488,1116 13.472,1117 35.407,1118 16.977,1119 1.729,1120 5.752,1121 29.766,1122 3.174,1123 18.318,1124 21.861,1125 14.386,1126 37.926,1127 18.156,1128 9093,1129 17535,1130 20.403,1131 32.841,1132 48.132,1133 49.778,1134 51.19,1135 47.244,1136 47.385,1137 63,1138 17,1139 139.217,1140 45.721,1141 5.602,1142 5.904,1143 6.766,1144 5.414,1145 5.365,1146 7.168,1147 4.612,1148 20.096,1149 5.335,1150 18.393,1151 1.504,1152 1.556,1153 1.6,1154 1.476,1155 1.481,1156 1.969,1157 0.531,1158 4.351,1159 1.429,1160 4.068,1161 4.096,1162 4.03,1163 3.968,1164 7.815,1165 3.976,1166 3.925,1167 3.977,1168 3.88,1169 3.747,1170 7.433,1171 3.769,1172 3.809,1173 3.841,1174 3.772,1175 3.63,1176 6.999,1177 3.656,1178 3.503,1179 3.512,1180 3.45,1181 3.286,1182 6.474,1183 3.316,1184 3.462,1185 3.485,1186 3.423,1187 3.069,1188 4.967,1189 3.146,1190 3.331,1191 3.38,1192 3.203,1193 3.02,1194 4.769,1195 3.059,1196 3.166,1197 3.249,1198 2.974,1199 2.935,1200 4.626,1201 2.934,1202 3.063,1203 3.136,1204 2.887,1205 2.877,1206 4.518,1207 2.873,1208 0.146,1209 0.122,1210 0.224,1211 0.136,1212 0.105,1213 4.67,1214 0.13,1215 3.904,1216 0.082,1217 7.152,1218 0.391,1219 4.357,1220 0.104,1221 3.365,1222 4.168,1223 2.612,1224 12.52,1225 3.335,1226 1.993,1227 1.973,1228 2.073,1229 2.115,1230 1.3,1231 2.094,1232 1.793,1233 1.764,1234 1.895,1235 1.984,1236 1.025,1237 1.946,1238 1.548,1239 1.494,1240 1.72,1241 1.782,1242 0.885,1243 1.758,1244 1.369,1245 1.342,1246 1.616,1247 1.662,1248 0.667,1249 1.632,1250 1.294,1251 1.228,1252 1.59,1253 1.623,1254 0.582,1255 1.566,1256 1.232,1257 1.169,1258 1.499,1259 1.556,1260 0.567,1261 1.544,1262 1.202,1263 1.165,1264 1.453,1265 1.525,1266 0.45,1267 1.515,1268 1.109,1269 1.029,1270 1.271,1271 1.371,1272 0.242,1273 1.4,1274 4.174,1276 5.501,1277 2.398,1278 7.027,1279 4.443,1280 8.655,1281 6.26,1282 10.347,1284 4.16,1289 10.594,1290 0.236,1292 10.019,1294 -0.881,1300 32.589,1301 85.806,1302 203.522,1303 247.928,1304 257.928,1305 263.928,1306 263.928,1307 84.089,1308 7.271,1309 131.76,1310 131.76,1311 17,1312 12.768,1313 4.17,1314 3.644,1315 54.4,1316 94,1317 102,1318 0.275,1319 202.318,1320 366.02,1321 485.415,1322 11543,1324 21.836,1325 0.728,1326 0.553,1327 21.836,1328 16.603,1329 14.367,1330 0.449,1331 0.278,1332 8.695,1333 13.439,1334 8.428,1335 7.039,1336 14.367,1337 8.912,1338 12.793,1339 0.284,1340 0.144,1341 12.793,1342 6.492,1343 10.72,1344 0.176,1345 0.077,1346 10.72,1347 4.716,1348 8.849,1349 0.107,1350 0.041,1351 8.849,1352 3.4,1353 7.011,1354 0.066,1355 0.022,1356 7.011,1357 2.333,1358 0.407,1359 93.004,1360 0.221,1361 27.277,1362 0.837,1363 154,1364 593.408,1365 176.161,1366 554.457,1367 728.77,1368 512,1369 183,1370 519.869,1371 204.505,1372 520.649,1373 751.68,1374 481,1375 4.928} {0 CHEMBL1204213,1 1.494,2 13.2,3 2.91,4 8.47,5 117.253,6 7.417,7 0.364,8 4.075,9 4.195,10 3.643,11 3.651,12 5.185,13 3.625,14 4.604,15 4.778,16 3.999,17 4.044,18 5.683,19 3.995,20 4.875,21 5.08,22 4.095,23 4.189,24 5.959,25 4.121,26 4.944,27 5.174,28 3.99,29 4.133,30 6.057,31 4.047,32 4.834,33 5.062,34 3.882,35 4.037,36 5.884,37 3.947,38 4.763,39 4.99,40 3.837,41 3.923,42 5.999,43 3.844,44 4.656,45 4.886,46 3.661,47 3.824,48 5.757,49 3.747,50 4.52,51 4.729,52 3.613,53 3.773,54 5.651,55 3.688,56 0.016,57 0.787,58 10.639,59 4.809,60 7.273,61 6.361,62 0.215,63 1.28,64 20.044,65 8.078,66 21.89,67 11.08,68 0.151,69 1.584,70 27.794,71 10.741,72 36.036,73 14.792,74 0.456,75 1.611,76 31.896,77 11.044,78 68.022,79 15.16,80 0.234,81 1.427,82 28.258,83 10.43,84 49.459,85 14.271,86 0.518,87 1.346,88 26.734,89 8.986,90 85.614,91 12.368,92 0.344,93 1.211,94 24.134,95 7.631,96 54.975,97 10.355,98 0.25,99 1.049,100 20.225,101 7.469,102 44.494,103 10.01,104 18,105 46,106 0.245,107 0.626,108 0.814,109 0.868,110 0.874,111 0.874,112 3.44,113 0.924,114 -4.24,115 -4.18,116 -3.95,118 44.4,119 2,120 2,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 13,171 2,172 10,175 1,177 2,180 13,186 9,191 2,194 10,197 2,198 11,201 1,203 2,206 9,210 7,215 1,218 7,221 2,222 9,225 3,227 2,229 8,234 3,239 1,242 7,246 1,247 7,252 2,255 9,259 6,264 2,267 6,270 1528,271 20.275,272 20.275,273 20.275,274 20.275,275 20.275,276 18.145,277 26.843,278 11.996,279 20.509,280 16.278,281 16.278,282 16.278,283 16.278,284 16.278,285 12.802,286 29.275,287 5.711,288 16.626,289 4.261,290 1.943,291 0.799,292 0.472,293 0.435,294 0.435,295 4.138,299 1,300 1,301 860,302 3.742,306 316.984,310 233.115,313 2.147,314 29.769,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 64,326 396,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.821,345 3.923,346 3.003,347 5.939,348 3.642,349 2.645,350 3.444,351 0.78,352 8.244,353 2.631,354 3.896,355 2.908,356 5.763,357 3.511,358 2.52,359 3.242,360 0.219,361 7.575,362 2.496,363 3.608,364 2.719,365 5.34,366 3.293,367 2.319,368 2.847,370 6.965,371 2.247,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.992,382 1.951,383 4.255,384 2.661,385 1.694,386 2.121,388 4.009,389 1.635,390 2.92,391 1.751,392 4.15,393 2.443,394 1.474,395 1.95,397 3.429,398 1.424,399 2.732,400 1.539,401 3.823,402 2.256,403 1.27,404 1.731,406 3.228,407 1.251,408 2.5,409 1.502,410 3.69,411 2.225,412 1.236,413 1.5,415 2.949,416 1.221,417 2.492,418 1.311,419 3.535,420 2.12,421 1.114,422 1.457,424 2.498,425 1.114,426 2.409,427 1.251,428 3.387,429 1.956,430 1,431 1.352,433 2.136,434 0.953,435 2.389,436 1,437 3.247,438 1.791,439 0.771,440 1.159,442 1.933,443 0.78,444 1.697,445 0.744,446 2.998,447 1.326,448 0.343,449 0.398,451 0.771,452 0.335,453 1.524,454 0.621,455 2.759,456 1.086,457 0.084,458 0.115,460 0.216,461 0.083,462 14.267,463 0.476,464 0.733,465 0.024,466 39.25,467 1.308,468 20,469 0.667,470 19.25,471 0.642,472 24.948,473 0.832,474 31.333,475 0.58,476 29.979,477 0.999,478 7.541,479 0.251,480 6.984,481 0.233,482 0.117,484 0.343,487 0.666,488 1.296,489 0.775,490 1.058,491 0.546,492 0.948,493 0.607,494 1.069,495 0.824,496 0.97,497 0.541,498 0.928,499 0.884,500 1.188,501 0.893,502 1.085,503 0.8,504 1.002,505 1.237,506 0.915,507 1.043,508 0.944,509 1.326,510 0.962,511 1.151,512 1.084,513 0.97,514 1.05,515 1.262,516 1.001,517 1.16,518 0.961,519 1.035,520 0.969,521 1.201,522 0.983,523 1.729,524 0.872,525 1.207,526 0.862,527 1.619,528 0.936,529 1.287,530 0.996,531 1.089,532 1.029,533 1.4,534 1.037,535 5.5,536 0.14,537 3.556,538 1.75,539 1.933,540 1.049,541 0.606,542 0.495,543 0.276,544 0.214,545 13043,546 32046,547 2.087,548 44.4,549 9,550 9,551 1,552 2,553 1,555 2,558 1.724,559 1.957,560 3.665,561 -0.382,563 1,567 80.686,568 1.494,569 3.812,570 4.956,571 5.282,572 5.32,573 5.32,574 3.14,575 4.148,576 4.873,577 3.856,578 1677.27,579 8.48,580 24031.5,582 1,584 1,585 310.764,586 1.4,587 4.839,588 0.167,589 0.006,590 0.077,591 0.036,592 0.046,593 0.028,594 0.017,595 0.016,596 0.01,597 0.008,598 0.411,599 0.17,600 1,601 0.715,602 156.544,603 -0.018,604 -0.154,605 0.05,606 -0.036,607 -0.031,608 0.006,609 0.161,610 0.026,611 0.071,612 0.021,613 0.069,614 0.029,615 -0.007,616 -0.17,617 0.049,618 -0.094,619 0.039,620 -0.026,621 -0.014,622 0.076,623 -0.034,624 0.015,625 -0.063,626 -0.007,627 -0.058,628 -0.131,629 0.024,630 -0.062,631 -0.078,632 -0.017,633 0.19,634 0.038,635 -0.011,636 -0.025,637 0.188,638 -0.044,639 -0.309,640 0.15,641 -0.178,642 0.066,643 -0.19,644 -0.013,645 -0.08,646 -0.014,647 -0.105,648 -0.045,649 -0.067,650 -0.073,651 1.869,652 6.04,653 0.667,654 35.591,655 0.998,656 1.122,657 3.013,658 9.077,659 0.677,660 3.526,661 3.85,662 4.127,663 4.369,664 4.663,665 4.771,666 4.913,667 5.063,668 5.204,669 5.198,670 7.674,671 0.644,672 400.52,673 3.526,674 5.069,675 5.922,676 6.797,677 7.671,678 8.555,679 9.44,680 10.331,681 11.223,682 12.12,683 7.4,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 54,726 17,727 1,728 33,730 57,731 24,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 2,753 18,754 6,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 24,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 30,846 3,847 1,850 1,851 1,862 3.7,865 2,869 15.333,870 10.35,871 6.583,872 3.428,874 3.236,875 1.408,876 0.988,877 5.804,878 11.167,879 3.807,880 4.357,881 4.927,882 5.449,883 6.009,884 6.287,885 6.667,886 7.047,887 7.46,888 7.702,889 0.889,890 49,891 11.138,893 4.773,894 7.756,895 21.248,897 17.489,899 2.256,900 67.667,903 1,904 270.735,905 145.537,906 54.706,908 50.29,911 145.537,912 321.025,913 54.706,914 17.65,915 37.357,916 66.334,917 102.355,918 50.379,919 11.771,920 235.422,922 270.735,923 200.244,924 50.29,927 247.193,928 73.832,931 80.841,932 83.665,933 35.738,935 270.735,936 104.996,937 145.537,940 270.735,941 34.411,942 114.251,943 18.011,944 83.861,945 270.735,946 104.996,947 145.537,949 0.582,950 0.34,951 0.176,952 0.1,953 22,954 10,955 0.105,956 6,957 2,958 1.2,959 4.216,960 263.238,961 0.2,962 20,963 145.207,968 20.093,969 8.666,970 4.384,972 104.996,973 13.286,974 4.094,978 3.455,980 18.011,981 521.269,982 44,987 25.599,989 4.983,990 4.574,991 0.597,994 53.898,995 60.564,996 0.26,997 0.662,998 0.861,999 0.918,1000 0.924,1001 0.924,1002 5.05,1003 1.474,1004 5.905,1005 4.009,1006 4.533,1007 5.043,1008 2.023,1009 6.715,1010 4.494,1011 6.249,1012 1.27,1013 7.467,1014 3.429,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.548,1021 1.236,1022 9.13,1023 3.228,1024 6.125,1025 7.16,1026 2.145,1027 10.727,1028 6.046,1029 8.882,1030 1.114,1031 10.854,1032 2.949,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.442,1038 10.248,1039 1,1040 12.616,1041 2.498,1042 8.005,1043 9.549,1044 2.343,1045 15.089,1046 7.888,1047 11.637,1048 0.771,1049 14.403,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.659,1056 13.044,1057 0.343,1058 16.21,1059 1.933,1060 10.056,1061 12.091,1062 2.593,1063 19.646,1064 9.894,1065 3.24,1066 0.084,1067 18.031,1068 0.771,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.845,1074 2.839,1075 11.139,1076 19.863,1077 0.216,1078 12.211,1079 14.729,1080 2.884,1081 24.317,1082 11.998,1083 2.645,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.036,1092 2.52,1093 8.244,1094 23.553,1095 3.632,1096 14.431,1097 17.43,1098 3.21,1099 29.052,1100 14.161,1101 2.319,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.242,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.361,1119 1.694,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.465,1128 12358,1129 19545,1130 22.076,1131 36.546,1132 50.648,1133 51.829,1134 50.648,1135 49.294,1136 49.271,1137 63.595,1138 6.628,1139 140.936,1140 48.347,1141 5.482,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 14.39,1151 1.535,1152 1.571,1153 1.535,1154 1.494,1155 1.493,1156 1.927,1157 0.201,1158 4.271,1159 1.465,1160 4.052,1161 4.082,1162 4.018,1163 3.959,1164 7.431,1165 3.967,1166 3.899,1167 3.943,1168 3.826,1169 3.802,1170 7.425,1171 3.801,1172 3.81,1173 3.844,1174 3.751,1175 3.712,1176 4.901,1177 3.718,1178 3.601,1179 3.667,1180 3.493,1181 3.428,1182 4.861,1183 3.43,1184 3.491,1185 3.553,1186 3.342,1187 3.362,1188 4.552,1189 3.348,1190 3.256,1191 3.305,1192 3.147,1193 3.063,1194 4.229,1195 3.081,1196 3.179,1197 3.203,1198 3.118,1199 2.993,1200 4.132,1201 3.016,1202 2.971,1203 3.044,1204 2.836,1205 2.815,1206 3.949,1207 2.808,1208 0.138,1209 0.115,1210 0.206,1211 0.128,1212 0.098,1213 4.557,1214 0.126,1215 3.807,1216 0.038,1217 6.792,1218 0.338,1219 4.211,1220 0.095,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.273,1231 2.091,1232 1.876,1233 1.837,1234 2.024,1235 2.003,1236 1.267,1237 2.012,1238 1.787,1239 1.755,1240 1.913,1241 1.916,1242 1.027,1243 1.92,1244 1.57,1245 1.507,1246 1.795,1247 1.779,1248 0.912,1249 1.787,1250 1.507,1251 1.445,1252 1.739,1253 1.665,1254 0.862,1255 1.694,1256 1.186,1257 1.141,1258 1.417,1259 1.428,1260 0.522,1261 1.417,1262 1.098,1263 1.069,1264 1.391,1265 1.315,1266 0.469,1267 1.308,1268 0.966,1269 0.899,1270 1.255,1271 1.239,1272 0.293,1273 1.292,1274 4.205,1276 5.525,1278 7.05,1280 8.672,1282 10.349,1284 4.175,1290 2.211,1291 2.919,1294 0.318,1295 1.455,1300 34.783,1301 80.686,1302 205.829,1303 267.645,1304 285.254,1305 287.254,1306 287.254,1307 57.417,1308 7.931,1309 76.36,1310 76.36,1311 24,1312 12.645,1313 4.17,1314 3.585,1315 47.35,1316 138,1317 148,1318 0.167,1319 214.381,1320 385.06,1321 514.85,1322 33263,1324 21.087,1325 0.703,1326 0.571,1327 21.087,1328 17.13,1329 14.525,1330 0.44,1331 0.308,1332 10.055,1333 14.1,1334 9.763,1335 8.157,1336 14.525,1337 10.159,1338 13.099,1339 0.285,1340 0.168,1341 13.099,1342 7.715,1343 11.128,1344 0.182,1345 0.085,1346 11.128,1347 5.211,1348 8.917,1349 0.114,1350 0.044,1351 8.917,1352 3.458,1353 7.54,1354 0.072,1355 0.023,1356 7.54,1357 2.415,1358 0.268,1359 90.204,1360 0.213,1361 28.839,1362 0.439,1363 158,1364 440.739,1365 170.394,1366 432.287,1367 594.22,1368 404,1369 186,1370 440.766,1371 199.145,1372 449.203,1373 657.62,1374 423,1375 7} {0 CHEMBL1204214,1 1.444,2 15.667,3 4.279,4 18.31,5 131.056,6 7.026,7 0.333,8 4.212,9 4.339,10 3.73,11 3.78,12 5.27,13 3.74,14 4.761,15 4.947,16 4.07,17 4.176,18 5.774,19 4.105,20 5.049,21 5.277,22 4.161,23 4.321,24 6.05,25 4.228,26 5.107,27 5.355,28 4.063,29 4.272,30 6.139,31 4.162,32 5.016,33 5.265,34 3.96,35 4.191,36 5.98,37 4.075,38 4.949,39 5.192,40 3.919,41 4.097,42 6.077,43 3.989,44 4.875,45 5.122,46 3.741,47 4.012,48 5.87,49 3.9,50 4.753,51 4.987,52 3.674,53 3.955,54 5.72,55 3.831,56 0.036,57 0.906,58 13.418,59 5.853,60 8.413,61 8.017,62 0.25,63 1.479,64 24.958,65 9.906,66 24.321,67 13.983,68 0.211,69 1.839,70 34.759,71 13.152,72 41.898,73 18.75,74 0.499,75 1.853,76 38.414,77 13.352,78 71.496,79 19.003,80 0.295,81 1.676,82 34.773,83 12.663,84 51.994,85 17.94,86 0.536,87 1.578,88 32.845,89 11.241,90 89.914,91 16.056,92 0.413,93 1.468,94 30.756,95 9.797,96 61.422,97 13.976,98 0.236,99 1.312,100 26.356,101 9.638,102 41.63,103 13.594,104 18,105 49,106 0.23,107 0.585,108 0.784,109 0.864,110 0.879,111 0.879,112 3.531,113 0.972,114 -4.86,115 -4.76,116 -4.47,118 42.9,119 2,120 5,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 16,171 2,172 10,175 1,177 2,180 16,186 9,191 2,194 13,197 2,198 11,201 1,203 2,206 12,210 8,215 1,218 10,221 2,222 10,225 2,227 2,229 10,234 4,239 2,242 8,247 6,252 3,255 9,259 6,262 1,264 3,267 7,270 2199,271 22.397,272 22.397,273 22.397,274 22.397,275 22.397,276 20.267,277 26.843,278 13.496,279 22.63,280 17.778,281 17.778,282 17.778,283 17.778,284 17.778,285 14.302,286 27.358,287 6.461,288 18.126,289 4.533,290 2.31,291 1.065,292 0.564,293 0.468,294 0.468,295 4.229,300 1,301 1120,302 4.123,306 377.17,310 276.698,313 2.485,314 30.426,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 70,326 517,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.922,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.63,354 3.896,355 2.908,356 5.763,357 3.512,358 2.522,359 3.242,360 0.219,361 7.575,362 2.498,363 3.608,364 2.718,365 5.34,366 3.294,367 2.321,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.995,382 1.958,383 4.259,384 2.83,385 1.842,386 2.121,388 4.059,389 1.82,390 2.95,391 1.87,392 4.15,393 2.556,394 1.587,395 1.983,397 3.531,398 1.535,399 2.749,400 1.639,401 3.832,402 2.402,403 1.422,404 1.737,406 3.425,407 1.388,408 2.724,409 1.538,410 3.813,411 2.255,412 1.27,413 1.725,415 3.097,416 1.25,417 2.5,418 1.385,419 3.61,420 2.218,421 1.23,422 1.5,424 2.944,425 1.214,426 2.481,427 1.311,428 3.534,429 2.093,430 1.088,431 1.445,433 2.35,434 1.088,435 2.393,436 1.251,437 3.291,438 1.956,439 1,440 1.245,442 2.136,443 0.953,444 2.282,445 1,446 3.247,447 1.792,448 0.772,449 1.155,451 1.933,452 0.781,453 1.722,454 0.825,455 2.998,456 1.537,457 0.544,458 0.601,460 1.162,461 0.537,462 15.767,463 0.478,464 0.733,465 0.022,466 40.75,467 1.235,468 20,469 0.606,470 20.75,471 0.629,472 30.403,473 0.921,474 35.233,475 0.559,476 30.842,477 0.935,478 7.541,479 0.229,480 8.484,481 0.257,482 0.106,484 0.311,487 0.668,488 1.317,489 0.833,490 1.104,491 0.542,492 1.003,493 0.601,494 1.116,495 0.882,496 1.037,497 0.526,498 0.996,499 0.84,500 1.151,501 0.878,502 1.058,503 0.755,504 0.983,505 1.178,506 0.919,507 1.005,508 0.941,509 1.26,510 0.95,511 1.112,512 1.018,513 0.949,514 0.999,515 1.193,516 0.965,517 1.096,518 0.998,519 1.011,520 0.989,521 1.135,522 0.991,523 1.724,524 0.881,525 1.225,526 0.887,527 1.661,528 0.972,529 1.202,530 1.119,531 1.13,532 1.123,533 1.26,534 1.122,535 5.5,536 0.165,537 3.556,538 1.75,539 1.933,540 1.104,541 0.606,542 0.432,543 0.255,544 0.249,545 18402,546 42445,547 2.079,548 47.6,549 15,550 9,551 1,552 2,553 1,555 2,558 1.745,559 1.96,560 3.886,561 -0.412,567 90.98,568 1.444,569 3.667,570 4.912,571 5.414,572 5.509,573 5.509,574 3.392,575 4.681,576 5.01,577 4.105,578 2167.37,579 8.735,580 35113.9,582 1,585 376.569,586 1.35,587 4.982,588 0.153,589 0.006,590 0.073,591 0.034,592 0.043,593 0.027,594 0.016,595 0.014,596 0.008,597 0.009,598 0.382,599 0.17,600 1,601 0.675,602 180.581,603 -0.005,604 -0.14,605 0.051,606 -0.032,607 -0.011,608 0.007,609 0.168,610 -0.01,611 0.047,612 -0.015,613 0.085,614 -0.004,615 0.025,616 -0.137,617 0.084,618 -0.055,619 0.071,620 0.011,621 0.025,622 0.066,623 0.004,624 0.023,625 -0.019,626 0.014,627 -0.04,628 -0.06,629 0.045,630 -0.013,631 -0.048,632 0.021,633 0.184,634 -0.011,635 0.005,636 -0.031,637 0.194,638 -0.034,639 -0.296,640 0.132,641 -0.192,642 0.045,643 -0.226,644 -0.04,645 -0.123,646 -0.131,647 -0.145,648 -0.136,649 -0.125,650 -0.143,651 1.838,652 6.088,653 0.606,654 46.127,655 0.993,656 1.124,657 3.626,658 13.149,659 0.664,660 3.611,661 3.912,662 4.174,663 4.407,664 4.691,665 4.796,666 4.927,667 5.069,668 5.204,669 5.193,670 9.068,671 0.625,672 442.61,673 3.611,674 5.142,675 5.984,676 6.849,677 7.715,678 8.591,679 9.47,680 10.355,681 11.242,682 12.135,683 6.3,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 63,726 17,727 1,728 36,730 66,731 27,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 5,753 18,754 9,755 1,756 5,761 2,763 3,764 1,765 4,772 30,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 33,846 6,847 1,850 1,851 1,862 3.2,865 2,869 16.833,870 11.85,871 7.333,872 4.178,874 3.162,875 1.392,876 0.976,877 7.391,878 11.221,879 3.871,880 4.394,881 4.949,882 5.462,883 6.016,884 6.293,885 6.666,886 7.04,887 7.447,888 7.682,889 1,890 52,891 12.275,893 5.201,894 7.687,895 23.697,897 19.489,899 2.187,900 72.167,904 341.362,905 153.141,906 54.706,908 50.29,911 153.141,912 391.652,913 54.706,914 17.65,915 44.961,916 66.334,917 102.355,918 50.379,919 11.771,920 306.049,922 341.362,923 207.847,924 50.29,927 317.82,928 73.832,931 88.444,932 83.665,933 35.738,935 341.362,936 104.996,937 153.141,940 341.362,941 42.015,942 114.251,943 18.011,944 83.861,945 341.362,946 104.996,947 153.141,949 0.575,950 0.332,951 0.171,952 0.097,953 22,954 10,955 0.136,956 9,957 2,958 1.2,959 4.576,960 288.939,961 0.2,962 20,963 162.465,968 22.98,969 10.614,970 5.598,972 104.996,973 13.579,974 4.138,978 3.6,980 18.011,981 599.499,982 47,987 25.715,989 5.041,990 4.593,991 0.674,994 62.549,995 70.81,996 0.242,997 0.614,998 0.822,999 0.906,1000 0.922,1001 0.922,1002 5.106,1003 1.587,1004 5.953,1005 4.059,1006 4.595,1007 5.081,1008 2.023,1009 6.744,1010 4.559,1011 6.289,1012 1.422,1013 7.501,1014 3.531,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.578,1021 1.27,1022 9.153,1023 3.425,1024 6.163,1025 7.174,1026 2.145,1027 10.733,1028 6.088,1029 8.903,1030 1.23,1031 10.868,1032 3.097,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.442,1038 10.263,1039 1.088,1040 12.625,1041 2.944,1042 8.025,1043 9.553,1044 2.343,1045 15.09,1046 7.91,1047 11.647,1048 1,1049 14.409,1050 2.35,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.659,1056 13.051,1057 0.772,1058 16.213,1059 2.136,1060 10.065,1061 12.092,1062 2.593,1063 19.646,1064 9.905,1065 3.24,1066 0.544,1067 18.033,1068 1.933,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.845,1074 2.839,1075 11.139,1076 19.864,1077 1.162,1078 12.215,1079 14.729,1080 2.884,1081 24.317,1082 12.003,1083 2.644,1084 9.033,1085 21.705,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.036,1092 2.522,1093 8.244,1094 23.554,1095 3.632,1096 14.432,1097 17.43,1098 3.21,1099 29.052,1100 14.163,1101 2.321,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.242,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.362,1119 1.842,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.465,1128 17414,1129 26656,1130 24.156,1131 41.83,1132 54.458,1133 55.492,1134 54.506,1135 53.049,1136 53.032,1137 67.351,1138 6.628,1139 148.443,1140 52.11,1141 5.511,1142 5.807,1143 6.655,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 15.553,1151 1.513,1152 1.541,1153 1.514,1154 1.474,1155 1.473,1156 1.871,1157 0.184,1158 4.123,1159 1.447,1160 4.053,1161 4.083,1162 4.018,1163 3.96,1164 7.431,1165 3.968,1166 3.905,1167 3.95,1168 3.827,1169 3.809,1170 7.425,1171 3.807,1172 3.818,1173 3.855,1174 3.756,1175 3.717,1176 4.901,1177 3.723,1178 3.704,1179 3.768,1180 3.565,1181 3.571,1182 4.862,1183 3.559,1184 3.545,1185 3.602,1186 3.427,1187 3.404,1188 4.552,1189 3.398,1190 3.431,1191 3.504,1192 3.276,1193 3.265,1194 4.248,1195 3.257,1196 3.234,1197 3.287,1198 3.12,1199 3.05,1200 4.165,1201 3.062,1202 3.178,1203 3.204,1204 3.1,1205 2.993,1206 4.017,1207 3.015,1208 0.127,1209 0.106,1210 0.189,1211 0.117,1212 0.09,1213 4.557,1214 0.115,1215 3.807,1216 0.035,1217 6.792,1218 0.309,1219 4.211,1220 0.087,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.383,1231 2.091,1232 1.884,1233 1.843,1234 2.056,1235 2.01,1236 1.268,1237 2.026,1238 1.794,1239 1.761,1240 1.942,1241 1.934,1242 1.149,1243 1.94,1244 1.708,1245 1.648,1246 1.9,1247 1.867,1248 1.025,1249 1.886,1250 1.535,1251 1.48,1252 1.759,1253 1.716,1254 0.896,1255 1.731,1256 1.431,1257 1.359,1258 1.698,1259 1.628,1260 0.859,1261 1.657,1262 1.181,1263 1.132,1264 1.426,1265 1.417,1266 0.612,1267 1.419,1268 1.098,1269 1.069,1270 1.417,1271 1.316,1272 0.469,1273 1.308,1274 4.29,1276 5.595,1278 7.101,1280 8.707,1282 10.373,1284 4.187,1290 5.877,1291 2.968,1294 0.321,1295 1.472,1300 39.364,1301 90.98,1302 231.029,1303 309.449,1304 341.059,1305 347.059,1306 347.059,1307 67.508,1308 8.058,1309 76.36,1310 76.36,1311 24,1312 12.664,1313 4.17,1314 3.585,1315 54.967,1316 177,1317 196,1318 0.146,1319 243.158,1320 436.96,1321 585.066,1322 42006,1324 23.209,1325 0.703,1326 0.583,1327 23.209,1328 19.252,1329 16.025,1330 0.445,1331 0.324,1332 11.555,1333 15.6,1334 11.234,1335 9.407,1336 16.025,1337 11.659,1338 14.159,1339 0.289,1340 0.179,1341 14.159,1342 8.776,1343 11.878,1344 0.186,1345 0.093,1346 11.878,1347 5.961,1348 9.447,1349 0.117,1350 0.049,1351 9.447,1352 3.973,1353 7.911,1354 0.073,1355 0.026,1356 7.911,1357 2.777,1358 0.24,1359 99.204,1360 0.203,1361 31.744,1362 0.37,1363 170,1364 452.739,1365 182.394,1366 444.771,1367 611.5,1368 416,1369 198,1370 452.766,1371 211.145,1372 461.688,1373 674.9,1374 435,1375 7} {0 CHEMBL1204215,1 1.494,2 13.867,3 3.145,4 9.89,5 117.745,6 7.417,7 0.364,8 4.075,9 4.195,10 3.643,11 3.651,12 5.184,13 3.625,14 4.604,15 4.781,16 3.998,17 4.04,18 5.68,19 3.991,20 4.854,21 5.052,22 4.095,23 4.183,24 5.945,25 4.117,26 4.944,27 5.172,28 3.979,29 4.127,30 6.052,31 4.038,32 4.858,33 5.105,34 3.856,35 4.015,36 5.892,37 3.923,38 4.728,39 4.948,40 3.778,41 3.91,42 5.949,43 3.823,44 4.649,45 4.881,46 3.606,47 3.833,48 5.684,49 3.728,50 4.559,51 4.797,52 3.532,53 3.742,54 5.596,55 3.636,56 0.016,57 0.787,58 10.639,59 4.809,60 6.772,61 6.361,62 0.218,63 1.277,64 20.124,65 8.07,66 20.377,67 11.09,68 0.142,69 1.562,70 26.94,71 10.478,72 33.565,73 14.357,74 0.442,75 1.614,76 31.768,77 11.044,78 66.015,79 15.156,80 0.297,81 1.451,82 29.792,83 10.346,84 51.968,85 14.368,86 0.506,87 1.294,88 25.632,89 8.73,90 86.185,91 11.906,92 0.291,93 1.196,94 23.699,95 8.312,96 46.243,97 11.346,98 0.189,99 1.082,100 21.581,101 7.825,102 37.158,103 10.826,104 17,105 46,106 0.245,107 0.621,108 0.807,109 0.868,110 0.874,111 0.892,112 3.44,113 0.921,114 -4.24,115 -4.18,116 -3.95,118 44.4,119 2,120 3,124 1,133 2,134 1,135 1,140 4,141 4,142 1,143 2,154 3,168 13,171 2,172 10,175 1,177 2,180 13,186 9,191 2,194 9,197 2,198 12,201 1,203 2,206 7,210 8,215 1,218 8,221 2,222 5,225 2,227 2,229 9,234 3,237 1,239 2,242 8,247 6,252 2,255 6,258 1,259 7,264 2,267 5,270 1584,271 20.275,272 20.275,273 20.275,274 20.275,275 20.275,276 18.016,277 25.275,278 12.027,279 20.509,280 16.278,281 16.278,282 16.278,283 16.278,284 16.278,285 12.686,286 28.414,287 5.755,288 16.625,289 4.261,290 1.974,291 0.843,292 0.472,293 0.435,294 0.324,295 4.137,299 1,300 1,301 907,302 3.536,306 323.607,310 237.152,313 2.218,314 29.331,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 64,326 416,327 4.574,328 3.808,329 6.797,330 4.221,331 3.249,332 4.205,333 1.257,334 11.161,335 3.163,336 4.224,337 3.548,338 6.174,339 3.846,340 2.854,341 3.673,342 1.058,343 9.091,344 2.829,345 3.958,346 3.003,347 5.939,348 3.62,349 2.624,350 3.444,351 0.78,352 8.226,353 2.603,354 3.896,355 2.906,356 5.688,357 3.512,358 2.521,359 3.324,360 0.219,361 7.26,362 2.498,363 3.623,364 2.718,365 5.34,366 3.225,367 2.244,368 2.896,370 6.965,371 2.191,372 3.428,373 2.444,374 5.279,375 3.043,376 2.071,377 2.641,379 6.358,380 2.004,381 2.988,382 1.938,383 4.369,384 2.727,385 1.751,386 2.121,388 4.077,389 1.706,390 2.93,391 1.802,392 4.246,393 2.478,394 1.51,395 1.964,397 3.999,398 1.46,399 2.872,400 1.719,401 3.771,402 2.44,403 1.45,404 1.951,406 3.317,407 1.431,408 2.585,409 1.566,410 3.731,411 2.264,412 1.266,413 1.542,415 2.818,416 1.257,417 2.522,418 1.513,419 3.5,420 1.957,421 1,422 1.5,424 2.459,425 0.954,426 2.5,427 1.034,428 3.247,429 1.953,430 0.956,431 1.317,433 2.136,434 0.947,435 1.873,436 1,437 3.177,438 1.67,439 0.676,440 0.768,442 1.462,443 0.668,444 1.723,445 0.946,446 2.989,447 1.308,448 0.288,449 0.364,451 0.724,452 0.291,453 1.501,454 0.431,455 2.83,456 0.997,457 0.028,458 0.038,460 0.072,461 0.027,462 14.267,463 0.476,464 0.733,465 0.024,466 39.25,467 1.308,468 20,469 0.667,470 19.25,471 0.642,472 25.015,473 0.834,474 31.333,475 0.58,476 29.563,477 0.985,478 7.682,479 0.256,480 6.843,481 0.228,482 0.117,484 0.343,487 0.666,488 1.296,489 0.775,490 1.058,491 0.539,492 0.948,493 0.605,494 1.052,495 0.806,496 0.948,497 0.534,498 0.906,499 0.905,500 1.216,501 0.914,502 1.111,503 0.818,504 1.026,505 1.232,506 0.988,507 1.077,508 1.009,509 1.321,510 1.02,511 1.222,512 0.948,513 0.946,514 0.914,515 1.245,516 0.895,517 1.24,518 0.952,519 1.122,520 0.985,521 1.304,522 1.03,523 1.337,524 0.962,525 1.164,526 1.015,527 1.354,528 1.059,529 1.125,530 1.053,531 1.047,532 1.07,533 1.129,534 1.051,535 5.5,536 0.103,537 3.556,538 1.813,539 2.044,540 0.951,541 0.605,542 0.361,543 0.332,544 0.197,545 13555,546 33490,547 2.087,548 44.4,549 10,550 8,551 1,552 2,553 1,555 2,558 1.722,559 1.957,560 3.719,561 -0.382,563 1,567 80.686,568 1.494,569 3.781,570 4.912,571 5.282,572 5.32,573 5.431,574 3.248,575 4.64,576 4.873,577 3.911,578 1701.23,579 8.468,580 24742.2,582 1,584 1,585 310.764,586 1.4,587 4.839,588 0.167,589 0.004,590 0.077,591 0.037,592 0.05,593 0.026,594 0.018,595 0.013,596 0.013,597 0.008,598 0.413,599 0.17,600 1,601 0.551,602 157.473,603 -0.018,604 -0.154,605 0.05,606 -0.036,607 -0.026,608 0.006,609 0.165,610 0.041,611 0.092,612 0.043,613 0.075,614 0.053,615 -0.017,616 -0.188,617 0.021,618 -0.12,619 0.032,620 -0.055,621 -0.011,622 0.004,623 -0.071,624 -0.051,625 -0.058,626 -0.066,627 -0.085,628 0.007,629 0.073,630 0.055,631 -0.06,632 0.084,633 0.113,634 0.046,635 -0.108,636 -0.034,637 0.125,638 -0.09,639 -0.162,640 0.021,641 -0.161,642 -0.052,643 -0.15,644 -0.098,645 -0.084,646 -0.093,647 -0.051,648 -0.09,649 -0.049,650 -0.067,651 1.856,652 5.946,653 0.667,654 36.427,655 0.998,656 1.122,657 3.013,658 9.077,659 0.677,660 3.526,661 3.85,662 4.127,663 4.369,664 4.663,665 4.754,666 4.875,667 5.024,668 5.153,669 5.13,670 7.96,671 0.644,672 400.52,673 3.526,674 5.069,675 5.922,676 6.797,677 7.671,678 8.555,679 9.44,680 10.332,681 11.225,682 12.123,683 7.4,690 2,692 1,693 1,699 6,700 1,704 5,706 12,713 1,724 54,726 17,727 1,728 33,730 57,731 24,733 11,734 4,735 2,736 7,739 4,740 7,745 2,751 3,753 18,754 6,756 5,761 2,763 3,764 1,765 4,769 1,772 24,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 30,846 4,847 1,851 1,862 3.7,865 2,869 15.333,870 10.433,871 6.583,872 3.379,874 3.221,875 1.408,876 0.995,877 5.804,878 11.115,879 3.807,880 4.369,881 4.934,882 5.453,883 6.02,884 6.293,885 6.628,886 7.023,887 7.438,888 7.672,889 1,890 49,891 11.135,893 4.759,894 7.75,895 21.266,897 17.456,899 2.25,900 67.5,903 1,904 270.735,905 141.781,906 54.706,908 50.29,911 141.781,912 321.025,913 54.706,914 17.65,915 39.892,916 56.857,917 102.355,918 53.565,919 11.771,920 235.422,922 270.735,923 196.487,924 50.29,927 247.193,928 73.832,931 83.375,932 77.374,933 35.738,935 270.735,936 104.996,937 141.781,940 270.735,941 40.131,942 104.774,943 18.011,944 83.861,945 270.735,946 104.996,947 141.781,949 0.582,950 0.342,951 0.177,952 0.101,953 22,954 10,955 0.105,956 6,957 2,958 1.2,959 4.252,960 260.855,961 0.2,962 20,963 147.207,968 20.093,969 8.666,970 4.384,972 104.996,973 11.406,974 4.109,978 4.57,980 18.011,981 517.513,982 44,987 25.485,989 4.997,990 4.582,991 0.625,994 53.898,995 60.564,996 0.26,997 0.657,998 0.854,999 0.918,1000 0.924,1001 0.944,1002 5.05,1003 1.51,1004 5.905,1005 4.077,1006 4.533,1007 5.056,1008 2.023,1009 6.715,1010 4.494,1011 6.255,1012 1.45,1013 7.467,1014 3.999,1015 4.111,1016 4.808,1017 0.325,1018 7.606,1019 4.071,1020 7.56,1021 1.266,1022 9.13,1023 3.317,1024 6.125,1025 7.194,1026 2.145,1027 10.728,1028 6.046,1029 8.899,1030 1,1031 10.854,1032 2.818,1033 6.524,1034 7.748,1035 0.766,1036 12.443,1037 6.442,1038 10.27,1039 0.956,1040 12.615,1041 2.459,1042 8.005,1043 9.607,1044 2.343,1045 15.094,1046 7.887,1047 11.664,1048 0.676,1049 14.403,1050 2.136,1051 8.792,1052 10.551,1053 1.259,1054 17.17,1055 8.663,1056 13.075,1057 0.288,1058 16.209,1059 1.462,1060 10.062,1061 12.178,1062 2.593,1063 19.657,1064 9.9,1065 3.249,1066 0.028,1067 18.03,1068 0.724,1069 11.038,1070 13.33,1071 1.765,1072 21.905,1073 10.858,1074 2.854,1075 11.161,1076 19.862,1077 0.072,1078 12.226,1079 14.847,1080 2.884,1081 24.334,1082 12.015,1083 2.624,1084 9.091,1085 21.705,1086 4.205,1087 13.295,1088 16.115,1089 2.27,1090 26.664,1091 13.059,1092 2.521,1093 8.226,1094 23.555,1095 3.673,1096 14.455,1097 17.579,1098 3.21,1099 29.075,1100 14.189,1101 2.244,1102 7.26,1103 25.412,1104 3.444,1105 15.571,1106 18.915,1107 2.771,1108 31.444,1109 15.277,1110 2.071,1111 6.965,1112 27.276,1113 3.324,1114 16.725,1115 20.354,1116 3.563,1117 33.851,1118 16.401,1119 1.751,1120 6.358,1121 29.146,1122 2.896,1123 17.865,1124 21.728,1125 3.266,1126 36.24,1127 17.511,1128 12784,1129 20264,1130 22.076,1131 36.546,1132 50.398,1133 51.536,1134 50.517,1135 48.976,1136 48.976,1137 63.497,1138 6.628,1139 140.245,1140 48.055,1141 5.511,1142 5.808,1143 6.599,1144 5.294,1145 5.249,1146 7.205,1147 2.38,1148 18.705,1149 5.163,1150 14.38,1151 1.527,1152 1.562,1153 1.531,1154 1.484,1155 1.484,1156 1.924,1157 0.201,1158 4.25,1159 1.456,1160 4.053,1161 4.082,1162 4.021,1163 3.962,1164 7.431,1165 3.971,1166 3.902,1167 3.946,1168 3.826,1169 3.806,1170 7.425,1171 3.804,1172 3.808,1173 3.841,1174 3.753,1175 3.711,1176 4.9,1177 3.718,1178 3.63,1179 3.697,1180 3.504,1181 3.474,1182 4.858,1183 3.467,1184 3.408,1185 3.452,1186 3.321,1187 3.235,1188 4.551,1189 3.252,1190 3.256,1191 3.309,1192 3.163,1193 3.084,1194 4.22,1195 3.093,1196 3.165,1197 3.252,1198 3.01,1199 3.002,1200 4.106,1201 2.988,1202 3.066,1203 3.129,1204 2.882,1205 2.904,1206 3.895,1207 2.892,1208 0.139,1209 0.115,1210 0.206,1211 0.128,1212 0.098,1213 4.574,1214 0.127,1215 3.808,1216 0.038,1217 6.797,1218 0.338,1219 4.221,1220 0.096,1221 3.249,1222 4.205,1223 1.257,1224 11.161,1225 3.163,1226 1.992,1227 1.969,1228 2.074,1229 2.101,1230 1.324,1231 2.09,1232 1.88,1233 1.84,1234 2.037,1235 2.006,1236 1.223,1237 2.018,1238 1.782,1239 1.752,1240 1.899,1241 1.911,1242 1.014,1243 1.911,1244 1.621,1245 1.556,1246 1.836,1247 1.802,1248 0.962,1249 1.818,1250 1.345,1251 1.304,1252 1.566,1253 1.566,1254 0.689,1255 1.558,1256 1.229,1257 1.169,1258 1.544,1259 1.438,1260 0.631,1261 1.479,1262 1.19,1263 1.106,1264 1.488,1265 1.416,1266 0.604,1267 1.449,1268 1.049,1269 0.995,1270 1.259,1271 1.256,1272 0.324,1273 1.259,1274 4.205,1276 5.525,1278 7.05,1280 8.674,1282 10.356,1284 3.976,1290 3.365,1291 2.933,1295 1.453,1300 34.783,1301 80.686,1302 204.177,1303 265.254,1304 285.254,1305 287.254,1306 293.254,1307 56.39,1308 7.894,1309 76.36,1310 76.36,1311 24,1312 12.648,1313 4.17,1314 3.585,1315 47.49,1316 142,1317 154,1318 0.16,1319 214.381,1320 385.06,1321 514.85,1322 32601,1324 21.087,1325 0.703,1326 0.573,1327 21.087,1328 17.183,1329 14.525,1330 0.44,1331 0.307,1332 10.029,1333 14.1,1334 9.724,1335 8.119,1336 14.525,1337 10.132,1338 13.061,1339 0.284,1340 0.165,1341 13.061,1342 7.591,1343 11.242,1344 0.184,1345 0.088,1346 11.242,1347 5.386,1348 8.903,1349 0.114,1350 0.045,1351 8.903,1352 3.503,1353 7.584,1354 0.072,1355 0.024,1356 7.584,1357 2.49,1358 0.26,1359 90.204,1360 0.213,1361 29.025,1362 0.415,1363 158,1364 442.739,1365 170.394,1366 434.456,1367 596.69,1368 406,1369 186,1370 441.766,1371 199.145,1372 451.281,1373 659.42,1374 424,1375 7} {0 CHEMBL1204216,1 1.46,2 14.844,3 3.823,4 14.614,5 126.455,6 7.143,7 0.343,8 4.168,9 4.293,10 3.702,11 3.739,12 5.242,13 3.703,14 4.712,15 4.894,16 4.047,17 4.134,18 5.744,19 4.07,20 4.994,21 5.215,22 4.139,23 4.279,24 6.02,25 4.194,26 5.056,27 5.298,28 4.039,29 4.228,30 6.112,31 4.125,32 4.959,33 5.202,34 3.934,35 4.143,36 5.949,37 4.035,38 4.888,39 5.125,40 3.892,41 4.044,42 6.049,43 3.945,44 4.808,45 5.047,46 3.712,47 3.952,48 5.835,49 3.849,50 4.689,51 4.922,52 3.639,53 3.889,54 5.691,55 3.775,56 0.029,57 0.866,58 12.504,59 5.506,60 7.79,61 7.47,62 0.239,63 1.413,64 23.352,65 9.301,66 23.173,67 13.03,68 0.192,69 1.755,70 32.523,71 12.362,72 39.74,73 17.467,74 0.486,75 1.773,76 36.314,77 12.592,78 70.185,79 17.755,80 0.282,81 1.594,82 32.707,83 11.904,84 50.926,85 16.714,86 0.52,87 1.497,88 30.731,89 10.478,90 88.006,91 14.816,92 0.388,93 1.386,94 28.568,95 9.1,96 60.554,97 12.786,98 0.27,99 1.242,100 24.732,101 8.836,102 41.949,103 12.346,104 18,105 48,106 0.235,107 0.599,108 0.799,109 0.872,110 0.877,111 0.877,112 3.502,113 0.956,114 -4.65,115 -4.57,116 -4.3,118 43.3,119 2,120 4,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 15,171 2,172 10,175 1,177 2,180 15,186 9,191 2,194 12,197 2,198 11,201 1,203 2,206 11,210 8,215 1,218 9,221 2,222 10,225 2,227 2,229 9,234 3,239 2,242 7,247 6,250 1,252 3,255 9,259 6,264 2,267 7,270 1970,271 21.69,272 21.69,273 21.69,274 21.69,275 21.69,276 19.56,277 26.843,278 12.996,279 21.923,280 17.278,281 17.278,282 17.278,283 17.278,284 17.278,285 13.802,286 27.358,287 6.211,288 17.626,289 4.447,290 2.185,291 0.944,292 0.492,293 0.458,294 0.458,295 4.2,299 1,300 1,301 1030,302 4,306 357.02,310 261.962,313 2.363,314 30.246,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 68,326 475,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.922,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.63,354 3.896,355 2.908,356 5.763,357 3.512,358 2.522,359 3.242,360 0.219,361 7.575,362 2.498,363 3.608,364 2.718,365 5.34,366 3.294,367 2.321,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.994,382 1.956,383 4.258,384 2.786,385 1.803,386 2.121,388 4.05,389 1.771,390 2.943,391 1.842,392 4.15,393 2.516,394 1.549,395 1.976,397 3.445,398 1.495,399 2.734,400 1.606,401 3.825,402 2.353,403 1.364,404 1.732,406 3.409,407 1.343,408 2.672,409 1.538,410 3.779,411 2.255,412 1.269,413 1.656,415 3.007,416 1.25,417 2.5,418 1.311,419 3.569,420 2.21,421 1.221,422 1.5,424 2.933,425 1.205,426 2.478,427 1.251,428 3.532,429 1.957,430 1,431 1.441,433 2.136,434 0.955,435 2.393,436 1.243,437 3.247,438 1.924,439 0.923,440 1.172,442 1.991,443 0.919,444 2.108,445 1,446 3.165,447 1.789,448 0.768,449 1.033,451 1.916,452 0.777,453 1.689,454 0.642,455 2.967,456 1.257,457 0.273,458 0.311,460 0.609,461 0.267,462 15.267,463 0.477,464 0.733,465 0.023,466 40.25,467 1.258,468 20,469 0.625,470 20.25,471 0.633,472 28.559,473 0.892,474 33.933,475 0.566,476 30.571,477 0.955,478 7.541,479 0.236,480 7.984,481 0.249,482 0.109,484 0.321,487 0.667,488 1.311,489 0.814,490 1.09,491 0.543,492 0.986,493 0.602,494 1.102,495 0.864,496 1.017,497 0.53,498 0.976,499 0.853,500 1.162,501 0.881,502 1.065,503 0.768,504 0.988,505 1.195,506 0.918,507 1.015,508 0.941,509 1.279,510 0.953,511 1.133,512 1.022,513 0.958,514 1.003,515 1.217,516 0.969,517 1.122,518 1.003,519 1.024,520 0.993,521 1.163,522 0.997,523 1.741,524 0.933,525 1.243,526 0.919,527 1.698,528 0.998,529 1.258,530 1.017,531 1.141,532 1.061,533 1.289,534 1.083,535 5.5,536 0.132,537 3.556,538 1.75,539 1.933,540 1.104,541 0.606,542 0.401,543 0.28,544 0.289,545 16477,546 38764,547 2.082,548 46.7,549 13,550 9,551 1,552 2,553 1,555 2,558 1.738,559 1.959,560 3.815,561 -0.403,563 1,567 87.596,568 1.46,569 3.722,570 4.963,571 5.415,572 5.448,573 5.448,574 3.296,575 4.414,576 4.965,577 4.026,578 1997.13,579 8.652,580 31086.5,582 1,585 354.413,586 1.366,587 4.936,588 0.157,589 0.005,590 0.074,591 0.034,592 0.044,593 0.028,594 0.016,595 0.013,596 0.01,597 0.01,598 0.391,599 0.17,600 1,601 0.688,602 172.499,603 -0.009,604 -0.144,605 0.051,606 -0.033,607 -0.017,608 0.007,609 0.166,610 0.001,611 0.054,612 -0.004,613 0.081,614 0.006,615 0.016,616 -0.147,617 0.076,618 -0.066,619 0.062,620 0.001,621 0.014,622 0.069,623 -0.006,624 0.021,625 -0.032,626 0.008,627 -0.05,628 -0.065,629 0.038,630 -0.017,631 -0.06,632 0.016,633 0.176,634 -0.013,635 -0.007,636 -0.037,637 0.185,638 -0.044,639 -0.303,640 0.082,641 -0.212,642 0.012,643 -0.237,644 -0.069,645 -0.122,646 -0.02,647 -0.149,648 -0.088,649 -0.127,650 -0.117,651 1.845,652 6.074,653 0.625,654 42.508,655 0.994,656 1.123,657 3.425,658 11.73,659 0.668,660 3.584,661 3.892,662 4.159,663 4.394,664 4.682,665 4.787,666 4.92,667 5.063,668 5.204,669 5.193,670 8.6,671 0.631,672 428.58,673 3.584,674 5.118,675 5.964,676 6.832,677 7.7,678 8.579,679 9.46,680 10.347,681 11.236,682 12.13,683 6.7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 60,726 17,727 1,728 35,730 63,731 26,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 4,753 18,754 8,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 28,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 32,846 5,847 1,850 1,851 1,862 3.3,865 2,869 16.333,870 11.35,871 7.083,872 3.928,874 3.186,875 1.397,876 0.979,877 6.847,878 11.203,879 3.85,880 4.382,881 4.942,882 5.457,883 6.014,884 6.291,885 6.664,886 7.039,887 7.449,888 7.685,889 0.9,890 51,891 11.896,893 5.058,894 7.708,895 22.881,897 18.822,899 2.208,900 70.667,903 1,904 317.82,905 150.606,906 54.706,908 50.29,911 150.606,912 368.11,913 54.706,914 17.65,915 42.426,916 66.334,917 102.355,918 50.379,919 11.771,920 282.506,922 317.82,923 205.313,924 50.29,927 294.278,928 73.832,931 85.91,932 83.665,933 35.738,935 317.82,936 104.996,937 150.606,940 317.82,941 39.48,942 114.251,943 18.011,944 83.861,945 317.82,946 104.996,947 150.606,949 0.577,950 0.335,951 0.173,952 0.098,953 22,954 10,955 0.127,956 8,957 2,958 1.2,959 4.457,960 280.333,961 0.2,962 20,963 158,968 22.015,969 9.952,970 5.184,972 104.996,973 13.506,974 4.127,978 3.566,980 18.011,981 573.422,982 46,987 25.679,989 5.026,990 4.587,991 0.655,994 59.665,995 67.394,996 0.247,997 0.63,998 0.84,999 0.917,1000 0.922,1001 0.922,1002 5.088,1003 1.549,1004 5.938,1005 4.05,1006 4.575,1007 5.069,1008 2.023,1009 6.735,1010 4.538,1011 6.276,1012 1.364,1013 7.489,1014 3.445,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.568,1021 1.269,1022 9.145,1023 3.409,1024 6.151,1025 7.169,1026 2.145,1027 10.731,1028 6.074,1029 8.896,1030 1.221,1031 10.864,1032 3.007,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.442,1038 10.258,1039 1,1040 12.622,1041 2.933,1042 8.019,1043 9.552,1044 2.343,1045 15.089,1046 7.903,1047 11.644,1048 0.923,1049 14.407,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.659,1056 13.049,1057 0.768,1058 16.212,1059 1.991,1060 10.062,1061 12.092,1062 2.593,1063 19.646,1064 9.902,1065 3.24,1066 0.273,1067 18.032,1068 1.916,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.845,1074 2.839,1075 11.139,1076 19.863,1077 0.609,1078 12.214,1079 14.729,1080 2.884,1081 24.317,1082 12.002,1083 2.644,1084 9.033,1085 21.705,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.036,1092 2.522,1093 8.244,1094 23.554,1095 3.632,1096 14.432,1097 17.43,1098 3.21,1099 29.052,1100 14.163,1101 2.321,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.242,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.362,1119 1.803,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.465,1128 15596,1129 24115,1130 23.463,1131 40.069,1132 53.127,1133 54.339,1134 53.239,1135 51.834,1136 51.808,1137 66.13,1138 6.628,1139 146.004,1140 50.885,1141 5.503,1142 5.807,1143 6.617,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 15.168,1151 1.518,1152 1.553,1153 1.521,1154 1.481,1155 1.48,1156 1.889,1157 0.189,1158 4.172,1159 1.454,1160 4.053,1161 4.082,1162 4.018,1163 3.959,1164 7.431,1165 3.968,1166 3.903,1167 3.948,1168 3.827,1169 3.807,1170 7.425,1171 3.806,1172 3.816,1173 3.852,1174 3.756,1175 3.716,1176 4.901,1177 3.722,1178 3.676,1179 3.741,1180 3.542,1181 3.532,1182 4.862,1183 3.522,1184 3.531,1185 3.587,1186 3.406,1187 3.399,1188 4.552,1189 3.391,1190 3.377,1191 3.449,1192 3.239,1193 3.187,1194 4.243,1195 3.191,1196 3.19,1197 3.227,1198 3.119,1199 3.006,1200 4.157,1201 3.02,1202 3.156,1203 3.195,1204 3.027,1205 2.99,1206 3.984,1207 3.001,1208 0.13,1209 0.109,1210 0.194,1211 0.12,1212 0.093,1213 4.557,1214 0.118,1215 3.807,1216 0.036,1217 6.792,1218 0.318,1219 4.211,1220 0.09,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.359,1231 2.091,1232 1.883,1233 1.842,1234 2.048,1235 2.009,1236 1.268,1237 2.023,1238 1.792,1239 1.759,1240 1.926,1241 1.928,1242 1.085,1243 1.932,1244 1.673,1245 1.611,1246 1.883,1247 1.846,1248 1.021,1249 1.864,1250 1.53,1251 1.475,1252 1.754,1253 1.698,1254 0.874,1255 1.718,1256 1.353,1257 1.281,1258 1.622,1259 1.577,1260 0.796,1261 1.596,1262 1.129,1263 1.087,1264 1.417,1265 1.351,1266 0.474,1267 1.345,1268 1.096,1269 1.064,1270 1.329,1271 1.308,1272 0.469,1273 1.308,1274 4.263,1276 5.572,1278 7.084,1280 8.695,1282 10.365,1284 4.184,1290 4.593,1291 2.956,1294 0.32,1295 1.468,1300 37.837,1301 87.596,1302 223.343,1303 297.784,1304 324.904,1305 326.904,1306 326.904,1307 64.075,1308 8.017,1309 76.36,1310 76.36,1311 24,1312 12.658,1313 4.17,1314 3.585,1315 52.375,1316 163,1317 180,1318 0.152,1319 233.566,1320 419.66,1321 561.661,1322 38966,1324 22.501,1325 0.703,1326 0.58,1327 22.501,1328 18.545,1329 15.525,1330 0.444,1331 0.319,1332 11.055,1333 15.1,1334 10.743,1335 8.99,1336 15.525,1337 11.159,1338 13.806,1339 0.288,1340 0.175,1341 13.806,1342 8.422,1343 11.628,1344 0.185,1345 0.091,1346 11.628,1347 5.711,1348 9.271,1349 0.116,1350 0.047,1351 9.271,1352 3.797,1353 7.786,1354 0.073,1355 0.025,1356 7.786,1357 2.652,1358 0.249,1359 96.204,1360 0.206,1361 30.789,1362 0.39,1363 166,1364 448.739,1365 178.394,1366 440.61,1367 605.74,1368 412,1369 194,1370 448.766,1371 207.145,1372 457.526,1373 669.14,1374 431,1375 7} {0 CHEMBL1204218,1 1.513,2 12.379,3 2.454,4 6.023,5 112.652,6 7.578,7 0.375,8 4.025,9 4.142,10 3.612,11 3.605,12 5.156,13 3.583,14 4.546,15 4.715,16 3.974,17 3.997,18 5.651,19 3.955,20 4.809,21 5.004,22 4.072,23 4.141,24 5.927,25 4.082,26 4.882,27 5.103,28 3.967,29 4.081,30 6.028,31 4.003,32 4.775,33 5.003,34 3.853,35 3.977,36 5.859,37 3.897,38 4.673,39 4.89,40 3.823,41 3.863,42 5.956,43 3.798,44 4.589,45 4.806,46 3.653,47 3.77,48 5.774,49 3.709,50 4.415,51 4.602,52 3.571,53 3.725,54 5.54,55 3.645,56 0.01,57 0.746,58 9.686,59 4.46,60 7.276,61 5.798,62 0.205,63 1.213,64 18.335,65 7.458,66 21.628,67 10.08,68 0.132,69 1.497,70 25.271,71 9.905,72 34.241,73 13.387,74 0.424,75 1.527,76 29.43,77 10.328,78 66.715,79 13.904,80 0.27,81 1.359,82 26.564,83 9.636,84 50.942,85 12.987,86 0.426,87 1.237,88 23.811,89 8.292,90 77.106,91 11.252,92 0.419,93 1.129,94 22.394,95 6.979,96 65.662,97 9.057,98 0.13,99 0.971,100 17.11,101 6.833,102 32.765,103 8.955,104 18,105 45,106 0.251,107 0.633,108 0.808,109 0.865,110 0.872,111 0.872,112 3.408,113 0.906,114 -4.03,115 -3.98,116 -3.77,118 45.1,119 2,120 1,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 12,171 2,172 10,175 1,177 2,180 12,186 9,191 2,194 9,197 2,198 10,201 1,203 2,206 8,210 7,213 1,215 1,218 7,221 2,222 9,225 2,227 1,229 8,233 1,234 4,239 1,242 7,247 6,252 2,255 8,258 1,259 6,264 2,267 5,270 1375,271 19.568,272 19.568,273 19.568,274 19.568,275 19.568,276 17.438,277 25.011,278 11.496,279 19.802,280 15.778,281 15.778,282 15.778,283 15.778,284 15.778,285 12.302,286 26.379,287 5.463,288 16.124,289 4.16,290 1.86,291 0.806,292 0.461,293 0.422,294 0.422,295 4.105,299 1,300 1,301 780,302 3.606,306 297.096,310 219.037,313 2.048,314 29.498,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 62,326 359,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.834,340 2.839,341 3.632,342 1.058,343 9.033,344 2.821,345 3.927,346 3.003,347 5.939,348 3.644,349 2.647,350 3.444,351 0.78,352 8.245,353 2.632,354 3.891,355 2.909,356 5.763,357 3.505,358 2.515,359 3.241,360 0.219,361 7.575,362 2.49,363 3.608,364 2.719,365 5.339,366 3.29,367 2.317,368 2.847,370 6.963,371 2.245,372 3.488,373 2.561,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.991,382 1.948,383 4.247,384 2.593,385 1.632,386 2.121,388 3.959,389 1.565,390 2.897,391 1.694,392 4.148,393 2.4,394 1.423,395 1.922,397 3.428,398 1.384,399 2.731,400 1.539,401 3.822,402 2.255,403 1.27,404 1.731,406 3.148,407 1.25,408 2.5,409 1.365,410 3.65,411 2.213,412 1.225,413 1.5,415 2.945,416 1.208,417 2.482,418 1.311,419 3.534,420 1.957,421 1,422 1.446,424 2.136,425 0.954,426 2.393,427 1.251,428 3.247,429 1.889,430 0.889,431 1.179,433 1.988,434 0.883,435 2.17,436 1,437 3.222,438 1.786,439 0.764,440 1.051,442 1.904,443 0.774,444 1.686,445 0.633,446 2.965,447 1.109,448 0.116,449 0.158,451 0.304,452 0.114,453 1.129,454 0.359,455 2.657,456 0.845,457 -0.138,458 -0.163,460 -0.321,461 -0.135,462 13.767,463 0.475,464 0.733,465 0.025,466 38.75,467 1.336,468 20,469 0.69,470 18.75,471 0.647,472 23.188,473 0.8,474 30.033,475 0.589,476 29.652,477 1.022,478 7.541,479 0.26,480 6.484,481 0.224,482 0.121,484 0.356,487 0.667,488 1.288,489 0.753,490 1.04,491 0.549,492 0.927,493 0.611,494 1.051,495 0.802,496 0.942,497 0.548,498 0.901,499 0.904,500 1.204,501 0.902,502 1.098,503 0.818,504 1.013,505 1.231,506 0.962,507 1.052,508 0.98,509 1.342,510 0.99,511 1.191,512 0.989,513 0.972,514 0.988,515 1.28,516 0.959,517 1.051,518 1.019,519 0.959,520 0.999,521 1.065,522 0.972,523 1.885,524 0.772,525 1.239,526 0.773,527 1.876,528 0.884,529 1.165,530 1.204,531 1.123,532 1.205,533 1.265,534 1.175,535 5.5,536 0.132,537 3.556,538 1.75,539 1.853,540 1.104,541 0.687,542 0.424,543 0.235,544 0.261,545 11526,546 29001,547 2.09,548 43.1,549 7,550 9,551 1,552 2,553 1,555 2,558 1.717,559 1.955,560 3.584,561 -0.371,562 1,563 1,567 77.144,568 1.513,569 3.812,570 4.866,571 5.211,572 5.251,573 5.251,574 3.099,575 4.375,576 4.824,577 3.762,578 1527.55,579 8.39,580 20974.9,582 1,584 1,585 289.294,586 1.416,587 4.788,588 0.172,589 0.006,590 0.079,591 0.036,592 0.045,593 0.03,594 0.02,595 0.014,596 0.008,597 0.01,598 0.421,599 0.33,600 1,601 0.729,602 148.683,603 -0.023,604 -0.159,605 0.05,606 -0.038,607 -0.04,608 0.006,609 0.157,610 0.041,611 0.079,612 0.036,613 0.062,614 0.043,615 -0.023,616 -0.184,617 0.029,618 -0.114,619 0.024,620 -0.046,621 -0.013,622 0.026,623 -0.046,624 -0.02,625 -0.072,626 -0.035,627 -0.06,628 -0.029,629 0.032,630 -0.01,631 -0.083,632 0.019,633 0.224,634 -0.029,635 0.052,636 -0.043,637 0.266,638 -0.023,639 -0.312,640 0.251,641 -0.2,642 0.151,643 -0.218,644 0.024,645 -0.13,646 -0.219,647 -0.184,648 -0.209,649 -0.123,650 -0.208,651 1.89,652 6.021,653 0.69,654 32.043,655 1,656 1.121,657 2.802,658 7.85,659 0.682,660 3.497,661 3.829,662 4.111,663 4.357,664 4.654,665 4.771,666 4.913,667 5.063,668 5.209,669 5.22,670 7.219,671 0.652,672 386.49,673 3.497,674 5.043,675 5.9,676 6.779,677 7.656,678 8.543,679 9.43,680 10.324,681 11.217,682 12.116,683 7.8,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 51,726 17,727 1,728 32,730 54,731 23,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 1,753 18,754 5,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 22,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 29,846 2,847 1,850 1,851 1,862 3.9,865 2,869 14.833,870 9.85,871 6.333,872 3.178,874 3.263,875 1.414,876 0.992,877 5.307,878 11.148,879 3.784,880 4.344,881 4.92,882 5.445,883 6.007,884 6.293,885 6.675,886 7.058,887 7.474,888 7.731,889 1,890 48,891 10.759,893 4.63,894 7.782,895 20.431,897 16.822,899 2.282,900 66.167,903 1,904 247.193,905 143.003,906 54.706,908 50.29,911 143.003,912 297.483,913 54.706,914 17.65,915 34.823,916 66.334,917 102.355,918 50.379,919 11.771,920 211.88,922 247.193,923 197.709,924 50.29,927 223.651,928 73.832,931 78.306,932 83.665,933 35.738,935 247.193,936 104.996,937 143.003,940 247.193,941 31.877,942 114.251,943 18.011,944 83.861,945 247.193,946 104.996,947 143.003,949 0.585,950 0.343,951 0.176,952 0.1,953 22,954 10,955 0.093,956 5,957 2,958 1.2,959 4.094,960 254.765,961 0.2,962 20,963 138.881,968 19.136,969 8.043,970 3.998,972 104.996,973 13.111,974 4.069,978 3.357,980 18.011,981 495.192,982 43,987 25.555,989 4.953,990 4.566,991 0.551,994 51.014,995 57.149,996 0.267,997 0.672,998 0.858,999 0.919,1000 0.926,1001 0.926,1002 5.03,1003 1.423,1004 5.889,1005 3.959,1006 4.511,1007 5.03,1008 2.023,1009 6.706,1010 4.471,1011 6.235,1012 1.27,1013 7.455,1014 3.428,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.538,1021 1.225,1022 9.123,1023 3.148,1024 6.111,1025 7.155,1026 2.145,1027 10.725,1028 6.032,1029 8.875,1030 1,1031 10.849,1032 2.945,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.442,1038 10.243,1039 0.889,1040 12.613,1041 2.136,1042 7.999,1043 9.548,1044 2.343,1045 15.088,1046 7.88,1047 11.633,1048 0.764,1049 14.401,1050 1.988,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.659,1056 13.041,1057 0.116,1058 16.209,1059 1.904,1060 10.053,1061 12.091,1062 2.593,1063 19.646,1064 9.89,1065 3.24,1066 -0.138,1067 18.03,1068 0.304,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.845,1074 2.839,1075 11.139,1076 19.862,1077 -0.321,1078 12.21,1079 14.729,1080 2.884,1081 24.317,1082 11.996,1083 2.647,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.035,1092 2.515,1093 8.245,1094 23.553,1095 3.632,1096 14.43,1097 17.43,1098 3.21,1099 29.052,1100 14.16,1101 2.317,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.242,1110 2.086,1111 6.963,1112 27.272,1113 3.241,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.361,1119 1.632,1120 6.342,1121 29.14,1122 2.847,1123 17.827,1124 21.528,1125 3.266,1126 36.21,1127 17.465,1128 10930,1129 17508,1130 21.383,1131 34.784,1132 49.411,1133 50.426,1134 49.462,1135 47.94,1136 47.926,1137 62.244,1138 6.628,1139 138.221,1140 47.004,1141 5.467,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 13.997,1151 1.544,1152 1.576,1153 1.546,1154 1.498,1155 1.498,1156 1.945,1157 0.207,1158 4.319,1159 1.469,1160 4.052,1161 4.081,1162 4.018,1163 3.959,1164 7.431,1165 3.967,1166 3.895,1167 3.938,1168 3.825,1169 3.796,1170 7.425,1171 3.797,1172 3.805,1173 3.839,1174 3.746,1175 3.709,1176 4.901,1177 3.714,1178 3.567,1179 3.626,1180 3.469,1181 3.41,1182 4.861,1183 3.408,1184 3.443,1185 3.514,1186 3.297,1187 3.271,1188 4.552,1189 3.271,1190 3.196,1191 3.23,1192 3.12,1193 3.014,1194 4.22,1195 3.028,1196 3.162,1197 3.195,1198 3.069,1199 2.991,1200 4.108,1201 3.01,1202 2.875,1203 3.009,1204 2.765,1205 2.702,1206 3.941,1207 2.705,1208 0.142,1209 0.119,1210 0.212,1211 0.132,1212 0.101,1213 4.557,1214 0.13,1215 3.807,1216 0.039,1217 6.792,1218 0.348,1219 4.211,1220 0.098,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.268,1231 2.091,1232 1.869,1233 1.831,1234 2.006,1235 1.999,1236 1.195,1237 2.004,1238 1.783,1239 1.751,1240 1.909,1241 1.91,1242 1.024,1243 1.915,1244 1.541,1245 1.485,1246 1.761,1247 1.738,1248 0.875,1249 1.743,1250 1.431,1251 1.361,1252 1.674,1253 1.63,1254 0.786,1255 1.653,1256 1.125,1257 1.09,1258 1.417,1259 1.347,1260 0.469,1261 1.325,1262 1.095,1263 1.064,1264 1.282,1265 1.304,1266 0.33,1267 1.308,1268 0.934,1269 0.804,1270 1.251,1271 1.239,1272 0.289,1273 1.288,1274 4.174,1276 5.501,1278 7.033,1280 8.66,1282 10.341,1284 4.169,1290 1.183,1291 2.89,1294 0.316,1295 1.447,1300 33.256,1301 77.144,1302 194.411,1303 248.174,1304 265.784,1305 267.784,1306 267.784,1307 54.16,1308 7.885,1309 76.36,1310 76.36,1311 24,1312 12.64,1313 4.17,1314 3.585,1315 44.92,1316 125,1317 134,1318 0.175,1319 204.789,1320 367.76,1321 491.445,1322 30598,1324 20.38,1325 0.703,1326 0.566,1327 20.38,1328 16.423,1329 14.025,1330 0.438,1331 0.302,1332 9.555,1333 13.6,1334 9.273,1335 7.741,1336 14.025,1337 9.659,1338 12.745,1339 0.283,1340 0.164,1341 12.745,1342 7.361,1343 10.878,1344 0.181,1345 0.083,1346 10.878,1347 4.983,1348 8.746,1349 0.114,1350 0.043,1351 8.746,1352 3.284,1353 7.378,1354 0.071,1355 0.022,1356 7.378,1357 2.287,1358 0.279,1359 87.204,1360 0.216,1361 27.844,1362 0.469,1363 154,1364 436.739,1365 166.394,1366 428.125,1367 588.46,1368 400,1369 182,1370 436.766,1371 195.145,1372 445.043,1373 651.9,1374 419,1375 5.398} {0 CHEMBL1204223,1 1.531,2 13.267,3 2.084,4 4.344,5 116.891,6 7.337,7 0.333,8 4.099,9 4.226,10 3.658,11 3.632,12 5.191,13 3.612,14 4.642,15 4.83,16 4.013,17 4.033,18 5.699,19 3.988,20 4.897,21 5.115,22 4.065,23 4.171,24 5.947,25 4.097,26 4.965,27 5.202,28 3.994,29 4.132,30 6.058,31 4.045,32 4.867,33 5.106,34 3.886,35 4.044,36 5.895,37 3.952,38 4.779,39 5.005,40 3.843,41 3.931,42 5.997,43 3.85,44 4.701,45 4.938,46 3.655,47 3.823,48 5.786,49 3.74,50 4.535,51 4.754,52 3.592,53 3.763,54 5.592,55 3.672,56 0.009,57 0.841,58 11.244,59 4.734,60 7.278,61 6.475,62 0.274,63 1.352,64 21.537,65 7.904,66 23.241,67 11.192,68 0.181,69 1.599,70 29.189,71 10.665,72 37.125,73 15.134,74 0.473,75 1.603,76 32.983,77 10.973,78 68.148,79 15.524,80 0.303,81 1.446,82 29.755,83 10.383,84 50.392,85 14.596,86 0.478,87 1.334,88 27.192,89 8.945,90 84.679,91 12.678,92 0.481,93 1.23,94 25.759,95 7.508,96 62.427,97 10.63,98 0.17,99 1.065,100 20.612,101 7.44,102 33.516,103 10.38,104 18,105 46,106 0.251,107 0.638,108 0.816,109 0.86,110 0.872,111 0.872,112 3.44,113 0.93,114 -4.16,115 -4.1,116 -3.88,118 41.8,119 2,120 2,121 1,124 2,133 2,134 1,135 1,140 3,141 2,142 1,143 1,149 1,154 3,156 1,168 10,171 3,172 9,175 1,177 2,180 10,186 8,191 2,194 8,197 2,198 11,201 1,203 1,206 8,210 8,213 1,218 7,221 2,222 8,225 2,227 1,229 7,233 1,234 3,237 1,239 1,242 5,247 5,252 2,255 6,258 2,259 6,264 2,267 4,270 1562,271 20.275,272 20.275,273 20.275,274 20.275,275 20.275,276 18.275,277 27.948,278 11.996,279 20.629,280 16.278,281 16.278,282 16.278,283 16.278,284 16.278,285 12.969,286 28.387,287 5.711,288 16.818,289 4.25,290 1.889,291 0.805,292 0.537,293 0.464,294 0.464,295 4.136,299 1,300 1,301 865,302 3.873,305 92.168,306 214.415,310 236.261,313 2.218,314 29.553,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 64.5,326 398,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.923,346 3.003,347 5.939,348 3.641,349 2.644,350 3.479,351 0.78,352 8.244,353 2.63,354 3.919,355 2.908,356 5.763,357 3.458,358 2.542,359 3.242,360 0.219,361 7.575,362 2.328,363 3.608,364 2.646,365 5.352,366 3.293,367 2.32,368 2.847,370 6.997,371 2.247,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.98,382 1.953,383 4.257,384 2.717,385 1.745,386 1.985,388 4.036,389 1.694,390 2.769,391 1.794,392 4.15,393 2.4,394 1.424,395 1.805,397 3.43,398 1.384,399 2.73,400 1.538,401 3.823,402 2.255,403 1.27,404 1.731,406 3.218,407 1.25,408 2.506,409 1.398,410 3.706,411 2.216,412 1.231,413 1.477,415 2.945,416 1.21,417 2.457,418 1.311,419 3.535,420 2.1,421 1.137,422 1.415,424 2.5,425 1.087,426 2.392,427 1.251,428 3.369,429 1.792,430 0.774,431 1.164,433 1.935,434 0.782,435 2.118,436 0.937,437 3.017,438 1.584,439 0.618,440 0.927,442 1.372,443 0.589,444 1.821,445 0.629,446 3,447 1.552,448 0.606,449 0.699,451 1.31,452 0.576,453 1.676,454 0.618,455 2.846,456 1.102,457 0.107,458 0.145,460 0.278,461 0.105,462 14.167,463 0.472,464 0.733,465 0.024,466 38,467 1.267,468 18,469 0.6,470 20,471 0.667,472 25.631,473 0.854,474 32.033,475 0.582,476 28.981,477 0.966,478 7.25,479 0.242,480 7.275,481 0.242,482 0.118,484 0.339,487 0.709,488 1.465,489 0.782,490 1.144,491 0.54,492 0.996,493 0.69,494 1.038,495 0.85,496 0.941,497 0.533,498 0.913,499 0.887,500 1.144,501 0.901,502 1.077,503 0.79,504 1.001,505 1.18,506 0.901,507 1.011,508 0.938,509 1.303,510 0.949,511 1.122,512 0.957,513 0.959,514 0.988,515 1.249,516 0.96,517 1.103,518 1.065,519 1.027,520 1.05,521 1.199,522 1.036,523 1.704,524 0.823,525 1.263,526 0.846,527 1.759,528 0.964,529 1.12,530 1.113,531 1.065,532 1.14,533 1.166,534 1.104,535 5.5,536 0.094,537 3.556,538 1.785,539 1.907,540 1.094,541 0.56,542 0.43,543 0.314,544 0.244,545 13300,546 32845,547 2.087,548 45.5,549 7,550 9,551 2,552 2,553 1,555 4,558 1.723,559 1.957,560 3.669,561 -0.349,563 1,567 84.227,568 1.531,569 3.892,570 4.977,571 5.245,572 5.318,573 5.318,574 3.14,575 4.148,576 4.871,577 3.885,578 1689.76,579 8.475,580 24415.1,582 1,584 1,585 317.975,586 1.4,587 4.839,588 0.167,589 0.004,590 0.077,591 0.038,592 0.045,593 0.029,594 0.016,595 0.015,596 0.011,597 0.009,598 0.411,599 0.33,600 1,601 0.715,602 157.003,603 -0.021,604 -0.263,605 0.06,606 -0.088,607 -0.022,608 -0.018,609 0.135,610 0.095,611 0.063,612 0.055,613 0.075,614 0.049,615 -0.024,616 -0.127,617 0.046,618 -0.069,619 0.045,620 -0.009,621 -0.015,622 0.073,623 -0.008,624 0.033,625 -0.047,626 0.018,627 -0.055,628 -0.006,629 0.033,630 0.004,631 -0.076,632 0.028,633 0.154,634 -0.085,635 -0.02,636 -0.084,637 0.184,638 -0.08,639 -0.263,640 0.188,641 -0.229,642 0.071,643 -0.249,644 -0.049,645 -0.105,646 -0.126,647 -0.099,648 -0.136,649 -0.06,650 -0.118,651 1.859,652 6.033,653 0.633,654 36.88,655 1,656 1.128,657 2.927,658 8.568,659 0.665,660 3.526,661 3.85,662 4.127,663 4.369,664 4.615,665 4.762,666 4.898,667 5.05,668 5.193,669 5.182,670 7.823,671 0.633,672 403.53,673 3.526,674 5.069,675 5.922,676 6.797,677 7.671,678 8.555,679 9.44,680 10.331,681 11.223,682 12.12,683 9.1,690 2,691 1,692 1,693 1,699 6,700 1,704 3,705 1,706 11,713 1,724 55,726 16,727 1,728 33,730 58,731 23,733 9,734 3,735 3,736 7,739 4,740 7,745 2,751 2,753 16,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 25,773 6,774 1,775 7,778 1,779 5,781 1,784 0.5,785 2,801 1,802 3,806 2,816 1,822 2,823 1,832 2,836 2,840 30,846 4,847 1,850 1,851 1,862 3.6,865 2,869 15.333,870 10.467,871 6.583,872 3.508,874 2.987,875 1.379,876 0.984,877 5.959,878 10.876,879 3.795,880 4.341,881 4.91,882 5.431,883 5.893,884 6.26,885 6.644,886 7.029,887 7.444,888 7.684,889 0.889,890 47,891 11.141,893 4.766,894 7.75,895 21.29,897 17.505,899 2.25,900 67.5,904 282.506,905 134.124,906 56.605,908 50.29,911 134.124,912 332.796,913 56.605,914 17.65,915 39.463,916 56.429,917 110.973,918 40.046,919 23.542,920 235.422,922 282.506,923 190.729,924 50.29,927 235.422,928 97.374,931 84.417,932 70.574,933 35.738,935 282.506,936 106.895,937 134.124,940 282.506,941 33.331,942 105.816,943 18.011,944 83.861,945 282.506,946 106.895,947 134.124,949 0.582,950 0.34,951 0.176,952 0.093,953 22,954 10,955 0.121,956 7,957 2,958 1.211,959 4.247,960 261.586,961 0.211,962 19,963 145.207,968 20.305,969 8.805,970 4.469,972 104.996,973 11.251,974 4.013,978 2.321,979 2.013,980 18.011,981 523.525,982 43.5,987 25.57,989 4.995,990 4.574,991 0.622,994 55,995 62.062,996 0.265,997 0.673,998 0.861,999 0.907,1000 0.92,1001 0.92,1002 5.042,1003 1.424,1004 5.905,1005 4.036,1006 4.533,1007 5.027,1008 2.023,1009 6.715,1010 4.474,1011 6.239,1012 1.27,1013 7.467,1014 3.43,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.042,1020 7.538,1021 1.231,1022 9.13,1023 3.218,1024 6.125,1025 7.141,1026 2.145,1027 10.727,1028 6.011,1029 8.874,1030 1.137,1031 10.854,1032 2.945,1033 6.538,1034 7.702,1035 0.766,1036 12.456,1037 6.417,1038 10.243,1039 0.774,1040 12.616,1041 2.5,1042 8.005,1043 9.531,1044 2.343,1045 15.089,1046 7.845,1047 11.634,1048 0.618,1049 14.404,1050 1.935,1051 8.8,1052 10.488,1053 1.259,1054 17.172,1055 8.63,1056 13.043,1057 0.606,1058 16.211,1059 1.372,1060 10.057,1061 12.078,1062 2.593,1063 19.646,1064 9.855,1065 3.24,1066 0.107,1067 18.032,1068 1.31,1069 11.035,1070 13.24,1071 1.765,1072 21.895,1073 10.816,1074 2.839,1075 11.139,1076 19.864,1077 0.278,1078 12.214,1079 14.722,1080 2.884,1081 24.317,1082 11.965,1083 2.644,1084 9.033,1085 21.705,1086 4.147,1087 13.28,1088 15.993,1089 2.27,1090 26.646,1091 13.011,1092 2.542,1093 8.244,1094 23.554,1095 3.632,1096 14.434,1097 17.428,1098 3.21,1099 29.052,1100 14.136,1101 2.32,1102 7.575,1103 25.411,1104 3.479,1105 15.545,1106 18.76,1107 2.771,1108 31.42,1109 15.222,1110 2.086,1111 6.997,1112 27.273,1113 3.242,1114 16.694,1115 20.176,1116 3.563,1117 33.823,1118 16.342,1119 1.745,1120 6.342,1121 29.141,1122 2.847,1123 17.829,1124 21.541,1125 3.266,1126 36.21,1127 17.45,1128 12578,1129 19942,1130 22.076,1131 36.552,1132 50.739,1133 51.464,1134 50.338,1135 49.168,1136 49.164,1137 62.793,1138 6.628,1139 140.708,1140 47.769,1141 5.497,1142 5.807,1143 6.572,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 14.413,1151 1.538,1152 1.56,1153 1.525,1154 1.49,1155 1.49,1156 1.903,1157 0.201,1158 4.264,1159 1.448,1160 4.053,1161 4.084,1162 4.018,1163 3.958,1164 7.431,1165 3.967,1166 3.932,1167 3.999,1168 3.864,1169 3.739,1170 7.425,1171 3.757,1172 3.814,1173 3.85,1174 3.755,1175 3.705,1176 4.955,1177 3.716,1178 3.635,1179 3.704,1180 3.514,1181 3.461,1182 4.865,1183 3.462,1184 3.511,1185 3.569,1186 3.371,1187 3.387,1188 4.552,1189 3.374,1190 3.301,1191 3.362,1192 3.184,1193 3.092,1194 4.235,1195 3.112,1196 3.181,1197 3.206,1198 3.119,1199 2.993,1200 4.143,1201 3.016,1202 3.036,1203 3.108,1204 2.882,1205 2.857,1206 3.953,1207 2.85,1208 0.138,1209 0.115,1210 0.206,1211 0.128,1212 0.098,1213 4.557,1214 0.126,1215 3.807,1216 0.038,1217 6.792,1218 0.338,1219 4.211,1220 0.095,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.302,1231 2.09,1232 1.798,1233 1.762,1234 1.98,1235 1.961,1236 1.268,1237 1.97,1238 1.73,1239 1.666,1240 1.905,1241 1.899,1242 1.028,1243 1.906,1244 1.537,1245 1.481,1246 1.757,1247 1.744,1248 0.897,1249 1.743,1250 1.449,1251 1.378,1252 1.665,1253 1.65,1254 0.85,1255 1.67,1256 1.297,1257 1.229,1258 1.486,1259 1.526,1260 0.519,1261 1.517,1262 1.163,1263 1.115,1264 1.417,1265 1.416,1266 0.469,1267 1.399,1268 1.098,1269 1.068,1270 1.345,1271 1.315,1272 0.35,1273 1.308,1274 4.205,1276 5.525,1277 2.398,1278 7.04,1279 4.443,1280 8.652,1281 6.26,1282 10.325,1284 4.177,1290 3.26,1291 2.925,1294 0.32,1295 1.459,1300 34.805,1301 84.227,1302 214.087,1303 273.71,1304 288.465,1305 292.465,1306 292.465,1307 56.919,1308 7.889,1309 81.29,1310 81.29,1311 23,1312 12.645,1313 4.087,1314 3.524,1315 47.396,1316 140,1317 146,1318 0.164,1319 214.511,1320 381.4,1321 515.166,1322 31634,1324 21.087,1325 0.703,1326 0.574,1327 21.087,1328 17.207,1329 14.525,1330 0.44,1331 0.31,1332 10.096,1333 13.997,1334 9.824,1335 8.204,1336 14.525,1337 10.228,1338 13.099,1339 0.285,1340 0.169,1341 13.099,1342 7.758,1343 11.128,1344 0.182,1345 0.086,1346 11.128,1347 5.248,1348 8.917,1349 0.114,1350 0.044,1351 8.917,1352 3.458,1353 7.049,1354 0.07,1355 0.023,1356 7.049,1357 2.331,1358 0.264,1359 90.816,1360 0.213,1361 28.955,1362 0.429,1363 158,1364 448.384,1365 172.531,1366 436.53,1367 599.69,1368 408,1369 186,1370 446.583,1371 201.671,1372 453.11,1373 663.56,1374 426,1375 6.699} {0 CHEMBL1204224,1 1.477,2 14,3 3.367,4 11.334,5 121.854,6 7.273,7 0.353,8 4.123,9 4.245,10 3.673,11 3.696,12 5.214,13 3.664,14 4.659,15 4.838,16 4.023,17 4.09,18 5.715,19 4.033,20 4.936,21 5.15,22 4.115,23 4.239,24 5.987,25 4.161,26 4.999,27 5.231,28 4.015,29 4.192,30 6.08,31 4.093,32 4.919,33 5.161,34 3.907,35 4.099,36 5.925,37 3.997,38 4.822,39 5.05,40 3.866,41 3.987,42 6.02,43 3.896,44 4.748,45 4.986,46 3.677,47 3.883,48 5.806,49 3.793,50 4.595,51 4.821,52 3.623,53 3.823,54 5.643,55 3.725,56 0.023,57 0.827,58 11.578,59 5.158,60 7.157,61 6.918,62 0.227,63 1.347,64 21.715,65 8.692,66 22.291,67 12.063,68 0.181,69 1.668,70 30.227,71 11.569,72 37.299,73 16.147,74 0.443,75 1.684,76 33.819,77 12.079,78 66.554,79 16.744,80 0.276,81 1.534,82 31.393,83 11.39,84 50.963,85 15.879,86 0.487,87 1.414,88 28.438,89 9.776,90 85.553,91 13.64,92 0.402,93 1.316,94 26.918,95 8.236,96 60.646,97 11.439,98 0.226,99 1.144,100 22.142,101 8.053,102 36.46,103 11.123,104 18,105 47,106 0.24,107 0.613,108 0.803,109 0.853,110 0.853,111 0.853,112 3.471,113 0.941,114 -4.45,115 -4.38,116 -4.13,118 43.9,119 2,120 3,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 14,171 2,172 10,175 1,177 2,180 15,186 8,191 2,194 11,197 2,198 11,201 1,203 2,206 10,210 8,215 1,218 7,221 2,222 10,225 2,227 3,229 8,234 3,239 1,242 7,247 7,250 1,252 2,255 10,259 5,264 2,267 7,270 1746,271 20.982,272 20.982,273 20.982,274 20.982,275 20.982,276 18.852,277 26.843,278 12.496,279 21.224,280 16.778,281 16.778,282 16.778,283 16.778,284 16.778,285 13.302,286 27.358,287 5.961,288 17.132,289 4.356,290 2.06,291 0.897,292 0.588,293 0.588,294 0.588,295 4.169,299 1,300 1,301 942,302 3.873,306 336.958,310 247.429,313 2.258,314 29.772,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66,326 434,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.923,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.631,354 3.896,355 2.908,356 5.763,357 3.516,358 2.521,359 3.242,360 0.219,361 7.575,362 2.507,363 3.608,364 2.718,365 5.34,366 3.293,367 2.32,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.993,382 1.953,383 4.257,384 2.727,385 1.753,386 2.121,388 4.036,389 1.705,390 2.934,391 1.803,392 4.15,393 2.466,394 1.513,395 1.966,397 3.43,398 1.439,399 2.733,400 1.566,401 3.823,402 2.278,403 1.289,404 1.731,406 3.318,407 1.268,408 2.579,409 1.538,410 3.734,411 2.252,412 1.268,413 1.55,415 2.956,416 1.246,417 2.5,418 1.311,419 3.538,420 2.196,421 1.206,422 1.5,424 2.808,425 1.19,426 2.472,427 1.251,428 3.496,429 1.984,430 1,431 1.433,433 2.136,434 0.983,435 2.392,436 1.034,437 3.247,438 1.794,439 0.778,440 1.165,442 1.936,443 0.784,444 1.872,445 1,446 3.049,447 1.665,448 0.67,449 0.766,451 1.458,452 0.663,453 1.68,454 0.63,455 2.902,456 1.107,457 0.113,458 0.153,460 0.294,461 0.111,462 14.767,463 0.476,464 0.733,465 0.024,466 39.75,467 1.282,468 20,469 0.645,470 19.75,471 0.637,472 26.755,473 0.863,474 32.633,475 0.573,476 30.269,477 0.976,478 7.541,479 0.243,480 7.483,481 0.241,482 0.113,484 0.332,487 0.667,488 1.304,489 0.795,490 1.074,491 0.544,492 0.967,493 0.604,494 1.086,495 0.845,496 0.994,497 0.533,498 0.953,499 0.877,500 1.139,501 0.891,502 1.056,503 0.786,504 0.984,505 1.153,506 0.958,507 1.026,508 0.994,509 1.281,510 0.996,511 1.132,512 1.005,513 0.946,514 0.986,515 1.217,516 0.952,517 1.116,518 1.06,519 1.029,520 1.034,521 1.181,522 1.026,523 1.839,524 0.885,525 1.264,526 0.858,527 1.742,528 0.956,529 1.168,530 0.986,531 1.082,532 1.047,533 1.151,534 1.05,535 5.5,536 0.103,537 3.556,538 1.75,539 1.933,540 1.104,541 0.565,542 0.432,543 0.329,544 0.248,545 14692,546 35471,547 2.084,548 45.6,549 11,550 9,551 1,552 2,553 1,555 2,558 1.731,559 1.958,560 3.739,561 -0.393,563 1,567 84.167,568 1.477,569 3.773,570 4.936,571 5.245,572 5.245,573 5.245,574 3.26,575 4.632,576 4.92,577 3.943,578 1833.72,579 8.567,580 27397.2,582 1,585 332.475,586 1.383,587 4.888,588 0.162,589 0.004,590 0.076,591 0.035,592 0.045,593 0.028,594 0.016,595 0.014,596 0.011,597 0.009,598 0.4,599 0.17,600 1,601 0.701,602 164.485,603 -0.013,604 -0.149,605 0.051,606 -0.035,607 -0.024,608 0.006,609 0.164,610 0.013,611 0.062,612 0.008,613 0.078,614 0.017,615 -0.004,616 -0.122,617 0.059,618 -0.059,619 0.048,621 0.023,622 0.021,623 -0.025,624 -0.021,625 -0.039,626 -0.028,627 -0.053,628 -0.055,629 0.053,630 -0.001,631 -0.065,632 0.035,633 0.186,634 -0.071,635 -0.015,636 -0.076,637 0.187,638 -0.075,639 -0.348,640 0.141,641 -0.223,642 0.058,643 -0.255,644 -0.041,645 -0.086,646 0.014,647 -0.099,648 -0.072,649 -0.056,650 -0.082,651 1.853,652 6.058,653 0.645,654 39.02,655 0.996,656 1.122,657 3.221,658 10.372,659 0.672,660 3.555,661 3.871,662 4.143,663 4.382,664 4.673,665 4.779,666 4.913,667 5.063,668 5.204,669 5.193,670 8.135,671 0.637,672 414.55,673 3.555,674 5.094,675 5.943,676 6.815,677 7.686,678 8.567,679 9.45,680 10.339,681 11.229,682 12.125,683 7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 57,726 17,727 1,728 34,730 60,731 25,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 3,753 18,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 31,846 4,847 1,850 1,851 1,862 3.5,865 2,869 15.833,870 10.85,871 6.833,872 3.678,874 3.21,875 1.403,876 0.983,877 6.317,878 11.185,879 3.829,880 4.369,881 4.934,882 5.453,883 6.012,884 6.289,885 6.663,886 7.042,887 7.452,888 7.691,889 1,890 50,891 11.516,893 4.914,894 7.731,895 22.064,897 18.156,899 2.231,900 69.167,903 1,904 294.278,905 148.072,906 54.706,908 50.29,911 148.072,912 344.567,913 54.706,914 17.65,915 39.892,916 66.334,917 102.355,918 50.379,919 11.771,920 258.964,922 294.278,923 202.778,924 50.29,927 270.735,928 73.832,931 83.375,932 83.665,933 35.738,935 294.278,936 104.996,937 148.072,940 294.278,941 36.946,942 114.251,943 18.011,944 83.861,945 294.278,946 104.996,947 148.072,949 0.58,950 0.337,951 0.174,952 0.099,953 22,954 10,955 0.117,956 7,957 2,958 1.2,959 4.337,960 271.764,961 0.2,962 20,963 147.58,968 21.053,969 9.302,970 4.77,972 104.996,973 13.393,974 4.017,978 3.57,980 18.011,981 547.345,982 45,987 25.643,989 5.01,990 4.582,991 0.636,994 56.781,995 63.979,996 0.253,997 0.647,998 0.846,999 0.899,1000 0.899,1001 0.899,1002 5.069,1003 1.513,1004 5.922,1005 4.036,1006 4.554,1007 5.056,1008 2.023,1009 6.725,1010 4.516,1011 6.262,1012 1.289,1013 7.478,1014 3.43,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.558,1021 1.268,1022 9.138,1023 3.318,1024 6.138,1025 7.164,1026 2.145,1027 10.729,1028 6.061,1029 8.889,1030 1.206,1031 10.859,1032 2.956,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.444,1038 10.253,1039 1,1040 12.619,1041 2.808,1042 8.012,1043 9.55,1044 2.343,1045 15.089,1046 7.897,1047 11.64,1048 0.778,1049 14.405,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.661,1056 13.046,1057 0.67,1058 16.211,1059 1.936,1060 10.059,1061 12.091,1062 2.593,1063 19.646,1064 9.9,1065 3.24,1066 0.113,1067 18.031,1068 1.458,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.847,1074 2.839,1075 11.139,1076 19.863,1077 0.294,1078 12.212,1079 14.729,1080 2.884,1081 24.317,1082 12.002,1083 2.644,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.038,1092 2.521,1093 8.244,1094 23.554,1095 3.632,1096 14.431,1097 17.43,1098 3.21,1099 29.052,1100 14.164,1101 2.32,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.244,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.363,1119 1.753,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.466,1128 13912,1129 21796,1130 22.77,1131 38.307,1132 51.942,1133 52.931,1134 51.993,1135 50.501,1136 50.48,1137 64.8,1138 6.628,1139 143.338,1140 49.555,1141 5.494,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 14.78,1151 1.528,1152 1.557,1153 1.529,1154 1.485,1155 1.485,1156 1.906,1157 0.195,1158 4.216,1159 1.457,1160 4.052,1161 4.082,1162 4.018,1163 3.959,1164 7.431,1165 3.968,1166 3.903,1167 3.946,1168 3.827,1169 3.809,1170 7.425,1171 3.807,1172 3.813,1173 3.848,1174 3.754,1175 3.715,1176 4.903,1177 3.72,1178 3.639,1179 3.707,1180 3.517,1181 3.476,1182 4.862,1183 3.472,1184 3.515,1185 3.572,1186 3.377,1187 3.39,1188 4.552,1189 3.378,1190 3.313,1191 3.377,1192 3.196,1193 3.103,1194 4.238,1195 3.122,1196 3.182,1197 3.207,1198 3.119,1199 2.994,1200 4.151,1201 3.016,1202 3.064,1203 3.129,1204 2.921,1205 2.892,1206 3.969,1207 2.888,1208 0.134,1209 0.112,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 3.807,1216 0.037,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.326,1231 2.091,1232 1.883,1233 1.844,1234 2.04,1235 2.007,1236 1.268,1237 2.02,1238 1.79,1239 1.758,1240 1.917,1241 1.922,1242 1.036,1243 1.926,1244 1.622,1245 1.557,1246 1.844,1247 1.816,1248 0.994,1249 1.83,1250 1.524,1251 1.468,1252 1.749,1253 1.683,1254 0.869,1255 1.708,1256 1.251,1257 1.191,1258 1.503,1259 1.505,1260 0.661,1261 1.506,1262 1.1,1263 1.071,1264 1.417,1265 1.32,1266 0.469,1267 1.308,1268 1.042,1269 0.981,1270 1.259,1271 1.25,1272 0.308,1273 1.296,1274 4.234,1276 5.549,1278 7.067,1280 8.684,1282 10.357,1284 4.18,1290 3.409,1291 2.944,1294 0.32,1295 1.463,1300 36.31,1301 84.167,1302 215.042,1303 281.355,1304 298.965,1305 298.965,1306 298.965,1307 60.483,1308 7.975,1309 76.36,1310 76.36,1311 24,1312 12.651,1313 4.17,1314 3.585,1315 49.835,1316 150,1317 164,1318 0.159,1319 223.974,1320 402.36,1321 538.256,1322 36052,1324 21.794,1325 0.703,1326 0.575,1327 21.794,1328 17.837,1329 15.025,1330 0.442,1331 0.314,1332 10.555,1333 14.596,1334 10.254,1335 8.571,1336 15.025,1337 10.659,1338 13.452,1339 0.286,1340 0.172,1341 13.452,1342 8.063,1343 11.378,1344 0.184,1345 0.089,1346 11.378,1347 5.488,1348 9.094,1349 0.115,1350 0.046,1351 9.094,1352 3.623,1353 7.661,1354 0.072,1355 0.024,1356 7.661,1357 2.541,1358 0.258,1359 93.204,1360 0.21,1361 29.82,1362 0.413,1363 162,1364 444.739,1365 174.394,1366 436.317,1367 599.94,1368 408,1369 190,1370 444.766,1371 202.978,1372 453.07,1373 662.98,1374 427,1375 7} {0 CHEMBL121,1 1.703,2 12.52,3 3.375,4 11.391,5 97.865,6 8.124,7 0.444,8 3.884,9 3.989,10 3.568,11 3.452,12 5.018,13 3.417,14 4.409,15 4.564,16 3.951,17 3.818,18 5.537,19 3.758,20 4.614,21 4.798,22 3.85,23 3.879,24 5.691,25 3.793,26 4.617,27 4.836,28 3.679,29 3.822,30 5.724,31 3.702,32 4.609,33 4.849,34 3.635,35 3.794,36 5.574,37 3.651,38 4.495,39 4.728,40 3.526,41 3.638,42 5.53,43 3.527,44 4.3,45 4.518,46 3.407,47 3.434,48 5.4,49 3.365,50 4.151,51 4.371,52 3.289,53 3.37,54 5.233,55 3.266,56 0.048,57 0.647,58 8.454,59 4.166,60 7.243,61 4.92,62 0.327,63 1.047,64 19.172,65 6.975,66 25.996,67 8.278,68 0.4,69 1.17,70 25.337,71 8.916,72 40.833,73 10.493,74 0.433,75 1.146,76 23.143,77 8.532,78 69.677,79 10.948,80 0.365,81 1.111,82 26.353,83 9.484,84 43.496,85 12.056,86 0.311,87 0.981,88 23.201,89 8.01,90 38.738,91 10.073,92 0.321,93 0.788,94 17.897,95 6.001,96 39.106,97 7.477,98 0.327,99 0.698,100 14.706,101 5.505,102 36.096,103 7.203,104 10,105 36,106 0.296,107 0.637,108 0.813,109 0.875,110 0.875,111 0.875,112 3.265,113 0.983,114 -3.14,115 -3.13,116 -3.01,118 40.9,120 1,123 1,124 2,126 1,140 7,141 1,142 1,143 1,145 1,154 1,155 1,168 7,171 1,172 6,175 2,177 1,180 8,185 1,186 6,191 1,194 5,197 1,198 4,203 1,206 2,209 1,210 7,215 2,218 2,222 7,227 2,234 7,242 2,246 1,247 3,250 1,255 4,258 1,259 1,267 5,270 941,271 16.861,272 16.861,273 16.861,274 16.861,275 16.861,276 15.126,277 18.448,278 10.167,279 17.384,280 13.338,281 13.338,282 13.338,283 13.338,284 13.338,285 10.701,286 20.749,287 4.871,288 14.153,289 3.756,290 1.793,291 0.782,292 0.426,293 0.426,294 0.426,295 3.948,298 1,299 1,300 1,301 668,302 3.162,305 82.32,306 189.109,313 2.138,314 24.695,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 54.5,326 313,327 4.148,328 4.838,329 6.15,330 3.89,331 2.946,332 3.648,333 4.464,334 9.095,335 2.778,336 4.047,337 3.709,338 6.018,339 3.711,340 2.785,341 3.537,342 2.024,343 8.538,344 2.577,345 3.988,346 3.13,347 5.477,348 3.582,349 2.617,350 3.285,351 0.864,352 7.338,353 2.519,354 3.493,355 3.044,356 5.134,357 3.152,358 2.201,359 2.763,360 0.86,361 6.391,362 2.075,363 3.266,364 2.894,365 4.747,366 2.83,367 1.857,368 2.379,369 0.8,370 5.072,371 1.77,372 3.15,373 2.522,374 4.313,375 2.786,376 1.817,377 2.332,379 4.273,380 1.743,381 2.586,382 1.961,383 4.128,384 2.277,385 1.329,386 1.597,388 3.524,389 1.25,390 2.5,391 1.582,392 3.549,393 2.18,394 1.245,395 1.5,397 2.841,398 1.134,399 2.5,400 1.506,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.495,409 1.128,410 3.247,411 1.959,412 1,413 1.439,415 2.136,416 0.956,417 2.024,418 1,419 3.238,420 1.768,421 0.856,422 0.973,424 1.953,425 0.774,426 1.335,427 1,428 2.898,429 1.091,430 0.159,431 0.177,433 0.391,434 0.146,435 1,436 0.833,437 2.482,438 0.663,439 -0.253,440 -0.276,442 -0.644,443 -0.229,444 0.891,445 0.573,446 2,447 0.492,448 -0.576,449 -0.758,451 -1.32,452 -0.579,453 0.68,454 0.135,455 2,456 0.264,457 -0.693,458 -0.916,460 -1.592,461 -0.668,462 12.033,463 0.481,464 0.558,465 0.022,466 32.25,467 1.29,468 16,469 0.64,470 16.25,471 0.65,472 18.882,473 0.755,474 26.967,475 0.613,476 21.977,477 0.879,478 6.342,479 0.254,480 5.772,481 0.231,482 0.097,484 0.283,487 0.733,488 1.313,489 0.723,490 1.004,491 0.549,492 0.94,493 0.823,494 1.057,495 0.943,496 1.044,497 0.585,498 0.947,499 1.146,500 1.096,501 1.136,502 1.141,503 1.021,504 1.097,505 0.941,506 0.956,507 0.911,508 0.918,509 0.767,510 1.088,511 0.801,512 0.928,513 0.929,514 0.968,515 0.647,516 0.991,517 1.031,518 0.995,519 0.934,520 0.977,521 0.789,522 0.973,523 1.313,524 0.927,525 0.795,526 0.845,527 1.16,528 0.917,529 0.708,530 0.874,531 0.722,532 0.807,533 0.721,534 0.934,535 5,536 0.086,537 2.444,538 1.604,539 0.733,540 0.577,541 0.455,542 0.254,543 0.146,544 0.107,545 8466,546 26030,547 2.062,548 43.2,550 15,552 1,553 1,555 2,558 1.67,559 1.948,560 3.595,561 -0.277,562 1,563 1,567 74.936,568 1.703,569 3.667,570 4.677,571 5.033,572 5.033,573 5.033,574 3.049,575 4.054,576 4.617,577 3.79,578 1136.97,579 7.931,580 14934.7,582 1,584 1,585 240.215,586 1.323,587 4.583,588 0.185,589 0.006,590 0.068,591 0.049,592 0.027,593 0.022,594 0.019,595 0.012,596 0.008,597 0.006,598 0.402,599 0.33,600 1,601 0.553,602 124.899,603 -0.043,604 -0.177,605 0.064,606 -0.026,607 -0.031,608 -0.006,609 0.081,610 0.054,611 0.055,612 -0.014,613 0.05,614 -0.005,615 -0.106,616 -0.095,617 -0.151,618 -0.144,619 -0.108,620 -0.136,621 -0.032,622 -0.002,623 -0.081,624 -0.038,625 0.064,626 -0.124,627 0.023,628 -0.018,629 0.044,630 0.015,631 0.022,632 0.036,633 -0.069,634 -0.082,635 0.013,636 -0.033,637 0.025,638 0.025,639 -0.141,640 -0.022,641 0.04,642 0.011,643 -0.088,644 0.035,645 0.205,646 0.039,647 0.098,648 0.077,649 0.074,650 0.052,651 1.938,652 4.591,653 0.68,654 26.266,655 1.01,656 1.122,657 1.907,658 3.638,659 0.685,660 3.332,661 3.611,662 3.807,663 3.989,664 4.094,665 3.97,666 4.06,667 4.111,668 4.174,669 4.205,670 7.43,671 0.65,672 357.47,673 3.332,674 4.844,675 5.659,676 6.503,677 7.331,678 8.175,679 9.009,680 9.852,681 10.689,682 11.533,683 6.8,689 1,690 1,693 1,699 8,700 1,704 3,706 12,719 1,722 1,724 44,726 14,727 1,728 27,730 46,731 18,733 11,734 2,735 4,739 3,740 3,748 1,751 2,753 13,754 5,756 2,761 2,765 2,768 1,769 1,772 19,773 6,774 1,775 7,776 1,779 3,782 1,784 1,785 3,795 1,801 1,802 2,829 1,832 3,834 1,836 1,840 25,846 3,847 1,848 1,849 1,850 1,851 1,862 6.8,865 2,867 1,869 12.833,870 8.067,871 5.556,872 2.494,874 2.178,875 1.316,876 0.955,877 5.948,878 9.068,879 3.584,880 4.078,881 4.5,882 4.942,883 5.367,884 5.202,885 5.413,886 5.616,887 5.851,888 6.019,889 1,890 33,891 9.239,893 3.872,894 7.86,895 17.498,897 14.024,899 2.36,900 59,903 1,904 211.88,905 143.761,906 37.921,908 61.29,910 32.22,911 111.542,912 273.17,913 37.921,914 8.396,915 27.243,916 66.334,917 83.551,918 31.601,919 5.398,920 232.328,922 211.88,923 149.462,924 61.29,925 32.22,927 188.338,928 84.832,931 36.291,932 96.386,933 16.786,934 32.22,935 211.88,936 99.21,937 143.761,940 211.88,941 59.984,942 86.902,943 18.011,944 78.075,945 211.88,946 99.21,947 143.761,949 0.574,950 0.325,951 0.168,952 0.086,953 16,954 7,955 0.152,956 7,958 1,959 3.907,960 188.309,962 17,963 112.096,964 1,968 17.773,969 8.366,970 4.97,972 99.21,973 15.181,974 4.288,978 2.682,980 18.011,981 454.851,982 35,987 22.777,991 -0.486,994 44.433,995 49.365,996 0.312,997 0.672,998 0.857,999 0.922,1000 0.922,1001 0.922,1002 4.796,1003 1.245,1004 5.617,1005 3.524,1006 4.29,1007 4.762,1008 3.899,1009 6.344,1010 4.178,1011 5.955,1012 1,1013 7.125,1014 2.841,1015 3.761,1016 4.35,1017 3.104,1018 7.05,1019 3.59,1020 7.219,1021 1,1022 8.729,1023 2.275,1024 5.808,1025 6.768,1026 6.584,1027 10.093,1028 5.581,1029 8.511,1030 0.856,1031 10.388,1032 2.136,1033 6.089,1034 7.098,1035 6.32,1036 11.626,1037 5.784,1038 9.832,1039 0.159,1040 12.082,1041 1.953,1042 7.588,1043 9.027,1044 9.486,1045 14.142,1046 7.245,1047 11.171,1048 -0.253,1049 13.801,1050 0.391,1051 8.256,1052 9.708,1053 9.546,1054 16.028,1055 7.825,1056 12.525,1057 -0.576,1058 15.538,1059 -0.644,1060 9.512,1061 11.407,1062 12.419,1063 18.344,1064 9.046,1065 2.946,1066 -0.693,1067 17.287,1068 -1.32,1069 10.373,1070 12.284,1071 12.718,1072 20.39,1073 9.821,1074 2.785,1075 9.095,1076 19.047,1077 -1.592,1078 11.518,1079 13.849,1080 15.361,1081 22.626,1082 10.926,1083 2.617,1084 8.538,1085 20.814,1086 3.648,1087 12.475,1088 14.85,1089 15.847,1090 24.746,1091 11.803,1092 2.201,1093 7.338,1094 22.588,1095 3.537,1096 13.569,1097 16.328,1098 18.308,1099 26.95,1100 12.851,1101 1.857,1102 6.391,1103 24.367,1104 3.285,1105 14.576,1106 17.411,1107 18.945,1108 29.106,1109 13.782,1110 1.817,1111 5.072,1112 26.15,1113 2.763,1114 15.648,1115 18.83,1116 21.26,1117 31.299,1118 14.803,1119 1.329,1120 4.273,1121 27.936,1122 2.379,1123 16.679,1124 19.971,1125 22.021,1126 33.472,1127 15.765,1128 8133,1129 14445,1130 18.087,1131 30.12,1132 39.952,1133 43.099,1134 40.626,1135 39.609,1136 39.625,1137 50.26,1138 18.025,1139 107.654,1140 37.444,1141 5.078,1142 6.838,1143 5.952,1144 4.984,1145 4.946,1146 6.648,1147 8.622,1148 15.26,1149 4.778,1150 11.388,1151 1.48,1152 1.596,1153 1.505,1154 1.467,1155 1.468,1156 1.861,1157 0.668,1158 3.987,1159 1.387,1160 3.963,1161 3.991,1162 4.059,1163 3.89,1164 7.448,1165 3.881,1166 3.877,1167 3.923,1168 3.846,1169 3.753,1170 7.408,1171 3.761,1172 3.728,1173 3.742,1174 3.799,1175 3.619,1176 4.908,1177 3.587,1178 3.53,1179 3.597,1180 3.395,1181 3.339,1182 4.834,1183 3.341,1184 3.212,1185 3.274,1186 3.106,1187 3.001,1188 4.355,1189 3.01,1190 3.072,1191 3.15,1192 2.986,1193 2.859,1194 4.089,1195 2.848,1196 2.854,1197 2.925,1198 2.861,1199 2.735,1200 3.96,1201 2.715,1202 2.839,1203 2.878,1204 2.687,1205 2.656,1206 3.823,1207 2.637,1208 0.154,1209 0.179,1210 0.228,1211 0.144,1212 0.109,1213 4.148,1214 0.135,1215 4.838,1216 0.165,1217 6.15,1218 0.337,1219 3.89,1220 0.103,1221 2.946,1222 3.648,1223 4.464,1224 9.095,1225 2.778,1226 1.917,1227 1.895,1228 2.031,1229 2.021,1230 1.235,1231 2.023,1232 1.835,1233 1.79,1234 1.962,1235 1.982,1236 1.104,1237 1.982,1238 1.531,1239 1.489,1240 1.768,1241 1.744,1242 0.908,1243 1.754,1244 1.456,1245 1.406,1246 1.623,1247 1.671,1248 0.862,1249 1.65,1250 1.223,1251 1.213,1252 1.511,1253 1.488,1254 0.612,1255 1.48,1256 1.132,1257 1.049,1258 1.284,1259 1.396,1260 0.239,1261 1.431,1262 0.886,1263 0.826,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.853,1269 0.821,1270 1.119,1271 1.062,1272 0.183,1273 1.066,1274 4.007,1276 5.293,1277 2.398,1278 6.756,1279 4.727,1280 8.292,1281 6.763,1282 9.865,1284 1.973,1290 1.798,1291 2.301,1292 5.753,1293 1.045,1294 -0.341,1295 2.029,1300 28.61,1301 74.936,1302 161.344,1303 205.809,1304 221.46,1305 221.46,1306 221.46,1307 46.706,1308 6.89,1309 71.53,1310 96.83,1311 17,1312 12.096,1313 3.907,1314 3.17,1315 42.252,1316 113,1317 94,1318 0.18,1319 181.336,1320 317.84,1321 434.219,1322 9413,1324 17.648,1325 0.706,1326 0.586,1327 18.002,1328 14.661,1329 12.114,1330 0.449,1331 0.328,1332 7.92,1333 11.149,1334 7.655,1335 6.33,1336 12.522,1337 8.85,1338 10.743,1339 0.298,1340 0.191,1341 11.471,1342 6.865,1343 8.613,1344 0.196,1345 0.11,1346 9.333,1347 4.829,1348 6.852,1349 0.129,1350 0.063,1351 7.621,1352 3.318,1353 5.115,1354 0.087,1355 0.034,1356 5.677,1357 2.009,1358 0.295,1359 80.352,1360 0.235,1361 25.161,1362 0.458,1363 126,1364 411.69,1365 167.172,1366 410.509,1367 547.13,1368 384,1369 143,1370 371.31,1371 177.07,1372 387.06,1373 561.63,1374 363,1375 5.449} {0 CHEMBL12131,1 1.836,2 11.633,3 6.727,4 45.254,5 135.43,6 15.07,7 0.563,8 3.878,9 3.95,10 4.068,11 3.697,12 5.145,13 3.6,14 4.337,15 4.434,16 4.579,17 4.131,18 5.572,19 3.993,20 4.628,21 4.74,22 4.812,23 4.322,24 5.922,25 4.156,26 4.73,27 4.882,28 5.385,29 4.376,30 6.103,31 4.135,32 4.676,33 4.843,34 4.855,35 4.152,36 6.077,37 4.039,38 4.587,39 4.733,40 4.399,41 4.12,42 5.938,43 3.957,44 4.476,45 4.631,46 4.538,47 4.08,48 5.753,49 3.889,50 4.483,51 4.658,52 4.745,53 4.099,54 5.757,55 3.823,56 0.08,57 0.478,58 10.983,59 2.42,60 13.414,61 3.17,62 0.14,63 0.774,64 24.891,65 4.664,66 22.386,67 6.311,68 0.232,69 1.086,70 66.904,71 10.353,72 38.65,73 9.154,74 0.539,75 1.273,76 144.275,77 15.129,78 77.784,79 11.083,80 0.366,81 1.241,82 52.955,83 13.11,84 73.727,85 10.4,86 0.481,87 1.053,88 71.167,89 10.866,90 84.119,91 9.302,92 0.281,93 0.953,94 37.872,95 7.118,96 51.57,97 8.509,98 0.474,99 0.99,100 72.95,101 11.516,102 71.481,103 10.279,104 66,105 46,106 0.313,107 0.665,108 0.789,109 0.882,110 0.882,111 0.882,112 3.44,113 1.084,114 -6.83,115 -6.64,116 -6.15,118 50,119 1,121 1,140 8,141 4,142 6,154 2,168 10,172 2,175 1,177 4,180 20,186 3,191 6,194 19,198 5,201 1,202 1,203 2,206 14,210 10,215 5,218 15,222 3,227 3,229 13,234 2,237 1,239 4,242 12,247 1,252 4,255 11,258 1,259 3,264 1,267 10,270 1392,271 19.524,272 19.524,273 19.524,274 19.524,275 19.524,276 16.865,277 21.855,278 11.11,279 20.248,280 15.639,281 15.639,282 15.639,283 15.639,284 15.639,285 11.633,286 23.999,287 5.144,288 17.101,289 3.623,290 1.563,291 0.835,292 0.29,293 0.29,294 0.29,295 4.113,297 2,301 730,302 3.606,306 336.203,313 2.016,314 36.453,317 0.5,318 0.67,319 0.67,320 0.2,322 0.67,323 1,324 0.53,325 62.467,326 349,327 4.49,328 4.214,329 6.683,330 4.133,331 3.158,332 4.157,333 2.825,334 10.773,335 3.077,336 4.435,337 3.637,338 6.578,339 4.036,340 3.081,341 4.094,342 1.058,343 10.272,344 2.942,345 4.117,346 3.379,347 6.07,348 3.733,349 2.761,350 3.672,351 0.487,352 8.755,353 2.678,354 3.819,355 3.132,356 5.606,357 3.367,358 2.444,359 3.208,361 7.213,362 2.223,363 3.658,364 2.983,365 5.469,366 3.196,367 2.275,368 2.967,370 6.699,371 1.973,372 3.485,373 2.83,374 5.021,375 2.984,376 2.092,377 2.744,379 5.924,380 1.78,381 3.419,382 2.619,383 4.971,384 2.876,385 2.065,386 2.717,388 5.73,389 1.519,390 3.27,391 2.597,392 4.612,393 2.607,394 1.663,395 2.24,397 4.717,398 1.462,399 3.02,400 2.022,401 4.354,402 2.319,403 1.389,404 1.91,406 3.824,407 1.205,408 2.76,409 1.947,410 4.056,411 2.131,412 1.167,413 1.722,415 3.02,416 1.048,417 2.5,418 1.559,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.119,427 1.037,428 3.292,429 1.447,430 0.546,431 0.713,433 1.203,434 0.445,435 1.556,436 1,437 2.89,438 1.07,439 0.297,440 0.354,442 0.677,443 0.113,444 1.505,445 0.988,446 2.682,447 0.961,448 0.051,449 0.072,451 0.092,452 0.041,453 1,454 0.428,455 2.643,456 0.576,457 -0.331,458 -0.41,460 -0.842,461 -0.091,462 17.181,463 0.573,464 0.966,465 0.032,466 41.25,467 1.375,468 23.5,469 0.783,470 17.75,471 0.592,472 31.152,473 1.038,474 28.419,475 0.646,476 28.477,477 0.949,478 7.473,479 0.249,480 6.733,481 0.224,482 0.366,484 0.349,487 0.707,488 0.797,489 0.477,490 0.476,491 0.652,492 0.594,493 0.538,494 0.896,495 0.586,496 0.585,497 0.526,498 0.713,499 0.976,500 1.168,501 0.944,502 1.008,503 0.903,504 1.066,505 1.021,506 0.983,507 0.567,508 0.635,509 0.985,510 0.909,511 1.062,512 1.1,513 0.637,514 0.828,515 1.254,516 0.86,517 1.321,518 0.949,519 0.72,520 0.798,521 1.398,522 1.055,523 0.838,524 0.972,525 0.558,526 0.624,527 0.85,528 0.958,529 1.079,530 0.91,531 1.062,532 0.986,533 0.995,534 1.004,535 7.5,536 0.165,537 4.444,538 2.75,539 2.591,540 1.188,541 0.872,542 0.616,543 0.386,544 0.238,545 11030,546 46622,547 1.955,548 31.8,549 3,550 8,553 2,554 1,558 1.729,559 1.765,560 3.48,561 0.243,566 2,567 80.805,568 1.836,569 3.897,570 4.624,571 5.17,572 5.17,573 5.17,574 2.961,575 4.44,576 4.879,577 3.683,578 1601.94,579 8.511,580 22137.4,585 240.215,586 1.566,587 4.796,588 0.234,589 0.008,590 0.097,591 0.054,592 0.054,593 0.026,594 0.022,595 0.017,596 0.012,597 0.01,598 0.534,599 0.17,600 0.75,601 0.836,602 154.08,603 -0.083,604 0.085,605 -0.002,606 0.03,607 -0.07,608 0.048,609 0.079,610 -0.015,611 0.007,612 0.034,613 0.032,614 0.039,615 -0.107,616 -0.227,617 -0.077,618 -0.151,619 -0.078,620 -0.209,621 0.027,622 0.029,623 0.169,624 0.163,625 0.026,626 0.013,627 -0.026,628 -0.084,629 0.04,630 -0.065,631 -0.007,632 0.091,633 -0.186,634 0.017,635 -0.078,636 -0.081,637 -0.207,638 -0.149,639 0.008,640 -0.027,641 0.016,642 0.035,643 -0.026,644 -0.05,645 0.033,646 0.075,647 -0.03,648 0.073,649 -0.019,650 0.093,651 2.106,652 5.746,653 0.6,654 29.227,655 1.016,656 1.092,657 5.605,658 31.416,659 0.865,660 3.497,661 3.85,662 4.111,663 4.344,664 4.564,665 4.533,666 4.595,667 4.644,668 4.673,669 4.736,670 6.931,671 0.772,672 663.08,673 3.497,674 5.056,675 5.911,676 6.799,677 7.672,678 8.559,679 9.439,680 10.326,681 11.208,682 12.095,683 4.5,690 1,692 1,699 8,704 10,706 18,712 1,721 1,723 4,724 44,726 20,727 3,728 32,730 46,731 22,733 18,734 10,735 8,736 1,739 3,740 3,741 2,745 1,752 1,753 19,754 2,755 1,756 1,761 1,765 1,772 14,773 4,774 2,775 8,776 4,777 2,779 2,784 1,785 2,802 3,811 1,832 3,836 1,837 2,839 2,840 30,845 1,847 1,850 1,853 1,858 1,860 1,861 4,862 4.5,864 1,865 1,869 17,870 8.388,871 6.611,872 2.444,874 3.084,875 1.423,876 0.984,877 7.763,878 10.378,879 3.807,880 4.425,881 4.982,882 5.541,883 6.078,884 6.192,885 6.481,886 6.765,887 7.019,888 7.335,889 0.875,890 51,891 11.081,893 4.754,894 7.971,895 20.57,897 16.685,899 2.471,900 74.129,904 141.253,905 245.325,906 49.07,907 78.297,908 67.828,910 113.564,911 131.761,912 287.379,913 49.07,914 8.825,915 18.011,916 75.81,917 89.135,918 56.879,920 254.817,921 78.297,922 141.253,923 180.831,924 67.828,925 78.297,926 113.564,927 141.253,928 67.828,931 57.895,932 122.936,933 78.297,934 113.564,935 141.253,936 116.898,937 210.058,938 113.564,940 141.253,941 30.524,942 198.199,943 34.612,944 177.185,945 141.253,946 116.898,947 210.058,948 113.564,949 0.593,950 0.356,951 0.188,952 0.106,953 21,954 12,955 0.087,956 4,958 1,959 3.924,960 264.648,962 18,963 143.207,968 23.442,969 9.935,970 5.351,972 116.898,973 13.849,978 5.166,980 60.694,981 581.774,982 44,987 12.746,991 -0.439,994 44.713,995 48.066,996 0.336,997 0.714,998 0.847,999 0.947,1000 0.947,1001 0.947,1002 5.066,1003 1.663,1004 5.932,1005 5.73,1006 4.533,1007 5.112,1008 2.936,1009 6.772,1010 4.377,1011 6.315,1012 1.389,1013 7.523,1014 4.717,1015 4.29,1016 5.037,1017 1.63,1018 7.732,1019 3.983,1020 7.644,1021 1.167,1022 9.21,1023 3.824,1024 6.168,1025 7.329,1026 4.749,1027 10.827,1028 5.942,1029 9.002,1030 1,1031 10.949,1032 3.02,1033 6.673,1034 7.988,1035 3.996,1036 12.563,1037 6.352,1038 10.384,1039 0.546,1040 12.721,1041 2.275,1042 8.079,1043 9.804,1044 6.739,1045 15.201,1046 7.803,1047 11.785,1048 0.297,1049 14.516,1050 1.203,1051 8.92,1052 10.813,1053 6.329,1054 17.276,1055 8.583,1056 13.2,1057 0.051,1058 16.328,1059 0.677,1060 10.148,1061 12.425,1062 8.758,1063 19.744,1064 9.826,1065 3.158,1066 -0.331,1067 18.153,1068 0.092,1069 11.145,1070 13.617,1071 8.592,1072 21.972,1073 10.778,1074 3.081,1075 10.773,1076 19.989,1077 -0.842,1078 12.307,1079 15.13,1080 10.785,1081 24.372,1082 11.935,1083 2.761,1084 10.272,1085 21.834,1086 4.157,1087 13.375,1088 16.421,1089 10.807,1090 26.67,1091 12.966,1092 2.444,1093 8.755,1094 23.685,1095 4.094,1096 14.513,1097 17.884,1098 12.817,1099 29.043,1100 14.088,1101 2.275,1102 7.213,1103 25.543,1104 3.672,1105 15.615,1106 19.23,1107 12.99,1108 31.373,1109 15.156,1110 2.092,1111 6.699,1112 27.406,1113 3.208,1114 16.747,1115 20.668,1116 14.854,1117 33.737,1118 16.265,1119 2.065,1120 5.924,1121 29.272,1122 2.967,1123 17.865,1124 22.043,1125 15.151,1126 36.083,1127 17.352,1128 10910,1129 22570,1130 20.115,1131 38.046,1132 49.806,1133 53.119,1134 51.284,1135 48.606,1136 47.977,1137 64.14,1138 8.741,1139 142.35,1140 43.014,1141 5.332,1142 6.214,1143 6.189,1144 5.156,1145 5.158,1146 7.157,1147 5.457,1148 17.919,1149 5.077,1150 20.162,1151 1.556,1152 1.66,1153 1.603,1154 1.519,1155 1.499,1156 2.004,1157 0.273,1158 4.448,1159 1.344,1160 4.033,1161 4.053,1162 10.699,1163 4.122,1164 7.429,1165 3.981,1166 3.915,1167 3.925,1168 10.692,1169 3.969,1170 6.817,1171 3.887,1172 3.835,1173 3.855,1174 4.083,1175 3.797,1176 6.467,1177 3.784,1178 3.426,1179 3.465,1180 3.958,1181 3.645,1182 4.955,1183 3.311,1184 3.267,1185 3.305,1186 3.773,1187 3.346,1188 4.893,1189 3.124,1190 3.138,1191 3.194,1192 3.486,1193 3.242,1194 4.552,1195 2.995,1196 2.945,1197 2.947,1198 3.424,1199 3.02,1200 4.377,1201 2.937,1202 2.854,1203 2.925,1204 3.154,1205 2.758,1206 4.303,1207 2.715,1208 0.14,1209 0.132,1210 0.209,1211 0.129,1212 0.099,1213 4.49,1214 0.13,1215 4.214,1216 0.088,1217 6.683,1218 0.337,1219 4.133,1220 0.096,1221 3.158,1222 4.157,1223 2.825,1224 10.773,1225 3.077,1226 1.991,1227 1.973,1228 2.062,1229 2.057,1230 1.26,1231 2.065,1232 1.892,1233 1.884,1234 1.941,1235 1.951,1236 1.101,1237 1.96,1238 1.829,1239 1.81,1240 1.859,1241 1.881,1242 1.054,1243 1.902,1244 1.375,1245 1.337,1246 1.547,1247 1.527,1248 0.679,1249 1.53,1250 1.193,1251 1.15,1252 1.401,1253 1.426,1254 0.484,1255 1.437,1256 1.106,1257 1.065,1258 1.196,1259 1.282,1260 0.264,1261 1.279,1262 0.886,1263 0.873,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.874,1269 0.821,1270 1.001,1271 1.061,1272 0.099,1273 1.039,1274 4.174,1276 5.517,1278 7.054,1280 8.679,1282 10.351,1284 1.824,1285 12.431,1287 4.072,1289 10.246,1291 2.804,1294 -0.57,1298 9.723,1299 2.279,1300 33.975,1301 80.805,1302 171.46,1303 203.46,1304 227.46,1305 227.46,1306 227.46,1307 80.191,1308 7.294,1309 73.12,1310 73.12,1311 18,1312 12.627,1313 4.392,1314 3.7,1315 55.353,1316 127,1317 126,1318 0.218,1319 237.909,1320 408.26,1321 572.259,1322 13646,1323 9.1,1324 21.999,1325 0.733,1326 0.711,1327 25.999,1328 21.338,1329 14.206,1330 0.444,1331 0.361,1332 8.794,1333 11.99,1334 8.339,1335 6.866,1336 16.515,1337 11.567,1338 13.232,1339 0.288,1340 0.213,1341 16.348,1342 9.792,1343 10.969,1344 0.183,1345 0.109,1346 13.438,1347 6.533,1348 8.813,1349 0.116,1350 0.069,1351 11.794,1352 5.211,1353 7.25,1354 0.076,1355 0.033,1356 9.422,1357 3.14,1358 0.342,1359 120.637,1360 0.223,1361 28.26,1362 0.597,1363 156,1364 485.567,1365 491.923,1366 624.249,1367 792.34,1368 572,1369 184,1370 460.673,1371 321.025,1372 523.086,1373 761.17,1374 490,1375 7.194} {0 CHEMBL1221,1 1.685,2 9.458,3 5.726,4 32.785,5 104.437,6 10.199,7 0.654,8 3.758,9 3.847,10 3.645,11 3.492,12 4.862,13 3.414,14 4.259,15 4.387,16 4.038,17 3.904,18 5.334,19 3.785,20 4.479,21 4.635,22 4.111,23 4.029,24 5.467,25 3.848,26 4.526,27 4.717,28 4.225,29 4.019,30 5.47,31 3.793,32 4.464,33 4.671,34 3.946,35 3.912,36 5.338,37 3.732,38 4.453,39 4.623,40 4.113,41 3.961,42 5.483,43 3.812,44 4.537,45 4.746,46 3.971,47 3.924,48 5.582,49 3.793,50 4.404,51 4.607,52 3.827,53 3.799,54 5.47,55 3.644,56 0.023,57 0.486,58 3.833,59 2.981,60 4.842,61 3.864,62 0.137,63 0.851,64 12.815,65 6.066,66 12.119,67 6.842,68 0.203,69 0.974,70 23.854,71 8.67,72 24.278,73 10.22,74 0.311,75 1.044,76 37.88,77 10.734,78 33.879,79 12.072,80 0.279,81 1.056,82 31.669,83 10.092,84 24.168,85 11.097,86 0.221,87 0.927,88 28.803,89 8.256,90 23.396,91 9.857,92 0.305,93 1.021,94 24.666,95 8.457,96 32.383,97 10.786,98 0.238,99 0.854,100 24.561,101 7.72,102 29.44,103 9.744,104 10,105 35,106 0.299,107 0.593,108 0.757,109 0.837,110 0.872,111 0.884,112 3.228,113 1.104,114 -6.48,115 -6.31,116 -5.85,118 46.2,124 2,126 1,140 7,141 2,142 3,143 1,149 1,156 1,168 6,171 1,180 15,186 2,194 10,198 1,206 10,210 6,218 3,222 3,229 9,234 7,242 8,247 2,255 8,259 4,267 3,270 964,271 16.154,272 16.154,273 16.154,274 16.154,275 16.154,276 13.952,277 14.184,278 9.676,279 16.889,280 12.837,281 12.837,282 12.837,283 12.837,284 12.837,285 9.699,286 11.184,287 4.643,288 14.176,289 3.6,290 1.948,291 1.023,292 0.571,293 0.378,294 0.308,295 3.908,297 3,300 1,301 483,302 3,305 75.438,306 175.671,313 1.253,314 14.714,317 0.75,318 0.83,319 0.83,320 0.5,321 0.5,322 0.83,323 1,324 0.75,325 50,326 227,327 4.322,328 4.51,329 6.469,330 3.96,331 3.027,332 3.93,333 3.52,334 10.031,335 2.799,336 4.012,337 3.325,338 5.474,339 3.576,340 2.619,341 3.614,342 0.57,343 7.281,344 2.506,345 3.928,346 3.012,347 5.404,348 3.459,349 2.55,350 3.483,352 7.134,353 2.305,354 3.575,355 2.881,356 5.136,357 3.142,358 2.263,359 2.879,361 6.272,362 1.926,363 3.415,364 2.659,365 4.89,366 2.977,367 2.088,368 2.702,370 5.691,371 1.767,372 3.037,373 2.554,374 4.694,375 2.607,376 1.77,377 2.166,379 4.847,380 1.399,381 2.701,382 2.106,383 3.965,384 2.236,385 1.295,386 1.776,388 3.254,389 1.184,390 2.5,391 1.609,392 3.433,393 2.022,394 1.136,395 1.5,397 2.544,398 1,399 2.488,400 1.3,401 3.414,402 2,403 1,404 1.485,406 2.275,407 0.988,408 2.118,409 1,410 3.112,411 1.554,412 0.618,413 0.927,415 1.401,416 0.577,417 1.764,418 0.678,419 3,420 1.456,421 0.597,422 0.676,424 1.372,425 0.484,426 1.224,427 0.618,428 2.649,429 0.801,430 -0.048,431 -0.058,433 -0.115,434 -0.034,435 1.073,436 0.519,437 2.383,438 0.679,439 -0.163,440 -0.191,442 -0.372,443 -0.118,444 0.796,445 0.256,446 2.358,447 0.273,448 -0.514,449 -0.621,451 -1.242,452 -0.293,453 0.532,454 0.109,455 2,456 0.162,457 -0.665,458 -0.769,460 -1.731,461 -0.506,462 12.776,463 0.532,464 0.558,465 0.023,466 31,467 1.292,468 16,469 0.667,470 15,471 0.625,472 21.481,473 0.895,474 24.424,475 0.626,476 18.73,477 0.78,478 5.67,479 0.236,480 5.944,481 0.248,482 0.168,484 0.266,487 0.588,488 1.144,489 0.531,490 0.737,491 0.547,492 0.764,493 0.822,494 0.988,495 0.827,496 0.931,497 0.613,498 0.88,499 0.981,500 1.106,501 1.106,502 1.179,503 0.991,504 1.153,505 0.824,506 1.053,507 1.012,508 1.152,509 0.873,510 1.07,511 0.729,512 1.02,513 0.978,514 1.162,515 0.69,516 0.933,517 0.9,518 1.108,519 0.821,520 0.956,521 0.927,522 1.033,523 0.834,524 0.945,525 0.745,526 0.81,527 0.87,528 0.939,529 1.14,530 0.959,531 0.977,532 0.886,533 1.167,534 1.019,535 5,536 0.071,537 2.444,538 1.285,539 1.031,540 0.66,541 0.482,542 0.361,543 0.236,544 0.223,545 6227,546 22744,547 2.064,548 38.5,550 12,551 1,552 2,558 1.674,559 1.946,560 3.183,561 -0.74,567 65.714,568 1.685,569 3.337,570 4.262,571 4.715,572 4.907,573 4.978,574 2.584,575 4.054,576 4.556,577 3.345,578 923.174,579 7.891,580 11095,585 206.131,586 1.347,587 4.522,588 0.192,589 0.007,590 0.07,591 0.04,592 0.036,593 0.022,594 0.015,595 0.011,596 0.009,597 0.012,598 0.414,599 0.5,600 0.88,601 0.566,602 113.83,603 -0.013,604 -0.124,605 0.014,606 -0.001,607 -0.014,608 0.002,609 -0.085,610 0.107,611 -0.078,612 -0.011,613 0.033,614 -0.036,615 -0.122,616 -0.133,617 -0.14,618 -0.16,619 -0.128,620 -0.194,621 0.053,622 -0.054,623 0.069,624 0.019,625 0.024,626 -0.019,627 0.023,628 0.055,629 -0.038,630 -0.006,631 0.012,632 0.105,633 -0.046,634 -0.151,635 0.02,636 -0.067,637 -0.077,638 -0.097,639 0.045,640 0.021,641 0.021,642 0.017,643 0.017,644 0.02,645 -0.134,646 -0.04,647 -0.072,648 -0.023,649 -0.125,650 -0.039,651 1.139,652 2.316,653 0.708,654 19.014,655 1.008,656 1.104,657 5.249,658 27.556,659 0.778,660 3.296,661 3.584,662 3.784,663 3.989,664 4.127,665 4.143,666 4.159,667 4.263,668 4.317,669 4.304,670 5.765,671 0.716,672 397.77,673 3.296,674 4.812,675 5.631,676 6.482,677 7.317,678 8.17,679 9.012,680 9.868,681 10.714,682 11.572,683 5.1,691 1,693 1,699 10,700 1,704 5,705 1,706 17,723 3,724 39,726 17,727 2,728 26,730 41,731 18,733 15,734 5,735 7,739 3,740 3,741 3,751 1,753 15,754 3,772 15,773 1,775 6,776 4,778 1,779 2,784 1,801 1,802 2,832 3,833 1,834 1,837 3,840 24,846 2,849 1,850 1,861 3,869 12.333,870 6.912,871 5.306,872 2.161,874 2.136,875 1.323,876 0.982,877 6.251,878 8.744,879 3.57,880 4.147,881 4.643,882 5.129,883 5.484,884 5.491,885 5.595,886 5.946,887 6.309,888 6.624,889 1,890 32,891 8.802,893 3.647,894 7.66,895 16.946,897 13.775,899 2.16,900 51.833,904 176.567,905 145.145,906 18.685,907 117.446,910 32.22,911 112.926,912 294.012,913 18.685,915 3.005,916 75.381,917 48.946,918 27.819,919 11.771,920 173.473,921 117.446,922 176.567,923 131.61,925 149.665,927 176.567,931 22.571,932 92.254,933 134.231,934 32.22,935 176.567,936 18.685,937 262.591,940 176.567,941 52.098,942 94.946,944 134.231,945 176.567,946 18.685,947 262.591,949 0.576,950 0.323,951 0.168,952 0.087,953 16,954 7,955 0.146,956 6,958 1,959 3.655,960 187.7,962 17,963 106.039,964 1,968 17.836,969 8.411,970 5.013,972 16.786,973 19.162,974 4.118,978 4.391,979 2.06,981 457.842,982 34.5,994 39.32,995 43.07,996 0.319,997 0.631,998 0.806,999 0.892,1000 0.928,1001 0.942,1002 4.773,1003 1.136,1004 5.595,1005 3.254,1006 4.263,1007 4.832,1008 3.274,1009 6.333,1010 4.069,1011 5.962,1012 1,1013 7.109,1014 2.544,1015 3.761,1016 4.477,1018 7.081,1019 3.359,1020 7.242,1021 0.618,1022 8.718,1023 2.275,1024 5.79,1025 6.957,1026 5.731,1027 10.134,1028 5.451,1029 8.554,1030 0.597,1031 10.383,1032 1.401,1033 6.089,1034 7.397,1036 11.727,1037 5.57,1038 9.894,1039 -0.048,1040 12.086,1041 1.372,1042 7.569,1043 9.318,1044 8.244,1045 14.295,1046 7.096,1047 11.252,1048 -0.163,1049 13.816,1050 -0.115,1051 8.249,1052 10.141,1054 16.271,1055 7.624,1056 12.625,1057 -0.514,1058 15.567,1059 -0.372,1060 9.498,1061 11.804,1062 10.761,1063 18.671,1064 8.889,1065 3.027,1066 -0.665,1067 17.336,1068 -1.242,1069 10.373,1070 12.837,1072 20.827,1073 9.635,1074 2.619,1075 10.031,1076 19.119,1077 -1.731,1078 11.523,1079 14.364,1080 13.277,1081 23.166,1082 10.77,1083 2.55,1084 7.281,1085 20.915,1086 3.93,1087 12.5,1088 15.519,1090 25.404,1091 11.636,1092 2.263,1093 7.134,1094 22.721,1095 3.614,1096 13.608,1097 16.97,1098 15.794,1099 27.722,1100 12.708,1101 2.088,1102 6.272,1103 24.537,1104 3.483,1105 14.64,1106 18.2,1108 29.996,1109 13.64,1110 1.77,1111 5.691,1112 26.36,1113 2.879,1114 15.733,1115 19.607,1116 18.311,1117 32.306,1118 14.681,1119 1.295,1120 4.847,1121 28.191,1122 2.702,1123 16.794,1124 20.883,1126 34.597,1127 15.65,1128 6063,1129 11696,1130 17.394,1131 30.324,1132 38.527,1133 41.205,1134 38.751,1135 38.432,1136 37.926,1137 50.277,1138 8.18,1139 104.204,1140 33.871,1141 5.22,1142 6.51,1143 6.083,1144 5.086,1145 5.027,1146 6.93,1147 7.04,1148 16.813,1149 4.799,1150 10.839,1151 1.482,1152 1.585,1153 1.49,1154 1.478,1155 1.459,1156 1.934,1157 0.315,1158 4.008,1159 1.303,1160 3.996,1161 4.037,1162 4.146,1163 3.946,1164 5.022,1165 3.922,1166 3.894,1167 3.924,1168 4.006,1169 3.846,1170 4.948,1171 3.835,1172 3.85,1173 3.883,1174 3.878,1175 3.68,1176 4.933,1177 3.703,1178 3.359,1179 3.392,1180 3.735,1181 3.356,1182 4.627,1183 3.273,1184 3.096,1185 3.149,1186 3.569,1187 3.007,1188 4.333,1189 2.981,1190 2.88,1191 2.925,1192 3.288,1193 2.802,1194 4.13,1195 2.772,1196 2.854,1197 2.922,1198 3.034,1199 2.735,1200 3.815,1201 2.715,1202 2.767,1203 2.811,1204 2.782,1205 2.655,1206 3.674,1207 2.629,1208 0.166,1209 0.173,1210 0.249,1211 0.152,1212 0.116,1213 4.322,1214 0.151,1215 4.51,1216 0.135,1217 6.469,1218 0.386,1219 3.96,1220 0.108,1221 3.027,1222 3.93,1223 3.52,1224 10.031,1225 2.799,1226 1.929,1227 1.913,1228 1.998,1229 1.99,1230 1.275,1231 2.012,1232 1.883,1233 1.863,1234 1.962,1235 1.949,1236 1.128,1237 1.966,1238 1.591,1239 1.535,1240 1.736,1241 1.789,1242 0.926,1243 1.784,1244 1.314,1245 1.261,1246 1.485,1247 1.526,1248 0.659,1249 1.518,1250 1.224,1251 1.176,1252 1.365,1253 1.347,1254 0.49,1255 1.406,1256 1.016,1257 0.97,1258 1.231,1259 1.178,1260 0.309,1261 1.213,1262 0.886,1263 0.824,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.868,1269 0.821,1270 1.098,1271 1.016,1272 0.169,1273 1.06,1274 3.97,1276 5.263,1277 2.398,1278 6.732,1279 4.443,1280 8.284,1281 6.26,1282 9.88,1285 18.414,1290 1.662,1293 1.833,1294 0.194,1300 27.927,1301 65.714,1302 130.141,1303 166.215,1304 183.866,1305 191.376,1306 194.131,1307 35.792,1308 6.608,1309 17.82,1310 43.12,1311 17,1312 12.126,1313 4.17,1314 3.248,1315 38.996,1316 77,1317 94,1318 0.23,1319 187.551,1320 315.2,1321 449.385,1322 5383,1323 7.7,1324 16.941,1325 0.706,1326 0.658,1327 18.795,1328 15.786,1329 11.614,1330 0.447,1331 0.368,1332 7.52,1333 10.068,1334 7.131,1335 5.86,1336 12.934,1337 9.566,1338 10.409,1339 0.297,1340 0.224,1341 12.147,1342 7.823,1343 8.295,1344 0.193,1345 0.133,1346 9.886,1347 5.729,1348 6.638,1349 0.125,1350 0.082,1351 8.415,1352 4.347,1353 4.863,1354 0.08,1355 0.049,1356 6.267,1357 3.015,1358 0.355,1359 84.865,1360 0.24,1361 23.39,1362 0.649,1363 122,1364 344.761,1365 194.365,1366 451.951,1367 580.85,1368 420,1369 139,1370 333.232,1371 194.74,1372 382.782,1373 553.54,1374 358,1375 6.738} {0 CHEMBL12340,1 1.456,2 13.515,3 4.725,4 22.326,5 125.647,6 7.288,7 0.5,8 4.195,9 4.298,10 3.74,11 3.758,12 5.314,13 3.73,14 4.722,15 4.875,16 4.06,17 4.14,18 5.816,19 4.085,20 5.007,21 5.199,22 4.135,23 4.283,24 6.03,25 4.2,26 5.096,27 5.322,28 4.095,29 4.275,30 5.994,31 4.181,32 5.061,33 5.276,34 4.11,35 4.288,36 6.033,37 4.198,38 5.116,39 5.356,40 4.071,41 4.294,42 6.07,43 4.186,44 5.057,45 5.284,46 3.966,47 4.236,48 6.043,49 4.117,50 5.041,51 5.298,52 3.789,53 4.158,54 5.936,55 4.007,56 0.071,57 0.803,58 12.594,59 6.024,60 13.162,61 7.573,62 0.21,63 1.31,64 23.143,65 9.978,66 43.255,67 12.918,68 0.455,69 1.685,70 32.832,71 12.769,72 65.227,73 16.961,74 0.45,75 1.779,76 37.742,77 13.864,78 51.673,79 18.62,80 0.36,81 1.793,82 35.429,83 13.151,84 50.789,85 17.756,86 0.372,87 1.845,88 38.494,89 14.179,90 55.732,91 19.499,92 0.335,93 1.723,94 35.868,95 13.603,96 63.767,97 18.379,98 0.463,99 1.661,100 36.644,101 13.404,102 76.766,103 18.562,104 13,105 48,106 0.234,107 0.558,108 0.753,109 0.861,110 0.892,111 0.892,112 3.531,113 0.933,114 -4.59,115 -4.51,116 -4.24,118 44.3,119 1,120 4,121 1,124 1,126 1,140 10,141 4,142 1,143 2,152 1,154 1,162 1,163 1,167 1,168 18,172 8,173 1,175 1,180 22,185 1,186 12,189 1,194 18,197 1,198 13,206 14,207 2,209 1,210 13,215 2,218 14,219 3,222 11,227 3,229 14,230 3,234 9,239 3,242 15,243 1,246 1,247 5,252 1,255 16,256 1,258 1,259 4,264 1,267 17,270 1957,271 22.551,272 22.551,273 22.551,274 22.551,275 22.551,276 19.802,277 21.089,278 13.762,279 22.848,280 17.829,281 17.829,282 17.829,283 17.829,284 17.829,285 13.892,286 19.808,287 6.594,288 18.287,289 4.475,290 2.452,291 1.237,292 0.57,293 0.373,294 0.373,295 4.231,299 1,300 1,301 959,302 4.123,306 439.377,310 167.348,313 2.165,314 28.335,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 71,326 446,327 4.387,328 4.108,329 6.521,330 4.049,331 3.063,332 4.029,333 2.69,334 10.265,335 3.021,336 4.251,337 3.631,338 6.499,339 3.982,340 3.009,341 3.73,342 2.423,343 10.176,344 2.926,345 3.801,346 3.313,347 5.527,348 3.535,349 2.555,350 3.298,351 1.485,352 7.476,353 2.502,354 3.736,355 3.274,356 5.247,357 3.27,358 2.278,359 3.035,360 0.922,361 6.4,362 2.259,363 3.572,364 2.749,365 5.152,366 3.227,367 2.257,368 2.759,369 0.555,370 6.199,371 2.166,372 3.404,373 2.497,374 4.752,375 3.064,376 2.084,377 2.592,379 5.274,380 2.028,381 3.138,382 2.361,383 4.62,384 2.814,385 1.835,386 2.351,388 4.989,389 1.79,390 3.073,391 1.988,392 4.173,393 2.674,394 1.705,395 2.195,397 3.878,398 1.648,399 2.883,400 1.817,401 4.169,402 2.505,403 1.511,404 2.001,406 3.766,407 1.5,408 2.781,409 1.745,410 3.555,411 2.301,412 1.317,413 1.908,415 2.88,416 1.294,417 2.5,418 1.441,419 3.44,420 2.001,421 1.034,422 1.5,424 2.422,425 1,426 2.5,427 1.38,428 3.413,429 2,430 1,431 1.5,433 2.33,434 0.993,435 2.234,436 1.024,437 3.247,438 1.961,439 1,440 1.19,442 2.136,443 0.956,444 2.156,445 1,446 3.247,447 1.948,448 1,449 1.119,451 2.136,452 0.942,453 1.717,454 1,455 3.035,456 1.43,457 0.51,458 0.58,460 1.153,461 0.46,462 15.633,463 0.474,464 0.661,465 0.02,466 41.75,467 1.265,468 21.5,469 0.652,470 20.25,471 0.614,472 29.818,473 0.904,474 35.367,475 0.58,476 31.831,477 0.965,478 8.366,479 0.254,480 7.731,481 0.234,482 0.075,484 0.288,487 0.718,488 1.11,489 0.801,490 1.053,491 0.7,492 0.962,493 0.803,494 1.14,495 0.921,496 1.097,497 0.52,498 1.038,499 0.904,500 1.104,501 1.05,502 1.101,503 0.819,504 1.094,505 1.115,506 0.995,507 0.99,508 0.951,509 0.545,510 0.953,511 1.032,512 1.065,513 1.045,514 1.023,515 0.654,516 1.028,517 0.949,518 0.993,519 0.962,520 0.954,521 0.829,522 0.955,523 1.019,524 1.101,525 1.1,526 1.108,527 1.177,528 1.115,529 0.938,530 0.899,531 1.064,532 0.956,533 1.214,534 1.017,535 5.5,536 0.186,537 3.111,538 1.875,539 1.249,540 0.91,541 0.748,542 0.498,543 0.295,544 0.126,545 16622,546 45055,547 2.097,548 45.9,549 7,550 13,552 2,553 1,554 5,558 1.751,559 2,560 3.686,561 -0.412,567 88.787,568 1.456,569 3.478,570 4.693,571 5.361,572 5.558,573 5.558,574 3.121,575 4.378,576 5.017,577 3.917,578 2068.13,579 8.777,580 32193.5,582 1,585 361.775,586 1.241,587 4.992,588 0.153,589 0.006,590 0.065,591 0.038,592 0.027,593 0.019,594 0.016,595 0.012,596 0.009,597 0.004,598 0.349,599 0.17,600 1,601 0.926,602 177.708,603 0.055,604 0.004,605 0.048,606 0.014,607 -0.016,608 0.024,609 0.056,610 -0.081,611 -0.017,612 -0.065,613 0.15,614 -0.054,615 0.069,616 -0.076,617 -0.096,618 -0.108,619 0.012,620 -0.122,621 -0.066,622 -0.017,623 0.006,624 0.026,625 0.004,626 0.024,627 -0.09,628 -0.033,629 -0.075,630 -0.051,631 -0.009,632 -0.059,633 -0.064,634 -0.004,635 0.021,636 0.021,637 -0.009,638 0.034,639 -0.094,640 -0.121,641 -0.124,642 -0.123,643 -0.114,644 -0.128,645 -0.059,646 0.056,647 -0.067,648 0.017,649 -0.146,650 -0.019,651 2.631,652 3.851,653 0.667,654 36.415,655 1,656 1.119,657 3.358,658 11.277,659 0.668,660 3.611,661 3.892,662 4.127,663 4.382,664 4.615,665 4.635,666 4.745,667 4.82,668 4.844,669 4.787,670 8.092,671 0.635,672 444.57,673 3.611,674 5.13,675 5.958,676 6.817,677 7.665,678 8.531,679 9.388,680 10.258,681 11.119,682 11.991,683 3.3,692 1,693 1,699 12,700 1,704 5,706 18,722 1,724 61,726 20,727 2,728 36,730 64,731 27,733 17,734 4,735 8,739 4,740 5,745 1,748 3,749 1,751 5,753 19,754 8,755 1,756 2,761 1,764 1,765 2,772 28,773 6,774 1,775 6,779 2,784 0.75,785 4,795 1,802 4,806 1,813 1,818 1,830 1,832 3,836 1,840 33,845 1,846 5,848 2,850 2,862 6.6,864 1,865 1,867 2,869 16.5,870 11.017,871 7.361,872 3.669,874 2.931,875 1.382,876 0.949,877 7.746,878 10.599,879 3.871,880 4.401,881 4.869,882 5.378,883 5.885,884 5.944,885 6.27,886 6.572,887 6.809,888 6.897,889 0.889,890 49,891 12.199,893 5.117,894 7.737,895 23.439,897 19.188,899 2.237,900 73.833,903 1,904 317.82,905 158.065,906 36.185,908 90.047,911 158.065,912 407.867,913 36.185,914 8.825,915 14.731,916 94.762,917 111.823,918 77.699,920 294.278,922 317.82,923 194.251,924 90.047,927 317.82,928 90.047,931 61.05,932 116.415,933 16.786,935 317.82,936 126.232,937 158.065,940 317.82,941 36.383,942 121.683,944 126.232,945 317.82,946 126.232,947 158.065,949 0.567,950 0.317,951 0.177,952 0.103,953 21,954 9,955 0.141,956 9,957 1,958 1.091,959 4.486,960 293.59,961 0.091,962 22,963 162.465,968 23.005,969 11.111,970 6.206,972 126.232,973 23.379,974 4.232,978 5.023,980 42.683,981 602.117,982 47,987 10.851,990 4.493,991 -0.014,994 61,995 68.232,996 0.245,997 0.586,998 0.791,999 0.904,1000 0.937,1001 0.937,1002 5.085,1003 1.705,1004 5.911,1005 4.989,1006 4.575,1007 5.088,1008 3.405,1009 6.671,1010 4.526,1011 6.253,1012 1.511,1013 7.431,1014 3.878,1015 4.007,1016 4.649,1017 2.661,1018 7.486,1019 3.947,1020 7.526,1021 1.317,1022 9.054,1023 3.766,1024 6.107,1025 7.148,1026 4.996,1027 10.59,1028 6.017,1029 8.83,1030 1.034,1031 10.743,1032 2.88,1033 6.382,1034 7.512,1035 4.661,1036 12.298,1037 6.276,1038 10.165,1039 1,1040 12.476,1041 2.422,1042 7.921,1043 9.483,1044 6.807,1045 14.902,1046 7.793,1047 11.523,1048 1,1049 14.241,1050 2.33,1051 8.613,1052 10.262,1053 6.627,1054 16.974,1055 8.466,1056 12.899,1057 1,1058 16.029,1059 2.136,1060 9.906,1061 11.974,1062 8.682,1063 19.403,1064 9.74,1065 3.063,1066 0.51,1067 17.835,1068 2.136,1069 10.81,1070 12.993,1071 8.589,1072 21.624,1073 10.625,1074 3.009,1075 10.265,1076 19.655,1077 1.153,1078 11.993,1079 14.562,1080 10.581,1081 23.989,1082 11.79,1083 2.555,1084 10.176,1085 21.485,1086 4.029,1087 13.004,1088 15.724,1089 10.556,1090 26.27,1091 12.781,1092 2.278,1093 7.476,1094 23.324,1095 3.73,1096 14.14,1097 17.211,1098 12.492,1099 28.611,1100 13.9,1101 2.257,1102 6.4,1103 25.169,1104 3.298,1105 15.201,1106 18.459,1107 12.53,1108 30.917,1109 14.942,1110 2.084,1111 6.199,1112 27.02,1113 3.035,1114 16.319,1115 19.899,1116 14.411,1117 33.247,1118 16.042,1119 1.835,1120 5.274,1121 28.875,1122 2.759,1123 17.406,1124 21.2,1125 14.511,1126 35.564,1127 17.11,1128 15823,1129 26203,1130 24.444,1131 40.728,1132 53.357,1133 55.442,1134 53.697,1135 52.734,1136 52.769,1137 68.092,1138 16.15,1139 144.111,1140 51.408,1141 5.335,1142 6.108,1143 6.322,1144 5.091,1145 5.063,1146 7.029,1147 5.255,1148 17.109,1149 5.021,1150 13.763,1151 1.482,1152 1.54,1153 1.492,1154 1.465,1155 1.466,1156 1.891,1157 0.449,1158 4.003,1159 1.428,1160 4.037,1161 4.066,1162 3.97,1163 3.967,1164 7.474,1165 3.963,1166 3.962,1167 3.989,1168 3.903,1169 3.893,1170 6.351,1171 3.891,1172 3.787,1173 3.827,1174 3.716,1175 3.7,1176 4.987,1177 3.699,1178 3.694,1179 3.738,1180 3.599,1181 3.568,1182 4.827,1183 3.565,1184 3.535,1185 3.548,1186 3.46,1187 3.284,1188 4.811,1189 3.311,1190 3.419,1191 3.472,1192 3.295,1193 3.238,1194 4.703,1195 3.252,1196 3.18,1197 3.227,1198 3.06,1199 3.037,1200 4.309,1201 3.036,1202 3.117,1203 3.186,1204 2.967,1205 2.969,1206 4.117,1207 2.956,1208 0.122,1209 0.114,1210 0.181,1211 0.112,1212 0.085,1213 4.387,1214 0.112,1215 4.108,1216 0.075,1217 6.521,1218 0.285,1219 4.049,1220 0.084,1221 3.063,1222 4.029,1223 2.69,1224 10.265,1225 3.021,1226 2.005,1227 1.979,1228 2.136,1229 2.096,1230 1.484,1231 2.11,1232 1.945,1233 1.92,1234 2.055,1235 2.04,1236 1.19,1237 2.045,1238 1.779,1239 1.743,1240 1.908,1241 1.893,1242 1.052,1243 1.902,1244 1.677,1245 1.633,1246 1.857,1247 1.835,1248 0.939,1249 1.841,1250 1.429,1251 1.386,1252 1.685,1253 1.696,1254 0.845,1255 1.669,1256 1.375,1257 1.339,1258 1.58,1259 1.598,1260 0.732,1261 1.609,1262 1.158,1263 1.112,1264 1.467,1265 1.359,1266 0.682,1267 1.393,1268 1.131,1269 1.065,1270 1.356,1271 1.333,1272 0.506,1273 1.346,1274 4.29,1276 5.58,1278 7.066,1280 8.643,1282 10.272,1284 2.007,1289 8.902,1290 3.304,1292 11.516,1294 0.143,1300 38.75,1301 88.787,1302 212.178,1303 286.291,1304 327.02,1305 339.02,1306 339.02,1307 61.469,1308 7.668,1309 81.01,1310 81.01,1311 24,1312 12.535,1313 4.392,1314 3.585,1315 54.509,1316 163,1317 158,1318 0.161,1319 237.562,1320 421.64,1321 571.412,1322 23936,1324 23.045,1325 0.698,1326 0.566,1327 23.045,1328 18.685,1329 16.097,1330 0.447,1331 0.311,1332 11.072,1333 15.559,1334 10.791,1335 8.96,1336 16.097,1337 11.194,1338 14.143,1339 0.295,1340 0.175,1341 14.143,1342 8.398,1343 11.259,1344 0.185,1345 0.096,1346 11.259,1347 5.88,1348 9.458,1349 0.12,1350 0.055,1351 9.458,1352 4.367,1353 7.875,1354 0.079,1355 0.031,1356 7.875,1357 3.108,1358 0.259,1359 100.509,1360 0.202,1361 31.109,1362 0.424,1363 168,1364 492.647,1365 182.623,1366 472.047,1367 637.3,1368 442,1369 193,1370 461.348,1371 207.514,1372 464.698,1373 668.27,1374 436,1375 4.699} {0 CHEMBL125519,1 1.682,2 14.727,3 4.852,4 23.543,5 130.333,6 8.363,7 0.514,8 4.137,9 4.228,10 3.915,11 3.77,12 5.26,13 3.714,14 4.65,15 4.787,16 4.188,17 4.14,18 5.997,19 4.057,20 4.929,21 5.118,22 4.209,23 4.279,24 6.038,25 4.158,26 4.964,27 5.158,28 4.107,29 4.236,30 6.1,31 4.117,32 4.955,33 5.164,34 4.145,35 4.227,36 6.046,37 4.105,38 4.955,39 5.176,40 4.157,41 4.232,42 6.062,43 4.1,44 4.928,45 5.158,46 3.977,47 4.176,48 5.96,49 4.043,50 4.842,51 5.059,52 3.943,53 4.073,54 5.969,55 3.96,56 0.113,57 0.782,58 12.796,59 5.782,60 23.021,61 6.642,62 0.418,63 1.243,64 21.1,65 9.577,66 78.843,67 11.627,68 0.4,69 1.568,70 37.014,71 13.791,72 76.176,73 16.295,74 0.503,75 1.599,76 37.911,77 13.757,78 96.888,79 16.147,80 0.491,81 1.596,82 35.671,83 13.039,84 90.412,85 15.924,86 0.507,87 1.61,88 36.481,89 13.528,90 77.444,91 17.302,92 0.362,93 1.538,94 34.753,95 13.334,96 67.492,97 17.134,98 0.328,99 1.376,100 30.588,101 11.774,102 61.99,103 15.09,104 31,105 47,106 0.272,107 0.597,108 0.758,109 0.861,110 0.868,111 0.868,112 3.531,113 1.061,114 -4.51,115 -4.44,116 -4.18,118 43.1,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 16,207 1,210 6,215 3,218 17,219 1,222 10,227 3,229 16,230 2,234 8,239 3,242 13,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 5,262 1,264 5,267 8,268 1,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 13.432,278 13.246,279 22.298,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 12.966,286 6.789,287 6.299,288 17.945,289 4.176,290 2.16,291 1.164,292 0.53,293 0.483,294 0.483,295 4.212,297 1,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 40.981,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71.333,326 486,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.219,363 3.555,364 2.7,365 5.128,366 3.237,367 2.232,368 2.922,370 6.124,371 2.159,372 3.53,373 2.184,374 4.73,375 3.111,376 2.124,377 2.709,379 5.184,380 2.093,381 3.086,382 1.933,383 4.659,384 2.636,385 1.671,386 2.292,388 4.759,389 1.618,390 3.046,391 1.869,392 4.148,393 2.568,394 1.609,395 2.224,397 3.814,398 1.464,399 2.721,400 1.501,401 3.564,402 2.38,403 1.4,404 1.75,406 2.947,407 1.367,408 2.5,409 1.307,410 3.526,411 2.1,412 1.133,413 1.5,415 2.52,416 1.089,417 2.5,418 1.125,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.312,436 1,437 3.282,438 1.957,439 1,440 1.274,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.832,448 0.84,449 1.074,451 1.989,452 0.829,453 1.38,454 0.696,455 2.951,456 1.2,457 0.206,458 0.227,460 0.465,461 0.203,462 16.181,463 0.49,464 0.824,465 0.025,466 43.5,467 1.318,468 24,469 0.727,470 19.5,471 0.591,472 27.382,473 0.83,474 35.419,475 0.611,476 35.189,477 1.066,478 8.495,479 0.257,480 7.353,481 0.223,482 0.127,483 0.052,484 0.216,487 0.578,488 1.166,489 0.727,490 1.087,491 0.682,492 0.905,493 0.489,494 1.076,495 0.806,496 0.991,497 0.467,498 1.018,499 0.916,500 1.043,501 1.083,502 1.079,503 0.879,504 1.022,505 1.116,506 1.082,507 1.093,508 1.088,509 1.156,510 1.082,511 0.98,512 1.007,513 0.714,514 0.856,515 1.056,516 1.003,517 0.505,518 1.023,519 0.79,520 1.022,521 0.496,522 1.039,523 0.686,524 0.988,525 0.793,526 0.964,527 0.694,528 1.008,529 0.83,530 1.06,531 0.786,532 0.969,533 0.81,534 1.039,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 55846,547 2.004,548 43.1,549 4,550 13,552 2,553 2,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.192,567 97.57,568 1.682,569 3.698,570 4.694,571 5.328,572 5.375,573 5.375,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 339.763,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.17,600 0.75,601 1.33,602 179.449,603 0.038,604 -0.033,605 0.123,606 -0.018,607 -0.113,608 0.042,609 0.255,610 0.004,612 -0.021,613 0.26,614 -0.076,615 -0.092,616 -0.034,617 -0.081,618 -0.032,619 -0.052,620 -0.021,621 -0.159,622 -0.086,623 -0.161,624 -0.088,625 -0.137,626 -0.102,627 -0.114,628 -0.016,629 0.034,630 0.052,631 -0.139,632 -0.036,633 0.151,634 -0.031,635 0.071,636 -0.067,637 0.117,638 -0.031,639 -0.001,640 -0.031,641 0.01,642 -0.03,643 0.006,644 0.005,645 -0.018,646 -0.123,647 0.007,648 -0.081,649 0.004,650 -0.048,651 4.507,652 5.397,653 0.545,654 41.971,655 1.009,656 1.115,657 3.284,658 10.783,659 0.698,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.659,672 485.04,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 3.4,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 58,726 22,727 2,728 35,730 60,731 25,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 5,756 4,760 1,761 3,763 1,765 2,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 5,847 1,861 1,862 6.9,864 1,865 3,869 17.583,870 10.043,871 7.347,872 3.4,874 2.924,875 1.4,876 0.961,877 8.929,878 10.227,879 3.892,880 4.472,881 4.929,882 5.407,883 5.91,884 6.058,885 6.313,886 6.462,887 6.692,888 6.97,889 0.9,890 47,891 12.409,893 5.415,894 8.006,895 22.987,897 18.65,899 2.506,900 82.694,904 270.735,905 159.088,906 33.191,907 39.149,908 112.141,910 5.807,911 153.281,912 422.025,913 33.191,915 12.244,916 126.451,917 153.379,918 35.888,920 247.193,921 39.149,922 270.735,923 186.471,924 112.141,925 44.956,927 247.193,928 135.683,931 46.744,932 113.466,933 71.218,935 270.735,936 145.332,937 198.237,939 5.807,940 270.735,941 30.947,942 122.334,943 16.405,944 168.075,945 270.735,946 145.332,947 198.237,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.183,956 11,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 24.817,969 11.873,970 7.623,972 145.332,973 21.26,974 4.191,978 3.598,980 59.088,981 614.304,982 48,986 -3.59,987 35.579,989 2.037,991 0.186,994 58.516,995 64.681,996 0.287,997 0.631,998 0.801,999 0.909,1000 0.918,1001 0.918,1002 5.103,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.159,1008 2.258,1009 6.691,1010 4.481,1011 6.322,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.647,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.406,1026 3.628,1027 10.837,1028 6.003,1029 9.018,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.376,1038 10.427,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 10.012,1044 5.201,1045 15.497,1046 7.839,1047 11.866,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.598,1056 13.328,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.823,1062 6.849,1063 20.369,1064 9.849,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.793,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.75,1080 8.526,1081 25.322,1082 11.956,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 10.216,1099 30.309,1100 14.116,1101 2.232,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 11.051,1108 32.808,1109 15.189,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 11.912,1117 35.314,1118 16.304,1119 1.671,1120 5.184,1121 29.988,1122 2.922,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.397,1128 16206,1129 30014,1130 22.94,1131 40.472,1132 51.442,1133 53.025,1134 52.276,1135 51.338,1136 51.047,1137 69.004,1138 4.682,1139 140.992,1140 49.163,1141 5.744,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.959,1151 1.47,1152 1.515,1153 1.494,1154 1.467,1155 1.458,1156 1.972,1157 0.134,1158 4.028,1159 1.405,1160 4.084,1161 4.077,1162 4.736,1163 4.068,1164 7.717,1165 3.993,1166 3.992,1167 4.002,1168 3.954,1169 3.95,1170 7.474,1171 3.93,1172 3.819,1173 3.857,1174 3.923,1175 3.737,1176 6.999,1177 3.734,1178 3.698,1179 3.742,1180 3.747,1181 3.58,1182 6.351,1183 3.55,1184 3.65,1185 3.659,1186 3.58,1187 3.548,1188 4.937,1189 3.507,1190 3.423,1191 3.442,1192 3.348,1193 3.292,1194 4.913,1195 3.283,1196 3.271,1197 3.305,1198 3.19,1199 3.1,1200 4.719,1201 3.09,1202 2.999,1203 3.039,1204 3.116,1205 2.806,1206 4.27,1207 2.815,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.093,1229 2.067,1230 1.3,1231 2.087,1232 1.949,1233 1.951,1234 1.965,1235 2.011,1236 1.234,1237 2.046,1238 1.812,1239 1.777,1240 1.946,1241 1.921,1242 1.146,1243 1.933,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.027,1249 1.868,1250 1.54,1251 1.53,1252 1.699,1253 1.714,1254 0.866,1255 1.738,1256 1.352,1257 1.338,1258 1.51,1259 1.538,1260 0.667,1261 1.538,1262 1.212,1263 1.182,1264 1.21,1265 1.397,1266 0.52,1267 1.433,1268 0.947,1269 0.906,1270 1.181,1271 1.181,1272 0.325,1273 1.181,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1285 5.822,1289 8.861,1290 2.139,1291 2.611,1300 38.238,1301 97.57,1302 214.464,1303 272.279,1304 309.008,1305 311.763,1306 311.763,1307 88.734,1308 7.302,1309 96.36,1310 104.74,1311 18,1312 12.417,1313 4.524,1314 3.807,1315 64.462,1316 172,1317 168,1318 0.18,1319 245.235,1320 433.12,1321 590.133,1322 15053,1323 1.7,1324 23.684,1325 0.718,1326 0.591,1327 24.434,1328 19.519,1329 15.848,1330 0.453,1331 0.354,1332 10.586,1333 14.351,1334 10.206,1335 8.464,1336 16.958,1337 12.38,1338 14.359,1339 0.306,1340 0.205,1341 16.09,1342 9.647,1343 10.876,1344 0.194,1345 0.12,1346 12.272,1347 6.739,1348 8.348,1349 0.126,1350 0.068,1351 9.37,1352 4.46,1353 6.556,1354 0.082,1355 0.04,1356 7.514,1357 3.193,1358 0.293,1359 109.557,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 518.398,1365 227.911,1366 554.304,1367 723.74,1368 508,1369 185,1370 460.182,1371 247.974,1372 514.129,1373 736.56,1374 482,1375 6.31} {0 CHEMBL126185,1 1.745,2 15.429,3 4.717,4 22.251,5 139.328,6 8.485,7 0.605,8 4.192,9 4.302,10 3.987,11 3.805,12 5.304,13 3.758,14 4.701,15 4.853,16 4.253,17 4.181,18 5.963,19 4.107,20 4.937,21 5.137,22 4.238,23 4.305,24 5.989,25 4.184,26 4.991,27 5.195,28 4.144,29 4.272,30 6.084,31 4.154,32 4.995,33 5.216,34 4.181,35 4.267,36 6.025,37 4.144,38 4.996,39 5.227,40 4.194,41 4.27,42 6.068,43 4.14,44 4.962,45 5.2,46 4.011,47 4.214,48 5.941,49 4.08,50 4.867,51 5.097,52 4.004,53 4.133,54 5.866,55 4.019,56 0.166,57 0.934,58 12.835,59 5.599,60 20.645,61 6.599,62 0.402,63 1.43,64 21.414,65 9.377,66 59.438,67 11.552,68 0.337,69 1.659,70 36.455,71 13.461,72 53.656,73 16.392,74 0.482,75 1.711,76 37.86,77 13.394,78 78.123,79 16.058,80 0.479,81 1.722,82 36.316,83 12.874,84 73.133,85 16.157,86 0.519,87 1.72,88 37.394,89 13.479,90 72.681,91 17.54,92 0.376,93 1.628,94 35.738,95 13.353,96 60.952,97 17.473,98 0.319,99 1.514,100 30.821,101 11.483,102 51.986,103 15.33,104 10,105 51,106 0.278,107 0.603,108 0.762,109 0.859,110 0.867,111 0.867,112 3.588,113 1.03,114 -5.37,115 -5.26,116 -4.91,118 41.7,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,147 1,162 1,165 2,168 17,171 3,172 4,175 3,177 1,180 22,186 9,191 4,194 22,198 11,203 5,206 16,210 8,215 3,218 17,222 12,227 3,229 16,234 11,239 2,242 13,247 11,252 4,255 12,258 2,259 11,264 5,267 8,270 2598,271 23.783,272 23.783,273 23.783,274 23.783,275 23.783,276 20.49,277 13.928,278 14.399,279 24.231,280 18.776,281 18.776,282 18.776,283 18.776,284 18.776,285 13.91,286 6.367,287 6.848,288 19.562,289 4.162,290 2.122,291 1.125,292 0.513,293 0.467,294 0.467,295 4.283,297 1,300 1,301 1161,302 4.359,305 128.006,306 426.45,313 2.392,314 34.017,317 0.75,318 0.67,319 0.67,320 0.5,321 0.5,322 0.67,323 0.5,324 0.61,325 75.333,326 540,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,334 12.404,335 3.063,336 4.38,337 3.04,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.92,346 2.898,347 5.415,348 3.517,349 2.542,350 3.479,352 7.106,353 2.512,354 3.908,355 2.736,356 5.352,357 3.492,358 2.519,359 3.47,361 6.997,362 2.417,363 3.834,364 2.698,365 5.154,366 3.311,367 2.399,368 3.393,370 6.321,371 2.159,372 3.536,373 2.183,374 5.128,375 3.112,376 2.126,377 2.921,379 6.124,380 2.095,381 3.087,382 1.923,383 4.73,384 2.687,385 1.7,386 2.293,388 4.759,389 1.679,390 3.051,391 1.861,392 4.156,393 2.58,394 1.638,395 2.228,397 3.86,398 1.478,399 2.787,400 1.52,401 3.675,402 2.456,403 1.478,404 1.854,406 3.158,407 1.434,408 2.637,409 1.363,410 3.527,411 2.199,412 1.21,413 1.653,415 2.669,416 1.195,417 2.5,418 1.307,419 3.467,420 2.09,421 1.123,422 1.5,424 2.488,425 1.08,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.296,445 1,446 3.247,447 1.956,448 1,449 1.262,451 2.136,452 0.954,453 2.152,454 0.834,455 3.218,456 1.777,457 0.793,458 1.033,460 1.891,461 0.779,462 17.114,463 0.489,464 0.748,465 0.021,466 47.5,467 1.357,468 26.5,469 0.757,470 21,471 0.6,472 28.954,473 0.827,474 36.886,475 0.615,476 37.04,477 1.058,478 9.243,479 0.264,480 7.767,481 0.222,482 0.081,483 0.049,484 0.205,487 0.455,488 1.054,489 0.703,490 1.068,491 0.622,492 0.888,493 0.574,494 1.002,495 0.809,496 0.979,497 0.556,498 1,499 0.882,500 1.005,501 1.082,502 1.127,503 0.861,504 1.046,505 1.235,506 1.028,507 1.124,508 1.127,509 1.381,510 1.118,511 1.054,512 0.949,513 0.733,514 0.877,515 1.233,516 1.025,517 0.561,518 0.959,519 0.816,520 1.041,521 0.526,522 1.058,523 0.761,524 0.95,525 0.809,526 0.971,527 0.832,528 1.017,529 0.771,530 1.106,531 0.773,532 0.948,533 0.787,534 1.023,535 6.5,536 0.249,537 4,538 1.91,539 1.081,540 0.858,541 0.62,542 0.47,543 0.245,544 0.187,545 20929,546 66862,547 2.085,548 41.7,549 4,550 13,552 2,553 2,554 2,555 2,558 1.765,559 1.991,560 3.86,561 0.219,567 104.711,568 1.745,569 3.785,570 4.782,571 5.394,572 5.44,573 5.44,574 3.378,575 4.536,576 5.097,577 4.093,578 2435.08,579 8.94,580 41023.5,585 354.413,586 1.288,587 5.073,588 0.171,589 0.007,590 0.078,591 0.039,592 0.024,593 0.019,594 0.014,595 0.011,596 0.006,597 0.005,598 0.375,599 0.17,600 0.75,601 0.45,602 194.147,603 0.196,604 0.128,605 0.137,606 -0.017,607 -0.083,608 0.033,609 0.247,610 0.085,611 -0.004,612 -0.011,613 0.257,614 -0.069,615 -0.067,616 -0.027,617 -0.07,618 -0.051,619 -0.003,620 -0.023,621 -0.197,622 -0.061,623 -0.185,624 -0.108,625 -0.158,626 -0.128,627 -0.135,628 0.004,629 0.026,630 0.048,631 -0.175,632 -0.043,633 0.166,634 -0.015,635 0.06,636 -0.065,637 0.173,638 -0.034,639 -0.013,640 -0.046,641 0.012,642 -0.008,643 -0.007,644 0.019,645 -0.015,646 -0.187,647 0.025,648 -0.043,649 -0.035,650 -0.013,651 4.49,652 5.454,653 0.657,654 47.479,655 1.008,656 1.124,657 4.143,658 17.167,659 0.701,660 3.664,661 3.951,662 4.159,663 4.331,664 4.466,665 4.489,666 4.533,667 4.575,668 4.654,669 4.762,670 9.016,671 0.664,672 509.08,673 3.664,674 5.187,675 6.009,676 6.86,677 7.696,678 8.551,679 9.392,680 10.25,681 11.095,682 11.954,683 10,685 1,691 1,693 4,699 12,700 4,701 1,704 6,706 23,723 1,724 60,726 26,727 2,728 38,730 63,731 25,733 18,734 4,735 8,736 2,739 4,740 4,741 1,751 4,753 20,754 5,756 3,760 1,761 2,763 1,765 1,772 25,773 7,774 2,775 10,776 2,779 6,784 1,785 2,795 1,801 1,802 3,822 1,823 1,832 4,834 1,837 1,840 35,844 1,846 5,847 1,861 1,862 3.3,865 2,869 17.583,870 10.526,871 7.764,872 3.548,874 3.217,875 1.426,876 0.996,877 8.513,878 10.763,879 3.98,880 4.572,881 5.073,882 5.559,883 5.967,884 6.107,885 6.358,886 6.525,887 6.81,888 7.144,889 1,890 49,891 13.095,893 5.688,894 7.82,895 24.565,897 19.999,899 2.32,900 81.194,904 270.735,905 160.506,906 99.598,907 39.149,908 44.313,910 5.807,911 154.699,912 354.197,913 99.598,915 12.244,916 126.451,917 134.507,918 54.757,920 247.193,921 39.149,922 270.735,923 254.296,924 44.313,925 44.956,927 249.521,928 67.855,931 63.284,932 112.556,933 121.084,935 270.735,936 143.91,937 199.655,939 5.807,940 270.735,941 32.365,942 122.334,943 32.945,944 150.114,945 270.735,946 143.91,947 199.655,949 0.573,950 0.324,951 0.165,952 0.084,953 22,954 9,955 0.175,956 11,958 1,959 4.768,960 307.779,962 23,963 169.525,967 1,968 24.902,969 11.966,970 7.14,972 127.37,973 21.84,974 15.822,975 2.492,978 4.546,980 32.945,981 614.301,982 52.5,986 -3.574,987 24.907,989 2.201,991 1.098,994 60.502,995 67.425,996 0.295,997 0.641,998 0.81,999 0.913,1000 0.921,1001 0.921,1002 5.186,1003 1.638,1004 5.984,1005 4.759,1006 4.635,1007 5.26,1009 6.765,1010 4.556,1011 6.398,1012 1.478,1013 7.529,1014 3.86,1015 4.205,1016 5.112,1018 7.874,1019 4.008,1020 7.716,1021 1.21,1022 9.194,1023 3.158,1024 6.236,1025 7.506,1027 10.883,1028 6.065,1029 9.082,1030 1.123,1031 10.94,1032 2.669,1033 6.698,1034 8.249,1036 12.906,1037 6.4,1038 10.488,1039 1,1040 12.742,1041 2.488,1042 8.179,1043 10.093,1045 15.518,1046 7.888,1047 11.923,1048 1,1049 14.586,1050 2.275,1051 9.041,1052 11.241,1054 17.856,1055 8.628,1056 13.382,1057 1,1058 16.46,1059 2.275,1060 10.321,1061 12.88,1063 20.377,1064 9.886,1065 3.374,1066 0.793,1067 18.356,1068 2.136,1069 11.366,1070 14.224,1072 22.821,1073 10.82,1074 3.016,1075 12.404,1076 20.27,1077 1.891,1078 12.578,1079 15.787,1081 25.324,1082 11.984,1083 2.542,1084 10.18,1085 22.198,1086 4.697,1087 13.705,1088 17.228,1090 27.807,1091 13.009,1092 2.519,1093 7.106,1094 24.136,1095 3.968,1096 14.898,1097 18.766,1099 30.31,1100 14.136,1101 2.399,1102 6.997,1103 26.083,1104 3.479,1105 16.063,1106 20.256,1108 32.808,1109 15.205,1110 2.126,1111 6.321,1112 28.036,1113 3.47,1114 17.255,1115 21.789,1117 35.315,1118 16.318,1119 1.7,1120 6.124,1121 29.995,1122 3.393,1123 18.439,1124 23.304,1126 37.821,1127 17.408,1128 19812,1129 35676,1130 25.712,1131 42.063,1132 55.889,1133 56.767,1134 56.023,1135 55.762,1136 55.465,1137 75.801,1139 152.939,1140 53.297,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1148 19.555,1149 5.063,1150 14.26,1151 1.471,1152 1.494,1153 1.474,1154 1.467,1155 1.46,1156 1.995,1158 4.025,1159 1.403,1160 4.085,1161 4.081,1162 4.736,1163 4.069,1164 7.717,1165 3.994,1166 3.994,1167 4.005,1168 3.957,1169 3.95,1170 6.999,1171 3.93,1172 3.844,1173 3.929,1174 3.923,1175 3.737,1176 5.257,1177 3.735,1178 3.812,1179 3.855,1180 3.795,1181 3.601,1182 4.936,1183 3.619,1184 3.655,1185 3.671,1186 3.745,1187 3.576,1188 4.913,1189 3.513,1190 3.551,1191 3.614,1192 3.441,1193 3.363,1194 4.719,1195 3.377,1196 3.336,1197 3.373,1198 3.236,1199 3.18,1200 4.27,1201 3.169,1202 3.125,1203 3.192,1204 3.146,1205 2.952,1206 4.244,1207 2.952,1208 0.127,1209 0.123,1210 0.192,1211 0.113,1212 0.089,1213 4.844,1214 0.124,1215 4.683,1217 7.293,1218 0.326,1219 4.291,1220 0.081,1221 3.374,1222 4.697,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.093,1229 2.067,1230 1.303,1231 2.087,1232 1.949,1233 1.951,1234 1.965,1235 2.011,1236 1.238,1237 2.046,1238 1.812,1239 1.777,1240 1.946,1241 1.92,1242 1.147,1243 1.933,1244 1.685,1245 1.628,1246 1.889,1247 1.85,1248 1.031,1249 1.868,1250 1.541,1251 1.53,1252 1.699,1253 1.713,1254 0.866,1255 1.738,1256 1.363,1257 1.337,1258 1.515,1259 1.621,1260 0.692,1261 1.559,1262 1.223,1263 1.182,1264 1.252,1265 1.513,1266 0.523,1267 1.498,1268 1.075,1269 0.944,1270 1.193,1271 1.391,1272 0.339,1273 1.426,1274 4.344,1276 5.638,1277 2.398,1278 7.119,1279 4.443,1280 8.681,1281 6.26,1282 10.286,1285 5.846,1290 3.371,1291 2.645,1300 39.841,1301 104.711,1302 227.114,1303 286.929,1304 323.659,1305 326.413,1306 326.413,1307 71.79,1308 7.546,1309 113.52,1310 121.9,1311 23,1312 12.508,1313 4.755,1314 3.954,1315 59.67,1316 188,1317 192,1318 0.148,1319 254.099,1320 433.64,1321 611.761,1322 21039,1323 1.7,1324 24.512,1325 0.7,1326 0.586,1327 25.262,1328 20.505,1329 17.01,1330 0.448,1331 0.343,1332 11.224,1333 15.387,1334 10.852,1335 9.01,1336 18.12,1337 13.047,1338 15.115,1339 0.296,1340 0.198,1341 16.847,1342 10.082,1343 12.181,1344 0.193,1345 0.113,1346 13.577,1347 7.138,1348 9.528,1349 0.127,1350 0.063,1351 10.549,1352 4.755,1353 7.084,1354 0.082,1355 0.039,1356 8.042,1357 3.353,1358 0.241,1359 117.281,1360 0.197,1361 33.109,1362 0.383,1363 178,1364 541.781,1365 243.866,1366 582.871,1367 780.83,1368 538,1369 203,1370 526.81,1371 269.977,1372 579.228,1373 827.91,1374 543,1375 7.678} {0 CHEMBL126196,1 1.725,2 14.784,3 4.455,4 19.85,5 143.685,6 8.34,7 0.462,8 4.251,9 4.348,10 4.009,11 3.852,12 5.41,13 3.806,14 4.767,15 4.91,16 4.318,17 4.23,18 6.119,19 4.155,20 5.053,21 5.23,22 4.379,23 4.403,24 6.204,25 4.29,26 5.154,27 5.346,28 4.366,29 4.405,30 6.309,31 4.303,32 5.173,33 5.365,34 4.422,35 4.431,36 6.502,37 4.335,38 5.213,39 5.426,40 4.389,41 4.465,42 6.379,43 4.351,44 5.202,45 5.432,46 4.276,47 4.418,48 6.312,49 4.299,50 5.116,51 5.337,52 4.195,53 4.293,54 6.301,55 4.183,56 0.145,57 0.907,58 14.109,59 6.34,60 29.661,61 7.299,62 0.523,63 1.426,64 23.348,65 10.484,66 89.091,67 12.767,68 0.599,69 1.806,70 42.619,71 15.514,72 100.318,73 17.774,74 0.75,75 1.925,76 46.634,77 16.072,78 140.09,79 18.791,80 0.941,81 1.975,82 44.471,83 15.732,84 190.769,85 18.919,86 0.759,87 2.058,88 45.388,89 16.712,90 118.43,91 21.219,92 0.557,93 2.007,94 44.055,95 16.767,96 98.348,97 21.795,98 0.62,99 1.763,100 43.002,101 14.866,102 106.894,103 18.99,104 61,105 53,106 0.272,107 0.612,108 0.776,109 0.866,110 0.872,111 0.872,112 3.642,113 1.034,114 -3.74,115 -3.71,116 -3.53,118 41.5,120 4,124 2,133 1,134 1,140 10,141 3,142 2,143 2,154 2,159 1,160 1,161 1,163 1,167 1,168 17,169 1,171 3,172 4,174 1,175 2,177 1,180 22,181 1,185 1,186 10,188 1,189 1,191 1,194 22,195 1,198 13,203 1,206 16,207 1,209 2,210 9,212 2,213 2,215 2,218 17,219 1,220 1,222 15,227 4,229 16,230 2,232 3,234 13,239 6,242 13,243 3,245 4,247 10,248 1,252 5,255 12,256 3,257 2,258 1,259 9,262 1,264 5,267 8,268 1,269 2,270 2732,271 24.308,272 24.308,273 24.308,274 24.308,275 24.308,276 21.244,277 18.036,278 14.624,279 24.687,280 19.246,281 19.246,282 19.246,283 19.246,284 19.246,285 14.654,286 13.053,287 6.959,288 19.927,289 4.298,290 2.14,291 1.1,292 0.535,293 0.492,294 0.492,295 4.32,297 1,300 1,301 1131,302 5.244,306 462.177,313 2.053,314 55.636,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 80.833,326 547,327 4.932,328 4.726,329 7.667,330 4.435,331 3.512,332 4.759,333 2.341,334 13.621,335 3.215,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 1.936,343 10.18,344 3.011,345 3.912,346 3.537,347 5.635,348 3.526,349 2.536,350 3.471,351 0.444,352 7.189,353 2.515,354 3.857,355 3.04,356 5.407,357 3.395,358 2.451,359 3.411,361 6.882,362 2.311,363 3.575,364 2.904,365 5.133,366 3.237,367 2.237,368 2.923,370 6.134,371 2.219,372 3.553,373 2.726,374 5.023,375 3.204,376 2.232,377 2.736,379 5.944,380 2.125,381 3.525,382 2.413,383 4.659,384 3.109,385 2.118,386 2.709,388 5.184,389 2.093,390 3.14,391 2.164,392 4.63,393 2.734,394 1.787,395 2.336,397 4.768,398 1.645,399 3.046,400 1.903,401 4.158,402 2.608,403 1.62,404 2.224,406 3.829,407 1.569,408 2.724,409 1.539,410 4.071,411 2.381,412 1.401,413 1.753,415 3.477,416 1.367,417 2.672,418 1.478,419 3.564,420 2.257,421 1.297,422 1.633,424 2.946,425 1.22,426 2.5,427 1.134,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.315,447 1.957,448 1,449 1.5,451 2.136,452 0.954,453 2.234,454 1,455 3.247,456 1.866,457 0.873,458 1.119,460 2.072,461 0.863,462 17.914,463 0.484,464 1.009,465 0.027,466 47.75,467 1.291,468 25.5,469 0.689,470 22.25,471 0.601,472 33.292,473 0.9,474 40.286,475 0.62,476 43.015,477 1.163,478 9.488,479 0.256,480 8.175,481 0.221,482 0.155,483 0.047,484 0.246,487 0.61,488 1.225,489 0.732,490 1.104,491 0.689,492 0.92,493 0.506,494 1.058,495 0.759,496 0.944,497 0.47,498 0.984,499 0.945,500 1.049,501 1.218,502 1.181,503 0.936,504 1.066,505 1.136,506 1.058,507 1.075,508 1.093,509 1.199,510 1.034,511 0.929,512 1.009,513 0.801,514 0.927,515 0.978,516 1.009,517 0.691,518 1.03,519 0.814,520 1.011,521 0.719,522 1.054,523 0.7,524 1.04,525 0.74,526 0.961,527 0.711,528 1.007,529 0.968,530 1.039,531 0.948,532 0.98,533 0.933,534 1.049,535 8.5,536 0.334,537 4.667,538 2.563,539 1.836,540 1.139,541 0.931,542 0.707,543 0.468,544 0.339,545 20833,546 72353,547 1.973,548 43.1,549 4,550 15,552 2,553 3,554 2,555 2,558 1.782,559 1.827,560 3.789,561 0.809,567 112.101,568 1.725,569 3.882,570 4.923,571 5.488,572 5.53,573 5.53,574 3.167,575 4.649,576 5.18,577 4.011,578 2671.32,579 9.122,580 45535.8,585 391.454,586 1.571,587 5.121,588 0.218,589 0.01,590 0.088,591 0.047,592 0.034,593 0.02,594 0.017,595 0.014,596 0.01,597 0.009,598 0.466,599 0.33,600 0.75,601 1.473,602 206.357,603 0.01,604 -0.043,605 0.112,606 -0.014,607 -0.11,608 0.04,609 0.235,610 0.052,611 0.055,612 0.043,613 0.227,614 -0.031,615 -0.084,616 0.003,617 -0.135,618 -0.057,619 -0.073,620 -0.059,621 -0.151,622 -0.055,623 -0.098,624 -0.052,625 -0.158,626 -0.045,627 0.027,628 0.003,629 0.001,630 0.024,631 0.054,632 -0.047,633 0.053,634 -0.041,635 0.02,636 -0.064,637 0.028,638 -0.053,639 0.004,640 -0.082,641 0.051,642 -0.033,643 0.013,644 0.008,645 -0.077,646 -0.105,647 -0.037,648 -0.077,649 -0.054,650 -0.054,651 4.86,652 6.093,653 0.486,654 45.572,655 1.013,656 1.12,657 2.513,658 6.314,659 0.688,660 3.689,661 3.989,662 4.174,663 4.357,664 4.564,665 4.575,666 4.654,667 4.691,668 4.745,669 4.796,670 8.675,671 0.654,672 542.1,673 3.689,674 5.22,675 6.038,676 6.899,677 7.743,678 8.61,679 9.467,680 10.338,681 11.202,682 12.076,683 4.6,686 1,690 1,693 1,699 12,700 1,704 5,706 18,723 1,724 65,726 23,727 2,728 39,730 67,731 27,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 21,754 6,756 5,760 1,761 4,763 1,765 3,772 28,773 8,774 3,775 10,776 2,779 3,784 1,785 5,795 1,802 3,815 1,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 37,841 1,844 1,845 1,846 6,851 1,861 1,862 7.7,864 1,865 4,869 20.25,870 11.243,871 8.222,872 3.716,874 2.835,875 1.379,876 0.954,877 10.272,878 10.311,879 3.989,880 4.559,881 5.006,882 5.476,883 5.987,884 6.127,885 6.412,886 6.593,887 6.85,888 7.114,889 0.9,890 55,891 14.018,893 6.23,894 8.104,895 25.53,897 20.679,899 2.604,900 96.361,904 294.278,905 165.899,906 51.201,907 39.149,908 137.286,910 5.807,911 160.091,912 470.712,913 51.201,915 47.247,916 110.046,917 183.228,918 37.407,920 270.735,921 39.149,922 294.278,923 211.293,924 137.286,925 44.956,927 270.735,928 160.828,931 66.86,932 118.171,933 71.218,935 294.278,936 188.487,937 205.047,939 5.807,940 294.278,941 37.758,942 123.852,944 226.118,945 294.278,946 188.487,947 205.047,949 0.576,950 0.313,951 0.16,952 0.093,953 21,954 11,955 0.194,956 13,958 1,959 4.639,960 334.448,962 18,963 182.75,967 1,968 28.39,969 13.387,970 8.427,972 188.487,973 20.598,974 4.188,978 3.146,980 75.581,981 687.812,982 53,986 -3.944,987 48.633,989 2.002,991 -0.642,994 65.829,995 72.804,996 0.286,997 0.645,998 0.817,999 0.911,1000 0.918,1001 0.918,1002 5.212,1003 1.787,1004 6.038,1005 5.184,1006 4.673,1007 5.247,1008 2.782,1009 6.849,1010 4.604,1011 6.433,1012 1.62,1013 7.608,1014 4.768,1015 4.369,1016 5.207,1017 2.591,1018 8.044,1019 4.209,1020 7.759,1021 1.401,1022 9.303,1023 3.829,1024 6.297,1025 7.472,1026 4.034,1027 11.105,1028 6.141,1029 9.129,1030 1.297,1031 11.083,1032 3.477,1033 6.836,1034 8.276,1035 4.401,1036 13.237,1037 6.567,1038 10.539,1039 1,1040 12.924,1041 2.946,1042 8.288,1043 10.076,1044 5.497,1045 15.942,1046 8.007,1047 11.981,1048 1,1049 14.81,1050 2.275,1051 9.216,1052 11.27,1053 6.107,1054 18.393,1055 8.815,1056 13.449,1057 1,1058 16.732,1059 2.275,1060 10.506,1061 12.903,1062 7.057,1063 21.017,1064 10.065,1065 3.512,1066 0.873,1067 18.679,1068 2.136,1069 11.61,1070 14.284,1071 7.784,1072 23.57,1073 11.056,1074 3.016,1075 13.621,1076 20.647,1077 2.072,1078 12.852,1079 15.856,1080 8.67,1081 26.178,1082 12.234,1083 2.536,1084 10.18,1085 22.63,1086 4.759,1087 14.034,1088 17.326,1089 9.456,1090 28.766,1091 13.31,1092 2.451,1093 7.189,1094 24.624,1095 3.968,1096 15.268,1097 18.879,1098 10.316,1099 31.372,1100 14.464,1101 2.237,1102 6.882,1103 26.628,1104 3.471,1105 16.484,1106 20.393,1107 11.131,1108 33.973,1109 15.579,1110 2.232,1111 6.134,1112 28.638,1113 3.411,1114 17.721,1115 21.942,1116 11.981,1117 36.58,1118 16.727,1119 2.118,1120 5.944,1121 30.654,1122 2.923,1123 18.953,1124 23.476,1125 12.811,1126 39.186,1127 17.861,1128 20628,1129 38663,1130 25.137,1131 44.693,1132 58.012,1133 59.654,1134 59.097,1135 57.765,1136 57.468,1137 76.547,1138 9.442,1139 160.911,1140 55.499,1141 5.835,1142 6.726,1143 7.469,1144 5.487,1145 5.512,1146 7.759,1147 3.925,1148 21.612,1149 5.215,1150 22.509,1151 1.487,1152 1.53,1153 1.515,1154 1.481,1155 1.474,1156 1.963,1157 0.242,1158 4.126,1159 1.423,1160 4.1,1161 4.092,1162 4.742,1163 4.08,1164 7.715,1165 4.004,1166 3.993,1167 4.006,1168 3.955,1169 3.95,1170 7.474,1171 3.932,1172 3.821,1173 3.859,1174 3.925,1175 3.738,1176 7.436,1177 3.736,1178 3.709,1179 3.747,1180 3.747,1181 3.608,1182 6.999,1183 3.572,1184 3.691,1185 3.727,1186 3.58,1187 3.55,1188 6.351,1189 3.542,1190 3.468,1191 3.481,1192 3.489,1193 3.305,1194 4.938,1195 3.285,1196 3.42,1197 3.439,1198 3.332,1199 3.236,1200 4.913,1201 3.249,1202 3.263,1203 3.303,1204 3.174,1205 3.08,1206 4.881,1207 3.078,1208 0.126,1209 0.121,1210 0.197,1211 0.114,1212 0.09,1213 4.932,1214 0.122,1215 4.726,1216 0.06,1217 7.667,1218 0.349,1219 4.435,1220 0.082,1221 3.512,1222 4.759,1223 2.341,1224 13.621,1225 3.215,1226 1.995,1227 1.984,1228 2.094,1229 2.071,1230 1.311,1231 2.093,1232 1.954,1233 1.954,1234 1.968,1235 2.023,1236 1.258,1237 2.051,1238 1.813,1239 1.779,1240 1.946,1241 1.922,1242 1.156,1243 1.935,1244 1.681,1245 1.633,1246 1.889,1247 1.856,1248 1.035,1249 1.868,1250 1.619,1251 1.593,1252 1.757,1253 1.811,1254 0.915,1255 1.81,1256 1.377,1257 1.341,1258 1.584,1259 1.598,1260 0.751,1261 1.593,1262 1.287,1263 1.291,1264 1.492,1265 1.522,1266 0.648,1267 1.519,1268 1.212,1269 1.175,1270 1.203,1271 1.395,1272 0.433,1273 1.432,1274 4.369,1276 5.673,1278 7.163,1280 8.74,1282 10.368,1285 5.875,1288 5.326,1289 8.904,1290 1.209,1295 1.065,1300 42.501,1301 112.101,1302 252.354,1303 319.97,1304 356.699,1305 359.454,1306 359.454,1307 122.651,1308 7.476,1309 130.66,1310 139.04,1311 18,1312 12.618,1313 4.585,1314 3.907,1315 77.061,1316 196,1317 188,1318 0.19,1319 272.283,1320 484.87,1321 656.13,1322 17822,1323 1.5,1324 26.838,1325 0.725,1326 0.585,1327 27.588,1328 21.659,1329 17.663,1330 0.453,1331 0.345,1332 11.654,1333 16.031,1334 11.253,1335 9.316,1336 18.74,1337 13.441,1338 16.203,1339 0.306,1340 0.202,1341 17.93,1342 10.726,1343 12.121,1344 0.189,1345 0.121,1346 13.737,1347 7.726,1348 9.393,1349 0.122,1350 0.069,1351 10.679,1352 5.276,1353 7.661,1354 0.081,1355 0.04,1356 8.956,1357 3.8,1358 0.305,1359 121.112,1360 0.199,1361 34.102,1362 0.504,1363 184,1364 606.758,1365 255.186,1366 636.477,1367 825.78,1368 582,1369 209,1370 526.157,1371 279.667,1372 581.433,1373 834.75,1374 544,1375 8.301} {0 CHEMBL1262,1 1.8,2 10.346,3 5.926,4 35.122,5 106.097,6 11.004,7 0.607,8 3.787,9 3.867,10 3.683,11 3.447,12 4.998,13 3.421,14 4.261,15 4.382,16 4.077,17 3.826,18 5.448,19 3.778,20 4.463,21 4.603,22 4.154,23 3.929,24 5.626,25 3.832,26 4.483,27 4.641,28 4.281,29 3.801,30 5.732,31 3.716,32 4.348,33 4.523,34 3.922,35 3.611,36 5.525,37 3.581,38 4.339,39 4.498,40 3.995,41 3.732,42 5.507,43 3.678,44 4.384,45 4.53,46 4.031,47 3.849,48 5.549,49 3.743,50 4.407,51 4.608,52 3.977,53 3.834,54 5.461,55 3.704,56 0.143,57 0.508,58 1.966,59 2.701,60 7.776,61 3.125,62 0.308,63 0.806,64 6.352,65 4.78,66 15.075,67 4.996,68 0.439,69 0.894,70 17.706,71 6.91,72 31.867,73 7.545,74 0.738,75 0.873,76 31.561,77 7.831,78 52.614,79 8.038,80 0.592,81 0.842,82 19.868,83 6.286,84 40.374,85 6.231,86 0.552,87 0.817,88 15.569,89 6.049,90 34.596,91 6.115,92 0.495,93 0.81,94 19.014,95 6.646,96 34.694,97 7.638,98 0.412,99 0.858,100 20.469,101 7.471,102 30.924,103 9.222,104 17,105 38,106 0.318,107 0.626,108 0.782,109 0.88,110 0.907,111 0.916,112 3.304,113 0.973,114 -6.06,115 -5.91,116 -5.49,118 46.2,124 2,140 6,141 2,142 4,143 1,149 1,153 1,156 1,162 1,168 4,171 1,172 2,180 14,185 1,186 5,194 6,197 1,198 9,206 6,209 1,210 10,218 1,221 1,222 4,229 2,234 7,242 7,247 4,255 6,259 2,267 11,270 1170,271 17.361,272 17.361,273 17.361,274 17.361,275 17.361,276 14.861,277 16.38,278 10.348,279 18.128,280 13.815,281 13.815,282 13.815,283 13.815,284 13.815,285 10.226,286 17.474,287 4.93,288 15.234,289 3.485,290 1.745,291 0.859,292 0.308,293 0.154,294 0.103,295 3.982,297 4,300 1,301 570,302 3.24,305 83.388,306 195.413,313 1.32,314 24.504,317 0.75,318 0.83,319 1,320 0.4,322 1,323 1,324 0.71,325 55.833,326 269,327 4.387,328 4.024,329 6.468,330 3.977,331 3.025,332 4.018,333 2.499,334 10.029,335 2.866,336 4.228,337 3.291,338 6.057,339 3.783,340 2.852,341 3.879,342 0.871,343 8.701,344 2.622,345 3.941,346 3.22,347 5.462,348 3.465,349 2.555,350 3.495,351 0.311,352 7.253,353 2.309,354 3.678,355 2.862,356 5.14,357 3.165,358 2.264,359 3.068,361 6.28,362 1.99,363 3.465,364 2.737,365 4.96,366 3.008,367 2.13,368 2.778,370 5.822,371 1.79,372 3.207,373 2.654,374 4.71,375 2.676,376 1.816,377 2.406,379 4.901,380 1.483,381 2.86,382 2.276,383 4.189,384 2.404,385 1.524,386 1.99,388 3.825,389 1.261,390 2.747,391 2.013,392 3.973,393 2.257,394 1.309,395 1.837,397 3.287,398 1.195,399 2.602,400 1.47,401 3.497,402 2.149,403 1.22,404 1.626,406 2.678,407 1.125,408 2.146,409 1.181,410 3.304,411 1.83,412 0.909,413 1.094,415 2.103,416 0.816,417 2.118,418 0.982,419 3,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.484,427 0.618,428 2.774,429 1.156,430 0.255,431 0.297,433 0.588,434 0.204,435 1.219,436 0.437,437 2.646,438 0.799,439 -0.059,440 -0.071,442 -0.143,443 -0.043,444 0.983,445 0.333,446 2.359,447 0.514,448 -0.344,449 -0.425,451 -0.845,452 -0.274,453 0.796,454 0.256,455 2.359,456 0.273,457 -0.514,458 -0.621,460 -1.242,461 -0.293,462 13.39,463 0.515,464 0.647,465 0.025,466 34.5,467 1.327,468 17.5,469 0.673,470 17,471 0.654,472 21.451,473 0.825,474 26.81,475 0.687,476 23.969,477 0.922,478 7.033,479 0.27,480 5.492,481 0.211,482 0.213,484 0.291,487 0.596,488 1.229,489 0.47,490 0.747,491 0.557,492 0.747,493 0.949,494 1.007,495 0.62,496 0.666,497 0.734,498 0.754,499 1.117,500 1.121,501 1.082,502 1.11,503 1.156,504 1.134,505 1.158,506 1.152,507 0.944,508 1.086,509 1.03,510 1.042,511 1.184,512 1.038,513 0.783,514 0.941,515 0.939,516 0.878,517 1.082,518 0.846,519 0.723,520 0.745,521 0.848,522 0.796,523 0.722,524 1.086,525 1.021,526 1.226,527 0.903,528 1.218,529 0.656,530 0.911,531 0.792,532 0.855,533 0.766,534 0.934,535 5.5,536 0.208,537 2.889,538 1.847,539 1.142,540 0.66,541 0.42,542 0.446,543 0.348,544 0.203,545 7865,546 32269,547 2.037,548 33.3,550 10,551 1,552 2,558 1.694,559 1.902,560 3.308,561 -0.684,567 70.211,568 1.8,569 3.541,570 4.426,571 4.978,572 5.132,573 5.183,574 2.609,575 4.162,576 4.673,577 3.478,578 1130.39,579 8.117,580 14562.2,585 206.131,586 1.42,587 4.628,588 0.196,589 0.011,590 0.076,591 0.051,592 0.035,593 0.021,594 0.013,595 0.014,596 0.012,597 0.007,598 0.436,599 0.33,600 0.88,601 0.596,602 127.614,603 0.053,604 -0.142,605 0.006,606 -0.037,607 -0.005,608 -0.025,609 -0.148,610 0.085,611 -0.001,612 0.133,613 -0.049,614 0.048,615 -0.186,616 -0.13,617 -0.172,618 -0.185,619 -0.222,620 -0.216,621 0.065,622 -0.185,623 0.079,624 -0.072,625 0.084,626 -0.058,627 -0.043,628 0.037,629 -0.013,630 -0.004,631 0.005,632 0.055,633 -0.041,634 0.199,635 0.016,636 0.172,637 0.007,638 0.123,639 0.089,640 -0.124,641 -0.136,642 -0.295,643 -0.045,644 -0.261,645 0.038,646 0.053,647 0.083,648 0.145,649 0.035,650 0.147,651 1.297,652 2.21,653 0.654,654 21.846,655 1.029,656 1.112,657 4.829,658 23.319,659 0.775,660 3.367,661 3.664,662 3.871,663 4.078,664 4.174,665 4.19,666 4.159,667 4.263,668 4.317,669 4.317,670 6.278,671 0.738,672 429.14,673 3.367,674 4.89,675 5.714,676 6.569,677 7.407,678 8.265,679 9.107,680 9.967,681 10.812,682 11.672,683 7.7,691 1,692 1,693 1,699 9,700 1,704 6,705 1,706 17,709 1,723 4,724 39,726 18,727 2,728 28,730 41,731 18,733 15,734 6,735 6,736 1,739 3,740 3,741 4,753 16,754 2,756 1,764 1,765 1,772 13,773 3,775 8,776 4,778 1,779 3,784 1,785 1,801 1,802 2,832 3,837 4,840 26,846 2,848 1,861 4,862 2.6,867 1,869 13.667,870 7.088,871 5.75,872 2.114,874 2.66,875 1.394,876 0.978,877 6.7,878 9.411,879 3.651,880 4.252,881 4.77,882 5.28,883 5.637,884 5.761,885 5.88,886 6.208,887 6.529,888 6.856,889 0.857,890 36,891 9.495,893 3.936,894 7.831,895 17.788,897 14.061,899 2.331,900 60.611,904 153.024,905 113.399,906 38.084,907 156.595,908 11.219,911 113.399,912 320.838,913 38.084,915 6.698,916 65.905,917 51.703,918 61.939,919 11.771,920 117.711,921 156.595,922 153.024,923 151.484,924 11.219,925 156.595,927 153.024,928 11.219,931 45.663,932 89.035,933 173.38,935 153.024,936 49.303,937 269.994,940 153.024,941 29.828,942 85.47,944 203.999,945 153.024,946 49.303,947 269.994,949 0.578,950 0.329,951 0.173,952 0.085,953 17,954 8,955 0.146,956 6,958 1,959 3.813,960 208.402,962 17,963 120.211,968 19.362,969 8.997,970 5.304,972 47.404,973 15.636,974 4.036,978 3.638,979 1.863,981 472.321,982 37.5,990 4.267,991 0.634,994 40.113,995 43.387,996 0.341,997 0.67,998 0.837,999 0.942,1000 0.971,1001 0.981,1002 4.862,1003 1.309,1004 5.687,1005 3.825,1006 4.344,1007 4.938,1008 2.721,1009 6.444,1010 4.151,1011 6.072,1012 1.22,1013 7.216,1014 3.287,1015 3.892,1016 4.677,1018 7.235,1019 3.477,1020 7.369,1021 0.909,1022 8.842,1023 2.678,1024 5.889,1025 7.106,1026 4.384,1027 10.298,1028 5.561,1029 8.7,1030 0.618,1031 10.525,1032 2.103,1033 6.236,1034 7.64,1036 11.918,1037 5.728,1038 10.059,1039 0.255,1040 12.245,1041 1.372,1042 7.697,1043 9.518,1044 6.192,1045 14.491,1046 7.247,1047 11.438,1048 -0.059,1049 13.992,1050 0.588,1051 8.42,1052 10.435,1054 16.47,1055 7.831,1056 12.831,1057 -0.344,1058 15.758,1059 -0.143,1060 9.659,1061 12.066,1062 8.021,1063 18.867,1064 9.092,1065 3.025,1066 -0.514,1067 17.539,1068 -0.845,1069 10.566,1070 13.185,1072 21.011,1073 9.891,1074 2.852,1075 10.029,1076 19.332,1077 -1.242,1078 11.711,1079 14.693,1080 9.852,1081 23.34,1082 11.03,1083 2.555,1084 8.701,1085 21.135,1086 4.018,1087 12.707,1088 15.923,1090 25.562,1091 11.941,1092 2.264,1093 7.253,1094 22.947,1095 3.879,1096 13.814,1097 17.368,1098 11.684,1099 27.866,1100 13.022,1101 2.13,1102 6.28,1103 24.765,1104 3.495,1105 14.855,1106 18.659,1108 30.125,1109 13.993,1110 1.816,1111 5.822,1112 26.589,1113 3.068,1114 15.947,1115 20.071,1116 13.516,1117 32.421,1118 15.048,1119 1.524,1120 4.901,1121 28.418,1122 2.778,1123 17.011,1124 21.397,1126 34.698,1127 16.05,1128 7671,1129 15677,1130 18.493,1131 30.233,1132 41.583,1133 43.549,1134 41.928,1135 41.585,1136 40.952,1137 54.828,1138 7.362,1139 113.677,1140 36.474,1141 5.226,1142 6.024,1143 6.084,1144 5.034,1145 5.025,1146 7.018,1147 4.998,1148 16.807,1149 4.866,1150 13.228,1151 1.485,1152 1.555,1153 1.497,1154 1.485,1155 1.463,1156 1.958,1157 0.263,1158 4.06,1159 1.303,1160 3.996,1161 4.037,1162 4.117,1163 3.914,1164 5.079,1165 3.91,1166 3.908,1167 3.928,1168 4.079,1169 3.865,1170 5.005,1171 3.854,1172 3.85,1173 3.885,1174 3.853,1175 3.678,1176 4.947,1177 3.703,1178 3.403,1179 3.441,1180 3.609,1181 3.211,1182 4.821,1183 3.228,1184 3.158,1185 3.204,1186 3.592,1187 3.04,1188 4.628,1189 3.026,1190 2.88,1191 2.922,1192 3.379,1193 2.802,1194 4.611,1195 2.773,1196 2.879,1197 2.922,1198 3.17,1199 2.796,1200 4.145,1201 2.768,1202 2.769,1203 2.82,1204 2.952,1205 2.653,1206 4.045,1207 2.631,1208 0.157,1209 0.144,1210 0.231,1211 0.142,1212 0.108,1213 4.387,1214 0.144,1215 4.024,1216 0.089,1217 6.468,1218 0.358,1219 3.977,1220 0.102,1221 3.025,1222 4.018,1223 2.499,1224 10.029,1225 2.866,1226 1.911,1227 1.895,1228 1.969,1229 2,1230 1.142,1231 2,1232 1.886,1233 1.871,1234 1.947,1235 1.946,1236 1.125,1237 1.961,1238 1.584,1239 1.524,1240 1.731,1241 1.792,1242 0.902,1243 1.784,1244 1.308,1245 1.247,1246 1.484,1247 1.527,1248 0.588,1249 1.518,1250 1.205,1251 1.159,1252 1.411,1253 1.479,1254 0.459,1255 1.453,1256 1.051,1257 1.006,1258 1.216,1259 1.218,1260 0.248,1261 1.234,1262 0.868,1263 0.824,1264 1.099,1265 1.017,1266 0.169,1267 1.06,1268 0.868,1269 0.824,1270 1.097,1271 1.016,1272 0.168,1273 1.059,1274 4.043,1276 5.342,1277 2.398,1278 6.819,1279 4.443,1280 8.382,1281 6.26,1282 9.991,1285 24.367,1290 0.643,1292 5.526,1300 28.777,1301 70.211,1302 138.092,1303 172.621,1304 194.131,1305 200.131,1306 202.131,1307 44.52,1308 6.751,1309 39.41,1310 39.41,1311 17,1312 12.225,1313 4.248,1314 3.392,1315 44.143,1316 93,1317 104,1318 0.217,1319 192.616,1320 329.05,1321 461.744,1322 6682,1323 10.3,1324 18.518,1325 0.712,1326 0.631,1327 20.518,1328 16.396,1329 12.525,1330 0.447,1331 0.324,1332 7.596,1333 10.949,1334 7.296,1335 5.999,1336 13.68,1337 9.078,1338 11.292,1339 0.297,1340 0.187,1341 12.85,1342 7.094,1343 8.973,1344 0.191,1345 0.1,1346 10.183,1347 4.678,1348 7.369,1349 0.127,1350 0.056,1351 8.814,1352 3.239,1353 5.07,1354 0.079,1355 0.028,1356 5.817,1357 1.813,1358 0.34,1359 90.417,1360 0.233,1361 25.164,1362 0.6,1363 132,1364 443.484,1365 202.202,1366 549.244,1367 701.39,1368 508,1369 151,1370 417.585,1371 203.476,1372 461.744,1373 663.86,1374 431,1375 6.209} {0 CHEMBL126333,1 1.668,2 15.389,3 5.423,4 29.412,5 141.718,6 8.797,7 0.615,8 4.17,9 4.251,10 3.989,11 3.842,12 5.342,13 3.795,14 4.655,15 4.768,16 4.284,17 4.217,18 6.053,19 4.151,20 4.924,21 5.085,22 4.327,23 4.361,24 6.109,25 4.261,26 4.998,27 5.175,28 4.213,29 4.307,30 6.209,31 4.205,32 4.971,33 5.172,34 4.242,35 4.292,36 6.087,37 4.189,38 4.929,39 5.12,40 4.284,41 4.319,42 6.114,43 4.212,44 4.961,45 5.171,46 4.082,47 4.281,48 6.04,49 4.159,50 4.855,51 5.071,52 3.976,53 4.161,54 5.891,55 4.04,56 0.117,57 0.76,58 11.334,59 5.544,60 22.121,61 6.018,62 0.412,63 1.213,64 17.896,65 8.954,66 73.017,67 10.367,68 0.309,69 1.569,70 32.598,71 13.364,72 54.07,73 15.254,74 0.52,75 1.665,76 36.525,77 14.083,78 95.423,79 15.554,80 0.522,81 1.64,82 34.858,83 13.244,84 96.399,85 15.513,86 0.427,87 1.59,88 31.583,89 13.018,90 58.653,91 16.167,92 0.396,93 1.624,94 33.228,95 13.6,96 69.669,97 16.839,98 0.337,99 1.433,100 29.762,101 12.129,102 62.78,103 15.497,104 27,105 54,106 0.265,107 0.551,108 0.701,109 0.818,110 0.855,111 0.855,112 3.615,113 0.998,114 -5.17,115 -5.07,116 -4.74,118 47.5,120 1,124 1,133 1,134 1,140 14,141 5,142 2,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 3,175 3,177 2,180 28,181 2,186 8,191 5,194 27,195 2,198 10,203 6,206 20,207 1,210 6,215 3,218 23,219 1,222 11,227 3,229 24,230 1,234 8,239 2,242 20,243 2,247 6,252 4,255 17,256 3,259 5,260 1,264 5,267 10,268 3,270 2732,271 24.023,272 24.023,273 24.023,274 24.023,275 24.023,276 20.561,277 10.142,278 14.191,279 24.4,280 19.227,281 19.227,282 19.227,283 19.227,284 19.227,285 14.022,286 5.077,287 6.724,288 19.896,289 4.214,290 2.42,291 1.474,292 0.74,293 0.508,294 0.508,295 4.308,297 1,300 1,301 1183,302 4.416,306 579.393,313 2.29,314 42.626,317 0.75,318 0.83,319 0.67,320 0.5,322 0.83,323 1,324 0.65,325 77.333,326 554,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.437,334 12.404,335 3.063,336 4.412,337 3.576,338 6.517,339 4.039,340 3.041,341 4.018,343 10.265,344 3.036,345 4.149,346 3.045,347 5.928,348 3.769,349 2.768,350 3.734,352 8.22,353 2.763,354 3.913,355 2.898,356 5.418,357 3.521,358 2.524,359 3.472,361 7.122,362 2.517,363 3.834,364 2.706,365 5.284,366 3.312,367 2.399,368 3.393,370 6.733,371 2.299,372 3.698,373 2.473,374 5.153,375 3.306,376 2.307,377 3.102,379 6.321,380 2.159,381 3.492,382 2.175,383 5.125,384 3.096,385 2.107,386 2.833,388 6.115,389 2.081,390 3.083,391 1.9,392 4.73,393 2.589,394 1.653,395 2.291,397 4.758,398 1.499,399 2.991,400 1.853,401 4.065,402 2.487,403 1.514,404 2.166,406 3.532,407 1.446,408 2.784,409 1.519,410 3.765,411 2.273,412 1.271,413 1.808,415 2.952,416 1.256,417 2.5,418 1.307,419 3.527,420 2.101,421 1.134,422 1.5,424 2.542,425 1.089,426 2.5,427 1,428 3.427,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.46,454 1,455 3.414,456 1.957,457 1,458 1.357,460 2.136,461 0.954,462 17.681,463 0.491,464 0.943,465 0.026,466 51.5,467 1.431,468 30,469 0.833,470 21.5,471 0.597,472 27.538,473 0.765,474 36.919,475 0.626,476 43.381,477 1.205,478 10.283,479 0.286,480 7.032,481 0.195,482 0.116,483 0.047,484 0.255,487 0.573,488 1.061,489 0.698,490 1.007,491 0.692,492 0.824,493 0.499,494 0.996,495 0.797,496 0.933,497 0.478,498 0.953,499 0.826,500 1.109,501 1.104,502 1.159,503 0.765,504 1.079,505 1.191,506 1.093,507 1.125,508 1.115,509 1.222,510 1.108,511 0.989,512 0.896,513 0.68,514 0.767,515 1.074,516 0.903,517 0.413,518 1.052,519 0.789,520 1.052,521 0.396,522 1.051,523 0.727,524 0.989,525 0.854,526 0.972,527 0.735,528 1.054,529 0.685,530 0.984,531 0.805,532 0.929,533 0.702,534 1.042,535 8,536 0.272,537 4.667,538 2.063,539 1.618,540 1.243,541 0.606,542 0.552,543 0.43,544 0.298,545 21379,546 72105,547 2.049,548 39,550 17,552 2,553 2,555 2,558 1.772,559 1.92,560 3.833,561 0.148,567 98.428,568 1.668,569 3.462,570 4.409,571 5.143,572 5.374,573 5.374,574 3.329,575 4.538,576 5.139,577 4.069,578 2563.27,579 9.023,580 43185.1,585 347.076,586 1.493,587 5.096,588 0.205,589 0.008,590 0.086,591 0.038,592 0.033,593 0.025,594 0.012,595 0.012,596 0.011,597 0.008,598 0.438,599 0.17,600 0.88,601 0.683,602 200.207,603 0.035,604 -0.012,605 0.116,606 -0.011,607 -0.135,608 0.05,609 0.247,610 0.042,611 -0.02,612 -0.007,613 0.25,614 -0.07,615 -0.062,616 -0.112,617 -0.118,618 -0.131,619 -0.002,620 -0.099,621 -0.175,622 -0.104,623 -0.186,624 -0.116,625 -0.139,626 -0.131,627 -0.111,628 0.094,629 0.094,630 0.156,631 -0.144,632 0.084,633 0.182,634 -0.064,635 0.067,636 -0.098,637 0.157,638 -0.046,639 -0.041,640 -0.025,641 -0.045,642 -0.033,643 -0.037,644 -0.033,645 -0.007,646 -0.046,647 0.007,648 -0.022,649 -0.037,650 -0.012,651 4.526,652 5.466,653 0.667,654 47.111,655 1.011,656 1.106,657 3.943,658 15.545,659 0.724,660 3.689,661 4.007,662 4.22,663 4.394,664 4.625,665 4.673,666 4.727,667 4.812,668 4.934,669 4.963,670 8.881,671 0.69,672 519.05,673 3.689,674 5.231,675 6.061,676 6.925,677 7.772,678 8.638,679 9.491,680 10.36,681 11.215,682 12.085,683 3.4,685 1,693 1,699 16,700 1,704 7,706 24,714 1,723 1,724 59,726 28,727 3,728 39,730 62,731 28,733 23,734 6,735 12,736 3,739 4,740 4,741 1,751 1,753 26,754 2,756 4,760 1,761 3,763 1,765 2,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 4,822 1,823 1,830 1,832 4,834 1,837 1,840 36,844 1,845 1,846 2,847 1,861 1,862 6.8,864 1,865 3,869 18.75,870 10.376,871 7.875,872 3.309,874 3.623,875 1.47,876 0.99,877 8.091,878 11.328,879 4.025,880 4.644,881 5.168,882 5.674,883 6.231,884 6.457,885 6.813,886 7.135,887 7.588,888 7.891,889 1,890 55,891 13.499,893 5.979,894 7.987,895 24.915,897 20.446,899 2.487,900 89.528,904 247.193,905 195.761,906 33.191,907 39.149,908 112.141,910 5.807,911 189.953,912 398.483,913 33.191,915 4.64,916 164.356,917 153.379,918 42.26,920 223.651,921 39.149,922 247.193,923 223.144,924 112.141,925 44.956,927 223.651,928 135.683,931 39.14,932 157.742,933 71.218,935 247.193,936 145.332,937 234.91,939 5.807,940 247.193,941 29.715,942 160.239,943 16.405,944 168.075,945 247.193,946 145.332,947 234.91,949 0.584,950 0.329,951 0.162,952 0.09,953 24,954 11,955 0.145,956 9,958 1,959 4.698,960 328.514,962 24,963 169.362,967 1,968 25.494,969 11.426,970 6.761,972 145.332,973 27.895,974 4.23,978 4.592,980 59.088,981 627.434,982 55,986 -3.609,987 36.089,989 1.984,991 -0.037,994 59.633,995 65.265,996 0.284,997 0.589,998 0.749,999 0.874,1000 0.914,1001 0.914,1002 5.247,1003 1.653,1004 6.061,1005 6.115,1006 4.691,1007 5.333,1008 1.635,1009 6.866,1010 4.628,1011 6.482,1012 1.514,1013 7.627,1014 4.758,1015 4.369,1016 5.255,1018 7.987,1019 4.219,1020 7.813,1021 1.271,1022 9.306,1023 3.532,1024 6.323,1025 7.6,1026 2.253,1027 10.987,1028 6.187,1029 9.186,1030 1.134,1031 11.058,1032 2.952,1033 6.825,1034 8.347,1036 12.979,1037 6.589,1038 10.595,1039 1,1040 12.859,1041 2.542,1042 8.278,1043 10.19,1044 2.922,1045 15.587,1046 8.043,1047 12.03,1048 1,1049 14.697,1050 2.275,1051 9.148,1052 11.32,1054 17.902,1055 8.81,1056 13.487,1057 1,1058 16.562,1059 2.275,1060 10.416,1061 12.965,1062 3.619,1063 20.417,1064 10.055,1065 3.374,1066 1,1067 18.449,1068 2.275,1069 11.457,1070 14.29,1072 22.85,1073 10.995,1074 3.041,1075 12.404,1076 20.353,1077 2.136,1078 12.661,1079 15.856,1080 4.33,1081 25.349,1082 12.152,1083 2.768,1084 10.265,1085 22.271,1086 4.697,1087 13.781,1088 17.283,1090 27.826,1091 13.176,1092 2.524,1093 8.22,1094 24.2,1095 4.018,1096 14.968,1097 18.82,1098 5.047,1099 30.325,1100 14.298,1101 2.399,1102 7.122,1103 26.138,1104 3.734,1105 16.126,1106 20.3,1108 32.821,1109 15.364,1110 2.307,1111 6.733,1112 28.084,1113 3.472,1114 17.313,1115 21.83,1116 5.769,1117 35.325,1118 16.473,1119 2.107,1120 6.321,1121 30.036,1122 3.393,1123 18.491,1124 23.337,1126 37.829,1127 17.559,1128 20460,1129 37788,1130 25.83,1131 42.71,1132 58.698,1133 60.01,1134 59.233,1135 58.156,1136 57.877,1137 80.152,1138 2.873,1139 164.281,1140 55.991,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 2.873,1148 19.555,1149 5.063,1150 18.979,1151 1.505,1152 1.539,1153 1.519,1154 1.491,1155 1.484,1156 2.055,1157 0.074,1158 4.212,1159 1.436,1160 4.09,1161 4.088,1162 4.736,1163 4.071,1164 7.717,1165 4.008,1166 4.015,1167 4.015,1168 3.987,1169 3.978,1170 7.475,1171 3.947,1172 3.885,1173 3.907,1174 3.924,1175 3.829,1176 6.999,1177 3.824,1178 3.81,1179 3.849,1180 3.828,1181 3.72,1182 6.351,1183 3.721,1184 3.653,1185 3.662,1186 3.742,1187 3.578,1188 4.942,1189 3.512,1190 3.42,1191 3.432,1192 3.367,1193 3.315,1194 4.917,1195 3.306,1196 3.287,1197 3.3,1198 3.222,1199 3.119,1200 4.744,1201 3.116,1202 3.075,1203 3.099,1204 3.144,1205 2.881,1206 4.666,1207 2.901,1208 0.124,1209 0.12,1210 0.187,1211 0.11,1212 0.087,1213 4.844,1214 0.12,1215 4.683,1216 0.037,1217 7.293,1218 0.318,1219 4.291,1220 0.079,1221 3.374,1222 4.697,1223 1.437,1224 12.404,1225 3.063,1226 2.011,1227 1.992,1228 2.1,1229 2.077,1230 1.275,1231 2.092,1232 1.953,1233 1.961,1234 2.001,1235 2.018,1236 1.175,1237 2.053,1238 1.885,1239 1.863,1240 1.952,1241 1.962,1242 1.12,1243 1.974,1244 1.796,1245 1.762,1246 1.917,1247 1.912,1248 1.003,1249 1.918,1250 1.544,1251 1.533,1252 1.7,1253 1.714,1254 0.866,1255 1.739,1256 1.352,1257 1.347,1258 1.429,1259 1.502,1260 0.566,1261 1.505,1262 1.205,1263 1.187,1264 1.181,1265 1.398,1266 0.473,1267 1.402,1268 0.985,1269 0.968,1270 1.181,1271 1.227,1272 0.218,1273 1.213,1274 4.369,1276 5.687,1278 7.195,1280 8.781,1282 10.406,1285 5.839,1289 9.147,1290 0.779,1291 2.619,1300 40.711,1301 98.428,1302 204.286,1303 260.121,1304 303.424,1305 317.076,1306 317.076,1307 84.183,1308 7.705,1309 96.36,1310 104.74,1311 24,1312 12.631,1313 4.858,1314 4.087,1315 62.325,1316 190,1317 204,1318 0.154,1319 257.836,1320 453.84,1321 620.88,1322 24621,1323 1.7,1324 25.545,1325 0.71,1326 0.575,1327 26.295,1328 20.707,1329 17.315,1330 0.444,1331 0.333,1332 11.184,1333 15.825,1334 10.779,1335 8.937,1336 18.424,1337 12.978,1338 15.941,1339 0.295,1340 0.189,1341 17.673,1342 10.229,1343 12.746,1344 0.19,1345 0.108,1346 14.143,1347 7.265,1348 9.805,1349 0.123,1350 0.06,1351 10.826,1352 4.78,1353 7.899,1354 0.078,1355 0.034,1356 8.858,1357 3.474,1358 0.25,1359 118.355,1360 0.197,1361 33.599,1362 0.403,1363 186,1364 574.398,1365 249.911,1366 614.006,1367 812.38,1368 564,1369 214,1370 532.182,1371 277.638,1372 591.061,1373 851.68,1374 554,1375 7.569} {0 CHEMBL126334,1 1.668,2 14.917,3 5.423,4 29.412,5 141.718,6 8.797,7 0.615,8 4.17,9 4.251,10 3.989,11 3.842,12 5.342,13 3.795,14 4.655,15 4.768,16 4.284,17 4.217,18 6.054,19 4.151,20 4.924,21 5.085,22 4.327,23 4.361,24 6.108,25 4.261,26 4.998,27 5.176,28 4.225,29 4.312,30 6.201,31 4.213,32 4.972,33 5.166,34 4.278,35 4.306,36 6.127,37 4.21,38 4.965,39 5.153,40 4.302,41 4.337,42 6.161,43 4.234,44 4.975,45 5.182,46 4.152,47 4.309,48 6.068,49 4.199,50 4.898,51 5.093,52 4.08,53 4.204,54 6.06,55 4.102,56 0.117,57 0.76,58 11.334,59 5.544,60 22.121,61 6.018,62 0.412,63 1.213,64 17.896,65 8.954,66 73.039,67 10.367,68 0.309,69 1.569,70 32.598,71 13.364,72 53.829,73 15.254,74 0.523,75 1.665,76 36.67,77 14.088,78 97.712,79 15.568,80 0.477,81 1.642,82 33.908,83 13.162,84 86.287,85 15.408,86 0.514,87 1.633,88 33.036,89 13.369,90 76.233,91 16.173,92 0.367,93 1.647,94 33.408,95 13.762,96 66.083,97 17.125,98 0.322,99 1.48,100 29.105,101 12.323,102 57.789,103 15.307,104 27,105 54,106 0.265,107 0.551,108 0.723,109 0.851,110 0.877,111 0.877,112 3.615,113 0.998,114 -5.17,115 -5.07,116 -4.74,118 47.5,120 1,124 1,133 1,134 1,140 14,141 5,142 2,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 3,175 3,177 2,180 28,181 2,186 8,191 5,194 27,195 2,198 10,203 6,206 20,207 2,210 7,215 4,218 23,219 1,222 11,227 3,229 24,230 2,234 9,239 3,242 20,243 3,247 7,248 1,252 5,255 17,256 3,258 1,259 5,262 1,264 5,267 10,268 1,270 2678,271 24.023,272 24.023,273 24.023,274 24.023,275 24.023,276 20.561,277 10.142,278 14.231,279 24.4,280 19.244,281 19.244,282 19.244,283 19.244,284 19.244,285 14.028,286 5.077,287 6.75,288 19.913,289 4.214,290 2.42,291 1.338,292 0.536,293 0.373,294 0.373,295 4.308,297 1,300 1,301 1147,302 4.416,306 572.042,313 2.162,314 43.418,317 0.75,318 0.83,319 0.67,320 0.5,322 0.83,323 1,324 0.65,325 77.333,326 537,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.437,334 12.404,335 3.063,336 4.416,337 3.578,338 6.518,339 4.043,340 3.044,341 4.026,343 10.269,344 3.04,345 4.17,346 3.044,347 5.971,348 3.792,349 2.791,350 3.759,352 8.443,353 2.786,354 3.91,355 2.898,356 5.417,357 3.518,358 2.521,359 3.47,361 7.114,362 2.514,363 3.834,364 2.706,365 5.231,366 3.311,367 2.399,368 3.393,370 6.496,371 2.235,372 3.645,373 2.484,374 5.153,375 3.244,376 2.246,377 3.03,379 6.321,380 2.159,381 3.481,382 2.175,383 5.124,384 3.092,385 2.102,386 2.806,388 6.111,389 2.078,390 3.083,391 1.896,392 4.73,393 2.589,394 1.653,395 2.291,397 4.758,398 1.505,399 3.001,400 1.779,401 4.064,402 2.496,403 1.52,404 2.18,406 3.536,407 1.451,408 2.826,409 1.511,410 3.75,411 2.344,412 1.348,413 1.933,415 3.015,416 1.334,417 2.531,418 1.307,419 3.527,420 2.101,421 1.134,422 1.5,424 2.542,425 1.09,426 2.5,427 1.177,428 3.441,429 2.005,430 1,431 1.5,433 2.324,434 1,435 2.5,436 1,437 3.42,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.414,447 2,448 1,449 1.475,451 2.275,452 0.994,453 2.45,454 1,455 3.414,456 1.957,457 1,458 1.355,460 2.136,461 0.954,462 17.681,463 0.491,464 0.943,465 0.026,466 51.5,467 1.431,468 30,469 0.833,470 21.5,471 0.597,472 27.704,473 0.77,474 36.919,475 0.626,476 43.655,477 1.213,478 10.283,479 0.286,480 7.032,481 0.195,482 0.116,483 0.047,484 0.255,487 0.573,488 1.061,489 0.698,490 1.007,491 0.692,492 0.824,493 0.499,494 0.996,495 0.797,496 0.933,497 0.477,498 0.953,499 0.826,500 1.109,501 1.104,502 1.159,503 0.768,504 1.079,505 1.189,506 1.068,507 1.11,508 1.09,509 1.227,510 1.078,511 0.964,512 0.947,513 0.669,514 0.811,515 1.032,516 0.926,517 0.593,518 1.01,519 0.816,520 1.011,521 0.602,522 1.029,523 0.688,524 0.976,525 0.801,526 0.953,527 0.695,528 1.003,529 0.813,530 1.114,531 0.823,532 1.025,533 0.806,534 1.112,535 8,536 0.272,537 4.444,538 2.188,539 1.618,540 1.132,541 0.691,542 0.677,543 0.365,544 0.278,545 21019,546 70473,547 2.049,548 39,550 17,552 2,553 2,555 2,558 1.773,559 1.92,560 3.799,561 0.148,567 98.428,568 1.668,569 3.462,570 4.545,571 5.347,572 5.51,573 5.51,574 3.214,575 4.482,576 5.14,577 4.025,578 2535.84,579 9.028,580 42475.8,585 347.076,586 1.493,587 5.096,588 0.205,589 0.009,590 0.082,591 0.04,592 0.032,593 0.022,594 0.013,595 0.014,596 0.008,597 0.008,598 0.434,599 0.17,600 0.88,601 0.683,602 199.631,603 0.035,604 -0.012,605 0.116,606 -0.011,607 -0.135,608 0.05,609 0.247,610 0.042,611 -0.02,612 -0.007,613 0.25,614 -0.07,615 -0.062,616 -0.112,617 -0.118,618 -0.131,619 -0.004,620 -0.099,621 -0.172,622 -0.079,623 -0.171,624 -0.091,625 -0.143,626 -0.1,627 -0.092,628 0.043,629 0.092,630 0.106,631 -0.107,632 0.051,633 0.119,634 -0.024,635 0.041,636 -0.06,637 0.081,638 -0.034,639 -0.011,640 -0.012,642 -0.017,643 -0.005,644 0.015,645 -0.024,646 -0.178,647 -0.037,648 -0.134,649 -0.015,650 -0.117,651 4.532,652 5.469,653 0.667,654 45.278,655 1.011,656 1.106,657 3.943,658 15.545,659 0.724,660 3.689,661 4.007,662 4.22,663 4.407,664 4.635,665 4.663,666 4.754,667 4.812,668 4.905,669 4.977,670 8.71,671 0.69,672 519.05,673 3.689,674 5.231,675 6.061,676 6.927,677 7.774,678 8.642,679 9.497,680 10.366,681 11.224,682 12.094,683 3.4,685 1,693 1,699 16,700 1,704 7,706 24,714 1,723 1,724 59,726 28,727 3,728 39,730 62,731 28,733 23,734 6,735 12,736 3,739 4,740 4,741 1,751 1,753 26,754 2,756 4,760 1,761 3,763 1,765 2,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 4,822 1,823 1,830 1,832 4,834 1,837 1,840 36,844 1,845 1,846 2,847 1,861 1,862 6.8,864 1,865 3,869 18.75,870 10.376,871 7.875,872 3.309,874 3.647,875 1.473,876 0.99,877 8.091,878 11.353,879 4.025,880 4.644,881 5.168,882 5.682,883 6.24,884 6.447,885 6.826,886 7.143,887 7.556,888 7.902,889 0.9,890 55,891 13.509,893 5.991,894 7.987,895 24.915,897 20.446,899 2.487,900 89.528,904 247.193,905 195.761,906 33.191,907 39.149,908 112.141,910 5.807,911 189.953,912 398.483,913 33.191,915 4.64,916 164.356,917 153.379,918 42.26,920 223.651,921 39.149,922 247.193,923 223.144,924 112.141,925 44.956,927 223.651,928 135.683,931 39.14,932 157.742,933 71.218,935 247.193,936 145.332,937 234.91,939 5.807,940 247.193,941 29.715,942 160.239,943 16.405,944 168.075,945 247.193,946 145.332,947 234.91,949 0.583,950 0.329,951 0.164,952 0.093,953 24,954 11,955 0.145,956 9,958 1,959 4.668,960 330.588,962 24,963 176.117,967 1,968 25.494,969 11.426,970 6.761,972 145.332,973 27.826,974 4.222,978 4.399,980 59.088,981 627.434,982 55,986 -3.616,987 36.319,989 1.929,991 -0.093,994 59.633,995 65.265,996 0.284,997 0.589,998 0.773,999 0.909,1000 0.937,1001 0.937,1002 5.247,1003 1.653,1004 6.061,1005 6.111,1006 4.691,1007 5.333,1008 1.635,1009 6.868,1010 4.628,1011 6.482,1012 1.52,1013 7.627,1014 4.758,1015 4.369,1016 5.255,1018 7.987,1019 4.219,1020 7.813,1021 1.348,1022 9.306,1023 3.536,1024 6.323,1025 7.6,1026 2.253,1027 10.994,1028 6.187,1029 9.186,1030 1.134,1031 11.059,1032 3.015,1033 6.825,1034 8.347,1036 12.984,1037 6.589,1038 10.595,1039 1,1040 12.861,1041 2.542,1042 8.28,1043 10.191,1044 2.922,1045 15.595,1046 8.045,1047 12.031,1048 1,1049 14.699,1050 2.324,1051 9.151,1052 11.323,1054 17.908,1055 8.814,1056 13.488,1057 1,1058 16.565,1059 2.275,1060 10.421,1061 12.968,1062 3.619,1063 20.424,1064 10.06,1065 3.374,1066 1,1067 18.452,1068 2.275,1069 11.462,1070 14.295,1072 22.855,1073 11.004,1074 3.044,1075 12.404,1076 20.357,1077 2.136,1078 12.667,1079 15.861,1080 4.33,1081 25.353,1082 12.162,1083 2.791,1084 10.269,1085 22.274,1086 4.697,1087 13.788,1088 17.288,1090 27.829,1091 13.189,1092 2.521,1093 8.443,1094 24.203,1095 4.026,1096 14.975,1097 18.825,1098 5.047,1099 30.328,1100 14.312,1101 2.399,1102 7.114,1103 26.142,1104 3.759,1105 16.134,1106 20.305,1108 32.823,1109 15.379,1110 2.246,1111 6.496,1112 28.087,1113 3.47,1114 17.32,1115 21.835,1116 5.769,1117 35.327,1118 16.489,1119 2.102,1120 6.321,1121 30.039,1122 3.393,1123 18.498,1124 23.342,1126 37.83,1127 17.577,1128 20118,1129 37050,1130 25.83,1131 42.71,1132 58.756,1133 60.091,1134 59.218,1135 58.183,1136 57.911,1137 80.187,1138 2.873,1139 164.358,1140 56.025,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 2.873,1148 19.555,1149 5.063,1150 18.831,1151 1.507,1152 1.541,1153 1.518,1154 1.492,1155 1.485,1156 2.056,1157 0.074,1158 4.214,1159 1.437,1160 4.09,1161 4.088,1162 4.736,1163 4.071,1164 7.717,1165 4.009,1166 4.015,1167 4.015,1168 3.988,1169 3.979,1170 7.475,1171 3.948,1172 3.885,1173 3.907,1174 3.924,1175 3.829,1176 6.999,1177 3.824,1178 3.809,1179 3.849,1180 3.828,1181 3.72,1182 6.351,1183 3.721,1184 3.653,1185 3.662,1186 3.742,1187 3.578,1188 4.942,1189 3.512,1190 3.407,1191 3.422,1192 3.349,1193 3.307,1194 4.917,1195 3.293,1196 3.284,1197 3.291,1198 3.223,1199 3.102,1200 4.744,1201 3.103,1202 3.136,1203 3.17,1204 3.15,1205 2.962,1206 4.667,1207 2.976,1208 0.124,1209 0.12,1210 0.187,1211 0.11,1212 0.087,1213 4.844,1214 0.12,1215 4.683,1216 0.037,1217 7.293,1218 0.318,1219 4.291,1220 0.079,1221 3.374,1222 4.697,1223 1.437,1224 12.404,1225 3.063,1226 2.011,1227 1.993,1228 2.1,1229 2.077,1230 1.275,1231 2.092,1232 1.953,1233 1.961,1234 2.001,1235 2.018,1236 1.175,1237 2.053,1238 1.885,1239 1.863,1240 1.952,1241 1.961,1242 1.12,1243 1.974,1244 1.796,1245 1.761,1246 1.917,1247 1.912,1248 1.002,1249 1.918,1250 1.544,1251 1.533,1252 1.7,1253 1.714,1254 0.866,1255 1.739,1256 1.344,1257 1.337,1258 1.425,1259 1.487,1260 0.565,1261 1.499,1262 1.192,1263 1.173,1264 1.241,1265 1.406,1266 0.47,1267 1.392,1268 1.072,1269 1.05,1270 1.181,1271 1.283,1272 0.227,1273 1.291,1274 4.369,1276 5.687,1278 7.195,1280 8.782,1282 10.409,1285 5.839,1289 9.326,1290 0.761,1291 2.615,1300 40.711,1301 98.428,1302 204.286,1303 268.163,1304 315.466,1305 325.076,1306 325.076,1307 85.153,1308 7.705,1309 96.36,1310 104.74,1311 24,1312 12.64,1313 4.858,1314 4.087,1315 62.291,1316 187,1317 204,1318 0.157,1319 257.836,1320 453.84,1321 620.88,1322 24621,1323 1.7,1324 25.545,1325 0.71,1326 0.575,1327 26.295,1328 20.707,1329 17.315,1330 0.444,1331 0.333,1332 11.184,1333 15.825,1334 10.779,1335 8.939,1336 18.424,1337 12.978,1338 15.953,1339 0.295,1340 0.189,1341 17.684,1342 10.232,1343 12.678,1344 0.189,1345 0.108,1346 14.075,1347 7.241,1348 9.866,1349 0.122,1350 0.059,1351 10.888,1352 4.819,1353 8.044,1354 0.079,1355 0.034,1356 9.003,1357 3.486,1358 0.253,1359 118.355,1360 0.197,1361 33.486,1362 0.413,1363 186,1364 574.398,1365 249.911,1366 614.071,1367 812.4,1368 564,1369 214,1370 532.182,1371 277.638,1372 591.197,1373 851.93,1374 554,1375 8.398} {0 CHEMBL126337,1 1.659,2 15.294,3 5.103,4 26.042,5 135.102,6 8.181,7 0.5,8 4.182,9 4.276,10 3.944,11 3.802,12 5.274,13 3.746,14 4.71,15 4.855,16 4.208,17 4.164,18 5.982,19 4.083,20 4.95,21 5.137,22 4.244,23 4.307,24 6.049,25 4.19,26 5.01,27 5.199,28 4.134,29 4.275,30 6.145,31 4.156,32 5.012,33 5.228,34 4.166,35 4.271,36 6.055,37 4.143,38 5.012,39 5.24,40 4.179,41 4.276,42 6.08,43 4.138,44 4.986,45 5.224,46 4,47 4.219,48 5.976,49 4.079,50 4.885,51 5.106,52 3.983,53 4.12,54 5.947,55 4.006,56 0.089,57 0.821,58 13.779,59 6.143,60 18.512,61 7.227,62 0.481,63 1.301,64 23.979,65 10.177,66 69.909,67 12.347,68 0.351,69 1.604,70 37.636,71 14.077,72 63.053,73 16.813,74 0.524,75 1.661,76 39.492,77 14.23,78 97.658,79 16.704,80 0.477,81 1.683,82 38.345,83 13.885,84 82.814,85 17.313,86 0.501,87 1.697,88 39.066,89 14.363,90 76.9,91 18.63,92 0.352,93 1.622,94 37.284,95 14.158,96 64.813,97 18.445,98 0.31,99 1.436,100 32.235,101 12.318,102 58.432,103 15.964,104 32,105 48,106 0.265,107 0.581,108 0.76,109 0.856,110 0.863,111 0.863,112 3.56,113 1.064,114 -4.71,115 -4.63,116 -4.35,118 42.6,120 4,123 1,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,168 17,171 2,172 4,175 2,177 1,180 22,186 8,191 3,194 22,198 10,203 4,206 16,210 7,215 2,218 17,222 11,227 2,229 16,234 10,239 1,242 13,247 9,252 2,255 12,258 2,259 8,264 2,267 8,270 2348,271 22.791,272 22.791,273 22.791,274 22.791,275 22.791,276 19.965,277 14.444,278 13.715,279 23.319,280 17.687,281 17.687,282 17.687,283 17.687,284 17.687,285 13.373,286 7.243,287 6.432,288 18.462,289 4.272,290 2.298,291 1.184,292 0.582,293 0.537,294 0.537,295 4.241,297 1,300 1,301 1082,302 4.743,306 419.268,313 2.336,314 39.278,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 73.333,326 520,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.443,334 12.404,335 3.063,336 4.38,337 3.672,338 6.5,339 4.014,340 3.016,341 3.968,342 0.286,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.328,358 2.399,359 3.393,361 6.321,362 2.283,363 3.64,364 2.7,365 5.128,366 3.311,367 2.344,368 2.922,370 6.124,371 2.159,372 3.535,373 2.184,374 4.988,375 3.112,376 2.125,377 2.809,379 5.892,380 2.094,381 3.086,382 1.934,383 4.73,384 2.647,385 1.676,386 2.292,388 4.759,389 1.629,390 3.047,391 1.869,392 4.153,393 2.572,394 1.619,395 2.225,397 3.833,398 1.466,399 2.725,400 1.502,401 3.593,402 2.395,403 1.421,404 1.756,406 2.991,407 1.379,408 2.5,409 1.461,410 3.526,411 2.102,412 1.135,413 1.5,415 2.527,416 1.09,417 2.5,418 1.307,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1.114,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.318,436 1,437 3.342,438 1.957,439 1,440 1.281,442 2.136,443 0.954,444 2.208,445 1,446 3.247,447 1.863,448 0.887,449 1.106,451 2.069,452 0.861,453 1.512,454 1,455 2.968,456 1.327,457 0.409,458 0.436,460 0.722,461 0.37,462 16.681,463 0.491,464 0.786,465 0.023,466 44.25,467 1.301,468 24,469 0.706,470 20.25,471 0.596,472 28.842,473 0.848,474 36.719,475 0.602,476 36.193,477 1.064,478 8.722,479 0.257,480 7.664,481 0.225,482 0.133,483 0.05,484 0.21,487 0.549,488 1.235,489 0.725,490 1.146,491 0.614,492 0.95,493 0.672,494 1.006,495 0.818,496 0.925,497 0.553,498 0.958,499 0.919,500 1.068,501 1.078,502 1.097,503 0.89,504 1.021,505 1.258,506 1.095,507 1.135,508 1.098,509 1.413,510 1.106,511 0.96,512 1.002,513 0.71,514 0.857,515 1.081,516 0.994,517 0.498,518 1.018,519 0.783,520 1.013,521 0.491,522 1.027,523 0.672,524 0.972,525 0.778,526 0.947,527 0.719,528 0.985,529 0.824,530 1.034,531 0.77,532 0.943,533 0.799,534 1.002,535 7,536 0.285,537 4.222,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 17958,546 58461,547 2.004,548 44.3,549 4,550 16,552 2,553 1,554 2,555 2,558 1.758,559 1.88,560 3.845,561 -0.363,567 101.182,568 1.659,569 3.633,570 4.746,571 5.349,572 5.394,573 5.394,574 3.366,575 4.477,576 5.055,577 4.06,578 2277.85,579 8.856,580 37496.6,585 361.775,586 1.455,587 5.013,588 0.194,589 0.009,590 0.088,591 0.04,592 0.025,593 0.021,594 0.015,595 0.013,596 0.008,597 0.007,598 0.42,599 0.17,600 0.75,601 1.454,602 186.84,603 0.069,604 -0.091,605 0.136,606 -0.066,607 -0.094,608 0.014,609 0.206,610 0.069,611 0.014,612 0.051,613 0.215,614 -0.013,615 -0.081,616 -0.048,617 -0.072,618 -0.045,619 -0.023,620 -0.023,621 -0.203,622 -0.094,623 -0.2,624 -0.1,625 -0.186,626 -0.139,627 -0.101,628 -0.012,629 0.044,630 0.054,631 -0.132,632 -0.024,633 0.154,634 -0.027,635 0.078,636 -0.057,637 0.138,638 -0.02,639 0.007,640 -0.016,641 0.027,642 -0.011,643 0.007,644 0.028,645 -0.012,646 -0.091,647 0.024,648 -0.052,649 -0.001,650 -0.013,651 4.5,652 5.424,653 0.529,654 45.059,655 1.007,656 1.116,657 3.485,658 12.145,659 0.692,660 3.611,661 3.892,662 4.078,663 4.22,664 4.407,665 4.431,666 4.477,667 4.511,668 4.554,669 4.615,670 8.821,671 0.652,672 499.07,673 3.611,674 5.13,675 5.943,676 6.79,677 7.622,678 8.476,679 9.316,680 10.175,681 11.019,682 11.88,683 3.3,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 61,726 22,727 2,728 36,730 63,731 26,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 27,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,819 1,822 1,823 1,832 3,834 1,836 1,837 1,840 34,844 1,846 5,847 1,848 1,861 1,862 6.6,865 3,867 1,869 18.083,870 11.01,871 7.681,872 3.558,874 2.912,875 1.396,876 0.966,877 9.553,878 10.26,879 3.912,880 4.483,881 4.951,882 5.411,883 5.913,884 6.06,885 6.316,886 6.469,887 6.707,888 6.986,889 1,890 49,891 12.776,893 5.501,894 7.917,895 23.82,897 19.126,899 2.417,900 82.194,904 306.049,905 176.253,906 33.191,907 39.149,908 80.458,910 5.807,911 170.445,912 425.655,913 33.191,914 10.883,915 12.244,916 126.451,917 116.977,918 46.888,920 282.506,921 39.149,922 306.049,923 203.636,924 80.458,925 44.956,927 282.506,928 104,931 46.744,932 130.631,933 71.218,935 306.049,936 113.648,937 215.402,939 5.807,940 306.049,941 37.229,942 133.217,943 16.405,944 136.392,945 306.049,946 113.648,947 215.402,949 0.571,950 0.321,951 0.154,952 0.083,953 19,954 9,955 0.19,956 12,958 1,959 4.56,960 289.175,962 18,963 162.974,967 1,968 25.798,969 12.59,970 7.881,972 113.648,973 21.512,974 4.224,978 3.701,980 16.405,981 635.098,982 49,986 -3.583,987 36.223,989 2.106,991 0.82,994 61.4,995 68.096,996 0.28,997 0.613,998 0.8,999 0.902,1000 0.909,1001 0.909,1002 5.121,1003 1.619,1004 5.927,1005 4.759,1006 4.575,1007 5.17,1008 2.402,1009 6.711,1010 4.496,1011 6.335,1012 1.421,1013 7.479,1014 3.833,1015 4.205,1016 5.103,1017 2.243,1018 7.854,1019 4.025,1020 7.658,1021 1.135,1022 9.152,1023 2.991,1024 6.184,1025 7.414,1026 3.841,1027 10.849,1028 6.016,1029 9.028,1030 1,1031 10.904,1032 2.527,1033 6.673,1034 8.202,1035 4.269,1036 12.888,1037 6.387,1038 10.437,1039 1,1040 12.711,1041 2.275,1042 8.136,1043 10.018,1044 5.486,1045 15.502,1046 7.849,1047 11.875,1048 1,1049 14.559,1050 2.275,1051 9.012,1052 11.192,1053 6.158,1054 17.847,1055 8.608,1056 13.337,1057 0.887,1058 16.437,1059 2.136,1060 10.288,1061 12.826,1062 7.208,1063 20.37,1064 9.857,1065 3.374,1066 0.409,1067 18.337,1068 2.069,1069 11.342,1070 14.186,1071 7.992,1072 22.817,1073 10.801,1074 3.016,1075 12.404,1076 20.254,1077 0.722,1078 12.554,1079 15.752,1080 8.963,1081 25.322,1082 11.962,1083 2.52,1084 10.18,1085 22.185,1086 4.697,1087 13.687,1088 17.203,1089 9.802,1090 27.806,1091 12.993,1092 2.399,1093 7.106,1094 24.126,1095 3.968,1096 14.882,1097 18.744,1098 10.734,1099 30.309,1100 14.12,1101 2.344,1102 6.321,1103 26.074,1104 3.471,1105 16.051,1106 20.24,1107 11.599,1108 32.808,1109 15.193,1110 2.125,1111 6.124,1112 28.029,1113 3.393,1114 17.245,1115 21.776,1116 12.512,1117 35.315,1118 16.307,1119 1.676,1120 5.892,1121 29.99,1122 2.922,1123 18.431,1124 23.294,1125 13.391,1126 37.821,1127 17.399,1128 17648,1129 32072,1130 23.633,1131 42.233,1132 52.243,1133 54.721,1134 53.926,1135 52.236,1136 52.03,1137 69.919,1138 5.458,1139 143.55,1140 49.912,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 4.174,1148 19.555,1149 5.063,1150 18.35,1151 1.451,1152 1.52,1153 1.498,1154 1.451,1155 1.445,1156 1.942,1157 0.152,1158 3.987,1159 1.386,1160 4.085,1161 4.078,1162 4.736,1163 4.069,1164 7.717,1165 3.993,1166 3.993,1167 4.002,1168 3.955,1169 3.95,1170 7.432,1171 3.93,1172 3.819,1173 3.858,1174 3.923,1175 3.737,1176 6.999,1177 3.735,1178 3.709,1179 3.75,1180 3.747,1181 3.581,1182 4.937,1183 3.556,1184 3.651,1185 3.66,1186 3.599,1187 3.552,1188 4.913,1189 3.508,1190 3.453,1191 3.477,1192 3.368,1193 3.302,1194 4.719,1195 3.298,1196 3.305,1197 3.345,1198 3.202,1199 3.122,1200 4.501,1201 3.115,1202 3.127,1203 3.201,1204 3.129,1205 2.923,1206 4.27,1207 2.916,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.068,1217 7.293,1218 0.345,1219 4.291,1220 0.085,1221 3.374,1222 4.697,1223 2.443,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.093,1229 2.067,1230 1.301,1231 2.087,1232 1.949,1233 1.951,1234 1.965,1235 2.011,1236 1.235,1237 2.046,1238 1.812,1239 1.777,1240 1.946,1241 1.921,1242 1.146,1243 1.934,1244 1.684,1245 1.636,1246 1.89,1247 1.865,1248 1.028,1249 1.874,1250 1.541,1251 1.53,1252 1.701,1253 1.716,1254 0.866,1255 1.739,1256 1.372,1257 1.355,1258 1.607,1259 1.609,1260 0.681,1261 1.61,1262 1.246,1263 1.214,1264 1.468,1265 1.436,1266 0.569,1267 1.479,1268 1.125,1269 1.051,1270 1.194,1271 1.343,1272 0.518,1273 1.385,1274 4.29,1276 5.58,1278 7.06,1280 8.624,1282 10.23,1284 1.392,1285 5.833,1290 2.634,1291 2.626,1292 4.705,1300 39.765,1301 101.182,1302 221.589,1303 289.536,1304 326.265,1305 329.02,1306 329.02,1307 88.954,1308 7.348,1309 85.36,1310 93.74,1311 18,1312 12.434,1313 4.524,1314 3.807,1315 67.553,1316 180,1317 180,1318 0.178,1319 254.827,1320 450.42,1321 613.538,1322 15984,1323 1.6,1324 24.391,1325 0.717,1326 0.602,1327 25.141,1328 20.48,1329 16.386,1330 0.455,1331 0.355,1332 10.948,1333 14.811,1334 10.515,1335 8.752,1336 17.496,1337 12.769,1338 14.478,1339 0.302,1340 0.205,1341 16.21,1342 9.83,1343 11.488,1344 0.198,1345 0.12,1346 12.884,1347 6.957,1348 8.493,1349 0.127,1350 0.068,1351 9.514,1352 4.555,1353 6.658,1354 0.082,1355 0.04,1356 7.617,1357 3.261,1358 0.29,1359 113.323,1360 0.206,1361 32.262,1362 0.463,1363 168,1364 533.984,1365 232.685,1366 564.283,1367 740.46,1368 520,1369 190,1370 471.697,1371 254.303,1372 526.566,1373 754.34,1374 492,1375 7.481} {0 CHEMBL126373,1 1.69,2 14.125,3 4.646,4 21.584,5 124.882,6 8.299,7 0.529,8 4.12,9 4.213,10 3.895,11 3.746,12 5.227,13 3.689,14 4.649,15 4.788,16 4.174,17 4.13,18 5.979,19 4.044,20 4.948,21 5.141,22 4.2,23 4.286,24 6.025,25 4.159,26 5.021,27 5.227,28 4.099,29 4.261,30 6.109,31 4.13,32 5.018,33 5.243,34 4.135,35 4.247,36 6.049,37 4.113,38 4.977,39 5.204,40 4.167,41 4.219,42 6.1,43 4.091,44 4.923,45 5.153,46 3.994,47 4.118,48 6.053,49 4.002,50 4.802,51 5.008,52 3.872,53 3.964,54 6.039,55 3.862,56 0.113,57 0.778,58 12.91,59 5.759,60 23.337,61 6.669,62 0.42,63 1.248,64 21.45,65 9.663,66 79.816,67 11.81,68 0.405,69 1.596,70 37.782,71 14.08,72 78.447,73 16.82,74 0.537,75 1.682,76 40.609,77 14.519,78 103.081,79 17.451,80 0.537,81 1.683,82 39.141,83 13.913,84 100.235,85 17.414,86 0.532,87 1.622,88 38.076,89 13.748,90 82.827,91 17.627,92 0.386,93 1.492,94 35.358,95 13.018,96 71.139,97 16.542,98 0.558,99 1.264,100 30.472,101 10.837,102 97.531,103 13.296,104 30,105 46,106 0.275,107 0.586,108 0.746,109 0.847,110 0.869,111 0.869,112 3.502,113 1.074,114 -4.38,115 -4.31,116 -4.07,118 42.1,120 4,121 1,124 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 21,181 1,186 7,191 4,194 21,195 1,198 9,203 5,206 15,207 1,210 6,215 3,218 15,219 2,222 11,227 4,229 13,230 3,234 8,235 1,239 4,242 10,243 3,246 1,247 6,250 1,252 5,255 11,256 1,259 3,264 3,267 7,268 1,270 1804,271 21.214,272 21.214,273 21.214,274 21.214,275 21.214,276 18.543,277 19.14,278 12.746,279 21.591,280 16.776,281 16.776,282 16.776,283 16.776,284 16.776,285 12.789,286 17.692,287 6.052,288 17.445,289 4.143,290 2.229,291 1.243,292 0.625,293 0.491,294 0.491,295 4.182,297 1,299 1,300 1,301 944,302 4.528,306 388.19,313 2.125,314 41.347,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 69.333,326 452,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.266,337 3.596,338 6.5,339 4.014,340 3.016,341 3.784,342 0.68,343 10.18,344 3.011,345 3.896,346 3.347,347 5.415,348 3.517,349 2.52,350 3.444,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.211,363 3.552,364 2.722,365 5.128,366 3.23,367 2.225,368 2.826,370 6.124,371 2.159,372 3.493,373 2.266,374 4.73,375 3.108,376 2.12,377 2.707,379 5.184,380 2.091,381 3.082,382 1.9,383 4.66,384 2.602,385 1.66,386 2.29,388 4.759,389 1.556,390 2.945,391 1.674,392 4.127,393 2.539,394 1.566,395 2.111,397 3.73,398 1.458,399 2.503,400 1.437,401 3.529,402 2.25,403 1.264,404 1.5,406 2.763,407 1.241,408 2.5,409 1.321,410 3.503,411 2.087,412 1.12,413 1.5,415 2.485,416 1.075,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.491,433 2.275,434 1,435 2.278,436 1,437 3.247,438 1.956,439 1,440 1.242,442 2.136,443 0.954,444 1.831,445 0.918,446 3.104,447 1.606,448 0.612,449 0.711,451 1.453,452 0.605,453 1.209,454 0.634,455 2.915,456 0.981,457 0.007,458 0.008,460 0.017,461 0.007,462 15.681,463 0.49,464 0.824,465 0.026,466 41.5,467 1.297,468 22.5,469 0.703,470 19,471 0.594,472 27.351,473 0.855,474 34.719,475 0.609,476 32.941,477 1.029,478 7.958,479 0.249,480 7.39,481 0.231,482 0.131,483 0.053,484 0.223,487 0.578,488 1.189,489 0.729,490 1.102,491 0.676,492 0.919,493 0.482,494 1.096,495 0.805,496 1.005,497 0.457,498 1.037,499 0.885,500 1.075,501 1.075,502 1.103,503 0.849,504 1.059,505 1.049,506 1.081,507 1.058,508 1.08,509 1.075,510 1.092,511 0.915,512 0.98,513 0.688,514 0.834,515 0.994,516 0.983,517 0.55,518 1.017,519 0.758,520 1.005,521 0.545,522 1.006,523 0.816,524 0.993,525 0.76,526 0.952,527 0.79,528 0.954,529 1.22,530 0.969,531 0.883,532 0.901,533 1.259,534 1.021,535 7,536 0.219,537 4,538 1.938,539 1.036,540 0.889,541 0.81,542 0.51,543 0.242,544 0.251,545 15080,546 50726,547 2.004,548 43.9,549 5,550 12,552 2,553 2,554 2,555 2,558 1.742,559 1.873,560 3.735,561 0.208,567 96.339,568 1.69,569 3.604,570 4.59,571 5.208,572 5.342,573 5.342,574 3.192,575 3.89,576 4.97,577 3.956,578 1962.37,579 8.679,580 30601,585 332.475,586 1.501,587 4.922,588 0.206,589 0.009,590 0.087,591 0.042,592 0.025,593 0.022,594 0.019,595 0.013,596 0.007,597 0.01,598 0.44,599 0.17,600 0.75,601 1.2,602 171.987,603 0.037,604 -0.035,605 0.125,606 -0.017,607 -0.105,608 0.043,609 0.251,610 -0.006,611 -0.003,612 -0.029,613 0.261,614 -0.086,615 -0.086,616 -0.064,617 -0.093,618 -0.061,619 -0.047,620 -0.056,621 -0.14,622 -0.09,623 -0.146,624 -0.092,625 -0.115,626 -0.107,627 -0.091,628 0.002,629 0.058,630 0.067,631 -0.131,632 -0.008,633 0.153,634 -0.033,635 0.1,636 -0.056,637 0.12,638 -0.001,639 -0.002,640 -0.044,641 0.053,642 -0.025,643 0.052,644 0.046,645 -0.08,646 -0.04,647 -0.063,648 -0.027,649 -0.087,650 -0.069,651 4.502,652 5.38,653 0.563,654 38.398,655 1.009,656 1.117,657 3.149,658 9.918,659 0.692,660 3.555,661 3.85,662 4.025,663 4.19,664 4.382,665 4.419,666 4.466,667 4.443,668 4.466,669 4.554,670 8.311,671 0.653,672 473.03,673 3.555,674 5.081,675 5.894,676 6.749,677 7.582,678 8.442,679 9.284,680 10.148,681 10.994,682 11.859,683 3.5,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 57,726 21,727 2,728 34,730 59,731 24,733 17,734 4,735 8,739 3,740 3,741 1,751 4,753 18,754 6,755 1,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 5,847 1,850 1,861 1,862 7,864 1,865 3,869 17.083,870 9.793,871 7.097,872 3.358,874 2.81,875 1.387,876 0.954,877 8.544,878 10.066,879 3.85,880 4.425,881 4.854,882 5.318,883 5.818,884 5.908,885 6.129,886 6.271,887 6.534,888 6.83,889 1,890 46,891 12.061,893 5.307,894 8.011,895 22.371,897 18.374,899 2.511,900 80.361,904 270.735,905 146.427,906 33.191,907 39.149,908 112.141,910 5.807,911 140.619,912 422.025,913 33.191,915 12.244,916 116.975,917 153.379,918 32.703,920 247.193,921 39.149,922 270.735,923 173.81,924 112.141,925 44.956,927 247.193,928 135.683,931 46.744,932 110.28,933 61.742,935 270.735,936 145.332,937 185.575,939 5.807,940 270.735,941 27.762,942 112.857,943 16.405,944 168.075,945 270.735,946 145.332,947 185.575,949 0.576,950 0.313,951 0.155,952 0.086,953 19,954 9,955 0.186,956 11,958 1,959 4.364,960 269.049,962 18,963 150,967 1,968 24.091,969 11.349,970 7.24,972 145.332,973 21.427,974 4.196,978 3.785,980 59.088,981 601.642,982 46,986 -3.586,987 35.669,991 -0.8,994 57.516,995 63.681,996 0.29,997 0.618,998 0.787,999 0.893,1000 0.916,1001 0.916,1002 5.066,1003 1.566,1004 5.889,1005 4.759,1006 4.533,1007 5.112,1008 2.35,1009 6.681,1010 4.458,1011 6.28,1012 1.264,1013 7.446,1014 3.73,1015 4.205,1016 5.066,1017 2.243,1018 7.84,1019 4.025,1020 7.603,1021 1.12,1022 9.123,1023 2.763,1024 6.151,1025 7.346,1026 3.64,1027 10.835,1028 5.988,1029 8.971,1030 1,1031 10.879,1032 2.485,1033 6.661,1034 8.138,1035 4.112,1036 12.881,1037 6.376,1038 10.377,1039 1,1040 12.691,1041 2.275,1042 8.113,1043 9.946,1044 5.203,1045 15.497,1046 7.831,1047 11.813,1048 1,1049 14.542,1050 2.275,1051 9,1052 11.122,1053 5.889,1054 17.844,1055 8.598,1056 13.273,1057 0.612,1058 16.423,1059 2.136,1060 10.274,1061 12.757,1062 6.849,1063 20.369,1064 9.845,1065 3.374,1066 0.007,1067 18.326,1068 1.453,1069 11.333,1070 14.12,1071 7.625,1072 22.817,1073 10.793,1074 3.016,1075 12.404,1076 20.246,1077 0.017,1078 12.546,1079 15.689,1080 8.526,1081 25.322,1082 11.954,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.144,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.784,1096 14.877,1097 18.691,1098 10.216,1099 30.309,1100 14.115,1101 2.225,1102 6.321,1103 26.071,1104 3.444,1105 16.048,1106 20.191,1107 11.051,1108 32.808,1109 15.189,1110 2.12,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.732,1116 11.912,1117 35.315,1118 16.304,1119 1.66,1120 5.184,1121 29.988,1122 2.826,1123 18.429,1124 23.255,1125 12.755,1126 37.821,1127 17.397,1128 14779,1129 27312,1130 22.246,1131 39.472,1132 50.166,1133 51.553,1134 51.09,1135 50.044,1136 49.767,1137 66.408,1138 6.042,1139 138.419,1140 47.884,1141 5.752,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.48,1151 1.475,1152 1.516,1153 1.503,1154 1.472,1155 1.464,1156 1.953,1157 0.178,1158 4.071,1159 1.408,1160 4.085,1161 4.08,1162 4.736,1163 4.068,1164 7.717,1165 3.991,1166 3.994,1167 4.005,1168 3.946,1169 3.944,1170 7.474,1171 3.925,1172 3.818,1173 3.857,1174 3.923,1175 3.734,1176 6.999,1177 3.732,1178 3.675,1179 3.716,1180 3.746,1181 3.579,1182 6.351,1183 3.524,1184 3.645,1185 3.655,1186 3.557,1187 3.51,1188 4.932,1189 3.496,1190 3.386,1191 3.408,1192 3.3,1193 3.251,1194 4.901,1195 3.236,1196 3.225,1197 3.263,1198 3.168,1199 3.03,1200 4.708,1201 3.028,1202 2.919,1203 2.967,1204 3.078,1205 2.735,1206 4.267,1207 2.727,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.069,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.995,1227 1.977,1228 2.11,1229 2.077,1230 1.386,1231 2.095,1232 1.949,1233 1.951,1234 1.965,1235 2.014,1236 1.232,1237 2.051,1238 1.812,1239 1.776,1240 1.945,1241 1.921,1242 1.138,1243 1.934,1244 1.647,1245 1.599,1246 1.859,1247 1.832,1248 1.022,1249 1.841,1250 1.535,1251 1.526,1252 1.695,1253 1.711,1254 0.866,1255 1.735,1256 1.312,1257 1.3,1258 1.455,1259 1.498,1260 0.655,1261 1.509,1262 1.163,1263 1.125,1264 1.181,1265 1.377,1266 0.508,1267 1.403,1268 0.886,1269 0.827,1270 1.181,1271 1.124,1272 0.281,1273 1.129,1274 4.234,1276 5.533,1278 7.02,1280 8.589,1282 10.201,1285 5.817,1289 8.961,1290 2.225,1291 2.61,1294 0.056,1300 37.238,1301 96.339,1302 205.427,1303 261.646,1304 296.865,1305 304.475,1306 304.475,1307 88.712,1308 7.256,1309 96.36,1310 104.74,1311 18,1312 12.41,1313 4.459,1314 3.7,1315 61.445,1316 164,1317 156,1318 0.183,1319 238.57,1320 418.46,1321 573.87,1322 14126,1323 1.8,1324 22.976,1325 0.718,1326 0.594,1327 23.726,1328 19.019,1329 15.348,1330 0.451,1331 0.358,1332 10.375,1333 13.851,1334 10.005,1335 8.278,1336 16.458,1337 12.169,1338 14.005,1339 0.304,1340 0.21,1341 15.737,1342 9.672,1343 10.626,1344 0.193,1345 0.126,1346 12.022,1347 6.911,1348 8.178,1349 0.126,1350 0.072,1351 9.199,1352 4.667,1353 6.389,1354 0.081,1355 0.043,1356 7.348,1357 3.369,1358 0.297,1359 106.557,1360 0.212,1361 30.593,1362 0.477,1363 160,1364 502.398,1365 223.911,1366 537.479,1367 698.79,1368 492,1369 181,1370 440.182,1371 243.974,1372 493.194,1373 705.9,1374 462,1375 7.009} {0 CHEMBL126494,1 1.808,2 14.727,3 3.756,4 14.104,5 124.791,6 8.873,7 0.514,8 4.107,9 4.19,10 3.931,11 3.703,12 5.296,13 3.67,14 4.603,15 4.727,16 4.199,17 4.055,18 6.007,19 4.002,20 4.86,21 5.031,22 4.228,23 4.165,24 6.057,25 4.083,26 4.878,27 5.055,28 4.142,29 4.074,30 6.172,31 4.007,32 4.815,33 5.002,34 4.156,35 4.053,36 6.019,37 3.982,38 4.789,39 4.973,40 4.154,41 4.107,42 5.987,43 4.015,44 4.847,45 5.06,46 3.978,47 4.105,48 5.938,49 3.996,50 4.802,51 5.009,52 3.949,53 4.017,54 5.977,55 3.925,56 0.201,57 0.774,58 10.957,59 5.328,60 26.969,61 5.67,62 0.541,63 1.194,64 18.333,65 8.614,66 81.942,67 9.662,68 0.626,69 1.47,70 33.476,71 11.937,72 82.734,73 13.042,74 0.922,75 1.47,76 34.324,77 11.276,78 116.353,79 12.139,80 0.786,81 1.374,82 30.209,83 10.337,84 94.248,85 11.645,86 0.595,87 1.369,88 28.46,89 10.948,90 62.647,91 13.046,92 0.54,93 1.42,94 30.829,95 11.802,96 71.967,97 14.599,98 0.566,99 1.313,100 28.657,101 10.87,102 67.826,103 13.405,104 31,105 47,106 0.295,107 0.622,108 0.765,109 0.858,110 0.866,111 0.866,112 3.531,113 1.018,114 -3.94,115 -3.9,116 -3.7,118 41.8,120 2,124 2,140 10,141 3,142 2,143 2,153 1,154 1,162 1,163 1,167 1,168 11,169 1,171 1,172 6,175 3,177 2,180 14,186 11,187 1,191 3,194 12,197 2,198 13,199 1,201 1,203 4,206 6,209 2,210 8,213 1,215 2,218 9,222 10,227 2,229 11,230 2,234 9,239 2,242 11,243 3,247 6,248 1,250 1,252 4,255 11,256 3,258 1,259 3,262 2,264 4,267 8,268 1,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 14.579,278 13.246,279 22.409,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 12.966,286 8.676,287 6.299,288 18.1,289 3.973,290 1.968,291 1.09,292 0.523,293 0.473,294 0.473,295 4.212,297 1,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 45.715,317 1,318 0.67,319 0.83,320 0.6,322 0.83,323 0.5,324 0.63,325 72.833,326 486,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.373,334 12.404,335 3.063,336 4.38,337 4.002,338 6.5,339 4.002,340 3.016,341 3.968,342 2.341,343 10.18,344 2.973,345 3.909,346 3.593,347 5.415,348 3.515,349 2.52,350 3.471,352 7.106,353 2.508,354 3.834,355 2.959,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.2,363 3.555,364 2.898,365 5.128,366 3.23,367 2.232,368 2.922,370 6.124,371 2.159,372 3.53,373 2.69,374 4.73,375 3.11,376 2.124,377 2.709,379 5.184,380 2.09,381 3.086,382 2.178,383 4.659,384 2.613,385 1.671,386 2.292,388 4.759,389 1.56,390 3.046,391 1.896,392 4.148,393 2.556,394 1.609,395 2.224,397 3.814,398 1.46,399 2.721,400 1.62,401 3.564,402 2.346,403 1.4,404 1.75,406 2.947,407 1.313,408 2.5,409 1.436,410 3.526,411 2.097,412 1.133,413 1.5,415 2.52,416 1.085,417 2.5,418 1.307,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.312,436 1,437 3.282,438 1.956,439 1,440 1.274,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.796,448 0.84,449 1.074,451 1.989,452 0.795,453 1.38,454 0.94,455 2.951,456 1.199,457 0.206,458 0.227,460 0.465,461 0.203,462 15.914,463 0.482,464 0.824,465 0.025,466 44.25,467 1.341,468 24,469 0.727,470 20.25,471 0.614,472 25.836,473 0.783,474 35.686,475 0.649,476 36.735,477 1.113,478 8.946,479 0.271,480 6.903,481 0.209,482 0.129,483 0.052,484 0.22,487 0.594,488 1.19,489 0.7,490 1.106,491 0.69,492 0.891,493 0.648,494 1.115,495 0.806,496 0.98,497 0.52,498 0.989,499 1.067,500 1.146,501 1.142,502 1.118,503 0.968,504 1.033,505 1.192,506 1.075,507 1.151,508 1.064,509 1.219,510 1.043,511 1.08,512 0.922,513 0.705,514 0.762,515 0.987,516 0.908,517 0.608,518 1.066,519 0.846,520 1.091,521 0.481,522 1.089,523 0.72,524 0.989,525 0.833,526 0.988,527 0.745,528 1.051,529 0.856,530 0.974,531 0.813,532 0.948,533 0.844,534 1.053,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 60914,547 2.004,548 40,550 14,552 2,553 2,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.252,563 1,567 99.461,568 1.808,569 3.813,570 4.691,571 5.259,572 5.309,573 5.309,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 317.975,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.33,600 0.75,601 1.33,602 179.449,603 0.071,604 -0.034,605 0.122,606 -0.031,607 -0.11,608 0.029,609 0.158,610 -0.027,611 -0.008,612 -0.008,613 0.227,614 -0.068,615 -0.162,616 -0.117,617 -0.12,618 -0.068,619 -0.098,620 -0.049,621 -0.105,622 -0.042,623 -0.182,624 -0.075,625 -0.12,626 -0.1,627 -0.089,628 0.087,629 0.068,630 0.139,631 -0.103,632 0.035,633 0.102,634 -0.063,635 0.028,636 -0.118,637 0.121,638 -0.085,639 -0.028,640 -0.031,641 -0.023,642 -0.048,643 -0.018,644 -0.022,645 -0.042,646 -0.045,647 -0.01,648 -0.061,649 -0.023,650 -0.045,651 4.533,652 5.375,653 0.545,654 41.971,655 1.021,656 1.119,657 2.712,658 7.356,659 0.698,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.671,672 488,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 5.5,685 1,692 1,693 1,699 12,700 1,704 5,706 18,709 1,723 1,724 55,726 22,727 2,728 35,730 57,731 23,733 17,734 4,735 8,736 1,739 3,740 3,741 1,751 2,753 19,754 4,756 4,760 1,761 3,764 1,765 2,772 22,773 8,774 2,775 10,776 2,779 3,784 1,785 5,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 4,847 1,848 1,861 1,862 9.1,864 1,865 3,867 1,869 17.583,870 9.576,871 7.347,872 3.066,874 2.924,875 1.4,876 0.951,877 8.837,878 10.227,879 3.892,880 4.472,881 4.929,882 5.407,883 5.91,884 6.058,885 6.313,886 6.462,887 6.692,888 6.97,889 0.9,890 47,891 12.382,893 5.413,894 8.097,895 22.575,897 18.051,899 2.597,900 85.694,904 235.422,905 148.707,906 52.59,907 39.149,908 123.36,910 5.807,911 142.899,912 397.931,913 52.59,915 11.767,916 116.975,917 156.136,918 63.322,920 211.88,921 39.149,922 235.422,923 195.49,924 123.36,925 44.956,927 211.88,928 146.902,931 65.667,932 113.037,933 61.742,935 235.422,936 175.95,937 187.855,939 5.807,940 235.422,941 30.042,942 112.857,943 16.405,944 198.694,945 235.422,946 175.95,947 187.855,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.193,956 11,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 24.715,969 11.799,970 7.568,972 175.95,973 20.265,974 4.095,978 3.021,980 59.088,981 599.228,982 48,986 -3.617,987 35.427,990 4.112,991 -0.451,994 56.178,995 61.558,996 0.313,997 0.66,998 0.811,999 0.91,1000 0.918,1001 0.918,1002 5.103,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.159,1008 3.036,1009 6.691,1010 4.465,1011 6.322,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.014,1020 7.647,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.406,1026 4.616,1027 10.837,1028 5.976,1029 9.018,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.355,1038 10.427,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 10.012,1044 6.289,1045 15.497,1046 7.803,1047 11.866,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.564,1056 13.328,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.823,1062 7.991,1063 20.369,1064 9.805,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.747,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.75,1080 9.704,1081 25.322,1082 11.902,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 12.931,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 11.42,1099 30.309,1100 14.053,1101 2.232,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 11.051,1108 32.808,1109 15.122,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 13.139,1117 35.314,1118 16.232,1119 1.671,1120 5.184,1121 29.988,1122 2.922,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.32,1128 16206,1129 31314,1130 22.94,1131 38.409,1132 51.442,1133 54.746,1134 52.276,1135 51.329,1136 51.047,1137 69.004,1138 9.428,1139 140.992,1140 48.727,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 4.746,1148 19.555,1149 5.063,1150 17.959,1151 1.47,1152 1.564,1153 1.494,1154 1.467,1155 1.458,1156 1.972,1157 0.269,1158 4.028,1159 1.392,1160 4.082,1161 4.071,1162 4.736,1163 4.067,1164 7.717,1165 3.985,1166 3.977,1167 3.992,1168 3.943,1169 3.918,1170 7.474,1171 3.909,1172 3.815,1173 3.855,1174 3.923,1175 3.725,1176 6.999,1177 3.726,1178 3.657,1179 3.677,1180 3.745,1181 3.578,1182 6.351,1183 3.512,1184 3.639,1185 3.655,1186 3.547,1187 3.422,1188 5.008,1189 3.441,1190 3.375,1191 3.398,1192 3.314,1193 3.25,1194 4.926,1195 3.232,1196 3.177,1197 3.208,1198 3.169,1199 2.95,1200 4.798,1201 2.96,1202 2.962,1203 2.992,1204 3.074,1205 2.735,1206 4.654,1207 2.715,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.068,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.373,1224 12.404,1225 3.063,1226 1.974,1227 1.971,1228 2.066,1229 2.058,1230 1.261,1231 2.079,1232 1.941,1233 1.931,1234 1.954,1235 2.007,1236 1.149,1237 2.033,1238 1.801,1239 1.765,1240 1.923,1241 1.917,1242 1.037,1243 1.925,1244 1.563,1245 1.535,1246 1.787,1247 1.81,1248 1.006,1249 1.797,1250 1.537,1251 1.519,1252 1.694,1253 1.713,1254 0.866,1255 1.737,1256 1.295,1257 1.287,1258 1.266,1259 1.455,1260 0.531,1261 1.479,1262 1.066,1263 1.025,1264 1.181,1265 1.344,1266 0.322,1267 1.303,1268 0.886,1269 0.821,1270 1.181,1271 1.155,1272 0.218,1273 1.144,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1285 5.81,1289 8.754,1290 0.507,1291 2.579,1292 5.192,1300 36.921,1301 99.461,1302 209.736,1303 258.001,1304 289.22,1305 291.975,1306 291.975,1307 89.379,1308 7.302,1309 117.95,1310 126.33,1311 18,1312 12.417,1313 4.524,1314 3.807,1315 64.462,1316 172,1317 168,1318 0.18,1319 236.841,1320 418.31,1321 569.651,1322 15053,1323 1.8,1324 23.684,1325 0.718,1326 0.578,1327 24.434,1328 19.09,1329 15.848,1330 0.453,1331 0.339,1332 10.039,1333 14.146,1334 9.698,1335 8.017,1336 16.958,1337 11.878,1338 14.359,1339 0.306,1340 0.195,1341 16.09,1342 9.161,1343 10.876,1344 0.194,1345 0.112,1346 12.272,1347 6.284,1348 8.348,1349 0.126,1350 0.061,1351 9.37,1352 4.032,1353 6.556,1354 0.082,1355 0.036,1356 7.514,1357 2.875,1358 0.293,1359 111.011,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 581.779,1365 232.51,1366 605.834,1367 789.58,1368 556,1369 185,1370 510.387,1371 253.128,1372 557.814,1373 797,1374 522,1375 7.222} {0 CHEMBL126577,1 1.652,2 14.486,3 5.412,4 29.286,5 137.913,6 8.243,7 0.474,8 4.212,9 4.304,10 3.976,11 3.853,12 5.296,13 3.797,14 4.755,15 4.893,16 4.284,17 4.257,18 6.045,19 4.174,20 5.067,21 5.26,22 4.345,23 4.428,24 6.119,25 4.304,26 5.126,27 5.326,28 4.281,29 4.413,30 6.198,31 4.283,32 5.127,33 5.331,34 4.305,35 4.398,36 6.217,37 4.28,38 5.102,39 5.31,40 4.306,41 4.409,42 6.197,43 4.288,44 5.113,45 5.338,46 4.16,47 4.404,48 6.072,49 4.264,50 5.114,51 5.354,52 4.132,53 4.318,54 6.129,55 4.182,56 0.107,57 0.838,58 13.86,59 6.255,60 22.975,61 7.308,62 0.404,63 1.382,64 23.431,65 10.717,66 81.043,67 13.224,68 0.397,69 1.825,70 40.677,71 15.558,72 79.045,73 18.795,74 0.492,75 1.918,76 46.034,77 16.705,78 96.792,79 19.737,80 0.571,81 1.882,82 43.985,83 15.888,84 112.45,85 19.024,86 0.557,87 1.858,88 39.463,89 15.306,90 93.129,91 19.563,92 0.296,93 1.883,94 39.555,95 16.217,96 60.913,97 21.309,98 0.372,99 1.83,100 40.306,101 15.614,102 74.911,103 20.673,104 31,105 53,106 0.263,107 0.594,108 0.761,109 0.886,110 0.891,111 0.891,112 3.588,113 1.058,114 -4.91,115 -4.82,116 -4.52,118 43.5,120 6,126 1,133 1,134 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 19,169 1,171 1,172 3,175 3,177 3,180 26,181 1,186 7,191 5,194 27,195 1,198 11,203 5,206 20,207 1,210 8,215 3,218 23,219 1,222 10,227 3,229 24,230 2,234 9,239 3,242 19,243 3,247 7,248 1,252 5,255 16,256 3,258 1,259 5,262 1,264 5,267 10,268 2,270 2309,271 23.316,272 23.316,273 23.316,274 23.316,275 23.316,276 20.437,277 17.083,278 13.894,279 23.695,280 18.791,281 18.791,282 18.791,283 18.791,284 18.791,285 14.427,286 10.837,287 6.654,288 19.468,289 4.303,290 2.22,291 1.17,292 0.387,293 0.355,294 0.355,295 4.282,297 1,300 1,301 1077,302 4.528,306 463.315,310 173.491,313 2.359,314 44.174,317 0.75,318 0.83,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.75,325 75.333,326 507,327 4.852,328 4.686,329 7.308,330 4.313,331 3.393,332 4.7,333 2.341,334 12.509,335 3.109,336 4.432,337 3.596,338 6.525,339 4.071,340 3.073,341 4.063,343 10.291,344 3.053,345 4.149,346 3.197,347 6.169,348 3.823,349 2.828,350 3.68,352 9.172,353 2.81,354 3.839,355 2.955,356 5.367,357 3.345,358 2.418,359 3.395,361 6.852,362 2.253,363 3.596,364 2.898,365 5.191,366 3.237,367 2.246,368 3.007,370 6.281,371 2.219,372 3.548,373 2.413,374 5.064,375 3.209,376 2.231,377 2.71,379 6.024,380 2.127,381 3.272,382 2.139,383 4.659,384 3.012,385 2.041,386 2.391,388 5.184,389 1.965,390 3.06,391 1.9,392 4.63,393 2.618,394 1.618,395 2.251,397 4.59,398 1.618,399 2.976,400 1.881,401 4.424,402 2.596,403 1.61,404 2.098,406 4.377,407 1.584,408 2.919,409 1.704,410 4.139,411 2.504,412 1.549,413 2.045,415 3.768,416 1.41,417 2.72,418 1.47,419 3.564,420 2.374,421 1.395,422 1.745,424 2.946,425 1.361,426 2.5,427 1.128,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.319,438 1.957,439 1,440 1.5,442 2.136,443 0.954,444 2.233,445 1,446 3.289,447 1.869,448 0.874,449 1.121,451 2.069,452 0.867,453 1.926,454 0.822,455 3.247,456 1.705,457 0.708,458 0.835,460 1.706,461 0.705,462 17.181,463 0.491,464 0.943,465 0.027,466 45,467 1.286,468 24,469 0.686,470 21,471 0.6,472 32.497,473 0.928,474 37.419,475 0.604,476 36.604,477 1.046,478 8.465,479 0.242,480 8.35,481 0.239,482 0.119,483 0.049,484 0.262,487 0.568,488 1.139,489 0.723,490 1.066,491 0.664,492 0.897,493 0.461,494 1.092,495 0.785,496 0.99,497 0.437,498 1.011,499 0.882,500 1.042,501 1.028,502 1.039,503 0.822,504 1.022,505 1.018,506 1.085,507 1.128,508 1.141,509 1.025,510 1.069,511 1.105,512 0.982,513 0.803,514 0.896,515 1.237,516 0.976,517 0.64,518 1.003,519 0.779,520 0.977,521 0.687,522 1.049,523 0.527,524 1.073,525 0.779,526 1.032,527 0.519,528 1.086,529 0.7,530 1.035,531 0.713,532 0.921,533 0.662,534 1.011,535 8,536 0.322,537 4.222,538 2.313,539 1.88,540 1.056,541 0.786,542 0.641,543 0.438,544 0.325,545 18788,546 60113,547 2.051,548 43.5,549 6,550 11,552 2,553 2,554 2,555 4,558 1.767,559 1.918,560 3.771,561 0.162,567 102.396,568 1.652,569 3.734,570 4.784,571 5.567,572 5.599,573 5.599,574 3.226,575 4.651,576 5.095,577 3.98,578 2367.89,579 8.946,580 38040.1,585 369.16,586 1.513,587 5.053,588 0.211,589 0.011,590 0.08,591 0.043,592 0.037,593 0.021,594 0.015,595 0.013,596 0.01,597 0.009,598 0.449,599 0.17,600 0.88,601 1.28,602 191.413,603 0.04,604 -0.013,605 0.123,606 -0.003,607 -0.1,608 0.053,609 0.255,610 -0.02,611 0.01,612 -0.023,613 0.264,614 -0.065,615 -0.087,616 -0.021,617 -0.062,618 -0.015,619 -0.046,620 -0.03,621 -0.117,622 -0.068,623 -0.136,624 -0.09,625 -0.084,626 -0.075,627 -0.137,628 0.008,629 0.004,630 0.055,631 -0.159,632 -0.006,633 0.085,634 -0.014,635 0.022,636 -0.054,637 0.037,638 -0.063,639 0.032,640 -0.11,641 -0.017,642 -0.101,643 0.031,644 -0.071,645 0.02,646 -0.094,647 0.065,648 -0.033,649 0.037,650 -0.007,651 4.539,652 5.787,653 0.629,654 45.913,655 1.006,656 1.114,657 3.683,658 13.566,659 0.697,660 3.664,661 3.989,662 4.205,663 4.443,664 4.691,665 4.771,666 4.92,667 5.075,668 5.193,669 5.268,670 8.345,671 0.657,672 511.08,673 3.664,674 5.209,675 6.043,676 6.919,677 7.774,678 8.656,679 9.521,680 10.408,681 11.279,682 12.169,683 3.2,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 62,726 22,727 2,728 38,730 65,731 27,733 17,734 5,735 7,736 2,739 4,740 5,741 1,748 4,751 7,753 20,754 7,756 4,760 1,761 3,763 1,765 2,772 27,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 35,844 1,845 1,846 6,847 1,850 1,861 1,862 6.5,864 1,865 3,869 18.25,870 10.793,871 7.625,872 3.768,874 2.999,875 1.377,876 0.975,877 8.147,878 10.963,879 3.951,880 4.549,881 5.026,882 5.539,883 6.061,884 6.269,885 6.593,886 6.859,887 7.159,888 7.439,889 0.9,890 54,891 13.213,893 5.904,894 7.934,895 24.737,897 20.828,899 2.434,900 85.194,904 294.278,905 155.761,906 33.191,907 39.149,908 112.141,910 5.807,911 149.954,912 445.567,913 33.191,915 15.207,916 116.975,917 153.379,918 39.074,920 270.735,921 39.149,922 294.278,923 183.144,924 112.141,925 44.956,927 247.193,928 159.226,931 49.707,932 107.175,933 71.218,935 294.278,936 145.332,937 194.91,939 5.807,940 294.278,941 37.096,942 112.857,943 16.405,944 168.075,945 294.278,946 145.332,947 194.91,949 0.582,950 0.32,951 0.166,952 0.094,953 24,954 11,955 0.138,956 9,957 1,958 1.091,959 4.556,960 323.277,961 0.091,962 22,963 173.525,967 1,968 25.28,969 11.28,970 6.652,972 145.332,973 19.856,974 4.241,978 5.051,980 59.088,981 634.519,982 51,986 -3.622,987 36.447,989 2.077,991 0.23,994 62.4,995 69.096,996 0.277,997 0.627,998 0.804,999 0.935,1000 0.94,1001 0.94,1002 5.19,1003 1.618,1004 6.047,1005 5.184,1006 4.673,1007 5.236,1008 2.258,1009 6.868,1010 4.607,1011 6.415,1012 1.61,1013 7.617,1014 4.59,1015 4.369,1016 5.215,1017 2.243,1018 7.997,1019 4.21,1020 7.748,1021 1.549,1022 9.302,1023 4.377,1024 6.312,1025 7.484,1026 3.628,1027 11.032,1028 6.168,1029 9.121,1030 1.395,1031 11.059,1032 3.768,1033 6.825,1034 8.293,1035 4.112,1036 13.026,1037 6.578,1038 10.533,1039 1,1040 12.867,1041 2.946,1042 8.281,1043 10.09,1044 5.201,1045 15.661,1046 8.036,1047 11.972,1048 1,1049 14.712,1050 2.275,1051 9.167,1052 11.277,1053 5.889,1054 17.977,1055 8.821,1056 13.434,1057 0.874,1058 16.584,1059 2.136,1060 10.443,1061 12.9,1062 6.849,1063 20.506,1064 10.075,1065 3.393,1066 0.708,1067 18.477,1068 2.069,1069 11.5,1070 14.265,1071 7.625,1072 22.94,1073 11.039,1074 3.073,1075 12.509,1076 20.387,1077 1.706,1078 12.713,1079 15.823,1080 8.526,1081 25.447,1082 12.208,1083 2.828,1084 10.291,1085 22.309,1086 4.7,1087 13.846,1088 17.273,1089 9.342,1090 27.928,1091 13.256,1092 2.418,1093 9.172,1094 24.242,1095 4.063,1096 15.041,1097 18.809,1098 10.216,1099 30.434,1100 14.391,1101 2.246,1102 6.852,1103 26.183,1104 3.68,1105 16.21,1106 20.302,1107 11.051,1108 32.935,1109 15.476,1110 2.231,1111 6.281,1112 28.131,1113 3.395,1114 17.403,1115 21.833,1116 11.912,1117 35.446,1118 16.599,1119 2.041,1120 6.024,1121 30.085,1122 3.007,1123 18.589,1124 23.347,1125 12.755,1126 37.957,1127 17.702,1128 18110,1129 32590,1130 25.137,1131 43.233,1132 56.81,1133 58.523,1134 57.719,1135 56.659,1136 56.363,1137 74.513,1138 4.682,1139 161.285,1140 54.456,1141 5.797,1142 6.686,1143 7.11,1144 5.367,1145 5.393,1146 7.7,1147 3.925,1148 19.856,1149 5.109,1150 18.499,1151 1.495,1152 1.54,1153 1.519,1154 1.491,1155 1.483,1156 1.961,1157 0.123,1158 4.244,1159 1.433,1160 4.111,1161 4.116,1162 4.737,1163 4.084,1164 7.717,1165 4.027,1166 4.005,1167 4.003,1168 3.988,1169 3.976,1170 7.474,1171 3.938,1172 3.862,1173 3.9,1174 3.926,1175 3.78,1176 6.999,1177 3.778,1178 3.701,1179 3.746,1180 3.79,1181 3.586,1182 6.351,1183 3.56,1184 3.652,1185 3.665,1186 3.584,1187 3.549,1188 4.937,1189 3.516,1190 3.489,1191 3.496,1192 3.431,1193 3.388,1194 4.912,1195 3.357,1196 3.328,1197 3.36,1198 3.229,1199 3.165,1200 4.71,1201 3.166,1202 3.12,1203 3.187,1204 3.152,1205 2.98,1206 4.283,1207 2.962,1208 0.128,1209 0.123,1210 0.192,1211 0.114,1212 0.089,1213 4.852,1214 0.124,1215 4.686,1216 0.062,1217 7.308,1218 0.329,1219 4.313,1220 0.082,1221 3.393,1222 4.7,1223 2.341,1224 12.509,1225 3.109,1226 2.037,1227 2.018,1228 2.14,1229 2.113,1230 1.447,1231 2.133,1232 1.948,1233 1.954,1234 1.997,1235 2.011,1236 1.269,1237 2.043,1238 1.852,1239 1.818,1240 1.95,1241 1.955,1242 1.153,1243 1.97,1244 1.683,1245 1.635,1246 1.889,1247 1.857,1248 1.055,1249 1.869,1250 1.578,1251 1.553,1252 1.739,1253 1.725,1254 0.889,1255 1.743,1256 1.384,1257 1.397,1258 1.513,1259 1.548,1260 0.768,1261 1.573,1262 1.28,1263 1.245,1264 1.464,1265 1.478,1266 0.67,1267 1.492,1268 1.129,1269 1.069,1270 1.204,1271 1.319,1272 0.52,1273 1.359,1274 4.344,1276 5.666,1278 7.18,1280 8.782,1282 10.43,1285 5.886,1289 8.934,1290 3.438,1291 2.84,1294 -0.182,1300 40.765,1301 102.396,1302 231.506,1303 296.631,1304 345.16,1305 347.16,1306 347.16,1307 87.458,1308 7.964,1309 96.36,1310 104.74,1311 24,1312 12.702,1313 4.524,1314 3.807,1315 59.581,1316 177,1317 180,1318 0.165,1319 257.026,1320 455.36,1321 618.904,1322 32746,1323 1.6,1324 24.838,1325 0.71,1326 0.592,1327 25.588,1328 20.726,1329 16.815,1330 0.442,1331 0.353,1332 11.61,1333 15.346,1334 11.21,1335 9.25,1336 17.924,1337 13.402,1338 15.662,1339 0.296,1340 0.204,1341 17.371,1342 10.794,1343 12.128,1344 0.184,1345 0.12,1346 13.521,1347 7.896,1348 9.9,1349 0.118,1350 0.068,1351 11.089,1352 5.745,1353 8.145,1354 0.075,1355 0.041,1356 9.255,1357 4.375,1358 0.264,1359 115.309,1360 0.199,1361 32.582,1362 0.44,1363 182,1364 538.398,1365 246.244,1366 575.067,1367 757.97,1368 528,1369 210,1370 491.464,1371 274.977,1372 546.457,1373 788.54,1374 513,1375 8.097} {0 CHEMBL126654,1 1.621,2 13.4,3 3.727,4 13.888,5 116.818,6 8.126,7 0.563,8 4.034,9 4.124,10 3.806,11 3.663,12 5.189,13 3.615,14 4.528,15 4.661,16 4.065,17 4.023,18 5.937,19 3.956,20 4.771,21 4.94,22 4.084,23 4.171,24 5.92,25 4.066,26 4.871,27 5.065,28 4.03,29 4.141,30 6.037,31 4.034,32 4.86,33 5.067,34 4.052,35 4.082,36 6.077,37 3.995,38 4.793,39 4.98,40 3.992,41 4.008,42 6.111,43 3.918,44 4.729,45 4.942,46 3.703,47 3.858,48 5.96,49 3.76,50 4.457,51 4.673,52 3.486,53 3.712,54 5.498,55 3.586,56 0.107,57 0.711,58 12.052,59 5.191,60 21.145,61 5.826,62 0.405,63 1.119,64 18.756,65 8.347,66 73.13,67 9.967,68 0.264,69 1.401,70 28.3,71 11.604,72 54.3,73 13.496,74 0.37,75 1.497,76 32.455,77 12.406,78 76.923,79 14.678,80 0.397,81 1.454,82 29.862,83 11.423,84 76.802,85 13.904,86 0.474,87 1.367,88 31.886,89 11.339,90 79.387,91 12.825,92 0.545,93 1.221,94 28.938,95 9.951,96 104.85,97 11.491,98 0.235,99 0.955,100 19.254,101 8.002,102 52.714,103 10.24,104 28,105 44,106 0.267,107 0.594,108 0.747,109 0.833,110 0.855,111 0.855,112 3.44,113 1.016,114 -3.62,115 -3.59,116 -3.42,118 44.2,119 1,120 1,124 1,133 1,134 1,140 10,141 4,142 1,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 21,181 1,186 7,191 4,194 18,195 2,198 10,203 6,206 10,207 3,210 9,211 1,215 6,218 9,219 3,221 1,222 11,225 1,227 5,229 9,230 1,234 6,239 2,242 9,243 1,247 4,252 3,255 11,259 2,264 1,265 1,267 9,270 1484,271 19.8,272 19.8,273 19.8,274 19.8,275 19.8,276 16.998,277 10.966,278 11.807,279 20.041,280 15.793,281 15.793,282 15.793,283 15.793,284 15.793,285 11.561,286 5.906,287 5.607,288 16.186,289 4.08,290 2.096,291 1.168,292 0.644,293 0.515,294 0.515,295 4.119,299 1,300 1,301 845,302 4.301,306 357.656,313 2.04,314 38.608,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 65,326 402,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 1.437,334 12.404,335 3.066,336 4.398,337 3.494,338 6.512,339 4.028,340 3.03,341 3.988,343 10.239,344 3.025,345 3.914,346 2.98,347 5.415,348 3.521,349 2.523,350 3.475,352 7.109,353 2.517,354 3.834,355 2.691,356 5.154,357 3.398,358 2.399,359 3.393,361 6.321,362 2.396,363 3.616,364 2.561,365 5.129,366 3.171,367 2.177,368 2.999,370 6.129,371 2.149,372 3.427,373 2.176,374 4.73,375 3.057,376 2.057,377 2.654,379 5.185,380 2.043,381 3.082,382 1.848,383 4.686,384 2.635,385 1.651,386 2.29,388 4.758,389 1.621,390 2.949,391 1.547,392 3.92,393 2.461,394 1.489,395 2.111,397 3.334,398 1.444,399 2.5,400 1.279,401 3.527,402 2.106,403 1.135,404 1.5,406 2.538,407 1.099,408 2.5,409 1,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.457,427 1,428 3.38,429 1.957,430 1,431 1.341,433 2.136,434 0.954,435 2.248,436 0.973,437 3.247,438 1.765,439 0.775,440 1.121,442 1.983,443 0.763,444 1.269,445 0.528,446 2.949,447 0.985,448 0.008,449 0.009,451 0.019,452 0.007,453 1.119,454 0.439,455 2.609,456 0.752,457 -0.229,458 -0.289,460 -0.505,461 -0.222,462 14.467,463 0.482,464 0.824,465 0.027,466 41.75,467 1.392,468 24,469 0.8,470 17.75,471 0.592,472 22.012,473 0.734,474 31.733,475 0.61,476 33.676,477 1.123,478 8.378,479 0.279,480 5.97,481 0.199,482 0.127,483 0.058,484 0.242,487 0.589,488 1.144,489 0.824,490 1.13,491 0.704,492 0.904,493 0.48,494 0.987,495 0.874,496 0.962,497 0.451,498 0.958,499 0.839,500 1.124,501 1.183,502 1.183,503 0.814,504 1.103,505 1.008,506 1.126,507 1.139,508 1.14,509 1.032,510 1.092,511 1.106,512 1.003,513 0.839,514 0.891,515 1.087,516 0.938,517 1.212,518 1.099,519 1.253,520 1.185,521 1.127,522 1.058,523 1.569,524 0.835,525 1.125,526 0.864,527 1.572,528 0.955,529 0.82,530 1.019,531 0.841,532 0.945,533 0.883,534 1.082,535 7,536 0.202,537 3.778,538 1.813,539 1.356,540 1.111,541 0.689,542 0.441,543 0.168,544 0.188,545 12618,546 39159,547 2.004,548 42.3,549 3,550 13,552 2,553 2,555 2,558 1.724,559 1.865,560 3.629,561 0.21,563 1,567 84.273,568 1.621,569 3.605,570 4.533,571 5.056,572 5.186,573 5.186,574 3.083,575 4.015,576 4.88,577 3.865,578 1681.09,579 8.485,580 24751.2,582 1,584 1,585 296.423,586 1.549,587 4.824,588 0.219,589 0.009,590 0.086,591 0.041,592 0.033,593 0.027,594 0.018,595 0.015,596 0.007,597 0.009,598 0.464,599 0.33,600 1,601 0.922,602 157.543,603 0.044,604 -0.035,605 0.179,606 -0.019,607 -0.138,608 0.047,609 0.296,610 0.081,611 0.024,612 0.03,613 0.29,614 -0.018,615 -0.082,616 -0.103,617 -0.142,618 -0.113,619 -0.049,620 -0.109,621 -0.098,622 -0.141,623 -0.122,624 -0.125,625 -0.085,626 -0.101,627 -0.091,628 -0.035,629 0.069,630 0.03,631 -0.065,632 0.032,633 -0.053,634 -0.096,635 -0.125,636 -0.134,637 0.003,638 -0.087,639 -0.274,640 0.111,641 -0.15,642 0.069,643 -0.218,644 0.005,645 -0.053,646 -0.103,647 -0.027,648 -0.042,649 -0.09,650 -0.075,651 4.466,652 5.357,653 0.6,654 32.569,655 1.008,656 1.114,657 2.393,658 5.724,659 0.694,660 3.497,661 3.807,662 3.989,663 4.174,664 4.382,665 4.369,666 4.369,667 4.369,668 4.369,669 4.369,670 7.862,671 0.661,672 422.54,673 3.497,674 5.03,675 5.849,676 6.713,677 7.553,678 8.42,679 9.268,680 10.136,681 10.987,682 11.855,683 3.8,685 1,693 1,699 12,700 1,704 5,706 18,724 52,726 22,727 2,728 32,730 54,731 23,733 17,734 4,735 8,736 3,739 3,740 3,745 1,751 1,753 20,754 3,756 4,760 1,761 3,763 1,765 2,769 1,772 22,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 1,840 30,844 1,845 1,846 2,847 1,862 7.7,864 1,865 3,869 16.083,870 9.4,871 6.597,872 2.906,874 2.965,875 1.414,876 0.967,877 6.91,878 10.122,879 3.829,880 4.437,881 4.922,882 5.416,883 5.95,884 6.09,885 6.334,886 6.504,887 6.709,888 6.782,889 0.889,890 44,891 11.295,893 4.977,894 8.036,895 20.751,897 16.821,899 2.536,900 76.083,903 1,904 235.422,905 159.995,906 33.191,908 112.141,910 5.807,911 154.187,912 347.563,913 33.191,914 8.825,915 4.64,916 126.451,917 153.379,918 35.573,920 211.88,922 235.422,923 187.378,924 112.141,925 5.807,927 211.88,928 135.683,931 47.965,932 113.151,933 32.069,935 235.422,936 145.332,937 159.995,939 5.807,940 235.422,941 23.029,942 131.159,943 16.405,944 128.927,945 235.422,946 145.332,947 159.995,949 0.58,950 0.318,951 0.163,952 0.096,953 19,954 9,955 0.148,956 8,958 1,959 4.162,960 249.348,962 18,963 137.207,967 1,968 21.601,969 9.597,970 5.949,972 145.332,973 20.86,974 4.05,978 3.624,980 59.088,981 540.749,982 45,986 -3.55,987 35.945,989 1.154,991 -0.481,994 52.425,995 57.906,996 0.284,997 0.632,998 0.795,999 0.887,1000 0.91,1001 0.91,1002 5.047,1003 1.489,1004 5.855,1005 4.758,1006 4.489,1007 5.124,1008 1.635,1009 6.663,1010 4.44,1011 6.284,1012 1.135,1013 7.422,1014 3.334,1015 4.205,1016 5.103,1018 7.84,1019 4.087,1020 7.62,1021 1,1022 9.108,1023 2.538,1024 6.125,1025 7.4,1026 2.253,1027 10.839,1028 5.998,1029 9,1030 1,1031 10.871,1032 2.275,1033 6.661,1034 8.202,1036 12.885,1037 6.434,1038 10.416,1039 1,1040 12.687,1041 2.275,1042 8.103,1043 10.019,1044 2.922,1045 15.505,1046 7.86,1047 11.861,1048 0.775,1049 14.542,1050 2.136,1051 9.004,1052 11.197,1054 17.851,1055 8.65,1056 13.327,1057 0.008,1058 16.425,1059 1.983,1060 10.275,1061 12.832,1062 3.619,1063 20.377,1064 9.883,1065 3.374,1066 -0.229,1067 18.329,1068 0.019,1069 11.34,1070 14.193,1072 22.824,1073 10.842,1074 3.03,1075 12.404,1076 20.25,1077 -0.505,1078 12.552,1079 15.759,1080 4.33,1081 25.329,1082 11.996,1083 2.523,1084 10.239,1085 22.183,1086 4.697,1087 13.69,1088 17.21,1090 27.812,1091 13.035,1092 2.399,1093 7.109,1094 24.125,1095 3.988,1096 14.886,1097 18.752,1098 5.047,1099 30.315,1100 14.159,1101 2.177,1102 6.321,1103 26.075,1104 3.475,1105 16.058,1106 20.247,1108 32.814,1109 15.236,1110 2.057,1111 6.129,1112 28.031,1113 3.393,1114 17.252,1115 21.782,1116 5.769,1117 35.32,1118 16.35,1119 1.651,1120 5.185,1121 29.992,1122 2.999,1123 18.44,1124 23.3,1126 37.825,1127 17.444,1128 12317,1129 21864,1130 20.86,1131 36.091,1132 47.977,1133 48.927,1134 48.543,1135 47.276,1136 47.236,1137 65.154,1138 2.873,1139 133.409,1140 46.166,1141 5.744,1142 6.683,1143 7.095,1144 5.333,1145 5.374,1146 7.697,1147 2.873,1148 19.555,1149 5.066,1150 16.471,1151 1.499,1152 1.529,1153 1.517,1154 1.477,1155 1.476,1156 2.036,1157 0.09,1158 4.169,1159 1.443,1160 4.088,1161 4.08,1162 4.735,1163 4.071,1164 7.717,1165 3.996,1166 3.989,1167 4.002,1168 3.953,1169 3.944,1170 7.476,1171 3.929,1172 3.818,1173 3.858,1174 3.751,1175 3.734,1176 6.999,1177 3.733,1178 3.687,1179 3.699,1180 3.724,1181 3.607,1182 6.351,1183 3.542,1184 3.518,1185 3.525,1186 3.467,1187 3.37,1188 4.918,1189 3.375,1190 3.313,1191 3.353,1192 3.202,1193 3.143,1194 4.722,1195 3.137,1196 3.043,1197 3.116,1198 2.883,1199 2.861,1200 4.697,1201 2.837,1202 2.949,1203 2.974,1204 2.833,1205 2.752,1206 4.14,1207 2.763,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.045,1217 7.293,1218 0.388,1219 4.292,1220 0.096,1221 3.374,1222 4.697,1223 1.437,1224 12.404,1225 3.066,1226 1.991,1227 1.984,1228 2.081,1229 2.065,1230 1.271,1231 2.091,1232 1.964,1233 1.954,1234 2.025,1235 2.029,1236 1.19,1237 2.051,1238 1.808,1239 1.774,1240 1.933,1241 1.923,1242 1.059,1243 1.931,1244 1.582,1245 1.574,1246 1.713,1247 1.752,1248 0.879,1249 1.781,1250 1.434,1251 1.423,1252 1.532,1253 1.624,1254 0.723,1255 1.607,1256 1.268,1257 1.226,1258 1.499,1259 1.467,1260 0.539,1261 1.496,1262 1.017,1263 0.958,1264 1.181,1265 1.264,1266 0.353,1267 1.308,1268 0.886,1269 0.844,1270 1.181,1271 1.109,1272 0.218,1273 1.107,1274 4.174,1276 5.485,1278 6.984,1280 8.564,1282 10.187,1284 1.902,1289 9.201,1290 0.77,1291 2.607,1300 34.357,1301 84.273,1302 187.446,1303 235.694,1304 262.913,1305 269.668,1306 269.668,1307 74.503,1308 7.157,1309 96.36,1310 104.74,1311 18,1312 12.403,1313 4.524,1314 3.807,1315 55.653,1316 145,1317 138,1318 0.187,1319 217.717,1320 383.31,1321 522.99,1322 12472,1324 21.562,1325 0.719,1326 0.575,1327 21.812,1328 17.264,1329 14.348,1330 0.448,1331 0.339,1332 9.394,1333 13.16,1334 9.008,1335 7.522,1336 15.169,1337 10.84,1338 13.31,1339 0.302,1340 0.195,1341 14.633,1342 8.563,1343 10.05,1344 0.19,1345 0.114,1346 11.158,1347 6.019,1348 7.874,1349 0.123,1350 0.062,1351 8.729,1352 3.992,1353 6.392,1354 0.081,1355 0.036,1356 7.108,1357 2.85,1358 0.303,1359 97.382,1360 0.219,1361 28.928,1362 0.488,1363 152,1364 480.195,1365 200.391,1366 489.08,1367 648.72,1368 448,1369 173,1370 433.319,1371 226.215,1372 479.706,1373 687.18,1374 448,1375 5.569} {0 CHEMBL126761,1 1.577,2 14,3 4.188,4 17.537,5 125.528,6 7.769,7 0.529,8 4.131,9 4.229,10 3.856,11 3.75,12 5.241,13 3.694,14 4.644,15 4.787,16 4.097,17 4.112,18 5.971,19 4.028,20 4.919,21 5.119,22 4.113,23 4.246,24 5.995,25 4.125,26 4.957,27 5.159,28 4.05,29 4.214,30 6.075,31 4.096,32 4.953,33 5.164,34 4.015,35 4.206,36 6.052,37 4.089,38 4.946,39 5.177,40 3.969,41 4.213,42 5.936,43 4.07,44 4.923,45 5.159,46 3.917,47 4.158,48 5.943,49 4.024,50 4.834,51 5.06,52 3.876,53 4.047,54 5.944,55 3.936,56 0.097,57 0.793,58 14.139,59 5.901,60 21.632,61 6.971,62 0.39,63 1.26,64 22.272,65 9.653,66 77.615,67 11.982,68 0.3,69 1.591,70 34.879,71 13.478,72 69.266,73 16.449,74 0.397,75 1.614,76 36.182,77 13.43,78 89.627,79 16.312,80 0.401,81 1.605,82 33.389,83 12.738,84 84.982,85 16.125,86 0.288,87 1.628,88 34.156,89 13.311,90 59.774,91 17.405,92 0.275,93 1.547,94 33.411,95 13.057,96 61.761,97 17.143,98 0.23,99 1.391,100 28.612,101 11.451,102 56.674,103 15.103,104 22,105 45,106 0.255,107 0.569,108 0.737,109 0.853,110 0.868,111 0.868,112 3.502,113 1.05,114 -4.04,115 -3.99,116 -3.78,118 43.1,120 4,124 1,133 1,134 1,140 11,141 3,142 1,143 2,154 1,163 1,167 1,168 19,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 20,195 1,198 9,203 5,206 16,207 1,210 8,215 4,218 17,219 1,222 8,227 2,229 16,230 2,234 8,239 3,242 14,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 5,262 1,264 5,267 9,268 1,270 1956,271 21.474,272 21.474,273 21.474,274 21.474,275 21.474,276 18.619,277 11.83,278 13.16,279 21.714,280 16.81,281 16.81,282 16.81,283 16.81,284 16.81,285 12.562,286 6.148,287 6.261,288 17.203,289 4.281,290 2.333,291 1.294,292 0.578,293 0.483,294 0.483,295 4.184,299 1,300 1,301 936,302 4.583,306 389.402,313 2.188,314 37.327,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 69,326 448,327 4.842,328 4.683,329 7.292,330 4.289,331 3.372,332 4.694,333 2.341,334 12.402,335 3.062,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.908,346 3.039,347 5.415,348 3.516,349 2.519,350 3.47,352 7.106,353 2.511,354 3.561,355 2.7,356 5.135,357 3.237,358 2.232,359 3.054,361 6.127,362 2.219,363 3.553,364 2.186,365 4.923,366 3.117,367 2.129,368 2.921,370 5.38,371 2.102,372 3.527,373 2.063,374 4.659,375 3.033,376 2.036,377 2.709,379 5.184,380 2.029,381 3.051,382 1.908,383 4.149,384 2.625,385 1.634,386 2.227,388 3.815,389 1.616,390 2.722,391 1.574,392 3.714,393 2.383,394 1.402,395 1.788,397 2.948,398 1.371,399 2.708,400 1.467,401 3.564,402 2.265,403 1.294,404 1.749,406 2.88,407 1.251,408 2.5,409 1.155,410 3.414,411 2.053,412 1.069,413 1.5,415 2.422,416 1.05,417 2.5,418 1.104,419 3.406,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.268,429 2,430 1,431 1.5,433 2.136,434 1,435 2.309,436 1,437 3.247,438 1.957,439 1,440 1.265,442 2.136,443 0.954,444 2.193,445 1,446 3.247,447 1.829,448 0.838,449 1.072,451 1.982,452 0.827,453 1.38,454 0.658,455 2.885,456 1.199,457 0.204,458 0.225,460 0.46,461 0.202,462 15.467,463 0.483,464 0.718,465 0.022,466 42.75,467 1.336,468 24,469 0.75,470 18.75,471 0.586,472 25.279,473 0.79,474 34.333,475 0.592,476 34.196,477 1.069,478 8.423,479 0.263,480 7.032,481 0.22,482 0.086,483 0.054,484 0.194,487 0.586,488 1.168,489 0.845,490 1.149,491 0.687,492 0.945,493 0.477,494 1.081,495 0.931,496 1.055,497 0.47,498 1.065,499 0.892,500 1.043,501 1.115,502 1.087,503 0.868,504 1.019,505 1.141,506 1.074,507 1.169,508 1.086,509 1.158,510 1.065,511 1.082,512 1.005,513 0.983,514 0.934,515 1.066,516 1.032,517 0.675,518 1.007,519 0.959,520 1.006,521 0.608,522 1.052,523 0.7,524 0.983,525 0.88,526 0.983,527 0.695,528 1.01,529 0.813,530 1.054,531 0.754,532 0.959,533 0.793,534 1.019,535 6,536 0.235,537 3.556,538 1.875,539 0.942,540 0.722,541 0.606,542 0.479,543 0.292,544 0.208,545 15160,546 46265,547 2.022,548 44.8,549 4,550 14,552 2,553 2,554 2,555 2,558 1.743,559 1.91,560 3.732,561 0.177,563 1,567 91.455,568 1.577,569 3.525,570 4.564,571 5.28,572 5.375,573 5.375,574 3.233,575 4.265,576 4.968,577 3.962,578 1965.11,579 8.683,580 30718.7,582 1,585 339.763,586 1.383,587 4.933,588 0.176,589 0.009,590 0.079,591 0.042,592 0.022,593 0.018,594 0.016,595 0.013,596 0.008,597 0.007,598 0.39,599 0.33,600 0.88,601 1.313,602 172.054,603 0.051,604 -0.033,605 0.176,606 -0.015,607 -0.114,608 0.044,609 0.291,610 -0.002,611 -0.02,612 -0.045,613 0.263,614 -0.098,615 -0.072,616 -0.034,617 -0.058,618 -0.025,619 -0.044,620 -0.012,621 -0.144,622 -0.082,623 -0.144,624 -0.07,625 -0.123,626 -0.08,627 -0.147,628 -0.022,629 -0.096,630 -0.004,631 -0.122,632 -0.061,633 -0.03,634 -0.019,635 -0.042,636 -0.038,637 -0.006,638 -0.043,640 -0.031,641 0.009,642 -0.034,643 0.009,644 0.002,645 0.004,646 -0.119,647 0.054,648 -0.067,649 0.022,650 -0.029,651 4.432,652 5.329,653 0.563,654 40.25,655 1.003,656 1.116,657 2.811,658 7.904,659 0.683,660 3.555,661 3.829,662 4.007,663 4.174,664 4.344,665 4.317,666 4.443,667 4.466,668 4.489,669 4.533,670 8.32,671 0.645,672 450.6,673 3.555,674 5.069,675 5.878,676 6.725,677 7.554,678 8.408,679 9.247,680 10.104,681 10.949,682 11.808,683 3.4,685 1,693 1,699 13,700 1,704 4,706 18,724 58,726 22,727 2,728 34,730 60,731 25,733 17,734 3,735 9,736 2,739 3,740 3,751 4,753 20,754 5,756 4,760 1,761 3,763 1,765 2,769 1,772 26,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,840 32,844 1,845 1,846 5,847 1,862 6.9,864 1,865 3,869 16.75,870 9.983,871 7.181,872 3.419,874 2.896,875 1.401,876 0.961,877 8.463,878 10.112,879 3.871,880 4.437,881 4.896,882 5.376,883 5.863,884 5.936,885 6.3,886 6.452,887 6.684,888 6.95,889 1,890 45,891 12.037,893 5.227,894 7.966,895 22.426,897 18.173,899 2.466,900 78.917,903 1,904 282.506,905 165.064,906 33.191,908 112.141,910 5.807,911 159.257,912 394.648,913 33.191,915 12.244,916 135.927,917 153.379,918 32.388,920 258.964,922 282.506,923 192.447,924 112.141,925 5.807,927 258.964,928 135.683,931 46.744,932 119.442,933 32.069,935 282.506,936 145.332,937 165.064,939 5.807,940 282.506,941 27.447,942 131.81,943 16.405,944 128.927,945 282.506,946 145.332,947 165.064,949 0.568,950 0.312,951 0.159,952 0.085,953 18,954 8,955 0.183,956 11,958 1,959 4.409,960 266.835,962 18,963 150,967 1,968 23.557,969 11.497,970 7.232,972 145.332,973 23.608,974 4.193,978 3.235,980 59.088,981 592.902,982 47,986 -3.515,987 35.434,989 2.045,991 0.202,994 58.192,995 64.737,996 0.269,997 0.602,998 0.779,999 0.901,1000 0.918,1001 0.918,1002 5.072,1003 1.402,1004 5.855,1005 3.815,1006 4.511,1007 5.124,1008 2.258,1009 6.637,1010 4.463,1011 6.282,1012 1.294,1013 7.402,1014 2.948,1015 4.111,1016 5.017,1017 2.243,1018 7.796,1019 3.981,1020 7.601,1021 1.069,1022 9.075,1023 2.88,1024 6.111,1025 7.361,1026 3.628,1027 10.804,1028 5.983,1029 8.968,1030 1,1031 10.833,1032 2.422,1033 6.594,1034 8.134,1035 4.112,1036 12.865,1037 6.35,1038 10.377,1039 1,1040 12.65,1041 2.275,1042 8.074,1043 9.971,1044 5.201,1045 15.485,1046 7.823,1047 11.817,1048 1,1049 14.508,1050 2.136,1051 8.956,1052 11.144,1053 5.889,1054 17.839,1055 8.582,1056 13.282,1057 0.838,1058 16.396,1059 2.136,1060 10.243,1061 12.79,1062 6.849,1063 20.364,1064 9.837,1065 3.372,1066 0.204,1067 18.305,1068 1.982,1069 11.304,1070 14.154,1071 7.625,1072 22.814,1073 10.782,1074 3.016,1075 12.402,1076 20.23,1077 0.46,1078 12.523,1079 15.726,1080 8.526,1081 25.319,1082 11.947,1083 2.519,1084 10.18,1085 22.166,1086 4.694,1087 13.661,1088 17.18,1089 9.342,1090 27.804,1091 12.98,1092 2.232,1093 7.106,1094 24.112,1095 3.968,1096 14.86,1097 18.725,1098 10.216,1099 30.307,1100 14.109,1101 2.129,1102 6.127,1103 26.064,1104 3.47,1105 16.032,1106 20.223,1107 11.051,1108 32.806,1109 15.183,1110 2.036,1111 5.38,1112 28.022,1113 3.054,1114 17.228,1115 21.761,1116 11.912,1117 35.313,1118 16.299,1119 1.634,1120 5.184,1121 29.984,1122 2.921,1123 18.416,1124 23.28,1125 12.755,1126 37.819,1127 17.391,1128 14840,1129 26080,1130 22.534,1131 39.614,1132 49.803,1133 50.887,1134 50.219,1135 49.564,1136 49.487,1137 67.287,1138 4.682,1139 134.86,1140 48.409,1141 5.741,1142 6.683,1143 7.094,1144 5.326,1145 5.372,1146 7.694,1147 3.925,1148 19.546,1149 5.062,1150 15.629,1151 1.465,1152 1.497,1153 1.477,1154 1.458,1155 1.456,1156 1.979,1157 0.138,1158 3.966,1159 1.424,1160 4.083,1161 4.078,1162 4.735,1163 4.065,1164 7.717,1165 3.989,1166 3.992,1167 4.003,1168 3.953,1169 3.949,1170 7.474,1171 3.927,1172 3.818,1173 3.857,1174 3.748,1175 3.736,1176 6.999,1177 3.734,1178 3.697,1179 3.742,1180 3.674,1181 3.563,1182 6.351,1183 3.549,1184 3.643,1185 3.66,1186 3.579,1187 3.542,1188 4.923,1189 3.491,1190 3.422,1191 3.442,1192 3.345,1193 3.29,1194 4.728,1195 3.281,1196 3.27,1197 3.306,1198 3.148,1199 3.098,1200 4.707,1201 3.087,1202 2.998,1203 3.039,1204 2.87,1205 2.805,1206 4.247,1207 2.813,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.842,1214 0.138,1215 4.683,1216 0.069,1217 7.292,1218 0.365,1219 4.289,1220 0.09,1221 3.372,1222 4.694,1223 2.341,1224 12.402,1225 3.062,1226 1.993,1227 1.978,1228 2.093,1229 2.068,1230 1.3,1231 2.089,1232 1.952,1233 1.951,1234 1.997,1235 2.02,1236 1.233,1237 2.052,1238 1.812,1239 1.777,1240 1.956,1241 1.923,1242 1.146,1243 1.935,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.027,1249 1.868,1250 1.544,1251 1.529,1252 1.701,1253 1.722,1254 0.867,1255 1.748,1256 1.354,1257 1.338,1258 1.51,1259 1.54,1260 0.668,1261 1.542,1262 1.214,1263 1.182,1264 1.217,1265 1.406,1266 0.541,1267 1.441,1268 0.948,1269 0.906,1270 1.181,1271 1.182,1272 0.329,1273 1.182,1274 4.234,1276 5.517,1278 6.993,1280 8.554,1282 10.159,1289 8.856,1290 2.223,1291 2.635,1300 37.411,1301 91.455,1302 204.432,1303 264.69,1304 306.253,1305 311.763,1306 311.763,1307 81.412,1308 7.217,1309 96.36,1310 104.74,1311 18,1312 12.362,1313 4.524,1314 3.807,1315 61.359,1316 160,1317 148,1318 0.183,1319 236.902,1320 417.91,1321 569.801,1322 13418,1324 22.813,1325 0.713,1326 0.577,1327 23.063,1328 18.462,1329 15.454,1330 0.455,1331 0.35,1332 10.456,1333 14.266,1334 10.112,1335 8.415,1336 16.275,1337 11.903,1338 13.737,1339 0.305,1340 0.202,1341 15.06,1342 9.07,1343 10.465,1344 0.194,1345 0.119,1346 11.572,1347 6.417,1348 8.191,1349 0.128,1350 0.068,1351 9.065,1352 4.341,1353 6.394,1354 0.084,1355 0.039,1356 7.09,1357 2.938,1358 0.296,1359 104.019,1360 0.211,1361 30.635,1362 0.478,1363 158,1364 484.195,1365 206.391,1366 492.211,1367 652.39,1368 452,1369 178,1370 433.319,1371 231.215,1372 477.619,1373 683.3,1374 448,1375 8.301} {0 CHEMBL127008,1 1.648,2 15.744,3 6.576,4 43.242,5 166.999,6 8.367,7 0.522,8 4.385,9 4.471,10 4.135,11 4.009,12 5.549,13 3.966,14 4.896,15 5.027,16 4.455,17 4.394,18 6.253,19 4.324,20 5.183,21 5.354,22 4.525,23 4.565,24 6.322,25 4.459,26 5.307,27 5.497,28 4.479,29 4.561,30 6.481,31 4.454,32 5.3,33 5.498,34 4.544,35 4.596,36 6.421,37 4.486,38 5.341,39 5.542,40 4.575,41 4.657,42 6.479,43 4.541,44 5.387,45 5.605,46 4.491,47 4.66,48 6.461,49 4.537,50 5.319,51 5.526,52 4.516,53 4.606,54 6.418,55 4.495,56 0.145,57 0.97,58 15.262,59 7.304,60 30.134,61 8.238,62 0.569,63 1.578,64 25.224,65 11.892,66 98.721,67 14.296,68 0.458,69 2.054,70 45.525,71 17.82,72 86.581,73 20.596,74 0.812,75 2.25,76 51.593,77 18.93,78 150.715,79 21.64,80 0.726,81 2.276,82 50.722,83 18.852,84 127.528,85 22.207,86 0.705,87 2.379,88 51.456,89 20.12,90 113.4,91 24.803,92 0.75,93 2.433,94 51.881,95 20.807,96 126.207,97 26.373,98 0.558,99 2.237,100 50.915,101 19.549,102 99.994,103 24.743,104 58,105 63,106 0.251,107 0.561,108 0.732,109 0.845,110 0.869,111 0.869,112 3.787,113 1.007,114 -5.35,115 -5.23,116 -4.89,118 44.6,120 4,124 2,133 1,134 1,140 14,141 5,142 2,143 2,154 2,163 2,167 2,168 23,169 2,171 3,172 6,175 2,177 2,180 28,181 3,186 14,191 3,194 25,195 3,198 19,203 3,206 17,207 2,210 14,215 2,218 22,219 1,222 16,223 1,227 1,229 28,230 2,233 1,234 11,237 1,239 2,242 30,243 3,247 8,248 3,252 3,255 29,256 4,258 3,259 8,262 3,264 4,267 21,268 4,270 4359,271 28.531,272 28.531,273 28.531,274 28.531,275 28.531,276 24.807,277 22.229,278 17.008,279 28.94,280 22.68,281 22.68,282 22.68,283 22.68,284 22.68,285 17.099,286 19.588,287 8.076,288 23.403,289 4.562,290 2.531,291 1.411,292 0.67,293 0.514,294 0.514,295 4.477,297 1,300 1,301 1422,302 5.339,306 722.852,313 2.158,314 61.585,317 0.75,318 0.67,319 0.67,320 0.5,321 0.5,322 0.67,323 0.5,324 0.61,325 93.333,326 677,327 4.932,328 4.726,329 7.668,330 4.436,331 3.513,332 4.759,333 2.341,334 13.623,335 3.217,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 1.437,343 10.18,344 3.011,345 4.165,346 3.576,347 5.932,348 3.784,349 2.784,350 3.756,351 0.657,352 8.242,353 2.774,354 3.912,355 3.04,356 5.668,357 3.526,358 2.537,359 3.471,361 7.35,362 2.515,363 3.858,364 2.926,365 5.41,366 3.419,367 2.46,368 3.41,370 7.073,371 2.367,372 3.699,373 2.853,374 5.239,375 3.29,376 2.337,377 3.041,379 6.427,380 2.219,381 3.556,382 2.687,383 5.133,384 3.237,385 2.232,386 2.922,388 6.13,389 2.182,390 3.531,391 2.311,392 4.979,393 3.113,394 2.128,395 2.709,397 5.531,398 2.093,399 3.17,400 2.161,401 4.659,402 2.789,403 1.865,404 2.369,406 5.184,407 1.673,408 3.046,409 1.909,410 4.217,411 2.611,412 1.622,413 2.224,415 3.85,416 1.587,417 2.831,418 1.879,419 4.138,420 2.381,421 1.402,422 1.85,424 3.68,425 1.367,426 2.722,427 1.519,428 3.774,429 2.328,430 1.355,431 1.75,433 2.947,434 1.29,435 2.64,436 1.458,437 3.564,438 2.203,439 1.213,440 1.606,442 2.909,443 1.18,444 2.5,445 1.132,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.5,454 1,455 3.414,456 2,457 1,458 1.5,460 2.275,461 1,462 20.848,463 0.485,464 1.129,465 0.026,466 57.25,467 1.331,468 31.5,469 0.733,470 25.75,471 0.599,472 39.617,473 0.921,474 45.752,475 0.618,476 53.617,477 1.247,478 11.385,479 0.265,480 9.245,481 0.215,482 0.13,483 0.04,484 0.259,487 0.621,488 1.161,489 0.723,490 1.063,491 0.693,492 0.896,493 0.477,494 1.037,495 0.768,496 0.935,497 0.444,498 0.976,499 0.827,500 1.173,501 1.17,502 1.223,503 0.772,504 1.092,505 1.191,506 1.065,507 1.117,508 1.058,509 1.217,510 1.054,511 0.967,512 0.995,513 0.848,514 0.927,515 0.995,516 0.975,517 0.608,518 1.066,519 0.9,520 1.097,521 0.634,522 1.072,523 0.706,524 0.933,525 0.791,526 0.911,527 0.78,528 0.988,529 0.688,530 1.044,531 0.891,532 1.047,533 0.696,534 1.05,535 9.5,536 0.483,537 5.556,538 2.813,539 2.098,540 1.493,541 1.013,542 0.833,543 0.603,544 0.513,545 31974,546 106891,547 2.014,548 41.9,549 4,550 19,552 2,553 2,554 2,555 2,558 1.821,559 1.876,560 3.903,561 0.114,567 121.945,568 1.648,569 3.678,570 4.798,571 5.539,572 5.696,573 5.696,574 3.291,575 4.822,576 5.395,577 4.126,578 3725.61,579 9.57,580 70854.9,585 459.5,586 1.525,587 5.346,588 0.207,589 0.009,590 0.088,591 0.043,592 0.034,593 0.023,594 0.015,595 0.013,596 0.009,597 0.009,598 0.449,599 0.17,600 0.75,601 1.263,602 250.256,603 0.01,604 -0.056,605 0.106,606 -0.01,607 -0.104,608 0.037,609 0.245,610 0.05,611 0.037,612 0.033,613 0.241,614 -0.042,615 -0.063,616 -0.131,617 -0.11,618 -0.125,619 -0.015,620 -0.087,621 -0.179,622 -0.05,623 -0.136,624 -0.037,625 -0.147,626 -0.074,627 -0.109,628 0.028,629 0.027,630 0.068,631 -0.097,632 0.013,633 0.073,634 -0.055,635 0.008,636 -0.09,637 0.057,638 -0.058,639 0.011,640 0.04,641 0.03,642 0.041,643 -0.032,644 0.03,645 0.023,646 -0.086,647 0.032,648 -0.087,649 -0.012,650 -0.027,651 4.805,652 6.651,653 0.558,654 60.892,655 1.011,656 1.113,657 4.12,658 16.978,659 0.698,660 3.85,661 4.159,662 4.369,663 4.543,664 4.771,665 4.828,666 4.92,667 5.017,668 5.118,669 5.165,670 9.433,671 0.666,672 619.18,673 3.85,674 5.389,675 6.217,676 7.077,677 7.927,678 8.794,679 9.653,680 10.524,681 11.389,682 12.264,683 2.7,686 1,693 1,699 16,700 1,704 7,706 24,714 1,723 1,724 74,726 29,727 3,728 46,730 77,731 33,733 23,734 6,735 12,736 3,739 4,740 4,741 1,751 4,753 27,754 6,756 5,760 1,761 4,763 1,765 3,772 31,773 8,774 2,775 10,776 2,779 2,784 1,785 6,795 1,802 4,818 1,822 1,823 1,830 2,832 4,834 1,837 1,840 43,844 1,845 2,846 6,851 1,861 1,862 8.1,864 2,865 4,869 22.917,870 12.943,871 9.5,872 4.301,874 3.084,875 1.389,876 0.956,877 11.129,878 11.022,879 4.159,880 4.745,881 5.234,882 5.706,883 6.228,884 6.391,885 6.662,886 6.87,887 7.19,888 7.426,889 1,890 66,891 16.245,893 7.22,894 8.051,895 29.816,897 24.399,899 2.551,900 109.694,904 341.362,905 206.38,906 18.304,907 39.149,908 179.969,910 5.807,911 200.573,912 560.48,913 18.304,915 14.35,916 147.951,917 222.117,918 43.778,920 317.82,921 39.149,922 341.362,923 218.877,924 179.969,925 44.956,927 317.82,928 203.512,931 33.963,932 158.652,933 71.218,935 341.362,936 198.274,937 245.529,939 5.807,940 341.362,941 40.334,942 161.757,944 235.904,945 341.362,946 198.274,947 245.529,949 0.58,950 0.323,951 0.159,952 0.089,953 26,954 13,955 0.182,956 14,958 1,959 5.129,960 421.204,962 24,963 219.329,967 1,968 31.963,969 14.972,970 9.013,972 198.274,973 27.229,974 4.221,978 4.109,980 85.367,981 785.164,982 63,986 -3.889,987 49.487,989 2.019,991 -0.936,994 74.822,995 82.345,996 0.265,997 0.592,998 0.773,999 0.892,1000 0.917,1001 0.917,1002 5.384,1003 2.128,1004 6.213,1005 6.13,1006 4.844,1007 5.434,1008 2.678,1009 7.02,1010 4.783,1011 6.605,1012 1.865,1013 7.781,1014 5.531,1015 4.511,1016 5.345,1017 2.243,1018 8.165,1019 4.364,1020 7.929,1021 1.622,1022 9.469,1023 5.184,1024 6.466,1025 7.659,1026 3.84,1027 11.22,1028 6.331,1029 9.294,1030 1.402,1031 11.236,1032 3.85,1033 6.976,1034 8.411,1035 4.112,1036 13.304,1037 6.738,1038 10.699,1039 1.355,1040 13.062,1041 3.68,1042 8.436,1043 10.236,1044 5.295,1045 15.995,1046 8.192,1047 12.132,1048 1.213,1049 14.931,1050 2.947,1051 9.334,1052 11.383,1053 5.889,1054 18.423,1055 8.979,1056 13.591,1057 1,1058 16.834,1059 2.909,1060 10.62,1061 13.023,1062 6.886,1063 21.039,1064 10.23,1065 3.513,1066 1,1067 18.765,1068 2.275,1069 11.7,1070 14.369,1071 7.625,1072 23.583,1073 11.201,1074 3.016,1075 13.623,1076 20.718,1077 2.275,1078 12.934,1079 15.939,1080 8.54,1081 26.187,1082 12.374,1083 2.784,1084 10.18,1085 22.687,1086 4.759,1087 14.099,1088 17.386,1089 9.342,1090 28.771,1091 13.433,1092 2.537,1093 8.242,1094 24.67,1095 3.968,1096 15.324,1097 18.934,1098 10.221,1099 31.376,1100 14.578,1101 2.46,1102 7.35,1103 26.664,1104 3.756,1105 16.53,1106 20.433,1107 11.051,1108 33.976,1109 15.68,1110 2.337,1111 7.073,1112 28.667,1113 3.471,1114 17.759,1115 21.977,1116 11.914,1117 36.583,1118 16.819,1119 2.232,1120 6.427,1121 30.677,1122 3.41,1123 18.985,1124 23.503,1125 12.755,1126 39.189,1127 17.943,1128 31050,1129 57019,1130 30.107,1131 51.665,1132 68.766,1133 70.474,1134 70.005,1135 68.399,1136 68.074,1137 91.488,1138 8.87,1139 191.697,1140 65.958,1141 5.837,1142 6.726,1143 7.469,1144 5.492,1145 5.513,1146 7.759,1147 3.925,1148 21.622,1149 5.217,1150 24.988,1151 1.495,1152 1.532,1153 1.522,1154 1.487,1155 1.48,1156 1.989,1157 0.193,1158 4.167,1159 1.434,1160 4.112,1161 4.107,1162 4.743,1163 4.089,1164 7.715,1165 4.017,1166 3.993,1167 4.008,1168 3.959,1169 3.95,1170 7.477,1171 3.933,1172 3.916,1173 3.932,1174 3.926,1175 3.861,1176 7.472,1177 3.854,1178 3.819,1179 3.857,1180 3.87,1181 3.737,1182 6.999,1183 3.735,1184 3.699,1185 3.743,1186 3.747,1187 3.59,1188 6.352,1189 3.554,1190 3.662,1191 3.674,1192 3.58,1193 3.548,1194 6.35,1195 3.525,1196 3.423,1197 3.443,1198 3.37,1199 3.294,1200 4.938,1201 3.283,1202 3.337,1203 3.325,1204 3.301,1205 3.156,1206 4.913,1207 3.161,1208 0.107,1209 0.103,1210 0.167,1211 0.096,1212 0.076,1213 4.932,1214 0.103,1215 4.726,1216 0.051,1217 7.668,1218 0.296,1219 4.436,1220 0.07,1221 3.513,1222 4.759,1223 2.341,1224 13.623,1225 3.217,1226 2,1227 1.991,1228 2.095,1229 2.079,1230 1.319,1231 2.103,1232 1.966,1233 1.956,1234 2.034,1235 2.039,1236 1.269,1237 2.057,1238 1.904,1239 1.888,1240 1.959,1241 1.972,1242 1.173,1243 1.99,1244 1.812,1245 1.777,1246 1.946,1247 1.92,1248 1.119,1249 1.932,1250 1.68,1251 1.631,1252 1.889,1253 1.856,1254 1.027,1255 1.868,1256 1.566,1257 1.553,1258 1.707,1259 1.73,1260 0.884,1261 1.746,1262 1.359,1263 1.339,1264 1.521,1265 1.546,1266 0.706,1267 1.544,1268 1.212,1269 1.209,1270 1.426,1271 1.445,1272 0.636,1273 1.438,1274 4.533,1276 5.844,1278 7.343,1280 8.925,1282 10.553,1285 5.987,1289 18.189,1290 1.899,1295 1.378,1300 49.248,1301 121.945,1302 272.18,1303 355.077,1304 409.89,1305 421.5,1306 421.5,1307 132.593,1308 7.938,1309 124.87,1310 133.25,1311 24,1312 12.806,1313 4.907,1314 4.17,1315 81.888,1316 243,1317 252,1318 0.159,1319 310.863,1320 555.28,1321 750.266,1322 31357,1323 1.4,1324 30.821,1325 0.717,1326 0.578,1327 31.571,1328 24.838,1329 20.629,1330 0.448,1331 0.336,1332 13.655,1333 18.97,1334 13.209,1335 10.932,1336 21.706,1337 15.447,1338 18.834,1339 0.299,1340 0.195,1341 20.561,1342 12.261,1343 14.817,1344 0.19,1345 0.115,1346 16.433,1347 8.953,1348 11.317,1349 0.122,1350 0.065,1351 12.569,1352 6.08,1353 9.158,1354 0.078,1355 0.039,1356 10.423,1357 4.526,1358 0.254,1359 139.199,1360 0.182,1361 38.386,1362 0.423,1363 218,1364 697.596,1365 290.373,1366 726.134,1367 950.42,1368 666,1369 250,1370 618.342,1371 321.912,1372 676.811,1373 976.2,1374 634,1375 7.337} {0 CHEMBL127017,1 1.659,2 15.324,3 5.308,4 28.178,5 134.934,6 8.181,7 0.5,8 4.182,9 4.276,10 3.938,11 3.809,12 5.286,13 3.751,14 4.703,15 4.846,16 4.209,17 4.181,18 6.02,19 4.093,20 4.987,21 5.185,22 4.23,23 4.321,24 6.067,25 4.194,26 5.02,27 5.223,28 4.129,29 4.28,30 6.127,31 4.154,32 5.012,33 5.228,34 4.166,35 4.271,36 6.064,37 4.143,38 5.01,39 5.233,40 4.18,41 4.272,42 6.121,43 4.138,44 4.974,45 5.207,46 3.975,47 4.223,48 5.969,49 4.078,50 4.889,51 5.115,52 3.928,53 4.155,54 5.878,55 4.017,56 0.107,57 0.822,58 13.871,59 6.142,60 22.785,61 7.215,62 0.413,63 1.312,64 23.051,65 10.239,66 80.147,67 12.648,68 0.387,69 1.657,70 39.624,71 14.658,72 77.195,73 17.69,74 0.487,75 1.686,76 40.465,77 14.59,78 97.421,79 17.536,80 0.477,81 1.683,82 38.345,83 13.885,84 91.938,85 17.313,86 0.533,87 1.686,88 38.94,89 14.222,90 86.43,91 18.241,92 0.373,93 1.608,94 36.513,95 13.962,96 72.152,97 18.102,98 0.296,99 1.467,100 32.037,101 12.596,102 59.139,103 16.629,104 32,105 48,106 0.265,107 0.59,108 0.751,109 0.853,110 0.871,111 0.871,112 3.56,113 1.073,114 -4.71,115 -4.63,116 -4.35,118 42.6,120 5,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,177 2,180 23,181 1,186 7,191 4,194 23,195 1,198 9,203 5,206 17,207 1,210 6,215 3,218 18,219 1,222 10,227 3,229 18,230 1,234 7,239 2,242 16,243 2,247 6,252 4,255 15,256 3,259 5,260 1,264 5,267 9,268 3,270 2372,271 22.628,272 22.628,273 22.628,274 22.628,275 22.628,276 19.749,277 13.432,278 13.746,279 23.005,280 17.776,281 17.776,282 17.776,283 17.776,284 17.776,285 13.466,286 5.318,287 6.549,288 18.445,289 4.272,290 2.248,291 1.237,292 0.603,293 0.492,294 0.492,295 4.242,297 1,300 1,301 1084,302 4.743,306 419.46,313 2.363,314 41.142,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 73.333,326 521,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.38,337 3.596,338 6.5,339 4.014,340 3.015,341 3.968,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.511,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.222,363 3.552,364 2.7,365 5.128,366 3.24,367 2.235,368 2.921,370 6.124,371 2.159,372 3.534,373 2.184,374 4.73,375 3.112,376 2.125,377 2.71,379 5.184,380 2.095,381 3.087,382 1.954,383 4.659,384 2.7,385 1.708,386 2.293,388 4.759,389 1.692,390 3.052,391 1.88,392 4.157,393 2.581,394 1.64,395 2.228,397 3.864,398 1.477,399 2.756,400 1.538,401 3.637,402 2.451,403 1.475,404 1.795,406 3.125,407 1.428,408 2.5,409 1.309,410 3.527,411 2.116,412 1.145,413 1.5,415 2.557,416 1.105,417 2.5,418 1.304,419 3.414,420 2.002,421 1.013,422 1.5,424 2.304,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.436,436 1,437 3.39,438 2,439 1,440 1.373,442 2.275,443 0.997,444 2.264,445 1,446 3.247,447 1.956,448 1,449 1.208,451 2.136,452 0.953,453 1.675,454 0.788,455 2.982,456 1.493,457 0.498,458 0.564,460 1.121,461 0.493,462 16.681,463 0.491,464 0.824,465 0.024,466 44,467 1.294,468 24,469 0.706,470 20,471 0.588,472 29.259,473 0.861,474 36.719,475 0.602,476 35.583,477 1.047,478 8.495,479 0.25,480 7.853,481 0.231,482 0.123,483 0.05,484 0.21,487 0.577,488 1.177,489 0.737,490 1.097,491 0.677,492 0.924,493 0.485,494 1.091,495 0.812,496 1.006,497 0.46,498 1.034,499 0.897,500 1.036,501 1.061,502 1.067,503 0.859,504 1.011,505 1.093,506 1.073,507 1.072,508 1.076,509 1.131,510 1.068,511 0.96,512 1.002,513 0.71,514 0.857,515 1.052,516 0.994,517 0.592,518 1.013,519 0.808,520 1.009,521 0.576,522 1.031,523 0.709,524 0.973,525 0.822,526 0.953,527 0.715,528 1.019,529 0.67,530 1.045,531 0.802,532 0.967,533 0.682,534 1.072,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.944,541 0.647,542 0.385,543 0.308,544 0.299,545 18086,546 59749,547 2.004,548 44.3,549 6,550 13,552 2,553 2,554 2,555 2,558 1.758,559 1.88,560 3.845,561 0.177,567 101.182,568 1.659,569 3.683,570 4.693,571 5.328,572 5.439,573 5.439,574 3.366,575 4.418,576 5.054,577 4.075,578 2285.88,579 8.855,580 37747.6,585 361.775,586 1.455,587 5.013,588 0.194,589 0.008,590 0.083,591 0.04,592 0.025,593 0.022,594 0.015,595 0.01,596 0.008,597 0.008,598 0.415,599 0.17,600 0.75,601 1.454,602 187.053,603 0.041,604 -0.032,605 0.123,606 -0.016,607 -0.107,608 0.04,609 0.256,610 -0.007,611 0.002,612 -0.027,613 0.263,614 -0.08,615 -0.078,616 -0.028,617 -0.061,618 -0.021,619 -0.039,620 -0.007,621 -0.143,622 -0.078,623 -0.139,624 -0.076,625 -0.121,626 -0.085,627 -0.101,628 -0.012,629 0.044,630 0.054,631 -0.143,632 -0.024,633 0.123,634 -0.021,635 0.056,636 -0.055,637 0.102,638 -0.031,639 -0.028,640 -0.011,641 -0.02,642 -0.017,643 -0.017,644 -0.01,645 -0.01,646 -0.096,647 -0.024,648 -0.071,649 -0.035,650 -0.07,651 4.503,652 5.418,653 0.529,654 45.765,655 1.007,656 1.116,657 3.485,658 12.145,659 0.692,660 3.611,661 3.892,662 4.06,663 4.22,664 4.407,665 4.431,666 4.466,667 4.489,668 4.554,669 4.615,670 8.888,671 0.652,672 499.07,673 3.611,674 5.13,675 5.938,676 6.786,677 7.614,678 8.469,679 9.307,680 10.166,681 11.01,682 11.872,683 3.3,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 61,726 22,727 2,728 36,730 63,731 26,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 5,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 34,844 1,845 1,846 6,847 1,861 1,862 6.6,864 1,865 3,869 18.083,870 10.543,871 7.597,872 3.65,874 2.912,875 1.396,876 0.958,877 9.553,878 10.26,879 3.912,880 4.483,881 4.936,882 5.411,883 5.913,884 6.055,885 6.309,886 6.443,887 6.692,888 6.97,889 1,890 48,891 12.785,893 5.553,894 7.976,895 23.803,897 19.317,899 2.476,900 84.194,904 294.278,905 161.623,906 33.191,907 39.149,908 112.141,910 5.807,911 155.815,912 445.567,913 33.191,915 14.778,916 126.451,917 153.379,918 35.888,920 270.735,921 39.149,922 294.278,923 189.006,924 112.141,925 44.956,927 270.735,928 135.683,931 49.278,932 113.466,933 71.218,935 294.278,936 145.332,937 200.772,939 5.807,940 294.278,941 33.482,942 122.334,943 16.405,944 168.075,945 294.278,946 145.332,947 200.772,949 0.572,950 0.31,951 0.154,952 0.084,953 19,954 9,955 0.19,956 12,958 1,959 4.577,960 288.166,962 18,963 162.974,967 1,968 25.798,969 12.59,970 8.175,972 145.332,973 21.47,974 4.218,978 3.691,980 59.088,981 640.381,982 49,986 -3.587,987 35.555,989 2.119,991 0.265,994 61.4,995 68.096,996 0.28,997 0.621,998 0.791,999 0.898,1000 0.917,1001 0.917,1002 5.121,1003 1.64,1004 5.922,1005 4.759,1006 4.575,1007 5.17,1008 2.258,1009 6.701,1010 4.504,1011 6.335,1012 1.475,1013 7.469,1014 3.864,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.656,1021 1.145,1022 9.138,1023 3.125,1024 6.176,1025 7.41,1026 3.628,1027 10.839,1028 6.017,1029 9.024,1030 1.013,1031 10.889,1032 2.557,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.376,1038 10.431,1039 1,1040 12.697,1041 2.304,1042 8.125,1043 10.013,1044 5.201,1045 15.497,1046 7.846,1047 11.868,1048 1,1049 14.546,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.598,1056 13.33,1057 1,1058 16.425,1059 2.275,1060 10.279,1061 12.823,1062 6.849,1063 20.369,1064 9.852,1065 3.374,1066 0.498,1067 18.328,1068 2.136,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.793,1074 3.015,1075 12.404,1076 20.247,1077 1.121,1078 12.548,1079 15.75,1080 8.526,1081 25.322,1082 11.958,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.878,1097 18.744,1098 10.216,1099 30.309,1100 14.117,1101 2.235,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 11.051,1108 32.808,1109 15.189,1110 2.125,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 11.912,1117 35.314,1118 16.304,1119 1.708,1120 5.184,1121 29.988,1122 2.921,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.397,1128 17769,1129 32528,1130 23.633,1131 42.233,1132 52.812,1133 54.314,1134 53.584,1135 52.595,1136 52.308,1137 70.257,1138 4.682,1139 143.501,1140 50.425,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 18.426,1151 1.467,1152 1.509,1153 1.488,1154 1.461,1155 1.453,1156 1.952,1157 0.13,1158 3.986,1159 1.401,1160 4.085,1161 4.078,1162 4.736,1163 4.069,1164 7.717,1165 3.993,1166 3.993,1167 4.003,1168 3.955,1169 3.95,1170 7.474,1171 3.93,1172 3.819,1173 3.858,1174 3.923,1175 3.737,1176 6.999,1177 3.735,1178 3.726,1179 3.776,1180 3.747,1181 3.591,1182 6.351,1183 3.58,1184 3.652,1185 3.662,1186 3.6,1187 3.574,1188 4.937,1189 3.511,1190 3.477,1191 3.505,1192 3.389,1193 3.34,1194 4.913,1195 3.333,1196 3.314,1197 3.345,1198 3.218,1199 3.158,1200 4.719,1201 3.143,1202 3.101,1203 3.141,1204 3.14,1205 2.919,1206 4.271,1207 2.922,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.065,1217 7.293,1218 0.345,1219 4.291,1220 0.085,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.095,1229 2.067,1230 1.331,1231 2.087,1232 1.949,1233 1.952,1234 1.979,1235 2.012,1236 1.256,1237 2.047,1238 1.813,1239 1.778,1240 1.951,1241 1.922,1242 1.153,1243 1.939,1244 1.718,1245 1.666,1246 1.914,1247 1.886,1248 1.054,1249 1.901,1250 1.546,1251 1.533,1252 1.712,1253 1.719,1254 0.866,1255 1.742,1256 1.42,1257 1.395,1258 1.618,1259 1.616,1260 0.829,1261 1.621,1262 1.253,1263 1.231,1264 1.307,1265 1.418,1266 0.538,1267 1.459,1268 1.053,1269 1.012,1270 1.181,1271 1.279,1272 0.423,1273 1.282,1274 4.29,1276 5.58,1278 7.055,1280 8.615,1282 10.22,1285 5.83,1289 8.812,1290 3.199,1291 2.622,1300 39.765,1301 101.182,1302 224.676,1303 286.291,1304 325.02,1305 331.775,1306 331.775,1307 93.145,1308 7.348,1309 96.36,1310 104.74,1311 18,1312 12.425,1313 4.524,1314 3.807,1315 67.561,1316 181,1317 180,1318 0.177,1319 254.827,1320 450.42,1321 613.538,1322 16048,1323 1.6,1324 24.391,1325 0.717,1326 0.595,1327 25.141,1328 20.226,1329 16.348,1330 0.454,1331 0.358,1332 11.086,1333 14.851,1334 10.696,1335 8.88,1336 17.458,1337 12.88,1338 14.712,1339 0.307,1340 0.208,1341 16.444,1342 10.001,1343 11.126,1344 0.195,1345 0.123,1346 12.522,1347 6.989,1348 8.525,1349 0.127,1350 0.069,1351 9.547,1352 4.627,1353 6.677,1354 0.082,1355 0.041,1356 7.635,1357 3.306,1358 0.288,1359 112.557,1360 0.206,1361 32.31,1362 0.459,1363 168,1364 522.398,1365 231.911,1366 558.465,1367 729.5,1368 512,1369 189,1370 464.182,1371 251.974,1372 518.291,1373 742.32,1374 486,1375 7.62} {0 CHEMBL127212,1 1.682,2 14.727,3 4.25,4 18.062,5 132.155,6 8.204,7 0.514,8 4.149,9 4.253,10 3.914,11 3.781,12 5.253,13 3.72,14 4.664,15 4.81,16 4.184,17 4.152,18 5.961,19 4.064,20 4.941,21 5.135,22 4.21,23 4.291,24 6.041,25 4.166,26 4.979,27 5.183,28 4.105,29 4.25,30 6.092,31 4.124,32 4.971,33 5.189,34 4.143,35 4.241,36 6.035,37 4.113,38 4.971,39 5.2,40 4.156,41 4.245,42 6.058,43 4.108,44 4.939,45 5.174,46 3.972,47 4.189,48 5.949,49 4.05,50 4.851,51 5.076,52 3.933,53 4.098,54 5.937,55 3.974,56 0.101,57 0.828,58 13.452,59 5.733,60 21.644,61 6.861,62 0.348,63 1.29,64 22.128,65 9.718,66 67.848,67 12.1,68 0.346,69 1.609,70 37.622,71 13.804,72 72.719,73 16.607,74 0.432,75 1.644,76 38.799,77 13.876,78 89.866,79 16.735,80 0.423,81 1.64,82 36.664,83 13.164,84 83.661,85 16.511,86 0.462,87 1.646,88 37.495,89 13.702,90 75.804,91 17.823,92 0.311,93 1.567,94 35.263,95 13.405,96 63.491,97 17.475,98 0.273,99 1.428,100 30.918,101 11.743,102 58.134,103 15.456,104 31,105 47,106 0.271,107 0.592,108 0.758,109 0.858,110 0.865,111 0.865,112 3.531,113 1.067,114 -4.11,115 -4.05,116 -3.84,118 42.4,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,159 1,160 1,161 1,168 17,171 1,172 3,174 1,175 3,177 2,180 22,183 1,186 7,191 4,194 22,196 1,198 9,203 5,206 16,208 1,210 6,215 3,218 17,220 1,222 10,227 3,229 16,232 1,234 8,239 3,242 13,245 2,247 6,252 5,255 12,257 3,258 1,259 5,261 1,262 1,264 5,267 8,269 3,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 13.632,278 13.246,279 22.269,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 12.966,286 7.085,287 6.299,288 17.9,289 4.2,290 2.204,291 1.178,292 0.555,293 0.508,294 0.508,295 4.212,297 1,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 38.427,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 70.833,326 486,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.886,334 12.404,335 3.063,336 4.38,337 3.514,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.276,363 3.555,364 2.7,365 5.128,366 3.258,367 2.232,368 2.922,370 6.124,371 2.159,372 3.53,373 2.184,374 4.73,375 3.111,376 2.124,377 2.709,379 5.184,380 2.094,381 3.086,382 1.932,383 4.659,384 2.638,385 1.671,386 2.292,388 4.759,389 1.623,390 3.046,391 1.869,392 4.148,393 2.569,394 1.609,395 2.224,397 3.814,398 1.465,399 2.721,400 1.501,401 3.564,402 2.383,403 1.4,404 1.75,406 2.947,407 1.371,408 2.5,409 1.307,410 3.526,411 2.1,412 1.133,413 1.5,415 2.52,416 1.089,417 2.5,418 1.123,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.312,436 1,437 3.282,438 1.957,439 1,440 1.274,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.834,448 0.84,449 1.074,451 1.989,452 0.833,453 1.38,454 0.684,455 2.951,456 1.203,457 0.206,458 0.227,460 0.465,461 0.204,462 16.248,463 0.492,464 0.824,465 0.025,466 43.5,467 1.318,468 24,469 0.727,470 19.5,471 0.591,472 27.541,473 0.835,474 35.352,475 0.599,476 35.031,477 1.062,478 8.471,479 0.257,480 7.377,481 0.224,482 0.13,483 0.051,484 0.215,487 0.542,488 1.154,489 0.736,490 1.076,491 0.669,492 0.903,493 0.528,494 1.064,495 0.807,496 0.993,497 0.501,498 1.013,499 0.992,500 1.031,501 1.092,502 1.086,503 0.957,504 1.025,505 1.159,506 1.06,507 1.08,508 1.087,509 1.192,510 1.071,511 1.005,512 0.988,513 0.706,514 0.858,515 1.085,516 0.994,517 0.507,518 1.002,519 0.785,520 1.02,521 0.496,522 1.028,523 0.722,524 0.986,525 0.795,526 0.963,527 0.723,528 1.003,529 0.814,530 1.097,531 0.795,532 0.968,533 0.802,534 1.048,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 53354,547 2.004,548 44.1,549 4,550 13,552 2,553 3,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.832,567 99.258,568 1.682,569 3.678,570 4.705,571 5.327,572 5.374,573 5.374,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 347.076,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.33,600 0.75,601 1.33,602 179.449,603 0.05,604 0.012,605 0.126,606 -0.007,607 -0.123,608 0.052,609 0.242,610 0.015,611 0.009,612 -0.015,613 0.242,614 -0.062,615 -0.104,616 -0.026,617 -0.087,618 -0.036,619 -0.06,620 -0.028,621 -0.156,622 -0.073,623 -0.146,624 -0.083,625 -0.13,626 -0.091,627 -0.109,628 -0.008,629 0.044,630 0.054,631 -0.138,632 -0.027,633 0.175,634 -0.027,635 0.078,636 -0.06,637 0.132,638 -0.021,639 -0.008,640 -0.042,641 0.006,642 -0.023,643 0.004,644 0.006,645 -0.024,646 -0.155,647 -0.009,648 -0.08,649 -0.005,650 -0.061,651 4.498,652 5.405,653 0.545,654 41.971,655 1.005,656 1.118,657 2.878,658 8.281,659 0.695,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.653,672 484.06,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 5.1,685 1,690 1,693 1,699 12,700 1,704 5,706 18,723 1,724 59,726 22,727 2,728 35,730 61,731 25,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 5,756 4,760 1,761 3,763 1,765 2,772 26,773 6,774 3,775 8,776 2,779 3,784 1,785 3,795 1,802 3,815 1,822 1,823 1,832 3,834 1,837 1,840 33,841 1,844 1,846 5,847 1,861 1,862 5.1,865 3,869 17.583,870 10.176,871 7.347,872 3.433,874 2.924,875 1.4,876 0.981,877 8.929,878 10.227,879 3.892,880 4.472,881 4.929,882 5.407,883 5.91,884 6.058,885 6.313,886 6.462,887 6.692,888 6.97,889 0.9,890 47,891 12.397,893 5.386,894 7.945,895 23.078,897 18.721,899 2.445,900 80.694,904 270.735,905 162.883,906 66.088,907 39.149,908 69.458,910 5.807,911 157.076,912 379.342,913 66.088,915 45.141,916 126.451,917 114.49,918 35.888,920 247.193,921 39.149,922 270.735,923 223.163,924 69.458,925 44.956,927 247.193,928 93,931 79.641,932 117.261,933 71.218,935 270.735,936 135.546,937 202.032,939 5.807,940 270.735,941 34.742,942 122.334,943 16.405,944 158.289,945 270.735,946 135.546,947 202.032,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.18,956 11,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 24.817,969 11.873,970 7.623,972 135.546,973 21.462,974 4.211,978 3.691,980 49.302,981 608.313,982 48,986 -3.581,987 35.817,989 2.092,991 0.727,994 59.291,995 65.97,996 0.286,997 0.625,998 0.8,999 0.906,1000 0.914,1001 0.914,1002 5.103,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.159,1008 1.906,1009 6.691,1010 4.486,1011 6.322,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.103,1017 1.593,1018 7.84,1019 4.037,1020 7.647,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.406,1026 2.857,1027 10.837,1028 6.01,1029 9.018,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.196,1035 2.98,1036 12.881,1037 6.388,1038 10.427,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 10.012,1044 3.972,1045 15.497,1046 7.847,1047 11.866,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.188,1053 4.33,1054 17.844,1055 8.607,1056 13.328,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.823,1062 5.163,1063 20.369,1064 9.856,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.184,1071 5.648,1072 22.817,1073 10.8,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.75,1080 6.39,1081 25.322,1082 11.961,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 6.944,1090 27.805,1091 12.993,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 7.637,1099 30.309,1100 14.12,1101 2.232,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 8.228,1108 32.808,1109 15.192,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 8.895,1117 35.314,1118 16.307,1119 1.671,1120 5.184,1121 29.988,1122 2.922,1123 18.429,1124 23.294,1125 9.506,1126 37.821,1127 17.399,1128 16206,1129 29360,1130 22.94,1131 41.023,1132 51.442,1133 53.082,1134 52.276,1135 51.317,1136 51.047,1137 69.004,1138 3.772,1139 140.992,1140 49.307,1141 5.744,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 3.272,1148 19.555,1149 5.063,1150 17.959,1151 1.47,1152 1.517,1153 1.494,1154 1.466,1155 1.458,1156 1.972,1157 0.108,1158 4.028,1159 1.409,1160 4.084,1161 4.078,1162 4.736,1163 4.069,1164 7.717,1165 3.993,1166 3.993,1167 4.003,1168 3.955,1169 3.95,1170 7.437,1171 3.93,1172 3.819,1173 3.858,1174 3.923,1175 3.737,1176 6.999,1177 3.735,1178 3.708,1179 3.761,1180 3.747,1181 3.581,1182 4.938,1183 3.558,1184 3.651,1185 3.661,1186 3.59,1187 3.556,1188 4.914,1189 3.509,1190 3.438,1191 3.476,1192 3.356,1193 3.302,1194 4.881,1195 3.295,1196 3.285,1197 3.33,1198 3.194,1199 3.115,1200 4.719,1201 3.103,1202 3.027,1203 3.099,1204 3.12,1205 2.839,1206 4.27,1207 2.841,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.054,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 1.886,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.094,1229 2.067,1230 1.301,1231 2.087,1232 1.949,1233 1.951,1234 1.966,1235 2.012,1236 1.235,1237 2.046,1238 1.812,1239 1.777,1240 1.946,1241 1.921,1242 1.146,1243 1.934,1244 1.689,1245 1.637,1246 1.894,1247 1.871,1248 1.028,1249 1.88,1250 1.542,1251 1.53,1252 1.701,1253 1.716,1254 0.866,1255 1.739,1256 1.371,1257 1.348,1258 1.544,1259 1.58,1260 0.674,1261 1.58,1262 1.228,1263 1.193,1264 1.273,1265 1.409,1266 0.521,1267 1.451,1268 0.996,1269 0.933,1270 1.181,1271 1.235,1272 0.33,1273 1.258,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1285 5.827,1288 5.236,1290 2.592,1291 2.622,1300 38.545,1301 99.258,1302 217.022,1303 277.592,1304 314.321,1305 317.076,1306 317.076,1307 86.338,1308 7.302,1309 102.15,1310 110.53,1311 18,1312 12.417,1313 4.524,1314 3.807,1315 64.462,1316 172,1317 168,1318 0.18,1319 248.033,1320 435.33,1321 596.96,1322 15053,1323 1.7,1324 23.684,1325 0.718,1326 0.595,1327 24.434,1328 19.649,1329 15.848,1330 0.453,1331 0.356,1332 10.657,1333 14.384,1334 10.264,1335 8.526,1336 16.958,1337 12.445,1338 14.359,1339 0.306,1340 0.207,1341 16.09,1342 9.72,1343 10.876,1344 0.194,1345 0.121,1346 12.272,1347 6.772,1348 8.348,1349 0.126,1350 0.068,1351 9.37,1352 4.483,1353 6.556,1354 0.082,1355 0.04,1356 7.514,1357 3.206,1358 0.293,1359 109.268,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 495.561,1365 226.724,1366 536.509,1367 704.06,1368 492,1369 185,1370 449.997,1371 247.311,1372 505.724,1373 723.48,1374 474,1375 7.409} {0 CHEMBL127357,1 1.557,2 14.788,3 4.195,4 17.595,5 130.363,6 7.617,7 0.514,8 4.177,9 4.277,10 3.881,11 3.79,12 5.269,13 3.731,14 4.697,15 4.846,16 4.097,17 4.152,18 5.989,19 4.063,20 4.983,21 5.19,22 4.094,23 4.283,24 6.018,25 4.155,26 4.997,27 5.211,28 4.095,29 4.272,30 6.041,31 4.133,32 5.029,33 5.245,34 4.116,35 4.265,36 6.139,37 4.143,38 5.01,39 5.237,40 4.047,41 4.252,42 6.057,43 4.119,44 4.97,45 5.2,46 3.932,47 4.195,48 5.997,49 4.058,50 4.911,51 5.151,52 3.884,53 4.091,54 5.97,55 3.966,56 0.093,57 0.833,58 15.153,59 6.255,60 21.522,61 7.534,62 0.395,63 1.333,64 25.295,65 10.472,66 80.96,67 13.046,68 0.362,69 1.668,70 35.756,71 13.807,72 80.38,73 17.315,74 0.294,75 1.693,76 38.222,77 14.608,78 74.675,79 18.194,80 0.401,81 1.731,82 38.079,83 13.995,84 89.809,85 17.578,86 0.324,87 1.723,88 37.58,89 13.961,90 70.749,91 18.008,92 0.287,93 1.615,94 34.815,95 13.47,96 67.622,97 17.654,98 0.23,99 1.487,100 31.673,101 12.416,102 60.258,103 16.656,104 22,105 46,106 0.249,107 0.563,108 0.737,109 0.846,110 0.871,111 0.871,112 3.531,113 1.072,114 -3.98,115 -3.93,116 -3.73,118 42.6,120 4,124 2,133 1,134 1,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 3,175 3,177 2,180 24,181 1,186 5,191 3,194 21,195 1,198 9,203 5,206 16,207 1,210 10,215 5,218 16,219 1,222 10,227 3,229 15,230 2,234 8,239 3,242 13,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 5,262 1,264 5,267 11,268 1,270 2118,271 22.104,272 22.104,273 22.104,274 22.104,275 22.104,276 19.174,277 14.886,278 13.615,279 22.313,280 17.336,281 17.336,282 17.336,283 17.336,284 17.336,285 12.989,286 11.472,287 6.533,288 17.676,289 4.374,290 2.412,291 1.329,292 0.648,293 0.492,294 0.492,295 4.215,300 1,301 1019,302 4.69,306 407.398,313 2.257,314 37.334,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71,326 488,327 4.697,328 4.504,329 6.741,330 4.142,331 3.216,332 4.488,333 2.341,334 11.044,335 3.011,336 4.38,337 3.596,338 6.5,339 4.014,340 3.015,341 3.968,342 1.416,343 10.18,344 2.953,345 3.908,346 3.039,347 5.414,348 3.516,349 2.519,350 3.47,352 7.106,353 2.512,354 3.835,355 2.701,356 5.273,357 3.396,358 2.397,359 3.397,361 6.734,362 2.394,363 3.555,364 2.541,365 5.133,366 3.237,367 2.232,368 2.921,370 6.124,371 2.219,372 3.529,373 2.181,374 4.659,375 3.11,376 2.122,377 2.709,379 5.184,380 2.096,381 3.051,382 1.912,383 4.149,384 2.625,385 1.635,386 2.227,388 3.817,389 1.616,390 2.883,391 1.624,392 3.766,393 2.441,394 1.444,395 2.043,397 3.084,398 1.438,399 2.721,400 1.497,401 3.564,402 2.381,403 1.4,404 1.75,406 2.947,407 1.369,408 2.5,409 1.388,410 3.509,411 2.136,412 1.174,413 1.5,415 2.59,416 1.125,417 2.5,418 1.128,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.291,429 2,430 1,431 1.5,433 2.136,434 1,435 2.319,436 1,437 3.247,438 1.957,439 1,440 1.289,442 2.136,443 0.954,444 2.197,445 1,446 3.247,447 1.835,448 0.843,449 1.078,451 1.999,452 0.833,453 1.381,454 0.761,455 3.056,456 1.206,457 0.214,458 0.235,460 0.486,461 0.21,462 15.967,463 0.484,464 0.745,465 0.023,466 43.25,467 1.311,468 24,469 0.727,470 19.25,471 0.583,472 27.085,473 0.821,474 35.633,475 0.584,476 34.549,477 1.047,478 8.5,479 0.258,480 7.427,481 0.225,482 0.084,483 0.052,484 0.188,487 0.586,488 1.179,489 0.856,490 1.159,491 0.682,492 0.963,493 0.486,494 1.124,495 1.073,496 1.159,497 0.47,498 1.102,499 1.024,500 0.968,501 1.056,502 0.976,503 1.037,504 1.023,505 0.891,506 1.108,507 1.118,508 1.129,509 0.897,510 1.07,511 1.134,512 1.024,513 1.034,514 0.97,515 1.111,516 0.996,517 0.871,518 1.022,519 1.028,520 1.021,521 0.803,522 1.022,523 0.828,524 1.027,525 0.956,526 1.026,527 0.833,528 1.069,529 0.782,530 1.03,531 0.74,532 0.94,533 0.762,534 0.995,535 6.5,536 0.219,537 2.889,538 1.875,539 1.164,540 0.75,541 0.604,542 0.479,543 0.357,544 0.186,545 16849,546 49726,547 2.022,548 45.9,549 4,550 16,552 2,553 2,554 2,555 2,558 1.75,559 1.913,560 3.803,561 0.162,567 94.958,568 1.557,569 3.519,570 4.602,571 5.283,572 5.439,573 5.439,574 3.248,575 4.56,576 5.012,577 4.035,578 2130.47,579 8.768,580 34457.3,585 361.775,586 1.359,587 4.979,588 0.186,589 0.008,590 0.063,591 0.043,592 0.027,593 0.017,594 0.014,595 0.013,596 0.01,597 0.006,598 0.386,599 0.33,600 0.75,601 1.286,602 179.875,603 0.054,604 -0.032,605 0.174,606 -0.013,607 -0.107,608 0.042,609 0.282,610 -0.032,611 -0.095,612 -0.105,613 0.262,614 -0.116,615 -0.133,616 0.032,617 -0.087,618 0.024,619 -0.132,620 -0.032,621 -0.057,622 -0.115,623 -0.062,624 -0.073,625 -0.046,626 -0.058,627 -0.13,628 -0.027,629 -0.05,630 0.01,631 -0.092,632 -0.02,633 -0.067,634 -0.018,635 -0.056,636 -0.037,637 -0.023,638 -0.03,639 -0.048,640 -0.063,641 -0.067,642 -0.079,643 -0.037,644 -0.072,645 0.021,646 -0.101,647 0.079,648 -0.046,649 0.036,650 -0.001,651 4.306,652 5.297,653 0.545,654 43.157,655 1.001,656 1.117,657 2.748,658 7.55,659 0.678,660 3.584,661 3.85,662 3.989,663 4.19,664 4.357,665 4.331,666 4.443,667 4.511,668 4.489,669 4.511,670 8.705,671 0.638,672 464.63,673 3.584,674 5.094,675 5.889,676 6.735,677 7.548,678 8.4,679 9.223,680 10.079,681 10.908,682 11.766,683 3.3,685 1,693 1,699 13,700 1,704 4,706 18,724 61,726 22,727 2,728 35,730 63,731 26,733 17,734 3,735 9,736 2,739 3,740 3,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 28,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,840 33,844 1,845 1,846 6,847 1,862 6.6,864 1,865 3,869 17.25,870 10.483,871 7.389,872 3.586,874 2.867,875 1.395,876 0.958,877 9.086,878 10.132,879 3.892,880 4.449,881 4.842,882 5.352,883 5.84,884 5.903,885 6.257,886 6.53,887 6.658,888 6.897,889 0.9,890 44,891 12.402,893 5.347,894 7.937,895 23.242,897 18.849,899 2.437,900 80.417,904 306.049,905 167.599,906 33.191,908 112.141,910 5.807,911 161.791,912 418.19,913 33.191,915 13.144,916 135.927,917 153.379,918 34.023,920 282.506,922 306.049,923 194.982,924 112.141,925 5.807,927 282.506,928 135.683,931 47.643,932 121.076,933 32.069,935 306.049,936 145.332,937 167.599,939 5.807,940 306.049,941 29.981,942 131.81,943 16.405,944 128.927,945 306.049,946 145.332,947 167.599,949 0.566,950 0.298,951 0.157,952 0.086,953 18,954 8,955 0.19,956 12,958 1,959 4.532,960 275.161,962 18,963 156.465,967 1,968 24.537,969 12.221,970 8.396,972 145.332,973 24.448,974 4.198,978 3.756,980 59.088,981 618.979,982 48,986 -3.389,987 35.381,989 2.048,991 0.207,994 61.076,995 68.152,996 0.262,997 0.593,998 0.776,999 0.891,1000 0.917,1001 0.917,1002 5.091,1003 1.444,1004 5.861,1005 3.817,1006 4.533,1007 5.136,1008 2.608,1009 6.611,1010 4.492,1011 6.295,1012 1.4,1013 7.381,1014 3.084,1015 4.111,1016 5.017,1017 2.243,1018 7.662,1019 4.014,1020 7.606,1021 1.174,1022 9.015,1023 2.947,1024 6.107,1025 7.345,1026 3.822,1027 10.615,1028 6.007,1029 8.96,1030 1,1031 10.723,1032 2.59,1033 6.524,1034 8.058,1035 4.112,1036 12.526,1037 6.345,1038 10.351,1039 1,1040 12.481,1041 2.275,1042 7.999,1043 9.885,1044 5.287,1045 15.064,1046 7.813,1047 11.769,1048 1,1049 14.274,1050 2.136,1051 8.803,1052 10.977,1053 5.889,1054 17.276,1055 8.53,1056 13.207,1057 0.843,1058 16.091,1059 2.136,1060 10.071,1061 12.605,1062 6.882,1063 19.7,1064 9.777,1065 3.216,1066 0.214,1067 17.927,1068 1.999,1069 11.058,1070 13.886,1071 7.625,1072 22.018,1073 10.682,1074 3.015,1075 11.044,1076 19.775,1077 0.486,1078 12.245,1079 15.428,1080 8.538,1081 24.41,1082 11.833,1083 2.519,1084 10.18,1085 21.634,1086 4.488,1087 13.318,1088 16.807,1089 9.342,1090 26.768,1091 12.832,1092 2.397,1093 7.106,1094 23.5,1095 3.968,1096 14.476,1097 18.312,1098 10.22,1099 29.152,1100 13.943,1101 2.232,1102 6.734,1103 25.373,1104 3.47,1105 15.59,1106 19.743,1107 11.051,1108 31.524,1109 14.987,1110 2.122,1111 6.124,1112 27.25,1113 3.397,1114 16.739,1115 21.236,1116 11.914,1117 33.908,1118 16.083,1119 1.635,1120 5.184,1121 29.131,1122 2.921,1123 17.872,1124 22.694,1125 12.755,1126 36.288,1127 17.151,1128 16469,1129 28440,1130 23.227,1131 41.375,1132 50.772,1133 52.6,1134 51.252,1135 50.508,1136 50.424,1137 68.153,1138 7.515,1139 135.682,1140 49.461,1141 5.612,1142 6.504,1143 6.543,1144 5.179,1145 5.216,1146 7.488,1147 3.925,1148 17.787,1149 5.011,1150 15.969,1151 1.451,1152 1.503,1153 1.464,1154 1.443,1155 1.441,1156 1.947,1157 0.215,1158 3.877,1159 1.413,1160 4.064,1161 4.07,1162 4.723,1163 4.028,1164 7.716,1165 3.974,1166 3.983,1167 3.992,1168 3.953,1169 3.942,1170 7.474,1171 3.904,1172 3.828,1173 3.865,1174 3.785,1175 3.748,1176 6.999,1177 3.738,1178 3.769,1179 3.773,1180 3.746,1181 3.707,1182 6.351,1183 3.643,1184 3.695,1185 3.737,1186 3.58,1187 3.551,1188 4.923,1189 3.546,1190 3.434,1191 3.467,1192 3.346,1193 3.299,1194 4.746,1195 3.294,1196 3.288,1197 3.336,1198 3.152,1199 3.109,1200 4.716,1201 3.105,1202 3.008,1203 3.053,1204 2.875,1205 2.821,1206 4.247,1207 2.826,1208 0.134,1209 0.129,1210 0.193,1211 0.118,1212 0.092,1213 4.697,1214 0.128,1215 4.504,1216 0.067,1217 6.741,1218 0.316,1219 4.142,1220 0.086,1221 3.216,1222 4.488,1223 2.341,1224 11.044,1225 3.011,1226 1.992,1227 1.97,1228 2.093,1229 2.067,1230 1.303,1231 2.087,1232 1.943,1233 1.933,1234 2.033,1235 2.021,1236 1.258,1237 2.052,1238 1.816,1239 1.781,1240 1.958,1241 1.93,1242 1.195,1243 1.943,1244 1.682,1245 1.665,1246 1.889,1247 1.856,1248 1.034,1249 1.869,1250 1.646,1251 1.628,1252 1.708,1253 1.792,1254 0.9,1255 1.831,1256 1.396,1257 1.361,1258 1.517,1259 1.565,1260 0.799,1261 1.586,1262 1.253,1263 1.203,1264 1.457,1265 1.47,1266 0.658,1267 1.484,1268 0.961,1269 0.917,1270 1.202,1271 1.196,1272 0.353,1273 1.197,1274 4.263,1276 5.541,1278 7,1280 8.539,1282 10.12,1289 8.865,1290 2.236,1291 2.667,1300 38.937,1301 94.958,1302 214.644,1303 280.702,1304 322.265,1305 331.775,1306 331.775,1307 85.687,1308 7.265,1309 96.36,1310 104.74,1311 18,1312 12.325,1313 4.524,1314 3.807,1315 64.459,1316 174,1317 164,1318 0.177,1319 246.494,1320 435.21,1321 593.206,1322 14641,1324 23.52,1325 0.713,1326 0.581,1327 23.77,1328 19.169,1329 15.927,1330 0.455,1331 0.357,1332 10.909,1333 14.757,1334 10.52,1335 8.755,1336 16.781,1337 12.51,1338 14.286,1339 0.311,1340 0.207,1341 15.595,1342 9.538,1343 10.353,1344 0.195,1345 0.122,1346 11.201,1347 6.473,1348 8.4,1349 0.129,1350 0.071,1351 9.235,1352 4.617,1353 6.539,1354 0.085,1355 0.04,1356 7.206,1357 3.112,1358 0.289,1359 107.182,1360 0.207,1361 31.555,1362 0.459,1363 162,1364 488.195,1365 207.051,1366 496.59,1367 654.23,1368 456,1369 180,1370 432.634,1371 230.714,1372 474.843,1373 672.94,1374 444,1375 8.301} {0 CHEMBL127380,1 1.682,2 13.879,3 4.852,4 23.543,5 130.333,6 8.363,7 0.514,8 4.137,9 4.228,10 3.915,11 3.77,12 5.26,13 3.714,14 4.65,15 4.787,16 4.188,17 4.14,18 5.998,19 4.057,20 4.929,21 5.118,22 4.209,23 4.279,24 6.037,25 4.158,26 4.964,27 5.159,28 4.121,29 4.242,30 6.096,31 4.126,32 4.957,33 5.157,34 4.177,35 4.255,36 6.052,37 4.138,38 4.995,39 5.211,40 4.21,41 4.291,42 6.095,43 4.161,44 5.01,45 5.238,46 4.077,47 4.265,48 6.019,49 4.127,50 4.978,51 5.212,52 4.072,53 4.18,54 6.079,55 4.057,56 0.113,57 0.782,58 12.796,59 5.782,60 23.021,61 6.642,62 0.418,63 1.243,64 21.1,65 9.577,66 78.845,67 11.627,68 0.4,69 1.568,70 37.014,71 13.791,72 76.119,73 16.295,74 0.506,75 1.6,76 38.006,77 13.757,78 97.389,79 16.15,80 0.478,81 1.608,82 34.917,83 13.015,84 88.6,85 15.821,86 0.497,87 1.685,88 37.075,89 14.088,90 77.501,91 18.046,92 0.367,93 1.69,94 36.289,95 14.322,96 69.595,97 18.521,98 0.385,99 1.613,100 37.418,101 13.667,102 67.451,103 17.499,104 31,105 47,106 0.272,107 0.597,108 0.772,109 0.885,110 0.891,111 0.891,112 3.531,113 1.061,114 -4.51,115 -4.44,116 -4.18,118 43.1,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 17,207 1,210 6,215 3,218 18,219 1,222 10,227 4,229 16,230 2,234 9,239 4,242 13,243 3,247 7,248 1,252 5,255 11,256 3,258 1,259 7,262 2,264 5,267 9,268 2,270 2145,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 13.432,278 13.287,279 22.298,280 17.293,281 17.293,282 17.293,283 17.293,284 17.293,285 12.972,286 6.789,287 6.326,288 17.962,289 4.176,290 2.16,291 1.082,292 0.379,293 0.345,294 0.345,295 4.212,297 1,300 1,301 953,302 4.637,306 384.861,313 2.026,314 41.522,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71.333,326 458,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.39,337 3.596,338 6.508,339 4.025,340 3.027,341 3.985,343 10.223,344 3.022,345 3.912,346 3.057,347 5.484,348 3.516,349 2.52,350 3.475,352 7.303,353 2.51,354 3.834,355 2.898,356 5.149,357 3.311,358 2.399,359 3.393,361 6.32,362 2.219,363 3.552,364 2.685,365 5.038,366 3.237,367 2.232,368 2.846,370 5.857,371 2.158,372 3.482,373 2.151,374 4.729,375 3.057,376 2.071,377 2.708,379 5.183,380 2.04,381 3.085,382 1.931,383 4.659,384 2.633,385 1.671,386 2.292,388 4.758,389 1.611,390 3.022,391 1.852,392 4.127,393 2.561,394 1.596,395 2.196,397 3.772,398 1.462,399 2.729,400 1.514,401 3.564,402 2.387,403 1.404,404 1.796,406 2.948,407 1.374,408 2.647,409 1.31,410 3.55,411 2.221,412 1.233,413 1.676,415 2.716,416 1.216,417 2.5,418 1.176,419 3.454,420 2.007,421 1.038,422 1.5,424 2.324,425 1,426 2.5,427 1.1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.247,436 1,437 3.257,438 1.957,439 1,440 1.202,442 2.136,443 0.954,444 2.201,445 1,446 3.247,447 1.801,448 0.804,449 1.059,451 1.92,452 0.798,453 1.295,454 0.614,455 2.936,456 1.123,457 0.122,458 0.136,460 0.278,461 0.121,462 16.181,463 0.49,464 0.824,465 0.025,466 43.5,467 1.318,468 24,469 0.727,470 19.5,471 0.591,472 27.776,473 0.842,474 35.419,475 0.611,476 35.567,477 1.078,478 8.495,479 0.257,480 7.353,481 0.223,482 0.127,483 0.052,484 0.216,487 0.578,488 1.166,489 0.727,490 1.087,491 0.682,492 0.905,493 0.489,494 1.076,495 0.806,496 0.991,497 0.466,498 1.018,499 0.916,500 1.043,501 1.083,502 1.079,503 0.88,504 1.022,505 1.114,506 1.056,507 1.078,508 1.063,509 1.151,510 1.052,511 0.981,512 1.019,513 0.722,514 0.869,515 1.056,516 1.018,517 0.483,518 1.065,519 0.784,520 1.042,521 0.475,522 1.063,523 0.653,524 1.055,525 0.768,526 0.976,527 0.662,528 1.05,529 0.772,530 1.03,531 0.795,532 0.96,533 0.695,534 0.977,535 7,536 0.276,537 3.778,538 2.063,539 1.116,540 0.944,541 0.606,542 0.502,543 0.337,544 0.357,545 15673,546 53146,547 2.004,548 43.1,549 4,550 13,552 2,553 2,554 2,555 2,558 1.753,559 1.877,560 3.72,561 0.192,567 97.57,568 1.682,569 3.698,570 4.776,571 5.479,572 5.513,573 5.513,574 3.199,575 4.62,576 5.013,577 3.922,578 2070.84,579 8.788,580 32479.4,585 339.763,586 1.478,587 4.968,588 0.2,589 0.008,590 0.08,591 0.044,592 0.025,593 0.021,594 0.013,595 0.012,596 0.008,597 0.01,598 0.423,599 0.17,600 0.75,601 1.33,602 177.875,603 0.038,604 -0.033,605 0.123,606 -0.018,607 -0.113,608 0.042,609 0.255,610 0.004,612 -0.021,613 0.26,614 -0.076,615 -0.092,616 -0.034,617 -0.081,618 -0.032,619 -0.053,620 -0.021,621 -0.157,622 -0.059,623 -0.145,624 -0.062,625 -0.133,626 -0.072,627 -0.123,628 -0.022,629 0.014,630 0.037,631 -0.145,632 -0.057,633 0.149,634 -0.071,635 0.056,636 -0.093,637 0.115,638 -0.057,639 0.003,640 -0.088,641 0.013,642 -0.053,643 -0.005,644 -0.042,645 0.007,646 -0.063,647 0.058,648 -0.034,649 0.053,650 0.025,651 4.532,652 5.476,653 0.545,654 39.576,655 1.009,656 1.115,657 3.284,658 10.783,659 0.698,660 3.584,661 3.871,662 4.043,663 4.22,664 4.407,665 4.431,666 4.466,667 4.511,668 4.522,669 4.595,670 8.1,671 0.659,672 485.04,673 3.584,674 5.106,675 5.916,676 6.77,677 7.601,678 8.461,679 9.302,680 10.167,681 11.012,682 11.879,683 3.4,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 58,726 22,727 2,728 35,730 60,731 25,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 5,756 4,760 1,761 3,763 1,765 2,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 5,847 1,861 1,862 6.9,864 1,865 3,869 17.583,870 10.043,871 7.347,872 3.4,874 2.987,875 1.409,876 0.961,877 8.929,878 10.29,879 3.892,880 4.472,881 4.929,882 5.417,883 5.916,884 6.054,885 6.302,886 6.469,887 6.693,888 6.968,889 1,890 47,891 12.419,893 5.426,894 8.006,895 22.987,897 18.65,899 2.506,900 82.694,904 270.735,905 159.088,906 33.191,907 39.149,908 112.141,910 5.807,911 153.281,912 422.025,913 33.191,915 12.244,916 126.451,917 153.379,918 35.888,920 247.193,921 39.149,922 270.735,923 186.471,924 112.141,925 44.956,927 247.193,928 135.683,931 46.744,932 113.466,933 71.218,935 270.735,936 145.332,937 198.237,939 5.807,940 270.735,941 30.947,942 122.334,943 16.405,944 168.075,945 270.735,946 145.332,947 198.237,949 0.573,950 0.311,951 0.157,952 0.086,953 19,954 9,955 0.183,956 11,958 1,959 4.412,960 282.551,962 18,963 160.465,967 1,968 24.817,969 11.873,970 7.623,972 145.332,973 21.213,974 4.201,978 3.534,980 59.088,981 614.304,982 48,986 -3.615,987 35.773,989 2.03,991 0.159,994 58.516,995 64.681,996 0.287,997 0.631,998 0.815,999 0.935,1000 0.941,1001 0.941,1002 5.103,1003 1.596,1004 5.905,1005 4.758,1006 4.554,1007 5.159,1008 2.258,1009 6.693,1010 4.481,1011 6.322,1012 1.404,1013 7.458,1014 3.772,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.647,1021 1.233,1022 9.131,1023 2.948,1024 6.163,1025 7.406,1026 3.628,1027 10.845,1028 6.003,1029 9.018,1030 1.038,1031 10.885,1032 2.716,1033 6.661,1034 8.196,1035 4.112,1036 12.886,1037 6.376,1038 10.427,1039 1,1040 12.696,1041 2.324,1042 8.121,1043 10.014,1044 5.201,1045 15.506,1046 7.841,1047 11.866,1048 1,1049 14.547,1050 2.275,1051 9.004,1052 11.191,1053 5.889,1054 17.851,1055 8.603,1056 13.329,1057 0.804,1058 16.428,1059 2.136,1060 10.281,1061 12.827,1062 6.849,1063 20.376,1064 9.856,1065 3.374,1066 0.122,1067 18.331,1068 1.92,1069 11.339,1070 14.189,1071 7.625,1072 22.823,1073 10.804,1074 3.027,1075 12.404,1076 20.251,1077 0.278,1078 12.554,1079 15.755,1080 8.526,1081 25.328,1082 11.968,1083 2.52,1084 10.223,1085 22.183,1086 4.697,1087 13.689,1088 17.207,1089 9.342,1090 27.811,1091 13.004,1092 2.399,1093 7.303,1094 24.125,1095 3.985,1096 14.886,1097 18.749,1098 10.216,1099 30.314,1100 14.133,1101 2.232,1102 6.32,1103 26.075,1104 3.475,1105 16.056,1106 20.245,1107 11.051,1108 32.812,1109 15.209,1110 2.071,1111 5.857,1112 28.031,1113 3.393,1114 17.251,1115 21.781,1116 11.912,1117 35.318,1118 16.326,1119 1.671,1120 5.183,1121 29.992,1122 2.846,1123 18.437,1124 23.299,1125 12.755,1126 37.824,1127 17.421,1128 15424,1129 28608,1130 22.94,1131 40.472,1132 51.494,1133 52.962,1134 52.249,1135 51.282,1136 50.98,1137 68.923,1138 4.682,1139 140.835,1140 49.098,1141 5.746,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.813,1151 1.471,1152 1.513,1153 1.493,1154 1.465,1155 1.457,1156 1.969,1157 0.134,1158 4.024,1159 1.403,1160 4.085,1161 4.078,1162 4.736,1163 4.069,1164 7.717,1165 3.994,1166 3.993,1167 4.002,1168 3.956,1169 3.951,1170 7.474,1171 3.931,1172 3.817,1173 3.855,1174 3.924,1175 3.734,1176 6.999,1177 3.732,1178 3.697,1179 3.742,1180 3.745,1181 3.58,1182 6.351,1183 3.549,1184 3.651,1185 3.659,1186 3.579,1187 3.548,1188 4.937,1189 3.508,1190 3.411,1191 3.432,1192 3.333,1193 3.275,1194 4.913,1195 3.268,1196 3.291,1197 3.325,1198 3.201,1199 3.137,1200 4.719,1201 3.123,1202 3.027,1203 3.066,1204 3.125,1205 2.835,1206 4.268,1207 2.845,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.994,1227 1.979,1228 2.094,1229 2.068,1230 1.303,1231 2.088,1232 1.948,1233 1.951,1234 1.963,1235 2.011,1236 1.232,1237 2.045,1238 1.81,1239 1.775,1240 1.945,1241 1.919,1242 1.146,1243 1.931,1244 1.679,1245 1.631,1246 1.889,1247 1.856,1248 1.02,1249 1.868,1250 1.54,1251 1.53,1252 1.701,1253 1.714,1254 0.868,1255 1.739,1256 1.344,1257 1.326,1258 1.52,1259 1.537,1260 0.669,1261 1.534,1262 1.238,1263 1.211,1264 1.219,1265 1.406,1266 0.522,1267 1.449,1268 0.976,1269 0.936,1270 1.181,1271 1.208,1272 0.344,1273 1.207,1274 4.263,1276 5.557,1278 7.038,1280 8.604,1282 10.215,1285 5.835,1289 8.888,1290 2.052,1291 2.625,1300 38.238,1301 97.57,1302 214.464,1303 277.034,1304 317.763,1305 319.763,1306 319.763,1307 89.319,1308 7.302,1309 96.36,1310 104.74,1311 18,1312 12.429,1313 4.524,1314 3.807,1315 64.215,1316 159,1317 167,1318 0.191,1319 245.235,1320 433.12,1321 590.133,1322 15053,1323 1.7,1324 23.684,1325 0.718,1326 0.591,1327 24.434,1328 19.519,1329 15.848,1330 0.453,1331 0.354,1332 10.586,1333 14.351,1334 10.205,1335 8.465,1336 16.958,1337 12.38,1338 14.371,1339 0.306,1340 0.205,1341 16.102,1342 9.651,1343 10.808,1344 0.193,1345 0.12,1346 12.204,1347 6.712,1348 8.427,1349 0.126,1350 0.067,1351 9.449,1352 4.503,1353 6.599,1354 0.081,1355 0.04,1356 7.558,1357 3.222,1358 0.307,1359 109.557,1360 0.209,1361 31.16,1362 0.507,1363 164,1364 518.398,1365 227.911,1366 554.369,1367 723.76,1368 508,1369 185,1370 460.182,1371 247.974,1372 514.264,1373 736.8,1374 482,1375 8.398} {0 CHEMBL127681,1 1.636,2 15.429,3 4.662,4 21.731,5 141.949,6 7.879,7 0.486,8 4.236,9 4.344,10 3.965,11 3.848,12 5.297,13 3.784,14 4.772,15 4.941,16 4.235,17 4.219,18 5.98,19 4.131,20 5.02,21 5.212,22 4.285,23 4.374,24 6.115,25 4.251,26 5.117,27 5.328,28 4.16,29 4.343,30 6.219,31 4.211,32 5.08,33 5.311,34 4.185,35 4.326,36 6.082,37 4.186,38 5.081,39 5.321,40 4.198,41 4.331,42 6.112,43 4.182,44 5.051,45 5.301,46 4.019,47 4.273,48 6.007,49 4.122,50 4.935,51 5.167,52 4.012,53 4.187,54 5.954,55 4.062,56 0.074,57 0.911,58 15.476,59 6.44,60 17.69,61 8.004,62 0.404,63 1.447,64 26.76,65 10.552,66 59.465,67 13.559,68 0.258,69 1.748,70 40.107,71 14.962,72 59.707,73 18.455,74 0.509,75 1.837,76 44.976,77 15.653,78 106.859,79 19.156,80 0.4,81 1.809,82 41.719,83 14.822,84 78.651,85 19.188,86 0.451,87 1.815,88 42.397,89 15.338,90 78.345,91 20.393,92 0.296,93 1.729,94 40.056,95 15.015,96 63.869,97 20.01,98 0.245,99 1.549,100 34.072,101 12.82,102 55.019,103 17.179,104 43,105 50,106 0.259,107 0.568,108 0.746,109 0.835,110 0.842,111 0.842,112 3.588,113 1.076,114 -4.51,115 -4.43,116 -4.18,118 41.5,120 4,123 2,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,168 17,171 2,172 4,175 2,177 1,180 22,186 8,191 3,194 22,198 10,203 4,206 16,210 7,215 2,218 17,222 11,227 2,229 16,234 10,239 1,242 13,247 9,252 2,255 12,258 2,259 8,264 2,267 8,270 2604,271 23.128,272 23.128,273 23.128,274 23.128,275 23.128,276 20.326,277 15.806,278 13.825,279 23.585,280 18.217,281 18.217,282 18.217,283 18.217,284 18.217,285 13.942,286 9.373,287 6.526,288 18.976,289 4.386,290 2.432,291 1.308,292 0.743,293 0.7,294 0.7,295 4.268,297 1,300 1,301 1121,302 4.95,306 434.789,313 2.392,314 38.217,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 74.833,326 540,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.94,334 12.404,335 3.063,336 4.38,337 3.686,338 6.5,339 4.014,340 3.016,341 3.968,342 0.555,343 10.18,344 3.011,345 3.909,346 3.039,347 5.736,348 3.62,349 2.644,350 3.471,352 7.414,353 2.573,354 3.856,355 2.898,356 5.415,357 3.516,358 2.519,359 3.393,361 7.106,362 2.511,363 3.834,364 2.7,365 5.154,366 3.311,367 2.399,368 3.03,370 6.321,371 2.159,372 3.536,373 2.184,374 5.128,375 3.113,376 2.126,377 2.92,379 6.124,380 2.095,381 3.087,382 2.006,383 4.73,384 2.691,385 1.708,386 2.292,388 4.759,389 1.678,390 3.049,391 1.924,392 4.161,393 2.58,394 1.64,395 2.226,397 3.878,398 1.475,399 2.741,400 1.865,401 3.796,402 2.451,403 1.481,404 1.778,406 3.234,407 1.427,408 2.5,409 1.501,410 3.528,411 2.15,412 1.173,413 1.5,415 2.651,416 1.14,417 2.5,418 1.307,419 3.493,420 2.077,421 1.106,422 1.5,424 2.466,425 1.066,426 2.5,427 1.118,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.455,436 1,437 3.414,438 2,439 1,440 1.407,442 2.275,443 1,444 2.281,445 1,446 3.247,447 1.956,448 1,449 1.237,451 2.136,452 0.954,453 2.111,454 1,455 3.173,456 1.741,457 0.736,458 0.932,460 1.715,461 0.735,462 17.248,463 0.493,464 0.913,465 0.026,466 45,467 1.286,468 24,469 0.686,470 21,471 0.6,472 30.916,473 0.883,474 37.952,475 0.584,476 37.423,477 1.069,478 8.81,479 0.252,480 7.949,481 0.227,482 0.157,483 0.048,484 0.226,487 0.511,488 1.326,489 0.745,490 1.162,491 0.611,492 0.981,493 0.643,494 0.954,495 0.807,496 0.882,497 0.546,498 0.913,499 0.963,500 1.109,501 1.084,502 1.147,503 0.925,504 1.069,505 1.397,506 1.028,507 1.1,508 1.046,509 1.528,510 1.057,511 0.969,512 0.982,513 0.701,514 0.859,515 1.061,516 0.98,517 0.494,518 0.995,519 0.774,520 1.005,521 0.48,522 1.01,523 0.695,524 0.957,525 0.769,526 0.93,527 0.717,528 0.962,529 0.803,530 1.046,531 0.765,532 0.92,533 0.797,534 0.981,535 7.5,536 0.31,537 4.667,538 2.063,539 1.196,540 0.944,541 0.647,542 0.51,543 0.406,544 0.328,545 19407,546 58584,547 1.987,548 46.2,549 4,550 19,552 2,553 1,554 2,555 2,558 1.765,559 1.85,560 3.86,561 -0.373,567 106.355,568 1.636,569 3.59,570 4.715,571 5.28,572 5.322,573 5.322,574 3.378,575 4.593,576 5.097,577 4.092,578 2434.68,579 8.941,580 41056.8,585 391.454,586 1.531,587 5.047,588 0.203,589 0.009,590 0.093,591 0.04,592 0.027,593 0.021,594 0.015,595 0.012,596 0.01,597 0.008,598 0.439,599 0.17,600 0.75,601 1.462,602 194.165,603 0.088,604 -0.142,605 0.138,606 -0.07,607 -0.1,608 0.006,609 0.199,610 0.164,611 0.039,612 0.09,613 0.203,614 0.041,615 -0.073,616 -0.084,617 -0.084,618 -0.093,619 -0.012,620 -0.071,621 -0.211,622 -0.048,623 -0.161,624 -0.053,625 -0.186,626 -0.089,627 -0.086,628 -0.003,629 0.058,630 0.058,631 -0.113,632 -0.008,633 0.179,634 -0.02,635 0.088,636 -0.043,637 0.147,638 -0.004,639 0.008,640 -0.014,641 0.037,642 0.01,643 0.009,644 0.045,645 -0.013,646 -0.094,647 0.025,648 -0.023,649 -0.004,650 0.006,651 4.498,652 5.447,653 0.514,654 47.646,655 1.001,656 1.12,657 3.277,658 10.74,659 0.685,660 3.638,661 3.932,662 4.111,663 4.234,664 4.419,665 4.443,666 4.489,667 4.533,668 4.595,669 4.654,670 9.018,671 0.64,672 512.12,673 3.638,674 5.165,675 5.979,676 6.828,677 7.661,678 8.514,679 9.354,680 10.211,681 11.054,682 11.914,683 4.6,685 1,690 1,693 1,699 12,700 1,704 5,706 18,723 1,724 65,726 22,727 2,728 37,730 67,731 27,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 7,756 4,760 1,761 3,763 1,765 2,772 30,773 6,774 1,775 8,776 2,779 3,784 1,785 3,795 1,802 3,817 1,822 1,823 1,832 3,834 1,836 2,837 1,840 35,844 1,846 5,847 1,851 1,861 1,862 4.6,865 3,869 18.917,870 12.043,871 7.792,872 3.8,874 2.899,875 1.392,876 0.967,877 9.763,878 10.291,879 3.932,880 4.505,881 4.972,882 5.416,883 5.916,884 6.062,885 6.32,886 6.475,887 6.721,888 7.003,889 1,890 51,891 13.164,893 5.656,894 7.863,895 24.7,897 19.882,899 2.363,900 82.694,904 341.362,905 179.676,906 36.315,907 39.149,908 69.458,910 5.807,911 173.868,912 449.968,913 36.315,914 16.793,915 15.368,916 126.451,917 114.49,918 35.888,920 317.82,921 39.149,922 341.362,923 210.183,924 69.458,925 44.956,927 317.82,928 93,931 49.868,932 134.054,933 71.218,935 341.362,936 105.773,937 218.825,939 5.807,940 341.362,941 34.742,942 142.251,943 16.405,944 125.392,945 341.362,946 105.773,947 218.825,949 0.579,950 0.324,951 0.15,952 0.081,953 20,954 10,955 0.164,956 11,958 1,959 4.617,960 301.121,962 18,963 167.525,967 1,968 26.781,969 12.76,970 8.121,972 105.773,973 21.663,974 4.247,978 3.758,980 16.405,981 665.959,982 50,986 -3.581,987 36.749,989 2.148,991 1.183,994 65.058,995 72.8,996 0.272,997 0.596,998 0.783,999 0.877,1000 0.884,1001 0.884,1002 5.15,1003 1.64,1004 5.974,1005 4.759,1006 4.615,1007 5.193,1008 2.04,1009 6.763,1010 4.539,1011 6.368,1012 1.481,1013 7.534,1014 3.878,1015 4.29,1016 5.139,1017 1.668,1018 7.904,1019 4.112,1020 7.692,1021 1.173,1022 9.213,1023 3.234,1024 6.232,1025 7.431,1026 2.967,1027 10.895,1028 6.069,1029 9.062,1030 1.106,1031 10.969,1032 2.651,1033 6.746,1034 8.224,1035 3.13,1036 12.919,1037 6.469,1038 10.47,1039 1,1040 12.776,1041 2.466,1042 8.19,1043 10.031,1044 4.132,1045 15.528,1046 7.911,1047 11.908,1048 1,1049 14.621,1050 2.275,1051 9.074,1052 11.205,1053 4.539,1054 17.862,1055 8.682,1056 13.368,1057 1,1058 16.495,1059 2.275,1060 10.339,1061 12.835,1062 5.382,1063 20.382,1064 9.92,1065 3.374,1066 0.736,1067 18.389,1068 2.136,1069 11.39,1070 14.194,1071 5.912,1072 22.824,1073 10.865,1074 3.016,1075 12.404,1076 20.3,1077 1.715,1078 12.595,1079 15.757,1080 6.67,1081 25.327,1082 12.018,1083 2.644,1084 10.18,1085 22.225,1086 4.697,1087 13.723,1088 17.206,1089 7.263,1090 27.808,1091 13.047,1092 2.519,1093 7.414,1094 24.16,1095 3.968,1096 14.912,1097 18.747,1098 7.976,1099 30.311,1100 14.167,1101 2.399,1102 7.106,1103 26.103,1104 3.471,1105 16.076,1106 20.242,1107 8.602,1108 32.809,1109 15.235,1110 2.126,1111 6.321,1112 28.053,1113 3.393,1114 17.266,1115 21.777,1116 9.292,1117 35.315,1118 16.344,1119 1.708,1120 6.124,1121 30.009,1122 3.03,1123 18.448,1124 23.295,1125 9.936,1126 37.821,1127 17.432,1128 19098,1129 33476,1130 24.038,1131 44.546,1132 54.673,1133 56.579,1134 55.753,1135 54.471,1136 54.154,1137 72.053,1138 4.992,1139 150.565,1140 52.08,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.348,1148 19.555,1149 5.063,1150 20.504,1151 1.478,1152 1.529,1153 1.507,1154 1.472,1155 1.464,1156 1.947,1157 0.135,1158 4.069,1159 1.408,1160 4.085,1161 4.079,1162 4.736,1163 4.069,1164 7.717,1165 3.994,1166 3.993,1167 4.003,1168 3.955,1169 3.95,1170 7.427,1171 3.93,1172 3.82,1173 3.859,1174 3.923,1175 3.737,1176 6.999,1177 3.735,1178 3.75,1179 3.805,1180 3.747,1181 3.587,1182 4.937,1183 3.585,1184 3.653,1185 3.666,1186 3.649,1187 3.571,1188 4.913,1189 3.511,1190 3.523,1191 3.588,1192 3.406,1193 3.358,1194 4.719,1195 3.357,1196 3.34,1197 3.381,1198 3.225,1199 3.197,1200 4.271,1201 3.176,1202 3.174,1203 3.235,1204 3.144,1205 3.016,1206 4.26,1207 2.998,1208 0.131,1209 0.127,1210 0.197,1211 0.116,1212 0.091,1213 4.844,1214 0.127,1215 4.683,1216 0.052,1217 7.293,1218 0.335,1219 4.291,1220 0.083,1221 3.374,1222 4.697,1223 1.94,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.094,1229 2.067,1230 1.303,1231 2.087,1232 1.949,1233 1.952,1234 1.968,1235 2.012,1236 1.238,1237 2.046,1238 1.813,1239 1.778,1240 1.948,1241 1.927,1242 1.147,1243 1.939,1244 1.709,1245 1.657,1246 1.904,1247 1.906,1248 1.033,1249 1.907,1250 1.55,1251 1.533,1252 1.768,1253 1.739,1254 0.866,1255 1.76,1256 1.48,1257 1.423,1258 1.692,1259 1.692,1260 0.843,1261 1.72,1262 1.299,1263 1.268,1264 1.474,1265 1.453,1266 0.645,1267 1.492,1268 1.165,1269 1.108,1270 1.417,1271 1.353,1272 0.519,1273 1.392,1274 4.317,1276 5.617,1278 7.102,1280 8.668,1282 10.273,1284 3.535,1285 5.841,1290 2.903,1291 2.636,1295 1.611,1300 41.598,1301 106.355,1302 233.374,1303 306.46,1304 343.189,1305 345.944,1306 345.944,1307 94.842,1308 7.392,1309 79.37,1310 87.75,1311 18,1312 12.468,1313 4.524,1314 3.807,1315 70.718,1316 188,1317 192,1318 0.177,1319 267.218,1320 469.93,1321 643.771,1322 16917,1323 1.5,1324 25.261,1325 0.722,1326 0.615,1327 26.011,1328 21.519,1329 16.759,1330 0.453,1331 0.359,1332 11.458,1333 15.227,1334 10.944,1335 9.15,1336 17.869,1337 13.275,1338 15.186,1339 0.304,1340 0.211,1341 16.918,1342 10.542,1343 11.892,1344 0.198,1345 0.121,1346 13.288,1347 7.238,1348 8.595,1349 0.126,1350 0.069,1351 9.617,1352 4.683,1353 6.73,1354 0.082,1355 0.041,1356 7.689,1357 3.351,1358 0.288,1359 115.188,1360 0.204,1361 33.039,1362 0.459,1363 174,1364 515.893,1365 237.445,1366 554.684,1367 730.44,1368 510,1369 197,1370 469.264,1371 261.308,1372 527.533,1373 754.42,1374 492,1375 7.357} {0 CHEMBL127682,1 1.596,2 16.189,3 6.034,4 36.414,5 148.906,6 7.731,7 0.462,8 4.306,9 4.409,10 4.01,11 3.913,12 5.357,13 3.848,14 4.853,15 5.013,16 4.313,17 4.283,18 6.075,19 4.2,20 5.133,21 5.32,22 4.317,23 4.436,24 6.194,25 4.313,26 5.208,27 5.438,28 4.245,29 4.406,30 6.275,31 4.275,32 5.139,33 5.339,34 4.24,35 4.38,36 6.236,37 4.254,38 5.165,39 5.41,40 4.239,41 4.398,42 6.165,43 4.244,44 5.143,45 5.397,46 4.073,47 4.347,48 6.076,49 4.191,50 5.057,51 5.302,52 4.052,53 4.251,54 6.05,55 4.117,56 0.074,57 0.941,58 16.917,59 7.214,60 19.239,61 8.903,62 0.413,63 1.502,64 29.314,65 12.075,66 72.516,67 15.296,68 0.448,69 1.877,70 45.363,71 16.439,72 74.816,73 19.858,74 0.474,75 1.98,76 49.877,77 17.445,78 98.098,79 21.98,80 0.549,81 1.869,82 43.531,83 15.335,84 109.498,85 19.052,86 0.48,87 1.951,88 46.22,89 16.783,90 83.892,91 22.417,92 0.315,93 1.874,94 43.846,95 16.539,96 67.588,97 22.137,98 0.286,99 1.683,100 39.491,101 14.73,102 64.16,103 19.738,104 57,105 54,106 0.249,107 0.561,108 0.732,109 0.814,110 0.82,111 0.82,112 3.641,113 1.082,114 -5.3,115 -5.19,116 -4.85,118 41.4,119 3,120 4,124 1,129 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,168 17,171 2,172 7,175 2,177 1,180 25,186 8,191 3,194 22,198 13,203 4,206 19,210 7,215 2,218 20,222 11,227 2,229 19,234 10,239 1,242 16,247 9,252 2,255 15,258 2,259 8,264 2,267 14,270 3161,271 24.023,272 24.023,273 24.023,274 24.023,275 24.023,276 21.197,277 17.679,278 14.3,279 24.507,280 19.264,281 19.264,282 19.264,283 19.264,284 19.264,285 14.989,286 14.219,287 6.807,288 20.104,289 4.534,290 2.536,291 1.44,292 0.915,293 0.875,294 0.875,295 4.319,297 1,300 1,301 1239,302 5.339,306 466.331,313 2.573,314 42.318,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 79.333,326 599,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.443,334 12.404,335 3.063,336 4.38,337 3.788,338 6.5,339 4.07,340 3.13,341 3.968,342 0.286,343 10.18,344 3.011,345 4.157,346 3.185,347 6.445,348 4.014,349 3.015,350 3.471,352 10.151,353 2.929,354 3.909,355 3.039,356 5.415,357 3.516,358 2.52,359 3.393,361 7.106,362 2.511,363 3.834,364 2.898,365 5.154,366 3.311,367 2.399,368 3.205,370 6.321,371 2.205,372 3.538,373 2.7,374 5.128,375 3.22,376 2.213,377 2.921,379 6.124,380 2.159,381 3.491,382 2.184,383 4.912,384 3.111,385 2.124,386 2.608,388 5.764,389 2.093,390 3.086,391 1.933,392 4.73,393 2.638,394 1.671,395 2.292,397 4.759,398 1.62,399 3.046,400 1.869,401 4.153,402 2.569,403 1.611,404 2.224,406 3.831,407 1.465,408 2.722,409 1.501,410 3.6,411 2.384,412 1.405,413 1.751,415 2.987,416 1.37,417 2.5,418 1.307,419 3.526,420 2.101,421 1.134,422 1.5,424 2.526,425 1.089,426 2.5,427 1.128,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.313,445 1,446 3.366,447 1.957,448 1,449 1.276,451 2.136,452 0.954,453 2.197,454 1,455 3.247,456 1.84,457 0.851,458 1.081,460 2.055,461 0.838,462 18.181,463 0.491,464 1.139,465 0.031,466 45.75,467 1.236,468 24,469 0.649,470 21.75,471 0.588,472 36.463,473 0.985,474 40.619,475 0.58,476 38.036,477 1.028,478 8.617,479 0.233,480 8.915,481 0.241,482 0.177,483 0.073,484 0.193,487 0.548,488 1.258,489 0.756,490 1.169,491 0.641,492 0.997,493 0.6,494 1.058,495 0.767,496 0.967,497 0.499,498 0.951,499 1.287,500 1.081,501 1.158,502 1.097,503 0.976,504 1.078,505 1.091,506 0.989,507 0.957,508 0.978,509 1.208,510 0.94,511 1.378,512 1.046,513 0.855,514 0.907,515 1.67,516 1.07,517 0.481,518 1.007,519 0.77,520 0.995,521 0.475,522 1.004,523 0.644,524 0.967,525 0.765,526 0.937,527 0.684,528 0.968,529 0.77,530 0.981,531 0.732,532 0.898,533 0.759,534 0.942,535 9.5,536 0.417,537 4.444,538 2.563,539 1.276,540 1,541 0.728,542 0.542,543 0.357,544 0.408,545 22737,546 67062,547 1.966,548 47.1,549 4,550 13,552 2,553 1,554 2,555 11,558 1.779,559 1.82,560 3.915,561 -0.392,567 111.703,568 1.596,569 3.593,570 4.69,571 5.214,572 5.254,573 5.254,574 3.395,575 4.5,576 5.177,577 4.17,578 2777.4,579 9.101,580 49238.6,585 429.05,586 1.6,587 5.115,588 0.244,589 0.01,590 0.082,591 0.049,592 0.026,593 0.022,594 0.016,595 0.013,596 0.009,597 0.01,598 0.479,599 0.17,600 0.75,601 1.581,602 209.259,603 0.076,604 -0.083,605 0.134,606 -0.056,607 -0.113,608 0.014,609 0.271,610 0.029,611 0.086,612 0.03,613 0.267,614 0.026,615 -0.183,616 -0.058,617 -0.152,618 -0.059,619 -0.092,620 -0.098,621 -0.086,622 -0.01,623 -0.019,624 0.012,625 -0.053,626 0.044,627 -0.224,628 -0.041,629 -0.082,630 0.005,631 -0.265,632 -0.128,633 0.158,634 -0.017,635 0.09,636 -0.036,637 0.144,638 0.002,639 0.019,640 -0.008,641 0.04,643 0.026,644 0.037,645 0.017,646 -0.04,647 0.071,648 0.002,649 0.016,650 0.049,651 4.508,652 5.473,653 0.486,654 53.394,655 1.001,656 1.119,657 4.071,658 16.576,659 0.679,660 3.689,661 4.007,662 4.127,663 4.304,664 4.443,665 4.466,666 4.511,667 4.543,668 4.615,669 4.727,670 9.499,671 0.634,672 541.16,673 3.689,674 5.231,675 6.033,676 6.899,677 7.717,678 8.585,679 9.411,680 10.28,681 11.111,682 11.98,683 2.9,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 70,726 22,727 2,728 39,730 72,731 29,733 17,734 4,735 8,736 2,739 3,740 3,741 1,745 3,751 4,753 20,754 9,755 1,756 4,760 1,761 3,763 1,765 2,772 33,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,819 1,822 1,823 1,832 3,834 1,836 3,837 1,840 37,844 1,846 5,847 1,848 1,852 1,861 1,862 5.7,865 3,867 1,869 20.333,870 13.26,871 8.056,872 4.183,874 2.876,875 1.385,876 0.948,877 10.193,878 10.352,879 3.97,880 4.549,881 4.972,882 5.451,883 5.921,884 6.067,885 6.322,886 6.478,887 6.721,888 7.019,889 0.909,890 52,891 13.931,893 6.004,894 7.863,895 26.129,897 21.124,899 2.363,900 87.444,904 376.675,905 191.845,906 33.191,907 39.149,908 80.458,910 5.807,911 186.038,912 496.282,913 33.191,914 26.476,915 12.244,916 126.451,917 116.977,918 46.888,920 353.133,921 39.149,922 376.675,923 219.229,924 80.458,925 44.956,927 247.193,928 209.94,931 73.219,932 119.747,933 71.218,935 376.675,936 113.648,937 230.994,939 5.807,940 376.675,941 37.229,942 148.809,943 16.405,944 136.392,945 376.675,946 113.648,947 230.994,949 0.583,950 0.305,951 0.154,952 0.079,953 22,954 11,955 0.181,956 13,958 1,959 4.762,960 323.878,962 18,963 177.995,967 1,968 28.748,969 13.119,970 9.531,972 113.648,973 21.575,974 4.251,978 3.698,980 16.405,981 721.318,982 52,986 -3.592,987 36.968,989 2.122,991 0.84,994 70.051,995 78.341,996 0.26,997 0.586,998 0.765,999 0.851,1000 0.857,1001 0.857,1002 5.207,1003 1.671,1004 6.061,1005 5.764,1006 4.691,1007 5.236,1008 2.402,1009 6.872,1010 4.609,1011 6.441,1012 1.611,1013 7.633,1014 4.759,1015 4.511,1016 5.239,1017 2.243,1018 8.127,1019 4.335,1020 7.777,1021 1.405,1022 9.324,1023 3.831,1024 6.365,1025 7.471,1026 3.841,1027 11.055,1028 6.182,1029 9.153,1030 1.134,1031 11.09,1032 2.987,1033 6.967,1034 8.273,1035 4.269,1036 13.112,1037 6.676,1038 10.565,1039 1,1040 12.905,1041 2.526,1042 8.373,1043 10.058,1044 5.486,1045 15.692,1046 8.064,1047 12.001,1048 1,1049 14.755,1050 2.275,1051 9.304,1052 11.231,1053 6.158,1054 18.022,1055 8.887,1056 13.459,1057 1,1058 16.63,1059 2.275,1060 10.554,1061 12.851,1062 7.208,1063 20.521,1064 10.1,1065 3.374,1066 0.851,1067 18.524,1068 2.136,1069 11.627,1070 14.207,1071 7.992,1072 22.948,1073 11.073,1074 3.13,1075 12.404,1076 20.433,1077 2.055,1078 12.826,1079 15.766,1080 8.963,1081 25.433,1082 12.217,1083 3.015,1084 10.18,1085 22.353,1086 4.697,1087 13.96,1088 17.213,1089 9.802,1090 27.9,1091 13.258,1092 2.52,1093 10.151,1094 24.282,1095 3.968,1096 15.144,1097 18.752,1098 10.734,1099 30.388,1100 14.374,1101 2.399,1102 7.106,1103 26.219,1104 3.471,1105 16.307,1106 20.246,1107 11.599,1108 32.874,1109 15.448,1110 2.213,1111 6.321,1112 28.163,1113 3.393,1114 17.49,1115 21.78,1116 12.512,1117 35.37,1118 16.554,1119 2.124,1120 6.124,1121 30.111,1122 3.205,1123 18.667,1124 23.297,1125 13.391,1126 37.867,1127 17.642,1128 22415,1129 38840,1130 25.019,1131 47.517,1132 58.135,1133 60.044,1134 58.329,1135 57.626,1136 57.36,1137 75.279,1138 5.458,1139 162.88,1140 55.07,1141 5.751,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 4.174,1148 19.555,1149 5.063,1150 23.014,1151 1.491,1152 1.54,1153 1.496,1154 1.478,1155 1.471,1156 1.93,1157 0.14,1158 4.176,1159 1.412,1160 4.086,1161 4.08,1162 4.736,1163 4.069,1164 7.717,1165 3.994,1166 3.993,1167 4.003,1168 3.956,1169 3.95,1170 7.432,1171 3.93,1172 3.82,1173 3.859,1174 3.924,1175 3.737,1176 6.999,1177 3.735,1178 3.773,1179 3.809,1180 3.747,1181 3.604,1182 4.938,1183 3.609,1184 3.656,1185 3.693,1186 3.672,1187 3.577,1188 4.913,1189 3.517,1190 3.62,1191 3.653,1192 3.476,1193 3.5,1194 4.719,1195 3.479,1196 3.393,1197 3.419,1198 3.301,1199 3.277,1200 4.558,1201 3.261,1202 3.249,1203 3.288,1204 3.177,1205 3.088,1206 4.27,1207 3.076,1208 0.124,1209 0.12,1210 0.187,1211 0.11,1212 0.087,1213 4.844,1214 0.12,1215 4.683,1216 0.063,1217 7.293,1218 0.318,1219 4.291,1220 0.079,1221 3.374,1222 4.697,1223 2.443,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.093,1229 2.067,1230 1.301,1231 2.087,1232 1.949,1233 1.951,1234 1.971,1235 2.012,1236 1.236,1237 2.046,1238 1.813,1239 1.778,1240 1.953,1241 1.93,1242 1.147,1243 1.941,1244 1.726,1245 1.683,1246 1.939,1247 1.914,1248 1.116,1249 1.922,1250 1.643,1251 1.585,1252 1.879,1253 1.808,1254 1.026,1255 1.838,1256 1.538,1257 1.527,1258 1.698,1259 1.71,1260 0.866,1261 1.736,1262 1.34,1263 1.324,1264 1.499,1265 1.501,1266 0.67,1267 1.519,1268 1.203,1269 1.168,1270 1.417,1271 1.385,1272 0.521,1273 1.421,1274 4.369,1276 5.687,1278 7.177,1280 8.742,1282 10.347,1284 5.594,1285 5.848,1290 2.594,1291 2.636,1292 5.392,1296 -0.481,1300 44.345,1301 111.703,1302 251.504,1303 328.282,1304 365.011,1305 367.766,1306 367.766,1307 109.467,1308 7.476,1309 85.36,1310 93.74,1311 18,1312 12.532,1313 4.524,1314 3.807,1315 77.272,1316 207,1317 216,1318 0.173,1319 283.604,1320 502.32,1321 683.754,1322 18990,1323 1.4,1324 26.891,1325 0.727,1326 0.621,1327 27.641,1328 22.98,1329 17.533,1330 0.45,1331 0.361,1332 12.258,1333 15.979,1334 11.66,1335 9.756,1336 18.642,1337 14.065,1338 16.835,1339 0.312,1340 0.219,1341 18.566,1342 11.84,1343 11.752,1344 0.193,1345 0.117,1346 13.148,1347 7.15,1348 9.436,1349 0.129,1350 0.066,1351 10.458,1352 4.845,1353 6.892,1354 0.082,1355 0.04,1356 7.851,1357 3.378,1358 0.283,1359 119.848,1360 0.2,1361 34.634,1362 0.448,1363 186,1364 551.984,1365 252.679,1366 585.072,1367 771.78,1368 538,1369 208,1370 504.424,1371 273.3,1372 558.837,1373 799.46,1374 522,1375 6.824} {0 CHEMBL127683,1 1.707,2 13.063,3 4.531,4 20.529,5 125.578,6 8.564,7 0.529,8 4.089,9 4.177,10 3.892,11 3.728,12 5.232,13 3.676,14 4.594,15 4.724,16 4.168,17 4.096,18 5.975,19 4.019,20 4.865,21 5.043,22 4.191,23 4.234,24 6.007,25 4.119,26 4.912,27 5.105,28 4.12,29 4.193,30 6.076,31 4.084,32 4.878,33 5.066,34 4.191,35 4.215,36 6.024,37 4.108,38 4.959,39 5.166,40 4.205,41 4.248,42 6.117,43 4.136,44 4.931,45 5.148,46 4.069,47 4.221,48 5.966,49 4.093,50 4.936,51 5.169,52 4.079,53 4.142,54 6.062,55 4.019,56 0.119,57 0.741,58 11.701,59 5.422,60 23.105,61 6.063,62 0.424,63 1.174,64 19.09,65 8.904,66 77.085,67 10.587,68 0.396,69 1.473,70 34.11,71 12.978,72 74.17,73 14.967,74 0.544,75 1.524,76 34.539,77 12.652,78 96.196,79 14.619,80 0.417,81 1.51,82 33.236,83 12.463,84 72.125,85 14.613,86 0.591,87 1.604,88 34.546,89 13.144,90 93.655,91 16.393,92 0.331,93 1.587,94 32.24,95 13.126,96 57.952,97 16.833,98 0.461,99 1.576,100 36.568,101 13.09,102 67.171,103 16.347,104 31,105 46,106 0.279,107 0.607,108 0.779,109 0.884,110 0.89,111 0.89,112 3.502,113 1.048,114 -4.31,115 -4.25,116 -4.01,118 43.6,120 3,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 5,194 20,195 1,198 9,203 5,206 15,207 1,210 8,215 3,218 16,219 1,222 10,227 4,229 16,230 2,234 8,239 4,242 13,243 3,247 7,248 1,250 1,252 5,255 10,256 3,258 1,259 7,262 1,264 4,267 10,268 1,270 1968,271 21.214,272 21.214,273 21.214,274 21.214,275 21.214,276 18.335,277 15.263,278 12.809,279 21.583,280 16.793,281 16.793,282 16.793,283 16.793,284 16.793,285 12.472,286 13.204,287 6.111,288 17.457,289 4.074,290 2.06,291 1.004,292 0.364,293 0.327,294 0.327,295 4.182,297 1,299 1,300 1,301 870,302 4.528,306 366.675,313 1.883,314 41.675,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.8,325 69.333,326 418,327 4.845,328 4.684,329 7.293,330 4.294,331 3.376,332 4.697,333 2.341,334 12.407,335 3.07,336 4.39,337 3.596,338 6.508,339 4.024,340 3.026,341 3.985,342 0.522,343 10.223,344 3.017,345 3.911,346 3.059,347 5.486,348 3.505,349 2.513,350 3.475,352 7.302,353 2.492,354 3.832,355 2.899,356 5.153,357 3.308,358 2.394,359 3.391,361 6.321,362 2.219,363 3.552,364 2.698,365 5.034,366 3.237,367 2.232,368 2.843,370 5.849,371 2.156,372 3.478,373 2.155,374 4.713,375 3.042,376 2.059,377 2.708,379 5.183,380 2.02,381 3.084,382 1.917,383 4.659,384 2.617,385 1.651,386 2.293,388 4.721,389 1.595,390 3.009,391 1.797,392 4.123,393 2.537,394 1.572,395 2.183,397 3.757,398 1.441,399 2.728,400 1.501,401 3.564,402 2.382,403 1.4,404 1.792,406 2.947,407 1.369,408 2.643,409 1.237,410 3.512,411 2.196,412 1.202,413 1.674,415 2.65,416 1.193,417 2.5,418 1.103,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.352,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.205,436 1,437 3.252,438 1.803,439 0.806,440 1.063,442 1.928,443 0.8,444 1.827,445 0.94,446 3.247,447 1.55,448 0.604,449 0.705,451 1.446,452 0.567,453 1.295,454 0.586,455 2.739,456 1.123,457 0.122,458 0.136,460 0.278,461 0.121,462 15.681,463 0.49,464 0.824,465 0.026,466 43,467 1.344,468 24,469 0.75,470 19,471 0.594,472 25.95,473 0.811,474 34.119,475 0.62,476 35.375,477 1.105,478 8.471,479 0.265,480 6.877,481 0.215,482 0.131,483 0.053,484 0.223,487 0.58,488 1.155,489 0.717,490 1.076,491 0.687,492 0.885,493 0.494,494 1.059,495 0.8,496 0.974,497 0.473,498 1,499 0.918,500 1.103,501 1.103,502 1.122,503 0.896,504 1.055,505 1.152,506 0.997,507 1.009,508 0.963,509 1.172,510 1.007,511 0.885,512 1.079,513 0.774,514 0.974,515 0.915,516 1.022,517 0.657,518 0.995,519 0.755,520 0.95,521 0.705,522 1.017,523 0.594,524 1.11,525 0.764,526 1.009,527 0.576,528 1.078,529 0.803,530 0.94,531 0.826,532 0.925,533 0.707,534 0.944,535 7,536 0.231,537 3.778,538 1.938,539 1.276,540 1,541 0.567,542 0.495,543 0.451,544 0.367,545 13920,546 48335,547 2.004,548 41.8,549 4,550 13,552 2,553 2,554 2,558 1.747,559 1.873,560 3.647,561 0.208,567 93.894,568 1.707,569 3.721,570 4.777,571 5.418,572 5.454,573 5.454,574 3.082,575 4.289,576 4.968,577 3.827,578 1898.39,579 8.707,580 28629.5,585 317.975,586 1.501,587 4.922,588 0.206,589 0.007,590 0.082,591 0.042,592 0.03,593 0.022,594 0.013,595 0.012,596 0.011,597 0.01,598 0.435,599 0.17,600 0.88,601 1.356,602 169.71,603 0.034,604 -0.034,605 0.122,606 -0.02,607 -0.12,608 0.043,609 0.252,610 0.016,611 -0.002,612 -0.014,613 0.256,614 -0.074,615 -0.093,616 -0.101,617 -0.101,618 -0.072,619 -0.061,620 -0.057,621 -0.177,622 0.002,623 -0.106,624 0.006,625 -0.149,626 -0.038,627 -0.08,628 -0.068,629 0.02,630 -0.012,631 -0.069,632 -0.049,633 0.094,634 -0.014,635 0.058,636 -0.033,637 0.044,638 -0.027,639 0.018,640 -0.133,641 0.007,642 -0.09,643 0.011,644 -0.071,645 -0.001,646 0.05,647 0.068,648 0.021,649 0.045,650 0.062,651 4.592,652 5.565,653 0.563,654 36.375,655 1.012,656 1.114,657 3.079,658 9.482,659 0.704,660 3.555,661 3.85,662 4.025,663 4.205,664 4.419,665 4.431,666 4.489,667 4.543,668 4.605,669 4.615,670 7.634,671 0.667,672 471.01,673 3.555,674 5.081,675 5.894,676 6.751,677 7.587,678 8.45,679 9.296,680 10.163,681 11.015,682 11.883,683 3.6,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 55,726 22,727 2,728 34,730 57,731 24,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 3,753 20,754 4,756 4,760 1,761 3,763 1,765 2,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 4,847 1,861 1,862 7.3,864 1,865 3,869 17.083,870 9.543,871 7.097,872 3.15,874 3.016,875 1.416,876 0.963,877 8.318,878 10.272,879 3.871,880 4.46,881 4.922,882 5.412,883 5.935,884 6.075,885 6.351,886 6.553,887 6.842,888 7.081,889 0.889,890 46,891 12.053,893 5.302,894 8.037,895 22.17,897 17.984,899 2.537,900 81.194,904 247.193,905 156.554,906 33.191,907 39.149,908 112.141,910 5.807,911 150.746,912 398.483,913 33.191,915 9.709,916 126.451,917 153.379,918 35.888,920 223.651,921 39.149,922 247.193,923 183.937,924 112.141,925 44.956,927 247.193,928 112.141,931 44.209,932 113.466,933 71.218,935 247.193,936 145.332,937 195.702,939 5.807,940 247.193,941 28.413,942 122.334,943 16.405,944 168.075,945 247.193,946 145.332,947 195.702,949 0.575,950 0.312,951 0.156,952 0.089,953 19,954 9,955 0.175,956 10,958 1,959 4.289,960 274.581,962 18,963 154,967 1,968 23.837,969 11.167,970 7.104,972 145.332,973 20.763,974 4.182,978 3.209,980 59.088,981 588.227,982 47,986 -3.675,987 35.937,989 1.997,991 0.099,994 55.633,995 61.265,996 0.295,997 0.644,998 0.826,999 0.937,1000 0.943,1001 0.943,1002 5.085,1003 1.572,1004 5.889,1005 4.721,1006 4.533,1007 5.147,1008 2.313,1009 6.683,1010 4.458,1011 6.309,1012 1.4,1013 7.446,1014 3.757,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.638,1021 1.202,1022 9.124,1023 2.947,1024 6.151,1025 7.402,1026 3.632,1027 10.844,1028 5.987,1029 9.011,1030 1,1031 10.881,1032 2.65,1033 6.661,1034 8.196,1035 4.112,1036 12.886,1037 6.375,1038 10.423,1039 1,1040 12.693,1041 2.275,1042 8.115,1043 10.013,1044 5.202,1045 15.507,1046 7.831,1047 11.863,1048 0.806,1049 14.545,1050 2.136,1051 9.004,1052 11.191,1053 5.889,1054 17.852,1055 8.6,1056 13.327,1057 0.604,1058 16.427,1059 1.928,1060 10.28,1061 12.827,1062 6.849,1063 20.378,1064 9.85,1065 3.376,1066 0.122,1067 18.331,1068 1.446,1069 11.34,1070 14.19,1071 7.625,1072 22.824,1073 10.802,1074 3.026,1075 12.407,1076 20.251,1077 0.278,1078 12.555,1079 15.756,1080 8.526,1081 25.33,1082 11.966,1083 2.513,1084 10.223,1085 22.183,1086 4.697,1087 13.692,1088 17.208,1089 9.342,1090 27.813,1091 13.004,1092 2.394,1093 7.302,1094 24.126,1095 3.985,1096 14.889,1097 18.75,1098 10.216,1099 30.317,1100 14.134,1101 2.232,1102 6.321,1103 26.076,1104 3.475,1105 16.06,1106 20.246,1107 11.051,1108 32.815,1109 15.212,1110 2.059,1111 5.849,1112 28.032,1113 3.391,1114 17.255,1115 21.782,1116 11.912,1117 35.321,1118 16.329,1119 1.651,1120 5.183,1121 29.993,1122 2.843,1123 18.443,1124 23.3,1125 12.755,1126 37.827,1127 17.425,1128 13729,1129 25774,1130 22.246,1131 38.71,1132 50.303,1133 51.761,1134 50.919,1135 50.203,1136 49.916,1137 67.89,1138 5.725,1139 138.844,1140 48.028,1141 5.72,1142 6.684,1143 7.095,1144 5.343,1145 5.376,1146 7.697,1147 3.925,1148 19.574,1149 5.07,1150 17.312,1151 1.479,1152 1.522,1153 1.498,1154 1.477,1155 1.468,1156 1.997,1157 0.168,1158 4.084,1159 1.413,1160 4.09,1161 4.083,1162 4.736,1163 4.073,1164 7.717,1165 4,1166 3.981,1167 3.991,1168 3.949,1169 3.94,1170 7.474,1171 3.919,1172 3.81,1173 3.847,1174 3.925,1175 3.727,1176 6.999,1177 3.725,1178 3.697,1179 3.741,1180 3.737,1181 3.57,1182 6.351,1183 3.548,1184 3.629,1185 3.622,1186 3.579,1187 3.543,1188 4.937,1189 3.487,1190 3.389,1191 3.412,1192 3.31,1193 3.235,1194 4.913,1195 3.241,1196 3.132,1197 3.173,1198 3.169,1199 2.976,1200 4.721,1201 2.964,1202 3.013,1203 3.057,1204 3.003,1205 2.831,1206 4.267,1207 2.838,1208 0.143,1209 0.138,1210 0.215,1211 0.126,1212 0.099,1213 4.845,1214 0.138,1215 4.684,1216 0.069,1217 7.293,1218 0.365,1219 4.294,1220 0.09,1221 3.376,1222 4.697,1223 2.341,1224 12.407,1225 3.07,1226 1.995,1227 1.985,1228 2.086,1229 2.069,1230 1.292,1231 2.09,1232 1.942,1233 1.941,1234 1.957,1235 2.004,1236 1.199,1237 2.036,1238 1.801,1239 1.766,1240 1.935,1241 1.907,1242 1.131,1243 1.918,1244 1.679,1245 1.63,1246 1.888,1247 1.855,1248 0.978,1249 1.868,1250 1.481,1251 1.497,1252 1.563,1253 1.649,1254 0.748,1255 1.678,1256 1.327,1257 1.301,1258 1.479,1259 1.529,1260 0.65,1261 1.523,1262 1.088,1263 1.05,1264 1.218,1265 1.27,1266 0.428,1267 1.302,1268 0.972,1269 0.93,1270 1.181,1271 1.195,1272 0.334,1273 1.202,1274 4.234,1276 5.533,1278 7.02,1280 8.591,1282 10.206,1285 5.839,1289 8.877,1290 1.352,1291 2.614,1300 36.711,1301 93.894,1302 204.65,1303 262.756,1304 297.975,1305 299.975,1306 299.975,1307 85.02,1308 7.256,1309 96.36,1310 104.74,1311 18,1312 12.431,1313 4.524,1314 3.807,1315 61.051,1316 144,1317 154,1318 0.201,1319 235.642,1320 415.82,1321 566.728,1322 13700,1323 1.8,1324 22.976,1325 0.718,1326 0.588,1327 23.726,1328 18.812,1329 15.348,1330 0.451,1331 0.349,1332 10.086,1333 13.855,1334 9.712,1335 8.06,1336 16.458,1337 11.88,1338 14.017,1339 0.305,1340 0.203,1341 15.749,1342 9.328,1343 10.571,1344 0.192,1345 0.117,1346 11.951,1347 6.413,1348 8.157,1349 0.124,1350 0.065,1351 9.188,1352 4.292,1353 6.637,1354 0.081,1355 0.038,1356 7.707,1357 3.141,1358 0.319,1359 106.557,1360 0.212,1361 30.19,1362 0.541,1363 160,1364 514.398,1365 223.911,1366 550.381,1367 718.08,1368 504,1369 181,1370 456.182,1371 244.141,1372 510.589,1373 731.96,1374 478,1375 8.301} {0 CHEMBL127738,1 1.714,2 14.784,3 5.058,4 25.578,5 141.862,6 8.486,7 0.462,8 4.24,9 4.325,10 4.01,11 3.842,12 5.415,13 3.801,14 4.755,15 4.889,16 4.322,17 4.218,18 6.15,19 4.149,20 5.042,21 5.214,22 4.379,23 4.393,24 6.203,25 4.284,26 5.14,27 5.324,28 4.372,29 4.393,30 6.311,31 4.297,32 5.169,33 5.351,34 4.428,35 4.412,36 6.554,37 4.325,38 5.184,39 5.387,40 4.39,41 4.441,42 6.372,43 4.335,44 5.182,45 5.401,46 4.282,47 4.391,48 6.335,49 4.283,50 5.089,51 5.296,52 4.198,53 4.257,54 6.318,55 4.162,56 0.165,57 0.862,58 13.454,59 6.398,60 31.819,61 7.082,62 0.597,63 1.382,64 22.263,65 10.352,66 99.883,67 12.293,68 0.679,69 1.761,70 41.96,71 15.461,72 104.029,73 17.447,74 0.81,75 1.877,76 45.657,77 16.103,78 148.465,79 18.289,80 1.127,81 1.906,82 43.145,83 15.644,84 219.364,85 18.379,86 0.795,87 1.97,88 43.471,89 16.467,90 113.365,91 20.427,92 0.654,93 1.92,94 42.992,95 16.635,96 104.627,97 20.956,98 0.736,99 1.662,100 41.911,101 14.691,102 117.38,103 17.984,104 61,105 53,106 0.271,107 0.595,108 0.763,109 0.863,110 0.875,111 0.875,112 3.642,113 1.029,114 -4.15,115 -4.09,116 -3.87,118 42.2,120 4,124 2,133 1,134 1,140 10,141 3,142 2,143 2,154 2,163 2,167 2,168 17,169 1,171 3,172 4,173 1,175 2,177 1,180 22,181 1,185 1,186 10,189 1,191 1,194 22,195 1,198 13,199 2,203 1,206 16,207 2,209 2,210 9,213 2,215 2,218 17,219 4,222 15,227 4,229 16,230 6,234 13,239 6,242 13,243 5,247 10,248 1,252 5,255 12,256 5,258 1,259 9,262 1,264 5,267 8,268 2,270 2732,271 24.308,272 24.308,273 24.308,274 24.308,275 24.308,276 21.244,277 17.843,278 14.624,279 24.717,280 19.246,281 19.246,282 19.246,283 19.246,284 19.246,285 14.654,286 12.792,287 6.959,288 19.972,289 4.286,290 2.236,291 1.179,292 0.543,293 0.469,294 0.469,295 4.32,297 1,300 1,301 1131,302 5.244,306 462.177,313 2.053,314 58.802,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 81.333,326 547,327 4.932,328 4.727,329 7.667,330 4.435,331 3.512,332 4.759,333 2.375,334 13.621,335 3.214,336 4.38,337 3.615,338 6.5,339 4.014,340 3.016,341 3.968,342 2.341,343 10.18,344 3.011,345 3.912,346 3.596,347 5.635,348 3.525,349 2.536,350 3.471,351 0.458,352 7.189,353 2.515,354 3.857,355 3.04,356 5.407,357 3.392,358 2.451,359 3.411,361 6.882,362 2.287,363 3.575,364 2.904,365 5.133,366 3.237,367 2.237,368 2.923,370 6.134,371 2.219,372 3.553,373 2.727,374 5.023,375 3.19,376 2.232,377 2.736,379 5.944,380 2.094,381 3.525,382 2.416,383 4.659,384 3.108,385 2.118,386 2.709,388 5.184,389 2.091,390 3.14,391 2.164,392 4.63,393 2.728,394 1.787,395 2.336,397 4.768,398 1.641,399 3.046,400 1.903,401 4.158,402 2.608,403 1.62,404 2.224,406 3.829,407 1.565,408 2.724,409 1.539,410 4.071,411 2.381,412 1.401,413 1.753,415 3.477,416 1.367,417 2.672,418 1.478,419 3.564,420 2.255,421 1.297,422 1.633,424 2.946,425 1.218,426 2.5,427 1.134,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.315,447 1.957,448 1,449 1.5,451 2.136,452 0.954,453 2.234,454 1,455 3.247,456 1.866,457 0.873,458 1.119,460 2.072,461 0.863,462 17.848,463 0.482,464 1.009,465 0.027,466 47.75,467 1.291,468 25.5,469 0.689,470 22.25,471 0.601,472 33.107,473 0.895,474 40.352,475 0.631,476 43.2,477 1.168,478 9.512,479 0.257,480 8.151,481 0.22,482 0.152,483 0.047,484 0.247,487 0.634,488 1.237,489 0.724,490 1.114,491 0.7,492 0.922,493 0.481,494 1.068,495 0.757,496 0.941,497 0.448,498 0.987,499 0.883,500 1.073,501 1.211,502 1.171,503 0.88,504 1.063,505 1.063,506 1.076,507 1.074,508 1.116,509 1.154,510 1.054,511 0.911,512 0.986,513 0.754,514 0.878,515 0.956,516 0.991,517 0.674,518 1.036,519 0.808,520 1.025,521 0.679,522 1.061,523 0.757,524 1.021,525 0.745,526 0.963,527 0.753,528 1.003,529 1.056,530 1.017,531 0.964,532 0.97,533 1.004,534 1.036,535 8.5,536 0.334,537 4.667,538 2.563,539 1.836,540 1.139,541 0.931,542 0.707,543 0.468,544 0.339,545 20833,546 74611,547 1.973,548 42.2,549 4,550 15,552 2,553 2,554 2,555 2,558 1.782,559 1.827,560 3.789,561 0.189,567 109.726,568 1.714,569 3.764,570 4.821,571 5.457,572 5.531,573 5.531,574 3.167,575 4.649,576 5.18,577 4.011,578 2671.32,579 9.122,580 45535.8,585 384,586 1.571,587 5.121,588 0.218,589 0.01,590 0.088,591 0.047,592 0.034,593 0.02,594 0.017,595 0.014,596 0.01,597 0.009,598 0.466,599 0.33,600 0.75,601 1.473,602 206.357,603 0.003,604 -0.086,605 0.11,606 -0.024,607 -0.104,608 0.031,609 0.245,610 0.045,611 0.048,612 0.039,613 0.242,614 -0.043,615 -0.064,616 -0.018,617 -0.131,618 -0.05,619 -0.063,620 -0.053,621 -0.134,622 -0.063,623 -0.101,624 -0.077,625 -0.157,626 -0.062,627 0.06,628 0.01,629 0.025,630 0.05,631 0.08,632 -0.032,633 0.057,634 -0.044,635 0.028,636 -0.076,637 0.038,638 -0.055,639 -0.007,640 -0.067,641 0.054,642 -0.033,643 0.008,644 0.014,645 -0.103,646 -0.095,647 -0.04,648 -0.063,649 -0.073,650 -0.041,651 4.94,652 6.037,653 0.486,654 45.572,655 1.016,656 1.117,657 2.919,658 8.519,659 0.69,660 3.689,661 3.989,662 4.174,663 4.357,664 4.564,665 4.575,666 4.654,667 4.691,668 4.745,669 4.796,670 8.675,671 0.659,672 543.08,673 3.689,674 5.22,675 6.038,676 6.899,677 7.743,678 8.61,679 9.467,680 10.338,681 11.202,682 12.076,683 3.1,686 1,693 1,699 12,700 1,704 5,706 18,723 1,724 64,726 23,727 2,728 39,730 66,731 27,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 21,754 6,756 5,760 1,761 4,763 1,765 3,772 27,773 8,774 2,775 10,776 2,779 2,784 1,785 6,795 1,802 3,818 2,822 1,823 1,830 2,832 3,834 1,837 1,840 37,844 1,845 2,846 6,851 1,861 1,862 9.4,864 2,865 4,869 20.25,870 11.11,871 8.222,872 3.683,874 2.835,875 1.379,876 0.936,877 10.272,878 10.311,879 3.989,880 4.559,881 5.006,882 5.476,883 5.987,884 6.127,885 6.412,886 6.593,887 6.85,888 7.114,889 0.9,890 55,891 14.059,893 6.298,894 8.158,895 25.439,897 20.608,899 2.658,900 98.361,904 294.278,905 162.104,906 18.304,907 39.149,908 179.969,910 5.807,911 156.296,912 513.396,913 18.304,915 14.35,916 110.046,917 222.117,918 37.407,920 270.735,921 39.149,922 294.278,923 174.601,924 179.969,925 44.956,927 270.735,928 203.512,931 33.963,932 114.376,933 71.218,935 294.278,936 198.274,937 201.253,939 5.807,940 294.278,941 33.963,942 123.852,944 235.904,945 294.278,946 198.274,947 201.253,949 0.576,950 0.313,951 0.16,952 0.093,953 21,954 11,955 0.197,956 13,958 1,959 4.639,960 334.448,962 18,963 182.75,967 1,968 28.39,969 13.387,970 8.427,972 198.274,973 20.299,974 4.178,978 2.991,980 85.367,981 693.804,982 53,986 -4.024,987 48.293,989 1.988,991 -1.166,994 65.054,995 71.515,996 0.286,997 0.627,998 0.803,999 0.909,1000 0.922,1001 0.922,1002 5.212,1003 1.787,1004 6.038,1005 5.184,1006 4.673,1007 5.247,1008 2.944,1009 6.849,1010 4.6,1011 6.433,1012 1.62,1013 7.608,1014 4.768,1015 4.369,1016 5.207,1017 2.882,1018 8.044,1019 4.198,1020 7.759,1021 1.401,1022 9.303,1023 3.829,1024 6.297,1025 7.472,1026 4.345,1027 11.105,1028 6.135,1029 9.129,1030 1.297,1031 11.083,1032 3.477,1033 6.836,1034 8.276,1035 4.828,1036 13.237,1037 6.557,1038 10.539,1039 1,1040 12.924,1041 2.946,1042 8.288,1043 10.076,1044 5.938,1045 15.942,1046 8,1047 11.981,1048 1,1049 14.81,1050 2.275,1051 9.216,1052 11.27,1053 6.631,1054 18.393,1055 8.807,1056 13.449,1057 1,1058 16.732,1059 2.275,1060 10.506,1061 12.903,1062 7.601,1063 21.017,1064 10.059,1065 3.512,1066 0.873,1067 18.679,1068 2.136,1069 11.61,1070 14.284,1071 8.384,1072 23.57,1073 11.05,1074 3.016,1075 13.621,1076 20.647,1077 2.072,1078 12.852,1079 15.856,1080 9.294,1081 26.178,1082 12.229,1083 2.536,1084 10.18,1085 22.63,1086 4.759,1087 14.034,1088 17.326,1089 10.118,1090 28.766,1091 13.306,1092 2.451,1093 7.189,1094 24.624,1095 3.968,1096 15.268,1097 18.879,1098 10.999,1099 31.372,1100 14.46,1101 2.237,1102 6.882,1103 26.628,1104 3.471,1105 16.484,1106 20.393,1107 11.842,1108 33.973,1109 15.576,1110 2.232,1111 6.134,1112 28.638,1113 3.411,1114 17.721,1115 21.942,1116 12.711,1117 36.58,1118 16.723,1119 2.118,1120 5.944,1121 30.654,1122 2.923,1123 18.953,1124 23.476,1125 13.562,1126 39.186,1127 17.858,1128 20628,1129 39283,1130 25.137,1131 44.142,1132 58.012,1133 59.556,1134 59.097,1135 57.791,1136 57.468,1137 76.547,1138 10.347,1139 160.911,1140 55.354,1141 5.835,1142 6.727,1143 7.469,1144 5.487,1145 5.512,1146 7.759,1147 3.987,1148 21.612,1149 5.214,1150 22.509,1151 1.487,1152 1.527,1153 1.515,1154 1.482,1155 1.474,1156 1.963,1157 0.265,1158 4.126,1159 1.419,1160 4.1,1161 4.09,1162 4.742,1163 4.08,1164 7.715,1165 4.003,1166 3.993,1167 4.006,1168 3.955,1169 3.95,1170 7.476,1171 3.932,1172 3.82,1173 3.859,1174 3.925,1175 3.738,1176 7.472,1177 3.736,1178 3.706,1179 3.745,1180 3.747,1181 3.606,1182 6.999,1183 3.569,1184 3.689,1185 3.717,1186 3.58,1187 3.55,1188 6.352,1189 3.541,1190 3.437,1191 3.445,1192 3.47,1193 3.3,1194 6.35,1195 3.284,1196 3.415,1197 3.398,1198 3.329,1199 3.203,1200 4.937,1201 3.215,1202 3.259,1203 3.3,1204 3.169,1205 3.069,1206 4.913,1207 3.072,1208 0.126,1209 0.121,1210 0.197,1211 0.114,1212 0.09,1213 4.932,1214 0.122,1215 4.727,1216 0.061,1217 7.667,1218 0.349,1219 4.435,1220 0.082,1221 3.512,1222 4.759,1223 2.375,1224 13.621,1225 3.214,1226 1.995,1227 1.984,1228 2.094,1229 2.071,1230 1.31,1231 2.093,1232 1.954,1233 1.954,1234 1.967,1235 2.021,1236 1.257,1237 2.05,1238 1.813,1239 1.779,1240 1.946,1241 1.922,1242 1.156,1243 1.934,1244 1.681,1245 1.632,1246 1.889,1247 1.856,1248 1.035,1249 1.868,1250 1.61,1251 1.589,1252 1.745,1253 1.794,1254 0.912,1255 1.796,1256 1.368,1257 1.34,1258 1.555,1259 1.569,1260 0.745,1261 1.562,1262 1.236,1263 1.261,1264 1.477,1265 1.494,1266 0.646,1267 1.479,1268 1.212,1269 1.171,1270 1.192,1271 1.39,1272 0.426,1273 1.427,1274 4.369,1276 5.673,1278 7.163,1280 8.74,1282 10.368,1285 5.855,1289 18.187,1290 0.82,1295 0.94,1300 42.195,1301 109.726,1302 240.901,1303 308.516,1304 349.245,1305 354,1306 354,1307 125.331,1308 7.476,1309 124.87,1310 133.25,1311 18,1312 12.618,1313 4.585,1314 3.907,1315 77.061,1316 196,1317 188,1318 0.19,1319 269.485,1320 482.66,1321 649.302,1322 17822,1323 1.6,1324 26.838,1325 0.725,1326 0.582,1327 27.588,1328 21.529,1329 17.663,1330 0.453,1331 0.343,1332 11.583,1333 15.998,1334 11.195,1335 9.255,1336 18.74,1337 13.376,1338 16.203,1339 0.306,1340 0.201,1341 17.93,1342 10.653,1343 12.121,1344 0.189,1345 0.12,1346 13.737,1347 7.705,1348 9.393,1349 0.122,1350 0.068,1351 10.679,1352 5.236,1353 7.661,1354 0.081,1355 0.04,1356 8.956,1357 3.757,1358 0.305,1359 121.401,1360 0.199,1361 34.102,1362 0.504,1363 184,1364 629.596,1365 256.373,1366 654.272,1367 845.46,1368 598,1369 209,1370 536.342,1371 280.358,1372 589.841,1373 847.89,1374 552,1375 6.509} {0 CHEMBL128022,1 1.734,2 12.226,3 4.802,4 23.058,5 122.524,6 8.788,7 0.545,8 4.04,9 4.123,10 3.868,11 3.685,12 5.204,13 3.637,14 4.534,15 4.653,16 4.149,17 4.049,18 5.951,19 3.978,20 4.808,21 4.982,22 4.191,23 4.184,24 5.984,25 4.078,26 4.829,27 5.008,28 4.136,29 4.151,30 6.048,31 4.052,32 4.838,33 5.013,34 4.186,35 4.169,36 6.048,37 4.081,38 4.875,39 5.069,40 4.198,41 4.203,42 6.07,43 4.102,44 4.886,45 5.102,46 4.076,47 4.184,48 5.947,49 4.056,50 4.862,51 5.077,52 4.128,53 4.095,54 6.056,55 3.989,56 0.126,57 0.7,58 10.585,59 5.06,60 22.956,61 5.477,62 0.412,63 1.099,64 16.844,65 8.297,66 74.63,67 9.645,68 0.431,69 1.394,70 30.368,71 11.811,72 71.629,73 13.386,74 0.485,75 1.426,76 33.001,77 12.113,78 78.037,79 13.419,80 0.517,81 1.426,82 30.505,83 11.489,84 90.431,85 12.835,86 0.547,87 1.498,88 30.096,89 11.904,90 79.729,91 14.591,92 0.404,93 1.548,94 31.065,95 12.484,96 57.852,97 15.58,98 0.436,99 1.48,100 35.117,101 12.618,102 64.35,103 14.895,104 31,105 45,106 0.286,107 0.607,108 0.771,109 0.883,110 0.889,111 0.889,112 3.472,113 1.038,114 -4.37,115 -4.3,116 -4.06,118 44.2,120 3,133 1,134 1,140 10,141 2,142 3,143 2,154 1,163 1,167 1,168 14,169 1,171 1,172 3,175 3,177 3,180 18,181 1,186 7,191 5,194 18,195 1,198 11,203 5,206 13,207 1,210 8,215 3,218 16,219 1,222 9,227 4,229 16,230 2,234 8,237 1,239 4,242 12,243 3,247 7,248 1,252 4,255 11,256 2,258 3,259 6,262 1,264 2,265 1,267 10,268 1,270 1794,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 17.628,277 13.206,278 12.384,279 20.885,280 16.32,281 16.32,282 16.32,283 16.32,284 16.32,285 12.034,286 7.818,287 5.923,288 16.997,289 3.967,290 2.016,291 1.023,292 0.346,293 0.308,294 0.308,295 4.151,297 1,299 1,300 1,301 789,302 4.416,306 348.193,313 1.796,314 42.102,317 1,318 0.83,319 0.83,320 0.6,322 1,323 1,324 0.75,325 67.333,326 379,327 4.856,328 4.686,329 7.308,330 4.313,331 3.393,332 4.707,333 2.341,334 12.509,335 3.101,336 4.386,337 3.596,338 6.507,339 4.017,340 3.02,341 3.98,343 10.22,344 3,345 3.904,346 3.047,347 5.507,348 3.462,349 2.491,350 3.476,352 7.296,353 2.422,354 3.815,355 2.899,356 5.174,357 3.292,358 2.369,359 3.375,361 6.324,362 2.219,363 3.552,364 2.577,365 5.014,366 3.237,367 2.232,368 2.823,370 5.805,371 2.152,372 3.459,373 2.121,374 4.66,375 2.997,376 2.027,377 2.708,379 5.183,380 1.954,381 3.083,382 1.893,383 4.62,384 2.604,385 1.635,386 2.293,388 4.573,389 1.573,390 2.973,391 1.702,392 4.111,393 2.488,394 1.519,395 2.138,397 3.717,398 1.413,399 2.726,400 1.467,401 3.564,402 2.373,403 1.395,404 1.783,406 2.946,407 1.356,408 2.637,409 1.206,410 3.499,411 2.177,412 1.183,413 1.671,415 2.617,416 1.174,417 2.5,418 1.101,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.265,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.204,436 1,437 3.247,438 1.802,439 0.805,440 1.062,442 1.923,443 0.799,444 1.296,445 0.658,446 3.162,447 1.123,448 0.122,449 0.136,451 0.279,452 0.121,453 1.195,454 0.583,455 2.638,456 0.858,457 -0.086,458 -0.104,460 -0.231,461 -0.073,462 15.181,463 0.49,464 0.824,465 0.027,466 43,467 1.387,468 24.5,469 0.79,470 18.5,471 0.597,472 24.048,473 0.776,474 32.819,475 0.631,476 35.311,477 1.139,478 8.438,479 0.272,480 6.411,481 0.207,482 0.135,483 0.055,484 0.231,487 0.583,488 1.142,489 0.707,490 1.066,491 0.692,492 0.863,493 0.471,494 1.113,495 0.786,496 0.996,497 0.47,498 1.01,499 0.957,500 1.042,501 1.032,502 1.017,503 0.916,504 1.007,505 1.064,506 1.059,507 1.087,508 1.084,509 1.036,510 1.011,511 1.086,512 1.002,513 0.743,514 0.866,515 1.178,516 0.966,517 0.598,518 1.05,519 0.752,520 0.984,521 0.621,522 1.044,523 0.624,524 1.02,525 0.796,526 0.975,527 0.587,528 1.051,529 0.841,530 1.052,531 0.865,532 1.051,533 0.782,534 0.932,535 7,536 0.173,537 3.556,538 2.188,539 1.356,540 0.931,541 0.565,542 0.644,543 0.464,544 0.309,545 12303,546 43764,547 2.004,548 40.4,549 4,550 11,552 2,553 2,554 2,558 1.741,559 1.869,560 3.547,561 0.225,567 90.142,568 1.734,569 3.684,570 4.677,571 5.354,572 5.393,573 5.393,574 3.039,575 4.503,576 4.921,577 3.727,578 1732.92,579 8.624,580 25112.7,585 296.423,586 1.525,587 4.873,588 0.212,589 0.006,590 0.079,591 0.049,592 0.031,593 0.021,594 0.013,595 0.016,596 0.011,597 0.009,598 0.445,599 0.17,600 1,601 1.383,602 161.608,603 0.03,604 -0.035,605 0.121,606 -0.023,607 -0.127,608 0.045,609 0.269,610 -0.053,612 -0.043,613 0.262,614 -0.097,615 -0.114,616 -0.037,617 -0.059,618 -0.001,619 -0.076,620 -0.022,621 -0.139,622 -0.045,623 -0.113,624 -0.051,625 -0.074,626 -0.029,627 -0.154,628 -0.002,629 0.016,630 0.06,631 -0.16,632 -0.017,633 0.11,634 -0.056,635 0.049,636 -0.074,637 0.059,638 -0.062,639 0.012,640 -0.02,641 0.014,642 -0.039,643 0.003,644 -0.042,645 0.003,646 -0.051,647 0.097,648 -0.019,649 0.065,650 0.092,651 4.69,652 5.704,653 0.581,654 33.471,655 1.014,656 1.113,657 3.14,658 9.858,659 0.711,660 3.526,661 3.829,662 4.007,663 4.22,664 4.419,665 4.454,666 4.522,667 4.625,668 4.625,669 4.663,670 7.176,671 0.677,672 456.98,673 3.526,674 5.056,675 5.872,676 6.737,677 7.576,678 8.449,679 9.298,680 10.176,681 11.031,682 11.912,683 3.8,688 1,693 1,699 12,700 1,704 5,706 18,723 1,724 52,726 22,727 2,728 33,730 54,731 23,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 3,753 20,754 3,756 4,760 1,761 3,763 1,765 2,772 21,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 3,847 1,861 1,862 7.7,864 1,865 3,869 16.583,870 9.043,871 6.847,872 2.962,874 3.047,875 1.423,876 0.967,877 7.721,878 10.254,879 3.85,880 4.449,881 4.914,882 5.443,883 5.959,884 6.135,885 6.444,886 6.722,887 6.969,888 7.268,889 1,890 45,891 11.695,893 5.193,894 8.071,895 21.354,897 17.325,899 2.571,900 79.694,903 1,904 223.651,905 154.019,906 33.191,907 39.149,908 112.141,910 5.807,911 148.212,912 374.941,913 33.191,915 7.604,916 110.046,917 169.784,918 35.46,920 200.109,921 39.149,922 223.651,923 181.402,924 112.141,925 44.956,927 223.651,928 112.141,931 25.698,932 113.037,933 87.623,935 223.651,936 145.332,937 193.168,939 5.807,940 223.651,941 25.878,942 122.334,943 16.405,944 168.075,945 223.651,946 145.332,947 193.168,949 0.576,950 0.312,951 0.161,952 0.09,953 19,954 9,955 0.167,956 9,958 1,959 4.162,960 266.965,962 18,963 145.58,967 1,968 22.858,969 10.472,970 6.58,972 145.332,973 20.067,974 4.159,978 2.622,980 59.088,981 562.151,982 46,986 -3.773,987 36.203,989 1.951,991 0.015,994 52.749,995 57.85,996 0.304,997 0.646,998 0.82,999 0.939,1000 0.946,1001 0.946,1002 5.066,1003 1.519,1004 5.872,1005 4.573,1006 4.511,1007 5.136,1008 2.258,1009 6.678,1010 4.432,1011 6.297,1012 1.395,1013 7.434,1014 3.717,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.014,1020 7.629,1021 1.183,1022 9.117,1023 2.946,1024 6.138,1025 7.399,1026 3.628,1027 10.864,1028 5.965,1029 9.005,1030 1,1031 10.878,1032 2.617,1033 6.661,1034 8.196,1035 4.112,1036 12.905,1037 6.362,1038 10.419,1039 1,1040 12.695,1041 2.275,1042 8.113,1043 10.014,1044 5.201,1045 15.544,1046 7.816,1047 11.862,1048 0.805,1049 14.55,1050 2.136,1051 9.012,1052 11.196,1053 5.889,1054 17.893,1055 8.595,1056 13.328,1057 0.122,1058 16.435,1059 1.923,1060 10.29,1061 12.833,1062 6.849,1063 20.432,1064 9.847,1065 3.393,1066 -0.086,1067 18.342,1068 0.279,1069 11.36,1070 14.2,1071 7.625,1072 22.885,1073 10.808,1074 3.02,1075 12.509,1076 20.264,1077 -0.231,1078 12.578,1079 15.768,1080 8.526,1081 25.401,1082 11.976,1083 2.491,1084 10.22,1085 22.2,1086 4.707,1087 13.723,1088 17.224,1089 9.342,1090 27.893,1091 13.023,1092 2.369,1093 7.296,1094 24.145,1095 3.98,1096 14.926,1097 18.768,1098 10.216,1099 30.406,1100 14.158,1101 2.232,1102 6.324,1103 26.097,1104 3.476,1105 16.104,1106 20.267,1107 11.051,1108 32.913,1109 15.243,1110 2.027,1111 5.805,1112 28.055,1113 3.375,1114 17.305,1115 21.805,1116 11.912,1117 35.429,1118 16.366,1119 1.635,1120 5.183,1121 30.018,1122 2.823,1123 18.499,1124 23.326,1125 12.755,1126 37.943,1127 17.47,1128 12166,1129 23128,1130 21.553,1131 36.949,1132 48.949,1133 50.407,1134 49.745,1135 48.698,1136 48.381,1137 66.305,1138 4.682,1139 135.605,1140 46.476,1141 5.693,1142 6.686,1143 7.11,1144 5.366,1145 5.393,1146 7.707,1147 3.925,1148 19.86,1149 5.101,1150 16.793,1151 1.483,1152 1.527,1153 1.507,1154 1.476,1155 1.466,1156 2.009,1157 0.142,1158 4.109,1159 1.408,1160 4.1,1161 4.091,1162 4.737,1163 4.082,1164 7.717,1165 4.01,1166 3.961,1167 3.974,1168 3.936,1169 3.918,1170 7.474,1171 3.898,1172 3.796,1173 3.832,1174 3.925,1175 3.713,1176 6.999,1177 3.711,1178 3.697,1179 3.741,1180 3.716,1181 3.561,1182 6.351,1183 3.547,1184 3.594,1185 3.57,1186 3.577,1187 3.526,1188 4.938,1189 3.454,1190 3.376,1191 3.4,1192 3.295,1193 3.216,1194 4.912,1195 3.223,1196 3.037,1197 3.072,1198 3.16,1199 2.84,1200 4.73,1201 2.853,1202 2.868,1203 2.925,1204 2.917,1205 2.744,1206 4.265,1207 2.733,1208 0.147,1209 0.142,1210 0.221,1211 0.131,1212 0.103,1213 4.856,1214 0.143,1215 4.686,1216 0.071,1217 7.308,1218 0.379,1219 4.313,1220 0.094,1221 3.393,1222 4.707,1223 2.341,1224 12.509,1225 3.101,1226 1.997,1227 1.993,1228 2.073,1229 2.071,1230 1.284,1231 2.093,1232 1.93,1233 1.922,1234 1.955,1235 1.995,1236 1.175,1237 2.022,1238 1.783,1239 1.749,1240 1.914,1241 1.89,1242 1.103,1243 1.899,1244 1.677,1245 1.629,1246 1.887,1247 1.855,1248 0.941,1249 1.868,1250 1.425,1251 1.46,1252 1.529,1253 1.579,1254 0.678,1255 1.61,1256 1.312,1257 1.286,1258 1.234,1259 1.51,1260 0.554,1261 1.512,1262 0.979,1263 0.941,1264 1.212,1265 1.211,1266 0.344,1267 1.209,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.205,1276 5.509,1278 7.002,1280 8.581,1282 10.205,1285 5.846,1289 8.863,1290 1.15,1291 2.592,1300 35.185,1301 90.142,1302 191.588,1303 243.204,1304 278.423,1305 280.423,1306 280.423,1307 81.25,1308 7.207,1309 96.36,1310 104.74,1311 18,1312 12.453,1313 4.524,1314 3.807,1315 57.966,1316 130,1317 141,1318 0.212,1319 226.05,1320 398.52,1321 543.322,1322 12414,1323 1.9,1324 22.269,1325 0.718,1326 0.584,1327 23.019,1328 18.105,1329 14.848,1330 0.45,1331 0.346,1332 9.632,1333 13.38,1334 9.275,1335 7.701,1336 15.958,1337 11.423,1338 13.682,1339 0.304,1340 0.198,1341 15.391,1342 8.905,1343 10.189,1344 0.189,1345 0.113,1346 11.582,1347 6.115,1348 8.21,1349 0.123,1350 0.062,1351 9.399,1352 4.178,1353 6.475,1354 0.079,1355 0.037,1356 7.591,1357 2.994,1358 0.332,1359 103.511,1360 0.215,1361 29.208,1362 0.581,1363 156,1364 510.398,1365 220.244,1366 546.864,1367 714.16,1368 500,1369 177,1370 456.745,1371 241.977,1372 510.963,1373 733.18,1374 478,1375 8.155} {0 CHEMBL128104,1 1.534,2 14.719,3 4.955,4 24.548,5 126.756,6 7.877,7 0.529,8 4.109,9 4.216,10 3.708,11 3.72,12 5.27,13 3.682,14 4.602,15 4.753,16 4.027,17 4.088,18 5.796,19 4.015,20 4.886,21 5.091,22 4.054,23 4.215,24 5.942,25 4.109,26 4.896,27 5.106,28 3.959,29 4.171,30 5.953,31 4.059,32 4.898,33 5.117,34 3.946,35 4.171,36 5.932,37 4.058,38 4.921,39 5.156,40 3.983,41 4.184,42 5.932,43 4.055,44 4.888,45 5.128,46 3.882,47 4.139,48 5.853,49 4.005,50 4.81,51 5.033,52 3.878,53 4.048,54 5.905,55 3.936,56 0.036,57 0.731,58 10.475,59 5.256,60 11.97,61 6.62,62 0.223,63 1.171,64 19.349,65 8.744,66 44.926,67 11.449,68 0.27,69 1.469,70 31.248,71 12.095,72 59.081,73 15.797,74 0.306,75 1.484,76 31.394,77 11.997,78 66.829,79 15.64,80 0.299,81 1.519,82 29.695,83 11.817,84 63.392,85 15.65,86 0.34,87 1.552,88 32.195,89 12.409,90 59.565,91 16.995,92 0.221,93 1.476,94 31.236,95 12.382,96 49.137,97 16.852,98 0.198,99 1.339,100 29.498,101 11.312,102 49.178,103 14.983,104 22,105 44,106 0.249,107 0.583,108 0.748,109 0.853,110 0.874,111 0.874,112 3.501,113 0.958,114 -5.15,115 -5.04,116 -4.72,118 45.6,120 4,124 1,133 1,134 1,140 10,141 4,142 1,143 2,154 2,163 1,167 1,168 19,169 1,172 4,175 2,177 3,180 24,181 1,186 5,191 4,194 22,195 1,198 6,203 5,206 18,207 1,210 5,215 3,218 18,219 1,222 7,227 3,229 18,230 2,234 6,239 3,242 15,243 3,247 5,248 1,252 5,255 13,256 3,258 1,259 4,262 1,264 5,267 9,268 1,270 2016,271 21.604,272 21.604,273 21.604,274 21.604,275 21.604,276 18.896,277 14.914,278 13.248,279 21.85,280 16.792,281 16.792,282 16.792,283 16.792,284 16.792,285 12.776,286 10.188,287 6.327,288 17.201,289 4.299,290 2.247,291 1.234,292 0.59,293 0.456,294 0.456,295 4.186,297 1,299 1,300 1,301 984,302 4.301,306 389.619,313 2.271,314 30.992,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 68.333,326 471,327 4.38,328 3.596,329 6.5,330 4.014,331 3.016,332 3.968,333 2.341,334 10.18,335 3.011,336 4.179,337 3.558,338 6.026,339 3.812,340 2.813,341 3.756,342 1.058,343 8.571,344 2.805,345 3.909,346 3.039,347 5.414,348 3.516,349 2.52,350 3.471,352 7.105,353 2.512,354 3.658,355 2.906,356 5.134,357 3.237,358 2.284,359 3.013,361 6.129,362 2.219,363 3.555,364 2.697,365 5.021,366 3.191,367 2.232,368 2.92,370 6.016,371 2.103,372 3.529,373 2.181,374 4.659,375 3.107,376 2.122,377 2.709,379 5.184,380 1.996,381 3.054,382 1.98,383 4.185,384 2.633,385 1.649,386 2.229,388 3.896,389 1.619,390 2.866,391 1.911,392 4.135,393 2.465,394 1.508,395 1.93,397 3.75,398 1.406,399 2.721,400 1.551,401 3.564,402 2.375,403 1.396,404 1.749,406 2.946,407 1.356,408 2.5,409 1.432,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1.128,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.355,429 1.98,430 1,431 1.5,433 2.224,434 0.966,435 2.27,436 1,437 3.247,438 1.955,439 0.978,440 1.188,442 2.136,443 0.951,444 2.157,445 1,446 3.222,447 1.81,448 0.813,449 1.028,451 1.893,452 0.804,453 1.375,454 0.691,455 2.657,456 1.192,457 0.194,458 0.215,460 0.433,461 0.191,462 15.514,463 0.485,464 0.647,465 0.02,466 41.5,467 1.297,468 22.5,469 0.703,470 19,471 0.594,472 25.964,473 0.811,474 33.686,475 0.591,476 32.444,477 1.014,478 8.387,479 0.262,480 7.138,481 0.223,482 0.11,484 0.258,487 0.691,488 1.092,489 0.677,490 0.92,491 0.64,492 0.89,493 0.507,494 1.097,495 0.784,496 1.017,497 0.458,498 1.035,499 0.899,500 1.01,501 0.965,502 0.992,503 0.887,504 1.005,505 0.998,506 1.078,507 0.988,508 1.048,509 1.049,510 1.075,511 0.902,512 1.045,513 0.81,514 0.961,515 0.945,516 1.023,517 0.513,518 1.024,519 0.759,520 1.024,521 0.516,522 1.039,523 0.622,524 0.996,525 0.789,526 1,527 0.642,528 1.008,529 0.831,530 1.105,531 0.902,532 1.103,533 0.81,534 1.053,535 5.5,536 0.219,537 3.333,538 1.563,539 0.996,540 0.66,541 0.565,542 0.488,543 0.263,544 0.208,545 15564,546 49022,547 2.03,548 43.9,549 4,550 13,552 2,553 2,554 2,555 2,558 1.742,559 1.92,560 3.802,561 0.146,567 87.412,568 1.534,569 3.586,570 4.599,571 5.243,572 5.377,573 5.377,574 3.243,575 4.328,576 4.967,577 4.016,578 1992.09,579 8.676,580 31511.1,582 1,585 332.475,586 1.299,587 4.94,588 0.162,589 0.009,590 0.076,591 0.036,592 0.025,593 0.016,594 0.014,595 0.013,596 0.007,597 0.007,598 0.365,599 0.17,600 1,601 1.313,602 172.859,603 -0.055,604 0.009,605 0.003,606 0.044,607 -0.053,608 0.037,609 0.153,610 -0.028,611 -0.022,612 -0.053,613 0.155,614 -0.084,615 -0.08,616 -0.02,617 -0.048,618 -0.005,619 -0.066,620 -0.016,621 -0.113,622 -0.087,623 -0.117,624 -0.078,625 -0.121,626 -0.096,627 -0.096,628 -0.036,629 -0.052,630 -0.011,631 -0.097,632 -0.048,633 0.109,634 -0.024,635 0.052,636 -0.057,637 0.072,638 -0.035,639 0.02,640 -0.027,641 0.035,642 -0.021,643 0.014,644 0.009,645 0.003,646 -0.141,647 -0.003,648 -0.12,649 0.041,650 -0.053,651 2.45,652 5.209,653 0.563,654 42.125,655 1.002,656 1.115,657 3.921,658 15.373,659 0.691,660 3.555,661 3.807,662 3.989,663 4.159,664 4.357,665 4.344,666 4.419,667 4.466,668 4.466,669 4.511,670 8.572,671 0.655,672 448.98,673 3.555,674 5.056,675 5.861,676 6.693,677 7.517,678 8.356,679 9.189,680 10.031,681 10.87,682 11.715,683 3.5,690 1,693 1,699 12,700 1,704 5,706 18,712 1,723 1,724 57,726 21,727 2,728 34,730 59,731 26,733 17,734 4,735 8,736 3,739 3,740 3,741 1,751 4,753 21,754 5,756 3,761 2,763 1,765 3,772 25,773 5,774 2,775 6,776 1,779 2,784 1,785 3,795 1,802 3,818 1,822 1,823 1,830 1,832 3,837 1,840 32,845 1,846 5,847 1,861 1,862 5.3,864 1,865 2,869 16.667,870 9.96,871 7.25,872 3.427,874 2.936,875 1.405,876 0.953,877 8.882,878 10.191,879 3.85,880 4.376,881 4.869,882 5.356,883 5.867,884 5.96,885 6.239,886 6.441,887 6.649,888 6.901,889 0.9,890 44,891 11.799,893 4.876,894 7.889,895 22.339,897 17.774,899 2.389,900 76.444,903 1,904 270.735,905 159.62,906 34.796,907 39.149,908 92.973,911 159.62,912 402.857,913 34.796,915 30.255,916 104.239,917 138.915,918 37.523,920 247.193,921 39.149,922 270.735,923 194.417,924 92.973,925 39.149,927 247.193,928 116.515,931 48.349,932 119.805,933 65.41,935 270.735,936 127.769,937 198.769,940 270.735,941 37.287,942 122.334,943 18.011,944 148.907,945 270.735,946 127.769,947 198.769,949 0.564,950 0.309,951 0.157,952 0.087,953 17,954 8,955 0.169,956 10,958 1,959 4.465,960 263.252,962 18,963 152,968 23.557,969 12.066,970 7.525,972 127.769,973 22.415,974 4.209,978 4.33,980 60.694,981 597.274,982 46,987 22.991,989 2.071,991 0.126,994 57.112,995 63.551,996 0.263,997 0.615,998 0.788,999 0.899,1000 0.922,1001 0.922,1002 5.04,1003 1.508,1004 5.802,1005 3.896,1006 4.489,1007 5.063,1008 2.468,1009 6.515,1010 4.449,1011 6.216,1012 1.396,1013 7.3,1014 3.75,1015 3.892,1016 4.649,1017 2.243,1018 7.261,1019 3.821,1020 7.487,1021 1,1022 8.9,1023 2.946,1024 5.984,1025 7.153,1026 3.693,1027 10.313,1028 5.925,1029 8.793,1030 1,1031 10.564,1032 2.275,1033 6.217,1034 7.541,1035 4.112,1036 11.953,1037 6.15,1038 10.129,1039 1,1040 12.271,1041 2.275,1042 7.747,1043 9.506,1044 5.217,1045 14.508,1046 7.684,1047 11.487,1048 0.978,1049 14.008,1050 2.224,1051 8.385,1052 10.288,1053 5.889,1054 16.524,1055 8.328,1056 12.862,1057 0.813,1058 15.77,1059 2.136,1060 9.666,1061 11.995,1062 6.852,1063 18.912,1064 9.607,1065 3.016,1066 0.194,1067 17.549,1068 1.893,1069 10.516,1070 13.001,1071 7.625,1072 21.091,1073 10.467,1074 2.813,1075 10.18,1076 19.342,1077 0.433,1078 11.681,1079 14.563,1080 8.526,1081 23.423,1082 11.629,1083 2.52,1084 8.571,1085 21.147,1086 3.968,1087 12.643,1088 15.705,1089 9.342,1090 25.674,1091 12.599,1092 2.284,1093 7.105,1094 22.961,1095 3.756,1096 13.757,1097 17.184,1098 10.216,1099 27.988,1100 13.711,1101 2.232,1102 6.129,1103 24.783,1104 3.471,1105 14.778,1106 18.409,1107 11.051,1108 30.272,1109 14.738,1110 2.122,1111 6.016,1112 26.611,1113 3.013,1114 15.87,1115 19.838,1116 11.912,1117 32.583,1118 15.829,1119 1.649,1120 5.184,1121 28.444,1122 2.92,1123 16.922,1124 21.116,1125 12.755,1126 34.882,1127 16.884,1128 15227,1129 27164,1130 22.652,1131 39.37,1132 49.717,1133 51.049,1134 50.248,1135 49.281,1136 49.051,1137 65.35,1138 6.798,1139 130.024,1140 47.879,1141 5.277,1142 5.596,1143 6.301,1144 5.05,1145 5.016,1146 6.968,1147 3.925,1148 16.922,1149 5.011,1150 15.997,1151 1.462,1152 1.501,1153 1.478,1154 1.449,1155 1.443,1156 1.922,1157 0.2,1158 3.824,1159 1.408,1160 4.021,1161 4.049,1162 4.012,1163 3.965,1164 7.474,1165 3.961,1166 3.918,1167 3.939,1168 3.947,1169 3.86,1170 7.429,1171 3.855,1172 3.819,1173 3.857,1174 3.752,1175 3.736,1176 6.351,1177 3.734,1178 3.696,1179 3.742,1180 3.582,1181 3.552,1182 4.94,1183 3.547,1184 3.527,1185 3.585,1186 3.543,1187 3.355,1188 4.914,1189 3.36,1190 3.371,1191 3.399,1192 3.335,1193 3.187,1194 4.719,1195 3.204,1196 3.163,1197 3.188,1198 3.185,1199 3.001,1200 4.302,1201 3.006,1202 2.986,1203 3.025,1204 2.943,1205 2.803,1206 4.243,1207 2.81,1208 0.129,1209 0.106,1210 0.191,1211 0.118,1212 0.089,1213 4.38,1214 0.117,1215 3.596,1216 0.069,1217 6.5,1218 0.299,1219 4.014,1220 0.089,1221 3.016,1222 3.968,1223 2.341,1224 10.18,1225 3.011,1226 1.99,1227 1.966,1228 2.094,1229 2.064,1230 1.297,1231 2.075,1232 1.898,1233 1.879,1234 1.987,1235 1.988,1236 1.219,1237 1.992,1238 1.812,1239 1.777,1240 1.951,1241 1.92,1242 1.077,1243 1.932,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.026,1249 1.868,1250 1.486,1251 1.429,1252 1.708,1253 1.693,1254 0.86,1255 1.7,1256 1.304,1257 1.266,1258 1.512,1259 1.527,1260 0.663,1261 1.515,1262 1.085,1263 1.063,1264 1.245,1265 1.31,1266 0.366,1267 1.294,1268 0.938,1269 0.898,1270 1.181,1271 1.166,1272 0.245,1273 1.164,1274 4.234,1276 5.501,1278 6.954,1280 8.489,1282 10.069,1285 5.86,1289 8.862,1290 2.655,1291 2.924,1300 37.336,1301 87.412,1302 204.421,1303 262.136,1304 298.865,1305 306.475,1306 306.475,1307 71.685,1308 7.256,1309 79.29,1310 79.29,1311 18,1312 12.278,1313 4.459,1314 3.7,1315 61.422,1316 164,1317 170,1318 0.178,1319 236.773,1320 420.48,1321 569.485,1322 14414,1323 1.8,1324 22.761,1325 0.711,1326 0.575,1327 23.261,1328 18.386,1329 15.525,1330 0.457,1331 0.319,1332 10.431,1333 14.856,1334 10.176,1335 8.45,1336 15.814,1337 10.86,1338 13.449,1339 0.306,1340 0.177,1341 13.857,1342 7.792,1343 10.458,1344 0.197,1345 0.099,1346 10.747,1347 5.238,1348 8.075,1349 0.128,1350 0.054,1351 8.242,1352 3.425,1353 6.467,1354 0.084,1355 0.031,1356 6.681,1357 2.353,1358 0.289,1359 99.011,1360 0.21,1361 30.792,1362 0.46,1363 156,1364 467.802,1365 181.27,1366 487.753,1367 638.82,1368 452,1369 175,1370 424.969,1371 192.574,1372 443.916,1373 635.36,1374 418,1375 7.367} {0 CHEMBL128188,1 1.59,2 10.652,3 3.115,4 9.702,5 86.002,6 7.462,7 0.5,8 3.818,9 3.929,10 3.368,11 3.325,12 5.014,13 3.311,14 4.3,15 4.469,16 3.603,17 3.641,18 5.499,19 3.59,20 4.543,21 4.775,22 3.589,23 3.699,24 5.563,25 3.623,26 4.479,27 4.706,28 3.571,29 3.598,30 5.542,31 3.545,32 4.441,33 4.645,34 3.595,35 3.585,36 5.556,37 3.559,38 4.444,39 4.639,40 3.502,41 3.627,42 5.531,43 3.561,44 4.448,45 4.681,46 3.329,47 3.599,48 5.507,49 3.47,50 4.344,51 4.62,52 3.105,53 3.467,54 5.254,55 3.302,56 0.095,57 0.588,58 8.423,59 3.815,60 12.231,61 4.881,62 0.257,63 0.889,64 15.152,65 5.944,66 43.08,67 7.99,68 0.347,69 1.021,70 21.655,71 7.221,72 50.49,73 10.13,74 0.364,75 0.945,76 20.4,77 6.285,78 47.469,79 8.909,80 0.393,81 0.917,82 19.436,83 5.827,84 48.139,85 7.833,86 0.403,87 0.923,88 19.133,89 6.258,90 46.543,91 8.359,92 0.471,93 0.924,94 19.638,95 6.654,96 55.858,97 9.555,98 0.296,99 0.826,100 18.088,101 6.245,102 38.512,103 9.413,104 13,105 29,106 0.28,107 0.617,108 0.775,109 0.864,110 0.875,111 0.875,112 3.187,113 0.938,114 -3.71,115 -3.68,116 -3.5,118 40.5,120 4,124 1,140 6,141 1,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 9,169 1,171 1,172 5,175 1,177 1,180 8,181 1,185 1,186 8,191 1,194 5,195 1,197 1,198 10,203 1,206 2,207 1,209 1,210 9,215 1,218 3,221 1,222 6,223 1,229 5,233 1,234 3,235 1,237 1,242 6,246 1,247 3,250 1,255 7,259 2,267 6,268 1,270 916,271 15.778,272 15.778,273 15.778,274 15.778,275 15.778,276 13.91,277 8.2,278 10.19,279 16.034,280 11.915,281 11.915,282 11.915,283 11.915,284 11.915,285 9.255,286 5.628,287 4.921,288 12.286,289 3.803,290 1.892,291 0.995,292 0.494,293 0.429,294 0.429,295 3.857,298 1,299 1,300 1,301 505,302 3.742,306 175.781,313 1.554,314 22.456,315 1,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 50.5,326 245,327 4.369,328 3.999,329 6.498,330 3.983,331 3.006,332 3.943,333 2.373,334 10.173,335 2.936,336 3.736,337 3.596,338 5.247,339 3.254,340 2.278,341 3.298,342 2.341,343 6.4,344 2.223,345 3.55,346 2.937,347 4.659,348 3.241,349 2.236,350 2.71,352 5.184,353 2.221,354 3.28,355 2.278,356 4.224,357 2.806,358 1.854,359 2.58,361 4.075,362 1.76,363 2.83,364 1.838,365 3.789,366 2.656,367 1.685,368 1.908,370 3.497,371 1.634,372 2.781,373 1.698,374 3.555,375 2.294,376 1.317,377 1.85,379 2.88,380 1.281,381 2.578,382 1.318,383 3.465,384 2.257,385 1.313,386 1.542,388 2.743,389 1.231,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.942,403 1,404 1.5,406 2.136,407 0.939,408 2.138,409 1,410 3.151,411 1.816,412 0.848,413 1.038,415 1.91,416 0.816,417 1.517,418 0.871,419 2.674,420 1.336,421 0.37,422 0.413,424 0.815,425 0.355,426 0.964,427 0.66,428 2.198,429 0.779,430 -0.212,431 -0.227,433 -0.459,434 -0.208,435 0.719,436 0.28,437 2.158,438 0.273,439 -0.705,440 -0.864,442 -1.547,443 -0.682,444 0.621,445 -0.348,446 1.62,447 0.198,448 -0.76,449 -0.952,451 -1.67,452 -0.716,453 0.5,454 -0.627,455 1.555,457 -1,458 -1.295,460 -2,461 -0.922,462 10.7,463 0.465,464 0.315,465 0.014,466 29.25,467 1.272,468 15,469 0.652,470 14.25,471 0.62,472 16.233,473 0.706,474 25.3,475 0.602,476 20.007,477 0.87,478 5.958,479 0.259,480 5.313,481 0.231,482 0.062,484 0.187,487 0.713,488 1.279,489 0.792,490 1.138,491 0.69,492 1.012,493 0.71,494 1.207,495 0.953,496 1.17,497 0.491,498 1.118,499 0.996,500 0.992,501 0.932,502 0.936,503 0.947,504 0.926,505 1.125,506 1.041,507 0.933,508 0.923,509 0.908,510 0.891,511 1.504,512 0.935,513 1.061,514 0.852,515 1.067,516 0.862,517 1.382,518 1.011,519 1.235,520 1.011,521 1.078,522 1.083,523 0.708,524 1.033,525 1.134,526 1.073,527 0.804,528 1.165,529 0.39,530 0.936,531 0.948,532 1.02,533 0.354,534 1.077,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.066,544 0.051,545 5804,546 18432,547 2.021,548 45.2,549 4,550 8,552 2,553 1,554 2,555 2,558 1.656,559 1.944,560 3.345,561 -0.284,562 1,563 1,565 1,567 66.77,568 1.59,569 3.5,570 4.398,571 4.898,572 4.964,573 4.964,574 2.699,575 3.567,576 4.488,577 3.571,578 903.52,579 7.725,580 11000.6,581 1,582 1,584 1,585 226.477,586 1.068,587 4.48,588 0.104,589 0.008,590 0.054,591 0.036,592 0.017,593 0.009,594 0.01,595 0.008,596 0.004,597 0.004,598 0.253,599 0.33,600 1,601 2.076,602 110.277,603 0.051,604 -0.091,605 0.032,606 -0.029,607 -0.013,608 -0.013,609 0.096,610 -0.109,611 -0.066,612 -0.129,613 0.184,614 -0.131,615 -0.076,616 -0.02,617 0.042,618 0.043,619 -0.085,620 0.058,621 -0.071,622 -0.059,623 0.063,624 0.026,625 -0.062,626 0.064,627 -0.234,628 0.081,629 -0.055,630 0.085,631 -0.158,632 0.058,633 -0.223,634 0.005,635 -0.262,636 -0.037,637 -0.21,638 -0.14,639 0.114,640 -0.053,641 -0.181,642 -0.089,643 -0.003,644 -0.174,645 0.146,646 0.015,647 -0.001,648 -0.037,649 0.126,650 -0.048,651 2.431,652 3.426,653 0.522,654 22.514,655 1.008,656 1.13,657 2.482,658 6.159,659 0.654,660 3.219,661 3.401,662 3.555,663 3.738,664 3.892,665 3.784,666 3.85,667 3.829,668 3.714,669 3.611,670 6.525,671 0.629,672 313.39,673 3.219,674 4.673,675 5.451,676 6.26,677 7.064,678 7.886,679 8.705,680 9.536,681 10.363,682 11.199,683 7.1,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 42,726 14,727 1,728 24,730 43,731 17,733 10,734 1,735 5,736 1,739 2,740 2,751 4,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,772 19,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 23,845 1,846 5,848 1,862 7.1,864 1,865 1,867 1,869 11.833,870 7.3,871 5.389,872 2.564,874 2.037,875 1.328,876 0.907,877 7.052,878 8.255,879 3.497,880 3.951,881 4.413,882 4.914,883 5.402,884 5.398,885 5.772,886 5.982,887 6.093,888 6.171,889 0.857,890 28,891 8.434,893 3.366,894 7.92,895 15.891,897 12.116,899 2.42,900 55.667,903 1,904 211.88,905 98.863,906 52.971,908 79.047,911 98.863,912 290.927,913 52.971,915 14.731,916 56.857,917 128.608,918 54.227,920 188.338,922 211.88,923 151.834,924 79.047,927 188.338,928 102.589,931 54.553,932 63.71,933 33.571,935 211.88,936 132.018,937 98.863,940 211.88,941 24.339,942 74.523,944 132.018,945 211.88,946 132.018,947 98.863,949 0.541,950 0.289,951 0.158,952 0.087,953 10,954 4,955 0.209,956 9,958 1,959 3.671,960 159.992,962 12,963 100.042,968 16.946,969 9.571,970 6.07,972 132.018,973 14.586,974 8.127,978 1.606,980 42.683,981 442.761,982 32,987 10.426,990 4.207,991 -0.113,994 42.356,995 47.445,996 0.295,997 0.649,998 0.816,999 0.908,1000 0.921,1001 0.921,1002 4.644,1003 1,1004 5.342,1005 2.743,1006 4.078,1007 4.635,1008 3.036,1009 6.004,1010 4.021,1011 5.776,1012 1,1013 6.795,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 7.012,1021 0.848,1022 8.362,1023 2.136,1024 5.493,1025 6.651,1026 4.616,1027 9.809,1028 5.392,1029 8.287,1030 0.37,1031 10.01,1032 1.91,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.46,1038 9.602,1039 -0.212,1040 11.717,1041 0.815,1042 7.216,1043 8.968,1044 6.289,1045 14.117,1046 7.073,1047 10.945,1048 -0.705,1049 13.468,1050 -0.459,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.634,1056 12.313,1057 -0.76,1058 15.251,1059 -1.547,1060 9.136,1061 11.447,1062 7.991,1063 18.634,1064 8.95,1065 3.006,1066 -1,1067 17.057,1068 -1.67,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.772,1074 2.278,1075 10.173,1076 18.879,1077 -2,1078 11.181,1079 14.023,1080 9.704,1081 23.227,1082 10.95,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.904,1092 1.854,1093 5.184,1094 22.557,1095 3.298,1096 13.3,1097 16.66,1098 11.42,1099 27.849,1100 13.021,1101 1.685,1102 4.075,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.04,1110 1.317,1111 3.497,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 13.139,1117 32.481,1118 15.131,1119 1.313,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.181,1128 5880,1129 10576,1130 16.178,1131 27.472,1132 34.221,1133 36.124,1134 34.342,1135 33.814,1136 33.815,1137 44.566,1138 9.428,1139 83.899,1140 32.791,1141 5.277,1142 5.999,1143 6.36,1144 5.054,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.936,1150 9.248,1151 1.426,1152 1.505,1153 1.431,1154 1.409,1155 1.409,1156 1.857,1157 0.393,1158 3.496,1159 1.366,1160 3.964,1161 3.998,1162 3.917,1163 3.883,1164 7.474,1165 3.884,1166 3.767,1167 3.815,1168 3.702,1169 3.632,1170 6.351,1171 3.644,1172 3.749,1173 3.803,1174 3.617,1175 3.602,1176 5.07,1177 3.595,1178 3.493,1179 3.527,1180 3.385,1181 3.258,1182 4.852,1183 3.275,1184 3.225,1185 3.268,1186 3.154,1187 3.015,1188 4.676,1189 3.039,1190 3.016,1191 3.065,1192 2.859,1193 2.751,1194 4.092,1195 2.773,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.93,1201 2.715,1202 2.777,1203 2.86,1204 2.63,1205 2.592,1206 3.799,1207 2.592,1208 0.182,1209 0.167,1210 0.271,1211 0.166,1212 0.125,1213 4.369,1214 0.164,1215 3.999,1216 0.099,1217 6.498,1218 0.424,1219 3.983,1220 0.122,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.936,1226 1.927,1227 1.899,1228 2.031,1229 2.029,1230 1.329,1231 2.027,1232 1.743,1233 1.69,1234 1.986,1235 1.919,1236 1.102,1237 1.942,1238 1.716,1239 1.669,1240 1.828,1241 1.879,1242 0.94,1243 1.872,1244 1.417,1245 1.372,1246 1.676,1247 1.68,1248 0.8,1249 1.67,1250 1.125,1251 1.08,1252 1.3,1253 1.397,1254 0.453,1255 1.357,1256 0.941,1257 0.892,1258 1.211,1259 1.222,1260 0.288,1261 1.218,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.763,1269 0.683,1270 1.052,1271 0.996,1272 0.047,1273 1.022,1274 3.892,1276 5.106,1278 6.512,1280 8.011,1282 9.564,1289 8.576,1290 2.86,1292 5.392,1300 26.423,1301 66.77,1302 146.993,1303 184.703,1304 205.722,1305 208.477,1306 208.477,1307 43.941,1308 6.219,1309 84.67,1310 84.67,1311 12,1312 11.77,1313 3.907,1314 3.17,1315 45.392,1316 84,1317 101,1318 0.246,1319 168.006,1320 294.39,1321 401.694,1322 3384,1324 16.33,1325 0.71,1326 0.555,1327 16.33,1328 12.76,1329 11.271,1330 0.47,1331 0.313,1332 7.399,1333 10.773,1334 7.279,1335 6.082,1336 11.271,1337 7.507,1338 9.199,1339 0.317,1340 0.17,1341 9.199,1342 4.938,1343 6.83,1344 0.201,1345 0.093,1346 6.83,1347 3.154,1348 5.444,1349 0.133,1350 0.049,1351 5.444,1352 2.004,1353 4.284,1354 0.089,1355 0.026,1356 4.284,1357 1.245,1358 0.394,1359 71.188,1360 0.249,1361 23.183,1362 0.652,1363 106,1364 370.556,1365 118.191,1366 352.451,1367 465.35,1368 328,1369 116,1370 329.449,1371 127.004,1372 328.612,1373 464.6,1374 308,1375 5} {0 CHEMBL128678,1 1.716,2 14.794,3 4.008,4 16.064,5 132.09,6 8.492,7 0.5,8 4.161,9 4.25,10 3.946,11 3.776,12 5.31,13 3.727,14 4.675,15 4.806,16 4.228,17 4.154,18 6.051,19 4.081,20 4.965,21 5.149,22 4.252,23 4.296,24 6.118,25 4.186,26 4.991,27 5.18,28 4.152,29 4.252,30 6.161,31 4.143,32 4.982,33 5.186,34 4.188,35 4.242,36 6.106,37 4.131,38 4.991,39 5.204,40 4.22,41 4.254,42 6.142,43 4.138,44 4.991,45 5.211,46 4.057,47 4.207,48 6.102,49 4.092,50 4.9,51 5.11,52 4.001,53 4.1,54 6.078,55 4.001,56 0.175,57 0.805,58 12.663,59 5.855,60 24.99,61 6.624,62 0.457,63 1.271,64 20.944,65 9.789,66 78.594,67 11.638,68 0.53,69 1.606,70 37.93,71 14.088,72 92.14,73 16.359,74 0.616,75 1.626,76 38.474,77 13.953,78 108.946,79 16.189,80 0.6,81 1.623,82 36.15,83 13.244,84 102.059,85 15.967,86 0.606,87 1.647,88 37.208,89 13.799,90 82.533,91 17.371,92 0.544,93 1.599,94 36.807,95 13.82,96 91.017,97 17.273,98 0.504,99 1.427,100 32.382,101 12.196,102 85.698,103 15.208,104 42,105 49,106 0.276,107 0.603,108 0.761,109 0.861,110 0.868,111 0.868,112 3.56,113 1.047,114 -2.66,115 -2.67,116 -2.6,118 42.4,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,162 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 9,191 4,194 22,195 1,198 11,203 5,206 16,207 1,210 8,215 3,218 17,219 1,222 13,227 3,229 16,230 2,234 11,239 3,242 13,243 3,247 8,248 1,252 5,255 12,256 3,258 1,259 6,260 1,262 1,264 5,267 8,268 1,270 2308,271 22.369,272 22.369,273 22.369,274 22.369,275 22.369,276 19.359,277 14.846,278 13.369,279 22.767,280 17.759,281 17.759,282 17.759,283 17.759,284 17.759,285 13.209,286 7.289,287 6.356,288 18.457,289 4.166,290 2.124,291 1.144,292 0.521,293 0.475,294 0.475,295 4.24,297 1,300 1,301 1046,302 4.69,306 416.134,313 2.196,314 48.049,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 74.333,326 503,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.411,337 3.596,338 6.508,339 4.027,340 3.031,341 4.102,343 10.219,344 3.02,345 4.039,346 3.206,347 5.455,348 3.548,349 2.559,350 3.742,352 7.199,353 2.533,354 3.836,355 2.961,356 5.246,357 3.321,358 2.401,359 3.393,361 6.599,362 2.265,363 3.789,364 2.898,365 5.147,366 3.296,367 2.333,368 3.248,370 6.318,371 2.212,372 3.549,373 2.681,374 4.811,375 3.232,376 2.228,377 2.71,379 5.267,380 2.154,381 3.289,382 2.055,383 4.729,384 2.828,385 1.847,386 2.586,388 5.179,389 1.808,390 3.081,391 1.908,392 4.659,393 2.582,394 1.645,395 2.29,397 4.757,398 1.533,399 2.916,400 1.869,401 4.026,402 2.534,403 1.537,404 1.996,406 3.518,407 1.464,408 2.647,409 1.376,410 3.527,411 2.21,412 1.22,413 1.686,415 2.646,416 1.205,417 2.5,418 1.269,419 3.484,420 2.094,421 1.125,422 1.5,424 2.509,425 1.084,426 2.5,427 1.114,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.313,436 1,437 3.414,438 2,439 1,440 1.275,442 2.275,443 1,444 2.197,445 1,446 3.341,447 1.838,448 0.845,449 1.078,451 2.039,452 0.835,453 1.381,454 0.702,455 2.955,456 1.201,457 0.206,458 0.228,460 0.468,461 0.203,462 16.514,463 0.486,464 0.93,465 0.027,466 45.25,467 1.331,468 25,469 0.735,470 20.25,471 0.596,472 28.256,473 0.831,474 36.886,475 0.625,476 37.799,477 1.112,478 8.784,479 0.258,480 7.458,481 0.219,482 0.144,483 0.05,484 0.236,487 0.518,488 1.157,489 0.716,490 1.08,491 0.642,492 0.905,493 0.504,494 1.095,495 0.793,496 1.006,497 0.466,498 1.021,499 0.927,500 1.045,501 1.082,502 1.077,503 0.89,504 1.026,505 1.061,506 1.09,507 1.086,508 1.093,509 1.073,510 1.087,511 0.944,512 1.016,513 0.715,514 0.865,515 0.988,516 1.009,517 0.559,518 1.038,519 0.785,520 1.03,521 0.542,522 1.04,523 0.822,524 0.983,525 0.812,526 0.955,527 0.839,528 1.005,529 0.939,530 1.045,531 0.812,532 0.954,533 0.94,534 1.038,535 8,536 0.285,537 4.222,538 2.125,539 1.307,540 1.056,541 0.769,542 0.557,543 0.353,544 0.308,545 17622,546 62554,547 1.987,548 42.4,549 4,550 13,552 2,553 2,554 2,555 2,558 1.758,559 1.846,560 3.794,561 0.206,567 101.273,568 1.716,569 3.759,570 4.739,571 5.361,572 5.408,573 5.408,574 3.213,575 4.315,576 5.056,577 4.021,578 2255.88,579 8.86,580 36882.7,585 347.076,586 1.552,587 5.003,588 0.222,589 0.009,590 0.086,591 0.043,592 0.029,593 0.024,594 0.017,595 0.013,596 0.009,597 0.009,598 0.463,599 0.33,600 0.75,601 1.339,602 186.282,603 0.091,604 0.004,605 0.122,606 -0.003,607 -0.091,608 0.04,609 0.213,610 -0.006,611 0.004,612 -0.027,613 0.229,614 -0.075,615 -0.104,616 -0.034,617 -0.087,618 -0.029,619 -0.063,620 -0.021,621 -0.152,622 -0.091,623 -0.157,624 -0.091,625 -0.125,626 -0.101,627 -0.11,628 -0.023,629 0.036,630 0.046,631 -0.124,632 -0.035,633 0.123,634 -0.044,635 0.075,636 -0.075,637 0.102,638 -0.028,639 -0.043,640 -0.029,641 -0.004,642 -0.025,643 -0.027,644 0.004,645 -0.065,646 -0.11,647 -0.013,648 -0.068,649 -0.049,650 -0.049,651 4.536,652 5.403,653 0.529,654 43.772,655 1.014,656 1.117,657 1.426,658 2.032,659 0.694,660 3.611,661 3.912,662 4.078,663 4.248,664 4.443,665 4.489,666 4.522,667 4.554,668 4.595,669 4.663,670 8.656,671 0.66,672 501.04,673 3.611,674 5.142,675 5.953,676 6.81,677 7.643,678 8.505,679 9.346,680 10.212,681 11.058,682 11.926,683 3.4,685 1,694 1,699 12,704 5,706 18,723 1,724 59,726 23,727 2,728 36,730 61,731 25,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 5,756 5,760 1,761 4,763 1,765 2,772 25,773 6,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 34,844 1,845 1,846 5,847 1,861 1,862 8.5,864 1,865 3,868 1,869 18.417,870 10.21,871 7.514,872 3.433,874 3.051,875 1.413,876 0.958,877 9.11,878 10.435,879 3.932,880 4.538,881 4.992,882 5.484,883 5.998,884 6.195,885 6.415,886 6.594,887 6.863,888 7.153,889 0.9,890 49,891 12.8,893 5.635,894 8.109,895 23.494,897 19.101,899 2.609,900 88.694,904 270.735,905 159.088,906 19.577,907 39.149,908 137.515,910 5.807,911 153.281,912 447.399,913 19.577,914 3.172,915 12.244,916 126.451,917 136.593,918 35.888,920 247.193,921 64.522,922 270.735,923 172.858,924 137.515,925 44.956,927 247.193,928 135.683,929 25.373,931 46.744,932 113.466,933 57.604,935 270.735,936 157.092,937 198.237,939 5.807,940 270.735,941 30.947,942 125.506,943 16.405,944 176.663,945 270.735,946 157.092,947 198.237,949 0.579,950 0.312,951 0.154,952 0.085,953 20,954 10,955 0.18,956 11,958 1,959 4.509,960 292.166,962 18,963 162.974,967 1,968 25.76,969 12.024,970 7.861,972 153.92,973 19.982,978 3.182,980 59.088,981 626.064,982 50,986 -3.619,987 47.368,989 1.938,991 -0.006,994 59.843,995 65.89,996 0.292,997 0.639,998 0.806,999 0.911,1000 0.919,1001 0.919,1002 5.15,1003 1.645,1004 5.953,1005 5.179,1006 4.595,1007 5.226,1008 2.258,1009 6.744,1010 4.521,1011 6.383,1012 1.537,1013 7.51,1014 4.757,1015 4.29,1016 5.255,1017 2.243,1018 7.881,1019 4.108,1020 7.718,1021 1.22,1022 9.184,1023 3.518,1024 6.213,1025 7.51,1026 3.628,1027 10.875,1028 6.048,1029 9.096,1030 1.125,1031 10.934,1032 2.646,1033 6.723,1034 8.343,1035 4.112,1036 12.9,1037 6.435,1038 10.508,1039 1,1040 12.738,1041 2.509,1042 8.164,1043 10.131,1044 5.201,1045 15.516,1046 7.88,1047 11.948,1048 1,1049 14.581,1050 2.275,1051 9.046,1052 11.323,1053 5.889,1054 17.855,1055 8.642,1056 13.409,1057 0.845,1058 16.455,1059 2.275,1060 10.314,1061 12.94,1062 6.849,1063 20.379,1064 9.885,1065 3.374,1066 0.206,1067 18.352,1068 2.039,1069 11.367,1070 14.303,1071 7.625,1072 22.824,1073 10.829,1074 3.031,1075 12.404,1076 20.266,1077 0.468,1078 12.576,1079 15.856,1080 8.526,1081 25.328,1082 11.988,1083 2.559,1084 10.219,1085 22.195,1086 4.697,1087 13.708,1088 17.303,1089 9.342,1090 27.811,1091 13.019,1092 2.401,1093 7.199,1094 24.134,1095 4.102,1096 14.901,1097 18.834,1098 10.216,1099 30.314,1100 14.145,1101 2.333,1102 6.599,1103 26.082,1104 3.742,1105 16.068,1106 20.323,1107 11.051,1108 32.812,1109 15.218,1110 2.228,1111 6.318,1112 28.036,1113 3.393,1114 17.261,1115 21.851,1116 11.912,1117 35.318,1118 16.332,1119 1.847,1120 5.267,1121 29.995,1122 3.248,1123 18.446,1124 23.362,1125 12.755,1126 37.824,1127 17.425,1128 17340,1129 32872,1130 23.345,1131 40.926,1132 52.933,1133 55.007,1134 54.352,1135 53.005,1136 52.705,1137 72.063,1138 4.682,1139 147.344,1140 50.76,1141 5.744,1142 6.683,1143 6.972,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 20.006,1151 1.47,1152 1.528,1153 1.51,1154 1.472,1155 1.464,1156 2.002,1157 0.13,1158 4.093,1159 1.41,1160 4.095,1161 4.108,1162 4.736,1163 4.069,1164 7.717,1165 4.001,1166 4.037,1167 4.035,1168 4.016,1169 3.964,1170 7.475,1171 3.943,1172 3.893,1173 3.924,1174 3.924,1175 3.779,1176 7.47,1177 3.787,1178 3.715,1179 3.759,1180 3.834,1181 3.587,1182 6.999,1183 3.567,1184 3.651,1185 3.661,1186 3.593,1187 3.556,1188 6.351,1189 3.507,1190 3.449,1191 3.463,1192 3.386,1193 3.306,1194 4.929,1195 3.302,1196 3.272,1197 3.306,1198 3.193,1199 3.103,1200 4.784,1201 3.093,1202 3.087,1203 3.127,1204 3.116,1205 2.816,1206 4.59,1207 2.846,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.065,1217 7.293,1218 0.345,1219 4.291,1220 0.085,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 2.009,1227 1.987,1228 2.105,1229 2.14,1230 1.303,1231 2.12,1232 1.952,1233 1.959,1234 1.987,1235 2.032,1236 1.234,1237 2.065,1238 1.861,1239 1.827,1240 1.95,1241 1.978,1242 1.147,1243 1.989,1244 1.695,1245 1.646,1246 1.915,1247 1.871,1248 1.066,1249 1.887,1250 1.543,1251 1.531,1252 1.704,1253 1.721,1254 0.895,1255 1.742,1256 1.365,1257 1.354,1258 1.515,1259 1.555,1260 0.678,1261 1.552,1262 1.213,1263 1.184,1264 1.211,1265 1.398,1266 0.521,1267 1.434,1268 0.962,1269 0.922,1270 1.181,1271 1.267,1272 0.329,1273 1.234,1274 4.29,1276 5.595,1278 7.081,1280 8.65,1282 10.263,1285 5.816,1289 8.863,1290 1.858,1291 2.588,1300 38.953,1301 101.273,1302 221.777,1303 279.592,1304 316.321,1305 319.076,1306 319.076,1307 101.118,1308 7.384,1309 108.93,1310 117.31,1311 18,1312 12.475,1313 4.585,1314 3.907,1315 67.526,1316 177,1317 180,1318 0.182,1319 249.231,1320 441.91,1321 599.884,1322 16596,1323 1.7,1324 24.554,1325 0.722,1326 0.586,1327 25.304,1328 19.927,1329 16.242,1330 0.451,1331 0.349,1332 10.751,1333 14.642,1334 10.382,1335 8.6,1336 17.352,1337 12.563,1338 14.992,1339 0.306,1340 0.201,1341 16.724,1342 9.858,1343 11.203,1344 0.193,1345 0.118,1346 12.599,1347 6.853,1348 8.656,1349 0.125,1350 0.066,1351 9.678,1352 4.552,1353 6.755,1354 0.08,1355 0.039,1356 7.714,1357 3.256,1358 0.295,1359 112.694,1360 0.207,1361 32.152,1362 0.475,1363 170,1364 566.134,1365 236.375,1366 596.189,1367 773.07,1368 544,1369 192,1370 497.16,1371 257.634,1372 546.752,1373 781.48,1374 512,1375 4.347} {0 CHEMBL128973,1 1.67,2 14.765,3 3,4 8.999,5 129.772,6 8.129,7 0.5,8 4.161,9 4.256,10 3.91,11 3.754,12 5.332,13 3.716,14 4.66,15 4.8,16 4.175,17 4.111,18 6.059,19 4.052,20 4.912,21 5.083,22 4.198,23 4.259,24 6.116,25 4.164,26 4.989,27 5.183,28 4.139,29 4.234,30 6.181,31 4.137,32 4.97,33 5.174,34 4.196,35 4.193,36 6.296,37 4.114,38 4.916,39 5.107,40 4.141,41 4.178,42 6.159,43 4.092,44 4.934,45 5.14,46 4.004,47 4.134,48 6.129,49 4.046,50 4.837,51 5.05,52 3.928,53 4.056,54 5.992,55 3.961,56 0.138,57 0.839,58 13.349,59 5.733,60 24.721,61 6.485,62 0.507,63 1.303,64 21.397,65 9.228,66 82.778,67 11.115,68 0.519,69 1.597,70 32.614,71 12.769,72 84.047,73 14.9,74 0.549,75 1.663,76 36.308,77 13.417,78 102.542,79 15.941,80 0.677,81 1.622,82 33.059,83 12.33,84 129.056,85 15.435,86 0.528,87 1.604,88 34.42,89 12.29,90 78.419,91 14.516,92 0.598,93 1.542,94 33.113,95 11.886,96 106.358,97 14.493,98 0.368,99 1.395,100 27.739,101 11.168,102 66.232,103 14.44,104 42,105 49,106 0.268,107 0.613,108 0.774,109 0.848,110 0.866,111 0.866,112 3.56,113 1,114 -2.87,115 -2.88,116 -2.78,118 42.4,119 1,120 1,124 2,133 1,134 1,140 10,141 4,142 1,143 2,154 2,163 1,167 1,168 17,171 1,172 3,175 4,177 2,178 1,180 21,186 7,189 1,190 1,191 4,194 18,198 10,199 1,203 6,206 10,207 1,209 1,210 10,213 1,215 7,218 9,219 1,221 1,222 12,225 1,227 6,229 9,230 2,234 8,239 4,242 9,243 3,247 7,248 1,252 6,255 11,256 3,258 1,259 5,262 1,264 4,267 9,268 1,270 2272,271 22.369,272 22.369,273 22.369,274 22.369,275 22.369,276 19.412,277 14.325,278 13.385,279 22.637,280 17.759,281 17.759,282 17.759,283 17.759,284 17.759,285 13.23,286 8.759,287 6.38,288 18.179,289 4.213,290 2.065,291 1.063,292 0.602,293 0.487,294 0.487,295 4.239,299 1,300 1,301 1044,302 4.848,306 418.248,313 2.173,314 47.524,317 1,318 0.67,319 0.83,320 0.6,322 1,323 1,324 0.73,325 74.5,326 502,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 2.375,334 12.404,335 3.066,336 4.401,337 3.626,338 6.514,339 4.033,340 3.033,341 3.99,342 1.061,343 10.25,344 3.03,345 3.916,346 3.448,347 5.416,348 3.525,349 2.527,350 3.476,351 0.14,352 7.112,353 2.522,354 3.834,355 2.979,356 5.155,357 3.398,358 2.399,359 3.393,361 6.321,362 2.396,363 3.702,364 2.691,365 5.134,366 3.365,367 2.371,368 3.035,370 6.204,371 2.343,372 3.531,373 2.561,374 5.056,375 3.125,376 2.133,377 2.783,379 6.068,380 2.108,381 3.423,382 2.176,383 4.73,384 3.05,385 2.037,386 2.612,388 4.974,389 2.043,390 3.082,391 1.848,392 4.583,393 2.636,394 1.652,395 2.29,397 4.758,398 1.621,399 2.957,400 1.547,401 4.002,402 2.471,403 1.498,404 2.122,406 3.427,407 1.454,408 2.5,409 1.438,410 3.527,411 2.108,412 1.137,413 1.5,415 2.552,416 1.101,417 2.5,418 1.279,419 3.429,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.479,436 1,437 3.414,438 1.957,439 1,440 1.369,442 2.165,443 0.954,444 2.253,445 1,446 3.247,447 1.829,448 0.853,449 1.158,451 2.136,452 0.829,453 1.716,454 0.965,455 2.982,456 1.41,457 0.428,458 0.498,460 0.938,461 0.412,462 16.2,463 0.476,464 0.93,465 0.027,466 46,467 1.353,468 25.5,469 0.75,470 20.5,471 0.603,472 26.48,473 0.779,474 36.6,475 0.62,476 39.951,477 1.175,478 9.365,479 0.275,480 6.877,481 0.202,482 0.134,483 0.051,484 0.247,487 0.621,488 1.208,489 0.82,490 1.147,491 0.675,492 0.921,493 0.508,494 1.026,495 0.876,496 0.986,497 0.484,498 0.979,499 0.906,500 1.066,501 1.187,502 1.142,503 0.926,504 1.094,505 1.06,506 1.1,507 1.149,508 1.118,509 1.088,510 1.082,511 0.879,512 1.018,513 0.805,514 0.882,515 0.863,516 0.929,517 0.972,518 1.096,519 1.207,520 1.161,521 0.903,522 1.062,523 1.166,524 0.945,525 1.042,526 0.943,527 1.163,528 1.015,529 0.797,530 1.065,531 0.784,532 0.994,533 0.78,534 1.066,535 8,536 0.268,537 4.222,538 1.938,539 1.596,540 1.111,541 0.689,542 0.597,543 0.332,544 0.268,545 17486,546 57266,547 1.987,548 42.4,549 3,550 15,552 2,553 3,555 2,558 1.758,559 1.846,560 3.78,561 0.84,567 98.519,568 1.67,569 3.817,570 4.819,571 5.281,572 5.395,573 5.395,574 3.204,575 4.418,576 5.057,577 4.012,578 2250.5,579 8.859,580 36570.4,585 347.076,586 1.552,587 5.003,588 0.222,589 0.01,590 0.086,591 0.04,592 0.035,593 0.023,594 0.015,595 0.015,596 0.009,597 0.008,598 0.462,599 0.33,600 0.88,601 1.339,602 186.009,603 0.011,604 -0.045,605 0.158,606 -0.016,607 -0.12,608 0.045,609 0.258,610 0.075,611 0.02,612 0.022,613 0.23,614 -0.027,615 -0.059,616 -0.035,617 -0.149,618 -0.068,619 -0.072,620 -0.098,621 -0.133,622 -0.115,623 -0.133,624 -0.093,625 -0.12,626 -0.085,627 0.059,628 -0.045,629 0.102,630 0.052,631 0.092,632 0.051,633 -0.072,634 -0.053,635 -0.134,636 -0.111,637 -0.018,638 -0.078,639 -0.18,640 0.024,641 -0.128,642 -0.008,643 -0.141,644 -0.04,645 -0.016,646 -0.135,647 0.027,648 -0.091,649 -0.006,650 -0.06,651 4.499,652 5.433,653 0.529,654 42.706,655 1.013,656 1.119,657 1.641,658 2.693,659 0.683,660 3.611,661 3.912,662 4.078,663 4.248,664 4.466,665 4.466,666 4.511,667 4.554,668 4.575,669 4.595,670 8.59,671 0.655,672 479.6,673 3.611,674 5.142,675 5.953,676 6.81,677 7.644,678 8.505,679 9.349,680 10.213,681 11.062,682 11.927,683 5.1,685 1,690 1,693 1,699 12,700 1,704 5,706 18,724 59,726 23,727 2,728 36,730 61,731 25,733 17,734 4,735 8,736 3,739 3,740 3,745 1,751 1,753 21,754 4,756 5,760 1,761 4,763 1,765 3,772 25,773 8,774 3,775 9,776 1,779 3,784 1,785 5,795 1,802 3,816 1,818 1,822 1,823 1,830 1,832 3,834 1,836 1,840 34,844 1,845 1,846 3,847 2,862 8.5,864 1,865 4,869 18.417,870 10.567,871 7.514,872 3.26,874 2.943,875 1.401,876 0.959,877 8.582,878 10.291,879 3.932,880 4.516,881 4.972,882 5.451,883 5.988,884 6.139,885 6.406,886 6.618,887 6.861,888 6.995,889 0.9,890 49,891 12.802,893 5.62,894 8.11,895 23.353,897 18.752,899 2.61,900 88.75,904 258.964,905 166.805,906 51.201,908 137.286,910 5.807,911 160.998,912 396.25,913 51.201,914 8.825,915 24.757,916 126.451,917 183.228,918 35.573,920 235.422,922 258.964,923 212.199,924 137.286,925 5.807,927 235.422,928 160.828,931 68.082,932 117.856,933 32.069,935 258.964,936 188.487,937 166.805,939 5.807,940 258.964,941 29.839,942 131.159,943 34.416,944 154.072,945 258.964,946 188.487,947 166.805,949 0.579,950 0.313,951 0.155,952 0.092,953 20,954 10,955 0.164,956 10,958 1,959 4.489,960 293.472,962 18,963 162.974,967 1,968 25.161,969 11.597,970 7.537,972 188.487,973 20.798,974 4.092,978 3.559,980 77.099,981 614.257,982 50,986 -3.582,987 47.793,989 1.338,991 -1.078,994 59.738,995 66.029,996 0.284,997 0.649,998 0.819,999 0.898,1000 0.917,1001 0.917,1002 5.15,1003 1.652,1004 5.953,1005 4.974,1006 4.595,1007 5.204,1008 2.513,1009 6.744,1010 4.549,1011 6.378,1012 1.498,1013 7.51,1014 4.758,1015 4.29,1016 5.173,1017 2.243,1018 7.881,1019 4.19,1020 7.707,1021 1.137,1022 9.184,1023 3.427,1024 6.213,1025 7.449,1026 3.759,1027 10.876,1028 6.093,1029 9.077,1030 1,1031 10.934,1032 2.552,1033 6.723,1034 8.24,1035 4.173,1036 12.901,1037 6.516,1038 10.485,1039 1,1040 12.738,1041 2.275,1042 8.164,1043 10.044,1044 5.307,1045 15.518,1046 7.933,1047 11.92,1048 1,1049 14.581,1050 2.275,1051 9.044,1052 11.215,1053 5.987,1054 17.857,1055 8.709,1056 13.377,1057 0.853,1058 16.455,1059 2.165,1060 10.313,1061 12.844,1062 6.97,1063 20.382,1064 9.936,1065 3.374,1066 0.428,1067 18.352,1068 2.136,1069 11.365,1070 14.202,1071 7.754,1072 22.827,1073 10.885,1074 3.033,1075 12.404,1076 20.267,1077 0.938,1078 12.575,1079 15.765,1080 8.672,1081 25.331,1082 12.035,1083 2.527,1084 10.25,1085 22.195,1086 4.697,1087 13.706,1088 17.214,1089 9.501,1090 27.814,1091 13.067,1092 2.399,1093 7.112,1094 24.135,1095 3.99,1096 14.9,1097 18.755,1098 10.39,1099 30.317,1100 14.188,1101 2.371,1102 6.321,1103 26.082,1104 3.476,1105 16.068,1106 20.249,1107 11.239,1108 32.815,1109 15.261,1110 2.133,1111 6.204,1112 28.037,1113 3.393,1114 17.261,1115 21.784,1116 12.115,1117 35.32,1118 16.373,1119 2.037,1120 6.068,1121 29.996,1122 3.035,1123 18.446,1124 23.301,1125 12.973,1126 37.826,1127 17.466,1128 17202,1129 31312,1130 23.345,1131 40.313,1132 53.614,1133 55.334,1134 54.326,1135 52.897,1136 52.882,1137 71.849,1138 7.152,1139 147.716,1140 51.76,1141 5.744,1142 6.683,1143 7.095,1144 5.334,1145 5.374,1146 7.697,1147 3.989,1148 19.555,1149 5.066,1150 19.856,1151 1.489,1152 1.537,1153 1.509,1154 1.469,1155 1.469,1156 1.996,1157 0.199,1158 4.103,1159 1.438,1160 4.089,1161 4.082,1162 4.735,1163 4.071,1164 7.717,1165 3.997,1166 3.992,1167 4.005,1168 3.957,1169 3.946,1170 7.475,1171 3.931,1172 3.82,1173 3.859,1174 3.752,1175 3.735,1176 7.429,1177 3.734,1178 3.69,1179 3.713,1180 3.724,1181 3.607,1182 6.999,1183 3.543,1184 3.657,1185 3.684,1186 3.592,1187 3.438,1188 6.351,1189 3.462,1190 3.433,1191 3.452,1192 3.367,1193 3.274,1194 4.92,1195 3.28,1196 3.288,1197 3.322,1198 3.184,1199 3.105,1200 4.723,1201 3.106,1202 3.043,1203 3.115,1204 2.891,1205 2.86,1206 4.698,1207 2.835,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.066,1217 7.293,1218 0.345,1219 4.292,1220 0.085,1221 3.374,1222 4.697,1223 2.375,1224 12.404,1225 3.066,1226 1.992,1227 1.984,1228 2.082,1229 2.067,1230 1.272,1231 2.092,1232 1.965,1233 1.955,1234 2.025,1235 2.03,1236 1.191,1237 2.053,1238 1.809,1239 1.775,1240 1.934,1241 1.924,1242 1.063,1243 1.932,1244 1.59,1245 1.576,1246 1.735,1247 1.821,1248 0.879,1249 1.797,1250 1.538,1251 1.511,1252 1.683,1253 1.743,1254 0.816,1255 1.767,1256 1.367,1257 1.341,1258 1.526,1259 1.543,1260 0.721,1261 1.559,1262 1.235,1263 1.194,1264 1.45,1265 1.449,1266 0.534,1267 1.453,1268 1.015,1269 0.956,1270 1.181,1271 1.263,1272 0.354,1273 1.305,1274 4.29,1276 5.595,1278 7.081,1280 8.647,1282 10.257,1284 1.894,1289 8.77,1290 0.238,1291 4.929,1300 38.62,1301 98.519,1302 225.222,1303 284.347,1304 311.566,1305 318.321,1306 318.321,1307 97.795,1308 7.348,1309 125.46,1310 133.84,1311 18,1312 12.477,1313 4.585,1314 3.907,1315 67.539,1316 176,1317 180,1318 0.184,1319 244.765,1320 435.06,1321 588.987,1322 15738,1324 24.554,1325 0.722,1326 0.57,1327 24.804,1328 19.379,1329 16.242,1330 0.451,1331 0.333,1332 10.521,1333 14.917,1334 10.126,1335 8.44,1336 17.063,1337 12.001,1338 14.992,1339 0.306,1340 0.191,1341 16.316,1342 9.336,1343 11.218,1344 0.193,1345 0.111,1346 12.326,1347 6.441,1348 8.53,1349 0.124,1350 0.061,1351 9.384,1352 4.214,1353 7.053,1354 0.082,1355 0.035,1356 7.769,1357 3.01,1358 0.297,1359 109.776,1360 0.207,1361 32.103,1362 0.48,1363 170,1364 566.263,1365 222.326,1366 567.689,1367 745.7,1368 520,1369 192,1370 494.646,1371 248.653,1372 539.552,1373 771.64,1374 504,1375 4.824} {0 CHEMBL129000,1 1.592,2 14.975,3 6.972,4 48.602,5 160.24,6 8.101,7 0.558,8 4.334,9 4.428,10 4.074,11 3.978,12 5.437,13 3.921,14 4.854,15 4.996,16 4.378,17 4.36,18 6.117,19 4.274,20 5.139,21 5.322,22 4.44,23 4.522,24 6.201,25 4.397,26 5.244,27 5.445,28 4.396,29 4.514,30 6.343,31 4.391,32 5.242,33 5.442,34 4.499,35 4.563,36 6.33,37 4.445,38 5.314,39 5.519,40 4.533,41 4.634,42 6.439,43 4.511,44 5.344,45 5.568,46 4.409,47 4.628,48 6.382,49 4.496,50 5.275,51 5.495,52 4.345,53 4.552,54 6.341,55 4.421,56 0.088,57 0.929,58 15.61,59 7.037,60 21.515,61 8.389,62 0.408,63 1.526,64 25.785,65 11.541,66 73.955,67 14.39,68 0.296,69 1.981,70 45.46,71 17.361,72 69.897,73 20.621,74 0.548,75 2.146,76 49.881,77 18.172,78 115.598,79 21.429,80 0.467,81 2.178,82 48.527,83 18.009,84 95.758,85 21.672,86 0.566,87 2.323,88 51.417,89 19.69,90 104.917,91 24.501,92 0.401,93 2.349,94 50.568,95 20.402,96 93.165,97 26.276,98 0.371,99 2.135,100 48.294,101 18.75,102 84.39,103 24.472,104 31,105 58,106 0.245,107 0.536,108 0.718,109 0.844,110 0.865,111 0.865,112 3.717,113 1.037,114 -5.66,115 -5.53,116 -5.16,118 45.1,120 4,124 2,133 1,134 1,140 15,141 4,142 2,143 2,154 1,163 1,167 1,168 23,169 1,171 3,172 5,175 1,177 1,180 28,181 1,186 12,191 1,194 25,195 1,198 17,203 1,206 17,207 1,210 13,215 1,218 22,219 1,222 16,227 1,229 28,230 2,234 11,239 2,242 30,243 3,247 8,248 1,252 3,255 29,256 3,258 1,259 7,262 1,264 3,267 21,268 1,270 3400,271 26.876,272 26.876,273 26.876,274 26.876,275 26.876,276 23.269,277 19.952,278 16.287,279 27.28,280 21.246,281 21.246,282 21.246,283 21.246,284 21.246,285 15.931,286 17.937,287 7.782,288 21.964,289 4.557,290 2.668,291 1.488,292 0.669,293 0.535,294 0.535,295 4.41,297 1,301 1267,302 5,306 663.693,313 2.033,314 46.456,317 0.5,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.6,325 85.333,326 599,327 4.932,328 4.726,329 7.668,330 4.436,331 3.513,332 4.759,333 2.341,334 13.623,335 3.216,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.657,343 10.18,344 3.011,345 3.927,346 3.04,347 5.679,348 3.55,349 2.57,350 3.474,352 7.45,353 2.523,354 3.9,355 2.926,356 5.41,357 3.502,358 2.505,359 3.458,361 7.093,362 2.494,363 3.835,364 2.853,365 5.269,366 3.332,367 2.402,368 3.394,370 6.476,371 2.219,372 3.556,373 2.686,374 5.133,375 3.237,376 2.232,377 2.923,379 6.131,380 2.204,381 3.531,382 2.286,383 4.982,384 3.114,385 2.131,386 2.709,388 5.562,389 2.093,390 3.191,391 2.156,392 4.659,393 2.822,394 1.901,395 2.391,397 5.184,398 1.705,399 3.046,400 1.903,401 4.22,402 2.613,403 1.623,404 2.224,406 3.857,407 1.598,408 2.939,409 1.591,410 4.138,411 2.459,412 1.475,413 2.1,415 3.711,416 1.431,417 2.722,418 1.501,419 3.589,420 2.381,421 1.4,422 1.753,424 2.986,425 1.367,426 2.644,427 1.415,428 3.564,429 2.238,430 1.272,431 1.63,433 2.945,434 1.209,435 2.5,436 1.131,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.5,454 1,455 3.316,456 2,457 1,458 1.5,460 2.136,461 1,462 19.681,463 0.492,464 0.933,465 0.023,466 53.75,467 1.344,468 30,469 0.75,470 23.75,471 0.594,472 35.954,473 0.899,474 42.119,475 0.593,476 47.285,477 1.182,478 10.596,479 0.265,480 8.729,481 0.218,482 0.104,483 0.042,484 0.224,487 0.556,488 1.177,489 0.73,490 1.077,491 0.664,492 0.915,493 0.529,494 1.05,495 0.794,496 0.943,497 0.489,498 0.991,499 0.894,500 1.154,501 1.181,502 1.205,503 0.842,504 1.075,505 1.284,506 1.048,507 1.102,508 1.04,509 1.349,510 1.021,511 1.051,512 1.014,513 0.834,514 0.938,515 1.103,516 0.967,517 0.73,518 1.026,519 0.906,520 1.066,521 0.77,522 1.037,523 0.757,524 0.972,525 0.797,526 0.953,527 0.82,528 0.992,529 0.813,530 1.001,531 0.903,532 0.972,533 0.792,534 1.044,535 8,536 0.375,537 4.667,538 2.5,539 1.827,540 1.257,541 0.972,542 0.684,543 0.414,544 0.393,545 26575,546 80729,547 2.044,548 43.7,549 4,550 20,552 2,553 1,554 2,555 2,558 1.803,559 1.928,560 3.812,561 -0.417,567 113.052,568 1.592,569 3.482,570 4.662,571 5.481,572 5.615,573 5.615,574 3.176,575 4.634,576 5.292,577 4.043,578 3153.35,579 9.358,580 56706.7,585 436.632,586 1.416,587 5.254,588 0.186,589 0.009,590 0.08,591 0.042,592 0.032,593 0.02,594 0.015,595 0.011,596 0.007,597 0.008,598 0.411,599 0.17,600 0.63,601 1.173,602 227.723,603 0.059,604 -0.081,605 0.124,606 -0.034,607 -0.1,608 0.027,609 0.24,610 0.029,611 0.026,612 0.014,613 0.226,614 -0.057,615 -0.064,616 -0.119,617 -0.102,618 -0.111,619 -0.026,620 -0.076,621 -0.174,622 -0.032,623 -0.113,624 -0.019,625 -0.154,626 -0.049,627 -0.103,628 0.012,629 0.035,630 0.052,631 -0.09,632 0.003,633 0.075,634 -0.019,635 0.003,636 -0.069,637 0.066,638 -0.045,639 -0.019,640 -0.01,641 0.01,642 -0.003,643 -0.015,644 0.013,645 -0.028,646 -0.064,647 -0.03,648 -0.055,649 -0.019,650 -0.042,651 4.663,652 6.57,653 0.6,654 51.45,655 1.002,656 1.112,657 4.431,658 19.633,659 0.701,660 3.784,661 4.078,662 4.29,663 4.477,664 4.7,665 4.727,666 4.828,667 4.905,668 4.977,669 5.043,670 8.947,671 0.659,672 575.17,673 3.784,674 5.313,675 6.138,676 6.995,677 7.842,678 8.707,679 9.565,680 10.435,681 11.3,682 12.174,683 2.8,686 1,693 1,699 17,700 1,704 6,706 24,723 1,724 71,726 28,727 3,728 43,730 74,731 32,733 23,734 5,735 13,736 2,739 4,740 4,741 1,751 4,753 26,754 6,756 4,760 1,761 3,763 1,765 2,772 31,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 4,818 1,822 1,823 1,830 1,832 4,834 1,837 1,840 40,844 1,845 1,846 6,851 1,861 1,862 5.6,864 1,865 3,869 20.75,870 12.41,871 8.889,872 4.202,874 3.016,875 1.389,876 0.973,877 10.401,878 10.778,879 4.094,880 4.673,881 5.159,882 5.637,883 6.152,884 6.261,885 6.555,886 6.782,887 7.071,888 7.345,889 0.9,890 60,891 15.085,893 6.614,894 7.884,895 28.188,897 23.094,899 2.384,900 95.361,904 353.133,905 211.761,906 18.304,907 39.149,908 112.141,910 5.807,911 205.953,912 504.423,913 18.304,915 14.35,916 157.427,917 153.379,918 40.593,920 329.591,921 39.149,922 353.133,923 224.258,924 112.141,925 44.956,927 329.591,928 135.683,931 33.963,932 164.033,933 71.218,935 353.133,936 130.445,937 250.91,939 5.807,940 353.133,941 36.239,942 171.233,944 168.075,945 353.133,946 130.445,947 250.91,949 0.573,950 0.319,951 0.163,952 0.092,953 24,954 11,955 0.176,956 13,958 1,959 4.95,960 381.498,962 24,963 198.877,967 1,968 29.387,969 14.157,970 8.449,972 130.445,973 31.185,974 4.236,978 4.539,980 42.683,981 734.488,982 59,986 -3.746,987 38.051,989 2.051,991 0.182,994 71.167,995 78.926,996 0.259,997 0.566,998 0.758,999 0.891,1000 0.913,1001 0.913,1002 5.308,1003 1.901,1004 6.12,1005 5.562,1006 4.762,1007 5.361,1008 2.344,1009 6.921,1010 4.696,1011 6.519,1012 1.623,1013 7.679,1014 5.184,1015 4.369,1016 5.215,1017 2.243,1018 8.072,1019 4.202,1020 7.836,1021 1.475,1022 9.363,1023 3.857,1024 6.372,1025 7.582,1026 3.638,1027 11.143,1028 6.223,1029 9.198,1030 1.4,1031 11.132,1032 3.711,1033 6.858,1034 8.306,1035 4.112,1036 13.255,1037 6.588,1038 10.601,1039 1.272,1040 12.964,1041 2.986,1042 8.344,1043 10.163,1044 5.202,1045 15.957,1046 8.074,1047 12.036,1048 1,1049 14.843,1050 2.945,1051 9.24,1052 11.302,1053 5.889,1054 18.401,1055 8.846,1056 13.498,1057 1,1058 16.758,1059 2.275,1060 10.543,1061 12.961,1062 6.849,1063 21.023,1064 10.116,1065 3.513,1066 1,1067 18.7,1068 2.275,1069 11.631,1070 14.309,1071 7.625,1072 23.574,1073 11.086,1074 3.016,1075 13.623,1076 20.663,1077 2.136,1078 12.876,1079 15.891,1080 8.526,1081 26.181,1082 12.272,1083 2.57,1084 10.18,1085 22.642,1086 4.759,1087 14.05,1088 17.344,1089 9.342,1090 28.768,1091 13.336,1092 2.505,1093 7.45,1094 24.634,1095 3.968,1096 15.283,1097 18.9,1098 10.216,1099 31.374,1100 14.491,1101 2.402,1102 7.093,1103 26.635,1104 3.474,1105 16.495,1106 20.404,1107 11.051,1108 33.974,1109 15.6,1110 2.232,1111 6.476,1112 28.644,1113 3.458,1114 17.731,1115 21.953,1116 11.912,1117 36.582,1118 16.747,1119 2.131,1120 6.131,1121 30.658,1122 3.394,1123 18.961,1124 23.483,1125 12.755,1126 39.188,1127 17.878,1128 25633,1129 44888,1130 28.602,1131 49.756,1132 63.712,1133 65.02,1134 64.456,1135 63.515,1136 63.196,1137 85.342,1138 5.996,1139 175.465,1140 61.116,1141 5.836,1142 6.726,1143 7.469,1144 5.491,1145 5.513,1146 7.759,1147 3.925,1148 21.622,1149 5.216,1150 19.983,1151 1.482,1152 1.512,1153 1.499,1154 1.477,1155 1.47,1156 1.985,1157 0.139,1158 4.081,1159 1.421,1160 4.11,1161 4.105,1162 4.743,1163 4.088,1164 7.715,1165 4.014,1166 3.993,1167 4.008,1168 3.957,1169 3.95,1170 7.474,1171 3.933,1172 3.887,1173 3.914,1174 3.926,1175 3.835,1176 6.999,1177 3.825,1178 3.818,1179 3.856,1180 3.819,1181 3.737,1182 6.351,1183 3.734,1184 3.698,1185 3.743,1186 3.746,1187 3.587,1188 4.938,1189 3.552,1190 3.654,1191 3.665,1192 3.58,1193 3.548,1194 4.913,1195 3.519,1196 3.423,1197 3.442,1198 3.354,1199 3.293,1200 4.754,1201 3.283,1202 3.282,1203 3.308,1204 3.22,1205 3.119,1206 4.714,1207 3.105,1208 0.115,1209 0.11,1210 0.178,1211 0.103,1212 0.082,1213 4.932,1214 0.111,1215 4.726,1216 0.054,1217 7.668,1218 0.317,1219 4.436,1220 0.075,1221 3.513,1222 4.759,1223 2.341,1224 13.623,1225 3.216,1226 1.999,1227 1.99,1228 2.095,1229 2.077,1230 1.318,1231 2.103,1232 1.964,1233 1.956,1234 2.04,1235 2.036,1236 1.268,1237 2.057,1238 1.892,1239 1.868,1240 1.96,1241 1.961,1242 1.169,1243 1.985,1244 1.811,1245 1.777,1246 1.946,1247 1.919,1248 1.109,1249 1.931,1250 1.68,1251 1.631,1252 1.889,1253 1.856,1254 1.025,1255 1.868,1256 1.559,1257 1.546,1258 1.708,1259 1.719,1260 0.88,1261 1.741,1262 1.357,1263 1.339,1264 1.521,1265 1.542,1266 0.7,1267 1.543,1268 1.212,1269 1.187,1270 1.418,1271 1.402,1272 0.632,1273 1.435,1274 4.466,1276 5.765,1278 7.258,1280 8.836,1282 10.461,1285 5.995,1289 8.964,1290 2.401,1295 1.503,1300 46.819,1301 113.052,1302 247.196,1303 331.009,1304 389.122,1305 398.632,1306 398.632,1307 105.004,1308 7.761,1309 87.57,1310 95.95,1311 24,1312 12.716,1313 4.858,1314 4.087,1315 73.098,1316 218,1317 218,1318 0.161,1319 296.206,1320 523.04,1321 714.502,1322 25232,1323 1.4,1324 28.374,1325 0.709,1326 0.589,1327 29.124,1328 23.56,1329 19.325,1330 0.449,1331 0.346,1332 13.095,1333 17.807,1334 12.643,1335 10.487,1336 20.402,1337 14.859,1338 17.313,1339 0.299,1340 0.202,1341 19.04,1342 11.745,1343 13.707,1344 0.19,1345 0.119,1346 15.324,1347 8.595,1348 10.649,1349 0.122,1350 0.068,1351 11.901,1352 5.911,1353 8.682,1354 0.08,1355 0.04,1356 9.946,1357 4.392,1358 0.257,1359 130.217,1360 0.187,1361 36.221,1362 0.428,1363 202,1364 593.71,1365 269.945,1366 631.926,1367 836.55,1368 582,1369 231,1370 545.676,1371 299.589,1372 605.291,1373 871.98,1374 568,1375 7.367} {0 CHEMBL129030,1 1.659,2 15.294,3 4.456,4 19.854,5 137.052,6 8.034,7 0.5,8 4.193,9 4.299,10 3.94,11 3.815,12 5.268,13 3.752,14 4.719,15 4.878,16 4.204,17 4.183,18 5.962,19 4.093,20 4.98,21 5.179,22 4.245,23 4.324,24 6.068,25 4.201,26 5.025,27 5.223,28 4.132,29 4.289,30 6.145,31 4.164,32 5.027,33 5.252,34 4.164,35 4.285,36 6.054,37 4.15,38 5.027,39 5.262,40 4.177,41 4.289,42 6.083,43 4.145,44 4.996,45 5.239,46 3.996,47 4.232,48 5.974,49 4.086,50 4.894,51 5.122,52 3.974,53 4.143,54 5.935,55 4.019,56 0.087,57 0.87,58 14.469,59 6.089,60 18.246,61 7.439,62 0.375,63 1.369,64 24.467,65 10.147,66 61.766,67 12.838,68 0.312,69 1.67,70 39.285,71 14.377,72 65.334,73 17.564,74 0.455,75 1.706,76 40.38,77 14.345,78 94.332,79 17.292,80 0.411,81 1.725,82 39.247,83 14.001,84 79.459,85 17.869,86 0.457,87 1.731,88 39.996,89 14.528,90 76.578,91 19.124,92 0.303,93 1.649,94 37.718,95 14.219,96 62.819,97 18.762,98 0.258,99 1.488,100 32.527,101 12.283,102 55.743,103 16.325,104 32,105 48,106 0.265,107 0.584,108 0.764,109 0.859,110 0.866,111 0.866,112 3.56,113 1.076,114 -4.31,115 -4.24,116 -4.01,118 41.9,120 4,123 1,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,168 17,171 1,172 3,175 3,177 2,180 22,186 7,191 4,194 22,198 9,203 5,206 16,210 6,215 3,218 17,222 10,227 3,229 16,234 8,239 3,242 13,247 6,252 5,255 12,258 1,259 5,262 1,264 5,267 8,270 2348,271 22.791,272 22.791,273 22.791,274 22.791,275 22.791,276 19.965,277 15.179,278 13.715,279 23.217,280 17.687,281 17.687,282 17.687,283 17.687,284 17.687,285 13.373,286 7.88,287 6.432,288 18.362,289 4.296,290 2.293,291 1.165,292 0.573,293 0.528,294 0.528,295 4.241,297 1,300 1,301 1082,302 4.743,306 419.268,313 2.336,314 37.556,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 72.833,326 520,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.907,334 12.404,335 3.063,336 4.38,337 3.568,338 6.5,339 4.014,340 3.016,341 3.968,342 0.149,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.358,358 2.399,359 3.393,361 6.321,362 2.362,363 3.64,364 2.7,365 5.128,366 3.311,367 2.344,368 2.922,370 6.124,371 2.159,372 3.535,373 2.184,374 4.988,375 3.112,376 2.125,377 2.809,379 5.892,380 2.094,381 3.086,382 1.933,383 4.73,384 2.649,385 1.676,386 2.292,388 4.759,389 1.636,390 3.047,391 1.869,392 4.153,393 2.572,394 1.619,395 2.225,397 3.833,398 1.466,399 2.725,400 1.501,401 3.593,402 2.398,403 1.421,404 1.756,406 2.991,407 1.385,408 2.5,409 1.307,410 3.526,411 2.102,412 1.135,413 1.5,415 2.527,416 1.091,417 2.5,418 1.151,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1.051,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.318,436 1,437 3.342,438 1.957,439 1,440 1.281,442 2.136,443 0.954,444 2.208,445 1,446 3.247,447 1.87,448 0.887,449 1.106,451 2.069,452 0.87,453 1.512,454 1,455 2.968,456 1.368,457 0.409,458 0.436,460 0.722,461 0.39,462 16.748,463 0.493,464 0.786,465 0.023,466 44.25,467 1.301,468 24,469 0.706,470 20.25,471 0.596,472 28.991,473 0.853,474 36.652,475 0.591,476 36.044,477 1.06,478 8.668,479 0.255,480 7.718,481 0.227,482 0.132,483 0.05,484 0.209,487 0.526,488 1.243,489 0.741,490 1.121,491 0.614,492 0.944,493 0.588,494 1.022,495 0.817,496 0.951,497 0.547,498 0.979,499 0.974,500 1.034,501 1.065,502 1.08,503 0.937,504 1.004,505 1.319,506 1.074,507 1.123,508 1.097,509 1.411,510 1.095,511 0.986,512 0.985,513 0.703,514 0.858,515 1.078,516 0.986,517 0.5,518 0.998,519 0.779,520 1.012,521 0.488,522 1.018,523 0.708,524 0.971,525 0.781,526 0.945,527 0.724,528 0.981,529 0.808,530 1.071,531 0.779,532 0.943,533 0.799,534 1.013,535 7,536 0.285,537 4.222,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 17958,546 55967,547 2.004,548 45.2,549 4,550 16,552 2,553 2,554 2,555 2,558 1.758,559 1.88,560 3.845,561 0.177,567 102.833,568 1.659,569 3.661,570 4.789,571 5.381,572 5.426,573 5.426,574 3.366,575 4.477,576 5.055,577 4.06,578 2277.85,579 8.856,580 37496.6,585 369.16,586 1.455,587 5.013,588 0.194,589 0.009,590 0.088,591 0.04,592 0.025,593 0.021,594 0.015,595 0.013,596 0.008,597 0.007,598 0.42,599 0.17,600 0.75,601 1.454,602 186.84,603 0.069,604 -0.068,605 0.132,606 -0.04,607 -0.101,608 0.028,609 0.217,610 0.077,611 0.015,612 0.025,613 0.205,614 -0.026,615 -0.081,616 -0.024,617 -0.057,618 -0.029,619 -0.025,620 -0.005,621 -0.203,622 -0.081,623 -0.185,624 -0.096,625 -0.173,626 -0.127,627 -0.097,628 -0.005,629 0.052,630 0.056,631 -0.124,632 -0.016,633 0.177,634 -0.023,635 0.083,636 -0.051,637 0.142,638 -0.012,639 0.001,640 -0.027,641 0.023,642 -0.005,643 0.006,644 0.027,645 -0.018,646 -0.124,647 0.009,648 -0.05,649 -0.007,650 -0.026,651 4.496,652 5.428,653 0.529,654 45.059,655 1.003,656 1.119,657 3.079,658 9.48,659 0.69,660 3.611,661 3.892,662 4.078,663 4.22,664 4.407,665 4.431,666 4.477,667 4.511,668 4.554,669 4.615,670 8.821,671 0.646,672 498.09,673 3.611,674 5.13,675 5.943,676 6.79,677 7.622,678 8.476,679 9.316,680 10.175,681 11.019,682 11.88,683 4.8,685 1,690 1,693 1,699 12,700 1,704 5,706 18,723 1,724 62,726 22,727 2,728 36,730 64,731 26,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 28,773 6,774 2,775 8,776 2,779 3,784 1,785 3,795 1,802 3,816 1,822 1,823 1,832 3,834 1,836 1,837 1,840 34,844 1,846 5,847 2,861 1,862 4.8,865 3,869 18.083,870 11.093,871 7.681,872 3.662,874 2.912,875 1.396,876 0.974,877 9.553,878 10.26,879 3.912,880 4.483,881 4.951,882 5.411,883 5.913,884 6.06,885 6.316,886 6.469,887 6.707,888 6.986,889 1,890 49,891 12.782,893 5.506,894 7.888,895 23.918,897 19.271,899 2.388,900 81.194,904 306.049,905 171.279,906 51.201,907 39.149,908 69.458,910 5.807,911 165.472,912 414.655,913 51.201,914 8.396,915 30.255,916 126.451,917 114.49,918 35.888,920 282.506,921 39.149,922 306.049,923 216.673,924 69.458,925 44.956,927 282.506,928 93,931 64.754,932 125.657,933 71.218,935 306.049,936 120.659,937 210.428,939 5.807,940 306.049,941 34.742,942 130.73,943 34.416,944 125.392,945 306.049,946 120.659,947 210.428,949 0.571,950 0.321,951 0.154,952 0.083,953 19,954 9,955 0.172,956 11,958 1,959 4.56,960 289.175,962 18,963 162.974,967 1,968 25.798,969 12.59,970 7.881,972 120.659,973 21.613,974 4.234,978 3.747,980 34.416,981 637.136,982 49,986 -3.579,987 36.342,989 2.134,991 1.09,994 62.174,995 69.385,996 0.279,997 0.615,998 0.804,999 0.904,1000 0.911,1001 0.911,1002 5.121,1003 1.619,1004 5.927,1005 4.759,1006 4.575,1007 5.17,1008 1.953,1009 6.711,1010 4.504,1011 6.335,1012 1.421,1013 7.479,1014 3.833,1015 4.205,1016 5.103,1017 1.593,1018 7.854,1019 4.037,1020 7.658,1021 1.135,1022 9.152,1023 2.991,1024 6.184,1025 7.414,1026 2.904,1027 10.849,1028 6.029,1029 9.028,1030 1,1031 10.904,1032 2.527,1033 6.673,1034 8.202,1035 3.032,1036 12.888,1037 6.403,1038 10.437,1039 1,1040 12.711,1041 2.275,1042 8.136,1043 10.018,1044 4.037,1045 15.502,1046 7.864,1047 11.875,1048 1,1049 14.559,1050 2.275,1051 9.012,1052 11.192,1053 4.409,1054 17.847,1055 8.623,1056 13.337,1057 0.887,1058 16.437,1059 2.136,1060 10.288,1061 12.826,1062 5.25,1063 20.37,1064 9.87,1065 3.374,1066 0.409,1067 18.337,1068 2.069,1069 11.342,1070 14.186,1071 5.75,1072 22.817,1073 10.813,1074 3.016,1075 12.404,1076 20.254,1077 0.722,1078 12.554,1079 15.752,1080 6.501,1081 25.322,1082 11.973,1083 2.52,1084 10.18,1085 22.185,1086 4.697,1087 13.687,1088 17.203,1089 7.068,1090 27.806,1091 13.002,1092 2.399,1093 7.106,1094 24.126,1095 3.968,1096 14.882,1097 18.744,1098 7.771,1099 30.309,1100 14.128,1101 2.344,1102 6.321,1103 26.074,1104 3.471,1105 16.051,1106 20.24,1107 8.374,1108 32.808,1109 15.199,1110 2.125,1111 6.124,1112 28.029,1113 3.393,1114 17.245,1115 21.776,1116 9.051,1117 35.315,1118 16.312,1119 1.676,1120 5.892,1121 29.99,1122 2.922,1123 18.431,1124 23.294,1125 9.674,1126 37.821,1127 17.403,1128 17648,1129 31414,1130 23.633,1131 42.784,1132 52.243,1133 54.607,1134 53.926,1135 52.283,1136 52.03,1137 69.919,1138 4.112,1139 143.55,1140 50.162,1141 5.744,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.306,1148 19.555,1149 5.063,1150 18.35,1151 1.451,1152 1.517,1153 1.498,1154 1.452,1155 1.445,1156 1.942,1157 0.114,1158 3.987,1159 1.393,1160 4.085,1161 4.078,1162 4.736,1163 4.069,1164 7.717,1165 3.993,1166 3.993,1167 4.003,1168 3.955,1169 3.95,1170 7.429,1171 3.93,1172 3.819,1173 3.858,1174 3.923,1175 3.737,1176 6.999,1177 3.735,1178 3.725,1179 3.779,1180 3.747,1181 3.582,1182 4.937,1183 3.568,1184 3.652,1185 3.663,1186 3.614,1187 3.563,1188 4.913,1189 3.51,1190 3.479,1191 3.538,1192 3.379,1193 3.323,1194 4.719,1195 3.32,1196 3.319,1197 3.366,1198 3.208,1199 3.153,1200 4.271,1201 3.138,1202 3.142,1203 3.216,1204 3.133,1205 2.965,1206 4.258,1207 2.949,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.053,1217 7.293,1218 0.345,1219 4.291,1220 0.085,1221 3.374,1222 4.697,1223 1.907,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.094,1229 2.067,1230 1.302,1231 2.087,1232 1.949,1233 1.951,1234 1.967,1235 2.012,1236 1.237,1237 2.046,1238 1.813,1239 1.778,1240 1.947,1241 1.922,1242 1.147,1243 1.936,1244 1.697,1245 1.645,1246 1.898,1247 1.887,1248 1.03,1249 1.892,1250 1.544,1251 1.531,1252 1.714,1253 1.722,1254 0.866,1255 1.743,1256 1.42,1257 1.377,1258 1.671,1259 1.657,1260 0.731,1261 1.676,1262 1.275,1263 1.235,1264 1.47,1265 1.442,1266 0.616,1267 1.485,1268 1.145,1269 1.071,1270 1.197,1271 1.346,1272 0.519,1273 1.387,1274 4.29,1276 5.58,1278 7.06,1280 8.624,1282 10.23,1284 1.642,1285 5.835,1290 2.861,1291 5.274,1300 40.072,1301 102.833,1302 226.975,1303 296.921,1304 333.65,1305 336.405,1306 336.405,1307 89.319,1308 7.348,1309 88.16,1310 96.54,1311 18,1312 12.434,1313 4.524,1314 3.807,1315 67.553,1316 180,1317 180,1318 0.178,1319 257.625,1320 452.63,1321 620.365,1322 15984,1323 1.6,1324 24.391,1325 0.717,1326 0.605,1327 25.141,1328 20.572,1329 16.386,1330 0.455,1331 0.359,1332 11.103,1333 14.882,1334 10.661,1335 8.886,1336 17.496,1337 12.907,1338 14.478,1339 0.302,1340 0.207,1341 16.21,1342 9.927,1343 11.488,1344 0.198,1345 0.121,1346 12.884,1347 7.031,1348 8.493,1349 0.127,1350 0.069,1351 9.514,1352 4.594,1353 6.658,1354 0.082,1355 0.041,1356 7.617,1357 3.286,1358 0.29,1359 112.765,1360 0.206,1361 32.262,1362 0.463,1363 168,1364 504.581,1365 231.084,1366 543.328,1367 715.74,1368 500,1369 190,1370 458.56,1371 253.143,1372 514.113,1373 736.74,1374 482,1375 6.602} {0 CHEMBL129355,1 1.659,2 14.706,3 5.388,4 29.031,5 135.628,6 8.181,7 0.5,8 4.182,9 4.276,10 3.941,11 3.804,12 5.292,13 3.747,14 4.706,15 4.856,16 4.243,17 4.183,18 6.002,19 4.098,20 4.973,21 5.151,22 4.286,23 4.35,24 6.09,25 4.228,26 5.087,27 5.286,28 4.173,29 4.326,30 6.227,31 4.206,32 5.05,33 5.263,34 4.215,35 4.327,36 6.11,37 4.201,38 5.068,39 5.291,40 4.22,41 4.345,42 6.142,43 4.204,44 5.059,45 5.304,46 4.06,47 4.278,48 6.049,49 4.129,50 4.931,51 5.158,52 3.98,53 4.14,54 6.027,55 4.012,56 0.099,57 0.823,58 13.825,59 6.143,60 21.447,61 7.225,62 0.445,63 1.328,64 23.128,65 10.013,66 73.738,67 12.375,68 0.338,69 1.668,70 40.597,71 14.966,72 67.218,73 17.389,74 0.612,75 1.775,76 43.191,77 15.32,78 121.806,79 18.06,80 0.479,81 1.755,82 39.221,83 14.456,84 89.029,85 18.082,86 0.496,87 1.803,88 40.269,89 15.221,90 77.912,91 19.787,92 0.361,93 1.739,94 39.768,95 15.312,96 71.207,97 20.128,98 0.373,99 1.468,100 37.46,101 13.122,102 70.015,103 16.943,104 42,105 49,106 0.265,107 0.581,108 0.76,109 0.856,110 0.863,111 0.863,112 3.56,113 1.06,114 -4.71,115 -4.63,116 -4.35,118 42.6,120 4,123 1,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 3,172 4,175 1,177 1,180 22,181 1,186 10,191 1,194 22,195 1,198 13,203 1,206 16,207 1,210 8,215 1,218 17,219 1,222 12,227 1,229 16,230 2,234 9,239 2,242 13,243 3,247 8,248 1,252 3,255 12,256 3,258 1,259 7,262 1,264 3,267 8,268 1,270 2140,271 22.446,272 22.446,273 22.446,274 22.446,275 22.446,276 19.589,277 16.564,278 13.428,279 22.848,280 17.729,281 17.729,282 17.729,283 17.729,284 17.729,285 13.439,286 12.409,287 6.364,288 18.438,289 4.272,290 2.298,291 1.184,292 0.582,293 0.537,294 0.537,295 4.239,297 1,300 1,301 1040,302 4.848,306 417.906,313 2.17,314 42.441,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 73.333,326 500,327 4.924,328 4.723,329 7.64,330 4.417,331 3.496,332 4.755,333 2.341,334 13.429,335 3.193,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.4,343 10.18,344 3.011,345 3.911,346 3.04,347 5.507,348 3.521,349 2.528,350 3.471,352 7.133,353 2.514,354 3.85,355 2.904,356 5.398,357 3.351,358 2.428,359 3.408,361 6.552,362 2.219,363 3.556,364 2.725,365 5.133,366 3.237,367 2.232,368 2.923,370 6.131,371 2.215,372 3.531,373 2.379,374 4.977,375 3.115,376 2.132,377 2.709,379 5.445,380 2.093,381 3.166,382 2.16,383 4.659,384 2.795,385 1.885,386 2.366,388 5.184,389 1.669,390 3.046,391 1.902,392 4.162,393 2.61,394 1.621,395 2.224,397 3.832,398 1.583,399 2.724,400 1.523,401 4.084,402 2.381,403 1.401,404 1.754,406 3.49,407 1.367,408 2.677,409 1.462,410 3.564,411 2.264,412 1.309,413 1.649,415 2.946,416 1.225,417 2.5,418 1.132,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.311,438 1.957,439 1,440 1.5,442 2.136,443 0.954,444 2.233,445 1,446 3.247,447 1.865,448 0.872,449 1.118,451 2.065,452 0.862,453 1.644,454 0.79,455 3.14,456 1.458,457 0.478,458 0.532,460 1.094,461 0.466,462 16.681,463 0.491,464 0.903,465 0.027,466 44.25,467 1.301,468 24,469 0.706,470 20.25,471 0.596,472 29.544,473 0.869,474 36.719,475 0.602,476 37.083,477 1.091,478 8.672,479 0.255,480 7.597,481 0.223,482 0.153,483 0.05,484 0.234,487 0.563,488 1.258,489 0.731,490 1.131,491 0.673,492 0.946,493 0.535,494 0.984,495 0.758,496 0.881,497 0.482,498 0.933,499 0.905,500 1.145,501 1.23,502 1.251,503 0.839,504 1.081,505 1.294,506 1.023,507 1.093,508 1.027,509 1.395,510 1.05,511 0.926,512 0.998,513 0.703,514 0.857,515 0.995,516 0.996,517 0.478,518 1.063,519 0.799,520 1.055,521 0.478,522 1.088,523 0.619,524 0.984,525 0.732,526 0.933,527 0.634,528 0.986,529 0.896,530 1.005,531 0.972,532 0.989,533 0.823,534 1.032,535 7.5,536 0.318,537 4.667,538 2.188,539 1.436,540 1.028,541 0.748,542 0.538,543 0.332,544 0.308,545 17410,546 57449,547 1.987,548 44.3,549 4,550 16,552 2,553 1,554 2,555 2,558 1.758,559 1.846,560 3.8,561 -0.363,567 101.182,568 1.659,569 3.633,570 4.746,571 5.349,572 5.394,573 5.394,574 3.223,575 4.021,576 5.057,577 4.008,578 2248.67,579 8.86,580 36440.5,585 361.775,586 1.552,587 5.003,588 0.208,589 0.011,590 0.095,591 0.043,592 0.031,593 0.022,594 0.017,595 0.013,596 0.009,597 0.009,598 0.458,599 0.17,600 0.75,601 1.339,602 185.89,603 0.055,604 -0.114,605 0.13,606 -0.05,607 -0.106,608 0.018,609 0.239,610 0.12,611 0.065,612 0.089,613 0.239,614 0.012,615 -0.081,616 -0.1,617 -0.139,618 -0.126,619 -0.012,620 -0.072,621 -0.209,622 -0.037,623 -0.169,624 -0.039,625 -0.192,626 -0.082,627 -0.097,628 -0.007,629 0.038,630 0.052,631 -0.118,632 -0.025,633 0.142,634 -0.071,635 0.037,636 -0.105,637 0.1,638 -0.081,639 0.03,640 -0.036,641 0.066,642 -0.001,643 0.026,644 0.032,645 -0.037,646 -0.081,647 -0.039,648 -0.077,649 -0.003,650 -0.031,651 4.502,652 5.765,653 0.529,654 42.173,655 1.007,656 1.116,657 3.485,658 12.145,659 0.692,660 3.611,661 3.912,662 4.111,663 4.248,664 4.443,665 4.466,666 4.533,667 4.554,668 4.575,669 4.635,670 8.554,671 0.652,672 499.07,673 3.611,674 5.142,675 5.964,676 6.819,677 7.663,678 8.525,679 9.379,680 10.245,681 11.103,682 11.972,683 3.3,686 1,693 1,699 12,700 1,704 5,706 18,723 1,724 61,726 22,727 2,728 36,730 63,731 26,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 27,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 1,837 1,840 34,844 1,845 1,846 5,851 1,861 1,862 6.6,864 1,865 3,869 18.417,870 10.993,871 7.556,872 3.566,874 2.896,875 1.394,876 0.954,877 9.144,878 10.244,879 3.912,880 4.494,881 4.972,882 5.424,883 5.93,884 6.084,885 6.355,886 6.511,887 6.735,888 7.001,889 0.9,890 51,891 12.799,893 5.579,894 7.976,895 23.768,897 19.289,899 2.476,900 84.194,904 306.049,905 167.485,906 18.304,907 39.149,908 112.141,910 5.807,911 161.677,912 457.339,913 18.304,914 8.396,915 12.244,916 110.046,917 153.379,918 37.407,920 282.506,921 39.149,922 306.049,923 179.981,924 112.141,925 44.956,927 282.506,928 135.683,931 31.857,932 121.862,933 71.218,935 306.049,936 130.445,937 206.633,939 5.807,940 306.049,941 30.947,942 132.248,944 168.075,945 306.049,946 130.445,947 206.633,949 0.579,950 0.323,951 0.155,952 0.085,953 20,954 10,955 0.175,956 11,958 1,959 4.481,960 294.335,962 18,963 162.974,967 1,968 25.798,969 12.051,970 7.34,972 130.445,973 21.448,974 4.202,978 3.666,980 42.683,981 643.127,982 49,986 -3.586,987 36.34,989 2.043,991 0.191,994 61.4,995 68.096,996 0.28,997 0.613,998 0.8,999 0.902,1000 0.909,1001 0.909,1002 5.133,1003 1.621,1004 5.964,1005 5.184,1006 4.595,1007 5.182,1008 2.291,1009 6.777,1010 4.519,1011 6.356,1012 1.401,1013 7.54,1014 3.832,1015 4.29,1016 5.139,1017 2.243,1018 7.991,1019 4.108,1020 7.685,1021 1.309,1022 9.242,1023 3.49,1024 6.229,1025 7.43,1026 3.63,1027 11.039,1028 6.062,1029 9.062,1030 1,1031 11.028,1032 2.946,1033 6.781,1034 8.242,1035 4.112,1036 13.174,1037 6.492,1038 10.479,1039 1,1040 12.875,1041 2.275,1042 8.234,1043 10.053,1044 5.201,1045 15.863,1046 7.94,1047 11.928,1048 1,1049 14.766,1050 2.275,1051 9.17,1052 11.253,1053 5.889,1054 18.305,1055 8.754,1056 13.403,1057 0.872,1058 16.69,1059 2.136,1060 10.459,1061 12.89,1062 6.849,1063 20.913,1064 10.007,1065 3.496,1066 0.478,1067 18.639,1068 2.065,1069 11.565,1070 14.273,1071 7.625,1072 23.452,1073 10.999,1074 3.016,1075 13.429,1076 20.606,1077 1.094,1078 12.805,1079 15.846,1080 8.526,1081 26.044,1082 12.177,1083 2.528,1084 10.18,1085 22.588,1086 4.755,1087 13.985,1088 17.317,1089 9.342,1090 28.617,1091 13.251,1092 2.428,1093 7.133,1094 24.581,1095 3.968,1096 15.215,1097 18.87,1098 10.216,1099 31.207,1100 14.402,1101 2.232,1102 6.552,1103 26.582,1104 3.471,1105 16.428,1106 20.383,1107 11.051,1108 33.793,1109 15.514,1110 2.132,1111 6.131,1112 28.589,1113 3.408,1114 17.659,1115 21.931,1116 11.912,1117 36.386,1118 16.657,1119 1.885,1120 5.445,1121 30.602,1122 2.923,1123 18.888,1124 23.465,1125 12.755,1126 38.977,1127 17.786,1128 17136,1129 31327,1130 23.345,1131 42.233,1132 53.448,1133 54.756,1134 54.634,1135 53.373,1136 53.048,1137 71.033,1138 5.482,1139 148.901,1140 50.994,1141 5.824,1142 6.723,1143 7.442,1144 5.466,1145 5.496,1146 7.755,1147 3.925,1148 21.252,1149 5.193,1150 19.773,1151 1.485,1152 1.521,1153 1.518,1154 1.483,1155 1.474,1156 1.973,1157 0.152,1158 4.136,1159 1.416,1160 4.095,1161 4.086,1162 4.741,1163 4.077,1164 7.715,1165 4,1166 3.993,1167 4.005,1168 3.954,1169 3.95,1170 7.474,1171 3.932,1172 3.82,1173 3.858,1174 3.925,1175 3.737,1176 6.999,1177 3.735,1178 3.699,1179 3.743,1180 3.747,1181 3.597,1182 6.351,1183 3.556,1184 3.673,1185 3.695,1186 3.58,1187 3.549,1188 4.937,1189 3.531,1190 3.423,1191 3.442,1192 3.358,1193 3.294,1194 4.913,1195 3.283,1196 3.285,1197 3.309,1198 3.221,1199 3.116,1200 4.718,1201 3.102,1202 3.074,1203 3.149,1204 3.123,1205 2.865,1206 4.27,1207 2.858,1208 0.137,1209 0.131,1210 0.212,1211 0.123,1212 0.097,1213 4.924,1214 0.132,1215 4.723,1216 0.065,1217 7.64,1218 0.373,1219 4.417,1220 0.089,1221 3.496,1222 4.755,1223 2.341,1224 13.429,1225 3.193,1226 1.995,1227 1.982,1228 2.094,1229 2.07,1230 1.306,1231 2.092,1232 1.953,1233 1.953,1234 1.968,1235 2.019,1236 1.251,1237 2.05,1238 1.813,1239 1.778,1240 1.946,1241 1.921,1242 1.153,1243 1.934,1244 1.68,1245 1.632,1246 1.889,1247 1.856,1248 1.032,1249 1.868,1250 1.586,1251 1.565,1252 1.748,1253 1.76,1254 0.893,1255 1.781,1256 1.359,1257 1.339,1258 1.551,1259 1.547,1260 0.701,1261 1.548,1262 1.212,1263 1.187,1264 1.47,1265 1.407,1266 0.627,1267 1.438,1268 1.052,1269 0.979,1270 1.191,1271 1.29,1272 0.398,1273 1.346,1274 4.29,1276 5.595,1278 7.091,1280 8.672,1282 10.299,1284 1.568,1285 5.865,1289 8.882,1290 2.235,1295 1.341,1300 39.765,1301 101.182,1302 221.589,1303 289.536,1304 326.265,1305 329.02,1306 329.02,1307 94.816,1308 7.348,1309 87.57,1310 95.95,1311 18,1312 12.518,1313 4.524,1314 3.807,1315 67.539,1316 179,1317 168,1318 0.184,1319 254.827,1320 450.42,1321 613.538,1322 15658,1323 1.6,1324 24.554,1325 0.722,1326 0.602,1327 25.304,1328 20.466,1329 16.269,1330 0.452,1331 0.353,1332 10.958,1333 14.712,1334 10.515,1335 8.741,1336 17.346,1337 12.725,1338 14.778,1339 0.302,1340 0.211,1341 16.547,1342 10.354,1343 11.667,1344 0.194,1345 0.126,1346 13.334,1347 7.541,1348 8.52,1349 0.123,1350 0.069,1351 9.571,1352 4.766,1353 6.771,1354 0.081,1355 0.041,1356 7.739,1357 3.411,1358 0.298,1359 111.967,1360 0.207,1361 32.078,1362 0.482,1363 170,1364 529.71,1365 237.612,1366 564.958,1367 739.9,1368 518,1369 194,1370 472.324,1371 260.42,1372 529.368,1373 760.35,1374 495,1375 7.824} {0 CHEMBL129365,1 1.693,2 14.868,3 5.092,4 25.932,5 146.412,6 8.315,7 0.45,8 4.281,9 4.37,10 4.031,11 3.879,12 5.439,13 3.834,14 4.803,15 4.943,16 4.34,17 4.257,18 6.17,19 4.182,20 5.095,21 5.277,22 4.393,23 4.427,24 6.218,25 4.315,26 5.188,27 5.374,28 4.347,29 4.437,30 6.356,31 4.325,32 5.213,33 5.414,34 4.456,35 4.471,36 6.319,37 4.368,38 5.261,39 5.458,40 4.485,41 4.511,42 6.613,43 4.405,44 5.268,45 5.492,46 4.314,47 4.479,48 6.363,49 4.358,50 5.184,51 5.401,52 4.284,53 4.362,54 6.381,55 4.26,56 0.156,57 0.902,58 14.53,59 6.751,60 31.424,61 7.652,62 0.59,63 1.449,64 24.275,65 11.003,66 101.753,67 13.315,68 0.606,69 1.855,70 44.75,71 16.199,72 107.65,73 18.633,74 0.901,75 1.969,76 48.654,77 17.034,78 152.729,79 19.523,80 0.777,81 2.033,82 46.994,83 16.808,84 140.335,85 20.247,86 1.114,87 2.112,88 47.913,89 17.811,90 201.932,91 22.282,92 0.67,93 2.093,94 47.111,95 18.204,96 117.295,97 23.31,98 0.655,99 1.847,100 45.859,101 16.397,102 105.593,103 20.781,104 64,105 54,106 0.266,107 0.58,108 0.736,109 0.847,110 0.872,111 0.877,112 3.667,113 1.041,114 -4.34,115 -4.28,116 -4.04,118 41.8,120 5,124 2,133 1,134 1,140 10,141 3,142 2,143 2,154 2,163 2,167 2,168 17,169 2,171 3,172 6,175 2,177 2,180 22,181 1,186 10,187 1,191 1,194 22,195 1,197 1,198 15,201 1,203 1,206 17,207 1,210 8,211 2,215 1,218 20,219 2,221 2,222 13,225 2,227 2,229 20,230 5,234 12,239 5,242 15,243 7,247 12,248 1,252 7,255 14,256 5,258 1,259 9,262 1,264 5,267 9,268 3,270 2984,271 25.015,272 25.015,273 25.015,274 25.015,275 25.015,276 21.951,277 19.456,278 15.077,279 25.432,280 19.729,281 19.729,282 19.729,283 19.729,284 19.729,285 15.127,286 15.684,287 7.176,288 20.458,289 4.373,290 2.368,291 1.373,292 0.668,293 0.507,294 0.478,295 4.347,297 1,300 1,301 1166,302 5.339,306 477.56,313 2.061,314 58.772,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 83.333,326 565,327 4.931,328 4.725,329 7.666,330 4.432,331 3.51,332 4.758,333 2.341,334 13.61,335 3.21,336 4.38,337 3.598,338 6.5,339 4.014,340 3.016,341 3.968,342 2.341,343 10.18,344 3.011,345 3.912,346 3.596,347 5.608,348 3.524,349 2.533,350 3.471,351 0.4,352 7.164,353 2.514,354 3.854,355 3.04,356 5.406,357 3.376,358 2.442,359 3.41,361 6.781,362 2.269,363 3.56,364 2.906,365 5.133,366 3.237,367 2.236,368 2.923,370 6.133,371 2.219,372 3.552,373 2.737,374 5.008,375 3.218,376 2.232,377 2.716,379 5.807,380 2.157,381 3.529,382 2.471,383 4.659,384 3.114,385 2.128,386 2.709,388 5.184,389 2.093,390 3.189,391 2.166,392 4.651,393 2.829,394 1.908,395 2.378,397 5.061,398 1.701,399 3.046,400 1.903,401 4.223,402 2.612,403 1.622,404 2.224,406 3.86,407 1.594,408 2.782,409 1.561,410 4.138,411 2.382,412 1.402,413 1.783,415 3.714,416 1.367,417 2.719,418 1.486,419 3.564,420 2.315,421 1.357,422 1.738,424 2.946,425 1.266,426 2.5,427 1.156,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.11,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.325,447 1.957,448 1,449 1.5,451 2.136,452 0.955,453 2.238,454 1,455 3.247,456 1.896,457 0.905,458 1.129,460 2.113,461 0.893,462 18.348,463 0.483,464 1.009,465 0.027,466 48.25,467 1.27,468 25.5,469 0.671,470 22.75,471 0.599,472 35.242,473 0.927,474 41.652,475 0.622,476 43.67,477 1.149,478 9.536,479 0.251,480 8.627,481 0.227,482 0.148,483 0.045,484 0.24,487 0.631,488 1.245,489 0.733,490 1.123,491 0.695,492 0.939,493 0.477,494 1.083,495 0.765,496 0.959,497 0.442,498 1.004,499 0.931,500 1.089,501 1.192,502 1.157,503 0.875,504 1.041,505 1.118,506 1.046,507 1.188,508 1.107,509 1.2,510 1.075,511 0.921,512 1.005,513 0.733,514 0.913,515 1.032,516 0.981,517 0.553,518 1.038,519 0.825,520 1.051,521 0.556,522 1.067,523 0.737,524 1.004,525 0.758,526 0.952,527 0.756,528 1.015,529 0.903,530 1.035,531 0.887,532 0.982,533 0.844,534 1.02,535 8.5,536 0.342,537 4.889,538 2.438,539 1.676,540 1.306,541 0.85,542 0.753,543 0.484,544 0.415,545 22326,546 78514,547 1.973,548 43.3,549 4,550 15,552 2,553 2,554 4,555 2,558 1.789,559 1.831,560 3.793,561 0.175,567 113.431,568 1.693,569 3.699,570 4.693,571 5.398,572 5.559,573 5.588,574 3.171,575 4.669,576 5.218,577 4.027,578 2831.15,579 9.204,580 49405.9,585 406.428,586 1.553,587 5.162,588 0.213,589 0.009,590 0.091,591 0.044,592 0.031,593 0.023,594 0.014,595 0.014,596 0.009,597 0.01,598 0.457,599 0.17,600 0.75,601 1.535,602 213.671,603 0.006,604 -0.083,605 0.11,606 -0.022,607 -0.098,608 0.03,609 0.247,610 0.032,611 0.048,612 0.029,613 0.245,614 -0.048,615 -0.113,616 -0.033,617 -0.113,618 -0.042,619 -0.066,620 -0.03,621 -0.144,622 -0.021,623 -0.186,624 -0.05,625 -0.158,626 -0.089,627 -0.082,628 0.004,629 0.072,630 0.043,631 -0.136,632 0.002,633 0.241,634 -0.039,635 0.031,636 -0.084,637 0.243,638 -0.071,639 -0.015,640 -0.048,641 0.031,642 -0.022,643 -0.014,644 0.001,645 -0.038,646 -0.108,647 0.014,648 -0.072,649 -0.003,650 -0.015,651 4.823,652 6.185,653 0.474,654 48.526,655 1.014,656 1.118,657 3.114,658 9.699,659 0.685,660 3.714,661 4.007,662 4.19,663 4.357,664 4.564,665 4.625,666 4.673,667 4.727,668 4.762,669 4.844,670 8.815,671 0.653,672 557.11,673 3.714,674 5.242,675 6.057,676 6.913,677 7.754,678 8.618,679 9.472,680 10.342,681 11.202,682 12.076,683 3,686 1,693 1,699 12,700 1,704 5,706 18,723 1,724 67,726 23,727 2,728 40,730 69,731 28,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 5,753 21,754 7,756 5,760 1,761 4,763 1,765 3,772 29,773 8,774 2,775 10,776 2,779 2,784 1,785 6,795 1,802 3,818 2,822 1,823 1,830 2,832 3,834 1,837 1,840 38,844 1,845 2,846 7,851 1,861 1,862 9,864 2,865 4,869 20.75,870 11.61,871 8.472,872 3.933,874 2.811,875 1.374,876 0.934,877 10.903,878 10.328,879 4.007,880 4.57,881 5.012,882 5.472,883 5.972,884 6.149,885 6.407,886 6.593,887 6.836,888 7.119,889 0.9,890 56,891 14.404,893 6.388,894 8.128,895 26.255,897 21.275,899 2.628,900 99.861,904 317.82,905 164.638,906 18.304,907 39.149,908 179.969,910 5.807,911 158.831,912 536.938,913 18.304,915 16.884,916 110.046,917 222.117,918 37.407,920 294.278,921 39.149,922 317.82,923 177.135,924 179.969,925 44.956,927 294.278,928 203.512,931 36.497,932 114.376,933 71.218,935 317.82,936 198.274,937 203.787,939 5.807,940 317.82,941 36.497,942 123.852,944 235.904,945 317.82,946 198.274,947 203.787,949 0.575,950 0.311,951 0.154,952 0.088,953 21,954 11,955 0.203,956 14,958 1,959 4.727,960 345.565,962 18,963 189.421,967 1,968 29.375,969 14.104,970 8.968,972 198.274,973 20.653,974 4.19,978 3.175,980 85.367,981 719.88,982 54,986 -3.907,987 48.379,989 2.001,991 -0.978,994 67.938,995 74.93,996 0.279,997 0.61,998 0.774,999 0.89,1000 0.916,1001 0.921,1002 5.228,1003 1.908,1004 6.052,1005 5.184,1006 4.691,1007 5.257,1008 2.915,1009 6.855,1010 4.62,1011 6.444,1012 1.622,1013 7.618,1014 5.061,1015 4.369,1016 5.207,1017 2.882,1018 8.044,1019 4.198,1020 7.767,1021 1.402,1022 9.309,1023 3.86,1024 6.308,1025 7.475,1026 4.309,1027 11.1,1028 6.149,1029 9.134,1030 1.357,1031 11.086,1032 3.714,1033 6.836,1034 8.276,1035 4.797,1036 13.234,1037 6.558,1038 10.543,1039 1,1040 12.924,1041 2.946,1042 8.292,1043 10.076,1044 5.892,1045 15.936,1046 8.007,1047 11.983,1048 1,1049 14.81,1050 2.275,1051 9.213,1052 11.269,1053 6.581,1054 18.388,1055 8.806,1056 13.449,1057 1,1058 16.73,1059 2.275,1060 10.504,1061 12.902,1062 7.541,1063 21.011,1064 10.059,1065 3.51,1066 0.905,1067 18.677,1068 2.136,1069 11.605,1070 14.283,1071 8.318,1072 23.564,1073 11.046,1074 3.016,1075 13.61,1076 20.644,1077 2.113,1078 12.847,1079 15.855,1080 9.219,1081 26.17,1082 12.225,1083 2.533,1084 10.18,1085 22.627,1086 4.758,1087 14.027,1088 17.325,1089 10.035,1090 28.758,1091 13.298,1092 2.442,1093 7.164,1094 24.622,1095 3.968,1096 15.26,1097 18.878,1098 10.909,1099 31.363,1100 14.452,1101 2.236,1102 6.781,1103 26.625,1104 3.471,1105 16.476,1106 20.391,1107 11.744,1108 33.963,1109 15.565,1110 2.232,1111 6.133,1112 28.635,1113 3.41,1114 17.712,1115 21.94,1116 12.605,1117 36.569,1118 16.712,1119 2.128,1120 5.807,1121 30.651,1122 2.923,1123 18.943,1124 23.474,1125 13.448,1126 39.175,1127 17.845,1128 22133,1129 41734,1130 25.83,1131 45.904,1132 59.092,1133 60.829,1134 60.421,1135 58.961,1136 58.61,1137 77.668,1138 10.164,1139 163.115,1140 56.492,1141 5.839,1142 6.725,1143 7.468,1144 5.485,1145 5.51,1146 7.758,1147 3.925,1148 21.573,1149 5.21,1150 23.004,1151 1.477,1152 1.521,1153 1.511,1154 1.474,1155 1.465,1156 1.942,1157 0.254,1158 4.078,1159 1.412,1160 4.101,1161 4.093,1162 4.742,1163 4.081,1164 7.715,1165 4.005,1166 3.993,1167 4.006,1168 3.955,1169 3.95,1170 7.476,1171 3.932,1172 3.821,1173 3.859,1174 3.925,1175 3.738,1176 7.472,1177 3.736,1178 3.716,1179 3.751,1180 3.747,1181 3.614,1182 6.999,1183 3.581,1184 3.694,1185 3.734,1186 3.58,1187 3.55,1188 6.352,1189 3.544,1190 3.534,1191 3.526,1192 3.528,1193 3.369,1194 6.35,1195 3.348,1196 3.422,1197 3.441,1198 3.342,1199 3.284,1200 4.937,1201 3.282,1202 3.271,1203 3.305,1204 3.196,1205 3.095,1206 4.913,1207 3.088,1208 0.123,1209 0.118,1210 0.192,1211 0.111,1212 0.088,1213 4.931,1214 0.119,1215 4.725,1216 0.059,1217 7.666,1218 0.34,1219 4.432,1220 0.08,1221 3.51,1222 4.758,1223 2.341,1224 13.61,1225 3.21,1226 1.996,1227 1.984,1228 2.094,1229 2.072,1230 1.319,1231 2.095,1232 1.955,1233 1.954,1234 1.971,1235 2.024,1236 1.268,1237 2.052,1238 1.814,1239 1.779,1240 1.946,1241 1.922,1242 1.164,1243 1.935,1244 1.682,1245 1.635,1246 1.889,1247 1.857,1248 1.063,1249 1.869,1250 1.649,1251 1.615,1252 1.826,1253 1.83,1254 1.004,1255 1.837,1256 1.423,1257 1.401,1258 1.643,1259 1.63,1260 0.845,1261 1.633,1262 1.337,1263 1.337,1264 1.502,1265 1.531,1266 0.664,1267 1.529,1268 1.212,1269 1.18,1270 1.207,1271 1.397,1272 0.513,1273 1.433,1274 4.394,1276 5.694,1278 7.179,1280 8.75,1282 10.372,1285 5.89,1289 18.037,1290 1.239,1295 1.182,1300 43.721,1301 113.431,1302 247.8,1303 314.454,1304 361.673,1305 372.428,1306 374.428,1307 131.517,1308 7.517,1309 124.87,1310 133.25,1311 18,1312 12.62,1313 4.585,1314 3.907,1315 80.35,1316 204,1317 198,1318 0.19,1319 279.077,1320 499.96,1321 672.708,1322 18708,1323 1.5,1324 27.545,1325 0.725,1326 0.585,1327 28.295,1328 22.236,1329 18.163,1330 0.454,1331 0.347,1332 12.083,1333 16.493,1334 11.69,1335 9.655,1336 19.24,1337 13.876,1338 16.545,1339 0.306,1340 0.203,1341 18.272,1342 10.969,1343 12.457,1344 0.192,1345 0.123,1346 14.087,1347 8.022,1348 9.453,1349 0.123,1350 0.07,1351 10.698,1352 5.424,1353 7.555,1354 0.08,1355 0.042,1356 8.748,1357 3.955,1358 0.304,1359 124.401,1360 0.197,1361 34.842,1362 0.503,1363 188,1364 633.596,1365 260.373,1366 658.168,1367 851.1,1368 602,1369 213,1370 540.342,1371 284.081,1372 593.22,1373 852.12,1374 556,1375 7} {0 CHEMBL129635,1 1.604,2 15.611,3 4.155,4 17.263,5 138.455,6 7.737,7 0.474,8 4.267,9 4.36,10 3.969,11 3.825,12 5.394,13 3.787,14 4.79,15 4.938,16 4.218,17 4.178,18 6.087,19 4.119,20 5.009,21 5.185,22 4.285,23 4.337,24 6.129,25 4.247,26 5.102,27 5.285,28 4.268,29 4.36,30 6.221,31 4.263,32 5.164,33 5.368,34 4.267,35 4.377,36 6.28,37 4.262,38 5.142,39 5.366,40 4.21,41 4.371,42 6.206,43 4.226,44 5.133,45 5.367,46 4.089,47 4.283,48 6.206,49 4.161,50 5.004,51 5.219,52 4,53 4.158,54 6.144,55 4.062,56 0.127,57 0.902,58 16.014,59 6.761,60 23.299,61 7.877,62 0.583,63 1.4,64 27.017,65 10.855,66 90.121,67 13.101,68 0.52,69 1.711,70 37.113,71 14.275,72 73.99,73 17.171,74 0.569,75 1.831,76 40.573,77 15.037,78 94.699,79 18.251,80 0.881,81 1.912,82 42.296,83 15.463,84 110.088,85 19.571,86 0.651,87 1.938,88 44.759,89 16.436,90 82.541,91 21.111,92 0.644,93 1.832,94 45.086,95 15.39,96 103.223,97 19.59,98 0.556,99 1.583,100 34.598,101 12.632,102 89.817,103 16.307,104 50,105 51,106 0.253,107 0.589,108 0.761,109 0.852,110 0.864,111 0.869,112 3.615,113 1.023,114 -3.48,115 -3.45,116 -3.3,118 40.9,120 4,123 2,124 1,133 1,134 1,140 9,141 3,142 3,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 5,175 3,177 2,180 19,181 1,185 1,186 10,191 4,194 19,195 1,198 8,203 4,206 16,207 1,209 2,210 6,213 1,215 3,218 17,219 1,221 2,222 8,225 1,227 2,229 15,230 2,234 9,239 3,242 12,243 3,247 8,248 1,252 5,255 9,256 3,258 1,259 8,262 1,264 5,267 5,268 1,270 2584,271 24.162,272 24.162,273 24.162,274 24.162,275 24.162,276 21.335,277 19.063,278 14.459,279 24.746,280 18.619,281 18.619,282 18.619,283 18.619,284 18.619,285 14.206,286 14.716,287 6.663,288 19.369,289 4.441,290 2.308,291 1.217,292 0.64,293 0.568,294 0.538,295 4.296,300 1,301 1164,302 4.899,306 444.764,313 2.321,314 45.665,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 79,326 562,327 4.852,328 4.685,329 7.298,330 4.304,331 3.386,332 4.707,333 2.341,334 12.435,335 3.079,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.86,343 10.18,344 3.011,345 4.167,346 3.155,347 6.129,348 3.734,349 2.796,350 3.767,351 0.86,352 8.969,353 2.616,354 3.908,355 3.039,356 5.415,357 3.515,358 2.518,359 3.47,361 7.106,362 2.509,363 3.556,364 2.7,365 5.135,366 3.237,367 2.232,368 2.922,370 6.126,371 2.219,372 3.53,373 2.192,374 4.866,375 3.112,376 2.125,377 2.709,379 5.184,380 2.098,381 3.139,382 2.181,383 4.659,384 2.678,385 1.712,386 2.369,388 5.065,389 1.649,390 3.049,391 1.927,392 4.362,393 2.611,394 1.626,395 2.225,397 4.081,398 1.599,399 2.919,400 1.853,401 4.148,402 2.519,403 1.598,404 2.057,406 3.814,407 1.46,408 2.721,409 1.501,410 3.564,411 2.381,412 1.4,413 1.75,415 2.947,416 1.369,417 2.5,418 1.326,419 3.547,420 2.107,421 1.14,422 1.5,424 2.528,425 1.1,426 2.5,427 1.128,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.313,436 1.027,437 3.287,438 1.957,439 1,440 1.276,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.833,448 0.841,449 1.075,451 1.99,452 0.83,453 1.879,454 1,455 3.085,456 1.554,457 0.66,458 0.78,460 1.191,461 0.584,462 17.133,463 0.476,464 0.837,465 0.023,466 46.75,467 1.299,468 25,469 0.694,470 21.75,471 0.604,472 30.894,473 0.858,474 39.867,475 0.604,476 40.506,477 1.125,478 9.407,479 0.261,480 7.928,481 0.22,482 0.136,483 0.049,484 0.233,487 0.69,488 1.275,489 0.837,490 1.238,491 0.703,492 1,493 0.808,494 0.976,495 0.909,496 0.94,497 0.537,498 0.935,499 0.887,500 1.073,501 1.098,502 1.107,503 0.896,504 1.021,505 1.065,506 1.149,507 1.128,508 1.149,509 1.161,510 1.123,511 0.924,512 1.007,513 0.967,514 0.957,515 0.964,516 1.059,517 0.527,518 1.104,519 1.084,520 1.167,521 0.571,522 1.103,523 0.959,524 0.958,525 1.085,526 1.01,527 1.064,528 0.973,529 1.095,530 1.016,531 0.901,532 0.93,533 1.179,534 1.039,535 7.5,536 0.276,537 4.444,538 2.25,539 1.627,540 1.181,541 0.769,542 0.51,543 0.357,544 0.288,545 20676,546 65093,547 1.988,548 45.5,549 4,550 18,552 2,553 2,554 2,555 2,558 1.771,559 1.854,560 3.884,561 0.176,567 105.832,568 1.604,569 3.737,570 4.828,571 5.404,572 5.476,573 5.506,574 3.341,575 4.705,576 5.14,577 4.108,578 2588.09,579 9.02,580 44448.4,585 398.93,586 1.51,587 5.09,588 0.197,589 0.009,590 0.087,591 0.042,592 0.032,593 0.024,594 0.016,595 0.012,596 0.009,597 0.008,598 0.436,599 0.33,600 0.75,601 1.448,602 201.31,603 0.022,604 -0.097,605 0.167,606 -0.062,607 -0.111,608 0.016,609 0.124,610 0.112,611 0.029,612 0.089,613 0.231,614 0.041,615 -0.03,616 -0.025,617 -0.057,618 -0.02,619 -0.04,620 -0.011,621 -0.131,622 -0.128,623 -0.135,624 -0.117,625 -0.15,626 -0.132,627 0.007,628 -0.014,629 -0.043,630 0.006,631 -0.064,632 -0.077,633 0.137,634 -0.082,635 -0.029,636 -0.099,637 0.1,638 -0.07,639 -0.091,640 0.022,641 -0.06,642 -0.006,643 -0.058,644 0.032,645 -0.131,646 -0.056,647 -0.067,648 -0.042,649 -0.099,650 -0.07,651 4.625,652 5.7,653 0.5,654 46.741,655 1.009,656 1.121,657 2.245,658 5.042,659 0.667,660 3.664,661 3.951,662 4.159,663 4.331,664 4.522,665 4.564,666 4.644,667 4.595,668 4.595,669 4.654,670 9.16,671 0.635,672 510.66,673 3.664,674 5.187,675 6.009,676 6.866,677 7.708,678 8.572,679 9.424,680 10.29,681 11.147,682 12.016,683 3,685 1,693 1,699 11,700 1,704 6,706 18,722 2,724 66,726 22,727 2,728 38,730 68,731 27,733 17,734 5,735 7,736 2,739 3,740 3,751 4,753 20,754 7,756 4,760 1,761 3,763 1,765 2,772 30,773 8,774 2,775 9,776 1,779 2,784 1,785 6,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 2,840 36,844 1,845 1,846 5,847 1,848 2,862 9.1,864 1,865 3,867 2,869 19.417,870 12.15,871 8.208,872 3.732,874 2.994,875 1.398,876 0.942,877 10.061,878 10.523,879 3.951,880 4.527,881 5.012,882 5.497,883 6.01,884 6.191,885 6.489,886 6.547,887 6.733,888 7.001,889 1,890 54,891 13.546,893 5.842,894 7.979,895 25.044,897 19.952,899 2.479,900 89.25,904 329.591,905 178.364,906 33.191,908 134.141,910 5.807,911 172.557,912 463.732,913 33.191,914 21.766,915 12.244,916 116.975,917 153.379,918 64.875,920 306.049,922 329.591,923 205.748,924 134.141,925 5.807,927 306.049,928 157.683,931 46.744,932 132.742,933 32.069,935 329.591,936 167.332,937 178.364,939 5.807,940 329.591,941 37.934,942 134.623,943 16.405,944 150.927,945 329.591,946 167.332,947 178.364,949 0.569,950 0.325,951 0.166,952 0.089,953 20,954 10,955 0.191,956 13,958 1,959 4.655,960 315.748,962 18,963 180.117,967 1,968 27.406,969 13.216,970 7.915,972 167.332,973 19.649,974 4.199,978 3.806,980 59.088,981 675.287,982 51,986 -3.708,987 36.221,989 2.034,991 0.173,994 66.614,995 73.986,996 0.265,997 0.618,998 0.799,999 0.894,1000 0.906,1001 0.911,1002 5.168,1003 1.626,1004 5.999,1005 5.065,1006 4.635,1007 5.215,1008 2.527,1009 6.804,1010 4.561,1011 6.385,1012 1.598,1013 7.564,1014 4.081,1015 4.29,1016 5.182,1017 2.243,1018 7.96,1019 4.146,1020 7.714,1021 1.4,1022 9.247,1023 3.814,1024 6.26,1025 7.47,1026 3.685,1027 10.966,1028 6.098,1029 9.09,1030 1.14,1031 11.007,1032 2.947,1033 6.77,1034 8.284,1035 4.112,1036 12.987,1037 6.506,1038 10.504,1039 1,1040 12.82,1041 2.528,1042 8.225,1043 10.084,1044 5.21,1045 15.6,1046 7.944,1047 11.946,1048 1,1049 14.669,1050 2.275,1051 9.113,1052 11.273,1053 5.889,1054 17.925,1055 8.721,1056 13.411,1057 0.841,1058 16.544,1059 2.136,1060 10.384,1061 12.896,1062 6.85,1063 20.442,1064 9.956,1065 3.386,1066 0.66,1067 18.44,1068 1.99,1069 11.44,1070 14.261,1071 7.625,1072 22.876,1073 10.906,1074 3.016,1075 12.435,1076 20.352,1077 1.191,1078 12.648,1079 15.819,1080 8.526,1081 25.376,1082 12.059,1083 2.796,1084 10.18,1085 22.276,1086 4.707,1087 13.78,1088 17.269,1089 9.342,1090 27.853,1091 13.091,1092 2.518,1093 8.969,1094 24.209,1095 3.968,1096 14.971,1097 18.806,1098 10.216,1099 30.355,1100 14.212,1101 2.232,1102 7.106,1103 26.151,1104 3.767,1105 16.138,1106 20.3,1107 11.051,1108 32.851,1109 15.283,1110 2.125,1111 6.126,1112 28.099,1113 3.47,1114 17.329,1115 21.832,1116 11.912,1117 35.357,1118 16.394,1119 1.712,1120 5.184,1121 30.053,1122 2.922,1123 18.513,1124 23.349,1125 12.755,1126 37.863,1127 17.485,1128 20413,1129 36397,1130 24.731,1131 44.046,1132 55.249,1133 57.152,1134 57.245,1135 55.132,1136 55.181,1137 73.336,1138 8.122,1139 153.864,1140 53.12,1141 5.753,1142 6.685,1143 7.1,1144 5.362,1145 5.386,1146 7.707,1147 3.925,1148 19.686,1149 5.079,1150 20.799,1151 1.454,1152 1.504,1153 1.506,1154 1.451,1155 1.452,1156 1.93,1157 0.214,1158 4.049,1159 1.398,1160 4.09,1161 4.081,1162 4.735,1163 4.065,1164 7.717,1165 3.994,1166 3.993,1167 4.003,1168 3.953,1169 3.949,1170 7.474,1171 3.929,1172 3.82,1173 3.859,1174 3.765,1175 3.736,1176 6.999,1177 3.735,1178 3.702,1179 3.743,1180 3.742,1181 3.57,1182 6.351,1183 3.551,1184 3.68,1185 3.68,1186 3.58,1187 3.545,1188 4.935,1189 3.514,1190 3.429,1191 3.454,1192 3.346,1193 3.293,1194 4.905,1195 3.286,1196 3.288,1197 3.335,1198 3.153,1199 3.102,1200 4.719,1201 3.097,1202 3.247,1203 3.314,1204 3.051,1205 2.954,1206 4.496,1207 2.961,1208 0.128,1209 0.123,1210 0.192,1211 0.113,1212 0.089,1213 4.852,1214 0.124,1215 4.685,1216 0.062,1217 7.298,1218 0.327,1219 4.304,1220 0.081,1221 3.386,1222 4.707,1223 2.341,1224 12.435,1225 3.079,1226 1.993,1227 1.978,1228 2.093,1229 2.068,1230 1.3,1231 2.087,1232 1.944,1233 1.951,1234 1.963,1235 2.027,1236 1.234,1237 2.048,1238 1.812,1239 1.777,1240 1.943,1241 1.925,1242 1.149,1243 1.935,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.027,1249 1.868,1250 1.546,1251 1.542,1252 1.7,1253 1.744,1254 0.867,1255 1.759,1256 1.362,1257 1.345,1258 1.576,1259 1.559,1260 0.669,1261 1.57,1262 1.24,1263 1.195,1264 1.562,1265 1.523,1266 0.605,1267 1.539,1268 1.191,1269 1.115,1270 1.509,1271 1.49,1272 0.574,1273 1.499,1274 4.344,1276 5.638,1278 7.128,1280 8.706,1282 10.331,1284 2.945,1289 8.89,1290 2.052,1291 2.627,1292 10.361,1300 41.894,1301 105.832,1302 246.626,1303 318.626,1304 356.665,1305 361.42,1306 363.42,1307 102.312,1308 7.528,1309 114.82,1310 123.2,1311 18,1312 12.563,1313 4.524,1314 3.807,1315 74.089,1316 202,1317 180,1318 0.177,1319 264.079,1320 470.09,1321 636.113,1322 20250,1324 25.968,1325 0.721,1326 0.587,1327 26.218,1328 21.124,1329 17.335,1330 0.456,1331 0.341,1332 11.425,1333 15.841,1334 10.991,1335 9.177,1336 18.156,1337 12.955,1338 15.248,1339 0.299,1340 0.192,1341 16.572,1342 9.774,1343 12.048,1344 0.191,1345 0.111,1346 13.143,1347 7.01,1348 9.381,1349 0.125,1350 0.063,1351 10.234,1352 4.719,1353 7.321,1354 0.08,1355 0.036,1356 8.123,1357 3.278,1358 0.288,1359 117.533,1360 0.201,1361 33.722,1362 0.457,1363 178,1364 595.666,1365 232.148,1366 584.798,1367 773.75,1368 540,1369 203,1370 515.41,1371 262.306,1372 559.809,1373 802.49,1374 521,1375 8.301} {0 CHEMBL129734,1 1.557,2 14.727,3 4.674,4 21.845,5 130.569,6 7.617,7 0.514,8 4.177,9 4.277,10 3.881,11 3.79,12 5.272,13 3.731,14 4.696,15 4.849,16 4.132,17 4.157,18 5.996,19 4.071,20 4.962,21 5.157,22 4.153,23 4.301,24 6.036,25 4.179,26 5.033,27 5.244,28 4.078,29 4.275,30 6.123,31 4.147,32 5.009,33 5.231,34 4.063,35 4.25,36 6.067,37 4.123,38 4.969,39 5.192,40 4.045,41 4.254,42 5.984,43 4.113,44 5,45 5.231,46 3.955,47 4.198,48 6.068,49 4.07,50 4.878,51 5.105,52 3.903,53 4.093,54 5.97,55 3.977,56 0.093,57 0.833,58 15.153,59 6.255,60 21.3,61 7.534,62 0.393,63 1.327,64 24.203,65 10.288,66 78.819,67 12.978,68 0.269,69 1.665,70 35.975,71 14.07,72 66.624,73 17.34,74 0.384,75 1.732,76 39.127,77 14.52,78 90.559,79 18.05,80 0.391,81 1.689,82 35.67,83 13.552,84 85.059,85 17.47,86 0.229,87 1.688,88 37.294,89 14.159,90 54.004,91 18.07,92 0.39,93 1.646,94 36.469,95 13.474,96 84.738,97 17.457,98 0.208,99 1.452,100 29.991,101 11.988,102 56.606,103 15.943,104 31,105 47,106 0.249,107 0.576,108 0.749,109 0.846,110 0.863,111 0.863,112 3.531,113 1.055,114 -4.25,115 -4.18,116 -3.95,118 42.6,119 1,120 4,124 1,133 1,134 1,140 10,141 4,142 1,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 2,180 24,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 16,207 1,210 8,215 4,218 17,219 1,222 10,227 3,229 16,230 2,234 8,239 3,242 14,243 3,247 6,248 1,252 5,255 13,256 3,258 1,259 5,262 1,264 5,267 10,268 1,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 14.256,278 13.246,279 22.162,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 12.966,286 7.619,287 6.299,288 17.669,289 4.374,290 2.331,291 1.25,292 0.648,293 0.537,294 0.537,295 4.212,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 37.872,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71,326 486,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 2.341,334 12.404,335 3.066,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.517,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.701,356 5.154,357 3.398,358 2.399,359 3.393,361 6.321,362 2.396,363 3.555,364 2.561,365 5.128,366 3.237,367 2.232,368 2.922,370 6.124,371 2.219,372 3.53,373 2.183,374 4.73,375 3.112,376 2.124,377 2.709,379 5.184,380 2.097,381 3.086,382 1.922,383 4.659,384 2.655,385 1.671,386 2.292,388 4.759,389 1.64,390 3.046,391 1.832,392 4.148,393 2.602,394 1.609,395 2.224,397 3.814,398 1.594,399 2.721,400 1.497,401 3.564,402 2.381,403 1.4,404 1.75,406 2.947,407 1.369,408 2.5,409 1.279,410 3.526,411 2.104,412 1.133,413 1.5,415 2.52,416 1.097,417 2.5,418 1.124,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.312,436 1,437 3.282,438 1.957,439 1,440 1.274,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.832,448 0.84,449 1.074,451 1.989,452 0.83,453 1.38,454 0.672,455 2.951,456 1.201,457 0.206,458 0.227,460 0.465,461 0.204,462 15.967,463 0.484,464 0.824,465 0.025,466 43.25,467 1.311,468 24,469 0.727,470 19.25,471 0.583,472 27.484,473 0.833,474 35.633,475 0.584,476 35.088,477 1.063,478 8.463,479 0.256,480 7.385,481 0.224,482 0.115,483 0.052,484 0.219,487 0.586,488 1.179,489 0.856,490 1.159,491 0.69,492 0.963,493 0.47,494 1.046,495 0.9,496 1.018,497 0.458,498 1.021,499 0.895,500 1.083,501 1.136,502 1.124,503 0.874,504 1.061,505 1.1,506 1.081,507 1.15,508 1.09,509 1.122,510 1.074,511 1.055,512 0.967,513 0.919,514 0.881,515 1.059,516 0.987,517 0.669,518 1.114,519 1.127,520 1.17,521 0.578,522 1.083,523 1.045,524 0.937,525 0.975,526 0.935,527 1.054,528 0.996,529 0.812,530 1.069,531 0.768,532 0.975,533 0.791,534 1.033,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 48574,547 2.004,548 45.9,549 7,550 13,552 2,553 2,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.162,567 94.958,568 1.557,569 3.6,570 4.681,571 5.283,572 5.394,573 5.394,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 361.775,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.17,600 0.75,601 1.33,602 179.449,603 0.054,604 -0.032,605 0.174,606 -0.013,607 -0.116,608 0.042,609 0.298,610 0.036,611 0.022,613 0.272,614 -0.04,615 -0.077,616 -0.062,617 -0.089,618 -0.058,619 -0.051,620 -0.055,621 -0.127,622 -0.091,623 -0.133,624 -0.077,625 -0.113,626 -0.086,627 -0.125,628 0.013,629 -0.023,630 0.052,631 -0.122,632 -0.011,633 -0.011,634 -0.093,635 -0.079,636 -0.115,637 0.037,638 -0.065,639 -0.11,640 0.029,641 -0.069,642 -0.003,643 -0.086,644 -0.016,645 0.004,646 -0.127,647 0.04,648 -0.079,649 0.024,650 -0.044,651 4.448,652 5.44,653 0.545,654 41.971,655 1.001,656 1.117,657 3.016,658 9.094,659 0.678,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.638,672 464.63,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 3.3,685 1,693 1,699 12,700 1,704 5,706 18,724 61,726 22,727 2,728 35,730 63,731 26,733 17,734 4,735 8,736 2,739 3,740 3,745 1,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 28,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 1,840 33,844 1,845 1,846 5,847 1,862 6.6,864 1,865 3,869 17.583,870 10.9,871 7.347,872 3.614,874 2.924,875 1.4,876 0.958,877 8.677,878 10.227,879 3.892,880 4.472,881 4.929,882 5.407,883 5.91,884 6.058,885 6.313,886 6.462,887 6.692,888 6.97,889 0.9,890 47,891 12.42,893 5.383,894 7.942,895 23.201,897 18.816,899 2.442,900 80.583,904 306.049,905 167.599,906 33.191,908 112.141,910 5.807,911 161.791,912 418.19,913 33.191,914 8.825,915 12.244,916 126.451,917 153.379,918 35.573,920 282.506,922 306.049,923 194.982,924 112.141,925 5.807,927 282.506,928 135.683,931 55.569,932 113.151,933 32.069,935 306.049,936 145.332,937 167.599,939 5.807,940 306.049,941 30.632,942 131.159,943 16.405,944 128.927,945 306.049,946 145.332,947 167.599,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.175,956 11,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 24.537,969 11.67,970 7.471,972 145.332,973 22.088,974 4.198,978 4.253,980 59.088,981 618.979,982 48,986 -3.532,987 35.67,989 2.046,991 0.203,994 61.076,995 68.152,996 0.262,997 0.607,998 0.789,999 0.891,1000 0.909,1001 0.909,1002 5.103,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.159,1008 2.258,1009 6.691,1010 4.508,1011 6.322,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.087,1020 7.647,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.406,1026 3.628,1027 10.837,1028 6.042,1029 9.018,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.434,1038 10.427,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 10.012,1044 5.201,1045 15.497,1046 7.88,1047 11.866,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.645,1056 13.328,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.823,1062 6.849,1063 20.369,1064 9.887,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.831,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.75,1080 8.526,1081 25.322,1082 11.987,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 13.017,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 10.216,1099 30.309,1100 14.141,1101 2.232,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 11.051,1108 32.808,1109 15.213,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 11.912,1117 35.314,1118 16.325,1119 1.671,1120 5.184,1121 29.988,1122 2.922,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.416,1128 16206,1129 27950,1130 22.94,1131 41.375,1132 51.442,1133 52.725,1134 52.276,1135 51.113,1136 51.047,1137 69.004,1138 4.682,1139 140.992,1140 49.975,1141 5.744,1142 6.683,1143 7.095,1144 5.334,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.066,1150 17.959,1151 1.47,1152 1.506,1153 1.494,1154 1.46,1155 1.458,1156 1.972,1157 0.134,1158 4.028,1159 1.428,1160 4.089,1161 4.084,1162 4.735,1163 4.072,1164 7.717,1165 3.998,1166 3.993,1167 4.007,1168 3.953,1169 3.95,1170 7.474,1171 3.932,1172 3.82,1173 3.86,1174 3.751,1175 3.737,1176 6.999,1177 3.735,1178 3.701,1179 3.744,1180 3.723,1181 3.607,1182 6.351,1183 3.555,1184 3.68,1185 3.693,1186 3.579,1187 3.55,1188 4.923,1189 3.531,1190 3.428,1191 3.454,1192 3.346,1193 3.295,1194 4.725,1195 3.289,1196 3.282,1197 3.328,1198 3.151,1199 3.107,1200 4.698,1201 3.101,1202 3.047,1203 3.12,1204 2.88,1205 2.865,1206 4.247,1207 2.846,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.292,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.066,1226 1.995,1227 1.985,1228 2.093,1229 2.069,1230 1.3,1231 2.094,1232 1.966,1233 1.958,1234 2.026,1235 2.032,1236 1.239,1237 2.058,1238 1.814,1239 1.778,1240 1.957,1241 1.926,1242 1.179,1243 1.938,1244 1.68,1245 1.632,1246 1.889,1247 1.856,1248 1.033,1249 1.868,1250 1.574,1251 1.569,1252 1.703,1253 1.744,1254 0.879,1255 1.776,1256 1.377,1257 1.351,1258 1.53,1259 1.551,1260 0.726,1261 1.566,1262 1.248,1263 1.199,1264 1.504,1265 1.459,1266 0.655,1267 1.482,1268 1.025,1269 0.964,1270 1.207,1271 1.269,1272 0.394,1273 1.312,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1284 1.915,1289 8.867,1290 2.22,1291 2.655,1300 38.937,1301 94.958,1302 219.589,1303 285.536,1304 322.265,1305 329.02,1306 329.02,1307 86.592,1308 7.302,1309 96.36,1310 104.74,1311 18,1312 12.417,1313 4.524,1314 3.807,1315 64.462,1316 172,1317 168,1318 0.18,1319 246.494,1320 435.21,1321 593.206,1322 15053,1324 23.684,1325 0.718,1326 0.587,1327 23.934,1328 19.385,1329 15.848,1330 0.453,1331 0.352,1332 10.867,1333 14.66,1334 10.449,1335 8.722,1336 16.669,1337 12.313,1338 14.359,1339 0.306,1340 0.204,1341 15.682,1342 9.57,1343 10.876,1344 0.194,1345 0.12,1346 11.983,1347 6.695,1348 8.348,1349 0.126,1350 0.067,1351 9.203,1352 4.437,1353 6.556,1354 0.082,1355 0.039,1356 7.272,1357 3.152,1358 0.293,1359 106.382,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 492.195,1365 212.391,1366 501.068,1367 664.94,1368 460,1369 185,1370 443.319,1371 238.215,1372 489.339,1373 699.48,1374 458,1375 8.301} {0 CHEMBL129843,1 1.874,2 10.577,3 3.172,4 10.064,5 87.747,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.161,13 3.352,14 4.368,15 4.515,16 3.898,17 3.643,18 6.141,19 3.663,20 4.547,21 4.737,22 3.836,23 3.721,24 5.836,25 3.717,26 4.595,27 4.808,28 3.838,29 3.627,30 5.946,31 3.662,32 4.484,33 4.647,34 3.855,35 3.599,36 5.884,37 3.654,38 4.51,39 4.691,40 3.83,41 3.637,42 5.968,43 3.65,44 4.517,45 4.717,46 3.8,47 3.635,48 5.963,49 3.616,50 4.521,51 4.761,52 3.666,53 3.553,54 5.963,55 3.516,56 0.281,57 0.802,58 6.17,59 3.909,60 44.969,61 4.069,62 1.031,63 1.511,64 14.037,65 6.142,66 174.881,67 6.72,68 0.773,69 1.283,70 18.915,71 7.272,72 100.682,73 8.794,74 1.068,75 1.312,76 22.586,77 6.883,78 147.378,79 7.66,80 0.936,81 1.23,82 17.695,83 6.133,84 110.667,85 6.341,86 1.018,87 1.255,88 18.05,89 6.117,90 119.933,91 7.112,92 1.022,93 1.262,94 18.833,95 6.845,96 92.604,97 8.513,98 1.035,99 1.355,100 21.153,101 6.756,102 140.673,103 8.447,104 36,105 36,106 0.33,107 0.68,108 0.822,109 0.872,110 0.872,111 0.872,112 3.304,113 0.858,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 4,141 3,143 2,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 6,175 1,177 1,180 8,181 1,186 7,191 1,194 5,195 1,197 2,198 9,203 1,206 2,209 2,210 8,211 1,218 3,221 1,222 5,223 1,225 1,229 4,233 1,234 4,237 1,242 6,247 2,255 5,256 2,259 4,264 2,267 3,268 2,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.491,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.217,289 3.518,290 1.533,291 0.732,292 0.447,293 0.447,294 0.447,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.293,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.021,336 4.287,337 3.999,338 6.494,339 3.945,340 2.982,341 3.669,342 2.373,343 10.157,344 2.774,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.223,358 2.235,359 2.71,361 5.184,362 2.154,363 3.252,364 2.347,365 4.601,366 2.77,367 1.837,368 2.489,370 4.714,371 1.698,372 2.806,373 1.92,374 4.097,375 2.601,376 1.655,377 1.918,379 3.696,380 1.548,381 2.788,382 1.726,383 3.709,384 2.314,385 1.372,386 1.818,388 3.224,389 1.279,390 2.574,391 1.454,392 3.498,393 2.149,394 1.185,395 1.603,397 2.629,398 1.133,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.917,412 1,413 1.441,415 2.136,416 0.916,417 1.932,418 1,419 3.041,420 1.624,421 0.673,422 0.816,424 1.556,425 0.633,426 1.234,427 0.814,428 2.73,429 1.092,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.412,439 -0.549,440 -0.613,442 -1.231,443 -0.514,444 0.744,445 0.51,446 2.288,447 0.306,448 -0.658,449 -0.876,451 -1.549,452 -0.631,453 0.625,454 0.504,455 2,456 0.177,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.908,473 0.766,474 29.843,475 0.711,476 26.452,477 1.017,478 6.636,479 0.255,480 5.74,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.644,492 0.976,493 0.512,494 0.768,495 0.746,496 1.027,497 0.392,498 1.018,499 0.758,500 0.971,501 0.825,502 1.098,503 0.662,504 1.041,505 1.162,506 0.963,507 1.006,508 0.851,509 1.036,510 0.833,511 1.19,512 1.055,513 1.022,514 0.968,515 0.969,516 0.932,517 0.858,518 0.865,519 1.034,520 0.977,521 0.83,522 1.058,523 0.572,524 1.016,525 0.858,526 1.097,527 0.544,528 1.126,529 0.837,530 0.905,531 1.043,532 1.016,533 0.959,534 1.104,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31911,547 1.943,548 38.1,549 2,550 6,552 3,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.859,570 4.66,571 4.946,572 4.946,573 4.946,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.08,608 -0.01,609 0.333,610 0.275,611 0.074,612 0.016,613 0.418,614 -0.061,615 -0.06,616 -0.203,617 0.06,618 -0.103,619 -0.015,620 -0.01,621 -0.204,622 -0.036,623 -0.008,624 0.086,625 -0.151,626 0.135,627 -0.218,628 -0.144,629 -0.11,630 -0.006,631 -0.16,632 -0.008,633 0.012,634 0.052,635 -0.135,636 -0.028,637 -0.044,638 -0.122,639 0.211,640 -0.133,641 0.066,642 -0.117,643 0.14,644 -0.116,645 0.09,646 0.174,647 -0.025,648 -0.037,649 0.006,650 -0.086,651 5.73,652 4.947,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.417,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.031,893 4.614,894 8.542,895 17.097,897 13.195,899 3.042,900 79.083,903 1,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 37.905,917 140.379,918 111.769,920 141.253,921 7.76,922 176.567,923 150.768,924 123.927,927 153.024,928 147.47,931 66.069,932 51.128,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 25.419,942 64.618,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 113.457,968 19.711,969 9.188,970 6.33,972 176.898,973 8.827,974 7.689,978 -0.196,980 42.683,981 451.262,982 35,987 10.449,990 3.926,991 -0.741,994 43.894,995 48.464,996 0.348,997 0.716,998 0.864,999 0.917,1000 0.917,1001 0.917,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.176,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.659,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.015,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.461,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.201,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.434,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.359,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.502,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.514,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.621,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.674,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.768,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.84,1128 7498,1129 15838,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.748,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.098,1141 5.384,1142 6.46,1143 6.943,1144 5.268,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.021,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.472,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.374,1160 3.99,1161 4.019,1162 3.955,1163 3.909,1164 8.513,1165 3.914,1166 3.79,1167 3.836,1168 3.749,1169 3.643,1170 7.999,1171 3.661,1172 3.726,1173 3.774,1174 3.601,1175 3.567,1176 7.999,1177 3.563,1178 3.428,1179 3.458,1180 3.39,1181 3.148,1182 7.474,1183 3.188,1184 3.329,1185 3.369,1186 3.283,1187 3.061,1188 6.351,1189 3.101,1190 3.132,1191 3.182,1192 3.061,1193 2.906,1194 5.063,1195 2.932,1196 2.868,1197 2.917,1198 2.699,1199 2.565,1200 4.856,1201 2.585,1202 2.702,1203 2.776,1204 2.567,1205 2.525,1206 4.624,1207 2.539,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.2,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.021,1226 1.942,1227 1.919,1228 2.025,1229 2.042,1230 1.276,1231 2.034,1232 1.728,1233 1.685,1234 1.948,1235 1.904,1236 1.138,1237 1.914,1238 1.7,1239 1.649,1240 1.82,1241 1.887,1242 0.822,1243 1.875,1244 1.302,1245 1.264,1246 1.553,1247 1.607,1248 0.768,1249 1.576,1250 1.152,1251 1.115,1252 1.242,1253 1.454,1254 0.291,1255 1.368,1256 1.023,1257 0.973,1258 1.202,1259 1.298,1260 0.244,1261 1.256,1262 0.758,1263 0.71,1264 1.085,1265 1.114,1266 0.208,1267 1.109,1268 0.691,1269 0.626,1270 0.965,1271 0.912,1273 0.927,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.84,1289 8.573,1290 1.026,1292 5.17,1296 -4.48,1300 27.573,1301 78.726,1302 162.071,1303 195.722,1304 207.722,1305 207.722,1306 207.722,1307 80.659,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.286,1332 7.54,1333 11.58,1334 7.473,1335 6.168,1336 11.165,1337 7.725,1338 11.437,1339 0.318,1340 0.148,1341 9.479,1342 5.33,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.329,1348 6.108,1349 0.125,1350 0.043,1351 5.575,1352 2.089,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.317,1358 0.42,1359 80.115,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 154.875,1366 537.187,1367 678.76,1368 494,1369 140,1370 457.097,1371 161.286,1372 438.3,1373 644.72,1374 408,1375 7.409} {0 CHEMBL129867,1 1.874,2 10.577,3 3.078,4 9.477,5 86.365,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.159,13 3.352,14 4.368,15 4.514,16 3.9,17 3.633,18 6.142,19 3.657,20 4.553,21 4.753,22 3.84,23 3.703,24 5.854,25 3.704,26 4.565,27 4.767,28 3.839,29 3.612,30 5.935,31 3.651,32 4.485,33 4.656,34 3.852,35 3.581,36 5.878,37 3.644,38 4.495,39 4.669,40 3.83,41 3.62,42 5.97,43 3.642,44 4.512,45 4.711,46 3.81,47 3.642,48 6.014,49 3.614,50 4.486,51 4.718,52 3.639,53 3.578,54 5.838,55 3.532,56 0.281,57 0.802,58 6.17,59 3.909,60 45.126,61 4.069,62 1.023,63 1.509,64 13.947,65 6.009,66 173.764,67 6.673,68 0.814,69 1.273,70 19.577,71 7.085,72 104.307,73 8.562,74 1.035,75 1.3,76 21.332,77 6.737,78 142.263,79 7.429,80 0.922,81 1.226,82 17.988,83 5.839,84 112.848,85 6.118,86 1.029,87 1.243,88 17.541,89 5.843,90 117.708,91 6.596,92 1.091,93 1.244,94 18.754,95 6.677,96 98.003,97 8.518,98 0.825,99 1.329,100 19.32,101 7.089,102 111.815,103 8.807,104 36,105 36,106 0.33,107 0.677,108 0.818,109 0.889,110 0.897,111 0.897,112 3.304,113 0.859,114 -3.52,115 -3.5,116 -3.34,118 40.5,120 3,124 1,131 1,140 4,141 2,143 3,144 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 7,181 1,185 2,186 7,191 1,194 3,195 1,197 2,198 10,203 1,209 1,210 8,211 1,218 1,221 1,222 5,223 1,225 1,229 3,233 1,234 3,237 1,242 5,247 2,255 5,256 1,259 2,260 1,264 1,267 3,268 2,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.488,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.222,289 3.518,290 1.551,291 0.75,292 0.351,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.714,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.199,331 3.327,332 4.031,333 3.825,334 11.708,335 3.009,336 4.287,337 3.999,338 6.494,339 3.937,340 2.982,341 3.669,342 2.373,343 10.157,344 2.759,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.214,358 2.235,359 2.71,361 5.184,362 2.132,363 3.252,364 2.347,365 4.601,366 2.773,367 1.837,368 2.489,370 4.714,371 1.703,372 2.806,373 1.92,374 4.097,375 2.606,376 1.655,377 1.918,379 3.696,380 1.558,381 2.788,382 1.726,383 3.709,384 2.327,385 1.372,386 1.818,388 3.224,389 1.297,390 2.574,391 1.454,392 3.498,393 2.153,394 1.185,395 1.603,397 2.629,398 1.138,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.916,412 1,413 1.441,415 2.136,416 0.915,417 1.932,418 1,419 3.041,420 1.622,421 0.673,422 0.816,424 1.556,425 0.632,426 1.234,427 0.814,428 2.73,429 1.092,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.412,439 -0.549,440 -0.613,442 -1.231,443 -0.514,444 0.744,445 0.51,446 2.288,447 0.31,448 -0.658,449 -0.876,451 -1.549,452 -0.633,453 0.625,454 0.504,455 2,456 0.179,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.877,473 0.765,474 29.843,475 0.711,476 26.483,477 1.019,478 6.64,479 0.255,480 5.736,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.646,492 0.976,493 0.521,494 0.853,495 0.74,496 1.086,497 0.393,498 1.049,499 0.77,500 0.876,501 0.826,502 0.987,503 0.669,504 0.958,505 1.163,506 1.044,507 1.003,508 0.918,509 1.057,510 0.882,511 1.213,512 1.058,513 1.012,514 0.928,515 0.98,516 0.877,517 0.928,518 0.866,519 1.083,520 0.953,521 0.867,522 1.049,523 0.477,524 0.812,525 0.857,526 1.018,527 0.498,528 1.115,529 0.732,530 1.034,531 0.954,532 1.173,533 0.804,534 1.186,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31747,547 1.943,548 38.1,549 2,550 6,552 3,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.841,570 4.642,571 5.041,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.33,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.082,608 -0.01,609 0.323,610 0.188,611 0.08,612 -0.044,613 0.416,614 -0.092,615 -0.059,616 -0.115,617 0.075,618 -0.024,619 -0.017,620 0.053,621 -0.19,622 -0.093,623 -0.019,624 0.034,625 -0.154,626 0.083,627 -0.251,628 -0.152,629 -0.091,630 0.011,631 -0.168,632 0.038,633 -0.026,634 0.065,635 -0.19,636 -0.014,637 -0.069,638 -0.136,639 0.315,640 0.085,641 0.063,642 -0.042,643 0.19,644 -0.115,645 0.069,646 -0.048,647 0.016,648 -0.164,649 0.028,650 -0.129,651 5.735,652 4.943,653 0.462,654 26.083,655 1.045,656 1.154,657 2.292,658 5.254,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,793 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.428,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.037,893 4.622,894 8.542,895 17.097,897 13.186,899 3.042,900 79.083,903 1,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 37.905,917 140.379,918 111.769,920 141.253,921 7.76,922 176.567,923 150.768,924 123.927,927 153.024,928 147.47,931 69.254,932 47.943,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 24.99,942 65.047,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.898,973 8.859,974 7.946,978 -0.365,980 42.683,981 451.262,982 35,987 10.448,990 3.903,991 -0.792,994 43.894,995 48.464,996 0.348,997 0.712,998 0.861,999 0.935,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.173,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.7,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.647,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.99,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.437,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.167,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.4,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.317,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.458,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.463,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.568,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.615,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.706,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.773,1128 7498,1129 15800,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.756,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.068,1141 5.384,1142 6.46,1143 6.943,1144 5.267,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.009,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.472,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.373,1160 3.987,1161 4.017,1162 3.953,1163 3.904,1164 8.513,1165 3.908,1166 3.789,1167 3.837,1168 3.748,1169 3.631,1170 7.999,1171 3.653,1172 3.726,1173 3.775,1174 3.601,1175 3.566,1176 7.999,1177 3.562,1178 3.433,1179 3.462,1180 3.395,1181 3.165,1182 7.474,1183 3.203,1184 3.332,1185 3.37,1186 3.283,1187 3.078,1188 6.351,1189 3.109,1190 3.144,1191 3.192,1192 3.069,1193 2.931,1194 5.063,1195 2.955,1196 2.873,1197 2.92,1198 2.703,1199 2.632,1200 4.832,1201 2.617,1202 2.754,1203 2.828,1204 2.608,1205 2.544,1206 4.624,1207 2.582,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.199,1220 0.111,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.009,1226 1.937,1227 1.914,1228 2.021,1229 2.04,1230 1.276,1231 2.032,1232 1.723,1233 1.676,1234 1.948,1235 1.904,1236 1.131,1237 1.913,1238 1.7,1239 1.648,1240 1.818,1241 1.888,1242 0.78,1243 1.876,1244 1.308,1245 1.271,1246 1.554,1247 1.609,1248 0.76,1249 1.577,1250 1.177,1251 1.142,1252 1.291,1253 1.457,1254 0.37,1255 1.377,1256 1.039,1257 0.993,1258 1.204,1259 1.305,1260 0.258,1261 1.266,1262 0.771,1263 0.714,1264 1.089,1265 1.12,1266 0.21,1267 1.114,1268 0.758,1269 0.706,1270 1.044,1271 0.961,1272 0.113,1273 0.993,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.83,1289 8.572,1290 1.009,1292 5.158,1296 -4.485,1300 27.573,1301 78.726,1302 161.316,1303 194.968,1304 211.722,1305 213.722,1306 213.722,1307 80.663,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.286,1332 7.551,1333 11.582,1334 7.489,1335 6.176,1336 11.165,1337 7.735,1338 11.437,1339 0.318,1340 0.147,1341 9.479,1342 5.293,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.301,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.065,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.307,1358 0.42,1359 80.069,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.153,1366 536.73,1367 679.6,1368 494,1369 140,1370 459.449,1371 161.702,1372 439.058,1373 647.44,1374 410,1375 8.222} {0 CHEMBL129935,1 1.619,2 9.818,3 2.332,4 5.437,5 78.901,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.976,13 3.253,14 4.221,15 4.381,16 3.57,17 3.562,18 5.465,19 3.525,20 4.454,21 4.68,22 3.559,23 3.597,24 5.532,25 3.541,26 4.36,27 4.576,28 3.538,29 3.469,30 5.5,31 3.446,32 4.302,33 4.49,34 3.556,35 3.448,36 5.492,37 3.461,38 4.311,39 4.487,40 3.468,41 3.518,42 5.545,43 3.476,44 4.311,45 4.538,46 3.237,47 3.553,48 5.31,49 3.419,50 4.281,51 4.549,52 3.027,53 3.455,54 5.105,55 3.284,56 0.105,57 0.55,58 7.48,59 3.476,60 12.36,61 4.338,62 0.261,63 0.827,64 13.44,65 5.342,66 42.002,67 7.037,68 0.386,69 0.947,70 19.648,71 6.339,72 52.419,73 8.742,74 0.417,75 0.852,76 17.888,77 5.185,78 48.196,79 7.251,80 0.378,81 0.823,82 16.37,83 4.467,84 45.482,85 5.858,86 0.549,87 0.836,88 16.179,89 4.932,90 55.816,91 6.413,92 0.308,93 0.839,94 16.267,95 6.2,96 35.079,97 8.709,98 0.184,99 0.785,100 16.532,101 6.301,102 26.002,103 9.217,104 12,105 28,106 0.29,107 0.627,108 0.762,109 0.833,110 0.845,111 0.845,112 3.145,113 0.915,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 6,141 1,143 2,147 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 2,186 8,191 1,194 3,195 1,197 2,198 11,203 1,210 9,211 1,218 2,221 1,222 6,223 1,225 1,229 5,233 1,234 2,237 1,242 7,247 2,255 7,256 1,259 1,260 2,264 1,267 4,268 2,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.314,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.784,289 3.667,290 1.782,291 1.032,292 0.635,293 0.564,294 0.564,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 22.622,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.974,331 3.006,332 3.943,333 2.373,334 10.173,335 2.913,336 3.736,337 3.596,338 5.247,339 3.241,340 2.278,341 3.298,342 2.341,343 6.4,344 2.221,345 3.55,346 2.937,347 4.659,348 3.239,349 2.235,350 2.71,352 5.184,353 2.189,354 3.279,355 2.278,356 4.223,357 2.782,358 1.828,359 2.58,361 4.066,362 1.739,363 2.792,364 1.806,365 3.73,366 2.606,367 1.634,368 1.908,370 3.366,371 1.579,372 2.781,373 1.66,374 3.555,375 2.304,376 1.317,377 1.814,379 2.88,380 1.298,381 2.503,382 1.317,383 3.4,384 2.147,385 1.172,386 1.5,388 2.524,389 1.135,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.917,403 1,404 1.439,406 2.136,407 0.916,408 1.932,409 1,410 3,411 1.619,412 0.671,413 0.815,415 1.531,416 0.63,417 1.234,418 0.809,419 2.459,420 1.091,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.405,430 -0.555,431 -0.615,433 -1.223,434 -0.519,435 0.719,436 0.008,437 1.879,438 0.266,439 -0.705,440 -0.952,442 -1.547,443 -0.681,444 0.5,445 -0.614,446 1.555,447 0.018,448 -1,449 -1.213,451 -2,452 -0.93,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.946,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.583,473 0.663,474 24,475 0.615,476 19.732,477 0.897,478 5.959,479 0.271,480 4.812,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.704,492 0.985,493 0.713,494 1.265,495 0.927,496 1.187,497 0.5,498 1.117,499 1.036,500 0.977,501 0.93,502 0.907,503 0.989,504 0.9,505 1.181,506 1.062,507 0.932,508 0.874,509 0.969,510 0.849,511 1.674,512 1.062,513 1.1,514 0.823,515 1.188,516 0.819,517 1.334,518 0.93,519 1.325,520 0.906,521 1.059,522 1.061,523 0.548,524 0.972,525 1.124,526 1.128,527 0.414,528 1.228,529 0.357,530 1.009,531 0.972,532 1.164,533 0.41,534 1.189,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16161,547 2.022,548 43.6,549 2,550 8,552 2,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.503,570 4.253,571 4.651,572 4.721,573 4.721,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.032,608 -0.013,609 0.1,610 -0.175,611 -0.055,612 -0.161,613 0.178,614 -0.148,615 -0.074,616 0.003,617 0.054,618 0.05,619 -0.098,620 0.068,621 -0.051,622 -0.06,623 0.074,624 0.046,625 -0.077,626 0.078,627 -0.344,628 -0.003,629 -0.099,630 0.075,631 -0.226,632 0.055,633 -0.111,634 0.144,635 -0.366,636 0.029,637 -0.137,638 -0.169,639 0.05,640 0.029,641 -0.218,642 -0.108,643 0.048,644 -0.205,645 0.068,646 -0.078,647 -0.045,648 -0.137,649 0.033,650 -0.115,651 2.467,652 3.425,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.325,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.06,893 3.229,894 7.962,895 15.074,897 11.44,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 56.857,917 128.608,918 54.227,920 164.795,922 188.338,923 149.299,924 79.047,927 167.123,928 102.589,931 49.691,932 63.71,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 21.376,942 74.952,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 90.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.563,974 8.388,978 1.346,980 42.683,981 416.684,982 31,987 10.425,990 4.125,991 -0.245,994 39.473,995 44.03,996 0.306,997 0.663,998 0.805,999 0.88,1000 0.893,1001 0.893,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.981,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.136,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.347,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.417,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.02,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.575,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.885,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.698,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.87,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.814,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 12.925,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 13.934,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.019,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.059,1128 5050,1129 9204,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.514,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.429,1141 5.256,1142 5.999,1143 6.322,1144 5.043,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.913,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.414,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.366,1160 3.96,1161 3.995,1162 3.913,1163 3.875,1164 7.474,1165 3.876,1166 3.768,1167 3.816,1168 3.703,1169 3.627,1170 6.351,1171 3.642,1172 3.727,1173 3.775,1174 3.6,1175 3.567,1176 5.077,1177 3.563,1178 3.421,1179 3.447,1180 3.331,1181 3.16,1182 4.822,1183 3.191,1184 3.2,1185 3.241,1186 3.113,1187 3.043,1188 4.676,1189 3.052,1190 2.87,1191 2.925,1192 2.701,1193 2.735,1194 4.026,1195 2.715,1196 2.854,1197 2.917,1198 2.687,1199 2.546,1200 3.962,1201 2.576,1202 2.679,1203 2.776,1204 2.56,1205 2.491,1206 3.776,1207 2.495,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.974,1220 0.127,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.913,1226 1.921,1227 1.893,1228 2.027,1229 2.027,1230 1.276,1231 2.023,1232 1.723,1233 1.674,1234 1.949,1235 1.896,1236 1.094,1237 1.912,1238 1.702,1239 1.65,1240 1.837,1241 1.881,1242 0.784,1243 1.876,1244 1.309,1245 1.272,1246 1.555,1247 1.606,1248 0.768,1249 1.578,1250 1.148,1251 1.109,1252 1.286,1253 1.348,1254 0.37,1255 1.325,1256 0.886,1257 0.821,1258 1.181,1259 1.12,1260 0.218,1261 1.111,1262 0.755,1263 0.707,1264 1.085,1265 1.062,1266 0.209,1267 1.107,1268 0.634,1269 0.572,1270 0.921,1271 0.912,1273 0.918,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.571,1290 1.692,1292 5.301,1300 24.896,1301 63.134,1302 136.621,1303 165.866,1304 181.376,1305 184.131,1306 184.131,1307 40.422,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.91,1333 10.28,1334 6.803,1335 5.677,1336 10.771,1337 7.017,1338 8.845,1339 0.316,1340 0.163,1341 8.845,1342 4.562,1343 6.58,1344 0.199,1345 0.087,1346 6.58,1347 2.857,1348 5.267,1349 0.132,1350 0.045,1351 5.267,1352 1.793,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.119,1358 0.411,1359 68.142,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.524,1366 348.096,1367 460.55,1368 324,1369 112,1370 327.801,1371 123.531,1372 325.822,1373 462.72,1374 306,1375 4} {0 CHEMBL129995,1 1.59,2 10.652,3 3.115,4 9.702,5 86.002,6 7.462,7 0.5,8 3.818,9 3.929,10 3.368,11 3.325,12 5.014,13 3.311,14 4.3,15 4.469,16 3.603,17 3.641,18 5.499,19 3.59,20 4.543,21 4.775,22 3.589,23 3.699,24 5.563,25 3.623,26 4.479,27 4.706,28 3.571,29 3.598,30 5.542,31 3.545,32 4.441,33 4.645,34 3.595,35 3.585,36 5.556,37 3.559,38 4.444,39 4.639,40 3.502,41 3.627,42 5.531,43 3.561,44 4.448,45 4.681,46 3.329,47 3.599,48 5.507,49 3.47,50 4.344,51 4.62,52 3.105,53 3.467,54 5.254,55 3.302,56 0.095,57 0.588,58 8.423,59 3.815,60 12.231,61 4.881,62 0.257,63 0.889,64 15.152,65 5.944,66 43.08,67 7.99,68 0.347,69 1.021,70 21.655,71 7.221,72 50.49,73 10.13,74 0.364,75 0.945,76 20.4,77 6.285,78 47.469,79 8.909,80 0.393,81 0.917,82 19.436,83 5.827,84 48.139,85 7.833,86 0.403,87 0.923,88 19.133,89 6.258,90 46.543,91 8.359,92 0.471,93 0.924,94 19.638,95 6.654,96 55.858,97 9.555,98 0.296,99 0.826,100 18.088,101 6.245,102 38.512,103 9.413,104 13,105 29,106 0.28,107 0.617,108 0.775,109 0.864,110 0.875,111 0.875,112 3.187,113 0.938,114 -3.71,115 -3.68,116 -3.5,118 40.5,120 4,124 1,140 6,141 1,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 9,169 1,171 1,172 5,175 1,177 1,180 8,181 1,185 1,186 8,191 1,194 5,195 1,197 1,198 10,203 1,206 2,207 1,209 1,210 9,215 1,218 3,221 1,222 6,223 1,229 5,233 1,234 3,235 1,237 1,242 6,246 1,247 3,250 1,255 7,259 2,267 6,268 1,270 916,271 15.778,272 15.778,273 15.778,274 15.778,275 15.778,276 13.91,277 8.2,278 10.19,279 16.034,280 11.915,281 11.915,282 11.915,283 11.915,284 11.915,285 9.255,286 5.628,287 4.921,288 12.286,289 3.803,290 1.892,291 0.995,292 0.494,293 0.429,294 0.429,295 3.857,298 1,299 1,300 1,301 505,302 3.742,306 175.781,313 1.554,314 22.456,315 1,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 50.5,326 245,327 4.369,328 3.999,329 6.498,330 3.983,331 3.006,332 3.943,333 2.373,334 10.173,335 2.936,336 3.736,337 3.596,338 5.247,339 3.254,340 2.278,341 3.298,342 2.341,343 6.4,344 2.223,345 3.55,346 2.937,347 4.659,348 3.241,349 2.236,350 2.71,352 5.184,353 2.221,354 3.28,355 2.278,356 4.224,357 2.806,358 1.854,359 2.58,361 4.075,362 1.76,363 2.83,364 1.838,365 3.789,366 2.656,367 1.685,368 1.908,370 3.497,371 1.634,372 2.781,373 1.698,374 3.555,375 2.294,376 1.317,377 1.85,379 2.88,380 1.281,381 2.578,382 1.318,383 3.465,384 2.257,385 1.313,386 1.542,388 2.743,389 1.231,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.942,403 1,404 1.5,406 2.136,407 0.939,408 2.138,409 1,410 3.151,411 1.816,412 0.848,413 1.038,415 1.91,416 0.816,417 1.517,418 0.871,419 2.674,420 1.336,421 0.37,422 0.413,424 0.815,425 0.355,426 0.964,427 0.66,428 2.198,429 0.779,430 -0.212,431 -0.227,433 -0.459,434 -0.208,435 0.719,436 0.28,437 2.158,438 0.273,439 -0.705,440 -0.864,442 -1.547,443 -0.682,444 0.621,445 -0.348,446 1.62,447 0.198,448 -0.76,449 -0.952,451 -1.67,452 -0.716,453 0.5,454 -0.627,455 1.555,457 -1,458 -1.295,460 -2,461 -0.922,462 10.7,463 0.465,464 0.315,465 0.014,466 29.25,467 1.272,468 15,469 0.652,470 14.25,471 0.62,472 16.233,473 0.706,474 25.3,475 0.602,476 20.007,477 0.87,478 5.958,479 0.259,480 5.313,481 0.231,482 0.062,484 0.187,487 0.713,488 1.279,489 0.792,490 1.138,491 0.69,492 1.012,493 0.71,494 1.207,495 0.953,496 1.17,497 0.491,498 1.118,499 0.996,500 0.992,501 0.932,502 0.936,503 0.947,504 0.926,505 1.125,506 1.041,507 0.933,508 0.923,509 0.908,510 0.891,511 1.504,512 0.935,513 1.061,514 0.852,515 1.067,516 0.862,517 1.382,518 1.011,519 1.235,520 1.011,521 1.078,522 1.083,523 0.708,524 1.033,525 1.134,526 1.073,527 0.804,528 1.165,529 0.39,530 0.936,531 0.948,532 1.02,533 0.354,534 1.077,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.066,544 0.051,545 5804,546 18432,547 2.021,548 45.2,549 4,550 8,552 2,553 1,554 2,555 2,558 1.656,559 1.944,560 3.345,561 -0.284,562 1,563 1,565 1,567 66.77,568 1.59,569 3.5,570 4.398,571 4.898,572 4.964,573 4.964,574 2.699,575 3.567,576 4.488,577 3.571,578 903.52,579 7.725,580 11000.6,581 1,582 1,584 1,585 226.477,586 1.068,587 4.48,588 0.104,589 0.008,590 0.054,591 0.036,592 0.017,593 0.009,594 0.01,595 0.008,596 0.004,597 0.004,598 0.253,599 0.33,600 1,601 2.076,602 110.277,603 0.051,604 -0.091,605 0.032,606 -0.029,607 -0.013,608 -0.013,609 0.096,610 -0.109,611 -0.066,612 -0.129,613 0.184,614 -0.131,615 -0.076,616 -0.02,617 0.042,618 0.043,619 -0.085,620 0.058,621 -0.071,622 -0.059,623 0.063,624 0.026,625 -0.062,626 0.064,627 -0.234,628 0.081,629 -0.055,630 0.085,631 -0.158,632 0.058,633 -0.223,634 0.005,635 -0.262,636 -0.037,637 -0.21,638 -0.14,639 0.114,640 -0.053,641 -0.181,642 -0.089,643 -0.003,644 -0.174,645 0.146,646 0.015,647 -0.001,648 -0.037,649 0.126,650 -0.048,651 2.431,652 3.426,653 0.522,654 22.514,655 1.008,656 1.13,657 2.482,658 6.159,659 0.654,660 3.219,661 3.401,662 3.555,663 3.738,664 3.892,665 3.784,666 3.85,667 3.829,668 3.714,669 3.611,670 6.525,671 0.629,672 313.39,673 3.219,674 4.673,675 5.451,676 6.26,677 7.064,678 7.886,679 8.705,680 9.536,681 10.363,682 11.199,683 7.1,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 42,726 14,727 1,728 24,730 43,731 17,733 10,734 1,735 5,736 1,739 2,740 2,751 4,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,772 19,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 23,845 1,846 5,848 1,862 7.1,864 1,865 1,867 1,869 11.833,870 7.3,871 5.389,872 2.564,874 2.037,875 1.328,876 0.907,877 7.052,878 8.255,879 3.497,880 3.951,881 4.413,882 4.914,883 5.402,884 5.398,885 5.772,886 5.982,887 6.093,888 6.171,889 0.857,890 28,891 8.434,893 3.366,894 7.92,895 15.891,897 12.116,899 2.42,900 55.667,903 1,904 211.88,905 98.863,906 52.971,908 79.047,911 98.863,912 290.927,913 52.971,915 14.731,916 56.857,917 128.608,918 54.227,920 188.338,922 211.88,923 151.834,924 79.047,927 188.338,928 102.589,931 54.553,932 63.71,933 33.571,935 211.88,936 132.018,937 98.863,940 211.88,941 24.339,942 74.523,944 132.018,945 211.88,946 132.018,947 98.863,949 0.541,950 0.289,951 0.158,952 0.087,953 10,954 4,955 0.209,956 9,958 1,959 3.671,960 159.992,962 12,963 100.042,968 16.946,969 9.571,970 6.07,972 132.018,973 14.586,974 8.127,978 1.606,980 42.683,981 442.761,982 32,987 10.426,990 4.207,991 -0.113,994 42.356,995 47.445,996 0.295,997 0.649,998 0.816,999 0.908,1000 0.921,1001 0.921,1002 4.644,1003 1,1004 5.342,1005 2.743,1006 4.078,1007 4.635,1008 3.036,1009 6.004,1010 4.021,1011 5.776,1012 1,1013 6.795,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 7.012,1021 0.848,1022 8.362,1023 2.136,1024 5.493,1025 6.651,1026 4.616,1027 9.809,1028 5.392,1029 8.287,1030 0.37,1031 10.01,1032 1.91,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.46,1038 9.602,1039 -0.212,1040 11.717,1041 0.815,1042 7.216,1043 8.968,1044 6.289,1045 14.117,1046 7.073,1047 10.945,1048 -0.705,1049 13.468,1050 -0.459,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.634,1056 12.313,1057 -0.76,1058 15.251,1059 -1.547,1060 9.136,1061 11.447,1062 7.991,1063 18.634,1064 8.95,1065 3.006,1066 -1,1067 17.057,1068 -1.67,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.772,1074 2.278,1075 10.173,1076 18.879,1077 -2,1078 11.181,1079 14.023,1080 9.704,1081 23.227,1082 10.95,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.904,1092 1.854,1093 5.184,1094 22.557,1095 3.298,1096 13.3,1097 16.66,1098 11.42,1099 27.849,1100 13.021,1101 1.685,1102 4.075,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.04,1110 1.317,1111 3.497,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 13.139,1117 32.481,1118 15.131,1119 1.313,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.181,1128 5880,1129 10576,1130 16.178,1131 27.472,1132 34.221,1133 36.124,1134 34.342,1135 33.814,1136 33.815,1137 44.566,1138 9.428,1139 83.899,1140 32.791,1141 5.277,1142 5.999,1143 6.36,1144 5.054,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.936,1150 9.248,1151 1.426,1152 1.505,1153 1.431,1154 1.409,1155 1.409,1156 1.857,1157 0.393,1158 3.496,1159 1.366,1160 3.964,1161 3.998,1162 3.917,1163 3.883,1164 7.474,1165 3.884,1166 3.767,1167 3.815,1168 3.702,1169 3.632,1170 6.351,1171 3.644,1172 3.749,1173 3.803,1174 3.617,1175 3.602,1176 5.07,1177 3.595,1178 3.493,1179 3.527,1180 3.385,1181 3.258,1182 4.852,1183 3.275,1184 3.225,1185 3.268,1186 3.154,1187 3.015,1188 4.676,1189 3.039,1190 3.016,1191 3.065,1192 2.859,1193 2.751,1194 4.092,1195 2.773,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.93,1201 2.715,1202 2.777,1203 2.86,1204 2.63,1205 2.592,1206 3.799,1207 2.592,1208 0.182,1209 0.167,1210 0.271,1211 0.166,1212 0.125,1213 4.369,1214 0.164,1215 3.999,1216 0.099,1217 6.498,1218 0.424,1219 3.983,1220 0.122,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.936,1226 1.927,1227 1.899,1228 2.031,1229 2.029,1230 1.329,1231 2.027,1232 1.743,1233 1.69,1234 1.986,1235 1.919,1236 1.102,1237 1.942,1238 1.716,1239 1.669,1240 1.828,1241 1.879,1242 0.94,1243 1.872,1244 1.417,1245 1.372,1246 1.676,1247 1.68,1248 0.8,1249 1.67,1250 1.125,1251 1.08,1252 1.3,1253 1.397,1254 0.453,1255 1.357,1256 0.941,1257 0.892,1258 1.211,1259 1.222,1260 0.288,1261 1.218,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.763,1269 0.683,1270 1.052,1271 0.996,1272 0.047,1273 1.022,1274 3.892,1276 5.106,1278 6.512,1280 8.011,1282 9.564,1289 8.576,1290 2.86,1292 5.392,1300 26.423,1301 66.77,1302 146.993,1303 184.703,1304 205.722,1305 208.477,1306 208.477,1307 43.941,1308 6.219,1309 84.67,1310 84.67,1311 12,1312 11.77,1313 3.907,1314 3.17,1315 45.392,1316 84,1317 101,1318 0.246,1319 168.006,1320 294.39,1321 401.694,1322 3384,1324 16.33,1325 0.71,1326 0.555,1327 16.33,1328 12.76,1329 11.271,1330 0.47,1331 0.313,1332 7.399,1333 10.773,1334 7.279,1335 6.082,1336 11.271,1337 7.507,1338 9.199,1339 0.317,1340 0.17,1341 9.199,1342 4.938,1343 6.83,1344 0.201,1345 0.093,1346 6.83,1347 3.154,1348 5.444,1349 0.133,1350 0.049,1351 5.444,1352 2.004,1353 4.284,1354 0.089,1355 0.026,1356 4.284,1357 1.245,1358 0.394,1359 71.188,1360 0.249,1361 23.183,1362 0.652,1363 106,1364 370.556,1365 118.191,1366 352.451,1367 465.35,1368 328,1369 116,1370 329.449,1371 127.004,1372 328.612,1373 464.6,1374 308,1375 5} {0 CHEMBL130236,1 1.839,2 11.407,3 4.057,4 16.46,5 91.976,6 8.475,7 0.429,8 3.911,9 4.012,10 3.546,11 3.38,12 5.189,13 3.404,14 4.437,15 4.592,16 3.928,17 3.704,18 6.164,19 3.711,20 4.634,21 4.843,22 3.865,23 3.785,24 5.876,25 3.766,26 4.656,27 4.871,28 3.866,29 3.704,30 5.967,31 3.719,32 4.583,33 4.772,34 3.879,35 3.678,36 5.912,37 3.713,38 4.593,39 4.779,40 3.852,41 3.708,42 5.962,43 3.712,44 4.614,45 4.814,46 3.858,47 3.705,48 6.108,49 3.672,50 4.549,51 4.784,52 3.67,53 3.617,54 5.853,55 3.571,56 0.26,57 0.839,58 7.179,59 4.249,60 42.459,61 4.602,62 1.022,63 1.57,64 15.938,65 6.693,66 175.193,67 7.699,68 0.778,69 1.345,70 22.171,71 7.934,72 101.585,73 10.009,74 1.016,75 1.382,76 24.275,77 7.482,78 140.017,79 8.792,80 0.906,81 1.305,82 21.104,83 6.766,84 113.62,85 7.605,86 0.982,87 1.308,88 20.832,89 6.89,90 116.847,91 8.091,92 1.258,93 1.305,94 22.042,95 7.257,96 121.569,97 9.418,98 0.768,99 1.389,100 21.273,101 7.592,102 101.179,103 9.418,104 37,105 37,106 0.32,107 0.661,108 0.816,109 0.897,110 0.897,111 0.897,112 3.339,113 0.882,114 -4.56,115 -4.49,116 -4.22,118 40,120 4,124 1,131 1,140 5,141 2,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 9,169 1,171 1,172 5,175 1,177 1,180 8,181 1,185 1,186 8,191 1,194 5,195 1,197 1,198 10,203 1,206 2,207 1,209 1,210 9,215 1,218 3,221 1,222 6,223 1,229 5,233 1,234 3,235 1,237 1,242 6,246 1,247 3,250 1,255 7,259 2,267 6,268 1,270 1439,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.896,277 12.655,278 10.954,279 18.204,280 13.872,281 13.872,282 13.872,283 13.872,284 13.872,285 11.204,286 9.782,287 5.263,288 14.729,289 3.653,290 1.689,291 0.797,292 0.328,293 0.328,294 0.328,295 4.004,298 1,299 1,300 1,301 626,302 4.528,306 207.942,313 1.652,314 50.927,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 63,326 308,327 4.497,328 4.46,329 7.119,330 4.199,331 3.327,332 4.031,333 3.825,334 11.708,335 3.01,336 4.287,337 3.999,338 6.494,339 3.938,340 2.982,341 3.669,342 2.373,343 10.157,344 2.762,345 3.679,346 3.596,347 5.279,348 3.241,349 2.261,350 3.099,351 2.341,352 6.538,353 2.222,354 3.55,355 2.942,356 4.659,357 3.216,358 2.236,359 2.71,361 5.184,362 2.138,363 3.252,364 2.347,365 4.601,366 2.803,367 1.859,368 2.489,370 4.715,371 1.747,372 2.834,373 1.924,374 4.099,375 2.66,376 1.706,377 1.918,379 3.746,380 1.606,381 2.797,382 1.785,383 3.771,384 2.33,385 1.38,386 1.852,388 3.324,389 1.295,390 2.595,391 1.463,392 3.507,393 2.259,394 1.314,395 1.608,397 2.774,398 1.232,399 2.558,400 1.318,401 3.471,402 2.092,403 1.113,404 1.539,406 2.532,407 1.078,408 2.5,409 1.171,410 3.247,411 1.942,412 1,413 1.5,415 2.136,416 0.939,417 2.138,418 1,419 3.194,420 1.818,421 0.85,422 1.04,424 1.941,425 0.817,426 1.517,427 0.875,428 2.751,429 1.337,430 0.371,431 0.414,433 0.824,434 0.355,435 0.968,436 0.661,437 2.679,438 0.78,439 -0.212,440 -0.227,442 -0.463,443 -0.208,444 0.756,445 0.51,446 2.302,447 0.329,448 -0.651,449 -0.847,451 -1.549,452 -0.635,453 0.649,454 0.51,455 2.162,456 0.207,457 -0.747,458 -0.889,460 -1.662,461 -0.699,462 12.057,463 0.447,464 0.71,465 0.026,466 32,467 1.185,468 15,469 0.556,470 17,471 0.63,472 21.628,473 0.801,474 31.143,475 0.692,476 26.807,477 0.993,478 6.637,479 0.246,480 6.239,481 0.231,482 0.126,483 0.041,484 0.207,485 3,487 0.618,488 1.04,489 0.656,490 1.154,491 0.636,492 1.001,493 0.494,494 0.821,495 0.756,496 1.092,497 0.378,498 1.068,499 0.733,500 0.894,501 0.803,502 1.011,503 0.637,504 0.969,505 1.115,506 1.035,507 0.98,508 0.924,509 1.004,510 0.89,511 1.152,512 0.99,513 0.986,514 0.923,515 0.923,516 0.883,517 0.996,518 0.851,519 1.069,520 0.986,521 0.87,522 1.048,523 0.529,524 0.812,525 0.9,526 0.998,527 0.622,528 1.1,529 0.804,530 1.218,531 0.937,532 1.193,533 0.813,534 1.153,535 5.5,536 0.157,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.408,543 0.23,544 0.158,545 8344,546 34952,547 1.946,548 40,549 4,550 7,552 2,553 1,554 2,555 2,558 1.703,559 1.81,560 3.425,561 -0.236,563 1,567 82.751,568 1.839,569 3.803,570 4.695,571 5.164,572 5.164,573 5.164,574 2.844,575 4.282,576 4.718,577 3.669,578 1287.65,579 8.207,580 17316.4,582 1,584 1,585 247.133,586 1.525,587 4.669,588 0.196,589 0.009,590 0.072,591 0.043,592 0.025,593 0.021,594 0.018,595 0.013,596 0.009,597 0.008,598 0.414,599 0.17,600 1,601 2.138,602 135.709,603 -0.01,604 -0.068,605 0.014,606 -0.029,607 -0.073,608 -0.011,609 0.343,610 0.223,611 0.078,612 -0.039,613 0.424,614 -0.093,615 -0.039,616 -0.134,617 0.099,618 -0.028,619 0.004,620 0.059,621 -0.165,622 -0.1,623 0.004,624 0.033,625 -0.124,626 0.087,627 -0.216,628 -0.102,629 -0.049,630 0.025,631 -0.133,632 0.059,633 -0.088,634 0.052,635 -0.153,636 -0.026,637 -0.093,638 -0.103,639 0.32,640 0.062,641 0.037,642 -0.033,643 0.148,644 -0.117,645 0.009,646 -0.24,647 0.033,648 -0.19,649 0.016,650 -0.109,651 5.724,652 4.977,653 0.444,654 28.752,655 1.04,656 1.153,657 3.334,658 11.116,659 0.645,660 3.367,661 3.638,662 3.761,663 3.932,664 4.127,665 4.127,666 4.248,667 4.205,668 4.174,669 4.111,670 6.933,671 0.647,672 381.39,673 3.367,674 4.875,675 5.666,676 6.515,677 7.336,678 8.193,679 9.031,680 9.894,681 10.742,682 11.609,683 6.7,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 45,726 14,727 1,728 28,730 46,731 18,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 4,753 12,754 6,756 2,761 1,764 1,765 2,769 1,770 3,772 18,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 27,845 1,846 5,848 1,852 1,861 3,862 6.7,864 1,865 1,867 1,869 14.917,870 7.895,871 6.056,872 2.678,874 2.084,875 1.316,876 0.909,877 7.6,878 8.679,879 3.611,880 4.111,881 4.564,882 5.067,883 5.583,884 5.714,885 6.099,886 6.274,887 6.458,888 6.61,889 1,890 36,891 10.409,893 4.753,894 8.485,895 17.913,897 13.852,899 2.985,900 80.583,903 1,904 200.109,905 100.332,906 52.971,908 79.047,909 44.88,911 100.332,912 279.156,913 97.851,915 14.731,916 47.381,917 128.608,918 102.293,920 176.567,921 7.76,922 200.109,923 153.303,924 123.927,927 176.567,928 147.47,931 62.313,932 57.419,933 33.571,935 244.989,936 132.018,937 100.332,940 207.868,941 27.525,942 65.047,944 176.898,945 200.109,946 176.898,947 100.332,949 0.568,950 0.295,951 0.148,952 0.083,953 14,954 7,955 0.196,956 9,958 1,959 3.857,960 207.68,962 12,963 123.627,968 20.698,969 9.914,970 6.897,972 176.898,973 8.992,974 7.814,978 -0.25,980 42.683,981 477.339,982 36,987 10.444,990 3.963,991 -0.696,994 46.778,995 51.879,996 0.335,997 0.693,998 0.855,999 0.94,1000 0.94,1001 0.94,1002 4.82,1003 1.314,1004 5.659,1005 3.324,1006 4.317,1007 4.796,1008 3.705,1009 6.444,1010 4.203,1011 6.01,1012 1.113,1013 7.21,1014 2.774,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.7,1020 7.302,1021 1,1022 8.89,1023 2.532,1024 5.927,1025 6.873,1026 5.787,1027 10.604,1028 5.67,1029 8.634,1030 0.85,1031 10.654,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.992,1038 10.002,1039 0.371,1040 12.473,1041 1.941,1042 7.907,1043 9.255,1044 8.215,1045 15.219,1046 7.453,1047 11.397,1048 -0.212,1049 14.33,1050 0.824,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.171,1056 12.811,1057 -0.651,1058 16.212,1059 -0.463,1060 10.084,1061 11.793,1062 10.797,1063 19.995,1064 9.411,1065 3.327,1066 -0.747,1067 18.111,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.322,1074 2.982,1075 11.708,1076 20.023,1077 -1.662,1078 12.361,1079 14.417,1080 13.441,1081 24.831,1082 11.467,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.47,1092 2.236,1093 6.538,1094 23.871,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.576,1101 1.859,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.622,1110 1.706,1111 4.715,1112 27.739,1113 2.71,1114 17.035,1115 19.803,1116 18.786,1117 34.574,1118 15.714,1119 1.38,1120 3.746,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.781,1128 8556,1129 17688,1130 17.97,1131 29.046,1132 41.551,1133 42.004,1134 41.026,1135 41.04,1136 40.8,1137 51.74,1138 17.079,1139 111.157,1140 38.405,1141 5.405,1142 6.46,1143 6.981,1144 5.27,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.01,1150 15.574,1151 1.484,1152 1.5,1153 1.465,1154 1.466,1155 1.457,1156 1.848,1157 0.61,1158 3.97,1159 1.372,1160 3.989,1161 4.018,1162 3.954,1163 3.906,1164 8.513,1165 3.911,1166 3.791,1167 3.838,1168 3.748,1169 3.643,1170 7.999,1171 3.66,1172 3.75,1173 3.803,1174 3.617,1175 3.603,1176 7.999,1177 3.596,1178 3.497,1179 3.531,1180 3.413,1181 3.259,1182 7.474,1183 3.278,1184 3.35,1185 3.392,1186 3.331,1187 3.092,1188 6.351,1189 3.135,1190 3.178,1191 3.223,1192 3.11,1193 2.919,1194 5.067,1195 2.951,1196 3.006,1197 3.058,1198 2.853,1199 2.75,1200 4.845,1201 2.771,1202 2.777,1203 2.86,1204 2.631,1205 2.593,1206 4.624,1207 2.594,1208 0.161,1209 0.159,1210 0.254,1211 0.15,1212 0.119,1213 4.497,1214 0.144,1215 4.46,1216 0.137,1217 7.119,1218 0.418,1219 4.199,1220 0.108,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.01,1226 1.939,1227 1.916,1228 2.023,1229 2.041,1230 1.329,1231 2.033,1232 1.744,1233 1.693,1234 1.986,1235 1.921,1236 1.133,1237 1.942,1238 1.722,1239 1.674,1240 1.826,1241 1.894,1242 0.94,1243 1.878,1244 1.418,1245 1.373,1246 1.676,1247 1.682,1248 0.807,1249 1.67,1250 1.175,1251 1.139,1252 1.301,1253 1.47,1254 0.454,1255 1.391,1256 1.038,1257 0.992,1258 1.22,1259 1.361,1260 0.313,1261 1.308,1262 0.939,1263 0.888,1264 1.199,1265 1.208,1266 0.249,1267 1.203,1268 0.763,1269 0.684,1270 1.052,1271 0.996,1272 0.047,1273 1.022,1274 4.043,1276 5.323,1278 6.786,1280 8.336,1282 9.939,1286 38.931,1289 8.575,1290 2.048,1292 5.236,1296 -4.474,1300 29.1,1301 82.751,1302 171.143,1303 211.259,1304 232.379,1305 232.379,1306 232.379,1307 85.479,1308 6.596,1309 84.67,1310 84.67,1311 12,1312 12.159,1313 3.907,1314 3.17,1315 58.332,1316 103,1317 137,1318 0.256,1319 181.193,1320 329.9,1321 433.87,1322 5362,1323 6.7,1324 19.7,1325 0.73,1326 0.53,1327 17.2,1328 14.316,1329 12.876,1330 0.46,1331 0.294,1332 8.051,1333 12.082,1334 7.979,1335 6.594,1336 11.665,1337 8.235,1338 11.791,1339 0.319,1340 0.153,1341 9.833,1342 5.651,1343 8.119,1344 0.193,1345 0.085,1346 7.157,1347 3.57,1348 6.285,1349 0.126,1350 0.045,1351 5.751,1352 2.251,1353 5.039,1354 0.083,1355 0.023,1356 4.484,1357 1.423,1358 0.406,1359 83.069,1360 0.236,1361 26.297,1362 0.692,1363 130,1364 654.889,1365 159.208,1366 541.026,1367 685.4,1368 498,1369 144,1370 463.449,1371 165.48,1372 443.567,1373 653.48,1374 414,1375 5} {0 CHEMBL130341,1 1.59,2 10.652,3 2.686,4 7.216,5 86.374,6 7.462,7 0.5,8 3.818,9 3.929,10 3.368,11 3.325,12 5.016,13 3.311,14 4.3,15 4.469,16 3.599,17 3.647,18 5.492,19 3.595,20 4.54,21 4.766,22 3.59,23 3.709,24 5.557,25 3.63,26 4.502,27 4.739,28 3.572,29 3.6,30 5.558,31 3.547,32 4.43,33 4.622,34 3.601,35 3.588,36 5.562,37 3.557,38 4.449,39 4.656,40 3.502,41 3.616,42 5.519,43 3.551,44 4.446,45 4.682,46 3.329,47 3.571,48 5.519,49 3.453,50 4.307,51 4.573,52 3.097,53 3.465,54 5.227,55 3.303,56 0.095,57 0.588,58 8.423,59 3.815,60 12.342,61 4.881,62 0.266,63 0.887,64 15.178,65 5.967,66 43.438,67 7.991,68 0.304,69 1.019,70 21.363,71 7.314,72 47.589,73 10.251,74 0.388,75 0.965,76 21.156,77 6.416,78 50.623,79 9.048,80 0.441,81 0.897,82 19.114,83 5.941,84 47.953,85 7.939,86 0.336,87 0.941,88 19.247,89 6.15,90 44.759,91 8.452,92 0.52,93 0.917,94 19.881,95 6.26,96 59.142,97 9.05,98 0.281,99 0.804,100 17.16,101 6.131,102 36.475,103 9.102,104 13,105 29,106 0.28,107 0.617,108 0.766,109 0.838,110 0.85,111 0.85,112 3.187,113 0.937,114 -3.71,115 -3.68,116 -3.5,118 40.5,120 4,124 1,140 5,141 2,143 2,146 1,153 1,154 1,162 1,163 1,167 1,168 9,169 1,171 1,172 6,175 1,177 1,180 9,181 1,186 7,191 1,194 6,195 1,197 2,198 9,203 1,206 2,207 1,209 2,210 10,215 1,218 3,222 6,223 1,229 4,233 1,234 4,235 1,237 1,242 6,246 1,247 2,250 1,255 7,259 2,267 5,268 2,270 916,271 15.778,272 15.778,273 15.778,274 15.778,275 15.778,276 13.91,277 8.2,278 10.19,279 16.027,280 11.915,281 11.915,282 11.915,283 11.915,284 11.915,285 9.255,286 5.628,287 4.921,288 12.274,289 3.803,290 1.895,291 1.045,292 0.637,293 0.571,294 0.571,295 3.857,298 1,299 1,300 1,301 505,302 3.742,306 175.781,313 1.554,314 22.286,315 1,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 50.5,326 245,327 4.369,328 3.999,329 6.498,330 3.99,331 3.006,332 3.943,333 2.373,334 10.173,335 2.957,336 3.736,337 3.596,338 5.247,339 3.261,340 2.278,341 3.298,342 2.341,343 6.4,344 2.24,345 3.55,346 2.937,347 4.659,348 3.241,349 2.236,350 2.71,352 5.184,353 2.222,354 3.28,355 2.278,356 4.224,357 2.805,358 1.854,359 2.58,361 4.075,362 1.758,363 2.83,364 1.838,365 3.789,366 2.652,367 1.685,368 1.908,370 3.497,371 1.628,372 2.781,373 1.698,374 3.555,375 2.294,376 1.317,377 1.85,379 2.88,380 1.281,381 2.578,382 1.318,383 3.465,384 2.26,385 1.313,386 1.542,388 2.743,389 1.233,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.917,403 1,404 1.5,406 2.136,407 0.916,408 2.138,409 1,410 3.151,411 1.82,412 0.848,413 1.038,415 1.91,416 0.819,417 1.517,418 0.871,419 2.674,420 1.339,421 0.37,422 0.413,424 0.815,425 0.356,426 0.964,427 0.66,428 2.198,429 0.779,430 -0.212,431 -0.227,433 -0.459,434 -0.208,435 0.719,436 0.28,437 2.158,438 0.264,439 -0.705,440 -0.864,442 -1.547,443 -0.668,444 0.621,445 -0.348,446 1.62,447 0.189,448 -0.76,449 -0.952,451 -1.67,452 -0.716,453 0.5,454 -0.627,455 1.555,457 -1,458 -1.295,460 -2,461 -0.946,462 10.7,463 0.465,464 0.315,465 0.014,466 29.25,467 1.272,468 15,469 0.652,470 14.25,471 0.62,472 16.24,473 0.706,474 25.3,475 0.602,476 20,477 0.87,478 5.956,479 0.259,480 5.314,481 0.231,482 0.062,484 0.187,487 0.713,488 1.279,489 0.792,490 1.138,491 0.685,492 1.012,493 0.722,494 1.137,495 0.961,496 1.133,497 0.501,498 1.098,499 0.98,500 1.119,501 0.936,502 1.018,503 0.939,504 0.983,505 1.146,506 0.881,507 0.926,508 0.849,509 0.908,510 0.838,511 1.43,512 1.005,513 1.056,514 0.901,515 1.037,516 0.912,517 1.3,518 1.105,519 1.176,520 1.04,521 1.046,522 1.072,523 0.864,524 0.949,525 1.169,526 0.966,527 0.867,528 1.091,529 0.391,530 0.927,531 0.985,532 1.05,533 0.364,534 1.117,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.066,544 0.051,545 5804,546 18432,547 2.021,548 45.2,549 4,550 7,552 3,553 1,554 2,555 2,558 1.656,559 1.944,560 3.345,561 -0.284,562 1,563 1,565 1,567 66.77,568 1.59,569 3.497,570 4.348,571 4.755,572 4.821,573 4.821,574 2.699,575 3.567,576 4.488,577 3.571,578 903.52,579 7.725,580 11000.6,581 1,582 1,584 1,585 226.477,586 1.068,587 4.48,588 0.104,589 0.008,590 0.054,591 0.036,592 0.017,593 0.009,594 0.01,595 0.008,596 0.004,597 0.004,598 0.253,599 0.33,600 1,601 2.076,602 110.277,603 0.051,604 -0.091,605 0.032,606 -0.029,607 -0.008,608 -0.013,609 0.084,610 -0.037,611 -0.075,612 -0.091,613 0.174,614 -0.11,615 -0.084,616 -0.154,617 0.027,618 -0.023,619 -0.088,620 0.012,621 -0.083,622 0.103,623 0.08,624 0.084,625 -0.062,626 0.111,627 -0.128,628 -0.004,629 -0.053,630 0.057,631 -0.126,632 0.016,633 -0.235,634 -0.084,635 -0.206,636 -0.078,637 -0.193,638 -0.126,639 0.055,640 0.042,641 -0.195,642 -0.012,643 -0.032,644 -0.125,645 0.137,646 0.037,647 -0.052,648 -0.053,649 0.113,650 -0.085,651 2.431,652 3.426,653 0.522,654 22.514,655 1.008,656 1.13,657 2.482,658 6.159,659 0.654,660 3.219,661 3.401,662 3.555,663 3.738,664 3.892,665 3.784,666 3.85,667 3.829,668 3.714,669 3.611,670 6.525,671 0.629,672 313.39,673 3.219,674 4.673,675 5.451,676 6.26,677 7.064,678 7.886,679 8.705,680 9.536,681 10.363,682 11.199,683 7.1,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 42,726 14,727 1,728 24,730 43,731 17,733 10,734 1,735 5,736 1,739 2,740 2,751 4,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,772 19,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 23,845 1,846 5,848 1,862 7.1,864 1,865 1,867 1,869 11.833,870 7.3,871 5.389,872 2.553,874 2.037,875 1.328,876 0.907,877 7.052,878 8.255,879 3.497,880 3.951,881 4.413,882 4.914,883 5.402,884 5.398,885 5.772,886 5.982,887 6.093,888 6.171,889 0.857,890 28,891 8.433,893 3.364,894 7.92,895 15.891,897 12.124,899 2.42,900 55.667,903 1,904 211.88,905 98.863,906 52.971,908 79.047,911 98.863,912 290.927,913 52.971,915 14.731,916 47.381,917 140.379,918 63.703,920 176.567,922 211.88,923 151.834,924 79.047,927 188.338,928 102.589,931 60.844,932 57.419,933 33.571,935 211.88,936 132.018,937 98.863,940 211.88,941 24.768,942 74.095,944 132.018,945 211.88,946 132.018,947 98.863,949 0.541,950 0.289,951 0.158,952 0.087,953 10,954 4,955 0.209,956 9,958 1,959 3.671,960 159.992,962 12,963 96.042,968 16.946,969 9.571,970 6.07,972 132.018,973 14.538,974 8.026,978 1.706,980 42.683,981 442.761,982 32,987 10.426,990 4.217,991 -0.087,994 42.356,995 47.445,996 0.295,997 0.649,998 0.806,999 0.882,1000 0.894,1001 0.894,1002 4.644,1003 1,1004 5.342,1005 2.743,1006 4.078,1007 4.635,1008 3.036,1009 6.004,1010 4.025,1011 5.776,1012 1,1013 6.795,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 7.012,1021 0.848,1022 8.362,1023 2.136,1024 5.493,1025 6.651,1026 4.616,1027 9.809,1028 5.405,1029 8.287,1030 0.37,1031 10.01,1032 1.91,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.498,1038 9.602,1039 -0.212,1040 11.717,1041 0.815,1042 7.216,1043 8.968,1044 6.289,1045 14.117,1046 7.101,1047 10.945,1048 -0.705,1049 13.468,1050 -0.459,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.685,1056 12.313,1057 -0.76,1058 15.251,1059 -1.547,1060 9.136,1061 11.447,1062 7.991,1063 18.634,1064 8.996,1065 3.006,1066 -1,1067 17.057,1068 -1.67,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.835,1074 2.278,1075 10.173,1076 18.879,1077 -2,1078 11.181,1079 14.023,1080 9.704,1081 23.227,1082 11.013,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.981,1092 1.854,1093 5.184,1094 22.557,1095 3.298,1096 13.3,1097 16.66,1098 11.42,1099 27.849,1100 13.1,1101 1.685,1102 4.075,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.13,1110 1.317,1111 3.497,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 13.139,1117 32.481,1118 15.226,1119 1.313,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.284,1128 5880,1129 10574,1130 16.178,1131 27.472,1132 34.221,1133 36.124,1134 34.342,1135 33.804,1136 33.815,1137 44.566,1138 9.428,1139 83.899,1140 32.821,1141 5.277,1142 5.999,1143 6.36,1144 5.058,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.957,1150 9.248,1151 1.426,1152 1.505,1153 1.431,1154 1.408,1155 1.409,1156 1.857,1157 0.393,1158 3.496,1159 1.368,1160 3.967,1161 4,1162 3.919,1163 3.888,1164 7.474,1165 3.889,1166 3.766,1167 3.814,1168 3.701,1169 3.633,1170 6.351,1171 3.644,1172 3.749,1173 3.802,1174 3.617,1175 3.603,1176 5.065,1177 3.595,1178 3.492,1179 3.526,1180 3.384,1181 3.257,1182 4.864,1183 3.274,1184 3.222,1185 3.266,1186 3.152,1187 3.001,1188 4.676,1189 3.029,1190 3.017,1191 3.067,1192 2.861,1193 2.751,1194 4.082,1195 2.774,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.962,1201 2.715,1202 2.679,1203 2.776,1204 2.56,1205 2.536,1206 3.85,1207 2.53,1208 0.182,1209 0.167,1210 0.271,1211 0.166,1212 0.125,1213 4.369,1214 0.164,1215 3.999,1216 0.099,1217 6.498,1218 0.424,1219 3.99,1220 0.123,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.957,1226 1.93,1227 1.903,1228 2.034,1229 2.03,1230 1.329,1231 2.029,1232 1.743,1233 1.69,1234 1.986,1235 1.919,1236 1.108,1237 1.942,1238 1.715,1239 1.668,1240 1.822,1241 1.878,1242 0.94,1243 1.87,1244 1.416,1245 1.371,1246 1.676,1247 1.68,1248 0.81,1249 1.669,1250 1.116,1251 1.069,1252 1.297,1253 1.396,1254 0.453,1255 1.355,1256 0.942,1257 0.893,1258 1.211,1259 1.224,1260 0.258,1261 1.22,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.679,1269 0.614,1270 0.963,1271 0.943,1272 0.047,1273 0.95,1274 3.892,1276 5.106,1278 6.512,1280 8.011,1282 9.564,1289 8.576,1290 2.866,1292 5.397,1300 26.423,1301 66.77,1302 146.894,1303 182.603,1304 199.722,1305 202.477,1306 202.477,1307 44.25,1308 6.219,1309 84.67,1310 84.67,1311 12,1312 11.77,1313 3.907,1314 3.17,1315 45.392,1316 84,1317 101,1318 0.246,1319 168.006,1320 294.39,1321 401.694,1322 3384,1324 16.33,1325 0.71,1326 0.555,1327 16.33,1328 12.76,1329 11.271,1330 0.47,1331 0.312,1332 7.388,1333 10.771,1334 7.263,1335 6.074,1336 11.271,1337 7.497,1338 9.199,1339 0.317,1340 0.171,1341 9.199,1342 4.971,1343 6.83,1344 0.201,1345 0.093,1346 6.83,1347 3.163,1348 5.444,1349 0.133,1350 0.049,1351 5.444,1352 2.019,1353 4.284,1354 0.089,1355 0.026,1356 4.284,1357 1.249,1358 0.394,1359 71.234,1360 0.249,1361 23.183,1362 0.652,1363 106,1364 370.556,1365 117.858,1366 352.774,1367 464.47,1368 328,1369 116,1370 327.097,1371 126.81,1372 327.507,1373 461.6,1374 306,1375 5} {0 CHEMBL130365,1 1.874,2 10.577,3 3.762,4 14.15,5 88.385,6 8.747,7 0.444,8 3.852,9 3.95,10 3.512,11 3.323,12 5.165,13 3.354,14 4.364,15 4.506,16 3.9,17 3.64,18 6.138,19 3.66,20 4.562,21 4.765,22 3.84,23 3.703,24 5.854,25 3.705,26 4.568,27 4.773,28 3.84,29 3.604,30 5.941,31 3.648,32 4.474,33 4.642,34 3.852,35 3.577,36 5.876,37 3.642,38 4.495,39 4.669,40 3.83,41 3.62,42 5.97,43 3.642,44 4.512,45 4.711,46 3.81,47 3.642,48 6.014,49 3.614,50 4.486,51 4.718,52 3.639,53 3.578,54 5.838,55 3.532,56 0.286,57 0.803,58 6.198,59 4.015,60 45.349,61 4.127,62 1.008,63 1.51,64 13.733,65 6.185,66 172.571,67 6.863,68 0.82,69 1.275,70 19.965,71 7.051,72 105.681,73 8.658,74 1.05,75 1.298,76 21.547,77 6.562,78 143.456,79 7.238,80 0.912,81 1.223,82 17.573,83 5.767,84 111.25,85 5.963,86 1.029,87 1.243,88 17.541,89 5.843,90 117.708,91 6.596,92 1.091,93 1.244,94 18.754,95 6.677,96 98.003,97 8.518,98 0.825,99 1.329,100 19.32,101 7.089,102 111.815,103 8.807,104 36,105 36,106 0.33,107 0.666,108 0.815,109 0.897,110 0.897,111 0.897,112 3.304,113 0.861,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 6,141 2,143 1,144 1,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 5,175 1,177 1,180 7,181 1,185 1,186 10,191 1,194 4,195 1,197 2,198 12,203 1,206 3,209 1,210 9,211 1,218 5,221 1,222 5,223 1,225 1,229 7,233 1,234 3,237 1,242 8,247 2,255 7,256 1,259 2,260 1,264 1,267 4,268 3,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.431,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.131,289 3.518,290 1.617,291 0.768,292 0.304,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 49.964,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.199,331 3.327,332 4.031,333 3.825,334 11.708,335 3.012,336 4.287,337 3.999,338 6.494,339 3.939,340 2.982,341 3.669,342 2.373,343 10.157,344 2.765,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.225,358 2.235,359 2.71,361 5.184,362 2.159,363 3.252,364 2.347,365 4.601,366 2.781,367 1.837,368 2.489,370 4.714,371 1.715,372 2.806,373 1.92,374 4.097,375 2.61,376 1.655,377 1.918,379 3.696,380 1.566,381 2.788,382 1.726,383 3.709,384 2.331,385 1.372,386 1.818,388 3.224,389 1.302,390 2.574,391 1.454,392 3.498,393 2.153,394 1.185,395 1.603,397 2.629,398 1.138,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.983,412 1,413 1.441,415 2.136,416 0.982,417 1.932,418 1,419 3.041,420 1.623,421 0.673,422 0.816,424 1.556,425 0.633,426 1.234,427 0.814,428 2.73,429 1.094,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.415,439 -0.549,440 -0.613,442 -1.231,443 -0.518,444 0.744,445 0.51,446 2.288,447 0.33,448 -0.658,449 -0.876,451 -1.549,452 -0.647,453 0.625,454 0.504,455 2,456 0.19,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31,467 1.192,468 15,469 0.577,470 16,471 0.615,472 20.051,473 0.771,474 29.843,475 0.711,476 26.31,477 1.012,478 6.593,479 0.254,480 5.783,481 0.222,482 0.132,483 0.043,484 0.216,485 3,487 0.602,488 0.944,489 0.633,490 1.098,491 0.64,492 0.964,493 0.495,494 0.875,495 0.724,496 1.136,497 0.382,498 1.087,499 0.773,500 0.906,501 0.818,502 0.994,503 0.664,504 0.954,505 1.184,506 1.026,507 1.017,508 0.877,509 1.065,510 0.851,511 1.229,512 1.072,513 1.025,514 0.94,515 0.993,516 0.888,517 0.928,518 0.866,519 1.083,520 0.953,521 0.867,522 1.049,523 0.477,524 0.812,525 0.857,526 1.018,527 0.498,528 1.115,529 0.732,530 1.034,531 0.954,532 1.173,533 0.804,534 1.186,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31739,547 1.943,548 38.1,549 2,550 8,552 1,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,563 1,567 78.726,568 1.874,569 3.775,570 4.624,571 5.089,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 0.01,604 0.014,605 0.014,606 0.008,607 -0.076,608 0.002,609 0.343,610 0.169,611 0.091,612 -0.076,613 0.425,614 -0.116,615 -0.066,616 -0.153,617 0.089,618 -0.032,619 -0.015,620 0.063,621 -0.206,622 -0.077,623 -0.028,624 0.06,625 -0.161,626 0.103,627 -0.26,628 -0.156,629 -0.111,630 0.001,631 -0.176,632 0.02,633 -0.026,634 0.065,635 -0.19,636 -0.014,637 -0.069,638 -0.136,639 0.315,640 0.085,641 0.063,642 -0.042,643 0.19,644 -0.115,645 0.069,646 -0.048,647 0.016,648 -0.164,649 0.028,650 -0.129,651 5.735,652 4.943,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.446,874 2.101,875 1.321,876 0.908,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.034,893 4.622,894 8.542,895 17.097,897 13.203,899 3.042,900 79.083,903 1,904 176.567,905 98.655,906 52.726,908 79.047,909 44.88,911 98.655,912 255.614,913 97.606,915 12.196,916 56.857,917 116.592,918 93.674,920 164.795,921 7.76,922 176.567,923 151.381,924 123.927,927 153.024,928 147.47,931 51.16,932 66.895,933 33.326,935 221.447,936 131.773,937 98.655,940 184.326,941 24.99,942 65.905,944 176.653,945 176.567,946 176.653,947 98.655,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.653,973 9.234,974 7.571,978 -0.365,980 42.683,981 451.875,982 35,987 10.448,990 3.903,991 -0.792,994 43.894,995 48.464,996 0.348,997 0.7,998 0.858,999 0.944,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.184,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.7,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.664,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.994,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.456,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.176,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.418,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.329,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.476,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.479,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.586,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.633,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.726,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.793,1128 7498,1129 15804,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.78,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.326,1141 5.384,1142 6.46,1143 6.943,1144 5.236,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.012,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.382,1160 3.988,1161 4.017,1162 3.953,1163 3.906,1164 8.513,1165 3.91,1166 3.793,1167 3.838,1168 3.749,1169 3.657,1170 7.999,1171 3.67,1172 3.727,1173 3.775,1174 3.601,1175 3.568,1176 7.999,1177 3.563,1178 3.434,1179 3.462,1180 3.395,1181 3.169,1182 7.474,1183 3.206,1184 3.332,1185 3.37,1186 3.283,1187 3.078,1188 6.351,1189 3.109,1190 3.143,1191 3.191,1192 3.069,1193 2.927,1194 5.093,1195 2.952,1196 2.869,1197 2.918,1198 2.7,1199 2.569,1200 4.852,1201 2.585,1202 2.701,1203 2.772,1204 2.566,1205 2.526,1206 4.624,1207 2.542,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.199,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.012,1226 1.939,1227 1.916,1228 2.023,1229 2.041,1230 1.276,1231 2.032,1232 1.741,1233 1.699,1234 1.948,1235 1.905,1236 1.134,1237 1.914,1238 1.703,1239 1.651,1240 1.85,1241 1.889,1242 0.855,1243 1.882,1244 1.309,1245 1.273,1246 1.555,1247 1.609,1248 0.77,1249 1.578,1250 1.177,1251 1.142,1252 1.28,1253 1.457,1254 0.365,1255 1.377,1256 1.036,1257 0.99,1258 1.203,1259 1.304,1260 0.256,1261 1.265,1262 0.758,1263 0.71,1264 1.086,1265 1.117,1266 0.209,1267 1.111,1268 0.692,1269 0.63,1270 0.963,1271 0.904,1272 0.023,1273 0.926,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.83,1289 8.572,1290 1.009,1292 5.158,1296 -4.485,1300 27.573,1301 78.726,1302 158.561,1303 194.213,1304 213.722,1305 213.722,1306 213.722,1307 81.169,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.287,1332 7.572,1333 11.583,1334 7.511,1335 6.198,1336 11.165,1337 7.752,1338 11.437,1339 0.318,1340 0.148,1341 9.479,1342 5.311,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.31,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.071,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.313,1358 0.42,1359 80.069,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.153,1366 537.29,1367 681.2,1368 494,1369 140,1370 464.981,1371 161.73,1372 443.063,1373 651.48,1374 414,1375 4} {0 CHEMBL130453,1 1.766,2 5.706,3 1.451,4 2.105,5 67.598,6 9.358,7 0.579,8 3.405,9 3.498,10 3.243,11 3.077,12 4.613,13 3.036,14 3.871,15 4.007,16 3.611,17 3.438,18 5.048,19 3.392,20 3.988,21 4.127,22 3.597,23 3.464,24 5.264,25 3.424,26 4.022,27 4.171,28 3.588,29 3.426,30 5.301,31 3.379,32 3.952,33 4.108,34 3.499,35 3.415,36 5.133,37 3.305,38 3.902,39 4.092,40 3.12,41 3.226,42 5.004,43 3.051,44 3.651,45 3.952,46 2.107,47 2.55,48 4.714,49 2.332,50 2.581,51 2.973,52 0.366,53 1.246,54 3.178,55 0.932,56 0.048,57 0.403,58 3.404,59 2.178,60 3.15,61 2.321,62 0.16,63 0.658,64 8.725,65 3.644,66 8.997,67 3.697,68 0.154,69 0.698,70 9.193,71 4.152,72 17.269,73 4.472,74 0.216,75 0.717,76 9.623,77 4.265,78 29.329,79 4.153,80 0.181,81 0.693,82 9.875,83 4.423,84 18.193,85 4.209,86 0.163,87 0.639,88 15.41,89 5.489,90 14.042,91 5.346,92 0.209,93 0.451,94 11.616,95 3.858,96 26.793,97 4.774,98 0.082,99 0.134,100 5.309,101 1.539,102 12.16,103 2.101,104 5,105 27,106 0.343,107 0.687,108 0.788,109 0.832,110 0.862,111 0.877,112 2.911,113 0.947,114 -3.11,115 -3.11,116 -2.99,118 46.2,123 1,140 4,141 2,143 1,150 1,153 1,154 1,156 1,162 1,168 6,171 1,172 4,180 6,185 1,186 7,194 4,197 1,198 8,206 2,209 1,210 5,218 2,222 3,229 1,233 1,234 1,270 267,271 11.621,272 11.621,273 11.621,274 11.621,275 11.621,276 10.075,277 7.233,278 6.845,279 11.969,280 9.367,281 9.367,282 9.367,283 9.367,284 9.367,285 6.975,286 5.974,287 3.226,288 9.902,289 2.935,290 1.164,291 0.644,292 0.414,293 0.26,294 0.183,295 3.584,299 1,300 1,301 210,302 1.732,305 34.888,306 70.048,310 60.294,313 0.817,314 14.61,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 36.5,326 97,327 4.576,328 3.726,329 6.855,330 4.224,331 3.242,332 4.187,333 1.058,334 11.377,335 3.186,336 4.027,337 3.088,338 6.134,339 3.608,340 2.663,341 3.568,343 8.764,344 2.512,345 3.581,346 2.422,347 5.529,348 3.239,349 2.272,350 2.831,352 6.881,353 2.185,354 3.335,355 2.139,356 4.822,357 2.78,358 1.854,359 2.619,361 5.127,362 1.698,363 2.84,364 1.648,365 3.837,366 2.42,367 1.425,368 1.963,370 3.103,371 1.416,372 2.598,373 1.327,374 3.661,375 2.086,376 1.141,377 1.632,379 2.716,380 1.07,381 2.379,382 1.169,383 3.405,384 1.808,385 0.823,386 1.23,388 1.991,389 0.797,390 2.118,391 0.836,392 3.041,393 1.432,394 0.618,395 0.927,397 1.372,398 0.492,399 1.88,400 0.618,401 3,402 1.305,403 0.331,404 0.472,406 0.808,407 0.318,408 0.958,409 -0.188,410 2.594,411 0.544,412 -0.441,413 -0.549,415 -1.127,416 -0.432,417 0.631,418 -0.55,419 2.077,420 0.184,421 -0.819,422 -1.029,424 -2,425 -0.808,426 0.353,427 -0.816,428 2,429 0.018,430 -0.956,431 -1.323,433 -2.391,434 -0.934,435 -0.039,436 -0.965,437 1.696,438 -0.363,439 -1.354,440 -1.72,442 -3.223,443 -1.224,444 -0.105,445 -1.357,446 1.348,447 -0.565,448 -1.497,449 -1.98,451 -3.922,452 -1.325,453 -0.118,454 -1.598,455 1.184,456 -0.735,457 -1.618,458 -2.21,460 -4.372,461 -1.449,462 8.367,463 0.492,464 0.401,465 0.024,466 24,467 1.412,468 13,469 0.765,470 11,471 0.647,472 10.507,473 0.618,474 16.833,475 0.647,476 14.75,477 0.868,478 4.764,479 0.28,480 3.507,481 0.206,482 0.1,484 0.347,487 0.575,488 1.033,489 0.645,490 0.81,491 0.53,492 0.783,493 0.8,494 0.961,495 0.848,496 0.814,497 0.642,498 0.705,499 0.865,500 1.118,501 0.795,502 0.981,503 0.86,504 0.943,505 1.467,506 1.043,507 0.84,508 0.864,509 1.641,510 0.924,511 1.218,512 0.977,513 1.196,514 1.037,515 1.117,516 1.099,517 0.942,518 1.263,519 1.745,520 1.699,521 0.907,522 1.493,523 0.942,524 0.789,525 0.953,526 0.917,527 1.033,528 1.143,529 0.907,530 0.239,531 0.457,532 0.274,533 1.121,534 0.485,535 2.5,537 2.222,538 1.215,539 1.178,540 0.476,541 0.27,542 0.056,545 2136,546 6848,547 2.127,548 34.6,550 7,552 2,558 1.579,559 2,560 2.599,561 -0.692,565 1,567 45.908,568 1.766,569 3.536,570 4.056,571 4.287,572 4.441,573 4.518,574 1.904,575 3.617,576 4.064,577 2.662,578 361.98,579 6.912,580 3213.99,582 1,584 1,585 122.211,586 1.379,587 4.023,588 0.132,590 0.082,591 0.045,592 0.047,593 0.023,594 0.021,595 0.014,598 0.363,599 0.67,600 1,601 0.604,602 67.748,603 0.069,604 -0.026,605 0.064,606 0.017,607 -0.043,609 0.013,610 0.091,611 0.04,612 0.103,613 -0.023,614 0.142,615 0.062,616 -0.159,617 -0.015,618 -0.132,619 0.09,620 -0.077,621 -0.199,622 -0.081,623 -0.015,624 0.003,625 -0.184,626 -0.059,627 -0.219,628 0.038,629 -0.175,630 -0.033,631 -0.148,632 -0.193,633 -0.096,634 -0.312,635 -0.415,636 -0.487,637 -0.066,638 -0.422,639 0.118,640 0.056,641 0.068,642 0.048,643 0.09,644 0.062,645 0.145,646 0.484,647 0.731,648 0.801,649 0.051,650 1.016,651 1.742,652 4.938,653 0.882,654 8.747,655 1.014,656 1.11,657 1.885,658 3.552,659 0.746,660 2.996,661 3.332,662 3.664,663 3.951,664 4.159,665 4.22,666 4.248,667 4.205,668 4.111,669 3.784,670 3.795,671 0.713,672 243.31,673 2.996,674 4.533,675 5.407,676 6.301,677 7.197,678 8.098,679 8.999,680 9.903,681 10.806,682 11.71,683 11.5,690 1,692 1,693 1,699 6,700 1,703 1,704 3,706 11,724 26,726 13,727 1,728 19,730 28,731 12,733 9,734 2,735 4,736 2,739 3,740 4,742 1,753 11,754 1,756 2,761 1,764 1,765 2,769 1,772 9,773 4,775 5,776 1,779 3,784 0.667,785 1,801 1,802 2,806 1,832 2,834 1,836 1,840 17,851 1,855 1,862 3.8,865 1,869 8.5,870 5.183,871 3.722,872 1.446,874 2.344,875 1.367,876 1.018,877 2.429,878 8.737,879 3.314,880 3.907,881 4.545,882 5.121,883 5.552,884 5.846,885 6.175,886 6.417,887 6.657,888 6.619,889 0.75,890 27,891 6.248,893 2.679,894 7.804,895 11.801,897 9.65,899 2.304,900 39.167,901 0.002,904 105.94,905 109.038,906 36.45,908 25.145,910 31.278,911 77.76,912 131.085,913 36.45,914 8.396,915 3.002,916 37.905,917 80.154,918 32.082,919 1.358,920 113.675,922 105.94,923 114.21,924 25.145,925 31.278,927 105.94,928 25.145,931 35.932,932 61.492,933 16.786,934 31.278,935 105.94,936 61.595,937 109.038,940 105.94,941 46.469,942 65.571,944 58.593,945 105.94,946 61.595,947 109.038,949 0.583,950 0.36,951 0.204,952 0.108,953 15,954 6,955 0.036,956 1,957 1,958 1.133,959 2.893,960 126.596,961 0.133,962 15,963 69.487,964 1,968 10.453,969 3.951,970 1.641,972 61.595,973 11.039,974 4.049,977 1.516,978 2.532,981 276.573,982 26.5,987 11.938,990 4.318,991 0.735,994 26.36,995 28.87,996 0.376,997 0.752,998 0.863,999 0.912,1000 0.945,1001 0.961,1002 4.541,1003 0.618,1004 5.398,1005 1.991,1006 4.007,1007 4.59,1008 1.176,1009 6.256,1010 3.921,1011 5.753,1012 0.331,1013 6.986,1014 1.372,1015 3.611,1016 4.27,1018 7.256,1019 3.525,1020 7.063,1021 -0.441,1022 8.682,1023 0.808,1024 5.631,1025 6.764,1026 1.255,1027 10.42,1028 5.49,1029 8.415,1030 -0.819,1031 10.442,1032 -1.127,1033 6.111,1034 7.343,1036 12.261,1037 5.967,1038 9.803,1039 -0.956,1040 12.242,1041 -2,1042 7.579,1043 9.224,1044 1.338,1045 14.942,1046 7.405,1047 11.216,1048 -1.354,1049 14.069,1050 -2.391,1051 8.444,1052 10.226,1054 17.116,1055 8.264,1056 12.65,1057 -1.497,1058 15.915,1059 -3.223,1060 9.712,1061 11.851,1062 1.422,1063 19.637,1064 9.512,1065 3.242,1066 -1.618,1067 17.774,1068 -3.922,1069 10.747,1070 13.063,1072 21.952,1073 10.539,1074 2.663,1075 11.377,1076 19.643,1077 -4.372,1078 11.944,1079 14.575,1080 1.51,1081 24.414,1082 11.72,1083 2.272,1084 8.764,1085 21.52,1086 4.187,1087 13.053,1088 15.892,1090 26.792,1091 12.82,1092 1.854,1093 6.881,1094 23.404,1095 3.568,1096 14.228,1097 17.354,1098 1.599,1099 29.233,1100 13.98,1101 1.425,1102 5.127,1103 25.293,1104 2.831,1105 15.37,1106 18.723,1108 31.639,1109 15.111,1110 1.141,1111 3.103,1112 27.187,1113 2.619,1114 16.539,1115 20.165,1116 1.69,1117 34.072,1118 16.266,1119 0.823,1120 2.716,1121 29.084,1122 1.963,1123 17.698,1124 21.561,1126 36.491,1127 17.411,1128 2109,1129 3872,1130 12.83,1131 19.404,1132 29.56,1133 30.061,1134 29.41,1135 28.659,1136 28.739,1137 38.857,1138 2.117,1139 84.276,1140 27.349,1141 5.423,1142 5.726,1143 6.534,1144 5.308,1145 5.242,1146 7.187,1147 2.117,1148 18.964,1149 5.186,1150 6.426,1151 1.556,1152 1.582,1153 1.548,1154 1.508,1155 1.513,1156 2.045,1157 0.111,1158 4.436,1159 1.439,1160 4.021,1161 4.045,1162 4.228,1163 3.962,1164 7.428,1165 3.949,1166 3.743,1167 3.765,1168 3.901,1169 3.737,1170 4.924,1171 3.668,1172 3.471,1173 3.541,1174 3.393,1175 3.233,1176 4.717,1177 3.26,1178 3.018,1179 3.077,1180 2.989,1181 2.886,1182 4.423,1183 2.888,1184 2.981,1185 3.033,1186 2.779,1187 2.788,1188 3.799,1189 2.773,1190 2.634,1191 2.686,1192 2.598,1193 2.447,1194 3.591,1195 2.448,1196 2.404,1197 2.465,1198 2.504,1199 2.267,1200 3.342,1201 2.214,1202 2.354,1203 2.444,1204 2.253,1205 2.138,1206 3.146,1207 2.143,1208 0.241,1209 0.196,1210 0.361,1211 0.222,1212 0.171,1213 4.576,1214 0.22,1215 3.726,1216 0.056,1217 6.855,1218 0.599,1219 4.224,1220 0.168,1221 3.242,1222 4.187,1223 1.058,1224 11.377,1225 3.186,1226 1.956,1227 1.936,1228 2.033,1229 2.056,1230 1.152,1231 2.048,1232 1.48,1233 1.452,1234 1.66,1235 1.679,1236 0.709,1237 1.679,1238 1.321,1239 1.27,1240 1.487,1241 1.522,1242 0.64,1243 1.516,1244 1.217,1245 1.177,1246 1.254,1247 1.326,1248 0.303,1249 1.385,1250 0.962,1251 0.902,1252 1.183,1253 1.191,1254 0.241,1255 1.192,1256 0.873,1257 0.826,1258 1.035,1259 1.002,1260 0.189,1261 1.057,1262 0.414,1263 0.388,1264 0.601,1265 0.714,1267 0.681,1268 0.301,1269 0.216,1270 0.572,1271 0.597,1273 0.607,1274 3.664,1276 4.99,1277 2.398,1278 6.532,1279 4.443,1280 8.181,1281 6.293,1282 9.889,1284 1.666,1295 1.372,1300 18.547,1301 45.908,1302 91.947,1303 105.457,1304 111.457,1305 115.457,1306 117.457,1307 20.853,1308 6.394,1309 47.78,1310 76.02,1311 17,1312 12.229,1313 3.807,1314 3.087,1315 23.457,1316 39,1317 31,1318 0.318,1319 118.717,1320 199.1,1321 281.429,1322 4014,1324 11.828,1325 0.696,1326 0.585,1327 12.182,1328 9.939,1329 8.271,1330 0.435,1331 0.316,1332 5.124,1333 7.506,1334 4.897,1335 4.076,1336 8.725,1337 6,1338 7.393,1339 0.274,1340 0.169,1341 7.976,1342 4.575,1343 6.647,1344 0.175,1345 0.09,1346 7.313,1347 3.402,1348 5.541,1349 0.109,1350 0.048,1351 6.203,1352 2.434,1353 4.336,1354 0.069,1355 0.024,1356 4.751,1357 1.532,1358 0.46,1359 56.311,1360 0.279,1361 16.479,1362 1.002,1363 92,1364 287.531,1365 122.576,1366 301.482,1367 414.04,1368 282,1369 111,1370 293.963,1371 138.916,1372 313.415,1373 458.84,1374 293,1375 5.235} {0 CHEMBL130470,1 1.637,2 14.714,3 5.737,4 32.911,5 140.376,6 8.017,7 0.486,8 4.225,9 4.322,10 3.964,11 3.843,12 5.317,13 3.782,14 4.756,15 4.911,16 4.264,17 4.219,18 6.027,19 4.13,20 5.031,21 5.223,22 4.336,23 4.391,24 6.101,25 4.266,26 5.125,27 5.313,28 4.252,29 4.394,30 6.27,31 4.273,32 5.164,33 5.379,34 4.274,35 4.41,36 6.236,37 4.283,38 5.153,39 5.379,40 4.285,41 4.435,42 6.201,43 4.291,44 5.162,45 5.406,46 4.128,47 4.387,48 6.13,49 4.229,50 5.061,51 5.304,52 4.063,53 4.246,54 6.11,55 4.101,56 0.093,57 0.864,58 14.885,59 6.5,60 21.278,61 7.789,62 0.429,63 1.397,64 24.989,65 10.664,66 74.948,67 13.385,68 0.358,69 1.773,70 43.251,71 15.602,72 69.871,73 18.503,74 0.546,75 1.873,76 46.695,77 16.451,78 113.336,79 19.162,80 0.586,81 1.93,82 44.552,83 16.015,84 114.393,85 19.99,86 0.489,87 1.962,88 43.74,89 16.634,90 81.351,91 21.885,92 0.34,93 1.929,94 43.314,95 16.978,96 72.203,97 22.546,98 0.369,99 1.666,100 42.357,101 15.073,102 74.417,103 19.882,104 45,105 50,106 0.26,107 0.573,108 0.758,109 0.859,110 0.866,111 0.866,112 3.588,113 1.079,114 -4.91,115 -4.82,116 -4.52,118 42.2,119 1,120 4,124 2,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 3,172 5,175 1,177 1,180 22,181 1,186 10,191 1,194 22,195 1,198 15,203 1,206 17,207 1,210 8,215 1,218 20,219 1,222 12,227 1,229 20,230 2,234 9,239 2,242 15,243 3,247 8,248 1,252 3,255 14,256 3,258 1,259 7,262 1,264 3,267 9,268 1,270 2324,271 23.316,272 23.316,273 23.316,274 23.316,275 23.316,276 20.459,277 18.145,278 13.961,279 23.764,280 18.173,281 18.173,282 18.173,283 18.173,284 18.173,285 13.892,286 14.909,287 6.517,288 18.91,289 4.363,290 2.386,291 1.222,292 0.586,293 0.543,294 0.543,295 4.268,297 1,300 1,301 1069,302 4.95,306 432.454,313 2.114,314 43.579,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 75.333,326 515,327 4.93,328 4.725,329 7.665,330 4.43,331 3.508,332 4.758,333 2.341,334 13.601,335 3.208,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.4,343 10.18,344 3.011,345 3.912,346 3.04,347 5.596,348 3.523,349 2.531,350 3.471,352 7.154,353 2.514,354 3.852,355 2.906,356 5.405,357 3.362,358 2.436,359 3.409,361 6.721,362 2.23,363 3.556,364 2.737,365 5.133,366 3.237,367 2.232,368 2.923,370 6.132,371 2.219,372 3.532,373 2.464,374 5.001,375 3.116,376 2.136,377 2.709,379 5.692,380 2.093,381 3.2,382 2.166,383 4.659,384 2.865,385 1.956,386 2.388,388 5.184,389 1.725,390 3.046,391 1.903,392 4.234,393 2.612,394 1.623,395 2.224,397 3.855,398 1.597,399 2.787,400 1.546,401 4.139,402 2.382,403 1.403,404 1.792,406 3.693,407 1.367,408 2.72,409 1.481,410 3.564,411 2.322,412 1.365,413 1.74,415 2.946,416 1.272,417 2.5,418 1.134,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.321,438 1.957,439 1,440 1.5,442 2.136,443 0.955,444 2.237,445 1,446 3.247,447 1.893,448 0.903,449 1.128,451 2.089,452 0.891,453 1.834,454 0.902,455 3.163,456 1.699,457 0.714,458 0.779,460 1.452,461 0.702,462 17.181,463 0.491,464 0.865,465 0.025,466 44.75,467 1.279,468 24,469 0.686,470 20.75,471 0.593,472 32.029,473 0.915,474 38.019,475 0.594,476 37.602,477 1.074,478 8.66,479 0.247,480 8.147,481 0.233,482 0.148,483 0.049,484 0.227,487 0.562,488 1.265,489 0.741,490 1.139,491 0.671,492 0.963,493 0.523,494 1.049,495 0.764,496 0.921,497 0.475,498 0.966,499 0.923,500 1.057,501 1.164,502 1.141,503 0.841,504 0.996,505 1.288,506 1.114,507 1.224,508 1.179,509 1.364,510 1.1,511 1.114,512 0.954,513 0.741,514 0.825,515 1.239,516 0.977,517 0.46,518 1.052,519 0.785,520 1.041,521 0.458,522 1.074,523 0.589,524 1.025,525 0.747,526 0.973,527 0.612,528 1.036,529 0.806,530 0.999,531 0.889,532 0.955,533 0.747,534 1.007,535 7.5,536 0.318,537 4.667,538 2.438,539 1.436,540 1.028,541 0.768,542 0.613,543 0.353,544 0.308,545 18451,546 59300,547 1.987,548 45.3,549 4,550 15,552 2,553 1,554 2,555 5,558 1.767,559 1.85,560 3.791,561 -0.373,567 104.737,568 1.637,569 3.614,570 4.778,571 5.414,572 5.457,573 5.457,574 3.2,575 4.672,576 5.099,577 4.006,578 2383.49,579 8.95,580 39218.4,585 384,586 1.531,587 5.047,588 0.203,589 0.01,590 0.093,591 0.046,592 0.029,593 0.021,594 0.016,595 0.014,596 0.009,597 0.009,598 0.449,599 0.17,600 0.75,601 1.405,602 192.574,603 0.057,604 -0.11,605 0.129,606 -0.047,607 -0.102,608 0.018,609 0.249,610 0.057,611 0.067,612 0.057,613 0.243,614 -0.009,615 -0.08,617 -0.07,618 -0.026,619 -0.02,620 0.01,621 -0.197,622 -0.094,623 -0.218,624 -0.121,625 -0.153,626 -0.124,627 -0.15,628 0.03,629 0.008,630 0.081,631 -0.172,632 -0.016,633 0.14,634 -0.058,635 0.039,636 -0.091,637 0.101,638 -0.068,639 0.028,640 -0.072,641 0.032,642 -0.043,643 0.015,644 -0.023,645 -0.001,646 -0.08,647 0.024,648 -0.044,649 0.019,650 -0.001,651 4.514,652 5.996,653 0.514,654 42.926,655 1.004,656 1.117,657 3.683,658 13.566,659 0.687,660 3.638,661 3.932,662 4.143,663 4.304,664 4.477,665 4.511,666 4.575,667 4.615,668 4.635,669 4.691,670 8.569,671 0.645,672 513.1,673 3.638,674 5.165,675 5.989,676 6.847,677 7.693,678 8.559,679 9.414,680 10.284,681 11.145,682 12.018,683 3.1,686 1,693 1,699 12,700 1,704 5,706 18,723 1,724 64,726 22,727 2,728 37,730 66,731 27,733 17,734 4,735 8,736 2,739 3,740 3,741 1,745 1,751 4,753 20,754 7,756 4,760 1,761 3,763 1,765 2,772 29,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 1,837 1,840 35,844 1,845 1,846 6,851 1,861 1,862 6.3,864 1,865 3,869 18.917,870 11.493,871 7.889,872 3.966,874 2.869,875 1.388,876 0.952,877 9.763,878 10.261,879 3.932,880 4.505,881 4.985,882 5.451,883 5.941,884 6.101,885 6.374,886 6.546,887 6.772,888 7.033,889 0.9,890 53,891 13.193,893 5.735,894 7.948,895 24.585,897 19.944,899 2.448,900 85.694,904 329.591,905 170.019,906 18.304,907 39.149,908 112.141,910 5.807,911 164.212,912 480.881,913 18.304,914 8.825,915 14.35,916 110.046,917 153.379,918 37.407,920 306.049,921 39.149,922 329.591,923 182.516,924 112.141,925 44.956,927 270.735,928 170.997,931 42.788,932 113.466,933 71.218,935 329.591,936 130.445,937 209.168,939 5.807,940 329.591,941 33.053,942 132.677,944 168.075,945 329.591,946 130.445,947 209.168,949 0.573,950 0.325,951 0.164,952 0.086,953 20,954 10,955 0.182,956 12,958 1,959 4.529,960 307.962,962 18,963 169.525,967 1,968 26.781,969 12.76,970 7.581,972 130.445,973 21.579,974 4.211,978 3.705,980 42.683,981 669.204,982 50,986 -3.598,987 36.824,989 2.048,991 0.195,994 64.283,995 71.511,996 0.273,997 0.602,998 0.796,999 0.902,1000 0.909,1001 0.909,1002 5.15,1003 1.623,1004 5.984,1005 5.184,1006 4.615,1007 5.193,1008 2.291,1009 6.801,1010 4.539,1011 6.368,1012 1.403,1013 7.56,1014 3.855,1015 4.29,1016 5.139,1017 2.243,1018 8.021,1019 4.108,1020 7.696,1021 1.365,1022 9.262,1023 3.693,1024 6.248,1025 7.436,1026 3.63,1027 11.08,1028 6.08,1029 9.071,1030 1,1031 11.049,1032 2.946,1033 6.792,1034 8.245,1035 4.112,1036 13.227,1037 6.503,1038 10.488,1039 1,1040 12.897,1041 2.275,1042 8.253,1043 10.057,1044 5.201,1045 15.928,1046 7.958,1047 11.937,1048 1,1049 14.79,1050 2.275,1051 9.189,1052 11.256,1053 5.889,1054 18.383,1055 8.772,1056 13.412,1057 0.903,1058 16.716,1059 2.136,1060 10.482,1061 12.894,1062 6.849,1063 21.005,1064 10.028,1065 3.508,1066 0.714,1067 18.667,1068 2.089,1069 11.591,1070 14.278,1071 7.625,1072 23.558,1073 11.024,1074 3.016,1075 13.601,1076 20.637,1077 1.452,1078 12.834,1079 15.851,1080 8.526,1081 26.164,1082 12.205,1083 2.531,1084 10.18,1085 22.622,1086 4.758,1087 14.018,1088 17.323,1089 9.342,1090 28.75,1091 13.283,1092 2.436,1093 7.154,1094 24.618,1095 3.968,1096 15.252,1097 18.876,1098 10.216,1099 31.355,1100 14.438,1101 2.232,1102 6.721,1103 26.622,1104 3.471,1105 16.468,1106 20.39,1107 11.051,1108 33.954,1109 15.554,1110 2.136,1111 6.132,1112 28.632,1113 3.409,1114 17.704,1115 21.939,1116 11.912,1117 36.56,1118 16.701,1119 1.956,1120 5.692,1121 30.648,1122 2.923,1123 18.936,1124 23.474,1125 12.755,1126 39.165,1127 17.834,1128 18202,1129 32826,1130 24.038,1131 43.995,1132 54.431,1133 55.946,1134 56.113,1135 54.314,1136 54.016,1137 71.986,1138 5.482,1139 151.544,1140 51.933,1141 5.831,1142 6.725,1143 7.467,1144 5.48,1145 5.508,1146 7.758,1147 3.925,1148 21.54,1149 5.208,1150 20.181,1151 1.471,1152 1.512,1153 1.517,1154 1.468,1155 1.46,1156 1.946,1157 0.148,1158 4.096,1159 1.404,1160 4.099,1161 4.091,1162 4.742,1163 4.08,1164 7.715,1165 4.003,1166 3.993,1167 4.006,1168 3.955,1169 3.95,1170 7.474,1171 3.932,1172 3.82,1173 3.859,1174 3.925,1175 3.738,1176 6.999,1177 3.736,1178 3.703,1179 3.745,1180 3.747,1181 3.607,1182 6.351,1183 3.566,1184 3.686,1185 3.719,1186 3.58,1187 3.55,1188 4.937,1189 3.54,1190 3.425,1191 3.445,1192 3.378,1193 3.301,1194 4.913,1195 3.284,1196 3.365,1197 3.398,1198 3.27,1199 3.207,1200 4.718,1201 3.173,1202 3.245,1203 3.3,1204 3.135,1205 3.07,1206 4.271,1207 3.058,1208 0.133,1209 0.128,1210 0.207,1211 0.12,1212 0.095,1213 4.93,1214 0.129,1215 4.725,1216 0.063,1217 7.665,1218 0.368,1219 4.43,1220 0.087,1221 3.508,1222 4.758,1223 2.341,1224 13.601,1225 3.208,1226 1.996,1227 1.984,1228 2.094,1229 2.071,1230 1.314,1231 2.095,1232 1.955,1233 1.954,1234 1.972,1235 2.022,1236 1.263,1237 2.051,1238 1.814,1239 1.779,1240 1.946,1241 1.922,1242 1.16,1243 1.935,1244 1.681,1245 1.633,1246 1.889,1247 1.856,1248 1.043,1249 1.869,1250 1.627,1251 1.592,1252 1.835,1253 1.8,1254 0.969,1255 1.822,1256 1.38,1257 1.341,1258 1.643,1259 1.57,1260 0.827,1261 1.594,1262 1.29,1263 1.27,1264 1.502,1265 1.493,1266 0.662,1267 1.515,1268 1.212,1269 1.172,1270 1.201,1271 1.39,1272 0.5,1273 1.431,1274 4.317,1276 5.617,1278 7.112,1280 8.696,1282 10.327,1284 1.825,1285 5.899,1289 8.9,1290 2.64,1295 1.466,1300 41.292,1301 104.737,1302 231.317,1303 305.761,1304 346.49,1305 349.245,1306 349.245,1307 100.914,1308 7.392,1309 87.57,1310 95.95,1311 18,1312 12.561,1313 4.524,1314 3.807,1315 70.652,1316 184,1317 171,1318 0.187,1319 264.419,1320 467.72,1321 636.944,1322 16332,1323 1.6,1324 25.261,1325 0.722,1326 0.605,1327 26.011,1328 21.173,1329 16.807,1330 0.454,1331 0.36,1332 11.538,1333 15.278,1334 11.099,1335 9.221,1336 17.884,1337 13.302,1338 14.982,1339 0.3,1340 0.208,1341 16.709,1342 10.417,1343 11.858,1344 0.191,1345 0.127,1346 13.517,1347 7.875,1348 9.133,1349 0.125,1350 0.073,1351 10.412,1352 5.309,1353 6.938,1354 0.08,1355 0.042,1356 7.964,1357 3.622,1358 0.301,1359 115.111,1360 0.204,1361 32.739,1362 0.492,1363 174,1364 533.71,1365 241.945,1366 568.471,1367 747.04,1368 522,1369 199,1370 479.676,1371 267.256,1372 534.708,1373 771.3,1374 502,1375 8.398} {0 CHEMBL130564,1 1.619,2 9.818,3 2.136,4 4.563,5 80.391,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.978,13 3.253,14 4.22,15 4.38,16 3.565,17 3.565,18 5.455,19 3.528,20 4.454,21 4.678,22 3.557,23 3.609,24 5.532,25 3.552,26 4.368,27 4.582,28 3.534,29 3.495,30 5.493,31 3.464,32 4.326,33 4.512,34 3.56,35 3.478,36 5.508,37 3.477,38 4.329,39 4.512,40 3.472,41 3.53,42 5.545,43 3.479,44 4.326,45 4.563,46 3.242,47 3.535,48 5.324,49 3.405,50 4.257,51 4.524,52 3.024,53 3.434,54 5.093,55 3.269,56 0.105,57 0.55,58 7.48,59 3.476,60 12.378,61 4.338,62 0.25,63 0.824,64 13.445,65 5.267,66 41.637,67 6.975,68 0.39,69 0.949,70 19.573,71 6.375,72 52.532,73 8.734,74 0.384,75 0.858,76 17.908,77 5.522,78 46.823,79 7.555,80 0.418,81 0.826,82 16.84,83 4.899,84 46.434,85 6.369,86 0.52,87 0.852,88 16.486,89 5.192,90 54.588,91 6.895,92 0.328,93 0.848,94 16.835,95 6.071,96 37.295,97 8.677,98 0.188,99 0.772,100 16.117,101 6.043,102 26.002,103 8.85,104 12,105 28,106 0.29,107 0.632,108 0.776,109 0.851,110 0.873,111 0.873,112 3.145,113 0.914,114 -2.66,115 -2.68,116 -2.6,118 41,120 3,124 1,140 5,141 1,143 3,144 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 7,181 1,185 2,186 7,191 1,194 3,195 1,197 2,198 10,203 1,209 1,210 8,211 1,218 1,221 1,222 5,223 1,225 1,229 3,233 1,234 3,237 1,242 5,247 2,255 5,256 1,259 2,260 1,264 1,267 3,268 2,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.317,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.778,289 3.667,290 1.753,291 0.952,292 0.532,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 22.493,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.982,331 3.006,332 3.943,333 2.373,334 10.173,335 2.933,336 3.736,337 3.596,338 5.247,339 3.251,340 2.278,341 3.298,342 2.341,343 6.4,344 2.221,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.214,354 3.279,355 2.278,356 4.223,357 2.778,358 1.828,359 2.58,361 4.066,362 1.729,363 2.792,364 1.806,365 3.73,366 2.6,367 1.634,368 1.908,370 3.366,371 1.571,372 2.781,373 1.66,374 3.555,375 2.294,376 1.317,377 1.814,379 2.88,380 1.285,381 2.503,382 1.317,383 3.4,384 2.146,385 1.172,386 1.5,388 2.524,389 1.134,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.916,403 1,404 1.439,406 2.136,407 0.914,408 1.932,409 1,410 3,411 1.62,412 0.671,413 0.815,415 1.531,416 0.631,417 1.234,418 0.809,419 2.459,420 1.092,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.404,430 -0.555,431 -0.615,433 -1.223,434 -0.518,435 0.719,436 0.008,437 1.879,438 0.262,439 -0.705,440 -0.952,442 -1.547,443 -0.677,444 0.5,445 -0.614,446 1.555,447 0.019,448 -1,449 -1.213,451 -2,452 -0.926,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.95,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.6,473 0.664,474 24,475 0.615,476 19.715,477 0.896,478 5.96,479 0.271,480 4.81,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.699,492 0.985,493 0.759,494 1.295,495 0.938,496 1.171,497 0.516,498 1.102,499 1.047,500 0.939,501 0.957,502 0.902,503 1,504 0.91,505 1.158,506 1.019,507 0.934,508 0.916,509 0.951,510 0.882,511 1.573,512 1.024,513 1.081,514 0.846,515 1.127,516 0.853,517 1.173,518 1.018,519 1.25,520 0.975,521 0.983,522 1.089,523 0.578,524 0.961,525 1.096,526 1.069,527 0.421,528 1.168,529 0.391,530 0.992,531 0.985,532 1.139,533 0.43,534 1.173,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16281,547 2.022,548 43.6,549 2,550 7,552 3,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.532,570 4.334,571 4.753,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.027,608 -0.013,609 0.053,610 -0.206,611 -0.067,612 -0.144,613 0.162,614 -0.132,615 -0.088,616 0.047,617 0.022,618 0.059,619 -0.112,620 0.058,621 -0.065,622 -0.028,623 0.062,624 0.025,625 -0.078,626 0.06,627 -0.249,628 0.003,629 -0.081,630 0.077,631 -0.189,632 0.042,633 -0.043,634 0.038,635 -0.296,636 -0.027,637 -0.091,638 -0.176,639 0.045,640 0.037,641 -0.173,642 -0.071,643 0.054,644 -0.154,645 0.049,646 -0.05,647 -0.057,648 -0.121,649 0.022,650 -0.108,651 2.465,652 3.427,653 0.545,654 20.182,655 1.012,656 1.129,657 1.427,658 2.035,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,793 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.314,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.058,893 3.227,894 7.962,895 15.074,897 11.449,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 47.381,917 140.379,918 63.703,920 153.024,922 188.338,923 149.299,924 79.047,927 164.795,928 102.589,931 61.495,932 54.233,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 21.805,942 74.523,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.397,974 8.287,978 1.507,980 42.683,981 416.684,982 31,987 10.427,990 4.148,991 -0.194,994 39.473,995 44.03,996 0.306,997 0.668,998 0.82,999 0.899,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.985,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.361,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.456,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.05,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.627,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.933,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.763,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.935,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.893,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.007,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.027,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.116,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.165,1128 5050,1129 9234,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.507,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.454,1141 5.256,1142 5.999,1143 6.322,1144 5.05,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.933,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.368,1160 3.963,1161 3.997,1162 3.916,1163 3.88,1164 7.474,1165 3.882,1166 3.765,1167 3.814,1168 3.702,1169 3.621,1170 6.351,1171 3.637,1172 3.726,1173 3.775,1174 3.6,1175 3.566,1176 5.066,1177 3.562,1178 3.419,1179 3.445,1180 3.328,1181 3.15,1182 4.84,1183 3.182,1184 3.19,1185 3.234,1186 3.106,1187 3.027,1188 4.676,1189 3.037,1190 2.873,1191 2.925,1192 2.704,1193 2.735,1194 4.068,1195 2.715,1196 2.854,1197 2.92,1198 2.687,1199 2.623,1200 3.98,1201 2.609,1202 2.745,1203 2.82,1204 2.6,1205 2.541,1206 3.754,1207 2.576,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.982,1220 0.128,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.933,1226 1.925,1227 1.897,1228 2.03,1229 2.028,1230 1.276,1231 2.026,1232 1.718,1233 1.669,1234 1.949,1235 1.896,1236 1.099,1237 1.912,1238 1.699,1239 1.648,1240 1.82,1241 1.879,1242 0.777,1243 1.871,1244 1.305,1245 1.267,1246 1.554,1247 1.605,1248 0.757,1249 1.576,1250 1.134,1251 1.092,1252 1.288,1253 1.342,1254 0.357,1255 1.317,1256 0.886,1257 0.821,1258 1.181,1259 1.122,1260 0.218,1261 1.114,1262 0.767,1263 0.713,1264 1.089,1265 1.062,1266 0.21,1267 1.107,1268 0.751,1269 0.695,1270 1.041,1271 0.954,1272 0.11,1273 0.985,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.572,1290 1.71,1292 5.314,1300 24.896,1301 63.134,1302 137.766,1303 169.011,1304 185.376,1305 190.131,1306 190.131,1307 40.684,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.899,1333 10.274,1334 6.789,1335 5.664,1336 10.771,1337 7.007,1338 8.845,1339 0.316,1340 0.164,1341 8.845,1342 4.581,1343 6.58,1344 0.199,1345 0.087,1346 6.58,1347 2.885,1348 5.267,1349 0.132,1350 0.045,1351 5.267,1352 1.818,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.129,1358 0.411,1359 68.188,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.136,1366 348.155,1367 459.55,1368 324,1369 112,1370 325.449,1371 123.226,1372 324.103,1373 458.56,1374 304,1375 7.102} {0 CHEMBL130623,1 1.874,2 10.577,3 3.274,4 10.719,5 84.875,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.157,13 3.352,14 4.368,15 4.514,16 3.904,17 3.63,18 6.147,19 3.654,20 4.553,21 4.754,22 3.842,23 3.691,24 5.854,25 3.695,26 4.558,27 4.762,28 3.842,29 3.589,30 5.94,31 3.636,32 4.465,33 4.638,34 3.85,35 3.554,36 5.867,37 3.63,38 4.48,39 4.648,40 3.831,41 3.603,42 5.972,43 3.635,44 4.506,45 4.705,46 3.82,47 3.648,48 6.062,49 3.613,50 4.451,51 4.673,52 3.611,53 3.603,54 5.695,55 3.548,56 0.281,57 0.802,58 6.17,59 3.909,60 45.283,61 4.069,62 1.023,63 1.507,64 13.913,65 6.089,66 173.094,67 6.744,68 0.816,69 1.266,70 19.755,71 7.037,72 105.099,73 8.593,74 1.053,75 1.289,76 21.337,77 6.385,78 142.729,79 7.126,80 0.888,81 1.215,82 17.45,83 5.401,84 111.834,85 5.586,86 1.039,87 1.231,88 17.033,89 5.569,90 115.482,91 6.08,92 1.16,93 1.227,94 18.675,95 6.509,96 103.401,97 8.523,98 0.614,99 1.303,100 17.486,101 7.421,102 82.958,103 9.168,104 36,105 36,106 0.33,107 0.674,108 0.806,109 0.872,110 0.872,111 0.872,112 3.304,113 0.861,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 5,141 2,143 2,147 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 2,186 8,191 1,194 3,195 1,197 2,198 11,203 1,210 9,211 1,218 2,221 1,222 6,223 1,225 1,229 5,233 1,234 2,237 1,242 7,247 2,255 7,256 1,259 1,260 2,264 1,267 4,268 2,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.485,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.228,289 3.518,290 1.572,291 0.818,292 0.447,293 0.447,294 0.447,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.746,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.198,331 3.327,332 4.031,333 3.825,334 11.708,335 2.999,336 4.287,337 3.999,338 6.494,339 3.929,340 2.982,341 3.669,342 2.373,343 10.157,344 2.744,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.204,358 2.235,359 2.71,361 5.184,362 2.111,363 3.252,364 2.347,365 4.601,366 2.777,367 1.837,368 2.489,370 4.714,371 1.711,372 2.806,373 1.92,374 4.097,375 2.611,376 1.655,377 1.918,379 3.696,380 1.568,381 2.788,382 1.726,383 3.709,384 2.338,385 1.372,386 1.818,388 3.224,389 1.31,390 2.574,391 1.454,392 3.498,393 2.155,394 1.185,395 1.603,397 2.629,398 1.14,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.917,412 1,413 1.441,415 2.136,416 0.916,417 1.932,418 1,419 3.041,420 1.621,421 0.673,422 0.816,424 1.556,425 0.631,426 1.234,427 0.814,428 2.73,429 1.091,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.515,444 0.744,445 0.51,446 2.288,447 0.313,448 -0.658,449 -0.876,451 -1.549,452 -0.636,453 0.625,454 0.504,455 2,456 0.18,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.857,473 0.764,474 29.843,475 0.711,476 26.503,477 1.019,478 6.638,479 0.255,480 5.738,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.648,492 0.976,493 0.501,494 0.839,495 0.731,496 1.1,497 0.387,498 1.064,499 0.765,500 0.894,501 0.804,502 0.992,503 0.665,504 0.949,505 1.18,506 1.069,507 1.004,508 0.884,509 1.071,510 0.85,511 1.269,512 1.089,513 1.029,514 0.911,515 1.016,516 0.843,517 1.002,518 0.866,519 1.134,520 0.928,521 0.905,522 1.038,523 0.38,524 0.602,525 0.856,526 0.937,527 0.452,528 1.104,529 0.624,530 1.167,531 0.863,532 1.334,533 0.644,534 1.27,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31575,547 1.943,548 38.1,549 2,550 7,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.821,570 4.574,571 4.946,572 4.946,573 4.946,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.083,608 -0.01,609 0.344,610 0.202,611 0.089,612 -0.058,613 0.422,614 -0.107,615 -0.052,616 -0.139,617 0.104,618 -0.032,619 -0.011,620 0.065,621 -0.193,622 -0.116,623 -0.013,624 0.051,625 -0.159,626 0.101,627 -0.304,628 -0.167,629 -0.112,630 0.008,631 -0.191,632 0.049,633 -0.066,634 0.078,635 -0.248,636 0.001,637 -0.096,638 -0.152,639 0.421,640 0.309,641 0.06,642 0.035,643 0.241,644 -0.114,645 0.047,646 -0.276,647 0.059,648 -0.293,649 0.05,650 -0.174,651 5.74,652 4.94,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.439,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.042,893 4.627,894 8.542,895 17.097,897 13.177,899 3.042,900 79.083,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 47.381,917 128.608,918 102.293,920 153.024,921 7.76,922 176.567,923 150.768,924 123.927,927 155.352,928 147.47,931 57.45,932 57.419,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 24.562,942 65.476,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 113.457,968 19.711,969 9.188,970 6.33,972 176.898,973 9.084,974 8.009,978 -0.533,980 42.683,981 451.262,982 35,987 10.446,990 3.881,991 -0.842,994 43.894,995 48.464,996 0.348,997 0.709,998 0.848,999 0.917,1000 0.917,1001 0.917,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.17,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.686,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.636,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.967,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.417,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.137,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.37,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.28,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.42,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.42,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.522,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.564,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.652,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.716,1128 7498,1129 15762,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.762,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.043,1141 5.384,1142 6.46,1143 6.943,1144 5.267,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 4.999,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.372,1160 3.985,1161 4.016,1162 3.951,1163 3.899,1164 8.513,1165 3.904,1166 3.79,1167 3.838,1168 3.747,1169 3.635,1170 7.999,1171 3.655,1172 3.727,1173 3.775,1174 3.601,1175 3.567,1176 7.999,1177 3.563,1178 3.437,1179 3.465,1180 3.4,1181 3.182,1182 7.474,1183 3.218,1184 3.334,1185 3.371,1186 3.283,1187 3.085,1188 6.351,1189 3.113,1190 3.15,1191 3.197,1192 3.075,1193 2.933,1194 5.075,1195 2.96,1196 2.869,1197 2.917,1198 2.7,1199 2.56,1200 4.815,1201 2.585,1202 2.689,1203 2.776,1204 2.56,1205 2.503,1206 4.624,1207 2.518,1208 0.167,1209 0.165,1210 0.264,1211 0.155,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.198,1220 0.111,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 2.999,1226 1.934,1227 1.911,1228 2.018,1229 2.039,1230 1.276,1231 2.03,1232 1.728,1233 1.68,1234 1.948,1235 1.904,1236 1.127,1237 1.913,1238 1.702,1239 1.65,1240 1.836,1241 1.889,1242 0.787,1243 1.881,1244 1.313,1245 1.278,1246 1.555,1247 1.611,1248 0.768,1249 1.579,1250 1.189,1251 1.155,1252 1.289,1253 1.459,1254 0.388,1255 1.383,1256 1.04,1257 0.995,1258 1.203,1259 1.308,1260 0.256,1261 1.269,1262 0.758,1263 0.71,1264 1.086,1265 1.118,1266 0.209,1267 1.111,1268 0.656,1269 0.596,1270 0.921,1271 0.912,1273 0.918,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.82,1289 8.57,1290 0.991,1292 5.146,1296 -4.49,1300 27.573,1301 78.726,1302 160.461,1303 192.113,1304 207.722,1305 207.722,1306 207.722,1307 80.076,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.287,1332 7.562,1333 11.589,1334 7.503,1335 6.189,1336 11.165,1337 7.745,1338 11.437,1339 0.318,1340 0.147,1341 9.479,1342 5.275,1343 7.869,1344 0.192,1345 0.08,1346 6.907,1347 3.273,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.04,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.298,1358 0.42,1359 80.023,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.541,1366 536.671,1367 680.6,1368 494,1369 140,1370 461.801,1371 162.007,1372 440.777,1373 651.6,1374 412,1375 5} {0 CHEMBL130755,1 1.619,2 9.818,3 2.391,4 5.716,5 82.784,6 7.676,7 0.522,8 3.753,9 3.861,10 3.327,11 3.265,12 4.987,13 3.256,14 4.216,15 4.372,16 3.56,17 3.579,18 5.442,19 3.537,20 4.461,21 4.682,22 3.548,23 3.632,24 5.515,25 3.57,26 4.391,27 4.607,28 3.529,29 3.525,30 5.493,31 3.489,32 4.349,33 4.531,34 3.561,35 3.519,36 5.52,37 3.504,38 4.357,39 4.542,40 3.479,41 3.565,42 5.556,43 3.496,44 4.358,45 4.61,46 3.251,47 3.53,48 5.339,49 3.394,50 4.25,51 4.524,52 3.025,53 3.392,54 5.099,55 3.237,56 0.123,57 0.551,58 7.508,59 3.57,60 13.395,61 4.396,62 0.239,63 0.817,64 13.292,65 5.457,66 40.64,67 7.154,68 0.351,69 0.949,70 19.598,71 6.491,72 50.312,73 8.927,74 0.361,75 0.876,76 18.318,77 5.709,78 46.894,79 7.751,80 0.438,81 0.834,82 17.208,83 5.42,84 46.983,85 6.86,86 0.526,87 0.864,88 16.955,89 5.806,90 53.632,91 7.747,92 0.32,93 0.873,94 17.71,95 6.2,96 38.284,97 9.126,98 0.212,99 0.767,100 16.269,101 5.656,102 28.218,103 8.451,104 12,105 28,106 0.29,107 0.618,108 0.771,109 0.86,110 0.873,111 0.873,112 3.145,113 0.915,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 6,141 2,143 2,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 6,175 1,177 1,180 8,181 1,186 10,191 1,194 6,195 1,197 1,198 9,203 1,206 4,209 2,210 7,211 1,218 5,221 2,222 5,223 1,225 1,229 6,233 1,234 4,237 1,242 7,247 3,255 6,256 2,259 4,264 2,267 3,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.253,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.675,289 3.667,290 1.834,291 0.981,292 0.481,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 21.266,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.992,331 3.006,332 3.943,333 2.373,334 10.173,335 2.961,336 3.736,337 3.596,338 5.247,339 3.27,340 2.278,341 3.298,342 2.341,343 6.4,344 2.258,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.783,358 1.828,359 2.58,361 4.066,362 1.741,363 2.792,364 1.806,365 3.73,366 2.603,367 1.634,368 1.908,370 3.366,371 1.574,372 2.781,373 1.66,374 3.555,375 2.3,376 1.317,377 1.814,379 2.88,380 1.292,381 2.503,382 1.317,383 3.4,384 2.148,385 1.172,386 1.5,388 2.524,389 1.137,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.96,403 1,404 1.439,406 2.136,407 0.957,408 1.932,409 1,410 3,411 1.626,412 0.671,413 0.815,415 1.531,416 0.634,417 1.234,418 0.809,419 2.459,420 1.095,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.406,430 -0.555,431 -0.615,433 -1.223,434 -0.52,435 0.719,436 0.008,437 1.879,438 0.276,439 -0.705,440 -0.952,442 -1.547,443 -0.689,444 0.5,445 -0.614,446 1.555,447 0.024,448 -1,449 -1.213,451 -2,452 -0.933,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.973,462 10.2,463 0.464,464 0.315,465 0.014,466 28.25,467 1.284,468 15,469 0.682,470 13.25,471 0.602,472 14.779,473 0.672,474 24,475 0.615,476 19.536,477 0.888,478 5.913,479 0.269,480 4.858,481 0.221,482 0.065,484 0.196,487 0.664,488 1.095,489 0.763,490 1.075,491 0.679,492 0.973,493 0.713,494 1.265,495 0.927,496 1.187,497 0.492,498 1.117,499 1.062,500 1.03,501 0.967,502 0.937,503 0.996,504 0.932,505 1.21,506 0.975,507 0.971,508 0.91,509 0.964,510 0.887,511 1.521,512 0.918,513 1.097,514 0.872,515 1.09,516 0.897,517 0.956,518 1.079,519 1.175,520 1.07,521 0.873,522 1.156,523 0.479,524 1.031,525 1.008,526 1.072,527 0.374,528 1.135,529 0.46,530 0.964,531 0.972,532 1.052,533 0.457,534 1.094,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16505,547 2.022,548 43.6,549 2,550 8,552 2,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.452,570 4.304,571 4.805,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.098,604 0.081,605 0.033,606 0.013,607 -0.007,609 0.071,610 -0.187,611 -0.065,612 -0.14,613 0.174,614 -0.133,615 -0.135,616 -0.056,617 0.003,618 0.041,619 -0.127,620 0.049,621 -0.142,622 0.016,623 0.021,624 0.035,625 -0.109,626 0.06,627 -0.208,628 0.087,629 -0.103,630 0.079,631 -0.177,632 0.017,633 0.097,634 -0.063,635 -0.229,636 -0.087,637 -0.024,638 -0.207,639 0.098,640 -0.049,641 -0.071,642 -0.085,643 0.097,644 -0.112,645 0.024,646 -0.01,647 -0.025,648 -0.064,649 0.018,650 -0.049,651 2.462,652 3.429,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.321,874 2.058,875 1.335,876 0.907,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.051,893 3.221,894 7.962,895 15.074,897 11.474,899 2.462,900 54.167,904 188.338,905 97.186,906 52.726,908 79.047,911 97.186,912 267.385,913 52.726,915 12.196,916 56.857,917 128.363,918 55.085,920 164.795,922 188.338,923 149.912,924 79.047,927 164.795,928 102.589,931 49.691,932 66.895,933 33.326,935 188.338,936 131.773,937 97.186,940 188.338,941 22.234,942 74.952,944 131.773,945 188.338,946 131.773,947 97.186,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 131.773,973 14.685,974 7.614,978 1.729,980 42.683,981 417.297,982 31,987 10.429,990 4.182,991 -0.12,994 39.473,995 44.03,996 0.306,997 0.653,998 0.814,999 0.909,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 4.002,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.398,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.503,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.106,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.694,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 9.009,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.85,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 11.031,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.999,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.121,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.151,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.25,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.309,1128 5050,1129 9300,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.508,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.742,1141 5.256,1142 5.999,1143 6.322,1144 5.026,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.961,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.38,1160 3.968,1161 4,1162 3.919,1163 3.892,1164 7.474,1165 3.892,1166 3.766,1167 3.813,1168 3.702,1169 3.647,1170 6.351,1171 3.655,1172 3.727,1173 3.774,1174 3.6,1175 3.568,1176 5.089,1177 3.563,1178 3.415,1179 3.442,1180 3.324,1181 3.139,1182 4.886,1183 3.172,1184 3.165,1185 3.214,1186 3.091,1187 2.971,1188 4.676,1189 2.99,1190 2.865,1191 2.925,1192 2.697,1193 2.735,1194 4.052,1195 2.715,1196 2.854,1197 2.915,1198 2.687,1199 2.603,1200 3.836,1201 2.597,1202 2.77,1203 2.852,1204 2.626,1205 2.541,1206 3.777,1207 2.576,1208 0.19,1209 0.174,1210 0.283,1211 0.174,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.992,1220 0.129,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.961,1226 1.933,1227 1.907,1228 2.036,1229 2.03,1230 1.276,1231 2.03,1232 1.732,1233 1.69,1234 1.949,1235 1.896,1236 1.112,1237 1.912,1238 1.702,1239 1.651,1240 1.842,1241 1.878,1242 0.859,1243 1.872,1244 1.3,1245 1.262,1246 1.553,1247 1.603,1248 0.77,1249 1.574,1250 1.082,1251 1.034,1252 1.232,1253 1.325,1254 0.283,1255 1.286,1256 0.886,1257 0.821,1258 1.181,1259 1.113,1260 0.218,1261 1.107,1262 0.765,1263 0.708,1264 1.086,1265 1.062,1266 0.208,1267 1.106,1268 0.753,1269 0.688,1270 1.046,1271 0.988,1272 0.072,1273 1.011,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.574,1290 1.74,1292 5.333,1300 24.896,1301 63.134,1302 134.621,1303 167.866,1304 187.376,1305 190.131,1306 190.131,1307 40.769,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.909,1333 10.266,1334 6.797,1335 5.675,1336 10.771,1337 7.014,1338 8.845,1339 0.316,1340 0.165,1341 8.845,1342 4.621,1343 6.58,1344 0.199,1345 0.089,1346 6.58,1347 2.937,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.852,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.146,1358 0.411,1359 68.234,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 113.803,1366 348.695,1367 460.19,1368 324,1369 112,1370 328.629,1371 122.726,1372 326.414,1373 458.72,1374 306,1375 6.585} {0 CHEMBL130785,1 1.874,2 10.577,3 3.274,4 10.719,5 84.875,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.157,13 3.352,14 4.368,15 4.514,16 3.904,17 3.63,18 6.147,19 3.654,20 4.553,21 4.754,22 3.842,23 3.691,24 5.854,25 3.695,26 4.558,27 4.762,28 3.842,29 3.589,30 5.94,31 3.636,32 4.465,33 4.638,34 3.85,35 3.554,36 5.867,37 3.63,38 4.48,39 4.648,40 3.831,41 3.603,42 5.972,43 3.635,44 4.506,45 4.705,46 3.82,47 3.648,48 6.062,49 3.613,50 4.451,51 4.673,52 3.611,53 3.603,54 5.695,55 3.548,56 0.281,57 0.802,58 6.17,59 3.909,60 45.283,61 4.069,62 1.023,63 1.507,64 13.913,65 6.089,66 173.094,67 6.744,68 0.816,69 1.266,70 19.755,71 7.037,72 105.099,73 8.593,74 1.053,75 1.289,76 21.337,77 6.385,78 142.729,79 7.126,80 0.888,81 1.215,82 17.45,83 5.401,84 111.834,85 5.586,86 1.039,87 1.231,88 17.033,89 5.569,90 115.482,91 6.08,92 1.16,93 1.227,94 18.675,95 6.509,96 103.401,97 8.523,98 0.614,99 1.303,100 17.486,101 7.421,102 82.958,103 9.168,104 36,105 36,106 0.33,107 0.674,108 0.806,109 0.872,110 0.872,111 0.872,112 3.304,113 0.861,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 5,141 2,143 2,147 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 2,186 8,191 1,194 3,195 1,197 2,198 11,203 1,210 9,211 1,218 2,221 1,222 6,223 1,225 1,229 5,233 1,234 2,237 1,242 7,247 2,255 7,256 1,259 1,260 2,264 1,267 4,268 2,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.485,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.228,289 3.518,290 1.572,291 0.818,292 0.447,293 0.447,294 0.447,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.746,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.198,331 3.327,332 4.031,333 3.825,334 11.708,335 2.999,336 4.287,337 3.999,338 6.494,339 3.929,340 2.982,341 3.669,342 2.373,343 10.157,344 2.744,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.204,358 2.235,359 2.71,361 5.184,362 2.111,363 3.252,364 2.347,365 4.601,366 2.777,367 1.837,368 2.489,370 4.714,371 1.711,372 2.806,373 1.92,374 4.097,375 2.611,376 1.655,377 1.918,379 3.696,380 1.568,381 2.788,382 1.726,383 3.709,384 2.338,385 1.372,386 1.818,388 3.224,389 1.31,390 2.574,391 1.454,392 3.498,393 2.155,394 1.185,395 1.603,397 2.629,398 1.14,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.917,412 1,413 1.441,415 2.136,416 0.916,417 1.932,418 1,419 3.041,420 1.621,421 0.673,422 0.816,424 1.556,425 0.631,426 1.234,427 0.814,428 2.73,429 1.091,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.515,444 0.744,445 0.51,446 2.288,447 0.313,448 -0.658,449 -0.876,451 -1.549,452 -0.636,453 0.625,454 0.504,455 2,456 0.18,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.857,473 0.764,474 29.843,475 0.711,476 26.503,477 1.019,478 6.638,479 0.255,480 5.738,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.648,492 0.976,493 0.501,494 0.839,495 0.731,496 1.1,497 0.387,498 1.064,499 0.765,500 0.894,501 0.804,502 0.992,503 0.665,504 0.949,505 1.18,506 1.069,507 1.004,508 0.884,509 1.071,510 0.85,511 1.269,512 1.089,513 1.029,514 0.911,515 1.016,516 0.843,517 1.002,518 0.866,519 1.134,520 0.928,521 0.905,522 1.038,523 0.38,524 0.602,525 0.856,526 0.937,527 0.452,528 1.104,529 0.624,530 1.167,531 0.863,532 1.334,533 0.644,534 1.27,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31575,547 1.943,548 38.1,549 2,550 7,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.821,570 4.574,571 4.946,572 4.946,573 4.946,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.083,608 -0.01,609 0.344,610 0.202,611 0.089,612 -0.058,613 0.422,614 -0.107,615 -0.052,616 -0.139,617 0.104,618 -0.032,619 -0.011,620 0.065,621 -0.193,622 -0.116,623 -0.013,624 0.051,625 -0.159,626 0.101,627 -0.304,628 -0.167,629 -0.112,630 0.008,631 -0.191,632 0.049,633 -0.066,634 0.078,635 -0.248,636 0.001,637 -0.096,638 -0.152,639 0.421,640 0.309,641 0.06,642 0.035,643 0.241,644 -0.114,645 0.047,646 -0.276,647 0.059,648 -0.293,649 0.05,650 -0.174,651 5.74,652 4.94,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.439,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.042,893 4.627,894 8.542,895 17.097,897 13.177,899 3.042,900 79.083,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 47.381,917 128.608,918 102.293,920 153.024,921 7.76,922 176.567,923 150.768,924 123.927,927 155.352,928 147.47,931 57.45,932 57.419,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 24.562,942 65.476,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 113.457,968 19.711,969 9.188,970 6.33,972 176.898,973 9.084,974 8.009,978 -0.533,980 42.683,981 451.262,982 35,987 10.446,990 3.881,991 -0.842,994 43.894,995 48.464,996 0.348,997 0.709,998 0.848,999 0.917,1000 0.917,1001 0.917,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.17,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.686,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.636,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.967,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.417,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.137,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.37,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.28,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.42,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.42,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.522,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.564,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.652,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.716,1128 7498,1129 15762,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.762,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.043,1141 5.384,1142 6.46,1143 6.943,1144 5.267,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 4.999,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.372,1160 3.985,1161 4.016,1162 3.951,1163 3.899,1164 8.513,1165 3.904,1166 3.79,1167 3.838,1168 3.747,1169 3.635,1170 7.999,1171 3.655,1172 3.727,1173 3.775,1174 3.601,1175 3.567,1176 7.999,1177 3.563,1178 3.437,1179 3.465,1180 3.4,1181 3.182,1182 7.474,1183 3.218,1184 3.334,1185 3.371,1186 3.283,1187 3.085,1188 6.351,1189 3.113,1190 3.15,1191 3.197,1192 3.075,1193 2.933,1194 5.075,1195 2.96,1196 2.869,1197 2.917,1198 2.7,1199 2.56,1200 4.815,1201 2.585,1202 2.689,1203 2.776,1204 2.56,1205 2.503,1206 4.624,1207 2.518,1208 0.167,1209 0.165,1210 0.264,1211 0.155,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.198,1220 0.111,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 2.999,1226 1.934,1227 1.911,1228 2.018,1229 2.039,1230 1.276,1231 2.03,1232 1.728,1233 1.68,1234 1.948,1235 1.904,1236 1.127,1237 1.913,1238 1.702,1239 1.65,1240 1.836,1241 1.889,1242 0.787,1243 1.881,1244 1.313,1245 1.278,1246 1.555,1247 1.611,1248 0.768,1249 1.579,1250 1.189,1251 1.155,1252 1.289,1253 1.459,1254 0.388,1255 1.383,1256 1.04,1257 0.995,1258 1.203,1259 1.308,1260 0.256,1261 1.269,1262 0.758,1263 0.71,1264 1.086,1265 1.118,1266 0.209,1267 1.111,1268 0.656,1269 0.596,1270 0.921,1271 0.912,1273 0.918,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.82,1289 8.57,1290 0.991,1292 5.146,1296 -4.49,1300 27.573,1301 78.726,1302 160.461,1303 192.113,1304 207.722,1305 207.722,1306 207.722,1307 80.076,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.287,1332 7.562,1333 11.589,1334 7.503,1335 6.189,1336 11.165,1337 7.745,1338 11.437,1339 0.318,1340 0.147,1341 9.479,1342 5.275,1343 7.869,1344 0.192,1345 0.08,1346 6.907,1347 3.273,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.04,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.298,1358 0.42,1359 80.023,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.541,1366 536.671,1367 680.6,1368 494,1369 140,1370 461.801,1371 162.007,1372 440.777,1373 651.6,1374 412,1375 5} {0 CHEMBL130790,1 1.619,2 9.818,3 2.136,4 4.563,5 80.391,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.978,13 3.253,14 4.22,15 4.38,16 3.565,17 3.565,18 5.455,19 3.528,20 4.454,21 4.678,22 3.557,23 3.609,24 5.532,25 3.552,26 4.368,27 4.582,28 3.534,29 3.495,30 5.493,31 3.464,32 4.326,33 4.512,34 3.56,35 3.478,36 5.508,37 3.477,38 4.329,39 4.512,40 3.472,41 3.53,42 5.545,43 3.479,44 4.326,45 4.563,46 3.242,47 3.535,48 5.324,49 3.405,50 4.257,51 4.524,52 3.024,53 3.434,54 5.093,55 3.269,56 0.105,57 0.55,58 7.48,59 3.476,60 12.378,61 4.338,62 0.25,63 0.824,64 13.445,65 5.267,66 41.637,67 6.975,68 0.39,69 0.949,70 19.573,71 6.375,72 52.532,73 8.734,74 0.384,75 0.858,76 17.908,77 5.522,78 46.823,79 7.555,80 0.418,81 0.826,82 16.84,83 4.899,84 46.434,85 6.369,86 0.52,87 0.852,88 16.486,89 5.192,90 54.588,91 6.895,92 0.328,93 0.848,94 16.835,95 6.071,96 37.295,97 8.677,98 0.188,99 0.772,100 16.117,101 6.043,102 26.002,103 8.85,104 12,105 28,106 0.29,107 0.632,108 0.776,109 0.851,110 0.873,111 0.873,112 3.145,113 0.914,114 -2.66,115 -2.68,116 -2.6,118 41,120 3,124 1,140 5,141 1,143 3,144 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 7,181 1,185 2,186 7,191 1,194 3,195 1,197 2,198 10,203 1,209 1,210 8,211 1,218 1,221 1,222 5,223 1,225 1,229 3,233 1,234 3,237 1,242 5,247 2,255 5,256 1,259 2,260 1,264 1,267 3,268 2,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.317,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.778,289 3.667,290 1.753,291 0.952,292 0.532,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 22.493,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.982,331 3.006,332 3.943,333 2.373,334 10.173,335 2.933,336 3.736,337 3.596,338 5.247,339 3.251,340 2.278,341 3.298,342 2.341,343 6.4,344 2.221,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.214,354 3.279,355 2.278,356 4.223,357 2.778,358 1.828,359 2.58,361 4.066,362 1.729,363 2.792,364 1.806,365 3.73,366 2.6,367 1.634,368 1.908,370 3.366,371 1.571,372 2.781,373 1.66,374 3.555,375 2.294,376 1.317,377 1.814,379 2.88,380 1.285,381 2.503,382 1.317,383 3.4,384 2.146,385 1.172,386 1.5,388 2.524,389 1.134,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.916,403 1,404 1.439,406 2.136,407 0.914,408 1.932,409 1,410 3,411 1.62,412 0.671,413 0.815,415 1.531,416 0.631,417 1.234,418 0.809,419 2.459,420 1.092,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.404,430 -0.555,431 -0.615,433 -1.223,434 -0.518,435 0.719,436 0.008,437 1.879,438 0.262,439 -0.705,440 -0.952,442 -1.547,443 -0.677,444 0.5,445 -0.614,446 1.555,447 0.019,448 -1,449 -1.213,451 -2,452 -0.926,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.95,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.6,473 0.664,474 24,475 0.615,476 19.715,477 0.896,478 5.96,479 0.271,480 4.81,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.699,492 0.985,493 0.759,494 1.295,495 0.938,496 1.171,497 0.516,498 1.102,499 1.047,500 0.939,501 0.957,502 0.902,503 1,504 0.91,505 1.158,506 1.019,507 0.934,508 0.916,509 0.951,510 0.882,511 1.573,512 1.024,513 1.081,514 0.846,515 1.127,516 0.853,517 1.173,518 1.018,519 1.25,520 0.975,521 0.983,522 1.089,523 0.578,524 0.961,525 1.096,526 1.069,527 0.421,528 1.168,529 0.391,530 0.992,531 0.985,532 1.139,533 0.43,534 1.173,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16281,547 2.022,548 43.6,549 2,550 7,552 3,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.532,570 4.334,571 4.753,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.027,608 -0.013,609 0.053,610 -0.206,611 -0.067,612 -0.144,613 0.162,614 -0.132,615 -0.088,616 0.047,617 0.022,618 0.059,619 -0.112,620 0.058,621 -0.065,622 -0.028,623 0.062,624 0.025,625 -0.078,626 0.06,627 -0.249,628 0.003,629 -0.081,630 0.077,631 -0.189,632 0.042,633 -0.043,634 0.038,635 -0.296,636 -0.027,637 -0.091,638 -0.176,639 0.045,640 0.037,641 -0.173,642 -0.071,643 0.054,644 -0.154,645 0.049,646 -0.05,647 -0.057,648 -0.121,649 0.022,650 -0.108,651 2.465,652 3.427,653 0.545,654 20.182,655 1.012,656 1.129,657 1.427,658 2.035,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,793 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.314,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.058,893 3.227,894 7.962,895 15.074,897 11.449,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 47.381,917 140.379,918 63.703,920 153.024,922 188.338,923 149.299,924 79.047,927 164.795,928 102.589,931 61.495,932 54.233,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 21.805,942 74.523,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.397,974 8.287,978 1.507,980 42.683,981 416.684,982 31,987 10.427,990 4.148,991 -0.194,994 39.473,995 44.03,996 0.306,997 0.668,998 0.82,999 0.899,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.985,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.361,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.456,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.05,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.627,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.933,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.763,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.935,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.893,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.007,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.027,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.116,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.165,1128 5050,1129 9234,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.507,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.454,1141 5.256,1142 5.999,1143 6.322,1144 5.05,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.933,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.368,1160 3.963,1161 3.997,1162 3.916,1163 3.88,1164 7.474,1165 3.882,1166 3.765,1167 3.814,1168 3.702,1169 3.621,1170 6.351,1171 3.637,1172 3.726,1173 3.775,1174 3.6,1175 3.566,1176 5.066,1177 3.562,1178 3.419,1179 3.445,1180 3.328,1181 3.15,1182 4.84,1183 3.182,1184 3.19,1185 3.234,1186 3.106,1187 3.027,1188 4.676,1189 3.037,1190 2.873,1191 2.925,1192 2.704,1193 2.735,1194 4.068,1195 2.715,1196 2.854,1197 2.92,1198 2.687,1199 2.623,1200 3.98,1201 2.609,1202 2.745,1203 2.82,1204 2.6,1205 2.541,1206 3.754,1207 2.576,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.982,1220 0.128,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.933,1226 1.925,1227 1.897,1228 2.03,1229 2.028,1230 1.276,1231 2.026,1232 1.718,1233 1.669,1234 1.949,1235 1.896,1236 1.099,1237 1.912,1238 1.699,1239 1.648,1240 1.82,1241 1.879,1242 0.777,1243 1.871,1244 1.305,1245 1.267,1246 1.554,1247 1.605,1248 0.757,1249 1.576,1250 1.134,1251 1.092,1252 1.288,1253 1.342,1254 0.357,1255 1.317,1256 0.886,1257 0.821,1258 1.181,1259 1.122,1260 0.218,1261 1.114,1262 0.767,1263 0.713,1264 1.089,1265 1.062,1266 0.21,1267 1.107,1268 0.751,1269 0.695,1270 1.041,1271 0.954,1272 0.11,1273 0.985,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.572,1290 1.71,1292 5.314,1300 24.896,1301 63.134,1302 137.766,1303 169.011,1304 185.376,1305 190.131,1306 190.131,1307 40.684,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.899,1333 10.274,1334 6.789,1335 5.664,1336 10.771,1337 7.007,1338 8.845,1339 0.316,1340 0.164,1341 8.845,1342 4.581,1343 6.58,1344 0.199,1345 0.087,1346 6.58,1347 2.885,1348 5.267,1349 0.132,1350 0.045,1351 5.267,1352 1.818,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.129,1358 0.411,1359 68.188,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.136,1366 348.155,1367 459.55,1368 324,1369 112,1370 325.449,1371 123.226,1372 324.103,1373 458.56,1374 304,1375 6.208} {0 CHEMBL130823,1 1.619,2 9.818,3 2.391,4 5.716,5 82.784,6 7.676,7 0.522,8 3.753,9 3.861,10 3.327,11 3.265,12 4.987,13 3.256,14 4.216,15 4.372,16 3.56,17 3.579,18 5.442,19 3.537,20 4.461,21 4.682,22 3.548,23 3.632,24 5.515,25 3.57,26 4.391,27 4.607,28 3.529,29 3.525,30 5.493,31 3.489,32 4.349,33 4.531,34 3.561,35 3.519,36 5.52,37 3.504,38 4.357,39 4.542,40 3.479,41 3.565,42 5.556,43 3.496,44 4.358,45 4.61,46 3.251,47 3.53,48 5.339,49 3.394,50 4.25,51 4.524,52 3.025,53 3.392,54 5.099,55 3.237,56 0.123,57 0.551,58 7.508,59 3.57,60 13.395,61 4.396,62 0.239,63 0.817,64 13.292,65 5.457,66 40.64,67 7.154,68 0.351,69 0.949,70 19.598,71 6.491,72 50.312,73 8.927,74 0.361,75 0.876,76 18.318,77 5.709,78 46.894,79 7.751,80 0.438,81 0.834,82 17.208,83 5.42,84 46.983,85 6.86,86 0.526,87 0.864,88 16.955,89 5.806,90 53.632,91 7.747,92 0.32,93 0.873,94 17.71,95 6.2,96 38.284,97 9.126,98 0.212,99 0.767,100 16.269,101 5.656,102 28.218,103 8.451,104 12,105 28,106 0.29,107 0.618,108 0.771,109 0.86,110 0.873,111 0.873,112 3.145,113 0.915,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 6,141 2,143 2,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 6,175 1,177 1,180 8,181 1,186 10,191 1,194 6,195 1,197 1,198 9,203 1,206 4,209 2,210 7,211 1,218 5,221 2,222 5,223 1,225 1,229 6,233 1,234 4,237 1,242 7,247 3,255 6,256 2,259 4,264 2,267 3,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.253,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.675,289 3.667,290 1.834,291 0.981,292 0.481,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 21.266,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.992,331 3.006,332 3.943,333 2.373,334 10.173,335 2.961,336 3.736,337 3.596,338 5.247,339 3.27,340 2.278,341 3.298,342 2.341,343 6.4,344 2.258,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.783,358 1.828,359 2.58,361 4.066,362 1.741,363 2.792,364 1.806,365 3.73,366 2.603,367 1.634,368 1.908,370 3.366,371 1.574,372 2.781,373 1.66,374 3.555,375 2.3,376 1.317,377 1.814,379 2.88,380 1.292,381 2.503,382 1.317,383 3.4,384 2.148,385 1.172,386 1.5,388 2.524,389 1.137,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.96,403 1,404 1.439,406 2.136,407 0.957,408 1.932,409 1,410 3,411 1.626,412 0.671,413 0.815,415 1.531,416 0.634,417 1.234,418 0.809,419 2.459,420 1.095,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.406,430 -0.555,431 -0.615,433 -1.223,434 -0.52,435 0.719,436 0.008,437 1.879,438 0.276,439 -0.705,440 -0.952,442 -1.547,443 -0.689,444 0.5,445 -0.614,446 1.555,447 0.024,448 -1,449 -1.213,451 -2,452 -0.933,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.973,462 10.2,463 0.464,464 0.315,465 0.014,466 28.25,467 1.284,468 15,469 0.682,470 13.25,471 0.602,472 14.779,473 0.672,474 24,475 0.615,476 19.536,477 0.888,478 5.913,479 0.269,480 4.858,481 0.221,482 0.065,484 0.196,487 0.664,488 1.095,489 0.763,490 1.075,491 0.679,492 0.973,493 0.713,494 1.265,495 0.927,496 1.187,497 0.492,498 1.117,499 1.062,500 1.03,501 0.967,502 0.937,503 0.996,504 0.932,505 1.21,506 0.975,507 0.971,508 0.91,509 0.964,510 0.887,511 1.521,512 0.918,513 1.097,514 0.872,515 1.09,516 0.897,517 0.956,518 1.079,519 1.175,520 1.07,521 0.873,522 1.156,523 0.479,524 1.031,525 1.008,526 1.072,527 0.374,528 1.135,529 0.46,530 0.964,531 0.972,532 1.052,533 0.457,534 1.094,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16505,547 2.022,548 43.6,549 2,550 8,552 2,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.452,570 4.304,571 4.805,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.098,604 0.081,605 0.033,606 0.013,607 -0.007,609 0.071,610 -0.187,611 -0.065,612 -0.14,613 0.174,614 -0.133,615 -0.135,616 -0.056,617 0.003,618 0.041,619 -0.127,620 0.049,621 -0.142,622 0.016,623 0.021,624 0.035,625 -0.109,626 0.06,627 -0.208,628 0.087,629 -0.103,630 0.079,631 -0.177,632 0.017,633 0.097,634 -0.063,635 -0.229,636 -0.087,637 -0.024,638 -0.207,639 0.098,640 -0.049,641 -0.071,642 -0.085,643 0.097,644 -0.112,645 0.024,646 -0.01,647 -0.025,648 -0.064,649 0.018,650 -0.049,651 2.462,652 3.429,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.321,874 2.058,875 1.335,876 0.907,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.051,893 3.221,894 7.962,895 15.074,897 11.474,899 2.462,900 54.167,904 188.338,905 97.186,906 52.726,908 79.047,911 97.186,912 267.385,913 52.726,915 12.196,916 56.857,917 128.363,918 55.085,920 164.795,922 188.338,923 149.912,924 79.047,927 164.795,928 102.589,931 49.691,932 66.895,933 33.326,935 188.338,936 131.773,937 97.186,940 188.338,941 22.234,942 74.952,944 131.773,945 188.338,946 131.773,947 97.186,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 131.773,973 14.685,974 7.614,978 1.729,980 42.683,981 417.297,982 31,987 10.429,990 4.182,991 -0.12,994 39.473,995 44.03,996 0.306,997 0.653,998 0.814,999 0.909,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 4.002,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.398,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.503,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.106,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.694,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 9.009,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.85,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 11.031,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.999,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.121,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.151,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.25,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.309,1128 5050,1129 9300,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.508,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.742,1141 5.256,1142 5.999,1143 6.322,1144 5.026,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.961,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.38,1160 3.968,1161 4,1162 3.919,1163 3.892,1164 7.474,1165 3.892,1166 3.766,1167 3.813,1168 3.702,1169 3.647,1170 6.351,1171 3.655,1172 3.727,1173 3.774,1174 3.6,1175 3.568,1176 5.089,1177 3.563,1178 3.415,1179 3.442,1180 3.324,1181 3.139,1182 4.886,1183 3.172,1184 3.165,1185 3.214,1186 3.091,1187 2.971,1188 4.676,1189 2.99,1190 2.865,1191 2.925,1192 2.697,1193 2.735,1194 4.052,1195 2.715,1196 2.854,1197 2.915,1198 2.687,1199 2.603,1200 3.836,1201 2.597,1202 2.77,1203 2.852,1204 2.626,1205 2.541,1206 3.777,1207 2.576,1208 0.19,1209 0.174,1210 0.283,1211 0.174,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.992,1220 0.129,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.961,1226 1.933,1227 1.907,1228 2.036,1229 2.03,1230 1.276,1231 2.03,1232 1.732,1233 1.69,1234 1.949,1235 1.896,1236 1.112,1237 1.912,1238 1.702,1239 1.651,1240 1.842,1241 1.878,1242 0.859,1243 1.872,1244 1.3,1245 1.262,1246 1.553,1247 1.603,1248 0.77,1249 1.574,1250 1.082,1251 1.034,1252 1.232,1253 1.325,1254 0.283,1255 1.286,1256 0.886,1257 0.821,1258 1.181,1259 1.113,1260 0.218,1261 1.107,1262 0.765,1263 0.708,1264 1.086,1265 1.062,1266 0.208,1267 1.106,1268 0.753,1269 0.688,1270 1.046,1271 0.988,1272 0.072,1273 1.011,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.574,1290 1.74,1292 5.333,1300 24.896,1301 63.134,1302 134.621,1303 167.866,1304 187.376,1305 190.131,1306 190.131,1307 40.769,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.909,1333 10.266,1334 6.797,1335 5.675,1336 10.771,1337 7.014,1338 8.845,1339 0.316,1340 0.165,1341 8.845,1342 4.621,1343 6.58,1344 0.199,1345 0.089,1346 6.58,1347 2.937,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.852,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.146,1358 0.411,1359 68.234,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 113.803,1366 348.695,1367 460.19,1368 324,1369 112,1370 328.629,1371 122.726,1372 326.414,1373 458.72,1374 306,1375 5.056} {0 CHEMBL131078,1 1.619,2 9.818,3 2.332,4 5.437,5 78.901,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.976,13 3.253,14 4.221,15 4.381,16 3.57,17 3.562,18 5.465,19 3.525,20 4.454,21 4.68,22 3.559,23 3.597,24 5.532,25 3.541,26 4.36,27 4.576,28 3.538,29 3.469,30 5.5,31 3.446,32 4.302,33 4.49,34 3.556,35 3.448,36 5.492,37 3.461,38 4.311,39 4.487,40 3.468,41 3.518,42 5.545,43 3.476,44 4.311,45 4.538,46 3.237,47 3.553,48 5.31,49 3.419,50 4.281,51 4.549,52 3.027,53 3.455,54 5.105,55 3.284,56 0.105,57 0.55,58 7.48,59 3.476,60 12.36,61 4.338,62 0.261,63 0.827,64 13.44,65 5.342,66 42.002,67 7.037,68 0.386,69 0.947,70 19.648,71 6.339,72 52.419,73 8.742,74 0.417,75 0.852,76 17.888,77 5.185,78 48.196,79 7.251,80 0.378,81 0.823,82 16.37,83 4.467,84 45.482,85 5.858,86 0.549,87 0.836,88 16.179,89 4.932,90 55.816,91 6.413,92 0.308,93 0.839,94 16.267,95 6.2,96 35.079,97 8.709,98 0.184,99 0.785,100 16.532,101 6.301,102 26.002,103 9.217,104 12,105 28,106 0.29,107 0.627,108 0.762,109 0.833,110 0.845,111 0.845,112 3.145,113 0.915,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 6,141 1,143 2,147 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 2,186 8,191 1,194 3,195 1,197 2,198 11,203 1,210 9,211 1,218 2,221 1,222 6,223 1,225 1,229 5,233 1,234 2,237 1,242 7,247 2,255 7,256 1,259 1,260 2,264 1,267 4,268 2,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.314,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.784,289 3.667,290 1.782,291 1.032,292 0.635,293 0.564,294 0.564,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 22.622,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.974,331 3.006,332 3.943,333 2.373,334 10.173,335 2.913,336 3.736,337 3.596,338 5.247,339 3.241,340 2.278,341 3.298,342 2.341,343 6.4,344 2.221,345 3.55,346 2.937,347 4.659,348 3.239,349 2.235,350 2.71,352 5.184,353 2.189,354 3.279,355 2.278,356 4.223,357 2.782,358 1.828,359 2.58,361 4.066,362 1.739,363 2.792,364 1.806,365 3.73,366 2.606,367 1.634,368 1.908,370 3.366,371 1.579,372 2.781,373 1.66,374 3.555,375 2.304,376 1.317,377 1.814,379 2.88,380 1.298,381 2.503,382 1.317,383 3.4,384 2.147,385 1.172,386 1.5,388 2.524,389 1.135,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.917,403 1,404 1.439,406 2.136,407 0.916,408 1.932,409 1,410 3,411 1.619,412 0.671,413 0.815,415 1.531,416 0.63,417 1.234,418 0.809,419 2.459,420 1.091,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.405,430 -0.555,431 -0.615,433 -1.223,434 -0.519,435 0.719,436 0.008,437 1.879,438 0.266,439 -0.705,440 -0.952,442 -1.547,443 -0.681,444 0.5,445 -0.614,446 1.555,447 0.018,448 -1,449 -1.213,451 -2,452 -0.93,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.946,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.583,473 0.663,474 24,475 0.615,476 19.732,477 0.897,478 5.959,479 0.271,480 4.812,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.704,492 0.985,493 0.713,494 1.265,495 0.927,496 1.187,497 0.5,498 1.117,499 1.036,500 0.977,501 0.93,502 0.907,503 0.989,504 0.9,505 1.181,506 1.062,507 0.932,508 0.874,509 0.969,510 0.849,511 1.674,512 1.062,513 1.1,514 0.823,515 1.188,516 0.819,517 1.334,518 0.93,519 1.325,520 0.906,521 1.059,522 1.061,523 0.548,524 0.972,525 1.124,526 1.128,527 0.414,528 1.228,529 0.357,530 1.009,531 0.972,532 1.164,533 0.41,534 1.189,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16161,547 2.022,548 43.6,549 2,550 8,552 2,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.503,570 4.253,571 4.651,572 4.721,573 4.721,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.032,608 -0.013,609 0.1,610 -0.175,611 -0.055,612 -0.161,613 0.178,614 -0.148,615 -0.074,616 0.003,617 0.054,618 0.05,619 -0.098,620 0.068,621 -0.051,622 -0.06,623 0.074,624 0.046,625 -0.077,626 0.078,627 -0.344,628 -0.003,629 -0.099,630 0.075,631 -0.226,632 0.055,633 -0.111,634 0.144,635 -0.366,636 0.029,637 -0.137,638 -0.169,639 0.05,640 0.029,641 -0.218,642 -0.108,643 0.048,644 -0.205,645 0.068,646 -0.078,647 -0.045,648 -0.137,649 0.033,650 -0.115,651 2.467,652 3.425,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.325,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.06,893 3.229,894 7.962,895 15.074,897 11.44,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 56.857,917 128.608,918 54.227,920 164.795,922 188.338,923 149.299,924 79.047,927 167.123,928 102.589,931 49.691,932 63.71,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 21.376,942 74.952,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 90.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.563,974 8.388,978 1.346,980 42.683,981 416.684,982 31,987 10.425,990 4.125,991 -0.245,994 39.473,995 44.03,996 0.306,997 0.663,998 0.805,999 0.88,1000 0.893,1001 0.893,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.981,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.136,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.347,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.417,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.02,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.575,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.885,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.698,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.87,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.814,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 12.925,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 13.934,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.019,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.059,1128 5050,1129 9204,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.514,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.429,1141 5.256,1142 5.999,1143 6.322,1144 5.043,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.913,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.414,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.366,1160 3.96,1161 3.995,1162 3.913,1163 3.875,1164 7.474,1165 3.876,1166 3.768,1167 3.816,1168 3.703,1169 3.627,1170 6.351,1171 3.642,1172 3.727,1173 3.775,1174 3.6,1175 3.567,1176 5.077,1177 3.563,1178 3.421,1179 3.447,1180 3.331,1181 3.16,1182 4.822,1183 3.191,1184 3.2,1185 3.241,1186 3.113,1187 3.043,1188 4.676,1189 3.052,1190 2.87,1191 2.925,1192 2.701,1193 2.735,1194 4.026,1195 2.715,1196 2.854,1197 2.917,1198 2.687,1199 2.546,1200 3.962,1201 2.576,1202 2.679,1203 2.776,1204 2.56,1205 2.491,1206 3.776,1207 2.495,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.974,1220 0.127,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.913,1226 1.921,1227 1.893,1228 2.027,1229 2.027,1230 1.276,1231 2.023,1232 1.723,1233 1.674,1234 1.949,1235 1.896,1236 1.094,1237 1.912,1238 1.702,1239 1.65,1240 1.837,1241 1.881,1242 0.784,1243 1.876,1244 1.309,1245 1.272,1246 1.555,1247 1.606,1248 0.768,1249 1.578,1250 1.148,1251 1.109,1252 1.286,1253 1.348,1254 0.37,1255 1.325,1256 0.886,1257 0.821,1258 1.181,1259 1.12,1260 0.218,1261 1.111,1262 0.755,1263 0.707,1264 1.085,1265 1.062,1266 0.209,1267 1.107,1268 0.634,1269 0.572,1270 0.921,1271 0.912,1273 0.918,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.571,1290 1.692,1292 5.301,1300 24.896,1301 63.134,1302 136.621,1303 165.866,1304 181.376,1305 184.131,1306 184.131,1307 40.422,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.91,1333 10.28,1334 6.803,1335 5.677,1336 10.771,1337 7.017,1338 8.845,1339 0.316,1340 0.163,1341 8.845,1342 4.562,1343 6.58,1344 0.199,1345 0.087,1346 6.58,1347 2.857,1348 5.267,1349 0.132,1350 0.045,1351 5.267,1352 1.793,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.119,1358 0.411,1359 68.142,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.524,1366 348.096,1367 460.55,1368 324,1369 112,1370 327.801,1371 123.531,1372 325.822,1373 462.72,1374 306,1375 5} {0 CHEMBL131088,1 1.619,2 9.818,3 2.819,4 7.948,5 82.412,6 7.676,7 0.522,8 3.753,9 3.861,10 3.327,11 3.265,12 4.985,13 3.256,14 4.216,15 4.372,16 3.564,17 3.573,18 5.446,19 3.532,20 4.464,21 4.691,22 3.556,23 3.61,24 5.532,25 3.552,26 4.372,27 4.589,28 3.535,29 3.486,30 5.501,31 3.46,32 4.314,33 4.495,34 3.559,35 3.473,36 5.504,37 3.475,38 4.329,39 4.512,40 3.472,41 3.53,42 5.545,43 3.479,44 4.326,45 4.563,46 3.242,47 3.535,48 5.324,49 3.405,50 4.257,51 4.524,52 3.024,53 3.434,54 5.093,55 3.269,56 0.123,57 0.551,58 7.508,59 3.57,60 13.378,61 4.396,62 0.231,63 0.819,64 13.26,65 5.437,66 39.988,67 7.157,68 0.376,69 0.954,70 19.853,71 6.359,72 52.213,73 8.816,74 0.403,75 0.863,76 18.093,77 5.352,78 48.473,79 7.373,80 0.413,81 0.82,82 16.532,83 4.822,84 45.754,85 6.228,86 0.52,87 0.852,88 16.486,89 5.192,90 54.588,91 6.895,92 0.328,93 0.848,94 16.835,95 6.071,96 37.295,97 8.677,98 0.188,99 0.772,100 16.117,101 6.043,102 26.002,103 8.85,104 12,105 28,106 0.29,107 0.617,108 0.77,109 0.86,110 0.873,111 0.873,112 3.145,113 0.916,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 7,141 1,143 1,144 1,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 5,175 1,177 1,180 7,181 1,185 1,186 10,191 1,194 4,195 1,197 2,198 12,203 1,206 3,209 1,210 9,211 1,218 5,221 1,222 5,223 1,225 1,229 7,233 1,234 3,237 1,242 8,247 2,255 7,256 1,259 2,260 1,264 1,267 4,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.26,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.687,289 3.667,290 1.837,291 0.985,292 0.481,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 21.743,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.985,331 3.006,332 3.943,333 2.373,334 10.173,335 2.94,336 3.736,337 3.596,338 5.247,339 3.262,340 2.278,341 3.298,342 2.341,343 6.4,344 2.239,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.786,358 1.828,359 2.58,361 4.066,362 1.747,363 2.792,364 1.806,365 3.73,366 2.605,367 1.634,368 1.908,370 3.366,371 1.578,372 2.781,373 1.66,374 3.555,375 2.297,376 1.317,377 1.814,379 2.88,380 1.289,381 2.503,382 1.317,383 3.4,384 2.146,385 1.172,386 1.5,388 2.524,389 1.133,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.983,403 1,404 1.439,406 2.136,407 0.982,408 1.932,409 1,410 3,411 1.622,412 0.671,413 0.815,415 1.531,416 0.631,417 1.234,418 0.809,419 2.459,420 1.094,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.408,430 -0.555,431 -0.615,433 -1.223,434 -0.522,435 0.719,436 0.008,437 1.879,438 0.29,439 -0.705,440 -0.952,442 -1.547,443 -0.7,444 0.5,445 -0.614,446 1.555,447 0.027,448 -1,449 -1.213,451 -2,452 -0.936,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.949,462 10.2,463 0.464,464 0.315,465 0.014,466 28.25,467 1.284,468 15,469 0.682,470 13.25,471 0.602,472 14.756,473 0.671,474 24,475 0.615,476 19.559,477 0.889,478 5.914,479 0.269,480 4.857,481 0.221,482 0.065,484 0.196,487 0.664,488 1.095,489 0.763,490 1.075,491 0.684,492 0.973,493 0.701,494 1.34,495 0.917,496 1.228,497 0.488,498 1.14,499 1.061,500 1.009,501 0.947,502 0.91,503 0.995,504 0.905,505 1.208,506 0.98,507 0.952,508 0.866,509 0.975,510 0.849,511 1.595,512 1.039,513 1.097,514 0.859,515 1.144,516 0.865,517 1.173,518 1.018,519 1.25,520 0.975,521 0.983,522 1.089,523 0.578,524 0.961,525 1.096,526 1.069,527 0.421,528 1.168,529 0.391,530 0.992,531 0.985,532 1.139,533 0.43,534 1.173,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16273,547 2.022,548 43.6,549 2,550 9,552 1,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.448,570 4.301,571 4.805,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,583 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.098,604 0.081,605 0.033,606 0.013,607 -0.012,609 0.083,610 -0.264,611 -0.055,612 -0.182,613 0.177,614 -0.156,615 -0.108,616 -0.031,617 0.035,618 0.049,619 -0.113,620 0.066,621 -0.091,622 0.023,623 0.052,624 0.057,625 -0.092,626 0.081,627 -0.259,628 -0.004,629 -0.1,630 0.065,631 -0.198,632 0.025,633 -0.043,634 0.038,635 -0.296,636 -0.027,637 -0.091,638 -0.176,639 0.045,640 0.037,641 -0.173,642 -0.071,643 0.054,644 -0.154,645 0.049,646 -0.05,647 -0.057,648 -0.121,649 0.022,650 -0.108,651 2.465,652 3.427,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.332,874 2.058,875 1.335,876 0.907,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.055,893 3.227,894 7.962,895 15.074,897 11.466,899 2.462,900 54.167,904 188.338,905 97.186,906 52.726,908 79.047,911 97.186,912 267.385,913 52.726,915 12.196,916 66.334,917 116.592,918 45.608,920 176.567,922 188.338,923 149.912,924 79.047,927 164.795,928 102.589,931 43.4,932 73.186,933 33.326,935 188.338,936 131.773,937 97.186,940 188.338,941 21.805,942 75.381,944 131.773,945 188.338,946 131.773,947 97.186,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 131.773,973 14.772,974 7.912,978 1.507,980 42.683,981 417.297,982 31,987 10.427,990 4.148,991 -0.194,994 39.473,995 44.03,996 0.306,997 0.652,998 0.814,999 0.909,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.999,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.384,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.463,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.077,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.642,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.962,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.784,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.966,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.92,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.04,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.058,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.152,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.202,1128 5050,1129 9238,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.518,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.711,1141 5.256,1142 5.999,1143 6.322,1144 5.021,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.94,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.414,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.379,1160 3.964,1161 3.997,1162 3.916,1163 3.884,1164 7.474,1165 3.884,1166 3.768,1167 3.815,1168 3.703,1169 3.646,1170 6.351,1171 3.655,1172 3.727,1173 3.775,1174 3.6,1175 3.568,1176 5.095,1177 3.563,1178 3.419,1179 3.445,1180 3.329,1181 3.151,1182 4.86,1183 3.183,1184 3.19,1185 3.234,1186 3.106,1187 3.026,1188 4.676,1189 3.036,1190 2.87,1191 2.925,1192 2.701,1193 2.735,1194 4.035,1195 2.715,1196 2.854,1197 2.917,1198 2.687,1199 2.552,1200 3.889,1201 2.576,1202 2.671,1203 2.755,1204 2.548,1205 2.524,1206 3.785,1207 2.527,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.985,1220 0.128,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.94,1226 1.927,1227 1.9,1228 2.032,1229 2.028,1230 1.276,1231 2.027,1232 1.734,1233 1.691,1234 1.949,1235 1.896,1236 1.103,1237 1.912,1238 1.703,1239 1.651,1240 1.852,1241 1.88,1242 0.848,1243 1.877,1244 1.305,1245 1.268,1246 1.555,1247 1.605,1248 0.77,1249 1.576,1250 1.132,1251 1.09,1252 1.276,1253 1.342,1254 0.347,1255 1.315,1256 0.886,1257 0.821,1258 1.181,1259 1.12,1260 0.218,1261 1.111,1262 0.756,1263 0.707,1264 1.086,1265 1.062,1266 0.209,1267 1.107,1268 0.676,1269 0.613,1270 0.96,1271 0.887,1272 0.021,1273 0.908,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.572,1290 1.71,1292 5.314,1300 24.896,1301 63.134,1302 134.479,1303 167.724,1304 187.376,1305 190.131,1306 190.131,1307 41.006,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.92,1333 10.274,1334 6.811,1335 5.687,1336 10.771,1337 7.024,1338 8.845,1339 0.316,1340 0.164,1341 8.845,1342 4.599,1343 6.58,1344 0.199,1345 0.088,1346 6.58,1347 2.894,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.824,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.135,1358 0.411,1359 68.188,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.136,1366 348.715,1367 461.15,1368 324,1369 112,1370 330.981,1371 123.254,1372 328.108,1373 462.6,1374 308,1375 4} {0 CHEMBL131334,1 1.59,2 10.652,3 2.847,4 8.105,5 87.385,6 7.462,7 0.5,8 3.819,9 3.93,10 3.369,11 3.33,12 5.023,13 3.313,14 4.296,15 4.46,16 3.597,17 3.651,18 5.481,19 3.597,20 4.553,21 4.785,22 3.587,23 3.711,24 5.563,25 3.633,26 4.489,27 4.717,28 3.568,29 3.612,30 5.543,31 3.558,32 4.451,33 4.649,34 3.599,35 3.607,36 5.567,37 3.571,38 4.459,39 4.661,40 3.506,41 3.637,42 5.531,43 3.564,44 4.461,45 4.703,46 3.333,47 3.582,48 5.519,49 3.456,50 4.322,51 4.597,52 3.102,53 3.446,54 5.243,55 3.287,56 0.116,57 0.589,58 8.451,59 3.915,60 13.342,61 4.94,62 0.226,63 0.881,64 14.972,65 6.04,66 40.993,67 8.109,68 0.336,69 1.028,70 21.857,71 7.238,72 50.219,73 10.209,74 0.349,75 0.956,76 20.602,77 6.457,78 47.586,79 9.035,80 0.43,81 0.914,82 19.605,83 6.187,84 48.676,85 8.199,86 0.373,87 0.938,88 19.415,89 6.511,90 45.296,91 8.818,92 0.49,93 0.932,94 20.164,95 6.513,96 57.895,97 9.509,98 0.3,99 0.812,100 17.686,101 5.989,102 38.512,103 9.055,104 13,105 29,106 0.28,107 0.6,108 0.758,109 0.864,110 0.875,111 0.875,112 3.187,113 0.939,114 -3.71,115 -3.68,116 -3.5,118 40.5,120 4,124 1,140 6,141 2,143 2,153 1,154 1,162 2,163 1,167 1,168 10,169 1,172 6,175 1,177 1,180 9,181 1,186 10,191 1,194 7,195 1,197 1,198 9,203 1,206 4,207 1,209 2,210 9,215 1,218 5,221 1,222 6,223 1,229 6,233 1,234 4,235 1,237 1,242 7,246 1,247 3,250 1,255 8,259 2,267 6,268 2,270 916,271 15.778,272 15.778,273 15.778,274 15.778,275 15.778,276 13.91,277 8.2,278 10.19,279 15.96,280 11.915,281 11.915,282 11.915,283 11.915,284 11.915,285 9.255,286 5.628,287 4.921,288 12.175,289 3.803,290 1.988,291 1.09,292 0.494,293 0.429,294 0.429,295 3.857,298 1,299 1,300 1,301 505,302 3.742,306 175.781,313 1.554,314 21.568,315 1,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 50.5,326 245,327 4.369,328 3.999,329 6.498,330 3.992,331 3.006,332 3.943,333 2.373,334 10.173,335 2.961,336 3.736,337 3.596,338 5.247,339 3.27,340 2.278,341 3.298,342 2.341,343 6.4,344 2.258,345 3.55,346 2.937,347 4.659,348 3.241,349 2.236,350 2.71,352 5.184,353 2.222,354 3.28,355 2.278,356 4.224,357 2.811,358 1.854,359 2.58,361 4.075,362 1.768,363 2.83,364 1.838,365 3.789,366 2.664,367 1.685,368 1.908,370 3.497,371 1.646,372 2.781,373 1.698,374 3.555,375 2.302,376 1.317,377 1.85,379 2.88,380 1.295,381 2.578,382 1.318,383 3.465,384 2.276,385 1.313,386 1.542,388 2.743,389 1.254,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.96,403 1,404 1.5,406 2.136,407 0.957,408 2.138,409 1,410 3.151,411 1.823,412 0.848,413 1.038,415 1.91,416 0.822,417 1.517,418 0.871,419 2.674,420 1.342,421 0.37,422 0.413,424 0.815,425 0.357,426 0.964,427 0.66,428 2.198,429 0.781,430 -0.212,431 -0.227,433 -0.459,434 -0.208,435 0.719,436 0.28,437 2.158,438 0.278,439 -0.705,440 -0.864,442 -1.547,443 -0.687,444 0.621,445 -0.348,446 1.62,447 0.201,448 -0.76,449 -0.952,451 -1.67,452 -0.717,453 0.5,454 -0.627,455 1.555,457 -1,458 -1.295,460 -2,461 -0.963,462 10.7,463 0.465,464 0.315,465 0.014,466 28.75,467 1.25,468 15,469 0.652,470 13.75,471 0.598,472 16.395,473 0.713,474 25.3,475 0.602,476 19.845,477 0.863,478 5.913,479 0.257,480 5.358,481 0.233,482 0.062,484 0.187,487 0.66,488 1.117,489 0.789,490 1.1,491 0.67,492 1.001,493 0.699,494 1.277,495 0.944,496 1.208,497 0.48,498 1.139,499 1.02,500 1.022,501 0.947,502 0.938,503 0.954,504 0.93,505 1.152,506 0.97,507 0.949,508 0.915,509 0.915,510 0.891,511 1.436,512 0.917,513 1.059,514 0.882,515 1.029,516 0.9,517 1.237,518 1.085,519 1.173,520 1.067,521 1.01,522 1.107,523 0.735,524 1.024,525 1.11,526 1.022,527 0.806,528 1.113,529 0.424,530 0.917,531 0.959,532 0.994,533 0.372,534 1.06,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.066,544 0.051,545 5804,546 18548,547 2.021,548 45.2,549 4,550 8,552 2,553 1,554 2,555 2,558 1.656,559 1.944,560 3.345,561 -0.284,562 1,563 1,565 1,567 66.77,568 1.59,569 3.405,570 4.302,571 4.898,572 4.964,573 4.964,574 2.699,575 3.567,576 4.488,577 3.571,578 903.52,579 7.725,580 11000.6,581 1,582 1,584 1,585 226.477,586 1.068,587 4.48,588 0.104,589 0.008,590 0.054,591 0.036,592 0.017,593 0.009,594 0.01,595 0.008,596 0.004,597 0.004,598 0.253,599 0.33,600 1,601 2.076,602 110.277,603 0.105,604 0.075,605 0.034,606 0.01,607 0.007,608 -0.001,609 0.079,610 -0.191,611 -0.066,612 -0.148,613 0.182,614 -0.138,615 -0.109,616 -0.051,617 0.025,618 0.042,619 -0.099,620 0.056,621 -0.108,622 0.014,623 0.044,624 0.036,625 -0.076,626 0.067,627 -0.16,628 0.079,629 -0.057,630 0.077,631 -0.134,632 0.033,633 -0.162,634 -0.084,635 -0.207,636 -0.084,637 -0.17,638 -0.147,639 0.108,640 -0.046,641 -0.143,642 -0.058,643 0.003,644 -0.132,645 0.131,646 0.045,647 -0.011,648 -0.019,649 0.119,650 -0.039,651 2.43,652 3.427,653 0.522,654 22.514,655 1.008,656 1.13,657 2.482,658 6.159,659 0.654,660 3.219,661 3.401,662 3.555,663 3.738,664 3.892,665 3.784,666 3.85,667 3.829,668 3.714,669 3.611,670 6.525,671 0.629,672 313.39,673 3.219,674 4.673,675 5.451,676 6.26,677 7.064,678 7.886,679 8.705,680 9.536,681 10.363,682 11.199,683 7.1,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 42,726 14,727 1,728 24,730 43,731 17,733 10,734 1,735 5,736 1,739 2,740 2,751 4,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,772 19,773 6,774 1,775 6,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,840 23,845 1,846 5,848 1,862 7.1,864 1,865 1,867 1,869 11.833,870 7.3,871 5.389,872 2.571,874 2.037,875 1.328,876 0.906,877 7.052,878 8.255,879 3.497,880 3.951,881 4.413,882 4.914,883 5.402,884 5.398,885 5.772,886 5.982,887 6.093,888 6.171,889 0.857,890 28,891 8.429,893 3.363,894 7.92,895 15.891,897 12.141,899 2.42,900 55.667,903 1,904 211.88,905 99.721,906 52.726,908 79.047,911 99.721,912 290.927,913 52.726,915 14.731,916 56.857,917 128.363,918 55.085,920 188.338,922 211.88,923 152.446,924 79.047,927 188.338,928 102.589,931 52.225,932 66.895,933 33.326,935 211.88,936 131.773,937 99.721,940 211.88,941 24.768,942 74.952,944 131.773,945 211.88,946 131.773,947 99.721,949 0.541,950 0.289,951 0.158,952 0.087,953 10,954 4,955 0.209,956 9,958 1,959 3.671,960 159.992,962 12,963 100.042,968 16.946,969 9.571,970 6.07,972 131.773,973 14.799,974 7.646,978 1.767,980 42.683,981 443.373,982 32,987 10.427,990 4.23,991 -0.063,994 42.356,995 47.445,996 0.295,997 0.631,998 0.798,999 0.908,1000 0.921,1001 0.921,1002 4.644,1003 1,1004 5.342,1005 2.743,1006 4.078,1007 4.635,1008 3.036,1009 6.004,1010 4.038,1011 5.776,1012 1,1013 6.795,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 7.012,1021 0.848,1022 8.362,1023 2.136,1024 5.493,1025 6.651,1026 4.616,1027 9.809,1028 5.425,1029 8.287,1030 0.37,1031 10.01,1032 1.91,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.503,1038 9.602,1039 -0.212,1040 11.717,1041 0.815,1042 7.216,1043 8.968,1044 6.289,1045 14.117,1046 7.123,1047 10.945,1048 -0.705,1049 13.468,1050 -0.459,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.694,1056 12.313,1057 -0.76,1058 15.251,1059 -1.547,1060 9.136,1061 11.447,1062 7.991,1063 18.634,1064 9.017,1065 3.006,1066 -1,1067 17.057,1068 -1.67,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.85,1074 2.278,1075 10.173,1076 18.879,1077 -2,1078 11.181,1079 14.023,1080 9.704,1081 23.227,1082 11.035,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.999,1092 1.854,1093 5.184,1094 22.557,1095 3.298,1096 13.3,1097 16.66,1098 11.42,1099 27.849,1100 13.123,1101 1.685,1102 4.075,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.151,1110 1.317,1111 3.497,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 13.139,1117 32.481,1118 15.251,1119 1.313,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.309,1128 5880,1129 10612,1130 16.178,1131 27.472,1132 34.221,1133 36.124,1134 34.342,1135 33.818,1136 33.815,1137 44.566,1138 9.428,1139 83.899,1140 33.08,1141 5.277,1142 5.999,1143 6.36,1144 5.026,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.961,1150 9.248,1151 1.426,1152 1.505,1153 1.431,1154 1.409,1155 1.409,1156 1.857,1157 0.393,1158 3.496,1159 1.378,1160 3.968,1161 4.001,1162 3.92,1163 3.892,1164 7.474,1165 3.892,1166 3.768,1167 3.814,1168 3.702,1169 3.648,1170 6.351,1171 3.655,1172 3.75,1173 3.802,1174 3.617,1175 3.605,1176 5.089,1177 3.596,1178 3.492,1179 3.526,1180 3.383,1181 3.257,1182 4.886,1183 3.274,1184 3.216,1185 3.26,1186 3.146,1187 2.992,1188 4.676,1189 3.018,1190 3.012,1191 3.063,1192 2.857,1193 2.75,1194 4.09,1195 2.772,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.892,1201 2.715,1202 2.771,1203 2.854,1204 2.627,1205 2.603,1206 3.789,1207 2.597,1208 0.182,1209 0.167,1210 0.271,1211 0.166,1212 0.125,1213 4.369,1214 0.164,1215 3.999,1216 0.099,1217 6.498,1218 0.424,1219 3.992,1220 0.123,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.961,1226 1.933,1227 1.907,1228 2.036,1229 2.03,1230 1.329,1231 2.03,1232 1.744,1233 1.695,1234 1.986,1235 1.919,1236 1.113,1237 1.942,1238 1.727,1239 1.68,1240 1.842,1241 1.879,1242 0.94,1243 1.873,1244 1.416,1245 1.371,1246 1.676,1247 1.68,1248 0.858,1249 1.669,1250 1.107,1251 1.061,1252 1.296,1253 1.393,1254 0.453,1255 1.351,1256 0.94,1257 0.891,1258 1.208,1259 1.217,1260 0.279,1261 1.212,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.762,1269 0.689,1270 1.047,1271 0.99,1272 0.072,1273 1.013,1274 3.892,1276 5.106,1278 6.512,1280 8.011,1282 9.564,1289 8.577,1290 2.88,1292 5.404,1300 26.423,1301 66.77,1302 142.993,1303 180.703,1304 205.722,1305 208.477,1306 208.477,1307 44.491,1308 6.219,1309 84.67,1310 84.67,1311 12,1312 11.77,1313 3.907,1314 3.17,1315 45.392,1316 84,1317 101,1318 0.246,1319 168.006,1320 294.39,1321 401.694,1322 3384,1324 16.33,1325 0.71,1326 0.555,1327 16.33,1328 12.76,1329 11.271,1330 0.47,1331 0.313,1332 7.409,1333 10.766,1334 7.287,1335 6.092,1336 11.271,1337 7.514,1338 9.199,1339 0.317,1340 0.172,1341 9.199,1342 4.975,1343 6.83,1344 0.201,1345 0.094,1346 6.83,1347 3.187,1348 5.444,1349 0.133,1350 0.049,1351 5.444,1352 2.029,1353 4.284,1354 0.089,1355 0.026,1356 4.284,1357 1.255,1358 0.394,1359 71.234,1360 0.249,1361 23.183,1362 0.652,1363 106,1364 370.556,1365 117.803,1366 352.857,1367 465.95,1368 328,1369 116,1370 332.629,1371 126.726,1372 330.576,1373 464.48,1374 310,1375 5.42} {0 CHEMBL131415,1 1.874,2 10.577,3 3.078,4 9.477,5 86.365,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.159,13 3.352,14 4.368,15 4.514,16 3.9,17 3.633,18 6.142,19 3.657,20 4.553,21 4.753,22 3.84,23 3.703,24 5.854,25 3.704,26 4.565,27 4.767,28 3.839,29 3.612,30 5.935,31 3.651,32 4.485,33 4.656,34 3.852,35 3.581,36 5.878,37 3.644,38 4.495,39 4.669,40 3.83,41 3.62,42 5.97,43 3.642,44 4.512,45 4.711,46 3.81,47 3.642,48 6.014,49 3.614,50 4.486,51 4.718,52 3.639,53 3.578,54 5.838,55 3.532,56 0.281,57 0.802,58 6.17,59 3.909,60 45.126,61 4.069,62 1.023,63 1.509,64 13.947,65 6.009,66 173.764,67 6.673,68 0.814,69 1.273,70 19.577,71 7.085,72 104.307,73 8.562,74 1.035,75 1.3,76 21.332,77 6.737,78 142.263,79 7.429,80 0.922,81 1.226,82 17.988,83 5.839,84 112.848,85 6.118,86 1.029,87 1.243,88 17.541,89 5.843,90 117.708,91 6.596,92 1.091,93 1.244,94 18.754,95 6.677,96 98.003,97 8.518,98 0.825,99 1.329,100 19.32,101 7.089,102 111.815,103 8.807,104 36,105 36,106 0.33,107 0.677,108 0.818,109 0.889,110 0.897,111 0.897,112 3.304,113 0.859,114 -3.52,115 -3.5,116 -3.34,118 40.5,120 3,124 1,131 1,140 4,141 2,143 3,144 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 7,181 1,185 2,186 7,191 1,194 3,195 1,197 2,198 10,203 1,209 1,210 8,211 1,218 1,221 1,222 5,223 1,225 1,229 3,233 1,234 3,237 1,242 5,247 2,255 5,256 1,259 2,260 1,264 1,267 3,268 2,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.488,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.222,289 3.518,290 1.551,291 0.75,292 0.351,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.714,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.199,331 3.327,332 4.031,333 3.825,334 11.708,335 3.009,336 4.287,337 3.999,338 6.494,339 3.937,340 2.982,341 3.669,342 2.373,343 10.157,344 2.759,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.214,358 2.235,359 2.71,361 5.184,362 2.132,363 3.252,364 2.347,365 4.601,366 2.773,367 1.837,368 2.489,370 4.714,371 1.703,372 2.806,373 1.92,374 4.097,375 2.606,376 1.655,377 1.918,379 3.696,380 1.558,381 2.788,382 1.726,383 3.709,384 2.327,385 1.372,386 1.818,388 3.224,389 1.297,390 2.574,391 1.454,392 3.498,393 2.153,394 1.185,395 1.603,397 2.629,398 1.138,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.916,412 1,413 1.441,415 2.136,416 0.915,417 1.932,418 1,419 3.041,420 1.622,421 0.673,422 0.816,424 1.556,425 0.632,426 1.234,427 0.814,428 2.73,429 1.092,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.412,439 -0.549,440 -0.613,442 -1.231,443 -0.514,444 0.744,445 0.51,446 2.288,447 0.31,448 -0.658,449 -0.876,451 -1.549,452 -0.633,453 0.625,454 0.504,455 2,456 0.179,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.877,473 0.765,474 29.843,475 0.711,476 26.483,477 1.019,478 6.64,479 0.255,480 5.736,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.646,492 0.976,493 0.521,494 0.853,495 0.74,496 1.086,497 0.393,498 1.049,499 0.77,500 0.876,501 0.826,502 0.987,503 0.669,504 0.958,505 1.163,506 1.044,507 1.003,508 0.918,509 1.057,510 0.882,511 1.213,512 1.058,513 1.012,514 0.928,515 0.98,516 0.877,517 0.928,518 0.866,519 1.083,520 0.953,521 0.867,522 1.049,523 0.477,524 0.812,525 0.857,526 1.018,527 0.498,528 1.115,529 0.732,530 1.034,531 0.954,532 1.173,533 0.804,534 1.186,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31747,547 1.943,548 38.1,549 2,550 6,552 3,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.841,570 4.642,571 5.041,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.33,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.082,608 -0.01,609 0.323,610 0.188,611 0.08,612 -0.044,613 0.416,614 -0.092,615 -0.059,616 -0.115,617 0.075,618 -0.024,619 -0.017,620 0.053,621 -0.19,622 -0.093,623 -0.019,624 0.034,625 -0.154,626 0.083,627 -0.251,628 -0.152,629 -0.091,630 0.011,631 -0.168,632 0.038,633 -0.026,634 0.065,635 -0.19,636 -0.014,637 -0.069,638 -0.136,639 0.315,640 0.085,641 0.063,642 -0.042,643 0.19,644 -0.115,645 0.069,646 -0.048,647 0.016,648 -0.164,649 0.028,650 -0.129,651 5.735,652 4.943,653 0.462,654 26.083,655 1.045,656 1.154,657 2.292,658 5.254,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,793 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.428,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.037,893 4.622,894 8.542,895 17.097,897 13.186,899 3.042,900 79.083,903 1,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 37.905,917 140.379,918 111.769,920 141.253,921 7.76,922 176.567,923 150.768,924 123.927,927 153.024,928 147.47,931 69.254,932 47.943,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 24.99,942 65.047,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.898,973 8.859,974 7.946,978 -0.365,980 42.683,981 451.262,982 35,987 10.448,990 3.903,991 -0.792,994 43.894,995 48.464,996 0.348,997 0.712,998 0.861,999 0.935,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.173,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.7,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.647,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.99,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.437,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.167,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.4,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.317,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.458,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.463,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.568,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.615,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.706,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.773,1128 7498,1129 15800,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.756,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.068,1141 5.384,1142 6.46,1143 6.943,1144 5.267,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.009,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.472,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.373,1160 3.987,1161 4.017,1162 3.953,1163 3.904,1164 8.513,1165 3.908,1166 3.789,1167 3.837,1168 3.748,1169 3.631,1170 7.999,1171 3.653,1172 3.726,1173 3.775,1174 3.601,1175 3.566,1176 7.999,1177 3.562,1178 3.433,1179 3.462,1180 3.395,1181 3.165,1182 7.474,1183 3.203,1184 3.332,1185 3.37,1186 3.283,1187 3.078,1188 6.351,1189 3.109,1190 3.144,1191 3.192,1192 3.069,1193 2.931,1194 5.063,1195 2.955,1196 2.873,1197 2.92,1198 2.703,1199 2.632,1200 4.832,1201 2.617,1202 2.754,1203 2.828,1204 2.608,1205 2.544,1206 4.624,1207 2.582,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.199,1220 0.111,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.009,1226 1.937,1227 1.914,1228 2.021,1229 2.04,1230 1.276,1231 2.032,1232 1.723,1233 1.676,1234 1.948,1235 1.904,1236 1.131,1237 1.913,1238 1.7,1239 1.648,1240 1.818,1241 1.888,1242 0.78,1243 1.876,1244 1.308,1245 1.271,1246 1.554,1247 1.609,1248 0.76,1249 1.577,1250 1.177,1251 1.142,1252 1.291,1253 1.457,1254 0.37,1255 1.377,1256 1.039,1257 0.993,1258 1.204,1259 1.305,1260 0.258,1261 1.266,1262 0.771,1263 0.714,1264 1.089,1265 1.12,1266 0.21,1267 1.114,1268 0.758,1269 0.706,1270 1.044,1271 0.961,1272 0.113,1273 0.993,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.83,1289 8.572,1290 1.009,1292 5.158,1296 -4.485,1300 27.573,1301 78.726,1302 161.316,1303 194.968,1304 211.722,1305 213.722,1306 213.722,1307 80.663,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.286,1332 7.551,1333 11.582,1334 7.489,1335 6.176,1336 11.165,1337 7.735,1338 11.437,1339 0.318,1340 0.147,1341 9.479,1342 5.293,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.301,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.065,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.307,1358 0.42,1359 80.069,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.153,1366 536.73,1367 679.6,1368 494,1369 140,1370 459.449,1371 161.702,1372 439.058,1373 647.44,1374 410,1375 5.538} {0 CHEMBL131949,1 1.619,2 9.818,3 2.23,4 4.973,5 81.773,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.981,13 3.253,14 4.22,15 4.382,16 3.561,17 3.575,18 5.453,19 3.535,20 4.447,21 4.661,22 3.551,23 3.63,24 5.508,25 3.566,26 4.405,27 4.631,28 3.533,29 3.511,30 5.51,31 3.478,32 4.325,33 4.501,34 3.563,35 3.498,36 5.515,37 3.488,38 4.346,39 4.537,40 3.476,41 3.542,42 5.545,43 3.482,44 4.341,45 4.587,46 3.246,47 3.518,48 5.339,49 3.39,50 4.233,51 4.499,52 3.02,53 3.412,54 5.081,55 3.254,56 0.105,57 0.55,58 7.48,59 3.476,60 12.395,61 4.338,62 0.277,63 0.823,64 13.505,65 5.38,66 43.273,67 7.031,68 0.319,69 0.939,70 19.073,71 6.565,72 47.347,73 8.971,74 0.399,75 0.887,76 18.914,77 5.673,78 50.11,79 7.776,80 0.447,81 0.817,82 16.695,83 5.176,84 46.026,85 6.598,86 0.491,87 0.867,88 16.793,89 5.451,90 53.36,91 7.377,92 0.348,93 0.857,94 17.403,95 5.941,96 39.512,97 8.644,98 0.192,99 0.758,100 15.701,101 5.786,102 26.002,103 8.483,104 12,105 28,106 0.29,107 0.636,108 0.779,109 0.833,110 0.845,111 0.845,112 3.145,113 0.913,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 5,141 2,143 2,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 6,175 1,177 1,180 8,181 1,186 7,191 1,194 5,195 1,197 2,198 9,203 1,206 2,209 2,210 8,211 1,218 3,221 1,222 5,223 1,225 1,229 4,233 1,234 4,237 1,242 6,247 2,255 5,256 2,259 4,264 2,267 3,268 2,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.32,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.774,289 3.667,290 1.734,291 0.932,292 0.635,293 0.564,294 0.564,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 21.976,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.99,331 3.006,332 3.943,333 2.373,334 10.173,335 2.957,336 3.736,337 3.596,338 5.247,339 3.261,340 2.278,341 3.298,342 2.341,343 6.4,344 2.24,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.774,358 1.828,359 2.58,361 4.066,362 1.723,363 2.792,364 1.806,365 3.73,366 2.594,367 1.634,368 1.908,370 3.366,371 1.564,372 2.781,373 1.66,374 3.555,375 2.281,376 1.317,377 1.814,379 2.88,380 1.265,381 2.503,382 1.317,383 3.4,384 2.143,385 1.172,386 1.5,388 2.524,389 1.129,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.917,403 1,404 1.439,406 2.136,407 0.916,408 1.932,409 1,410 3,411 1.622,412 0.671,413 0.815,415 1.531,416 0.632,417 1.234,418 0.809,419 2.459,420 1.092,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.404,430 -0.555,431 -0.615,433 -1.223,434 -0.517,435 0.719,436 0.008,437 1.879,438 0.257,439 -0.705,440 -0.952,442 -1.547,443 -0.674,444 0.5,445 -0.614,446 1.555,447 0.017,448 -1,449 -1.213,451 -2,452 -0.93,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.946,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.627,473 0.665,474 24,475 0.615,476 19.687,477 0.895,478 5.956,479 0.271,480 4.814,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.694,492 0.985,493 0.738,494 1.115,495 0.945,496 1.105,497 0.513,498 1.072,499 1.021,500 1.137,501 0.955,502 1.025,503 0.982,504 0.991,505 1.202,506 0.877,507 0.945,508 0.836,509 0.955,510 0.828,511 1.519,512 1.016,513 1.094,514 0.893,515 1.101,516 0.91,517 1.02,518 1.101,519 1.179,520 1.04,521 0.911,522 1.116,523 0.607,524 0.952,525 1.07,526 1.012,527 0.427,528 1.11,529 0.426,530 0.974,531 0.999,532 1.114,533 0.451,534 1.156,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16393,547 2.022,548 43.6,549 2,550 7,552 3,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.552,570 4.353,571 4.651,572 4.721,573 4.721,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.022,608 -0.013,609 0.075,610 -0.02,611 -0.074,612 -0.076,613 0.164,614 -0.101,615 -0.108,616 -0.169,617 0.005,618 -0.032,619 -0.116,620 -0.002,621 -0.116,622 0.114,623 0.063,624 0.09,625 -0.093,626 0.112,627 -0.176,628 -0.006,629 -0.102,630 0.055,631 -0.17,632 -0.004,633 0.022,634 -0.063,635 -0.23,636 -0.08,637 -0.048,638 -0.182,639 0.04,640 0.045,641 -0.129,642 -0.035,643 0.061,644 -0.104,645 0.03,646 -0.019,647 -0.071,648 -0.104,649 0.011,650 -0.101,651 2.463,652 3.428,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.303,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.054,893 3.222,894 7.962,895 15.074,897 11.458,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 47.381,917 140.379,918 63.703,920 153.024,922 188.338,923 149.299,924 79.047,927 164.795,928 102.589,931 58.309,932 57.419,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 22.234,942 74.095,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 90.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.426,974 7.991,978 1.669,980 42.683,981 416.684,982 31,987 10.428,990 4.17,991 -0.144,994 39.473,995 44.03,996 0.306,997 0.672,998 0.824,999 0.88,1000 0.893,1001 0.893,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.989,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.378,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.498,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.085,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.685,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.987,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.835,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 11.009,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.981,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.098,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.13,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.225,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.284,1128 5050,1129 9264,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.499,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.483,1141 5.256,1142 5.999,1143 6.322,1144 5.058,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.957,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.369,1160 3.966,1161 3.999,1162 3.918,1163 3.888,1164 7.474,1165 3.889,1166 3.764,1167 3.812,1168 3.701,1169 3.63,1170 6.351,1171 3.643,1172 3.726,1173 3.774,1174 3.6,1175 3.567,1176 5.065,1177 3.563,1178 3.416,1179 3.443,1180 3.326,1181 3.14,1182 4.864,1183 3.173,1184 3.174,1185 3.222,1186 3.097,1187 2.98,1188 4.676,1189 3,1190 2.868,1191 2.925,1192 2.7,1193 2.735,1194 4.037,1195 2.715,1196 2.854,1197 2.916,1198 2.687,1199 2.549,1200 3.962,1201 2.576,1202 2.679,1203 2.776,1204 2.56,1205 2.522,1206 3.781,1207 2.526,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.99,1220 0.129,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.957,1226 1.93,1227 1.903,1228 2.033,1229 2.03,1230 1.276,1231 2.028,1232 1.721,1233 1.676,1234 1.949,1235 1.896,1236 1.108,1237 1.912,1238 1.7,1239 1.649,1240 1.822,1241 1.877,1242 0.813,1243 1.869,1244 1.3,1245 1.262,1246 1.553,1247 1.604,1248 0.768,1249 1.575,1250 1.093,1251 1.044,1252 1.237,1253 1.331,1254 0.263,1255 1.296,1256 0.886,1257 0.821,1258 1.181,1259 1.117,1260 0.218,1261 1.109,1262 0.755,1263 0.707,1264 1.085,1265 1.062,1266 0.207,1267 1.107,1268 0.677,1269 0.612,1270 0.962,1271 0.912,1273 0.918,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.573,1290 1.728,1292 5.326,1300 24.896,1301 63.134,1302 138.521,1303 169.766,1304 181.376,1305 184.131,1306 184.131,1307 40.542,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.304,1332 6.888,1333 10.271,1334 6.773,1335 5.657,1336 10.771,1337 6.997,1338 8.845,1339 0.316,1340 0.165,1341 8.845,1342 4.617,1343 6.58,1344 0.199,1345 0.088,1346 6.58,1347 2.913,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.843,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.139,1358 0.411,1359 68.234,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 113.858,1366 348.612,1367 458.71,1368 324,1369 112,1370 323.097,1371 122.81,1372 323.345,1373 455.84,1374 302,1375 7.125} {0 CHEMBL132043,1 1.619,2 9.818,3 2.659,4 7.068,5 81.401,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.978,13 3.253,14 4.221,15 4.381,16 3.566,17 3.569,18 5.46,19 3.53,20 4.451,21 4.671,22 3.551,23 3.62,24 5.515,25 3.559,26 4.38,27 4.594,28 3.532,29 3.509,30 5.493,31 3.476,32 4.338,33 4.526,34 3.557,35 3.495,36 5.509,37 3.49,38 4.34,39 4.517,40 3.476,41 3.554,42 5.556,43 3.493,44 4.343,45 4.586,46 3.246,47 3.547,48 5.324,49 3.408,50 4.273,51 4.549,52 3.029,53 3.414,54 5.111,55 3.252,56 0.105,57 0.55,58 7.48,59 3.476,60 12.378,61 4.338,62 0.269,63 0.825,64 13.472,65 5.361,66 42.655,67 7.034,68 0.36,69 0.941,70 19.393,71 6.471,72 50.518,73 8.853,74 0.375,75 0.865,76 18.113,77 5.542,78 46.617,79 7.629,80 0.404,81 0.837,82 17.045,83 5.065,84 46.711,85 6.491,86 0.555,87 0.849,88 16.649,89 5.547,90 54.86,91 7.265,92 0.299,93 0.864,94 17.142,95 6.33,96 36.068,97 9.159,98 0.208,99 0.781,100 16.685,101 5.914,102 28.218,103 8.817,104 12,105 28,106 0.29,107 0.636,108 0.789,109 0.86,110 0.873,111 0.873,112 3.145,113 0.914,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 6,141 1,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 1,186 8,191 1,194 4,195 1,197 1,198 10,203 1,206 2,209 1,210 7,211 1,218 3,221 2,222 5,223 1,225 1,229 5,233 1,234 3,237 1,242 6,247 3,255 6,256 1,259 2,260 1,264 1,267 3,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.326,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.786,289 3.667,290 1.731,291 0.879,292 0.481,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 22.144,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.983,331 3.006,332 3.943,333 2.373,334 10.173,335 2.936,336 3.736,337 3.596,338 5.247,339 3.254,340 2.278,341 3.298,342 2.341,343 6.4,344 2.222,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.776,358 1.828,359 2.58,361 4.066,362 1.727,363 2.792,364 1.806,365 3.73,366 2.597,367 1.634,368 1.908,370 3.366,371 1.567,372 2.781,373 1.66,374 3.555,375 2.28,376 1.317,377 1.814,379 2.88,380 1.265,381 2.503,382 1.317,383 3.4,384 2.14,385 1.172,386 1.5,388 2.524,389 1.126,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.942,403 1,404 1.439,406 2.136,407 0.939,408 1.932,409 1,410 3,411 1.618,412 0.671,413 0.815,415 1.531,416 0.629,417 1.234,418 0.809,419 2.459,420 1.091,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.405,430 -0.555,431 -0.615,433 -1.223,434 -0.519,435 0.719,436 0.008,437 1.879,438 0.27,439 -0.705,440 -0.952,442 -1.547,443 -0.685,444 0.5,445 -0.614,446 1.555,447 0.021,448 -1,449 -1.213,451 -2,452 -0.921,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.933,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.62,473 0.665,474 24,475 0.615,476 19.694,477 0.895,478 5.958,479 0.271,480 4.813,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.699,492 0.985,493 0.726,494 1.19,495 0.936,496 1.146,497 0.504,498 1.094,499 1.038,500 0.998,501 0.95,502 0.934,503 0.99,504 0.928,505 1.184,506 1.054,507 0.953,508 0.919,509 0.958,510 0.888,511 1.595,512 0.938,513 1.1,514 0.838,515 1.131,516 0.853,517 1.104,518 0.996,519 1.245,520 1.007,521 0.943,522 1.13,523 0.449,524 1.042,525 1.033,526 1.129,527 0.367,528 1.192,529 0.424,530 0.981,531 0.959,532 1.079,533 0.437,534 1.112,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16393,547 2.022,548 43.6,549 2,550 8,552 2,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.554,570 4.407,571 4.805,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,583 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.027,608 -0.013,609 0.088,610 -0.098,611 -0.065,612 -0.118,613 0.174,614 -0.125,615 -0.101,616 -0.023,617 0.022,618 0.042,619 -0.113,620 0.052,621 -0.103,622 -0.065,623 0.041,624 0.024,625 -0.095,626 0.057,627 -0.289,628 0.089,629 -0.101,630 0.088,631 -0.203,632 0.045,633 0.035,634 0.036,635 -0.295,636 -0.035,637 -0.066,638 -0.201,639 0.104,640 -0.058,641 -0.113,642 -0.121,643 0.092,644 -0.16,645 0.044,646 -0.04,647 -0.013,648 -0.082,649 0.029,650 -0.058,651 2.463,652 3.428,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.314,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.056,893 3.224,894 7.962,895 15.074,897 11.449,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 56.857,917 128.608,918 54.227,920 164.795,922 188.338,923 149.299,924 79.047,927 164.795,928 102.589,931 52.019,932 63.71,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 21.805,942 74.523,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.475,974 8.09,978 1.568,980 42.683,981 416.684,982 31,987 10.428,990 4.16,991 -0.171,994 39.473,995 44.03,996 0.306,997 0.672,998 0.834,999 0.909,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.985,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.364,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.46,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.056,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.634,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.941,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.772,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.946,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.904,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.019,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.04,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.13,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.18,1128 5050,1129 9266,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.51,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.453,1141 5.256,1142 5.999,1143 6.322,1144 5.054,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.936,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.368,1160 3.964,1161 3.998,1162 3.917,1163 3.883,1164 7.474,1165 3.884,1166 3.765,1167 3.814,1168 3.702,1169 3.629,1170 6.351,1171 3.643,1172 3.726,1173 3.774,1174 3.6,1175 3.567,1176 5.07,1177 3.563,1178 3.417,1179 3.444,1180 3.327,1181 3.143,1182 4.852,1183 3.176,1184 3.177,1185 3.223,1186 3.099,1187 2.991,1188 4.676,1189 3.009,1190 2.866,1191 2.925,1192 2.697,1193 2.735,1194 4.057,1195 2.715,1196 2.854,1197 2.914,1198 2.687,1199 2.592,1200 3.89,1201 2.592,1202 2.776,1203 2.859,1204 2.63,1205 2.543,1206 3.768,1207 2.576,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.983,1220 0.128,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.936,1226 1.927,1227 1.899,1228 2.031,1229 2.029,1230 1.276,1231 2.027,1232 1.722,1233 1.675,1234 1.949,1235 1.896,1236 1.102,1237 1.912,1238 1.701,1239 1.649,1240 1.827,1241 1.879,1242 0.803,1243 1.871,1244 1.302,1245 1.264,1246 1.554,1247 1.604,1248 0.768,1249 1.575,1250 1.1,1251 1.054,1252 1.24,1253 1.332,1254 0.292,1255 1.298,1256 0.886,1257 0.821,1258 1.181,1259 1.114,1260 0.218,1261 1.107,1262 0.763,1263 0.707,1264 1.084,1265 1.062,1266 0.208,1267 1.106,1268 0.755,1269 0.683,1270 1.052,1271 0.996,1272 0.02,1273 1.022,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.573,1290 1.722,1292 5.321,1300 24.896,1301 63.134,1302 138.621,1303 171.866,1304 187.376,1305 190.131,1306 190.131,1307 40.235,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.899,1333 10.273,1334 6.789,1335 5.666,1336 10.771,1337 7.007,1338 8.845,1339 0.316,1340 0.164,1341 8.845,1342 4.585,1343 6.58,1344 0.199,1345 0.088,1346 6.58,1347 2.904,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.827,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.135,1358 0.411,1359 68.188,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.191,1366 348.289,1367 459.59,1368 324,1369 112,1370 325.449,1371 123.004,1372 324.45,1373 458.84,1374 304,1375 4} {0 CHEMBL132385,1 1.874,2 10.577,3 3.333,4 11.11,5 88.757,6 8.747,7 0.444,8 3.852,9 3.95,10 3.512,11 3.323,12 5.167,13 3.354,14 4.364,15 4.507,16 3.897,17 3.646,18 6.136,19 3.664,20 4.559,21 4.757,22 3.833,23 3.724,24 5.841,25 3.72,26 4.583,27 4.788,28 3.835,29 3.639,30 5.936,31 3.672,32 4.504,33 4.673,34 3.853,35 3.618,36 5.888,37 3.666,38 4.519,39 4.695,40 3.832,41 3.658,42 5.976,43 3.661,44 4.532,45 4.738,46 3.799,47 3.652,48 5.961,49 3.623,50 4.526,51 4.766,52 3.654,53 3.546,54 5.91,55 3.518,56 0.286,57 0.803,58 6.198,59 4.015,60 45.192,61 4.127,62 1.012,63 1.512,64 13.795,65 6.211,66 173.307,67 6.851,68 0.802,69 1.286,70 19.606,71 7.195,72 104.366,73 8.746,74 1.036,75 1.318,76 21.751,77 6.928,78 143.572,79 7.606,80 0.943,81 1.242,82 18.32,83 6.381,84 112.991,85 6.608,86 1.042,87 1.262,88 18.173,89 6.483,90 119.349,91 7.49,92 1.012,93 1.274,94 19.341,95 7.119,96 94.83,97 9.03,98 0.966,99 1.372,100 21.232,101 6.924,102 135.274,103 8.442,104 36,105 36,106 0.33,107 0.665,108 0.815,109 0.897,110 0.897,111 0.897,112 3.304,113 0.86,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 5,141 3,143 2,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 6,175 1,177 1,180 8,181 1,186 10,191 1,194 6,195 1,197 1,198 9,203 1,206 4,209 2,210 7,211 1,218 5,221 2,222 5,223 1,225 1,229 6,233 1,234 4,237 1,242 7,247 3,255 6,256 2,259 4,264 2,267 3,268 3,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.424,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.118,289 3.518,290 1.619,291 0.771,292 0.304,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 49.652,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.024,336 4.287,337 3.999,338 6.494,339 3.947,340 2.982,341 3.669,342 2.373,343 10.157,344 2.778,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.232,358 2.235,359 2.71,361 5.184,362 2.174,363 3.252,364 2.347,365 4.601,366 2.778,367 1.837,368 2.489,370 4.714,371 1.711,372 2.806,373 1.92,374 4.097,375 2.608,376 1.655,377 1.918,379 3.696,380 1.562,381 2.788,382 1.726,383 3.709,384 2.332,385 1.372,386 1.818,388 3.224,389 1.304,390 2.574,391 1.454,392 3.498,393 2.157,394 1.185,395 1.603,397 2.629,398 1.142,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.96,412 1,413 1.441,415 2.136,416 0.957,417 1.932,418 1,419 3.041,420 1.627,421 0.673,422 0.816,424 1.556,425 0.636,426 1.234,427 0.814,428 2.73,429 1.095,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.516,444 0.744,445 0.51,446 2.288,447 0.319,448 -0.658,449 -0.876,451 -1.549,452 -0.641,453 0.625,454 0.504,455 2,456 0.185,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31,467 1.192,468 15,469 0.577,470 16,471 0.615,472 20.078,473 0.772,474 29.843,475 0.711,476 26.283,477 1.011,478 6.592,479 0.254,480 5.784,481 0.222,482 0.132,483 0.043,484 0.216,485 3,487 0.602,488 0.944,489 0.633,490 1.098,491 0.638,492 0.964,493 0.501,494 0.839,495 0.731,496 1.1,497 0.384,498 1.064,499 0.774,500 0.916,501 0.835,502 1.017,503 0.665,504 0.981,505 1.172,506 1.012,507 1.028,508 0.913,509 1.046,510 0.888,511 1.18,512 0.997,513 1.023,514 0.947,515 0.952,516 0.921,517 0.825,518 0.851,519 1.031,520 1.004,521 0.81,522 1.098,523 0.514,524 1.012,525 0.818,526 1.116,527 0.517,528 1.133,529 0.927,530 1.106,531 1.042,532 1.095,533 0.999,534 1.115,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 32075,547 1.943,548 38.1,549 2,550 7,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.773,570 4.622,571 5.089,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 0.01,604 0.014,605 0.014,606 0.008,607 -0.074,608 0.002,609 0.338,610 0.205,611 0.083,612 -0.039,613 0.424,614 -0.093,615 -0.074,616 -0.155,617 0.061,618 -0.037,619 -0.019,620 0.044,621 -0.215,622 -0.07,623 -0.047,624 0.042,625 -0.159,626 0.083,627 -0.223,628 -0.099,629 -0.105,630 0.015,631 -0.156,632 0.014,633 0.049,634 0.06,635 -0.134,636 -0.034,637 -0.031,638 -0.147,639 0.241,640 -0.14,641 0.111,642 -0.127,643 0.159,644 -0.102,645 -0.01,646 -0.043,647 -0.022,648 -0.111,649 -0.041,650 -0.087,651 5.727,652 4.949,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.435,874 2.101,875 1.321,876 0.908,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.026,893 4.61,894 8.542,895 17.097,897 13.211,899 3.042,900 79.083,903 1,904 176.567,905 98.655,906 52.726,908 79.047,909 44.88,911 98.655,912 255.614,913 97.606,915 12.196,916 47.381,917 128.363,918 103.151,920 153.024,921 7.76,922 176.567,923 151.381,924 123.927,927 153.024,928 147.47,931 57.45,932 60.605,933 33.326,935 221.447,936 131.773,937 98.655,940 184.326,941 25.419,942 65.476,944 176.653,945 176.567,946 176.653,947 98.655,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.653,973 9.043,974 7.34,978 -0.13,980 42.683,981 451.875,982 35,987 10.45,990 3.938,991 -0.717,994 43.894,995 48.464,996 0.348,997 0.7,998 0.857,999 0.944,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.188,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.674,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.017,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.476,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.207,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.448,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.368,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.516,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.525,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.635,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.686,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.782,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.854,1128 7498,1129 15882,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.77,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.356,1141 5.384,1142 6.46,1143 6.943,1144 5.234,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.024,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.384,1160 3.991,1161 4.019,1162 3.955,1163 3.912,1164 8.513,1165 3.916,1166 3.792,1167 3.837,1168 3.75,1169 3.661,1170 7.999,1171 3.673,1172 3.727,1173 3.774,1174 3.601,1175 3.568,1176 7.999,1177 3.563,1178 3.427,1179 3.457,1180 3.389,1181 3.148,1182 7.474,1183 3.186,1184 3.328,1185 3.368,1186 3.283,1187 3.059,1188 6.351,1189 3.099,1190 3.124,1191 3.175,1192 3.055,1193 2.9,1194 5.087,1195 2.923,1196 2.865,1197 2.915,1198 2.696,1199 2.608,1200 4.878,1201 2.602,1202 2.772,1203 2.854,1204 2.627,1205 2.546,1206 4.624,1207 2.582,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.2,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.024,1226 1.944,1227 1.922,1228 2.027,1229 2.042,1230 1.276,1231 2.035,1232 1.74,1233 1.701,1234 1.948,1235 1.904,1236 1.141,1237 1.914,1238 1.702,1239 1.651,1240 1.84,1241 1.887,1242 0.869,1243 1.878,1244 1.302,1245 1.264,1246 1.553,1247 1.607,1248 0.77,1249 1.575,1250 1.147,1251 1.112,1252 1.238,1253 1.453,1254 0.306,1255 1.365,1256 1.018,1257 0.968,1258 1.202,1259 1.293,1260 0.25,1261 1.25,1262 0.766,1263 0.71,1264 1.086,1265 1.11,1266 0.208,1267 1.106,1268 0.758,1269 0.693,1270 1.048,1271 0.989,1272 0.073,1273 1.014,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.847,1289 8.574,1290 1.039,1292 5.178,1296 -4.477,1300 27.573,1301 78.726,1302 158.461,1303 194.113,1304 213.722,1305 213.722,1306 213.722,1307 81.037,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.287,1332 7.561,1333 11.575,1334 7.497,1335 6.186,1336 11.165,1337 7.742,1338 11.437,1339 0.318,1340 0.148,1341 9.479,1342 5.334,1343 7.869,1344 0.192,1345 0.082,1346 6.907,1347 3.353,1348 6.108,1349 0.125,1350 0.043,1351 5.575,1352 2.099,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.323,1358 0.42,1359 80.115,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 154.82,1366 537.27,1367 680.24,1368 494,1369 140,1370 462.629,1371 161.203,1372 441.369,1373 647.6,1374 412,1375 7.796} {0 CHEMBL134365,1 1.615,2 14.063,3 5.832,4 34.009,5 127.225,6 7.402,7 0.364,8 4.221,9 4.334,10 3.888,11 3.793,12 5.239,13 3.717,14 4.795,15 4.972,16 4.173,17 4.194,18 5.995,19 4.083,20 5.128,21 5.346,22 4.217,23 4.371,24 6.135,25 4.214,26 5.299,27 5.561,28 4.048,29 4.336,30 6.284,31 4.163,32 5.184,33 5.446,34 4.054,35 4.303,36 6.051,37 4.123,38 5.242,39 5.515,40 4.067,41 4.308,42 6.18,43 4.127,44 5.203,45 5.478,46 3.948,47 4.283,48 6.049,49 4.094,50 5.167,51 5.438,52 4.015,53 4.256,54 6.075,55 4.082,56 0.093,57 0.894,58 17.329,59 6.886,60 21.247,61 8.761,62 0.413,63 1.427,64 29.496,65 11.744,66 88.785,67 15.372,68 0.254,69 1.83,70 46.231,71 16.592,72 68.778,73 21.388,74 0.792,75 1.938,76 57.073,77 17.518,78 153.917,79 22.842,80 0.461,81 1.824,82 49.52,83 16.395,84 93.244,85 21.925,86 0.708,87 1.856,88 52.085,89 16.909,90 127.626,91 23.058,92 0.509,93 1.821,94 48.047,95 16.297,96 102.127,97 22.246,98 0.509,99 1.776,100 50.065,101 15.885,102 96.612,103 21.148,104 53,105 45,106 0.259,107 0.559,108 0.744,109 0.85,110 0.859,111 0.859,112 3.501,113 1.167,114 -4.6,115 -4.52,116 -4.25,118 36.9,119 2,120 7,121 1,122 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 18,181 3,186 9,191 6,194 17,195 1,198 8,203 4,206 14,207 2,210 5,215 3,218 14,219 2,222 7,227 5,229 14,230 2,234 6,239 4,242 11,243 1,247 7,252 4,253 1,255 10,256 1,259 8,260 1,262 1,263 1,264 2,267 10,268 1,270 2172,271 20.584,272 20.584,273 20.584,274 20.584,275 20.584,276 18.625,277 15.263,278 12.314,279 20.961,280 16.25,281 16.25,282 16.25,283 16.25,284 16.25,285 13.335,286 11.074,287 5.829,288 16.921,289 4.408,290 2.539,291 1.385,292 0.731,293 0.669,294 0.669,295 4.164,297 1,300 1,301 919,302 5.339,306 278.65,313 1.82,314 43.724,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 69.333,326 450,327 4.844,328 4.683,329 7.293,330 4.352,331 3.374,332 4.697,333 2.341,334 12.404,335 3.348,336 4.422,337 3.982,338 7.224,339 4.291,340 3.351,341 3.534,343 12.052,344 3.062,345 3.897,346 2.898,347 5.365,348 3.525,349 2.534,350 3.444,352 6.996,353 2.513,354 3.835,355 2.732,356 5.309,357 3.371,358 2.402,359 3.393,361 6.774,362 2.367,363 3.416,364 2.662,365 5.149,366 3.312,367 2.372,368 2.432,370 6.32,371 2.158,372 3.085,373 2.267,374 4.733,375 2.688,376 1.732,377 2.292,379 4.77,380 1.643,381 2.937,382 1.961,383 4.266,384 2.537,385 1.572,386 2.101,388 3.374,389 1.5,390 2.771,391 1.644,392 3.742,393 2.482,394 1.509,395 1.719,397 3.289,398 1.417,399 2.628,400 1.575,401 3.656,402 2.357,403 1.351,404 1.611,406 3.105,407 1.331,408 2.5,409 1.129,410 3.414,411 2.056,412 1.069,413 1.5,415 2.323,416 1.053,417 2.5,418 1,419 3.354,420 2,421 1,422 1.5,424 2.275,425 1,426 2.181,427 1,428 3.247,429 1.956,430 1,431 1.157,433 2.136,434 0.953,435 1.801,436 0.898,437 3.206,438 1.699,439 0.727,440 0.762,442 1.603,443 0.704,444 1.12,445 0.566,446 2.893,447 0.959,448 -0.026,449 -0.028,451 -0.06,452 -0.025,453 1.102,454 0.455,455 2.708,456 0.867,457 -0.109,458 -0.114,460 -0.273,461 -0.1,462 15.681,463 0.49,464 0.987,465 0.031,466 35,467 1.094,468 16.5,469 0.516,470 18.5,471 0.578,472 35.97,473 1.124,474 37.119,475 0.571,476 26.094,477 0.815,478 6.004,479 0.188,480 9.095,481 0.284,482 0.194,483 0.085,484 0.159,487 0.582,488 1.349,489 0.798,490 1.231,491 0.678,492 1.072,493 0.459,494 1.139,495 0.791,496 1.029,497 0.424,498 1.053,499 0.77,500 1.269,501 1.027,502 1.242,503 0.715,504 1.179,505 1.311,506 0.867,507 0.98,508 0.876,509 1.335,510 0.926,511 0.805,512 1.01,513 0.726,514 0.936,515 0.874,516 1.012,517 0.74,518 0.921,519 0.736,520 0.899,521 0.806,522 0.952,523 0.834,524 0.931,525 0.761,526 0.86,527 0.85,528 0.955,529 0.906,530 0.951,531 0.902,532 0.928,533 0.875,534 0.905,535 8.5,536 0.26,537 4.222,538 1.813,539 1.213,540 1.028,541 0.488,542 0.453,543 0.419,544 0.386,545 14641,546 44928,547 1.912,548 50.8,549 19,550 8,552 2,553 2,555 2,558 1.745,559 1.761,560 3.733,561 0.208,567 104.95,568 1.615,569 3.483,570 4.637,571 5.291,572 5.353,573 5.353,574 3.14,575 4.289,576 4.973,577 3.935,578 1951.88,579 8.699,580 31159.5,585 391.454,586 1.615,587 4.896,588 0.258,589 0.007,590 0.094,591 0.041,592 0.033,593 0.029,594 0.014,595 0.013,596 0.011,597 0.01,598 0.51,599 0.17,600 0.75,601 1.105,602 172.553,603 0.049,604 -0.06,605 0.13,606 -0.024,607 -0.093,608 0.026,609 0.265,610 0.01,611 0.054,612 0.013,613 0.285,614 -0.019,615 -0.014,616 -0.223,617 -0.07,618 -0.186,619 0.041,620 -0.152,621 -0.18,622 0.065,623 -0.072,624 0.059,625 -0.14,626 0.02,627 -0.032,628 -0.044,629 0.042,630 -0.012,631 -0.054,632 -0.033,633 0.085,634 -0.003,635 0.078,636 0.003,637 0.031,638 0.022,639 -0.048,640 0.003,641 0.021,642 0.037,643 -0.07,644 0.017,645 -0.051,646 0.011,647 0.016,648 0.037,649 -0.051,650 0.071,651 4.472,652 5.355,653 0.375,654 35.391,655 1.001,656 1.128,657 3.367,658 11.336,659 0.654,660 3.526,661 3.829,662 3.932,663 3.97,664 4.094,665 4.025,666 3.912,667 3.912,668 3.951,669 4.025,670 8.326,671 0.605,672 481.11,673 3.526,674 5.056,675 5.849,676 6.696,677 7.509,678 8.357,679 9.177,680 10.026,681 10.849,682 11.7,683 3.1,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 65,726 15,727 1,728 33,730 66,731 24,733 11,734 2,735 4,739 2,740 2,741 1,745 2,746 1,751 7,753 12,754 12,755 1,756 3,760 1,761 3,765 1,772 33,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 2,837 1,840 32,844 1,845 1,846 8,847 1,850 1,852 1,861 1,862 6.2,864 1,865 3,869 18.167,870 11.71,871 7.083,872 4.032,874 1.614,875 1.238,876 0.906,877 10.306,878 8.387,879 3.761,880 4.29,881 4.625,882 4.942,883 5.355,884 5.286,885 5.182,886 4.868,887 4.992,888 5.179,889 1,890 44,891 12.131,893 5.274,894 7.962,895 22.751,897 18.645,899 2.462,900 78.778,904 364.904,905 127.404,906 33.191,907 39.149,908 112.141,910 5.807,911 121.597,912 516.194,913 33.191,914 17.65,915 19.847,916 79.07,917 153.379,918 26.332,920 341.362,921 39.149,922 364.904,923 154.787,924 112.141,925 44.956,927 341.362,928 135.683,931 71.998,932 66.004,933 61.742,935 364.904,936 145.332,937 166.553,939 5.807,940 364.904,941 28.994,942 92.603,943 16.405,944 168.075,945 364.904,946 145.332,947 166.553,949 0.583,950 0.317,951 0.136,952 0.073,953 17,954 9,955 0.212,956 14,958 1,959 4.324,960 255.082,962 12,963 152,967 1,968 26.473,969 12.458,970 9.323,972 145.332,973 13.661,974 4.141,978 1.863,980 59.088,981 676.789,982 42,986 -3.555,987 36.31,991 -0.787,994 65.051,995 73.341,996 0.268,997 0.578,998 0.77,999 0.879,1000 0.889,1001 0.889,1002 4.997,1003 1.509,1004 5.883,1005 3.374,1006 4.511,1007 4.977,1008 2.258,1009 6.701,1010 4.435,1011 6.216,1012 1.351,1013 7.473,1014 3.289,1015 4.369,1016 5.047,1017 2.243,1018 8.082,1019 4.219,1020 7.554,1021 1.069,1022 9.195,1023 3.105,1024 6.205,1025 7.19,1026 3.628,1027 11.014,1028 6.051,1029 8.937,1030 1,1031 11.002,1032 2.323,1033 6.878,1034 8.088,1035 4.112,1036 13.198,1037 6.655,1038 10.361,1039 1,1040 12.866,1041 2.275,1042 8.28,1043 9.818,1044 5.201,1045 15.808,1046 8.045,1047 11.814,1048 0.727,1049 14.766,1050 2.136,1051 9.279,1052 11.065,1053 5.889,1054 18.221,1055 8.988,1056 13.29,1057 -0.026,1058 16.691,1059 1.603,1060 10.543,1061 12.665,1062 6.849,1063 20.755,1064 10.231,1065 3.374,1066 -0.109,1067 18.633,1068 -0.06,1069 11.671,1070 14.068,1071 7.625,1072 23.234,1073 11.314,1074 3.351,1075 12.404,1076 20.587,1077 -0.273,1078 12.894,1079 15.625,1080 8.526,1081 25.748,1082 12.511,1083 2.534,1084 12.052,1085 22.549,1086 4.697,1087 14.071,1088 17.102,1089 9.342,1090 28.245,1091 13.653,1092 2.402,1093 6.996,1094 24.517,1095 3.534,1096 15.283,1097 18.646,1098 10.216,1099 30.754,1100 14.839,1101 2.372,1102 6.774,1103 26.489,1104 3.444,1105 16.481,1106 20.159,1107 11.051,1108 33.258,1109 16.007,1110 1.732,1111 6.32,1112 28.464,1113 3.393,1114 17.691,1115 21.701,1116 11.912,1117 35.765,1118 17.192,1119 1.572,1120 4.77,1121 30.442,1122 2.432,1123 18.897,1124 23.231,1125 12.755,1126 38.271,1127 18.373,1128 14667,1129 25978,1130 20.742,1131 42.517,1132 48.546,1133 50.243,1134 49.339,1135 48.2,1136 47.985,1137 60.284,1138 4.682,1139 134.842,1140 46.099,1141 5.812,1142 6.683,1143 7.095,1144 5.397,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.348,1150 20.207,1151 1.471,1152 1.523,1153 1.495,1154 1.461,1155 1.454,1156 1.827,1157 0.142,1158 4.086,1159 1.397,1160 4.076,1161 4.06,1162 4.736,1163 4.064,1164 7.717,1165 3.975,1166 3.932,1167 3.97,1168 3.926,1169 3.838,1170 7.473,1171 3.83,1172 3.84,1173 3.883,1174 3.844,1175 3.736,1176 6.999,1177 3.732,1178 3.7,1179 3.743,1180 3.749,1181 3.598,1182 6.351,1183 3.557,1184 3.61,1185 3.638,1186 3.521,1187 3.495,1188 4.93,1189 3.462,1190 3.481,1191 3.518,1192 3.345,1193 3.355,1194 4.893,1195 3.324,1196 3.229,1197 3.291,1198 3.163,1199 3.074,1200 4.296,1201 3.053,1202 3.035,1203 3.048,1204 3.065,1205 2.762,1206 4.256,1207 2.74,1208 0.147,1209 0.142,1210 0.221,1211 0.132,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.352,1220 0.101,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.348,1226 1.955,1227 1.965,1228 2.1,1229 2.044,1230 1.49,1231 2.076,1232 1.908,1233 1.866,1234 1.991,1235 2.013,1236 1.258,1237 2.046,1238 1.833,1239 1.792,1240 1.956,1241 1.963,1242 1.204,1243 1.974,1244 1.678,1245 1.628,1246 1.912,1247 1.849,1248 1.14,1249 1.873,1250 1.557,1251 1.518,1252 1.791,1253 1.737,1254 0.978,1255 1.763,1256 1.415,1257 1.405,1258 1.588,1259 1.586,1260 0.812,1261 1.628,1262 1.219,1263 1.163,1264 1.417,1265 1.406,1266 0.63,1267 1.452,1268 0.948,1269 0.867,1270 1.37,1271 1.276,1272 0.469,1273 1.308,1274 4.205,1276 5.509,1278 6.991,1280 8.548,1282 10.144,1284 3.535,1285 5.818,1289 9.525,1290 6.153,1291 2.628,1294 0.269,1296 -0.783,1300 39.345,1301 104.95,1302 226.392,1303 301.415,1304 343.944,1305 347.944,1306 347.944,1307 125.716,1308 6.773,1309 96.36,1310 104.74,1311 12,1312 12.263,1313 4,1314 3.322,1315 76.907,1316 156,1317 162,1318 0.224,1319 254.745,1320 449.64,1321 613.339,1322 7779,1323 1.5,1324 23.615,1325 0.738,1326 0.635,1327 24.365,1328 20.331,1329 15.099,1330 0.458,1331 0.389,1332 11.043,1333 13.613,1334 10.532,1335 8.826,1336 16.209,1337 12.837,1338 14.193,1339 0.315,1340 0.246,1341 15.925,1342 11.064,1343 10.382,1344 0.208,1345 0.147,1346 11.778,1347 7.363,1348 6.935,1349 0.133,1350 0.095,1351 7.968,1352 4.96,1353 5.243,1354 0.089,1355 0.061,1356 6.203,1357 3.574,1358 0.363,1359 105.062,1360 0.22,1361 30.709,1362 0.581,1363 156,1364 464.398,1365 219.911,1366 499.115,1367 640.39,1368 454,1369 173,1370 394.182,1371 237.303,1372 448.283,1373 637.12,1374 416,1375 7.699} {0 CHEMBL134580,1 1.731,2 13.483,3 3.67,4 13.468,5 113.187,6 7.755,7 0.367,8 4.109,9 4.22,10 3.827,11 3.648,12 5.142,13 3.586,14 4.68,15 4.856,16 4.08,17 4.034,18 5.935,19 3.932,20 4.982,21 5.219,22 4.028,23 4.169,24 5.947,25 4.003,26 5.044,27 5.297,28 3.915,29 4.133,30 6.014,31 3.966,32 5.021,33 5.286,34 3.938,35 4.096,36 5.925,37 3.929,38 5.018,39 5.279,40 3.952,41 4.062,42 6.041,43 3.912,44 4.969,45 5.232,46 3.817,47 4.031,48 5.89,49 3.871,50 4.923,51 5.177,52 3.842,53 3.994,54 5.916,55 3.834,56 0.118,57 0.82,58 14.947,59 5.73,60 22.346,61 7.229,62 0.501,63 1.276,64 25.788,65 9.704,66 84.14,67 12.659,68 0.489,69 1.502,70 42.562,71 13.807,72 82.376,73 17.722,74 0.644,75 1.525,76 45.224,77 13.757,78 109.115,79 18.013,80 0.581,81 1.482,82 44.09,83 13.3,84 98.101,85 17.773,86 0.797,87 1.44,88 43.161,89 12.58,90 124.445,91 17.132,92 0.612,93 1.407,94 39.146,95 11.971,96 99.039,97 16.309,98 0.683,99 1.35,100 41.124,101 11.765,102 93.825,103 15.448,104 29,105 39,106 0.286,107 0.593,108 0.758,109 0.859,110 0.882,111 0.882,112 3.407,113 1.165,114 -3.87,115 -3.83,116 -3.64,118 35.1,120 7,121 1,124 2,140 4,142 2,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 2,172 2,175 3,177 2,180 11,181 1,186 6,191 4,194 11,195 1,198 9,203 4,206 5,207 2,210 7,215 3,218 4,219 2,222 9,227 5,229 4,230 1,234 6,235 1,239 3,242 4,246 1,247 6,250 1,253 1,255 5,259 5,260 1,262 2,263 1,267 7,270 1584,271 19.059,272 19.059,273 19.059,274 19.059,275 19.059,276 17.192,277 13.943,278 11.694,279 19.556,280 14.811,281 14.811,282 14.811,283 14.811,284 14.811,285 12.007,286 6.348,287 5.588,288 15.675,289 4.102,290 2.243,291 1.246,292 0.632,293 0.491,294 0.491,295 4.071,297 1,299 1,300 1,301 802,302 4.848,305 108.171,306 123.583,313 1.914,314 40.363,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63.833,326 391,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.921,337 3.597,338 5.376,339 3.542,340 2.572,341 3.479,343 7.062,344 2.528,345 3.835,346 2.898,347 5.32,348 3.433,349 2.487,350 3.393,352 6.913,353 2.313,354 3.612,355 2.655,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.462,365 4.733,366 3.14,367 2.135,368 2.426,370 5.057,371 2.119,372 3.085,373 1.966,374 4.611,375 2.687,376 1.731,377 2.292,379 4.77,380 1.639,381 2.723,382 1.618,383 3.741,384 2.507,385 1.541,386 1.776,388 3.341,389 1.429,390 2.633,391 1.476,392 3.596,393 2.364,394 1.405,395 1.634,397 2.985,398 1.342,399 2.5,400 1.152,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.143,409 1.054,410 3.296,411 1.921,412 0.967,413 1.103,415 2.104,416 0.919,417 2.118,418 1,419 3.167,420 1.81,421 0.832,422 0.927,424 1.798,425 0.808,426 1.921,427 0.777,428 3,429 1.554,430 0.618,431 0.874,433 1.372,434 0.577,435 1.52,436 0.618,437 2.852,438 1.381,439 0.395,440 0.422,442 0.866,443 0.386,444 1.12,445 0.56,446 2.645,447 0.878,448 -0.086,449 -0.091,451 -0.199,452 -0.078,453 1,454 0.346,455 2.503,456 0.595,457 -0.232,458 -0.288,460 -0.512,461 -0.162,462 14.081,463 0.486,464 0.721,465 0.025,466 32.25,467 1.112,468 14.5,469 0.5,470 17.75,471 0.612,472 28.494,473 0.983,474 33.919,475 0.595,476 23.217,477 0.801,478 5.754,479 0.198,480 8.111,481 0.28,482 0.145,483 0.059,484 0.17,487 0.619,488 1.52,489 0.769,490 1.28,491 0.662,492 1.074,493 0.532,494 1.17,495 0.828,496 1.056,497 0.424,498 1.105,499 0.845,500 1.073,501 1.03,502 1.106,503 0.784,504 1.067,505 1,506 0.982,507 0.984,508 1.008,509 1.006,510 1.015,511 0.842,512 0.976,513 0.691,514 0.889,515 0.915,516 0.958,517 0.869,518 0.919,519 0.77,520 0.891,521 0.909,522 0.945,523 0.986,524 0.932,525 0.804,526 0.84,527 0.968,528 0.947,529 1.018,530 0.951,531 1.033,532 0.988,533 1.017,534 0.98,535 6.5,536 0.172,537 3.111,538 1.347,539 0.867,540 0.795,541 0.331,542 0.281,543 0.317,544 0.226,545 11773,546 39294,547 1.949,548 49.1,549 9,550 8,551 1,552 2,553 2,554 2,555 4,558 1.717,559 1.822,560 3.706,561 0.296,563 1,567 98.675,568 1.731,569 3.59,570 4.587,571 5.201,572 5.342,573 5.342,574 3.083,575 4.375,576 4.831,577 3.906,578 1585.86,579 8.402,580 23953.2,582 1,584 1,585 332.475,586 1.469,587 4.777,588 0.217,589 0.006,590 0.08,591 0.038,592 0.027,593 0.026,594 0.011,595 0.01,596 0.011,597 0.008,598 0.433,599 0.33,600 0.88,601 1.107,602 152.615,603 0.032,604 -0.188,605 0.136,606 -0.07,607 -0.081,608 0.003,609 0.23,610 0.01,611 0.003,612 -0.034,613 0.283,614 -0.098,615 -0.062,616 -0.07,617 -0.049,618 -0.052,619 -0.004,620 -0.045,621 -0.11,622 -0.028,623 -0.071,624 -0.028,625 -0.066,626 -0.028,627 -0.036,628 -0.041,629 0.087,630 0.027,631 -0.059,632 0.021,633 0.043,634 -0.003,635 0.068,636 0.003,637 0.009,638 0.022,639 -0.108,640 0.004,641 -0.002,642 0.048,643 -0.108,644 0.015,645 -0.066,646 0.023,647 -0.069,648 -0.007,649 -0.099,650 -0.012,651 4.45,652 5.245,653 0.379,654 32.366,655 1.009,656 1.133,657 2.643,658 6.986,659 0.653,660 3.434,661 3.689,662 3.784,663 3.871,664 3.912,665 3.912,666 3.784,667 3.738,668 3.784,669 3.738,670 8.133,671 0.61,672 442.03,673 3.434,674 4.934,675 5.714,676 6.541,677 7.34,678 8.171,679 8.979,680 9.813,681 10.625,682 11.462,683 5.3,685 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,723 1,724 57,726 14,727 1,728 30,730 58,731 20,733 9,734 2,735 4,739 2,740 2,741 1,751 7,753 10,754 10,755 1,756 3,760 1,761 3,765 1,769 1,772 28,773 6,774 2,775 9,776 2,778 1,779 3,784 1,785 4,801 1,802 1,818 1,830 1,832 2,834 1,837 1,840 29,844 1,845 1,846 9,847 1,850 1,861 1,862 7,864 1,865 3,869 15.917,870 9.576,871 6.542,872 3.55,874 1.46,875 1.222,876 0.92,877 9.985,878 8.036,879 3.676,880 4.186,881 4.507,882 4.875,883 5.089,884 5.184,885 5.069,886 4.672,887 4.796,888 4.817,889 0.889,890 35,891 10.972,893 4.741,894 8.03,895 20.485,897 16.605,899 2.53,900 73.361,903 1,904 306.049,905 98.34,906 35.09,907 39.149,908 112.141,910 5.807,911 92.533,912 457.339,913 35.09,915 21.953,916 69.165,917 161.997,918 15.998,919 11.771,920 270.735,921 39.149,922 306.049,923 127.622,924 112.141,925 44.956,927 258.964,928 159.226,931 57.923,932 52.914,933 61.742,935 306.049,936 147.231,937 137.489,939 5.807,940 306.049,941 27.914,942 66.518,943 16.405,944 168.075,945 306.049,946 147.231,947 137.489,949 0.568,950 0.298,951 0.14,952 0.071,953 14,954 7,955 0.241,956 14,958 1,959 4.206,960 216.695,962 11,963 134.881,967 1,968 23.718,969 12.209,970 9.198,972 145.332,973 11.491,974 4.018,978 0.685,979 2.014,980 59.088,981 590.768,982 38.5,986 -3.534,987 35.399,991 -0.777,994 57.502,995 64.594,996 0.297,997 0.615,998 0.786,999 0.892,1000 0.916,1001 0.916,1002 4.881,1003 1.405,1004 5.694,1005 3.341,1006 4.369,1007 4.871,1008 2.258,1009 6.435,1010 4.257,1011 6.069,1012 1,1013 7.222,1014 2.985,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.746,1020 7.381,1021 0.967,1022 8.875,1023 2.275,1024 5.948,1025 7.074,1026 3.628,1027 10.54,1028 5.697,1029 8.743,1030 0.832,1031 10.616,1032 2.104,1033 6.447,1034 7.983,1035 4.112,1036 12.637,1037 6.021,1038 10.15,1039 0.618,1040 12.42,1041 1.798,1042 7.883,1043 9.713,1044 5.201,1045 15.247,1046 7.451,1047 11.59,1048 0.395,1049 14.271,1050 1.372,1051 8.775,1052 10.994,1053 5.889,1054 17.645,1055 8.171,1056 13.057,1057 -0.086,1058 16.159,1059 0.866,1060 10.041,1061 12.587,1062 6.849,1063 20.185,1064 9.396,1065 3.374,1066 -0.232,1067 18.073,1068 -0.199,1069 11.111,1070 14.021,1071 7.625,1072 22.668,1073 10.314,1074 2.572,1075 12.404,1076 20.007,1077 -0.512,1078 12.327,1079 15.575,1080 8.526,1081 25.193,1082 11.46,1083 2.487,1084 7.062,1085 21.955,1086 4.697,1087 13.477,1088 17.072,1089 9.342,1090 27.7,1091 12.476,1092 2.401,1093 6.913,1094 23.914,1095 3.479,1096 14.682,1097 18.616,1098 10.216,1099 30.22,1100 13.594,1101 2.135,1102 6.32,1103 25.881,1104 3.393,1105 15.867,1106 20.141,1107 11.051,1108 32.735,1109 14.66,1110 1.731,1111 5.057,1112 27.853,1113 2.74,1114 17.073,1115 21.684,1116 11.912,1117 35.254,1118 15.77,1119 1.541,1120 4.77,1121 29.83,1122 2.426,1123 18.274,1124 23.22,1125 12.755,1126 37.77,1127 16.86,1128 11746,1129 21692,1130 19.356,1131 37.239,1132 43.125,1133 44.474,1134 43.586,1135 43.181,1136 42.918,1137 54.525,1138 4.682,1139 114.535,1140 40.561,1141 5.811,1142 6.683,1143 7.041,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.272,1151 1.438,1152 1.482,1153 1.453,1154 1.439,1155 1.431,1156 1.817,1157 0.156,1158 3.818,1159 1.352,1160 4.075,1161 4.061,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.945,1167 4.004,1168 3.926,1169 3.779,1170 7.474,1171 3.783,1172 3.813,1173 3.868,1174 3.871,1175 3.66,1176 6.999,1177 3.668,1178 3.676,1179 3.708,1180 3.69,1181 3.584,1182 6.351,1183 3.529,1184 3.535,1185 3.55,1186 3.445,1187 3.39,1188 4.956,1189 3.361,1190 3.456,1191 3.502,1192 3.322,1193 3.285,1194 4.925,1195 3.281,1196 3.197,1197 3.252,1198 3.16,1199 3.001,1200 4.279,1201 2.993,1202 2.936,1203 3.007,1204 3.028,1205 2.735,1206 4.225,1207 2.715,1208 0.161,1209 0.156,1210 0.243,1211 0.143,1212 0.112,1213 4.844,1214 0.157,1215 4.683,1216 0.078,1217 7.293,1218 0.413,1219 4.291,1220 0.102,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.079,1229 2.031,1230 1.477,1231 2.071,1232 1.858,1233 1.805,1234 1.955,1235 1.995,1236 1.245,1237 2.024,1238 1.664,1239 1.604,1240 1.895,1241 1.863,1242 1.147,1243 1.875,1244 1.587,1245 1.539,1246 1.806,1247 1.793,1248 1.093,1249 1.803,1250 1.423,1251 1.426,1252 1.591,1253 1.63,1254 0.837,1255 1.643,1256 1.339,1257 1.29,1258 1.507,1259 1.532,1260 0.688,1261 1.55,1262 1.268,1263 1.207,1264 1.421,1265 1.508,1266 0.519,1267 1.504,1268 1.088,1269 1.017,1270 1.223,1271 1.323,1272 0.425,1273 1.352,1274 4.111,1276 5.38,1277 2.398,1278 6.81,1279 4.443,1280 8.318,1281 6.26,1282 9.873,1285 5.791,1289 8.965,1290 6.382,1291 2.605,1294 0.322,1300 34.786,1301 98.675,1302 204.603,1303 261.455,1304 296.475,1305 304.475,1306 304.475,1307 97.093,1308 6.576,1309 101.29,1310 109.67,1311 11,1312 12.036,1313 3.907,1314 3.248,1315 65.717,1316 142,1317 130,1318 0.215,1319 226.098,1320 394.08,1321 543.439,1322 6127,1323 1.8,1324 21.115,1325 0.728,1326 0.618,1327 21.865,1328 17.908,1329 13.865,1330 0.462,1331 0.388,1332 9.833,1333 12.266,1334 9.504,1335 7.894,1336 14.975,1337 11.655,1338 12.463,1339 0.32,1340 0.238,1341 14.195,1342 9.292,1343 8.906,1344 0.207,1345 0.152,1346 10.302,1347 6.538,1348 6.432,1349 0.137,1350 0.094,1351 7.465,1352 4.404,1353 4.469,1354 0.091,1355 0.063,1356 5.429,1357 3.106,1358 0.352,1359 98.27,1360 0.227,1361 28.539,1362 0.551,1363 138,1364 454.043,1365 204.048,1366 482.855,1367 616.7,1368 440,1369 151,1370 375.999,1371 216.5,1372 423.702,1373 601.7,1374 395,1375 8.523} {0 CHEMBL134686,1 1.684,2 14.067,3 4.929,4 24.296,5 119.318,6 7.913,7 0.387,8 4.102,9 4.204,10 3.836,11 3.692,12 5.173,13 3.626,14 4.645,15 4.803,16 4.084,17 4.06,18 5.955,19 3.956,20 4.95,21 5.176,22 4.072,23 4.198,24 5.963,25 4.04,26 5.003,27 5.247,28 3.926,29 4.14,30 5.999,31 3.977,32 4.97,33 5.219,34 3.948,35 4.102,36 5.925,37 3.943,38 4.977,39 5.222,40 3.962,41 4.08,42 6.046,43 3.933,44 4.93,45 5.18,46 3.826,47 4.051,48 5.893,49 3.891,50 4.881,51 5.122,52 3.859,53 4.013,54 5.922,55 3.866,56 0.108,57 0.786,58 14.202,59 5.903,60 22.944,61 7.148,62 0.419,63 1.235,64 23.745,65 9.895,66 81.593,67 12.493,68 0.378,69 1.541,70 40.472,71 14.104,72 74.339,73 17.676,74 0.539,75 1.565,76 42.959,77 13.96,78 102.654,79 17.709,80 0.506,81 1.501,82 41.333,83 13.369,84 97.572,85 17.153,86 0.704,87 1.463,88 40.742,89 13.114,90 124.435,91 17.024,92 0.515,93 1.427,94 37.104,95 12.589,96 99.924,97 16.375,98 0.507,99 1.369,100 38.131,101 12.143,102 91.673,103 15.291,104 29,105 40,106 0.277,107 0.604,108 0.777,109 0.877,110 0.889,111 0.889,112 3.439,113 1.14,114 -4.1,115 -4.05,116 -3.83,118 38.6,120 6,121 1,124 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 7,191 4,194 15,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 7,227 5,229 10,230 2,234 6,239 4,242 9,243 1,247 7,252 2,253 1,255 8,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.639,277 15.611,278 12.194,279 20.143,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.091,286 7.219,287 5.838,288 15.983,289 4.149,290 2.157,291 1.101,292 0.491,293 0.421,294 0.421,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 40.393,317 1,318 0.67,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.76,325 65.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.437,334 12.404,335 3.062,336 3.898,337 3.476,338 5.37,339 3.558,340 2.562,341 3.444,343 7.047,344 2.552,345 3.835,346 2.898,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.751,355 2.745,356 5.149,357 3.313,358 2.401,359 2.979,361 6.32,362 2.159,363 3.392,364 2.649,365 4.733,366 3.141,367 2.135,368 2.441,370 5.057,371 2.121,372 3.085,373 1.969,374 4.611,375 2.688,376 1.732,377 2.292,379 4.77,380 1.642,381 2.937,382 1.644,383 3.745,384 2.537,385 1.572,386 2.102,388 3.356,389 1.497,390 2.67,391 1.609,392 3.665,393 2.474,394 1.504,395 1.657,397 3.199,398 1.412,399 2.5,400 1.176,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.082,408 2.5,409 1.1,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.385,418 1,419 3.247,420 1.956,421 1,422 1.247,424 2.136,425 0.953,426 2.119,427 1,428 3.237,429 1.815,430 0.838,431 0.981,433 1.81,434 0.813,435 1.711,436 0.752,437 2.861,438 1.413,439 0.42,440 0.532,442 0.924,443 0.414,444 1.12,445 0.564,446 2.693,447 0.947,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.085,454 0.372,455 2.543,456 0.637,457 -0.222,458 -0.274,460 -0.488,461 -0.15,462 14.681,463 0.489,464 0.721,465 0.024,466 35.5,467 1.183,468 18,469 0.6,470 17.5,471 0.583,472 27.593,473 0.92,474 33.919,475 0.595,476 26.596,477 0.887,478 6.594,479 0.22,480 7.771,481 0.259,482 0.139,483 0.057,484 0.17,487 0.585,488 1.299,489 0.761,490 1.186,491 0.675,492 1.004,493 0.482,494 1.193,495 0.829,496 1.078,497 0.424,498 1.117,499 0.771,500 1.109,501 1.025,502 1.116,503 0.708,504 1.059,505 0.977,506 1.007,507 1.011,508 1.029,509 0.979,510 1.03,511 0.897,512 0.976,513 0.73,514 0.905,515 0.983,516 0.982,517 0.874,518 0.936,519 0.795,520 0.926,521 0.956,522 0.979,523 0.977,524 0.941,525 0.816,526 0.869,527 1.004,528 0.969,529 1.078,530 0.96,531 0.992,532 0.964,533 1.043,534 0.962,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 43167,547 1.951,548 47.4,549 11,550 10,552 2,553 2,555 2,558 1.726,559 1.827,560 3.758,561 0.243,567 95.985,568 1.684,569 3.676,570 4.732,571 5.342,572 5.412,573 5.412,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.041,604 -0.063,605 0.129,606 -0.029,607 -0.095,608 0.028,609 0.257,610 -0.066,611 -0.003,612 -0.066,613 0.299,614 -0.124,615 -0.032,616 -0.101,617 -0.035,618 -0.066,619 0.023,620 -0.039,621 -0.103,622 -0.03,623 -0.083,624 -0.046,625 -0.07,626 -0.044,627 -0.057,628 -0.018,629 0.06,630 0.02,631 -0.088,632 -0.003,633 0.056,634 -0.009,635 0.053,636 -0.013,637 -0.005,638 -0.002,639 -0.096,640 -0.002,641 -0.004,642 0.04,643 -0.117,644 0.006,645 -0.119,646 0.01,647 -0.049,648 0.009,649 -0.099,650 0.015,651 4.467,652 5.258,653 0.4,654 34.133,655 1.007,656 1.124,657 2.874,658 8.261,659 0.671,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.627,672 451.03,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 57,726 16,727 1,728 31,730 58,731 22,733 11,734 2,735 4,736 3,739 2,740 2,741 1,751 6,753 14,754 8,755 1,756 4,760 1,761 3,763 2,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,822 2,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 7,847 1,850 1,861 1,862 7,864 1,865 3,869 16.417,870 9.626,871 6.792,872 3.483,874 1.782,875 1.267,876 0.925,877 10.185,878 8.453,879 3.738,880 4.248,881 4.605,882 4.963,883 5.383,884 5.316,885 5.226,886 4.925,887 5.109,888 5.275,889 1,890 38,891 11.32,893 4.871,894 8.034,895 21.041,897 16.91,899 2.534,900 76.028,903 1,904 294.278,905 126.172,906 33.191,907 39.149,908 112.141,910 5.807,911 120.365,912 445.567,913 33.191,915 17.313,916 98.022,917 153.379,918 26.332,920 270.735,921 39.149,922 294.278,923 153.555,924 112.141,925 44.956,927 270.735,928 135.683,931 51.813,932 66.004,933 80.694,935 294.278,936 145.332,937 165.321,939 5.807,940 294.278,941 26.46,942 93.905,943 16.405,944 168.075,945 294.278,946 145.332,947 165.321,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.224,956 13,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.233,969 12.61,970 9.555,972 145.332,973 13.545,974 4.104,978 1.831,980 59.088,981 604.93,982 41,986 -3.55,987 35.378,989 2.932,991 -0.956,994 57.4,995 64.096,996 0.289,997 0.63,998 0.811,999 0.916,1000 0.928,1001 0.928,1002 4.934,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.934,1008 1.635,1009 6.447,1010 4.309,1011 6.126,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1018 7.591,1019 3.783,1020 7.433,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.135,1026 2.253,1027 10.542,1028 5.764,1029 8.788,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.967,1036 12.635,1037 6.059,1038 10.188,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.754,1044 2.922,1045 15.247,1046 7.524,1047 11.622,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.981,1054 17.644,1055 8.217,1056 13.084,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.608,1062 3.619,1063 20.185,1064 9.464,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.013,1072 22.668,1073 10.361,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.584,1080 4.33,1081 25.192,1082 11.517,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.067,1090 27.7,1091 12.519,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.62,1098 5.047,1099 30.22,1100 13.639,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.138,1108 32.735,1109 14.695,1110 1.732,1111 5.057,1112 27.853,1113 2.979,1114 17.072,1115 21.685,1116 5.769,1117 35.253,1118 15.804,1119 1.572,1120 4.77,1121 29.829,1122 2.441,1123 18.272,1124 23.218,1126 37.77,1127 16.888,1128 12899,1129 23812,1130 20.049,1131 38.233,1132 44.867,1133 46.053,1134 45.114,1135 44.489,1136 44.219,1137 57.531,1138 2.873,1139 117.127,1140 42.336,1141 5.808,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 2.873,1148 19.553,1149 5.062,1150 16.666,1151 1.447,1152 1.486,1153 1.455,1154 1.435,1155 1.426,1156 1.856,1157 0.093,1158 3.778,1159 1.366,1160 4.075,1161 4.056,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.919,1167 3.959,1168 3.926,1169 3.826,1170 7.476,1171 3.82,1172 3.805,1173 3.85,1174 3.837,1175 3.703,1176 6.999,1177 3.696,1178 3.675,1179 3.703,1180 3.703,1181 3.587,1182 6.351,1183 3.533,1184 3.521,1185 3.527,1186 3.444,1187 3.393,1188 4.93,1189 3.361,1190 3.465,1191 3.512,1192 3.329,1193 3.304,1194 4.893,1195 3.3,1196 3.201,1197 3.248,1198 3.162,1199 3.012,1200 4.349,1201 3.007,1202 2.933,1203 3.011,1204 3.049,1205 2.759,1206 4.266,1207 2.738,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.046,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 1.437,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.077,1229 2.032,1230 1.434,1231 2.07,1232 1.897,1233 1.856,1234 1.981,1235 2.009,1236 1.256,1237 2.033,1238 1.804,1239 1.76,1240 1.95,1241 1.934,1242 1.153,1243 1.951,1244 1.618,1245 1.578,1246 1.833,1247 1.792,1248 1.038,1249 1.813,1250 1.439,1251 1.417,1252 1.661,1253 1.645,1254 0.819,1255 1.646,1256 1.406,1257 1.391,1258 1.503,1259 1.58,1260 0.666,1261 1.612,1262 1.153,1263 1.109,1264 1.304,1265 1.373,1266 0.487,1267 1.396,1268 0.938,1269 0.862,1270 1.181,1271 1.169,1272 0.449,1273 1.209,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.793,1289 8.91,1290 5.303,1291 2.593,1294 0.144,1300 35.765,1301 95.985,1302 209.533,1303 269.746,1304 304.475,1305 308.475,1306 308.475,1307 99.509,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4.087,1314 3.459,1315 69.403,1316 150,1317 140,1318 0.213,1319 232.633,1320 412.4,1321 559.385,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.609,1327 22.572,1328 18.278,1329 14.365,1330 0.463,1331 0.38,1332 9.986,1333 12.868,1334 9.632,1335 8.028,1336 15.475,1337 11.78,1338 12.817,1339 0.32,1340 0.232,1341 14.549,1342 9.262,1343 9.156,1344 0.208,1345 0.146,1346 10.552,1347 6.421,1348 6.609,1349 0.138,1350 0.09,1351 7.642,1352 4.305,1353 5.081,1354 0.092,1355 0.057,1356 6.042,1357 3.112,1358 0.35,1359 100.658,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 460.398,1365 205.911,1366 493.754,1367 632.43,1368 450,1369 155,1370 386.182,1371 217.974,1372 437.11,1373 620.54,1374 408,1375 8} {0 CHEMBL136130,1 1.6,2 14.034,3 5.03,4 25.299,5 118.413,6 7.318,7 0.4,8 4.142,9 4.257,10 3.814,11 3.718,12 5.108,13 3.635,14 4.716,15 4.896,16 4.043,17 4.101,18 5.845,19 3.974,20 5.031,21 5.278,22 4.057,23 4.244,24 5.93,25 4.064,26 5.088,27 5.35,28 3.911,29 4.191,30 5.999,31 4.006,32 5.059,33 5.331,34 3.908,35 4.159,36 5.889,37 3.967,38 5.069,39 5.347,40 3.916,41 4.142,42 5.972,43 3.953,44 5.022,45 5.303,46 3.776,47 4.113,48 5.809,49 3.913,50 4.98,51 5.252,52 3.816,53 4.084,54 5.828,55 3.892,56 0.1,57 0.831,58 16.612,59 6.379,60 18.375,61 8.213,62 0.339,63 1.316,64 27.859,65 10.841,66 62.138,67 14.211,68 0.297,69 1.63,70 44.064,71 15.123,72 59.479,73 19.619,74 0.457,75 1.646,76 46.238,77 14.881,78 83.08,79 19.556,80 0.417,81 1.594,82 44.867,83 14.462,84 70.245,85 19.28,86 0.587,87 1.568,88 44.564,89 14.368,90 92.125,91 19.581,92 0.384,93 1.534,94 40.519,95 13.752,96 66.055,97 18.778,98 0.39,99 1.489,100 42.372,101 13.416,102 61.779,103 17.746,104 20,105 38,106 0.262,107 0.543,108 0.728,109 0.859,110 0.885,111 0.885,112 3.406,113 1.212,114 -4.21,115 -4.15,116 -3.93,118 36.7,120 8,121 1,124 2,140 6,141 1,142 2,143 2,168 13,171 1,172 2,175 2,177 2,180 15,186 6,191 4,194 15,198 7,203 4,206 10,210 3,215 3,218 10,222 5,227 5,229 10,234 4,239 4,242 9,247 6,252 2,255 8,259 5,263 1,264 2,267 8,270 1579,271 19.482,272 19.482,273 19.482,274 19.482,275 19.482,276 17.692,277 10.774,278 12.215,279 19.892,280 14.793,281 14.793,282 14.793,283 14.793,284 14.793,285 12.143,286 3.426,287 5.787,288 15.525,289 4.307,290 2.59,291 1.459,292 0.658,293 0.5,294 0.5,295 4.075,297 1,299 1,300 1,301 836,302 4.637,306 248.064,313 1.969,314 33.602,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 62.333,326 407,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,334 12.404,335 3.062,336 3.898,337 2.898,338 5.365,339 3.547,340 2.553,341 3.444,343 7.032,344 2.54,345 3.835,346 2.725,347 5.306,348 3.452,349 2.457,350 3.393,352 6.877,353 2.444,354 3.492,355 2.485,356 5.149,357 3.313,358 2.401,359 2.496,361 6.32,362 2.159,363 3.085,364 1.968,365 4.733,366 2.697,367 1.739,368 2.292,370 4.771,371 1.654,372 2.937,373 1.746,374 3.748,375 2.545,376 1.576,377 2.103,379 3.364,380 1.524,381 2.668,382 1.644,383 3.68,384 2.514,385 1.551,386 1.664,388 3.232,389 1.434,390 2.5,391 1.569,392 3.468,393 2.372,394 1.408,395 1.5,397 2.725,398 1.348,399 2.5,400 1.132,401 3.414,402 2.051,403 1.067,404 1.5,406 2.275,407 1.047,408 2.46,409 1,410 3.349,411 2,412 1,413 1.459,415 2.265,416 1,417 2.167,418 1,419 3.247,420 1.956,421 1,422 1.147,424 2.136,425 0.953,426 1.809,427 0.963,428 3.096,429 1.708,430 0.747,431 0.776,433 1.538,434 0.714,435 1.258,436 0.609,437 2.736,438 1.157,439 0.221,440 0.226,442 0.367,443 0.204,444 1.12,445 0.462,446 2.545,447 0.944,448 -0.032,449 -0.034,451 -0.074,452 -0.03,453 1.072,454 0.079,455 2.451,456 0.608,457 -0.224,458 -0.277,460 -0.49,461 -0.151,462 14.348,463 0.495,464 0.577,465 0.02,466 31.75,467 1.095,468 15,469 0.517,470 16.75,471 0.578,472 29.501,473 1.017,474 33.652,475 0.561,476 21.517,477 0.742,478 5.485,479 0.189,480 8.524,481 0.294,482 0.119,483 0.058,484 0.139,487 0.601,488 1.356,489 0.805,490 1.23,491 0.715,492 1.074,493 0.645,494 1.206,495 0.868,496 1.083,497 0.586,498 1.137,499 0.78,500 1.093,501 0.98,502 1.083,503 0.716,504 1.025,505 1.06,506 0.993,507 0.975,508 0.998,509 1.087,510 0.998,511 0.879,512 0.97,513 0.71,514 0.892,515 0.984,516 0.967,517 0.696,518 0.921,519 0.724,520 0.9,521 0.748,522 0.939,523 0.815,524 0.932,525 0.753,526 0.854,527 0.801,528 0.941,529 0.926,530 0.962,531 0.967,532 0.979,533 0.853,534 0.949,535 5.5,536 0.12,537 2.889,538 1.313,539 0.733,540 0.694,541 0.284,542 0.234,543 0.246,544 0.197,545 11978,546 34718,547 1.969,548 51.7,549 13,550 10,552 2,553 2,555 4,558 1.716,559 1.861,560 3.764,561 0.228,567 95.971,568 1.6,569 3.317,570 4.447,571 5.248,572 5.407,573 5.407,574 3.207,575 4.211,576 4.831,577 3.948,578 1602.95,579 8.394,580 24275.8,582 1,585 354.413,586 1.326,587 4.79,588 0.183,589 0.005,590 0.076,591 0.035,592 0.023,593 0.023,594 0.009,595 0.008,596 0.008,597 0.007,598 0.379,599 0.33,600 0.88,601 1.064,602 153.031,603 0.065,604 -0.065,605 0.139,606 -0.026,607 -0.103,608 0.028,609 0.166,610 -0.061,611 -0.017,612 -0.052,613 0.211,614 -0.112,615 -0.012,616 -0.085,617 -0.003,618 -0.042,619 0.043,620 -0.011,621 -0.099,622 -0.023,623 -0.063,624 -0.031,625 -0.05,626 -0.03,627 -0.039,628 -0.018,629 0.062,630 0.022,631 -0.062,632 -0.004,633 0.136,634 -0.003,635 0.095,636 0.003,637 0.083,638 0.029,639 -0.039,640 0.003,641 0.03,642 0.043,643 -0.059,644 0.024,645 -0.062,646 0.014,647 -0.024,648 0.002,649 -0.055,650 0.024,651 4.401,652 5.271,653 0.414,654 32.602,655 0.997,656 1.129,657 2.984,658 8.903,659 0.655,660 3.434,661 3.664,662 3.784,663 3.871,664 3.989,665 3.912,666 3.784,667 3.738,668 3.761,669 3.761,670 8.288,671 0.602,672 439.07,673 3.434,674 4.92,675 5.7,676 6.521,677 7.321,678 8.148,679 8.955,680 9.787,681 10.599,682 11.435,683 3.3,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 60,726 14,727 1,728 30,730 61,731 22,733 11,734 2,735 4,739 2,740 2,741 1,745 1,751 8,753 11,754 11,755 1,756 2,760 1,761 2,772 31,773 5,774 2,775 7,776 2,779 2,784 1,785 3,786 1,795 1,802 2,830 1,832 2,834 1,837 1,840 29,844 1,845 1,846 10,847 1,850 1,861 1,862 5,863 1,865 2,869 15.583,870 10.043,871 6.708,872 3.852,874 1.667,875 1.252,876 0.921,877 10.654,878 8.284,879 3.664,880 4.159,881 4.522,882 4.898,883 5.317,884 5.245,885 5.137,886 4.772,887 4.854,888 4.962,889 1,890 37,891 10.97,893 4.668,894 7.84,895 20.923,897 17.014,899 2.34,900 67.861,903 1,904 341.362,905 111.379,906 33.191,907 39.149,908 86.996,910 5.807,911 105.571,912 467.507,913 33.191,915 22.382,916 121.753,917 84.641,918 26.332,920 317.82,921 39.149,922 341.362,923 138.762,924 86.996,925 44.956,927 294.278,928 91.397,929 42.683,931 56.882,932 65.094,933 61.742,935 341.362,936 120.187,937 150.527,939 5.807,940 341.362,941 30.619,942 74.952,943 16.405,944 142.93,945 341.362,946 120.187,947 150.527,949 0.556,950 0.302,951 0.147,952 0.08,953 13,954 6,955 0.23,956 14,958 1,959 4.235,960 215.468,962 12,963 134.881,967 1,968 23.821,969 12.97,970 9.266,972 120.187,973 13.937,974 4.152,978 2.004,980 59.088,981 612.076,982 38,986 -3.484,987 24.542,994 59.84,995 67.717,996 0.271,997 0.562,998 0.753,999 0.889,1000 0.915,1001 0.915,1002 4.852,1003 1.408,1004 5.659,1005 3.232,1006 4.344,1007 4.844,1009 6.395,1010 4.249,1011 6.022,1012 1.067,1013 7.18,1014 2.725,1015 3.892,1016 4.783,1018 7.554,1019 3.643,1020 7.326,1021 1,1022 8.832,1023 2.275,1024 5.911,1025 7.052,1027 10.52,1028 5.695,1029 8.684,1030 1,1031 10.576,1032 2.265,1033 6.365,1034 7.914,1036 12.626,1037 5.966,1038 10.092,1039 0.747,1040 12.387,1041 2.136,1042 7.85,1043 9.705,1045 15.241,1046 7.464,1047 11.536,1048 0.221,1049 14.246,1050 1.538,1051 8.726,1052 10.954,1054 17.642,1055 8.158,1056 13.01,1057 -0.032,1058 16.139,1059 0.367,1060 10.018,1061 12.585,1063 20.184,1064 9.42,1065 3.374,1066 -0.224,1067 18.059,1068 -0.074,1069 11.084,1070 14,1072 22.667,1073 10.324,1074 2.553,1075 12.404,1076 19.997,1077 -0.49,1078 12.312,1079 15.574,1081 25.192,1082 11.487,1083 2.457,1084 7.032,1085 21.948,1086 4.697,1087 13.462,1088 17.062,1090 27.7,1091 12.495,1092 2.401,1093 6.877,1094 23.909,1095 3.444,1096 14.673,1097 18.616,1099 30.22,1100 13.619,1101 1.739,1102 6.32,1103 25.878,1104 3.393,1105 15.859,1106 20.135,1108 32.735,1109 14.679,1110 1.576,1111 4.771,1112 27.851,1113 2.496,1114 17.068,1115 21.683,1117 35.253,1118 15.791,1119 1.551,1120 3.364,1121 29.828,1122 2.292,1123 18.27,1124 23.217,1126 37.77,1127 16.877,1128 11927,1129 20600,1130 19.644,1131 39.301,1132 41.992,1133 43.747,1134 43.325,1135 42.421,1136 42.189,1137 53.394,1139 110.61,1140 40.165,1141 5.81,1142 6.683,1143 7.159,1144 5.336,1145 5.374,1146 7.697,1148 19.553,1149 5.062,1150 14.57,1151 1.4,1152 1.458,1153 1.444,1154 1.414,1155 1.406,1156 1.78,1158 3.687,1159 1.339,1160 4.075,1161 4.057,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.92,1167 3.961,1168 3.925,1169 3.825,1170 6.999,1171 3.819,1172 3.805,1173 3.857,1174 3.835,1175 3.698,1176 6.456,1177 3.687,1178 3.675,1179 3.709,1180 3.675,1181 3.586,1182 4.93,1183 3.53,1184 3.522,1185 3.561,1186 3.394,1187 3.393,1188 4.893,1189 3.354,1190 3.467,1191 3.518,1192 3.298,1193 3.314,1194 4.28,1195 3.297,1196 3.212,1197 3.275,1198 3.161,1199 3.039,1200 4.231,1201 3.021,1202 2.942,1203 3.026,1204 3.032,1205 2.761,1206 4.076,1207 2.739,1208 0.161,1209 0.156,1210 0.243,1211 0.143,1212 0.112,1213 4.844,1214 0.157,1215 4.683,1217 7.293,1218 0.413,1219 4.291,1220 0.102,1221 3.374,1222 4.697,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.094,1229 2.037,1230 1.486,1231 2.073,1232 1.899,1233 1.856,1234 1.986,1235 2.011,1236 1.258,1237 2.04,1238 1.81,1239 1.762,1240 1.953,1241 1.945,1242 1.186,1243 1.963,1244 1.628,1245 1.581,1246 1.871,1247 1.81,1248 1.133,1249 1.837,1250 1.485,1251 1.434,1252 1.754,1253 1.693,1254 0.954,1255 1.718,1256 1.413,1257 1.401,1258 1.569,1259 1.584,1260 0.809,1261 1.626,1262 1.195,1263 1.137,1264 1.357,1265 1.402,1266 0.616,1267 1.441,1268 0.947,1269 0.867,1270 1.211,1271 1.194,1272 0.46,1273 1.236,1274 4.111,1276 5.361,1278 6.797,1280 8.317,1282 9.883,1285 5.81,1289 9.15,1290 8.53,1291 2.659,1294 0.562,1300 36.104,1301 95.971,1302 199.014,1303 266.846,1304 314.904,1305 324.413,1306 324.413,1307 89.673,1308 6.617,1309 79.29,1310 87.67,1311 12,1312 12.009,1313 3.907,1314 3.17,1315 65.822,1316 145,1317 130,1318 0.211,1319 234.492,1320 408.89,1321 563.92,1322 6655,1323 1.7,1324 20.952,1325 0.722,1326 0.632,1327 21.702,1328 18.337,1329 14.009,1330 0.467,1331 0.404,1332 10.335,1333 12.572,1334 9.97,1335 8.311,1336 15.119,1337 12.122,1338 11.988,1339 0.315,1340 0.251,1341 13.72,1342 9.536,1343 8.97,1344 0.209,1345 0.157,1346 10.366,1347 6.755,1348 6.533,1349 0.139,1350 0.098,1351 7.566,1352 4.616,1353 4.936,1354 0.093,1355 0.063,1356 5.896,1357 3.333,1358 0.347,1359 98.075,1360 0.226,1361 28.625,1362 0.536,1363 136,1364 390.663,1365 196.922,1366 427.455,1367 552.11,1368 392,1369 149,1370 331.031,1371 210.313,1372 382.725,1373 545.22,1374 358,1375 7.155} {0 CHEMBL136149,1 1.66,2 14.067,3 4.35,4 18.923,5 119.972,6 7.534,7 0.387,8 4.145,9 4.265,10 3.838,11 3.722,12 5.159,13 3.646,14 4.71,15 4.886,16 4.084,17 4.104,18 5.909,19 3.986,20 5.029,21 5.265,22 4.082,23 4.246,24 5.994,25 4.079,26 5.092,27 5.351,28 3.936,29 4.198,30 6.034,31 4.02,32 5.063,33 5.333,34 3.951,35 4.164,36 5.934,37 3.984,38 5.06,39 5.329,40 3.965,41 4.149,42 6.037,43 3.978,44 5.03,45 5.306,46 3.832,47 4.127,48 5.893,49 3.943,50 4.988,51 5.255,52 3.87,53 4.098,54 5.912,55 3.923,56 0.092,57 0.856,58 15.936,59 6.121,60 20.019,61 7.889,62 0.345,63 1.327,64 26.804,65 10.622,66 70.931,67 13.924,68 0.345,69 1.633,70 43.74,71 14.776,72 76.256,73 19.038,74 0.491,75 1.657,76 46.588,77 14.77,78 98.037,79 19.425,80 0.446,81 1.605,82 45.255,83 14.311,84 85.711,85 19.144,86 0.618,87 1.585,88 44.035,89 13.816,90 109.205,91 18.936,92 0.43,93 1.569,94 40.892,95 13.416,96 85.182,97 18.473,98 0.434,99 1.523,100 42.779,101 13.082,102 79.979,103 17.419,104 29,105 40,106 0.271,107 0.565,108 0.745,109 0.871,110 0.882,111 0.882,112 3.439,113 1.176,114 -3.77,115 -3.74,116 -3.55,118 36.7,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,159 1,160 1,161 1,168 13,171 1,172 3,174 1,175 3,177 2,180 15,183 1,186 7,191 4,194 15,196 1,198 8,203 4,206 10,208 1,210 5,215 3,218 10,220 2,222 7,227 5,229 10,232 2,234 6,239 4,242 9,245 2,247 7,252 2,255 8,257 1,259 6,262 1,263 1,264 2,266 1,267 8,269 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 13.038,278 12.194,279 20.114,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 5.614,287 5.838,288 15.938,289 4.247,290 2.441,291 1.342,292 0.567,293 0.5,294 0.5,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 38.165,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 64.833,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.886,334 12.404,335 3.062,336 3.898,337 3.516,338 5.37,339 3.559,340 2.562,341 3.444,343 7.047,344 2.556,345 3.835,346 2.898,347 5.313,348 3.473,349 2.477,350 3.393,352 6.896,353 2.464,354 3.612,355 2.725,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.178,363 3.391,364 2.464,365 4.733,366 3.162,367 2.135,368 2.427,370 5.057,371 2.157,372 3.085,373 1.966,374 4.611,375 2.688,376 1.732,377 2.292,379 4.77,380 1.643,381 2.936,382 1.644,383 3.745,384 2.537,385 1.572,386 2.101,388 3.356,389 1.498,390 2.651,391 1.593,392 3.665,393 2.474,394 1.504,395 1.647,397 3.199,398 1.412,399 2.5,400 1.189,401 3.414,402 2.086,403 1.095,404 1.5,406 2.37,407 1.083,408 2.5,409 1.114,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.817,430 0.838,431 0.877,433 1.81,434 0.816,435 1.544,436 0.808,437 2.861,438 1.418,439 0.42,440 0.448,442 0.924,443 0.417,444 1.12,445 0.556,446 2.693,447 0.947,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.156,455 2.543,456 0.638,457 -0.222,458 -0.273,460 -0.488,461 -0.15,462 14.748,463 0.492,464 0.721,465 0.024,466 34,467 1.133,468 16.5,469 0.55,470 17.5,471 0.583,472 29.878,473 0.996,474 34.452,475 0.574,476 24.311,477 0.81,478 6.021,479 0.201,480 8.344,481 0.278,482 0.143,483 0.057,484 0.17,487 0.548,488 1.326,489 0.787,490 1.206,491 0.65,492 1.04,493 0.509,494 1.201,495 0.831,496 1.096,497 0.459,498 1.13,499 0.898,500 1.091,501 1.03,502 1.107,503 0.85,504 1.061,505 1.056,506 0.979,507 0.986,508 1.007,509 1.04,510 1.011,511 0.872,512 0.954,513 0.699,514 0.879,515 0.943,516 0.949,517 0.757,518 0.941,519 0.761,520 0.92,521 0.849,522 0.968,523 0.86,524 0.936,525 0.777,526 0.857,527 0.887,528 0.953,529 0.972,530 0.966,531 0.992,532 0.982,533 0.938,534 0.961,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 39950,547 1.951,548 50,549 13,550 8,552 2,553 3,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.9,563 1,567 99.589,568 1.66,569 3.465,570 4.565,571 5.34,572 5.407,573 5.407,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 354.413,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.057,604 -0.023,605 0.134,606 -0.018,607 -0.091,608 0.036,609 0.244,610 -0.061,611 0.009,612 -0.062,613 0.268,614 -0.107,615 -0.059,616 -0.087,617 -0.046,618 -0.059,619 -0.008,620 -0.048,621 -0.108,622 -0.023,623 -0.07,624 -0.032,625 -0.062,626 -0.034,627 -0.037,628 -0.018,629 0.081,630 0.04,631 -0.059,632 0.024,633 0.102,634 -0.012,635 0.068,636 -0.014,637 0.036,638 0.004,639 -0.063,640 0.004,641 0.014,642 0.04,643 -0.085,644 0.014,645 -0.091,646 0.014,647 -0.045,648 -0.003,649 -0.083,650 0.013,651 4.436,652 5.283,653 0.4,654 34.133,655 1.001,656 1.13,657 2.542,658 6.463,659 0.659,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.61,672 452.07,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 5,685 1,690 1,693 1,699 8,700 1,704 3,706 12,723 1,724 60,726 15,727 1,728 31,730 61,731 22,733 11,734 2,735 4,739 2,740 2,741 1,751 8,753 12,754 10,755 1,756 3,760 1,761 3,765 1,769 1,772 30,773 6,774 3,775 8,776 2,779 3,784 1,785 3,795 1,802 2,815 1,832 2,834 1,837 1,840 30,841 1,844 1,846 9,847 1,850 1,861 1,862 5,865 3,869 16.417,870 10.093,871 6.792,872 3.752,874 1.666,875 1.25,876 0.942,877 10.458,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.335,893 4.859,894 7.934,895 21.351,897 17.327,899 2.434,900 73.028,903 1,904 317.82,905 116.083,906 66.088,907 39.149,908 69.458,910 5.807,911 110.276,912 426.426,913 66.088,915 55.279,916 79.07,917 114.49,918 26.332,920 294.278,921 39.149,922 317.82,923 176.364,924 69.458,925 44.956,927 294.278,928 93,931 89.779,932 69.799,933 61.742,935 317.82,936 135.546,937 155.232,939 5.807,940 317.82,941 35.324,942 74.952,943 16.405,944 158.289,945 317.82,946 135.546,947 155.232,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.23,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.49,969 12.811,970 9.727,972 135.546,973 13.754,974 4.134,978 1.92,980 49.302,981 608.597,982 40,986 -3.52,987 35.737,991 -0.275,994 60.058,995 67.8,996 0.281,997 0.587,998 0.773,999 0.904,1000 0.915,1001 0.915,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 1.906,1009 6.447,1010 4.315,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 1.593,1018 7.591,1019 3.8,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 2.857,1027 10.542,1028 5.773,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 2.98,1036 12.635,1037 6.075,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 3.972,1045 15.247,1046 7.535,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 4.33,1054 17.644,1055 8.23,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 5.163,1063 20.185,1064 9.475,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 5.648,1072 22.668,1073 10.372,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 6.39,1081 25.192,1082 11.526,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 6.944,1090 27.7,1091 12.527,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 7.637,1099 30.22,1100 13.646,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 8.228,1108 32.735,1109 14.701,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 8.895,1117 35.253,1118 15.809,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 9.506,1126 37.77,1127 16.892,1128 12899,1129 22942,1130 20.049,1131 39.546,1132 44.316,1133 46.119,1134 45.114,1135 44.469,1136 44.219,1137 56.516,1138 3.772,1139 117.127,1140 42.481,1141 5.81,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.272,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.488,1153 1.455,1154 1.434,1155 1.426,1156 1.823,1157 0.122,1158 3.778,1159 1.37,1160 4.075,1161 4.057,1162 4.735,1163 4.064,1164 7.717,1165 3.975,1166 3.921,1167 3.962,1168 3.926,1169 3.826,1170 7.437,1171 3.82,1172 3.809,1173 3.86,1174 3.836,1175 3.7,1176 6.999,1177 3.69,1178 3.679,1179 3.714,1180 3.691,1181 3.587,1182 4.931,1183 3.532,1184 3.554,1185 3.591,1186 3.459,1187 3.399,1188 4.895,1189 3.374,1190 3.477,1191 3.518,1192 3.341,1193 3.325,1194 4.88,1195 3.313,1196 3.238,1197 3.304,1198 3.163,1199 3.054,1200 4.279,1201 3.046,1202 2.969,1203 3.066,1204 3.073,1205 2.764,1206 4.225,1207 2.743,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.061,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 1.886,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.09,1229 2.037,1230 1.48,1231 2.072,1232 1.899,1233 1.856,1234 1.985,1235 2.011,1236 1.257,1237 2.04,1238 1.809,1239 1.762,1240 1.952,1241 1.946,1242 1.168,1243 1.961,1244 1.627,1245 1.582,1246 1.858,1247 1.814,1248 1.113,1249 1.834,1250 1.484,1251 1.44,1252 1.728,1253 1.708,1254 0.9,1255 1.714,1256 1.413,1257 1.402,1258 1.554,1259 1.586,1260 0.797,1261 1.626,1262 1.201,1263 1.147,1264 1.348,1265 1.426,1266 0.578,1267 1.453,1268 0.953,1269 0.872,1270 1.227,1271 1.234,1272 0.456,1273 1.27,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.806,1288 5.317,1290 7.118,1291 2.631,1294 0.405,1300 36.598,1301 99.589,1302 207.928,1303 273.884,1304 320.413,1305 324.413,1306 324.413,1307 100.21,1308 6.671,1309 102.15,1310 110.53,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 238.359,1320 417.25,1321 573.355,1322 7051,1323 1.7,1324 21.822,1325 0.727,1326 0.622,1327 22.572,1328 18.668,1329 14.365,1330 0.463,1331 0.392,1332 10.363,1333 12.901,1334 9.992,1335 8.325,1336 15.475,1337 12.152,1338 12.817,1339 0.32,1340 0.242,1341 14.549,1342 9.675,1343 9.156,1344 0.208,1345 0.154,1346 10.552,1347 6.784,1348 6.609,1349 0.138,1350 0.095,1351 7.642,1352 4.582,1353 5.081,1354 0.092,1355 0.061,1356 6.042,1357 3.345,1358 0.35,1359 100.369,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 427.561,1365 204.724,1366 464.979,1367 597.31,1368 424,1369 155,1370 363.997,1371 217.311,1372 415.552,1373 588.44,1374 388,1375 7.222} {0 CHEMBL136220,1 1.749,2 11.444,3 3.912,4 15.303,5 103.986,6 8.219,7 0.429,8 3.983,9 4.08,10 3.761,11 3.572,12 5.071,13 3.511,14 4.529,15 4.679,16 4.022,17 3.942,18 5.874,19 3.848,20 4.839,21 5.054,22 4.056,23 4.082,24 5.897,25 3.939,26 4.883,27 5.107,28 4.009,29 4.039,30 5.987,31 3.901,32 4.867,33 5.089,34 4.072,35 4.031,36 5.979,37 3.906,38 4.864,39 5.074,40 4.07,41 4.037,42 6.12,43 3.927,44 4.816,45 5.039,46 3.825,47 4.019,48 5.872,49 3.884,50 4.789,51 5.026,52 3.762,53 3.963,54 5.799,55 3.811,56 0.122,57 0.7,58 12.189,59 5.165,60 24.234,61 6.054,62 0.431,63 1.101,64 20.427,65 8.683,66 81.678,67 10.725,68 0.47,69 1.376,70 36.467,71 12.321,72 85.196,73 14.955,74 0.622,75 1.416,76 39.468,77 12.284,78 102.944,79 14.625,80 0.63,81 1.39,82 40.631,83 11.971,84 110.492,85 14.165,86 0.826,87 1.349,88 36.79,89 11.587,90 134.325,91 14.154,92 0.502,93 1.32,94 33.067,95 11.491,96 90.278,97 14.483,98 0.518,99 1.262,100 32.632,101 10.947,102 91.011,103 14.078,104 33,105 37,106 0.296,107 0.606,108 0.741,109 0.849,110 0.881,111 0.881,112 3.339,113 1.14,114 -3.52,115 -3.5,116 -3.34,118 38,120 6,126 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 3,175 3,177 3,180 10,181 1,186 6,191 5,194 9,195 1,198 10,201 1,203 5,206 5,207 1,210 6,215 2,218 8,219 1,221 2,222 8,227 3,229 11,230 1,234 6,239 2,242 11,247 5,253 1,255 10,256 1,259 4,262 1,263 1,264 1,267 7,268 1,270 1422,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.725,277 13.8,278 10.889,279 18.072,280 13.843,281 13.843,282 13.843,283 13.843,284 13.843,285 10.914,286 14.422,287 5.232,288 14.517,289 3.895,290 2.065,291 1.27,292 0.63,293 0.44,294 0.44,295 4.002,297 1,299 1,300 1,301 627,302 4.528,306 216.143,313 1.679,314 41.319,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 59.333,326 309,327 4.854,328 4.687,329 7.312,330 4.319,331 3.399,332 4.701,333 2.341,334 12.529,335 3.106,336 4.053,337 3.596,338 6.125,339 3.761,340 2.782,341 3.545,342 0.522,343 8.959,344 2.713,345 3.83,346 3.102,347 5.149,348 3.303,349 2.392,350 3.389,352 6.318,353 2.223,354 3.55,355 2.896,356 4.774,357 3.241,358 2.235,359 2.71,361 5.184,362 2.149,363 3.201,364 1.999,365 4.659,366 2.884,367 1.912,368 2.393,370 4.959,371 1.855,372 3.05,373 1.802,374 4.384,375 2.65,376 1.672,377 2.242,379 4.308,380 1.621,381 2.769,382 1.688,383 3.731,384 2.508,385 1.555,386 1.786,388 3.376,389 1.417,390 2.5,391 1.33,392 3.496,393 2.198,394 1.212,395 1.5,397 2.689,398 1.191,399 2.5,400 1.09,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.475,409 1,410 3.247,411 1.957,412 1,413 1.459,415 2.136,416 0.954,417 2.014,418 1,419 3.244,420 1.86,421 0.878,422 0.963,424 1.942,425 0.857,426 1.331,427 0.721,428 2.921,429 1.228,430 0.238,431 0.249,433 0.522,434 0.233,435 1.12,436 0.575,437 2.608,438 0.634,439 -0.207,440 -0.251,442 -0.458,443 -0.137,444 1,445 0.278,446 2.416,447 0.547,448 -0.415,449 -0.458,451 -1.029,452 -0.4,453 0.812,454 -0.115,455 2,456 0.362,457 -0.617,458 -0.739,460 -1.432,461 -0.598,462 13.181,463 0.488,464 0.704,465 0.026,466 32.5,467 1.204,468 16.5,469 0.611,470 16,471 0.593,472 24.075,473 0.892,474 30.619,475 0.612,476 24.624,477 0.912,478 5.977,479 0.221,480 6.905,481 0.256,482 0.155,483 0.063,484 0.19,487 0.589,488 1.315,489 0.743,490 1.188,491 0.678,492 0.984,493 0.472,494 1.229,495 0.798,496 1.069,497 0.439,498 1.102,499 0.885,500 1.115,501 1.009,502 1.06,503 0.829,504 1.016,505 1.095,506 1.013,507 1.062,508 1.036,509 1.07,510 0.984,511 1.115,512 0.993,513 0.863,514 0.952,515 1.18,516 0.905,517 0.948,518 0.914,519 0.874,520 0.947,521 1.072,522 0.959,523 0.904,524 1.016,525 0.894,526 0.981,527 0.932,528 1.041,529 0.903,530 0.979,531 0.902,532 0.915,533 0.903,534 1.032,535 6,536 0.182,537 3.111,538 1.563,539 1.173,540 1.063,541 0.448,542 0.267,543 0.246,544 0.214,545 8348,546 29933,547 1.946,548 46,549 8,550 7,552 2,553 2,554 2,555 2,558 1.704,559 1.81,560 3.444,561 0.304,563 1,567 87.44,568 1.749,569 3.579,570 4.374,571 5.014,572 5.204,573 5.204,574 2.911,575 4.31,576 4.718,577 3.653,578 1282.25,579 8.214,580 17151.8,582 1,584 1,585 282.193,586 1.525,587 4.669,588 0.214,589 0.009,590 0.084,591 0.043,592 0.035,593 0.03,594 0.012,595 0.008,596 0.009,597 0.009,598 0.453,599 0.33,600 0.88,601 1.859,602 135.43,603 0.033,604 -0.072,605 0.132,606 -0.033,607 -0.099,608 0.032,609 0.262,610 -0.1,611 0.01,612 -0.067,613 0.281,614 -0.121,615 -0.072,616 -0.102,617 -0.014,618 -0.016,619 -0.029,620 -0.008,621 -0.131,622 0.007,623 -0.063,624 -0.007,625 -0.085,626 -0.009,627 -0.131,628 0.025,629 0.058,630 0.069,631 -0.114,632 0.066,633 0.062,634 0.076,635 0.021,636 0.01,637 0.009,638 0.005,639 -0.105,640 -0.035,641 -0.09,642 -0.04,643 -0.1,644 -0.052,645 -0.113,646 -0.013,647 -0.069,648 -0.002,649 -0.128,650 -0.047,651 4.614,652 5.697,653 0.444,654 28.815,655 1.013,656 1.125,657 2.292,658 5.251,659 0.674,660 3.367,661 3.638,662 3.761,663 3.912,664 4.094,665 4.078,666 4.025,667 4.007,668 4.078,669 3.989,670 6.829,671 0.634,672 410.96,673 3.367,674 4.875,675 5.666,676 6.512,677 7.331,678 8.186,679 9.02,680 9.882,681 10.724,682 11.591,683 4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 50,726 15,727 1,728 28,730 51,731 19,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 7,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 27,844 1,845 1,846 6,847 1,850 1,861 1,862 8,864 1,865 3,869 14.917,870 8.46,871 6.069,872 3.052,874 1.751,875 1.269,876 0.925,877 8.391,878 8.256,879 3.638,880 4.174,881 4.533,882 4.959,883 5.429,884 5.461,885 5.531,886 5.486,887 5.804,888 5.883,889 0.875,890 36,891 10.253,893 4.52,894 8.112,895 18.81,897 15.244,899 2.612,900 70.528,902 1,903 1,904 247.193,905 105.114,906 33.191,907 39.149,908 112.141,910 5.807,911 99.306,912 398.483,913 33.191,915 15.207,916 79.07,917 153.379,918 26.332,920 223.651,921 39.149,922 247.193,923 132.497,924 112.141,925 44.956,927 223.651,928 135.683,931 49.707,932 66.004,933 61.742,935 247.193,936 145.332,937 144.262,939 5.807,940 247.193,941 24.354,942 74.952,943 16.405,944 168.075,945 247.193,946 145.332,947 144.262,949 0.569,950 0.299,951 0.147,952 0.084,953 14,954 7,955 0.216,956 11,958 1,959 3.863,960 207.442,962 12,963 122.382,967 1,968 21.52,969 10.528,970 7.393,972 145.332,973 12.918,974 4.079,978 1.418,980 59.088,981 536.787,982 37,986 -3.697,987 35.941,991 -0.793,994 50.633,995 56.265,996 0.31,997 0.634,998 0.775,999 0.888,1000 0.922,1001 0.922,1002 4.844,1003 1.212,1004 5.659,1005 3.376,1006 4.317,1007 4.86,1008 2.313,1009 6.441,1010 4.222,1011 6.049,1012 1,1013 7.21,1014 2.689,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.77,1020 7.372,1021 1,1022 8.889,1023 2.275,1024 5.927,1025 7.091,1026 3.632,1027 10.643,1028 5.707,1029 8.743,1030 0.878,1031 10.655,1032 2.136,1033 6.463,1034 7.971,1035 4.112,1036 12.739,1037 6.08,1038 10.158,1039 0.238,1040 12.481,1041 1.942,1042 7.909,1043 9.742,1044 5.202,1045 15.379,1046 7.525,1047 11.606,1048 -0.207,1049 14.349,1050 0.522,1051 8.827,1052 10.992,1053 5.889,1054 17.764,1055 8.289,1056 13.08,1057 -0.415,1058 16.248,1059 -0.458,1060 10.107,1061 12.614,1062 6.849,1063 20.316,1064 9.532,1065 3.399,1066 -0.617,1067 18.168,1068 -1.029,1069 11.195,1070 14.028,1071 7.625,1072 22.792,1073 10.485,1074 2.782,1075 12.529,1076 20.105,1077 -1.432,1078 12.42,1079 15.597,1080 8.526,1081 25.323,1082 11.646,1083 2.392,1084 8.959,1085 22.054,1086 4.701,1087 13.581,1088 17.084,1089 9.342,1090 27.831,1091 12.688,1092 2.235,1093 6.318,1094 24.011,1095 3.545,1096 14.794,1097 18.636,1098 10.216,1099 30.357,1100 13.82,1101 1.912,1102 5.184,1103 25.975,1104 3.389,1105 15.986,1106 20.155,1107 11.051,1108 32.877,1109 14.904,1110 1.672,1111 4.959,1112 27.945,1113 2.71,1114 17.198,1115 21.702,1116 11.912,1117 35.403,1118 16.026,1119 1.555,1120 4.308,1121 29.918,1122 2.393,1123 18.404,1124 23.236,1125 12.755,1126 37.927,1127 17.131,1128 8510,1129 16277,1130 17.97,1131 33.71,1132 40.539,1133 42.12,1134 41.481,1135 40.843,1136 40.552,1137 52.87,1138 5.725,1139 110.394,1140 38.637,1141 5.811,1142 6.687,1143 7.137,1144 5.375,1145 5.399,1146 7.701,1147 3.925,1148 19.93,1149 5.106,1150 15.3,1151 1.448,1152 1.504,1153 1.481,1154 1.459,1155 1.448,1156 1.888,1157 0.204,1158 3.943,1159 1.38,1160 4.088,1161 4.075,1162 4.737,1163 4.071,1164 7.717,1165 3.986,1166 3.887,1167 3.92,1168 3.925,1169 3.801,1170 7.474,1171 3.799,1172 3.754,1173 3.808,1174 3.827,1175 3.623,1176 6.999,1177 3.611,1178 3.638,1179 3.649,1180 3.62,1181 3.562,1182 6.351,1183 3.492,1184 3.525,1185 3.543,1186 3.419,1187 3.365,1188 4.931,1189 3.352,1190 3.251,1191 3.287,1192 3.178,1193 3.056,1194 4.893,1195 3.056,1196 2.964,1197 3.02,1198 3.11,1199 2.76,1200 4.271,1201 2.76,1202 2.854,1203 2.925,1204 2.795,1205 2.735,1206 4.185,1207 2.715,1208 0.173,1209 0.167,1210 0.261,1211 0.154,1212 0.121,1213 4.854,1214 0.168,1215 4.687,1216 0.084,1217 7.312,1218 0.447,1219 4.319,1220 0.111,1221 3.399,1222 4.701,1223 2.341,1224 12.529,1225 3.106,1226 1.967,1227 1.974,1228 2.054,1229 2.056,1230 1.405,1231 2.086,1232 1.87,1233 1.835,1234 1.961,1235 1.965,1236 1.228,1237 1.991,1238 1.752,1239 1.698,1240 1.942,1241 1.913,1242 1.127,1243 1.931,1244 1.548,1245 1.518,1246 1.773,1247 1.74,1248 0.961,1249 1.753,1250 1.418,1251 1.425,1252 1.513,1253 1.602,1254 0.731,1255 1.629,1256 1.185,1257 1.148,1258 1.261,1259 1.414,1260 0.552,1261 1.428,1262 0.922,1263 0.868,1264 1.181,1265 1.176,1266 0.368,1267 1.187,1268 0.886,1269 0.821,1270 1.065,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.323,1278 6.786,1280 8.334,1282 9.933,1285 5.833,1289 8.668,1290 3.815,1291 2.75,1294 -0.404,1300 31.711,1301 87.44,1302 178.968,1303 218.709,1304 250.683,1305 260.193,1306 260.193,1307 88.874,1308 6.506,1309 96.36,1310 104.74,1311 12,1312 12.143,1313 4,1314 3.322,1315 58.22,1316 102,1317 130,1318 0.259,1319 206.784,1320 363.14,1321 496.312,1322 4776,1323 2,1324 19.7,1325 0.73,1326 0.608,1327 20.45,1328 16.417,1329 12.882,1330 0.46,1331 0.38,1332 8.848,1333 11.415,1334 8.53,1335 7.091,1336 13.992,1337 10.64,1338 11.693,1339 0.316,1340 0.227,1341 13.402,1342 8.411,1343 8.332,1344 0.198,1345 0.14,1346 9.712,1347 5.881,1348 6.307,1349 0.129,1350 0.084,1351 7.503,1352 4.108,1353 4.935,1354 0.084,1355 0.052,1356 6.153,1357 3.077,1358 0.408,1359 91.713,1360 0.236,1361 26.27,1362 0.703,1363 130,1364 438.398,1365 194.244,1366 470.51,1367 601.71,1368 428,1369 144,1370 366.464,1371 209.144,1372 415.583,1373 593.1,1374 388,1375 6.301} {0 CHEMBL136371,1 1.697,2 14.194,3 4.108,4 16.877,5 119.907,6 7.817,7 0.375,8 4.157,9 4.262,10 3.872,11 3.718,12 5.222,13 3.654,14 4.721,15 4.883,16 4.133,17 4.106,18 6.004,19 4.005,20 5.051,21 5.277,22 4.13,23 4.252,24 6.074,25 4.1,26 5.102,27 5.349,28 3.991,29 4.199,30 6.104,31 4.04,32 5.081,33 5.339,34 3.987,35 4.163,36 6.017,37 3.999,38 5.073,39 5.327,40 3.998,41 4.138,42 6.109,43 3.985,44 5.026,45 5.283,46 3.869,47 4.109,48 5.963,49 3.946,50 4.984,51 5.229,52 3.93,53 4.084,54 5.986,55 3.936,56 0.167,57 0.835,58 15.248,59 6.24,60 25.44,61 7.669,62 0.456,63 1.314,64 25.994,65 10.695,66 86.43,67 13.588,68 0.539,69 1.635,70 44.611,71 15.004,72 99.929,73 18.961,74 0.693,75 1.651,76 47.246,77 14.828,78 124.913,79 19.155,80 0.667,81 1.597,82 46.382,83 14.424,84 123.527,85 18.927,86 0.835,87 1.547,88 45.091,89 13.994,90 144.328,91 18.626,92 0.652,93 1.512,94 41.079,95 13.367,96 120.513,97 17.787,98 0.633,99 1.471,100 42.863,101 13.046,102 107.834,103 16.717,104 40,105 42,106 0.276,107 0.576,108 0.748,109 0.874,110 0.885,111 0.885,112 3.471,113 1.15,114 -2.32,115 -2.35,116 -2.31,118 36.7,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,162 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 9,191 4,194 15,195 1,198 10,203 4,206 10,207 2,210 6,215 3,218 10,219 2,222 8,227 5,229 10,230 2,234 7,239 4,242 9,243 1,247 9,252 2,253 1,255 8,256 1,259 8,260 1,262 1,263 1,264 2,267 8,268 1,270 1981,271 20.214,272 20.214,273 20.214,274 20.214,275 20.214,276 18.087,277 14.252,278 12.314,279 20.612,280 15.794,281 15.794,282 15.794,283 15.794,284 15.794,285 12.583,286 6.676,287 5.888,288 16.495,289 4.21,290 2.362,291 1.309,292 0.533,293 0.467,294 0.467,295 4.136,297 1,299 1,300 1,301 900,302 4.899,306 267.013,313 2.006,314 47.237,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 68.333,326 440,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 4.15,337 3.597,338 5.505,339 3.636,340 2.659,341 3.963,343 7.444,344 2.602,345 3.835,346 3.184,347 5.343,348 3.513,349 2.515,350 3.393,352 6.975,353 2.504,354 3.616,355 2.898,356 5.149,357 3.313,358 2.401,359 2.819,361 6.32,362 2.159,363 3.477,364 2.591,365 4.749,366 3.145,367 2.14,368 2.738,370 5.318,371 2.124,372 3.375,373 2.446,374 4.733,375 2.958,376 1.993,377 2.42,379 5.054,380 1.917,381 3.085,382 1.965,383 4.611,384 2.682,385 1.728,386 2.292,388 4.77,389 1.632,390 2.714,391 1.613,392 3.735,393 2.497,394 1.529,395 1.797,397 3.326,398 1.42,399 2.648,400 1.392,401 3.509,402 2.252,403 1.258,404 1.646,406 2.71,407 1.248,408 2.5,409 1.174,410 3.414,411 2.073,412 1.082,413 1.5,415 2.389,416 1.07,417 2.219,418 1.11,419 3.409,420 2,421 1,422 1.196,424 2.275,425 1,426 1.922,427 1,428 3.253,429 1.815,430 0.838,431 0.877,433 1.811,434 0.813,435 1.544,436 0.822,437 2.869,438 1.414,439 0.421,440 0.449,442 0.931,443 0.415,444 1.295,445 0.564,446 2.734,447 0.947,448 -0.031,449 -0.033,451 -0.073,452 -0.03,453 1.12,454 0.372,455 2.561,456 0.651,457 -0.221,458 -0.273,460 -0.489,461 -0.15,462 15.014,463 0.484,464 0.827,465 0.027,466 35.75,467 1.153,468 17.5,469 0.565,470 18.25,471 0.589,472 30.55,473 0.985,474 35.986,475 0.6,476 26.747,477 0.863,478 6.335,479 0.204,480 8.424,481 0.272,482 0.159,483 0.056,484 0.193,487 0.523,488 1.329,489 0.762,490 1.21,491 0.625,492 1.04,493 0.483,494 1.234,495 0.812,496 1.11,497 0.427,498 1.136,499 0.838,500 1.105,501 1.015,502 1.1,503 0.79,504 1.059,505 0.959,506 1.004,507 0.984,508 1.014,509 0.93,510 1.022,511 0.859,512 0.952,513 0.718,514 0.878,515 0.912,516 0.962,517 0.814,518 0.926,519 0.774,520 0.909,521 0.862,522 0.967,523 0.917,524 0.938,525 0.807,526 0.862,527 0.918,528 0.97,529 1.007,530 0.982,531 1.013,532 1,533 0.948,534 0.974,535 7.5,536 0.219,537 3.333,538 1.625,539 1.084,540 0.861,541 0.366,542 0.328,543 0.37,544 0.257,545 14040,546 48378,547 1.934,548 48.3,549 13,550 8,552 2,553 2,554 2,555 2,558 1.735,559 1.797,560 3.769,561 0.257,563 1,567 101.815,568 1.697,569 3.545,570 4.598,571 5.374,572 5.44,573 5.44,574 3.205,575 4.696,576 4.928,577 3.979,578 1850.34,579 8.596,580 29434.1,585 354.413,586 1.532,587 4.867,588 0.234,589 0.007,590 0.079,591 0.041,592 0.031,593 0.026,594 0.011,595 0.011,596 0.011,597 0.008,598 0.459,599 0.33,600 0.75,601 1.098,602 166.758,603 0.097,604 -0.031,605 0.13,606 -0.014,607 -0.062,608 0.025,609 0.218,610 -0.08,611 0.009,612 -0.072,613 0.253,614 -0.115,615 -0.058,616 -0.094,617 -0.042,618 -0.055,619 -0.012,620 -0.04,621 -0.1,622 -0.033,623 -0.07,624 -0.039,625 -0.054,626 -0.035,627 -0.052,628 -0.005,629 0.069,630 0.037,631 -0.069,632 0.018,633 0.046,634 -0.005,635 0.065,636 -0.002,638 0.015,639 -0.087,640 0.002,641 -0.002,642 0.039,643 -0.101,644 0.007,645 -0.11,646 0.003,647 -0.056,648 -0.012,649 -0.09,650 0.008,651 4.478,652 5.275,653 0.387,654 35.848,655 1.01,656 1.129,657 1.085,658 1.177,659 0.657,660 3.497,661 3.761,662 3.85,663 3.951,664 4.078,665 4.025,666 3.871,667 3.85,668 3.892,669 3.912,670 8.531,671 0.617,672 469.05,673 3.497,674 5.004,675 5.784,676 6.616,677 7.415,678 8.25,679 9.057,680 9.895,681 10.707,682 11.547,683 3.3,685 1,694 1,699 8,704 3,706 12,723 1,724 60,726 16,727 1,728 32,730 61,731 22,733 11,734 2,735 4,739 2,740 2,741 1,751 8,753 12,754 10,755 1,756 4,760 1,761 4,765 1,769 1,772 29,773 6,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 31,844 1,845 1,846 9,847 1,850 1,861 1,862 8.3,864 1,865 3,868 1,869 17.25,870 10.126,871 6.958,872 3.752,874 1.806,875 1.267,876 0.92,877 10.584,878 8.564,879 3.761,880 4.304,881 4.635,882 5.037,883 5.449,884 5.475,885 5.24,886 4.951,887 5.046,888 5.211,889 1,890 40,891 11.732,893 5.101,894 8.114,895 21.767,897 17.706,899 2.614,900 81.028,904 317.82,905 112.289,906 19.577,907 39.149,908 137.515,910 5.807,911 106.481,912 494.483,913 19.577,914 3.172,915 22.382,916 79.07,917 136.593,918 26.332,920 294.278,921 64.522,922 317.82,923 126.058,924 137.515,925 44.956,927 294.278,928 135.683,929 25.373,931 56.882,932 66.004,933 48.128,935 317.82,936 157.092,937 151.437,939 5.807,940 317.82,941 31.529,942 78.124,943 16.405,944 176.663,945 317.82,946 157.092,947 151.437,949 0.571,950 0.298,951 0.141,952 0.078,953 15,954 8,955 0.23,956 14,958 1,959 4.339,960 238.644,962 12,963 145.58,967 1,968 25.442,969 12.896,970 9.896,972 153.92,973 12.633,978 1.619,980 59.088,981 626.349,982 42,986 -3.561,987 46.846,991 -0.809,994 60.611,995 67.72,996 0.287,997 0.6,998 0.778,999 0.91,1000 0.921,1001 0.921,1002 4.97,1003 1.529,1004 5.771,1005 4.77,1006 4.443,1007 4.99,1008 2.258,1009 6.515,1010 4.356,1011 6.173,1012 1.258,1013 7.302,1014 3.326,1015 4.111,1016 5.066,1017 2.243,1018 7.644,1019 3.888,1020 7.494,1021 1.082,1022 8.953,1023 2.71,1024 6.023,1025 7.238,1026 3.628,1027 10.593,1028 5.821,1029 8.86,1030 1,1031 10.686,1032 2.389,1033 6.509,1034 8.14,1035 4.112,1036 12.659,1037 6.139,1038 10.266,1039 0.838,1040 12.48,1041 2.275,1042 7.947,1043 9.883,1044 5.201,1045 15.269,1046 7.58,1047 11.703,1048 0.421,1049 14.321,1050 1.811,1051 8.819,1052 11.137,1053 5.889,1054 17.654,1055 8.281,1056 13.164,1057 -0.031,1058 16.198,1059 0.931,1060 10.088,1061 12.739,1062 6.849,1063 20.194,1064 9.516,1065 3.374,1066 -0.221,1067 18.104,1068 -0.073,1069 11.145,1070 14.146,1071 7.625,1072 22.672,1073 10.415,1074 2.659,1075 12.404,1076 20.031,1077 -0.489,1078 12.36,1079 15.7,1080 8.526,1081 25.196,1082 11.563,1083 2.515,1084 7.444,1085 21.974,1086 4.697,1087 13.502,1088 17.176,1089 9.342,1090 27.702,1091 12.564,1092 2.401,1093 6.975,1094 23.928,1095 3.963,1096 14.705,1097 18.715,1098 10.216,1099 30.221,1100 13.679,1101 2.14,1102 6.32,1103 25.892,1104 3.393,1105 15.885,1106 20.223,1107 11.051,1108 32.736,1109 14.732,1110 1.993,1111 5.318,1112 27.862,1113 2.819,1114 17.089,1115 21.759,1116 11.912,1117 35.254,1118 15.838,1119 1.728,1120 5.054,1121 29.836,1122 2.738,1123 18.287,1124 23.284,1125 12.755,1126 37.771,1127 16.918,1128 14038,1129 26298,1130 20.455,1131 39.449,1132 45.735,1133 48.016,1134 47.111,1135 46.152,1136 45.876,1137 59.574,1138 4.682,1139 123.457,1140 43.932,1141 5.81,1142 6.683,1143 7.041,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 18.773,1151 1.429,1152 1.5,1153 1.472,1154 1.442,1155 1.434,1156 1.862,1157 0.146,1158 3.858,1159 1.373,1160 4.079,1161 4.082,1162 4.735,1163 4.064,1164 7.717,1165 3.976,1166 4.019,1167 4.036,1168 3.973,1169 3.871,1170 7.475,1171 3.881,1172 3.835,1173 3.886,1174 3.923,1175 3.715,1176 7.47,1177 3.706,1178 3.679,1179 3.711,1180 3.706,1181 3.587,1182 6.999,1183 3.532,1184 3.538,1185 3.567,1186 3.447,1187 3.394,1188 6.351,1189 3.361,1190 3.502,1191 3.534,1192 3.37,1193 3.328,1194 4.928,1195 3.327,1196 3.253,1197 3.294,1198 3.172,1199 3.048,1200 4.624,1201 3.049,1202 3.045,1203 3.102,1204 3.118,1205 2.77,1206 4.278,1207 2.805,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.073,1217 7.293,1218 0.388,1219 4.291,1220 0.096,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.956,1227 1.965,1228 2.1,1229 2.133,1230 1.48,1231 2.109,1232 1.946,1233 1.907,1234 2.02,1235 2.027,1236 1.263,1237 2.067,1238 1.831,1239 1.781,1240 1.954,1241 1.976,1242 1.178,1243 2,1244 1.627,1245 1.582,1246 1.861,1247 1.81,1248 1.117,1249 1.833,1250 1.481,1251 1.432,1252 1.733,1253 1.707,1254 0.938,1255 1.712,1256 1.415,1257 1.416,1258 1.544,1259 1.595,1260 0.809,1261 1.629,1262 1.188,1263 1.145,1264 1.328,1265 1.414,1266 0.587,1267 1.431,1268 0.955,1269 0.884,1270 1.181,1271 1.243,1272 0.461,1273 1.243,1274 4.174,1276 5.451,1278 6.897,1280 8.422,1282 9.991,1285 5.793,1289 8.998,1290 5.88,1291 2.592,1294 0.257,1300 37.007,1301 101.815,1302 212.683,1303 275.884,1304 322.413,1305 326.413,1306 326.413,1307 117.469,1308 6.758,1309 108.93,1310 117.31,1311 12,1312 12.119,1313 4.087,1314 3.459,1315 73.194,1316 157,1317 151,1318 0.213,1319 239.557,1320 423.83,1321 576.279,1322 7916,1323 1.7,1324 22.692,1325 0.732,1326 0.611,1327 23.442,1328 18.946,1329 14.759,1330 0.461,1331 0.383,1332 10.457,1333 13.159,1334 10.11,1335 8.399,1336 15.869,1337 12.269,1338 13.451,1339 0.32,1340 0.234,1341 15.182,1342 9.814,1343 9.477,1344 0.206,1345 0.149,1346 10.873,1347 6.865,1348 6.955,1349 0.136,1350 0.091,1351 7.988,1352 4.666,1353 5.247,1354 0.09,1355 0.058,1356 6.208,1357 3.38,1358 0.349,1359 103.795,1360 0.221,1361 30.14,1362 0.545,1363 148,1364 498.134,1365 214.375,1366 524.658,1367 666.32,1368 476,1369 162,1370 411.16,1371 227.634,1372 456.579,1373 646.44,1374 426,1375 8.523} {0 CHEMBL136738,1 1.527,2 14.939,3 5.196,4 27.002,5 129.795,6 7.21,7 0.486,8 4.233,9 4.342,10 3.888,11 3.824,12 5.257,13 3.756,14 4.793,15 4.96,16 4.132,17 4.213,18 6.006,19 4.108,20 5.114,21 5.344,22 4.139,23 4.365,24 6.06,25 4.213,26 5.186,27 5.436,28 4.052,29 4.333,30 6.116,31 4.164,32 5.157,33 5.417,34 4.031,35 4.285,36 6.065,37 4.115,38 5.147,39 5.4,40 3.989,41 4.235,42 6.127,43 4.079,44 5.105,45 5.356,46 3.936,47 4.193,48 6.091,49 4.043,50 5.052,51 5.304,52 3.908,53 4.165,54 6.013,55 4.008,56 0.099,57 0.903,58 17.305,59 6.874,60 20.013,61 8.652,62 0.407,63 1.465,64 28.217,65 11.637,66 80.52,67 15.174,68 0.31,69 1.876,70 43.157,71 16.219,72 71.491,73 21.051,74 0.459,75 1.935,76 46.667,77 16.493,78 95.112,79 21.692,80 0.387,81 1.865,82 45.657,83 16.22,84 82.132,85 21.42,86 0.486,87 1.805,88 45.962,89 15.57,90 102.531,91 20.273,92 0.517,93 1.736,94 42.594,95 14.287,96 104.936,97 18.877,98 0.463,99 1.682,100 42.014,101 13.986,102 87.834,103 18.261,104 20,105 46,106 0.243,107 0.539,108 0.721,109 0.872,110 0.893,111 0.903,112 3.531,113 1.115,114 -4.39,115 -4.32,116 -4.07,118 40,120 8,121 1,124 1,140 9,141 3,142 1,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 2,180 23,181 1,186 7,191 4,194 21,195 1,198 8,203 4,206 14,207 2,210 9,215 5,218 11,219 2,222 9,227 6,229 10,230 2,234 8,239 5,242 11,243 1,247 7,252 2,253 1,255 11,256 1,259 6,260 1,262 1,263 1,264 2,267 12,268 1,270 2149,271 22.128,272 22.128,273 22.128,274 22.128,275 22.128,276 19.641,277 11.237,278 13.607,279 22.369,280 17.316,281 17.316,282 17.316,283 17.316,284 17.316,285 13.58,286 4.677,287 6.514,288 17.708,289 4.496,290 2.628,291 1.482,292 0.535,293 0.4,294 0.338,295 4.215,299 1,300 1,301 1042,302 4.899,306 360.499,310 186.999,313 2.07,314 39.505,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71,326 493,327 4.856,328 4.685,329 7.298,330 4.307,331 3.386,332 4.73,333 2.341,334 12.435,335 3.097,336 4.336,337 3.597,338 6.149,339 3.825,340 2.829,341 4.234,343 9.082,344 2.807,345 3.898,346 2.846,347 5.37,348 3.558,349 2.562,350 3.444,352 7.047,353 2.552,354 3.612,355 2.725,356 5.313,357 3.471,358 2.476,359 2.74,361 6.896,362 2.46,363 3.391,364 2.465,365 4.875,366 3.141,367 2.135,368 2.58,370 5.135,371 2.121,372 3.249,373 1.942,374 4.611,375 2.777,376 1.793,377 2.427,379 5.056,380 1.762,381 3.118,382 1.643,383 4.409,384 2.618,385 1.618,386 2.427,388 4.31,389 1.618,390 2.936,391 1.618,392 3.755,393 2.599,394 1.609,395 2.101,397 3.366,398 1.593,399 2.848,400 1.598,401 3.671,402 2.502,403 1.53,404 2.007,406 3.204,407 1.485,408 2.651,409 1.38,410 3.611,411 2.337,412 1.34,413 1.647,415 2.958,416 1.334,417 2.5,418 1.189,419 3.365,420 2.085,421 1.095,422 1.5,424 2.37,425 1.083,426 2.215,427 1.086,428 3.262,429 1.956,430 1,431 1.193,433 2.136,434 0.953,435 2.158,436 1,437 3.247,438 1.82,439 0.841,440 0.993,442 1.822,443 0.819,444 1.92,445 0.807,446 3.142,447 1.653,448 0.655,449 0.867,451 1.529,452 0.653,453 1.544,454 0.677,455 2.869,456 1.412,457 0.418,458 0.447,460 0.92,461 0.412,462 15.967,463 0.484,464 0.735,465 0.022,466 39.75,467 1.205,468 20.5,469 0.621,470 19.25,471 0.583,472 31.583,473 0.957,474 36.833,475 0.567,476 29.613,477 0.897,478 7.179,479 0.218,480 8.759,481 0.265,482 0.084,483 0.052,484 0.188,487 0.585,488 1.244,489 0.891,490 1.214,491 0.665,492 1.03,493 0.459,494 1.147,495 0.951,496 1.114,497 0.428,498 1.129,499 0.802,500 1.068,501 1.062,502 1.095,503 0.763,504 1.046,505 1.017,506 0.984,507 1.058,508 1.003,509 1.01,510 1.024,511 0.891,512 0.993,513 0.982,514 1.006,515 0.895,516 0.986,517 1.181,518 0.98,519 1.064,520 0.991,521 1.17,522 0.965,523 1.299,524 0.944,525 1.03,526 0.911,527 1.285,528 0.969,529 1.191,530 0.96,531 1.138,532 0.996,533 1.135,534 0.983,535 6.5,536 0.19,537 3.333,538 1.375,539 1.307,540 0.944,541 0.469,542 0.333,543 0.329,544 0.222,545 17679,546 47654,547 2.022,548 49.2,549 13,550 11,552 2,553 2,554 2,555 2,558 1.75,559 1.913,560 3.849,561 0.162,567 99.242,568 1.527,569 3.395,570 4.541,571 5.488,572 5.622,573 5.684,574 3.227,575 4.62,576 5.019,577 4.044,578 2135.15,579 8.773,580 35336.2,585 391.454,586 1.359,587 4.979,588 0.186,589 0.006,590 0.072,591 0.031,592 0.034,593 0.025,594 0.013,595 0.01,596 0.01,597 0.007,598 0.391,599 0.17,600 0.75,601 0.98,602 180.83,603 0.059,604 -0.034,605 0.176,606 -0.008,607 -0.085,608 0.042,609 0.285,610 -0.035,611 -0.017,612 -0.064,613 0.281,614 -0.107,615 -0.036,616 -0.06,617 -0.034,618 -0.041,620 -0.027,621 -0.095,622 -0.012,623 -0.055,624 -0.013,625 -0.075,626 -0.036,627 -0.027,628 -0.037,629 0.026,630 -0.012,631 -0.023,632 0.009,633 -0.098,634 -0.032,635 -0.029,636 -0.007,637 -0.072,638 0.01,639 -0.155,640 0.011,641 -0.061,642 0.022,643 -0.144,644 -0.013,645 -0.134,646 0.024,647 -0.084,648 -0.004,649 -0.121,650 -0.013,651 4.469,652 5.645,653 0.485,654 40.004,655 0.998,656 1.123,657 3.157,658 9.966,659 0.66,660 3.584,661 3.85,662 4.007,663 4.159,664 4.357,665 4.331,666 4.382,667 4.382,668 4.419,669 4.263,670 8.874,671 0.615,672 468.67,673 3.584,674 5.094,675 5.894,676 6.735,677 7.556,678 8.403,679 9.236,680 10.087,681 10.927,682 11.782,683 3.1,685 1,693 1,698 2,699 11,700 1,704 2,706 17,724 65,726 20,727 2,728 35,730 67,731 26,733 15,734 3,735 7,739 3,740 4,751 8,753 16,754 10,755 1,756 3,760 1,761 3,765 1,772 32,773 6,774 2,775 7,776 1,779 2,784 0.667,785 4,795 1,802 3,806 1,818 1,830 1,832 2,834 1,840 33,844 1,845 1,846 9,847 1,850 1,862 6.2,864 1,865 3,869 17.25,870 11.067,871 7.403,872 4.135,874 2.838,875 1.39,876 0.948,877 9.564,878 10.106,879 3.861,880 4.419,881 4.868,882 5.364,883 5.926,884 6.13,885 6.487,886 6.708,887 7.007,888 6.648,889 0.9,890 45,891 12.494,893 5.442,894 7.881,895 23.662,897 19.569,899 2.381,900 78.583,904 353.133,905 142.363,906 33.191,908 112.141,910 5.807,911 136.555,912 465.274,913 33.191,915 22.382,916 107.499,917 153.379,918 27.977,920 329.591,922 353.133,923 169.746,924 112.141,925 5.807,927 329.591,928 135.683,931 56.882,932 96.078,933 22.593,935 353.133,936 145.332,937 142.363,939 5.807,940 353.133,941 33.174,942 103.381,943 16.405,944 128.927,945 353.133,946 145.332,947 142.363,949 0.567,950 0.307,951 0.153,952 0.086,953 18,954 8,955 0.209,956 14,957 1,958 1.125,959 4.591,960 270.529,961 0.125,962 16,963 164.465,967 1,968 25.046,969 12.601,970 8.363,971 1.903,972 145.332,973 20.44,974 4.135,978 1.466,980 59.088,981 640.827,982 46.5,986 -3.552,987 36.307,991 -0.768,994 64.843,995 72.982,996 0.254,997 0.564,998 0.754,999 0.911,1000 0.934,1001 0.944,1002 5.064,1003 1.609,1004 5.866,1005 4.31,1006 4.533,1007 5.106,1008 2.258,1009 6.627,1010 4.486,1011 6.26,1012 1.53,1013 7.399,1014 3.366,1015 4.111,1016 5.066,1017 2.243,1018 7.743,1019 3.981,1020 7.576,1021 1.34,1022 9.056,1023 3.204,1024 6.116,1025 7.368,1026 3.628,1027 10.733,1028 5.988,1029 8.939,1030 1.095,1031 10.797,1032 2.958,1033 6.567,1034 8.216,1035 4.112,1036 12.775,1037 6.315,1038 10.346,1039 1,1040 12.598,1041 2.37,1042 8.05,1043 10.035,1044 5.201,1045 15.39,1046 7.792,1047 11.787,1048 0.841,1049 14.443,1050 2.136,1051 8.91,1052 11.269,1053 5.889,1054 17.748,1055 8.513,1056 13.254,1057 0.655,1058 16.321,1059 1.822,1060 10.198,1061 12.912,1062 6.849,1063 20.281,1064 9.767,1065 3.386,1066 0.418,1067 18.223,1068 1.529,1069 11.248,1070 14.314,1071 7.625,1072 22.743,1073 10.682,1074 2.829,1075 12.435,1076 20.144,1077 0.92,1078 12.47,1079 15.888,1080 8.526,1081 25.26,1082 11.841,1083 2.562,1084 9.082,1085 22.079,1086 4.73,1087 13.606,1088 17.364,1089 9.342,1090 27.757,1091 12.853,1092 2.476,1093 7.047,1094 24.026,1095 4.234,1096 14.809,1097 18.913,1098 10.216,1099 30.273,1100 13.975,1101 2.135,1102 6.896,1103 25.981,1104 3.444,1105 15.985,1106 20.422,1107 11.051,1108 32.784,1109 15.035,1110 1.793,1111 5.135,1112 27.942,1113 2.74,1114 17.188,1115 21.963,1116 11.912,1117 35.301,1118 16.145,1119 1.618,1120 5.056,1121 29.909,1122 2.58,1123 18.383,1124 23.489,1125 12.755,1126 37.817,1127 17.23,1128 17072,1129 28216,1130 23.227,1131 42.898,1132 50.606,1133 51.963,1134 51.205,1135 50.636,1136 50.574,1137 66.674,1138 4.682,1139 136.531,1140 49.499,1141 5.822,1142 6.685,1143 7.1,1144 5.357,1145 5.386,1146 7.73,1147 3.925,1148 19.688,1149 5.097,1150 15.627,1151 1.446,1152 1.485,1153 1.463,1154 1.447,1155 1.445,1156 1.905,1157 0.134,1158 3.901,1159 1.414,1160 4.148,1161 4.146,1162 4.737,1163 4.133,1164 7.717,1165 4.085,1166 3.923,1167 3.969,1168 3.967,1169 3.828,1170 7.474,1171 3.822,1172 3.863,1173 3.878,1174 3.836,1175 3.811,1176 6.999,1177 3.731,1178 3.795,1179 3.815,1180 3.688,1181 3.692,1182 6.351,1183 3.672,1184 3.567,1185 3.608,1186 3.446,1187 3.418,1188 4.903,1189 3.404,1190 3.485,1191 3.537,1192 3.339,1193 3.312,1194 4.877,1195 3.311,1196 3.324,1197 3.373,1198 3.25,1199 3.218,1200 4.284,1201 3.189,1202 3.208,1203 3.247,1204 3.07,1205 3.031,1206 4.236,1207 3.023,1208 0.139,1209 0.134,1210 0.209,1211 0.123,1212 0.097,1213 4.856,1214 0.135,1215 4.685,1216 0.067,1217 7.298,1218 0.355,1219 4.307,1220 0.088,1221 3.386,1222 4.73,1223 2.341,1224 12.435,1225 3.097,1226 2.092,1227 2.085,1228 2.148,1229 2.139,1230 1.479,1231 2.163,1232 1.9,1233 1.857,1234 2.089,1235 2.028,1236 1.319,1237 2.05,1238 1.814,1239 1.773,1240 1.982,1241 1.954,1242 1.243,1243 1.971,1244 1.708,1245 1.713,1246 1.858,1247 1.857,1248 1.138,1249 1.889,1250 1.55,1251 1.503,1252 1.716,1253 1.706,1254 0.908,1255 1.735,1256 1.462,1257 1.409,1258 1.643,1259 1.664,1260 0.873,1261 1.685,1262 1.293,1263 1.255,1264 1.535,1265 1.489,1266 0.748,1267 1.512,1268 1.158,1269 1.121,1270 1.324,1271 1.361,1272 0.541,1273 1.385,1274 4.263,1276 5.541,1278 7.006,1280 8.558,1282 10.159,1289 9.054,1290 6.57,1291 2.7,1294 0.329,1300 39.991,1301 99.242,1302 220.65,1303 295.15,1304 356.699,1305 365.454,1306 369.454,1307 93.286,1308 7.268,1309 96.36,1310 104.74,1311 18,1312 12.34,1313 4.392,1314 3.644,1315 64.497,1316 179,1317 157,1318 0.168,1319 252.349,1320 440.49,1321 607.492,1322 15980,1324 23.52,1325 0.713,1326 0.595,1327 23.77,1328 19.636,1329 15.937,1330 0.455,1331 0.372,1332 11.568,1333 14.749,1334 11.208,1335 9.331,1336 16.759,1337 13.014,1338 14.175,1339 0.308,1340 0.222,1341 15.498,1342 10.221,1343 10.68,1344 0.198,1345 0.137,1346 11.774,1347 7.388,1348 8.151,1349 0.129,1350 0.082,1351 9.015,1352 5.193,1353 6.579,1354 0.085,1355 0.049,1356 7.371,1357 3.773,1358 0.277,1359 106.918,1360 0.207,1361 31.717,1362 0.429,1363 162,1364 466.195,1365 210.391,1366 473.166,1367 624.5,1368 434,1369 181,1370 411.319,1371 234.215,1372 454.615,1373 649.01,1374 426,1375 8.824} {0 CHEMBL136762,1 1.662,2 14.067,3 4.493,4 20.191,5 113.561,6 7.4,7 0.387,8 4.136,9 4.246,10 3.809,11 3.688,12 5.203,13 3.628,14 4.7,15 4.87,16 4.042,17 4.059,18 5.987,19 3.962,20 5.022,21 5.259,22 4.031,23 4.197,24 6.047,25 4.051,26 5.081,27 5.337,28 3.906,29 4.158,30 6.075,31 3.999,32 5.05,33 5.314,34 3.883,35 4.123,36 5.956,37 3.965,38 5.054,39 5.314,40 3.865,41 4.102,42 6.2,43 3.946,44 5.003,45 5.266,46 3.804,47 4.074,48 5.938,49 3.914,50 4.961,51 5.216,52 3.84,53 4.037,54 5.967,55 3.89,56 0.114,57 0.894,58 15.697,59 6.263,60 25.336,61 7.685,62 0.439,63 1.403,64 25.89,65 10.463,66 87.801,67 13.345,68 0.482,69 1.736,70 40.902,71 14.242,72 98.047,73 18.166,74 0.652,75 1.687,76 43.886,77 14.088,78 127.084,79 18.507,80 0.575,81 1.605,82 41.715,83 13.627,84 113.426,85 18.44,86 0.904,87 1.599,88 40.98,89 13.38,90 178.099,91 18.266,92 0.583,93 1.528,94 38.403,95 12.746,96 114.44,97 17.284,98 0.596,99 1.511,100 39.539,101 12.334,102 110.99,103 16.083,104 29,105 40,106 0.272,107 0.57,108 0.745,109 0.874,110 0.885,111 0.885,112 3.439,113 1.133,114 -4.07,115 -4.02,116 -3.81,118 37.3,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 13,181 1,186 7,191 4,194 13,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 5,227 4,229 10,230 2,234 6,239 4,242 9,243 1,247 7,252 2,253 1,255 7,256 1,259 6,260 1,262 1,263 1,264 2,267 7,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 12.864,278 12.194,279 20.07,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 5.34,287 5.838,288 15.832,289 4.22,290 2.402,291 1.331,292 0.542,293 0.475,294 0.475,295 4.106,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 46.825,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 66.5,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 3.898,337 3.597,338 5.37,339 3.558,340 2.562,341 3.444,343 7.047,344 2.552,345 3.835,346 2.875,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.612,355 2.725,356 5.149,357 3.352,358 2.401,359 2.74,361 6.32,362 2.273,363 3.391,364 2.465,365 4.733,366 3.141,367 2.135,368 2.427,370 5.057,371 2.121,372 3.085,373 1.964,374 4.611,375 2.698,376 1.732,377 2.292,379 4.77,380 1.666,381 2.936,382 1.643,383 3.745,384 2.545,385 1.572,386 2.101,388 3.356,389 1.522,390 2.651,391 1.592,392 3.665,393 2.481,394 1.504,395 1.647,397 3.199,398 1.464,399 2.5,400 1.19,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.083,408 2.5,409 1.113,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.815,430 0.838,431 0.877,433 1.81,434 0.815,435 1.544,436 0.817,437 2.861,438 1.414,439 0.42,440 0.448,442 0.924,443 0.414,444 1.12,445 0.555,446 2.693,447 0.948,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.361,455 2.543,456 0.678,457 -0.222,458 -0.273,460 -0.488,461 -0.192,462 14.252,463 0.475,464 0.721,465 0.024,466 34,467 1.133,468 16.5,469 0.55,470 17.5,471 0.583,472 28.863,473 0.962,474 34.948,475 0.592,476 25.326,477 0.844,478 6.176,479 0.206,480 8.189,481 0.273,482 0.114,483 0.058,484 0.175,486 1,487 0.568,488 1.22,489 0.87,490 1.294,491 0.629,492 1.081,493 0.484,494 1.141,495 0.922,496 1.171,497 0.445,498 1.178,499 0.831,500 1.052,501 1.066,502 1.12,503 0.787,504 1.066,505 0.943,506 0.896,507 1.078,508 1.011,509 0.925,510 1.024,511 0.727,512 0.834,513 0.875,514 0.965,515 0.772,516 0.991,517 0.711,518 0.794,519 0.866,520 0.897,521 0.729,522 0.978,523 0.856,524 0.834,525 0.889,526 0.883,527 0.851,528 0.98,529 0.994,530 0.892,531 1.095,532 0.993,533 0.951,534 0.972,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 41766,547 1.951,548 49.2,549 13,550 8,552 2,553 2,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.243,563 1,567 98.087,568 1.662,569 3.48,570 4.552,571 5.34,572 5.408,573 5.408,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,584 1,585 347.076,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.032,604 -0.056,605 0.17,606 -0.025,607 -0.067,608 0.029,609 0.211,610 -0.095,611 -0.008,612 -0.098,613 0.234,614 -0.136,615 -0.049,616 -0.087,617 -0.039,618 -0.061,619 -0.006,620 -0.042,621 -0.099,622 -0.019,623 -0.081,624 -0.029,625 -0.063,626 -0.035,627 -0.017,628 -0.048,629 0.033,630 -0.03,631 -0.045,632 0.004,633 0.134,634 0.048,635 0.024,636 0.013,637 0.12,638 0.003,639 -0.072,640 -0.013,641 -0.003,642 0.027,643 -0.085,644 0.003,645 -0.108,646 0.009,647 -0.06,648 0.001,649 -0.097,650 0.01,651 4.561,652 5.19,653 0.4,654 34.133,655 1.008,656 1.134,657 2.841,658 8.073,659 0.645,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.608,672 436.6,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 59,726 15,727 1,728 31,730 60,731 22,733 11,734 2,735 4,739 2,740 2,751 8,753 12,754 10,755 1,756 3,760 1,761 3,765 1,769 1,770 1,772 29,773 7,774 2,775 8,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,838 1,840 30,844 1,845 1,846 9,847 1,850 1,861 1,862 6.8,864 1,865 3,869 16.417,870 9.96,871 6.792,872 3.719,874 1.666,875 1.25,876 0.921,877 10.091,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.403,893 4.982,894 8.131,895 21.12,897 17.147,899 2.631,900 78.917,903 1,904 317.82,905 117.909,906 33.191,908 112.141,909 14.96,910 5.807,911 112.101,912 429.961,913 48.151,915 22.382,916 79.07,917 153.379,918 31.952,919 14.96,920 294.278,922 317.82,923 145.292,924 127.101,925 5.807,927 309.238,928 135.683,931 56.882,932 71.625,933 22.593,935 332.78,936 145.332,937 117.909,939 5.807,940 317.82,941 37.149,942 74.952,943 16.405,944 143.887,945 317.82,946 160.292,947 117.909,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.233,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.142,969 12.539,970 9.494,972 160.292,973 12.24,974 4.106,978 0.73,980 59.088,981 596.021,982 40,986 -3.644,987 35.313,991 -0.792,994 59.472,995 66.907,996 0.283,997 0.592,998 0.774,999 0.908,1000 0.919,1001 0.919,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.258,1009 6.447,1010 4.325,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.823,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.628,1027 10.542,1028 5.787,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.095,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.201,1045 15.247,1046 7.548,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.245,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.486,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.384,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.535,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.536,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.654,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.709,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.817,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.9,1128 12899,1129 23438,1130 20.049,1131 38.074,1132 44.316,1133 45.986,1134 45.114,1135 44.37,1136 44.219,1137 56.516,1138 4.682,1139 117.127,1140 42.771,1141 5.81,1142 6.683,1143 7.095,1144 5.333,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.063,1150 16.666,1151 1.43,1152 1.483,1153 1.455,1154 1.431,1155 1.426,1156 1.823,1157 0.151,1158 3.778,1159 1.38,1160 4.076,1161 4.06,1162 4.735,1163 4.059,1164 8.201,1165 3.971,1166 3.92,1167 3.962,1168 3.837,1169 3.825,1170 7.717,1171 3.819,1172 3.807,1173 3.857,1174 3.724,1175 3.697,1176 7.474,1177 3.688,1178 3.681,1179 3.714,1180 3.688,1181 3.565,1182 6.999,1183 3.522,1184 3.537,1185 3.555,1186 3.443,1187 3.388,1188 6.351,1189 3.358,1190 3.473,1191 3.521,1192 3.333,1193 3.311,1194 4.896,1195 3.304,1196 3.223,1197 3.273,1198 3.073,1199 3.035,1200 4.586,1201 3.03,1202 2.95,1203 3.027,1204 2.754,1205 2.757,1206 4.241,1207 2.737,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.953,1227 1.962,1228 2.09,1229 2.04,1230 1.479,1231 2.074,1232 1.898,1233 1.856,1234 1.985,1235 2.017,1236 1.257,1237 2.04,1238 1.808,1239 1.761,1240 1.962,1241 1.946,1242 1.165,1243 1.96,1244 1.623,1245 1.577,1246 1.854,1247 1.811,1248 1.108,1249 1.83,1250 1.463,1251 1.425,1252 1.716,1253 1.681,1254 0.896,1255 1.688,1256 1.409,1257 1.398,1258 1.541,1259 1.592,1260 0.794,1261 1.628,1262 1.178,1263 1.132,1264 1.324,1265 1.4,1266 0.571,1267 1.422,1268 0.942,1269 0.865,1270 1.181,1271 1.194,1272 0.448,1273 1.222,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1286 12.945,1289 8.982,1290 6.208,1291 2.532,1294 0.298,1300 35.848,1301 98.087,1302 205.346,1303 268.547,1304 315.076,1305 319.076,1306 319.076,1307 113.066,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 228.426,1320 405.9,1321 549.12,1322 7051,1323 1.7,1324 21.822,1325 0.727,1326 0.593,1327 21.202,1328 17.782,1329 14.365,1330 0.463,1331 0.378,1332 10.237,1333 13.059,1334 9.934,1335 8.263,1336 14.792,1337 11.709,1338 12.817,1339 0.32,1340 0.229,1341 13.518,1342 9.166,1343 9.156,1344 0.208,1345 0.148,1346 9.853,1347 6.499,1348 6.609,1349 0.138,1350 0.092,1351 7.337,1352 4.437,1353 5.081,1354 0.092,1355 0.056,1356 5.617,1357 3.092,1358 0.35,1359 98.349,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 510.306,1365 194.222,1366 482.773,1367 616.99,1368 440,1369 155,1370 390.653,1371 211.126,1372 423.957,1373 601.52,1374 396,1375 9} {0 CHEMBL136845,1 1.689,2 12.69,3 4.496,4 20.215,5 113.549,6 7.84,7 0.4,8 4.085,9 4.189,10 3.814,11 3.667,12 5.136,13 3.599,14 4.644,15 4.806,16 4.067,17 4.045,18 5.923,19 3.938,20 4.961,21 5.186,22 4.059,23 4.188,24 5.959,25 4.029,26 5.025,27 5.272,28 3.911,29 4.134,30 6.015,31 3.968,32 4.994,33 5.253,34 3.92,35 4.104,36 5.897,37 3.935,38 4.985,39 5.243,40 4.007,41 4.11,42 5.973,43 3.952,44 4.988,45 5.24,46 3.897,47 4.103,48 5.941,49 3.94,50 4.952,51 5.186,52 3.885,53 4.047,54 6.018,55 3.9,56 0.109,57 0.778,58 14.311,59 5.854,60 22.659,61 7.151,62 0.424,63 1.228,64 24.208,65 9.921,66 83.134,67 12.619,68 0.421,69 1.529,70 41.157,71 14.046,72 82.072,73 17.618,74 0.591,75 1.558,76 44.207,77 14.005,78 108.929,79 17.873,80 0.557,81 1.507,82 42.916,83 13.547,84 105.205,85 17.635,86 0.616,87 1.505,88 40.487,89 13.207,90 105.195,91 17.73,92 0.545,93 1.522,94 41.953,95 13.434,96 98.213,97 17.273,98 0.636,99 1.429,100 41.681,101 12.68,102 116.735,103 15.737,104 30,105 39,106 0.279,107 0.587,108 0.758,109 0.872,110 0.884,111 0.884,112 3.407,113 1.159,114 -3.96,115 -3.92,116 -3.71,118 37.5,120 7,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 3,175 3,177 2,180 14,181 1,186 7,191 4,194 14,195 1,198 8,203 4,206 9,207 1,210 4,215 3,218 9,219 2,222 8,227 5,229 9,230 2,234 8,239 4,242 7,243 1,247 6,252 2,253 1,255 8,256 1,259 5,260 1,262 2,263 1,264 2,267 9,268 1,270 1640,271 19.059,272 19.059,273 19.059,274 19.059,275 19.059,276 17.062,277 12.838,278 11.694,279 19.436,280 14.811,281 14.811,282 14.811,283 14.811,284 14.811,285 11.84,286 5.318,287 5.591,288 15.483,289 4.118,290 2.261,291 1.227,292 0.536,293 0.464,294 0.464,295 4.073,297 1,299 1,300 1,301 752,302 4.743,306 245.22,313 1.791,314 40.537,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63.333,326 368,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.904,337 3.596,338 5.419,339 3.588,340 2.593,341 3.445,343 7.188,344 2.582,345 3.835,346 2.898,347 5.244,348 3.401,349 2.41,350 3.393,352 6.7,353 2.39,354 3.57,355 2.748,356 5.149,357 3.312,358 2.396,359 2.717,361 6.32,362 2.182,363 3.442,364 2.431,365 4.732,366 3.2,367 2.195,368 2.473,370 5.156,371 2.156,372 3.083,373 1.942,374 4.649,375 2.626,376 1.687,377 2.291,379 4.768,380 1.538,381 2.914,382 1.595,383 3.675,384 2.478,385 1.513,386 2.075,388 3.187,389 1.449,390 2.515,391 1.529,392 3.618,393 2.384,394 1.406,395 1.503,397 3.022,398 1.35,399 2.5,400 1.337,401 3.414,402 2.074,403 1.077,404 1.5,406 2.282,407 1.067,408 2.5,409 1,410 3.295,411 2,412 1,413 1.5,415 2.275,416 1,417 2.184,418 1,419 3.247,420 1.956,421 1,422 1.145,424 2.136,425 0.954,426 1.747,427 0.795,428 3.173,429 1.613,430 0.633,431 0.685,433 1.437,434 0.618,435 1.366,436 0.68,437 2.816,438 1.237,439 0.26,440 0.276,442 0.585,443 0.252,444 1.119,445 0.534,446 2.607,447 0.695,448 -0.217,449 -0.264,451 -0.477,452 -0.144,453 1,454 0.312,455 2.25,456 0.589,457 -0.314,458 -0.344,460 -0.722,461 -0.306,462 14.181,463 0.489,464 0.721,465 0.025,466 33.5,467 1.155,468 16.5,469 0.569,470 17,471 0.586,472 27.88,473 0.961,474 33.219,475 0.593,476 24.418,477 0.842,478 6.045,479 0.208,480 7.82,481 0.27,482 0.144,483 0.059,484 0.176,487 0.585,488 1.33,489 0.765,490 1.207,491 0.667,492 1.023,493 0.473,494 1.2,495 0.818,496 1.078,497 0.43,498 1.119,499 0.842,500 1.108,501 1.031,502 1.109,503 0.791,504 1.065,505 1.025,506 0.993,507 1.003,508 1.009,509 1.015,510 1.022,511 0.874,512 0.941,513 0.709,514 0.853,515 0.946,516 0.944,517 0.616,518 0.967,519 0.701,520 0.913,521 0.662,522 0.964,523 0.952,524 0.977,525 0.926,526 0.974,527 0.932,528 0.977,529 1.289,530 0.99,531 1.076,532 0.993,533 1.329,534 0.998,535 6.5,536 0.264,537 3.111,538 1.313,539 0.893,540 0.75,541 0.388,542 0.349,543 0.296,544 0.227,545 11186,546 37559,547 1.949,548 48.2,549 11,550 8,552 2,553 2,554 2,555 2,558 1.72,559 1.822,560 3.609,561 0.262,563 1,567 94.591,568 1.689,569 3.547,570 4.58,571 5.272,572 5.343,573 5.343,574 3.01,575 4.444,576 4.83,577 3.807,578 1545.77,579 8.417,580 23012.7,582 1,584 1,585 325.212,586 1.469,587 4.777,588 0.217,589 0.009,590 0.08,591 0.035,592 0.028,593 0.024,594 0.012,595 0.011,596 0.01,597 0.007,598 0.432,599 0.33,600 0.88,601 1.275,602 151.374,603 0.04,604 -0.067,605 0.132,606 -0.029,607 -0.086,608 0.029,609 0.256,610 -0.063,611 0.005,612 -0.059,613 0.283,614 -0.114,615 -0.057,616 -0.1,617 -0.05,618 -0.063,619 -0.009,620 -0.049,621 -0.118,622 -0.025,623 -0.085,624 -0.037,625 -0.071,626 -0.043,627 -0.059,628 0.006,629 0.073,630 0.063,631 -0.082,632 0.033,633 0.129,634 -0.018,635 0.122,636 -0.004,637 0.061,638 0.024,639 -0.092,640 0.001,641 -0.04,642 -0.005,643 -0.089,644 0.002,645 -0.195,646 -0.019,647 -0.119,648 -0.016,649 -0.189,650 -0.039,651 4.47,652 5.319,653 0.414,654 31.291,655 1.007,656 1.127,657 2.733,658 7.471,659 0.665,660 3.434,661 3.689,662 3.784,663 3.871,664 4.007,665 3.97,666 3.892,667 3.829,668 3.871,669 3.871,670 7.732,671 0.621,672 439.02,673 3.434,674 4.934,675 5.714,676 6.541,677 7.34,678 8.172,679 8.98,680 9.816,681 10.63,682 11.469,683 3.6,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 56,726 15,727 1,728 30,730 57,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 9,755 1,756 3,760 1,761 3,765 1,769 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 29,844 1,845 1,846 8,847 1,850 1,861 1,862 7.1,864 1,865 3,869 15.917,870 9.46,871 6.542,872 3.469,874 1.693,875 1.256,876 0.923,877 9.755,878 8.31,879 3.689,880 4.205,881 4.533,882 4.905,883 5.332,884 5.284,885 5.214,886 4.892,887 5.037,888 5.116,889 1,890 37,891 10.971,893 4.75,894 8.035,895 20.443,897 16.589,899 2.535,900 73.528,903 1,904 294.278,905 109.754,906 33.191,907 39.149,908 112.141,910 5.807,911 103.947,912 445.567,913 33.191,915 19.847,916 79.07,917 153.379,918 26.332,920 270.735,921 39.149,922 294.278,923 137.137,924 112.141,925 44.956,927 270.735,928 135.683,931 54.347,932 66.004,933 61.742,935 294.278,936 145.332,937 148.903,939 5.807,940 294.278,941 28.994,942 74.952,943 16.405,944 168.075,945 294.278,946 145.332,947 148.903,949 0.568,950 0.297,951 0.139,952 0.075,953 14,954 7,955 0.228,956 13,958 1,959 4.153,960 219.829,962 12,963 134.881,967 1,968 23.499,969 12.039,970 9.053,972 145.332,973 13.567,974 4.122,978 1.831,980 59.088,981 588.512,982 39,986 -3.553,987 35.432,991 -0.785,994 56.4,995 63.096,996 0.291,997 0.611,998 0.789,999 0.908,1000 0.92,1001 0.92,1002 4.89,1003 1.406,1004 5.694,1005 3.187,1006 4.369,1007 4.89,1008 2.258,1009 6.435,1010 4.281,1011 6.081,1012 1.077,1013 7.222,1014 3.022,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.393,1021 1,1022 8.875,1023 2.282,1024 5.948,1025 7.095,1026 3.628,1027 10.54,1028 5.745,1029 8.752,1030 1,1031 10.615,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.059,1038 10.156,1039 0.633,1040 12.419,1041 2.136,1042 7.883,1043 9.728,1044 5.201,1045 15.247,1046 7.513,1047 11.593,1048 0.26,1049 14.271,1050 1.437,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.217,1056 13.058,1057 -0.217,1058 16.158,1059 0.585,1060 10.039,1061 12.595,1062 6.849,1063 20.185,1064 9.459,1065 3.374,1066 -0.314,1067 18.072,1068 -0.477,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.361,1074 2.593,1075 12.404,1076 20.006,1077 -0.722,1078 12.324,1079 15.578,1080 8.526,1081 25.193,1082 11.514,1083 2.41,1084 7.188,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.519,1092 2.396,1093 6.7,1094 23.913,1095 3.445,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.639,1101 2.195,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.696,1110 1.687,1111 5.156,1112 27.853,1113 2.717,1114 17.072,1115 21.684,1116 11.912,1117 35.254,1118 15.805,1119 1.513,1120 4.768,1121 29.83,1122 2.473,1123 18.273,1124 23.218,1125 12.755,1126 37.77,1127 16.889,1128 11221,1129 20783,1130 19.356,1131 37.233,1132 43.01,1133 44.643,1134 43.862,1135 43.357,1136 43.088,1137 55.397,1138 4.682,1139 114.919,1140 41.201,1141 5.804,1142 6.683,1143 7.095,1144 5.337,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.24,1151 1.434,1152 1.488,1153 1.462,1154 1.445,1155 1.436,1156 1.847,1157 0.156,1158 3.831,1159 1.373,1160 4.075,1161 4.058,1162 4.735,1163 4.064,1164 7.717,1165 3.975,1166 3.921,1167 3.96,1168 3.925,1169 3.829,1170 7.474,1171 3.822,1172 3.783,1173 3.833,1174 3.839,1175 3.671,1176 6.999,1177 3.661,1178 3.669,1179 3.695,1180 3.662,1181 3.578,1182 6.351,1183 3.519,1184 3.559,1185 3.578,1186 3.47,1187 3.401,1188 4.93,1189 3.389,1190 3.355,1191 3.399,1192 3.233,1193 3.209,1194 4.893,1195 3.184,1196 3.171,1197 3.219,1198 3.142,1199 2.958,1200 4.279,1201 2.962,1202 2.914,1203 2.982,1204 3.014,1205 2.735,1206 4.223,1207 2.715,1208 0.161,1209 0.156,1210 0.243,1211 0.143,1212 0.112,1213 4.844,1214 0.157,1215 4.683,1216 0.078,1217 7.293,1218 0.413,1219 4.291,1220 0.102,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.088,1229 2.041,1230 1.475,1231 2.075,1232 1.902,1233 1.861,1234 1.96,1235 2.006,1236 1.199,1237 2.035,1238 1.781,1239 1.734,1240 1.947,1241 1.923,1242 1.151,1243 1.937,1244 1.603,1245 1.564,1246 1.838,1247 1.797,1248 1.108,1249 1.815,1250 1.471,1251 1.456,1252 1.677,1253 1.667,1254 0.878,1255 1.685,1256 1.31,1257 1.28,1258 1.432,1259 1.477,1260 0.658,1261 1.525,1262 1.116,1263 1.067,1264 1.272,1265 1.382,1266 0.544,1267 1.381,1268 0.886,1269 0.821,1270 1.181,1271 1.15,1272 0.374,1273 1.174,1274 4.111,1276 5.38,1278 6.823,1280 8.345,1282 9.91,1285 5.803,1289 8.87,1290 5.276,1291 2.623,1294 0.342,1300 34.765,1301 94.591,1302 198.606,1303 256.483,1304 295.212,1305 299.212,1306 299.212,1307 97.669,1308 6.617,1309 96.36,1310 104.74,1311 12,1312 12.041,1313 4,1314 3.322,1315 65.474,1316 132,1317 130,1318 0.227,1319 225.968,1320 397.74,1321 543.123,1322 6234,1323 1.8,1324 21.115,1325 0.728,1326 0.615,1327 21.865,1328 17.831,1329 13.865,1330 0.462,1331 0.386,1332 9.793,1333 12.368,1334 9.443,1335 7.847,1336 14.975,1337 11.587,1338 12.463,1339 0.32,1340 0.237,1341 14.195,1342 9.249,1343 8.906,1344 0.207,1345 0.151,1346 10.302,1347 6.501,1348 6.454,1349 0.137,1350 0.093,1351 7.487,1352 4.386,1353 4.856,1354 0.09,1355 0.059,1356 5.809,1357 3.17,1358 0.368,1359 97.658,1360 0.227,1361 28.294,1362 0.595,1363 138,1364 446.398,1365 201.911,1366 478.612,1367 611.23,1368 436,1369 151,1370 370.182,1371 213.974,1372 419.795,1373 595.76,1374 392,1375 7.699} {0 CHEMBL136880,1 1.684,2 14.067,3 4.508,4 20.319,5 119.266,6 7.913,7 0.387,8 4.102,9 4.204,10 3.836,11 3.692,12 5.174,13 3.626,14 4.645,15 4.803,16 4.084,17 4.06,18 5.942,19 3.956,20 4.955,21 5.177,22 4.074,23 4.195,24 5.979,25 4.041,26 5.006,27 5.249,28 3.925,29 4.132,30 6.023,31 3.972,32 4.956,33 5.205,34 3.943,35 4.087,36 5.915,37 3.93,38 4.958,39 5.199,40 3.96,41 4.069,42 6.047,43 3.925,44 4.92,45 5.171,46 3.825,47 4.053,48 5.874,49 3.892,50 4.892,51 5.135,52 3.865,53 4.036,54 5.882,55 3.88,56 0.108,57 0.786,58 14.202,59 5.903,60 22.963,61 7.148,62 0.419,63 1.235,64 23.745,65 9.895,66 82.706,67 12.493,68 0.415,69 1.538,70 40.719,71 14.05,72 82.188,73 17.471,74 0.574,75 1.551,76 43.38,77 13.965,78 109.48,79 17.586,80 0.499,81 1.474,82 40.979,83 13.249,84 96.742,85 16.967,86 0.695,87 1.439,88 39.885,89 12.85,90 121.892,91 16.623,92 0.479,93 1.43,94 36.487,95 12.488,96 91.507,97 16.362,98 0.48,99 1.406,100 39.197,101 12.506,102 87.307,103 15.75,104 29,105 40,106 0.277,107 0.609,108 0.792,109 0.889,110 0.889,111 0.889,112 3.439,113 1.138,114 -4.1,115 -4.05,116 -3.83,118 38.6,120 6,121 1,124 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 7,191 4,194 15,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 7,227 5,229 10,230 2,234 6,239 4,242 9,243 1,247 7,252 2,253 1,255 8,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.587,277 11.625,278 12.194,279 20.143,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.083,286 3.848,287 5.838,288 15.983,289 4.149,290 2.129,291 1.009,292 0.421,293 0.421,294 0.421,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 40.649,317 1,318 0.67,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.76,325 65.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.945,337 3.597,338 5.37,339 3.558,340 2.562,341 3.509,343 7.047,344 2.552,345 3.835,346 2.898,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.616,355 2.598,356 5.149,357 3.313,358 2.401,359 2.744,361 6.32,362 2.159,363 3.409,364 2.461,365 4.733,366 3.141,367 2.135,368 2.485,370 5.057,371 2.121,372 3.086,373 1.969,374 4.611,375 2.688,376 1.732,377 2.292,379 4.77,380 1.642,381 3.046,382 1.686,383 3.745,384 2.537,385 1.572,386 2.203,388 3.356,389 1.497,390 2.671,391 1.574,392 3.665,393 2.474,394 1.504,395 1.666,397 3.199,398 1.412,399 2.538,400 1.334,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.082,408 2.5,409 1.134,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.247,420 1.956,421 1,422 1.445,424 2.136,425 0.953,426 1.924,427 1,428 3.237,429 1.815,430 0.838,431 0.88,433 1.81,434 0.813,435 1.618,436 0.841,437 2.861,438 1.413,439 0.42,440 0.472,442 0.924,443 0.414,444 1.122,445 0.563,446 2.693,447 0.947,448 -0.031,449 -0.035,451 -0.072,452 -0.03,453 1.112,454 0.354,455 2.543,456 0.637,457 -0.222,458 -0.274,460 -0.488,461 -0.15,462 14.681,463 0.489,464 0.721,465 0.024,466 35.5,467 1.183,468 18,469 0.6,470 17.5,471 0.583,472 27.646,473 0.922,474 33.919,475 0.595,476 26.544,477 0.885,478 6.627,479 0.221,480 7.738,481 0.258,482 0.139,483 0.057,484 0.17,487 0.585,488 1.299,489 0.761,490 1.186,491 0.675,492 1.004,493 0.482,494 1.193,495 0.829,496 1.078,497 0.445,498 1.117,499 0.862,500 1.096,501 1.045,502 1.104,503 0.812,504 1.055,505 1.048,506 0.98,507 1.013,508 1.003,509 1.057,510 1.006,511 0.893,512 0.962,513 0.716,514 0.891,515 0.989,516 0.959,517 0.891,518 0.943,519 0.805,520 0.933,521 0.963,522 0.985,523 0.906,524 0.964,525 0.812,526 0.889,527 0.905,528 0.987,529 0.988,530 1.003,531 1.036,532 1.033,533 0.955,534 1,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 43235,547 1.951,548 47.4,549 9,550 10,552 2,553 2,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.243,567 95.985,568 1.684,569 3.704,570 4.824,571 5.412,572 5.412,573 5.412,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.041,604 -0.063,605 0.129,606 -0.029,607 -0.094,608 0.028,609 0.257,610 -0.066,611 -0.003,612 -0.066,613 0.279,614 -0.124,615 -0.061,616 -0.09,617 -0.051,618 -0.057,619 -0.013,620 -0.042,621 -0.12,622 -0.013,623 -0.079,624 -0.022,625 -0.083,626 -0.023,627 -0.05,628 -0.01,629 0.079,630 0.038,631 -0.085,632 0.022,633 0.051,634 -0.011,635 0.046,636 -0.018,637 0.003,638 -0.009,639 -0.079,640 -0.013,641 -0.005,642 0.021,643 -0.085,644 -0.008,645 -0.099,646 -0.015,647 -0.068,648 -0.033,649 -0.094,650 -0.012,651 4.464,652 5.26,653 0.4,654 34.133,655 1.007,656 1.124,657 2.874,658 8.261,659 0.671,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.627,672 451.03,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 57,726 16,727 1,728 31,730 58,731 22,733 11,734 2,735 4,736 2,739 2,740 2,741 1,751 6,753 14,754 8,755 1,756 4,760 1,761 3,763 2,765 1,769 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,822 2,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 7,847 1,850 1,861 1,862 7,864 1,865 3,869 16.417,870 9.626,871 6.792,872 3.455,874 2.173,875 1.326,876 0.925,877 10.185,878 8.843,879 3.738,880 4.248,881 4.595,882 4.987,883 5.421,884 5.416,885 5.426,886 5.198,887 5.338,888 5.502,889 1,890 38,891 11.325,893 4.878,894 8.034,895 21.041,897 16.915,899 2.534,900 76.028,903 1,904 294.278,905 126.172,906 33.191,907 39.149,908 112.141,910 5.807,911 120.365,912 445.567,913 33.191,915 17.313,916 98.022,917 153.379,918 26.332,920 270.735,921 39.149,922 294.278,923 153.555,924 112.141,925 44.956,927 270.735,928 135.683,931 51.813,932 66.004,933 80.694,935 294.278,936 145.332,937 165.321,939 5.807,940 294.278,941 26.46,942 93.905,943 16.405,944 168.075,945 294.278,946 145.332,947 165.321,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.224,956 13,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.233,969 12.61,970 9.555,972 145.332,973 13.353,974 4.066,978 1.678,980 59.088,981 604.93,982 41,986 -3.547,987 35.451,989 4.036,991 -0.799,994 57.4,995 64.096,996 0.289,997 0.635,998 0.827,999 0.928,1000 0.928,1001 0.928,1002 4.934,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.934,1008 2.258,1009 6.447,1010 4.309,1011 6.126,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.433,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.132,1026 3.628,1027 10.542,1028 5.764,1029 8.787,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.964,1035 4.112,1036 12.635,1037 6.059,1038 10.186,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.753,1044 5.201,1045 15.247,1046 7.524,1047 11.619,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.982,1053 5.889,1054 17.644,1055 8.217,1056 13.08,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.61,1062 6.849,1063 20.185,1064 9.464,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.016,1071 7.625,1072 22.668,1073 10.361,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.587,1080 8.526,1081 25.192,1082 11.517,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.071,1089 9.342,1090 27.7,1091 12.519,1092 2.401,1093 6.896,1094 23.914,1095 3.509,1096 14.68,1097 18.623,1098 10.216,1099 30.22,1100 13.639,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.141,1107 11.051,1108 32.735,1109 14.695,1110 1.732,1111 5.057,1112 27.853,1113 2.744,1114 17.072,1115 21.688,1116 11.912,1117 35.253,1118 15.804,1119 1.572,1120 4.77,1121 29.829,1122 2.485,1123 18.272,1124 23.221,1125 12.755,1126 37.77,1127 16.888,1128 12899,1129 23817,1130 20.049,1131 38.233,1132 44.677,1133 46.163,1134 45.114,1135 44.489,1136 44.219,1137 57.57,1138 4.682,1139 117.127,1140 42.336,1141 5.804,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.441,1152 1.489,1153 1.455,1154 1.435,1155 1.426,1156 1.857,1157 0.151,1158 3.778,1159 1.366,1160 4.075,1161 4.056,1162 4.735,1163 4.064,1164 7.717,1165 3.975,1166 3.919,1167 3.956,1168 3.926,1169 3.833,1170 7.474,1171 3.828,1172 3.801,1173 3.85,1174 3.846,1175 3.691,1176 6.999,1177 3.682,1178 3.676,1179 3.706,1180 3.683,1181 3.586,1182 6.351,1183 3.53,1184 3.535,1185 3.549,1186 3.446,1187 3.392,1188 4.933,1189 3.361,1190 3.454,1191 3.492,1192 3.343,1193 3.309,1194 4.91,1195 3.307,1196 3.201,1197 3.247,1198 3.163,1199 3.028,1200 4.349,1201 3.024,1202 2.939,1203 3.008,1204 3.064,1205 2.735,1206 4.269,1207 2.715,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.074,1229 2.032,1230 1.45,1231 2.07,1232 1.897,1233 1.859,1234 1.967,1235 2.003,1236 1.218,1237 2.026,1238 1.801,1239 1.754,1240 1.95,1241 1.937,1242 1.126,1243 1.951,1244 1.621,1245 1.578,1246 1.849,1247 1.804,1248 1.02,1249 1.825,1250 1.445,1251 1.427,1252 1.666,1253 1.656,1254 0.865,1255 1.66,1256 1.402,1257 1.383,1258 1.518,1259 1.56,1260 0.74,1261 1.6,1262 1.16,1263 1.118,1264 1.27,1265 1.364,1266 0.514,1267 1.389,1268 0.912,1269 0.84,1270 1.181,1271 1.181,1272 0.373,1273 1.196,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.793,1289 8.979,1290 4.183,1291 2.597,1294 0.238,1300 35.765,1301 95.985,1302 211.142,1303 274.965,1304 308.475,1305 308.475,1306 308.475,1307 101.541,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4.087,1314 3.459,1315 69.403,1316 150,1317 140,1318 0.213,1319 232.633,1320 412.4,1321 559.385,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.609,1327 22.572,1328 18.278,1329 14.365,1330 0.463,1331 0.379,1332 9.969,1333 12.868,1334 9.612,1335 8.005,1336 15.475,1337 11.763,1338 12.817,1339 0.32,1340 0.232,1341 14.549,1342 9.274,1343 9.156,1344 0.208,1345 0.146,1346 10.552,1347 6.415,1348 6.609,1349 0.138,1350 0.088,1351 7.642,1352 4.241,1353 5.081,1354 0.092,1355 0.056,1356 6.042,1357 3.057,1358 0.35,1359 100.658,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 460.398,1365 205.911,1366 493.58,1367 631.89,1368 450,1369 155,1370 385.182,1371 217.974,1372 435.808,1373 618.1,1374 407,1375 8.155} {0 CHEMBL136904,1 1.615,2 17.031,3 6.075,4 36.91,5 127.378,6 7.402,7 0.364,8 4.221,9 4.334,10 3.888,11 3.793,12 5.224,13 3.717,14 4.795,15 4.971,16 4.133,17 4.176,18 5.991,19 4.055,20 5.122,21 5.366,22 4.149,23 4.313,24 6.063,25 4.146,26 5.172,27 5.424,28 4.004,29 4.24,30 6.173,31 4.074,32 5.112,33 5.373,34 3.971,35 4.174,36 6.052,37 4.003,38 5.066,39 5.327,40 3.952,41 4.133,42 6.065,43 3.965,44 5.015,45 5.281,46 3.753,47 4.09,48 5.898,49 3.908,50 4.966,51 5.229,52 3.749,53 4.044,54 5.884,55 3.869,56 0.093,57 0.894,58 17.329,59 6.886,60 20.196,61 8.761,62 0.402,63 1.42,64 29.43,65 11.729,66 84.705,67 15.363,68 0.34,69 1.762,70 47.607,71 16.261,72 75.419,73 21.103,74 0.596,75 1.745,76 50.178,77 15.655,78 115.728,79 20.333,80 0.569,81 1.632,82 47.587,83 14.676,84 106.292,85 19.269,86 0.664,87 1.545,88 44.47,89 13.983,90 114.728,91 18.784,92 0.458,93 1.483,94 40.654,95 13.542,96 88.051,97 18.167,98 0.457,99 1.403,100 39.876,101 12.867,102 85.994,103 17.141,104 27,105 42,106 0.259,107 0.532,108 0.68,109 0.811,110 0.863,111 0.878,112 3.501,113 1.192,114 -4.6,115 -4.52,116 -4.25,118 36.9,120 10,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 16,181 2,186 8,191 5,194 15,195 2,198 9,203 5,206 10,207 2,210 5,215 3,218 11,219 2,222 7,227 4,229 12,230 2,234 5,239 3,242 11,243 1,247 4,252 2,253 1,255 11,256 1,259 4,260 1,262 1,263 1,264 2,267 10,268 1,270 2126,271 21.233,272 21.233,273 21.233,274 21.233,275 21.233,276 19.261,277 14.051,278 13.222,279 21.61,280 16.296,281 16.296,282 16.296,283 16.296,284 16.296,285 13.36,286 7.461,287 6.313,288 16.967,289 4.408,290 2.709,291 1.787,292 0.973,293 0.646,294 0.554,295 4.17,297 1,300 1,301 1121,302 5.05,306 284.003,313 2.719,314 42.689,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 69.333,326 545,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.897,337 3.723,338 5.91,339 3.723,340 2.721,341 3.444,343 8.133,344 2.715,345 3.881,346 2.898,347 5.34,348 3.512,349 2.521,350 3.393,352 6.965,353 2.498,354 3.835,355 2.718,356 5.149,357 3.313,358 2.401,359 3.031,361 6.32,362 2.159,363 3.086,364 2.172,365 4.733,366 2.831,367 1.844,368 2.292,370 4.771,371 1.817,372 2.962,373 1.985,374 3.964,375 2.725,376 1.732,377 2.119,379 3.694,380 1.717,381 2.87,382 1.754,383 3.835,384 2.582,385 1.636,386 1.867,388 3.567,389 1.491,390 2.746,391 1.679,392 3.703,393 2.458,394 1.481,395 1.742,397 3.168,398 1.433,399 2.524,400 1.479,401 3.556,402 2.365,403 1.38,404 1.502,406 2.934,407 1.343,408 2.5,409 1.319,410 3.414,411 2.101,412 1.11,413 1.5,415 2.397,416 1.092,417 2.5,418 1,419 3.378,420 2,421 1,422 1.5,424 2.275,425 1,426 2.237,427 1,428 3.247,429 1.956,430 1,431 1.201,433 2.136,434 0.954,435 1.845,436 0.866,437 3.123,438 1.759,439 0.773,440 0.81,442 1.659,443 0.76,444 1.527,445 0.719,446 2.846,447 1.418,448 0.433,449 0.458,451 0.939,452 0.423,453 1.12,454 0.54,455 2.638,456 0.96,457 -0.024,458 -0.025,460 -0.053,461 -0.023,462 15.681,463 0.49,464 0.704,465 0.022,466 35,467 1.094,468 16.5,469 0.516,470 18.5,471 0.578,472 33.008,473 1.031,474 37.119,475 0.571,476 24.83,477 0.776,478 6.019,479 0.188,480 9.362,481 0.293,482 0.131,483 0.053,484 0.159,487 0.582,488 1.349,489 0.798,490 1.231,491 0.658,492 1.072,493 0.467,494 1.235,495 0.844,496 1.119,497 0.427,498 1.159,499 0.781,500 1.1,501 0.967,502 1.088,503 0.741,504 1.023,505 1.222,506 0.986,507 1.014,508 0.991,509 1.239,510 0.997,511 1.121,512 0.93,513 0.767,514 0.859,515 1.212,516 0.942,517 0.886,518 0.924,519 0.804,520 0.925,521 0.961,522 0.969,523 0.973,524 0.929,525 0.85,526 0.907,527 1.001,528 0.98,529 1.047,530 0.926,531 0.915,532 0.909,533 1.059,534 0.96,535 6,536 0.211,537 3.333,538 1.563,539 0.973,540 0.75,541 0.325,542 0.274,543 0.238,544 0.19,545 17325,546 51636,547 1.954,548 50.8,549 18,550 8,552 2,553 2,554 1,555 2,558 1.736,559 1.837,560 3.995,561 0.208,567 104.95,568 1.615,569 3.313,570 4.235,571 5.05,572 5.376,573 5.469,574 3.492,575 4.351,576 4.973,577 4.235,578 2100.55,579 8.65,580 35907.5,585 391.454,586 1.392,587 4.927,588 0.182,589 0.007,590 0.079,591 0.038,592 0.028,593 0.023,594 0.01,595 0.01,596 0.009,597 0.007,598 0.393,599 0.17,600 0.75,601 0.731,602 177.277,603 0.049,604 -0.06,605 0.13,606 -0.024,607 -0.075,608 0.026,609 0.257,610 -0.087,612 -0.079,613 0.278,614 -0.127,615 -0.008,616 -0.097,617 0.008,618 -0.05,619 0.024,620 -0.009,621 -0.143,622 -0.025,623 -0.082,624 -0.029,625 -0.102,626 -0.038,627 -0.107,628 0.013,629 0.04,630 0.051,631 -0.124,632 0.009,633 0.065,634 0.005,635 0.053,636 -0.012,637 0.012,638 -0.003,639 -0.085,640 0.001,641 -0.03,642 0.007,643 -0.092,644 -0.01,645 -0.099,646 0.002,647 -0.036,648 0.015,649 -0.099,650 0.009,651 4.434,652 5.202,653 0.375,654 42.715,655 1.001,656 1.128,657 3.367,658 11.336,659 0.654,660 3.526,661 3.761,662 3.871,663 3.932,664 4.025,665 3.932,666 3.784,667 3.689,668 3.714,669 3.738,670 9.907,671 0.605,672 481.11,673 3.526,674 5.017,675 5.796,676 6.613,677 7.41,678 8.232,679 9.037,680 9.863,681 10.671,682 11.501,683 3.1,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 65,726 15,727 1,728 33,730 66,731 24,733 11,734 2,735 4,739 2,740 2,741 1,751 10,753 12,754 12,755 1,756 3,760 1,761 3,765 1,772 33,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 32,844 1,845 1,846 11,847 1,850 1,861 1,862 6.2,864 1,865 3,869 17.417,870 10.96,871 7.319,872 4.261,874 1.614,875 1.238,876 0.92,877 11.901,878 8.387,879 3.761,880 4.248,881 4.585,882 4.934,883 5.336,884 5.255,885 5.128,886 4.69,887 4.748,888 4.829,889 1,890 41,891 12.123,893 5.202,894 7.938,895 22.892,897 18.587,899 2.438,900 78.028,904 364.904,905 117.358,906 33.191,907 39.149,908 112.141,910 5.807,911 111.55,912 516.194,913 33.191,915 27.451,916 79.07,917 153.379,918 26.332,920 341.362,921 39.149,922 364.904,923 144.741,924 112.141,925 44.956,927 341.362,928 135.683,931 61.951,932 66.004,933 61.742,935 364.904,936 145.332,937 156.506,939 5.807,940 364.904,941 36.598,942 74.952,943 16.405,944 168.075,945 364.904,946 145.332,947 156.506,949 0.562,950 0.305,951 0.144,952 0.075,953 14,954 7,955 0.242,956 16,958 1,959 4.579,960 240.272,962 12,963 154,967 1,968 26.473,969 14.386,970 10.601,972 145.332,973 13.709,974 4.108,978 1.915,980 59.088,981 666.742,982 42,986 -3.517,987 35.927,991 -0.715,994 65.051,995 73.341,996 0.268,997 0.55,998 0.703,999 0.839,1000 0.893,1001 0.908,1002 4.956,1003 1.481,1004 5.759,1005 3.567,1006 4.443,1007 4.934,1008 2.258,1009 6.491,1010 4.361,1011 6.128,1012 1.38,1013 7.281,1014 3.168,1015 4.007,1016 4.879,1017 2.243,1018 7.63,1019 3.783,1020 7.43,1021 1.11,1022 8.934,1023 2.934,1024 6.004,1025 7.116,1026 3.628,1027 10.596,1028 5.813,1029 8.783,1030 1,1031 10.678,1032 2.397,1033 6.463,1034 7.97,1035 4.112,1036 12.68,1037 6.103,1038 10.184,1039 1,1040 12.485,1041 2.275,1042 7.936,1043 9.743,1044 5.201,1045 15.288,1046 7.588,1047 11.621,1048 0.773,1049 14.338,1050 2.136,1051 8.809,1052 10.984,1053 5.889,1054 17.673,1055 8.295,1056 13.086,1057 0.433,1058 16.225,1059 1.659,1060 10.092,1061 12.605,1062 6.849,1063 20.208,1064 9.549,1065 3.374,1066 -0.024,1067 18.136,1068 0.939,1069 11.151,1070 14.015,1071 7.625,1072 22.684,1073 10.458,1074 2.721,1075 12.404,1076 20.066,1077 -0.053,1078 12.371,1079 15.584,1080 8.526,1081 25.204,1082 11.614,1083 2.521,1084 8.133,1085 22.009,1086 4.697,1087 13.514,1088 17.068,1089 9.342,1090 27.708,1091 12.621,1092 2.401,1093 6.965,1094 23.962,1095 3.444,1096 14.718,1097 18.62,1098 10.216,1099 30.225,1100 13.739,1101 1.844,1102 6.32,1103 25.923,1104 3.393,1105 15.897,1106 20.138,1107 11.051,1108 32.738,1109 14.794,1110 1.732,1111 4.771,1112 27.889,1113 3.031,1114 17.1,1115 21.685,1116 11.912,1117 35.256,1118 15.899,1119 1.636,1120 3.694,1121 29.861,1122 2.292,1123 18.297,1124 23.219,1125 12.755,1126 37.772,1127 16.979,1128 17130,1129 29900,1130 21.435,1131 42.517,1132 46.874,1133 48.601,1134 47.892,1135 47.09,1136 46.813,1137 59.111,1138 4.682,1139 122.727,1140 44.927,1141 5.821,1142 6.683,1143 7.146,1144 5.335,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 17.469,1151 1.42,1152 1.473,1153 1.451,1154 1.427,1155 1.419,1156 1.791,1157 0.142,1158 3.719,1159 1.361,1160 4.075,1161 4.056,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.916,1167 3.958,1168 3.926,1169 3.818,1170 7.474,1171 3.814,1172 3.826,1173 3.873,1174 3.833,1175 3.71,1176 6.999,1177 3.702,1178 3.706,1179 3.757,1180 3.713,1181 3.602,1182 6.351,1183 3.565,1184 3.611,1185 3.643,1186 3.506,1187 3.512,1188 4.93,1189 3.464,1190 3.512,1191 3.543,1192 3.384,1193 3.37,1194 4.893,1195 3.351,1196 3.283,1197 3.338,1198 3.18,1199 3.12,1200 4.277,1201 3.096,1202 3.173,1203 3.219,1204 3.107,1205 2.957,1206 4.213,1207 2.961,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.077,1229 2.028,1230 1.447,1231 2.068,1232 1.889,1233 1.847,1234 2.022,1235 2.013,1236 1.351,1237 2.035,1238 1.822,1239 1.774,1240 1.955,1241 1.964,1242 1.22,1243 1.983,1244 1.702,1245 1.645,1246 1.923,1247 1.864,1248 1.147,1249 1.89,1250 1.561,1251 1.52,1252 1.794,1253 1.742,1254 1.029,1255 1.769,1256 1.437,1257 1.427,1258 1.63,1259 1.624,1260 0.869,1261 1.649,1262 1.263,1263 1.211,1264 1.451,1265 1.446,1266 0.704,1267 1.496,1268 1.117,1269 1.067,1270 1.279,1271 1.383,1272 0.55,1273 1.379,1274 4.205,1276 5.46,1278 6.893,1280 8.408,1282 9.968,1285 5.79,1289 9.47,1290 9.041,1291 2.595,1294 -0.295,1300 39.345,1301 104.95,1302 215.373,1303 275.276,1304 328.235,1305 349.454,1306 355.454,1307 118.887,1308 6.773,1309 96.36,1310 104.74,1311 12,1312 12.08,1313 4,1314 3.322,1315 77.667,1316 193,1317 170,1318 0.185,1319 254.745,1320 449.64,1321 613.339,1322 8995,1323 1.5,1324 23.236,1325 0.726,1326 0.624,1327 23.986,1328 19.952,1329 15.382,1330 0.466,1331 0.397,1332 11.319,1333 13.892,1334 10.948,1335 9.135,1336 16.492,1337 13.113,1338 13.398,1339 0.319,1340 0.244,1341 15.13,1342 10.254,1343 9.872,1344 0.21,1345 0.153,1346 11.268,1347 7.214,1348 7.066,1349 0.141,1350 0.096,1351 8.099,1352 4.807,1353 5.202,1354 0.095,1355 0.062,1356 6.162,1357 3.43,1358 0.313,1359 106.759,1360 0.216,1361 31.602,1362 0.454,1363 150,1364 458.398,1365 213.911,1366 491.142,1367 629.57,1368 448,1369 164,1370 384.182,1371 227.638,1372 434.399,1373 617.98,1374 406,1375 8.398} {0 CHEMBL136905,1 1.638,2 15.516,3 5.409,4 29.252,5 122.751,6 7.534,7 0.375,8 4.178,9 4.288,10 3.864,11 3.753,12 5.196,13 3.679,14 4.747,15 4.919,16 4.112,17 4.134,18 5.971,19 4.017,20 5.071,21 5.309,22 4.105,23 4.278,24 6.017,25 4.109,26 5.129,27 5.386,28 3.99,29 4.221,30 6.087,31 4.051,32 5.096,33 5.353,34 3.97,35 4.167,36 6.045,37 3.999,38 5.066,39 5.327,40 3.952,41 4.133,42 6.065,43 3.965,44 5.014,45 5.282,46 3.775,47 4.089,48 5.901,49 3.911,50 4.952,51 5.207,52 3.812,53 4.051,54 5.894,55 3.884,56 0.098,57 0.855,58 16.342,59 6.542,60 21.028,61 8.228,62 0.409,63 1.356,64 27.732,65 11.13,66 83.334,67 14.46,68 0.387,69 1.688,70 45.526,71 15.554,72 82.059,73 19.993,74 0.518,75 1.708,76 48.174,77 15.4,78 100.56,79 20.138,80 0.591,81 1.618,82 46.879,83 14.538,84 110.677,85 18.953,86 0.691,87 1.55,88 44.61,89 14.072,90 119.369,91 18.836,92 0.486,93 1.487,94 40.965,95 13.588,96 93.327,97 18.196,98 0.483,99 1.415,100 38.923,101 12.541,102 90.137,103 16.622,104 28,105 41,106 0.265,107 0.554,108 0.72,109 0.846,110 0.876,111 0.887,112 3.47,113 1.18,114 -4.39,115 -4.32,116 -4.08,118 37.1,120 9,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 14,169 1,171 1,172 3,175 3,177 2,180 16,181 1,186 7,191 4,194 15,195 2,198 9,203 5,206 10,207 2,210 5,215 3,218 11,219 2,222 7,227 4,229 11,230 2,234 5,239 4,242 10,243 1,247 5,252 2,253 1,255 10,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 1942,271 20.474,272 20.474,273 20.474,274 20.474,275 20.474,276 18.477,277 12.838,278 12.736,279 20.851,280 15.828,281 15.828,282 15.828,283 15.828,284 15.828,285 12.867,286 5.318,287 6.109,288 16.5,289 4.316,290 2.539,291 1.509,292 0.734,293 0.548,294 0.484,295 4.138,297 1,299 1,300 1,301 988,302 4.95,306 271.256,313 2.306,314 41.545,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 67.333,326 481,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.897,337 3.609,338 5.43,339 3.583,340 2.583,341 3.444,343 7.234,344 2.578,345 3.835,346 2.898,347 5.339,348 3.506,349 2.515,350 3.393,352 6.963,353 2.492,354 3.696,355 2.719,356 5.149,357 3.313,358 2.401,359 2.817,361 6.32,362 2.159,363 3.225,364 2.417,365 4.733,366 2.979,367 1.974,368 2.293,370 4.772,371 1.96,372 3.085,373 1.979,374 4.434,375 2.751,376 1.776,377 2.256,379 4.62,380 1.726,381 2.946,382 1.7,383 3.801,384 2.589,385 1.626,386 2.108,388 3.515,389 1.556,390 2.739,391 1.644,392 3.705,393 2.521,394 1.556,395 1.738,397 3.296,398 1.439,399 2.5,400 1.356,401 3.48,402 2.287,403 1.304,404 1.5,406 2.768,407 1.278,408 2.5,409 1.19,410 3.414,411 2.004,412 1.025,413 1.5,415 2.275,416 1,417 2.436,418 1,419 3.322,420 2,421 1,422 1.429,424 2.185,425 0.999,426 2.099,427 1,428 3.247,429 1.956,430 1,431 1.073,433 2.136,434 0.953,435 1.531,436 0.75,437 2.945,438 1.434,439 0.446,440 0.472,442 0.987,443 0.439,444 1.319,445 0.646,446 2.739,447 1.206,448 0.225,449 0.236,451 0.5,452 0.219,453 1.119,454 0.462,455 2.598,456 0.639,457 -0.217,458 -0.268,460 -0.478,461 -0.144,462 15.181,463 0.49,464 0.721,465 0.023,466 34.5,467 1.113,468 16.5,469 0.532,470 18,471 0.581,472 31.418,473 1.013,474 35.819,475 0.578,476 24.621,477 0.794,478 6.045,479 0.195,480 8.82,481 0.285,482 0.135,483 0.055,484 0.165,487 0.582,488 1.343,489 0.787,490 1.223,491 0.66,492 1.057,493 0.469,494 1.224,495 0.835,496 1.107,497 0.423,498 1.146,499 0.816,500 1.094,501 1.005,502 1.09,503 0.771,504 1.048,505 0.975,506 1.003,507 0.955,508 1.007,509 0.974,510 0.992,511 1.1,512 0.94,513 0.767,514 0.869,515 1.186,516 0.96,517 0.853,518 0.917,519 0.789,520 0.918,521 0.925,522 0.97,523 0.928,524 0.92,525 0.811,526 0.879,527 0.958,528 0.948,529 1.066,530 0.946,531 0.904,532 0.891,533 1.062,534 0.974,535 6.5,536 0.211,537 2.889,538 1.563,539 0.973,540 0.694,541 0.407,542 0.243,543 0.259,544 0.237,545 14968,546 46449,547 1.952,548 50,549 15,550 8,552 2,553 2,554 2,555 2,558 1.732,559 1.833,560 3.877,561 0.225,567 101.538,568 1.638,569 3.415,570 4.445,571 5.22,572 5.406,573 5.47,574 3.373,575 4.285,576 4.928,577 4.096,578 1904.69,579 8.577,580 30929.7,585 369.16,586 1.417,587 4.879,588 0.203,589 0.007,590 0.07,591 0.04,592 0.028,593 0.022,594 0.013,595 0.008,596 0.009,597 0.008,598 0.409,599 0.17,600 0.75,601 0.904,602 168.361,603 0.046,604 -0.062,605 0.131,606 -0.025,607 -0.078,608 0.027,609 0.257,610 -0.08,611 0.002,612 -0.073,613 0.285,614 -0.123,615 -0.041,616 -0.087,617 -0.029,618 -0.049,619 -0.002,620 -0.033,621 -0.075,622 -0.037,623 -0.039,624 -0.037,625 -0.039,626 -0.016,627 -0.11,628 0.003,629 0.031,630 0.041,631 -0.125,632 -0.006,633 0.065,634 0.006,635 0.056,636 -0.01,637 0.012,639 -0.068,640 0.002,642 0.029,643 -0.081,644 0.025,645 -0.117,646 0.002,647 -0.035,648 0.025,649 -0.123,650 -0.009,651 4.442,652 5.232,653 0.387,654 37.915,655 1.003,656 1.128,657 3.159,658 9.981,659 0.657,660 3.497,661 3.738,662 3.829,663 3.932,664 4.025,665 3.932,666 3.807,667 3.714,668 3.784,669 3.784,670 9.082,671 0.61,672 467.08,673 3.497,674 4.99,675 5.765,676 6.589,677 7.382,678 8.21,679 9.012,680 9.843,681 10.649,682 11.484,683 3.2,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 62,726 15,727 1,728 32,730 63,731 23,733 11,734 2,735 4,739 2,740 2,741 1,751 9,753 12,754 11,755 1,756 3,760 1,761 3,765 1,772 31,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 31,844 1,845 1,846 10,847 1,850 1,861 1,862 6.5,864 1,865 3,869 16.917,870 10.46,871 7.042,872 3.969,874 1.639,875 1.244,876 0.921,877 11.174,878 8.362,879 3.738,880 4.234,881 4.554,882 4.934,883 5.336,884 5.255,885 5.139,886 4.722,887 4.829,888 4.914,889 1,890 39,891 11.732,893 5.04,894 7.969,895 22.076,897 17.922,899 2.469,900 76.528,904 341.362,905 114.823,906 33.191,907 39.149,908 112.141,910 5.807,911 109.016,912 492.652,913 33.191,915 24.916,916 79.07,917 153.379,918 26.332,920 317.82,921 39.149,922 341.362,923 142.206,924 112.141,925 44.956,927 317.82,928 135.683,931 59.416,932 66.004,933 61.742,935 341.362,936 145.332,937 153.972,939 5.807,940 341.362,941 34.063,942 74.952,943 16.405,944 168.075,945 341.362,946 145.332,947 153.972,949 0.562,950 0.295,951 0.146,952 0.077,953 14,954 7,955 0.238,956 15,958 1,959 4.432,960 233.678,962 12,963 147.58,967 1,968 25.481,969 13.594,970 10.387,972 145.332,973 13.682,974 4.113,978 1.898,980 59.088,981 640.665,982 41,986 -3.525,987 35.635,991 -0.756,994 62.167,995 69.926,996 0.275,997 0.574,998 0.747,999 0.877,1000 0.908,1001 0.919,1002 4.934,1003 1.556,1004 5.733,1005 3.515,1006 4.419,1007 4.92,1008 2.258,1009 6.463,1010 4.335,1011 6.113,1012 1.304,1013 7.251,1014 3.296,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.416,1021 1.025,1022 8.895,1023 2.768,1024 5.979,1025 7.105,1026 3.628,1027 10.554,1028 5.782,1029 8.768,1030 1,1031 10.629,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.639,1037 6.059,1038 10.167,1039 1,1040 12.429,1041 2.185,1042 7.901,1043 9.731,1044 5.201,1045 15.254,1046 7.538,1047 11.601,1048 0.446,1049 14.278,1050 2.136,1051 8.766,1052 10.972,1053 5.889,1054 17.647,1055 8.224,1056 13.064,1057 0.225,1058 16.164,1059 0.987,1060 10.051,1061 12.596,1062 6.849,1063 20.188,1064 9.479,1065 3.374,1066 -0.217,1067 18.077,1068 0.5,1069 11.109,1070 14.007,1071 7.625,1072 22.67,1073 10.375,1074 2.583,1075 12.404,1076 20.01,1077 -0.478,1078 12.333,1079 15.578,1080 8.526,1081 25.194,1082 11.533,1083 2.515,1084 7.234,1085 21.958,1086 4.697,1087 13.478,1088 17.064,1089 9.342,1090 27.701,1091 12.535,1092 2.401,1093 6.963,1094 23.917,1095 3.444,1096 14.686,1097 18.617,1098 10.216,1099 30.221,1100 13.656,1101 1.974,1102 6.32,1103 25.883,1104 3.393,1105 15.869,1106 20.136,1107 11.051,1108 32.735,1109 14.711,1110 1.776,1111 4.772,1112 27.855,1113 2.817,1114 17.076,1115 21.684,1116 11.912,1117 35.254,1118 15.82,1119 1.626,1120 4.62,1121 29.831,1122 2.293,1123 18.276,1124 23.218,1125 12.755,1126 37.771,1127 16.902,1128 14859,1129 26467,1130 20.742,1131 40.756,1132 45.431,1133 47.177,1134 46.381,1135 45.887,1136 45.607,1137 57.914,1138 4.682,1139 119.951,1140 43.72,1141 5.816,1142 6.683,1143 7.104,1144 5.335,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 17.076,1151 1.42,1152 1.474,1153 1.449,1154 1.434,1155 1.425,1156 1.81,1157 0.146,1158 3.748,1159 1.366,1160 4.075,1161 4.056,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.918,1167 3.96,1168 3.926,1169 3.822,1170 7.474,1171 3.816,1172 3.821,1173 3.869,1174 3.834,1175 3.711,1176 6.999,1177 3.701,1178 3.69,1179 3.733,1180 3.704,1181 3.594,1182 6.351,1183 3.547,1184 3.565,1185 3.593,1186 3.461,1187 3.459,1188 4.93,1189 3.414,1190 3.49,1191 3.523,1192 3.363,1193 3.32,1194 4.893,1195 3.312,1196 3.275,1197 3.309,1198 3.179,1199 3.056,1200 4.278,1201 3.061,1202 3.103,1203 3.177,1204 3.12,1205 2.935,1206 4.224,1207 2.917,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.073,1217 7.293,1218 0.388,1219 4.291,1220 0.096,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.086,1229 2.032,1230 1.471,1231 2.07,1232 1.894,1233 1.851,1234 2.006,1235 2.013,1236 1.312,1237 2.039,1238 1.822,1239 1.774,1240 1.954,1241 1.957,1242 1.194,1243 1.975,1244 1.666,1245 1.613,1246 1.894,1247 1.835,1248 1.131,1249 1.86,1250 1.504,1251 1.473,1252 1.74,1253 1.693,1254 0.937,1255 1.718,1256 1.415,1257 1.4,1258 1.566,1259 1.615,1260 0.821,1261 1.633,1262 1.196,1263 1.161,1264 1.418,1265 1.435,1266 0.613,1267 1.449,1268 1.107,1269 1.038,1270 1.251,1271 1.322,1272 0.554,1273 1.365,1274 4.174,1276 5.434,1278 6.866,1280 8.38,1282 9.939,1285 5.794,1289 9.181,1290 7.74,1291 2.602,1294 0.164,1300 37.819,1301 101.538,1302 211.76,1303 275.593,1304 323.65,1305 335.16,1306 339.16,1307 110.504,1308 6.723,1309 96.36,1310 104.74,1311 12,1312 12.06,1313 4,1314 3.322,1315 73.478,1316 170,1317 151,1318 0.199,1319 245.153,1320 432.34,1321 589.934,1322 7969,1323 1.6,1324 22.529,1325 0.727,1326 0.621,1327 23.279,1328 19.245,1329 14.865,1330 0.465,1331 0.393,1332 10.793,1333 13.368,1334 10.422,1335 8.687,1336 15.975,1337 12.587,1338 13.182,1339 0.322,1340 0.243,1341 14.914,1342 9.975,1343 9.309,1344 0.207,1345 0.154,1346 10.705,1347 6.948,1348 7.001,1349 0.14,1350 0.095,1351 8.035,1352 4.742,1353 5.16,1354 0.094,1355 0.062,1356 6.121,1357 3.391,1358 0.331,1359 103.658,1360 0.22,1361 30.472,1362 0.498,1363 146,1364 454.398,1365 209.911,1366 487.021,1367 622.79,1368 444,1369 159,1370 378.182,1371 221.974,1372 428.338,1373 607.79,1374 400,1375 7} {0 CHEMBL136918,1 1.761,2 12.821,3 3.214,4 10.328,5 108.586,6 7.926,7 0.379,8 4.061,9 4.169,10 3.801,11 3.601,12 5.111,13 3.543,14 4.627,15 4.798,16 4.057,17 3.985,18 5.911,19 3.889,20 4.923,21 5.153,22 4.003,23 4.12,24 5.914,25 3.96,26 4.989,27 5.237,28 3.89,29 4.078,30 5.984,31 3.918,32 4.967,33 5.232,34 3.927,35 4.038,36 5.895,37 3.885,38 4.945,39 5.188,40 3.951,41 4.019,42 6.022,43 3.884,44 4.932,45 5.195,46 3.777,47 3.977,48 5.896,49 3.814,50 4.816,51 5.071,52 3.801,53 3.884,54 5.856,55 3.739,56 0.125,57 0.782,58 13.904,59 5.399,60 23.198,61 6.694,62 0.509,63 1.213,64 23.988,65 9.113,66 83.72,67 11.737,68 0.509,69 1.425,70 40.342,71 13.067,72 83.038,73 16.538,74 0.66,75 1.449,76 43.173,77 13.031,78 111.018,79 16.854,80 0.639,81 1.41,82 42.533,83 12.323,84 102.246,85 16.376,86 0.779,87 1.368,88 39.565,89 11.713,90 121.918,91 15.66,92 0.735,93 1.35,94 38.146,95 11.398,96 103.566,97 15.501,98 0.57,99 1.211,100 37.875,101 10.721,102 82.275,103 13.785,104 29,105 38,106 0.294,107 0.612,108 0.784,109 0.881,110 0.881,111 0.881,112 3.373,113 1.154,114 -3.65,115 -3.62,116 -3.45,118 35.2,120 6,121 1,124 2,140 4,142 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 2,172 2,175 3,177 2,180 10,181 1,186 6,191 4,194 9,195 1,198 10,203 4,206 3,207 2,210 7,215 3,218 3,219 1,222 8,223 1,227 4,229 4,230 1,233 1,234 5,237 1,239 2,242 4,247 5,248 1,250 1,253 1,255 5,258 1,259 2,262 2,263 1,267 7,270 1372,271 18.352,272 18.352,273 18.352,274 18.352,275 18.352,276 16.485,277 13.943,278 11.208,279 18.849,280 14.311,281 14.311,282 14.311,283 14.311,284 14.311,285 11.507,286 6.348,287 5.361,288 15.173,289 3.994,290 2.088,291 1.06,292 0.481,293 0.481,294 0.481,295 4.036,297 1,299 1,300 1,301 736,302 4.743,305 102.884,306 118.053,313 1.847,314 40.087,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.833,326 359,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.927,337 3.597,338 5.429,339 3.572,340 2.609,341 3.48,343 7.213,344 2.541,345 3.835,346 2.898,347 5.259,348 3.386,349 2.434,350 3.393,352 6.74,353 2.284,354 3.606,355 2.681,356 5.149,357 3.313,358 2.401,359 2.739,361 6.32,362 2.159,363 3.377,364 2.412,365 4.733,366 3.131,367 2.127,368 2.416,370 5.052,371 2.107,372 3.085,373 1.964,374 4.61,375 2.68,376 1.727,377 2.292,379 4.77,380 1.628,381 2.691,382 1.611,383 3.733,384 2.495,385 1.528,386 1.731,388 3.319,389 1.418,390 2.609,391 1.382,392 3.518,393 2.232,394 1.295,395 1.614,397 2.786,398 1.211,399 2.5,400 1.142,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.118,409 1,410 3.277,411 1.823,412 0.851,413 0.927,415 1.843,416 0.822,417 1.931,418 0.944,419 3,420 1.641,421 0.661,422 0.892,424 1.472,425 0.643,426 1.817,427 0.618,428 3,429 1.553,430 0.618,431 0.732,433 1.372,434 0.577,435 1.35,436 0.592,437 2.833,438 1.203,439 0.229,440 0.246,442 0.514,443 0.221,444 1.12,445 0.483,446 2.593,447 0.711,448 -0.2,449 -0.232,451 -0.442,452 -0.137,453 1,454 0.272,455 2.295,456 0.578,457 -0.307,458 -0.351,460 -0.699,461 -0.286,462 13.581,463 0.485,464 0.721,465 0.026,466 31.75,467 1.134,468 14.5,469 0.518,470 17.25,471 0.616,472 26.542,473 0.948,474 32.619,475 0.604,476 23.026,477 0.822,478 5.754,479 0.206,480 7.611,481 0.272,482 0.151,483 0.061,484 0.177,487 0.621,488 1.52,489 0.758,490 1.273,491 0.666,492 1.056,493 0.537,494 1.155,495 0.819,496 1.038,497 0.429,498 1.087,499 0.861,500 1.079,501 1.046,502 1.116,503 0.798,504 1.077,505 1.011,506 1.018,507 0.993,508 1.027,509 1.021,510 1.03,511 0.89,512 0.905,513 0.679,514 0.817,515 0.93,516 0.891,517 0.899,518 1,519 0.802,520 0.95,521 0.947,522 1.008,523 0.946,524 0.889,525 0.815,526 0.822,527 0.969,528 0.96,529 1.006,530 0.914,531 1.009,532 0.995,533 0.933,534 0.924,535 6.5,536 0.165,537 3.111,538 1.222,539 1.027,540 0.746,541 0.294,542 0.344,543 0.304,544 0.2,545 10498,546 36211,547 1.947,548 48.1,549 7,550 8,551 1,552 2,553 2,554 2,555 4,558 1.708,559 1.816,560 3.617,561 0.318,562 1,563 1,567 95.087,568 1.761,569 3.667,570 4.695,571 5.273,572 5.273,573 5.273,574 3.023,575 4.164,576 4.782,577 3.837,578 1450.27,579 8.3,580 21149.3,582 1,584 1,585 310.764,586 1.496,587 4.724,588 0.224,589 0.007,590 0.082,591 0.036,592 0.033,593 0.024,594 0.009,595 0.013,596 0.011,597 0.008,598 0.447,599 0.33,600 0.88,601 1.131,602 145.207,603 0.027,604 -0.196,605 0.136,606 -0.073,607 -0.085,608 0.004,609 0.227,610 0.024,611 0.004,612 -0.024,613 0.282,614 -0.092,615 -0.073,616 -0.074,617 -0.061,618 -0.059,619 -0.012,620 -0.054,621 -0.116,622 -0.065,623 -0.077,624 -0.046,625 -0.074,626 -0.043,627 -0.058,628 0.032,629 0.105,630 0.085,631 -0.066,632 0.08,633 0.026,634 -0.063,635 0.031,636 -0.049,637 -0.013,638 -0.039,639 -0.059,640 0.044,641 -0.013,642 0.053,643 -0.109,644 -0.004,645 -0.081,646 0.054,647 -0.021,648 -0.001,649 -0.047,650 0.052,651 4.452,652 5.224,653 0.393,654 29.286,655 1.011,656 1.133,657 2.42,658 5.857,659 0.657,660 3.401,661 3.664,662 3.761,663 3.85,664 3.912,665 3.912,666 3.784,667 3.761,668 3.714,669 3.664,670 7.803,671 0.616,672 428,673 3.401,674 4.905,675 5.687,676 6.518,677 7.321,678 8.155,679 8.966,680 9.803,681 10.619,682 11.459,683 5.6,685 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,723 1,724 54,726 14,727 1,728 29,730 55,731 19,733 9,734 2,735 4,739 2,740 2,741 1,751 6,753 10,754 9,755 1,756 3,760 1,761 3,765 1,769 1,772 26,773 6,774 2,775 9,776 2,778 1,779 3,784 1,785 4,801 1,802 1,818 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 8,847 1,850 1,861 1,862 7.4,864 1,865 3,869 15.417,870 9.076,871 6.292,872 3.3,874 1.485,875 1.228,876 0.921,877 9.29,878 8.006,879 3.651,880 4.171,881 4.496,882 4.867,883 5.095,884 5.198,885 5.098,886 4.78,887 4.788,888 4.809,889 1,890 34,891 10.593,893 4.598,894 8.066,895 19.668,897 15.938,899 2.566,900 71.861,903 1,904 282.506,905 95.806,906 35.09,907 39.149,908 112.141,910 5.807,911 89.998,912 433.796,913 35.09,915 19.419,916 69.165,917 161.997,918 15.998,919 11.771,920 247.193,921 39.149,922 282.506,923 125.088,924 112.141,925 44.956,927 235.422,928 159.226,931 55.389,932 52.914,933 61.742,935 282.506,936 147.231,937 134.954,939 5.807,940 282.506,941 25.38,942 66.518,943 16.405,944 168.075,945 282.506,946 147.231,947 134.954,949 0.57,950 0.299,951 0.14,952 0.073,953 14,954 7,955 0.236,956 13,958 1,959 4.088,960 208.3,962 11,963 128.606,967 1,968 22.728,969 11.445,970 8.562,972 145.332,973 11.4,974 4.01,978 0.679,979 1.98,980 59.088,981 564.692,982 37.5,986 -3.536,987 35.326,991 -0.789,994 54.618,995 61.179,996 0.306,997 0.637,998 0.816,999 0.916,1000 0.916,1001 0.916,1002 4.858,1003 1.295,1004 5.673,1005 3.319,1006 4.344,1007 4.856,1008 2.258,1009 6.422,1010 4.229,1011 6.052,1012 1,1013 7.207,1014 2.786,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.746,1020 7.369,1021 0.851,1022 8.865,1023 2.275,1024 5.932,1025 7.069,1026 3.628,1027 10.538,1028 5.676,1029 8.735,1030 0.661,1031 10.609,1032 1.843,1033 6.447,1034 7.983,1035 4.112,1036 12.637,1037 6.021,1038 10.144,1039 0.618,1040 12.416,1041 1.472,1042 7.876,1043 9.711,1044 5.201,1045 15.247,1046 7.439,1047 11.586,1048 0.229,1049 14.269,1050 1.372,1051 8.775,1052 10.994,1053 5.889,1054 17.645,1055 8.171,1056 13.055,1057 -0.2,1058 16.158,1059 0.514,1060 10.038,1061 12.586,1062 6.849,1063 20.185,1064 9.39,1065 3.374,1066 -0.307,1067 18.072,1068 -0.442,1069 11.112,1070 14.021,1071 7.625,1072 22.668,1073 10.314,1074 2.609,1075 12.404,1076 20.006,1077 -0.699,1078 12.326,1079 15.575,1080 8.526,1081 25.193,1082 11.457,1083 2.434,1084 7.213,1085 21.955,1086 4.697,1087 13.478,1088 17.072,1089 9.342,1090 27.7,1091 12.477,1092 2.401,1093 6.74,1094 23.914,1095 3.48,1096 14.682,1097 18.616,1098 10.216,1099 30.22,1100 13.594,1101 2.127,1102 6.32,1103 25.881,1104 3.393,1105 15.868,1106 20.141,1107 11.051,1108 32.735,1109 14.661,1110 1.727,1111 5.052,1112 27.854,1113 2.739,1114 17.074,1115 21.684,1116 11.912,1117 35.254,1118 15.771,1119 1.528,1120 4.77,1121 29.83,1122 2.416,1123 18.275,1124 23.22,1125 12.755,1126 37.771,1127 16.862,1128 10499,1129 19707,1130 18.663,1131 35.478,1132 41.759,1133 43.087,1134 42.356,1135 41.982,1136 41.706,1137 53.316,1138 4.682,1139 112.161,1140 39.346,1141 5.808,1142 6.683,1143 7.04,1144 5.341,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 15.853,1151 1.44,1152 1.486,1153 1.461,1154 1.448,1155 1.438,1156 1.838,1157 0.161,1158 3.868,1159 1.357,1160 4.075,1161 4.062,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.948,1167 4.005,1168 3.926,1169 3.781,1170 7.474,1171 3.787,1172 3.787,1173 3.843,1174 3.875,1175 3.634,1176 6.999,1177 3.639,1178 3.673,1179 3.702,1180 3.665,1181 3.577,1182 6.351,1183 3.525,1184 3.534,1185 3.546,1186 3.444,1187 3.387,1188 4.956,1189 3.361,1190 3.381,1191 3.42,1192 3.263,1193 3.193,1194 4.925,1195 3.193,1196 3.082,1197 3.159,1198 3.153,1199 2.886,1200 4.277,1201 2.868,1202 2.917,1203 2.976,1204 2.885,1205 2.735,1206 4.215,1207 2.715,1208 0.167,1209 0.161,1210 0.251,1211 0.148,1212 0.116,1213 4.844,1214 0.162,1215 4.683,1216 0.081,1217 7.293,1218 0.428,1219 4.291,1220 0.106,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.07,1229 2.031,1230 1.466,1231 2.07,1232 1.852,1233 1.799,1234 1.955,1235 1.993,1236 1.228,1237 2.02,1238 1.641,1239 1.59,1240 1.871,1241 1.834,1242 1.13,1243 1.851,1244 1.548,1245 1.493,1246 1.757,1247 1.776,1248 1.013,1249 1.773,1250 1.42,1251 1.425,1252 1.559,1253 1.614,1254 0.812,1255 1.636,1256 1.311,1257 1.253,1258 1.484,1259 1.527,1260 0.589,1261 1.521,1262 1.219,1263 1.168,1264 1.342,1265 1.451,1266 0.484,1267 1.462,1268 0.984,1269 0.899,1270 1.181,1271 1.222,1272 0.367,1273 1.266,1274 4.078,1276 5.352,1277 2.398,1278 6.788,1279 4.443,1280 8.301,1281 6.26,1282 9.86,1285 5.784,1289 8.939,1290 5.188,1291 2.596,1294 0.284,1300 33.26,1301 95.087,1302 198.016,1303 253.545,1304 284.764,1305 284.764,1306 284.764,1307 91.631,1308 6.521,1309 101.29,1310 109.67,1311 11,1312 12.03,1313 3.907,1314 3.248,1315 62.119,1316 133,1317 120,1318 0.22,1319 216.505,1320 376.78,1321 520.033,1322 5575,1323 1.9,1324 20.408,1325 0.729,1326 0.614,1327 21.158,1328 17.201,1329 13.365,1330 0.461,1331 0.385,1332 9.333,1333 11.766,1334 9.014,1335 7.477,1336 14.475,1337 11.155,1338 12.11,1339 0.319,1340 0.235,1341 13.841,1342 8.938,1343 8.665,1344 0.206,1345 0.15,1346 10.061,1347 6.305,1348 6.209,1349 0.135,1350 0.091,1351 7.242,1352 4.173,1353 4.394,1354 0.09,1355 0.061,1356 5.354,1357 2.99,1358 0.36,1359 95.27,1360 0.231,1361 27.612,1362 0.567,1363 134,1364 450.043,1365 200.048,1366 478.694,1367 610.94,1368 436,1369 147,1370 371.999,1371 212.5,1372 419.542,1373 595.97,1374 391,1375 7.398} {0 CHEMBL136934,1 1.638,2 14.065,3 5.415,4 29.32,5 122.724,6 7.534,7 0.375,8 4.178,9 4.288,10 3.864,11 3.753,12 5.203,13 3.679,14 4.747,15 4.919,16 4.125,17 4.14,18 5.969,19 4.027,20 5.073,21 5.303,22 4.148,23 4.296,24 6.058,25 4.136,26 5.172,27 5.423,28 3.994,29 4.253,30 6.16,31 4.085,32 5.119,33 5.381,34 4.006,35 4.228,36 5.999,37 4.052,38 5.15,39 5.416,40 4.019,41 4.22,42 6.121,43 4.049,44 5.107,45 5.376,46 3.894,47 4.194,48 5.982,49 4.013,50 5.068,51 5.329,52 3.947,53 4.165,54 6.005,55 3.997,56 0.098,57 0.855,58 16.342,59 6.542,60 21.535,61 8.228,62 0.413,63 1.359,64 27.761,65 11.135,66 86.244,67 14.462,68 0.339,69 1.708,70 45.008,71 15.635,72 75.611,73 20.047,74 0.667,75 1.759,76 50.399,77 15.791,78 129.238,79 20.411,80 0.485,81 1.702,82 47.162,83 15.329,84 94.536,85 20.346,86 0.709,87 1.696,88 48.076,89 15.414,90 125.479,91 20.798,92 0.514,93 1.661,94 44.047,95 14.788,96 100.013,97 19.976,98 0.515,99 1.616,100 46.027,101 14.418,102 94.467,103 18.897,104 40,105 42,106 0.265,107 0.57,108 0.763,109 0.874,110 0.885,111 0.885,112 3.471,113 1.173,114 -4.39,115 -4.32,116 -4.08,118 37.1,119 1,120 7,121 2,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 14,169 1,171 1,172 3,175 3,177 2,180 16,181 2,186 8,191 5,194 16,195 1,198 8,203 4,206 12,207 2,210 5,215 3,218 12,219 2,222 7,227 5,229 12,230 2,234 6,239 4,242 10,243 1,247 7,252 3,253 1,255 9,256 1,259 7,260 1,262 1,263 1,264 2,267 9,268 1,270 1973,271 20.266,272 20.266,273 20.266,274 20.266,275 20.266,276 18.294,277 14.051,278 12.324,279 20.643,280 15.769,281 15.769,282 15.769,283 15.769,284 15.769,285 12.827,286 7.461,287 5.861,288 16.44,289 4.316,290 2.44,291 1.247,292 0.561,293 0.496,294 0.496,295 4.136,297 1,299 1,300 1,301 892,302 5.05,306 268.499,313 1.877,314 42.334,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 67.333,326 436,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.9,337 3.713,338 5.815,339 3.738,340 2.736,341 3.444,343 7.89,344 2.732,345 3.867,346 2.898,347 5.346,348 3.515,349 2.524,350 3.393,352 6.97,353 2.501,354 3.835,355 2.725,356 5.226,357 3.318,358 2.401,359 3.012,361 6.41,362 2.305,363 3.407,364 2.5,365 5.149,366 3.307,367 2.311,368 2.43,370 6.32,371 2.158,372 3.085,373 1.971,374 4.733,375 2.688,376 1.732,377 2.292,379 4.77,380 1.643,381 2.936,382 1.795,383 3.75,384 2.537,385 1.572,386 2.101,388 3.358,389 1.498,390 2.657,391 1.644,392 3.688,393 2.476,394 1.506,395 1.651,397 3.211,398 1.413,399 2.5,400 1.556,401 3.526,402 2.146,403 1.147,404 1.5,406 2.556,407 1.135,408 2.5,409 1.128,410 3.414,411 2.004,412 1.014,413 1.5,415 2.275,416 1,417 2.375,418 1,419 3.35,420 2,421 1,422 1.3,424 2.222,425 0.995,426 2.148,427 1,428 3.247,429 1.956,430 1,431 1.104,433 2.136,434 0.953,435 1.769,436 0.883,437 3.102,438 1.654,439 0.678,440 0.717,442 1.478,443 0.658,444 1.12,445 0.565,446 2.733,447 0.953,448 -0.028,449 -0.031,451 -0.066,452 -0.027,453 1.095,454 0.429,455 2.545,456 0.81,457 -0.163,458 -0.174,460 -0.375,461 -0.132,462 15.181,463 0.49,464 0.81,465 0.026,466 34.5,467 1.113,468 16.5,469 0.532,470 18,471 0.581,472 32.56,473 1.05,474 35.819,475 0.578,476 25.258,477 0.815,478 6.019,479 0.194,480 8.756,481 0.282,482 0.168,483 0.055,484 0.198,487 0.582,488 1.343,489 0.787,490 1.223,491 0.67,492 1.057,493 0.466,494 1.191,495 0.817,496 1.075,497 0.429,498 1.109,499 0.795,500 1.153,501 1.002,502 1.14,503 0.741,504 1.081,505 1.198,506 0.946,507 1.009,508 0.957,509 1.209,510 0.991,511 0.823,512 0.985,513 0.714,514 0.911,515 0.893,516 0.985,517 0.779,518 0.923,519 0.749,520 0.903,521 0.848,522 0.954,523 0.882,524 0.933,525 0.777,526 0.86,527 0.898,528 0.957,529 0.972,530 0.958,531 0.955,532 0.956,533 0.936,534 0.933,535 7,536 0.215,537 3.556,538 1.563,539 1.053,540 0.917,541 0.407,542 0.359,543 0.37,544 0.296,545 13784,546 43345,547 1.934,548 50,549 16,550 8,552 2,553 2,554 1,555 2,558 1.736,559 1.797,560 3.751,561 0.225,567 101.538,568 1.638,569 3.515,570 4.708,571 5.394,572 5.458,573 5.458,574 3.168,575 4.478,576 4.928,577 3.943,578 1833.49,579 8.602,580 28885.8,585 369.16,586 1.532,587 4.867,588 0.219,589 0.007,590 0.085,591 0.038,592 0.03,593 0.027,594 0.012,595 0.011,596 0.011,597 0.009,598 0.448,599 0.17,600 0.75,601 1.098,602 166.146,603 0.046,604 -0.062,605 0.131,606 -0.025,607 -0.086,608 0.027,609 0.26,610 -0.046,611 0.021,612 -0.041,613 0.28,614 -0.085,615 -0.025,616 -0.134,617 -0.032,618 -0.094,619 0.027,620 -0.063,621 -0.16,622 0.011,623 -0.094,625 -0.116,626 -0.029,627 -0.033,628 -0.028,629 0.06,630 0.009,631 -0.055,632 -0.008,633 0.079,634 -0.004,635 0.075,636 0.001,637 0.024,638 0.02,639 -0.064,640 0.003,641 0.013,642 0.038,643 -0.084,644 0.013,645 -0.079,646 0.012,647 -0.018,648 0.019,649 -0.074,650 0.042,651 4.462,652 5.312,653 0.387,654 34.735,655 1.003,656 1.128,657 3.159,658 9.981,659 0.657,660 3.497,661 3.761,662 3.871,663 3.932,664 4.06,665 3.989,666 3.871,667 3.85,668 3.892,669 3.932,670 8.342,671 0.61,672 467.08,673 3.497,674 5.004,675 5.79,676 6.619,677 7.424,678 8.255,679 9.066,680 9.901,681 10.715,682 11.552,683 3.2,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 62,726 15,727 1,728 32,730 63,731 23,733 11,734 2,735 4,739 2,740 2,741 1,745 1,751 7,753 12,754 11,755 2,756 3,760 1,761 3,765 1,772 31,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,837 1,840 31,844 1,845 1,846 8,847 1,850 2,861 1,862 6.5,864 1,865 3,869 17.25,870 10.793,871 6.986,872 3.927,874 1.639,875 1.244,876 0.915,877 10.625,878 8.362,879 3.738,880 4.248,881 4.585,882 4.927,883 5.346,884 5.276,885 5.171,886 4.837,887 4.954,888 5.11,889 1,890 41,891 11.741,893 5.076,894 7.979,895 22.016,897 17.947,899 2.479,900 76.861,904 341.362,905 118.579,906 33.191,907 39.149,908 112.141,910 5.807,911 112.772,912 492.652,913 33.191,914 8.825,915 19.847,916 79.07,917 153.379,918 26.332,920 317.82,921 39.149,922 341.362,923 145.962,924 112.141,925 44.956,927 317.82,928 135.683,931 63.172,932 66.004,933 61.742,935 341.362,936 145.332,937 157.728,939 5.807,940 341.362,941 28.994,942 83.778,943 16.405,944 168.075,945 341.362,946 145.332,947 157.728,949 0.573,950 0.311,951 0.139,952 0.075,953 15,954 8,955 0.222,956 14,958 1,959 4.315,960 240.248,962 12,963 147.58,967 1,968 25.481,969 12.926,970 9.488,972 145.332,973 13.654,974 4.13,978 1.869,980 59.088,981 644.422,982 41,986 -3.545,987 35.904,991 -0.77,994 62.167,995 69.926,996 0.275,997 0.59,998 0.791,999 0.906,1000 0.917,1001 0.917,1002 4.949,1003 1.506,1004 5.778,1005 3.358,1006 4.443,1007 4.934,1008 2.258,1009 6.529,1010 4.361,1011 6.139,1012 1.147,1013 7.318,1014 3.211,1015 4.111,1016 4.924,1017 2.243,1018 7.673,1019 3.911,1020 7.451,1021 1.014,1022 8.981,1023 2.556,1024 6.033,1025 7.126,1026 3.628,1027 10.628,1028 5.848,1029 8.809,1030 1,1031 10.726,1032 2.275,1033 6.538,1034 7.988,1035 4.112,1036 12.688,1037 6.209,1038 10.211,1039 1,1040 12.528,1041 2.222,1042 7.974,1043 9.749,1044 5.201,1045 15.296,1046 7.641,1047 11.645,1048 0.678,1049 14.374,1050 2.136,1051 8.858,1052 10.99,1053 5.889,1054 17.671,1055 8.375,1056 13.107,1057 -0.028,1058 16.252,1059 1.478,1060 10.123,1061 12.607,1062 6.849,1063 20.207,1064 9.602,1065 3.374,1066 -0.163,1067 18.156,1068 -0.066,1069 11.182,1070 14.016,1071 7.625,1072 22.68,1073 10.517,1074 2.736,1075 12.404,1076 20.078,1077 -0.375,1078 12.392,1079 15.584,1080 8.526,1081 25.202,1082 11.659,1083 2.524,1084 7.89,1085 22.016,1086 4.697,1087 13.532,1088 17.068,1089 9.342,1090 27.705,1091 12.665,1092 2.401,1093 6.97,1094 23.965,1095 3.444,1096 14.731,1097 18.62,1098 10.216,1099 30.224,1100 13.774,1101 2.311,1102 6.41,1103 25.923,1104 3.393,1105 15.908,1106 20.138,1107 11.051,1108 32.737,1109 14.827,1110 1.732,1111 6.32,1112 27.888,1113 3.012,1114 17.109,1115 21.685,1116 11.912,1117 35.255,1118 15.927,1119 1.572,1120 4.77,1121 29.858,1122 2.43,1123 18.304,1124 23.219,1125 12.755,1126 37.771,1127 17.004,1128 13779,1129 24704,1130 20.455,1131 40.756,1132 46.335,1133 48.047,1134 47.242,1135 46.233,1136 45.989,1137 58.282,1138 4.682,1139 124.002,1140 44.104,1141 5.811,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 18.503,1151 1.448,1152 1.501,1153 1.476,1154 1.445,1155 1.437,1156 1.821,1157 0.146,1158 3.875,1159 1.378,1160 4.075,1161 4.058,1162 4.735,1163 4.064,1164 7.717,1165 3.975,1166 3.925,1167 3.965,1168 3.926,1169 3.83,1170 7.474,1171 3.823,1172 3.822,1173 3.868,1174 3.839,1175 3.714,1176 6.999,1177 3.707,1178 3.687,1179 3.723,1180 3.715,1181 3.591,1182 6.351,1183 3.541,1184 3.581,1185 3.609,1186 3.488,1187 3.444,1188 4.93,1189 3.421,1190 3.479,1191 3.518,1192 3.342,1193 3.347,1194 4.893,1195 3.321,1196 3.227,1197 3.285,1198 3.163,1199 3.063,1200 4.283,1201 3.046,1202 3.006,1203 3.04,1204 3.065,1205 2.762,1206 4.238,1207 2.74,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.073,1217 7.293,1218 0.388,1219 4.291,1220 0.096,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.094,1229 2.039,1230 1.486,1231 2.073,1232 1.902,1233 1.86,1234 1.987,1235 2.012,1236 1.258,1237 2.042,1238 1.819,1239 1.774,1240 1.953,1241 1.953,1242 1.184,1243 1.966,1244 1.647,1245 1.6,1246 1.882,1247 1.827,1248 1.132,1249 1.849,1250 1.528,1251 1.488,1252 1.772,1253 1.72,1254 0.952,1255 1.741,1256 1.414,1257 1.404,1258 1.581,1259 1.585,1260 0.809,1261 1.627,1262 1.209,1263 1.155,1264 1.374,1265 1.402,1266 0.62,1267 1.446,1268 0.947,1269 0.867,1270 1.238,1271 1.268,1272 0.462,1273 1.244,1274 4.174,1276 5.451,1278 6.903,1280 8.431,1282 9.999,1284 1.747,1285 5.808,1289 9.266,1290 6.26,1291 2.62,1294 -0.081,1300 37.819,1301 101.538,1302 217.902,1303 291.876,1304 334.405,1305 338.405,1306 338.405,1307 113.882,1308 6.723,1309 96.36,1310 104.74,1311 12,1312 12.125,1313 4,1314 3.322,1315 73.099,1316 153,1317 151,1318 0.218,1319 245.153,1320 432.34,1321 589.934,1322 7414,1323 1.6,1324 22.692,1325 0.732,1326 0.626,1327 23.442,1328 19.408,1329 14.776,1330 0.462,1331 0.391,1332 10.713,1333 13.286,1334 10.292,1335 8.594,1336 15.885,1337 12.507,1338 13.303,1339 0.317,1340 0.242,1341 15.034,1342 10.145,1343 9.847,1344 0.21,1345 0.151,1346 11.243,1347 7.093,1348 6.785,1349 0.136,1350 0.096,1351 7.818,1352 4.783,1353 5.162,1354 0.091,1355 0.061,1356 6.123,1357 3.458,1358 0.356,1359 103.122,1360 0.221,1361 30.045,1362 0.563,1363 148,1364 456.398,1365 211.911,1366 489.554,1367 627.19,1368 446,1369 163,1370 383.182,1371 226.638,1372 434.171,1373 617.19,1374 405,1375 8.523} {0 CHEMBL136997,1 1.718,2 13.964,3 4.251,4 18.068,5 108.974,6 8.019,7 0.414,8 4.036,9 4.136,10 3.788,11 3.621,12 5.104,13 3.556,14 4.588,15 4.745,16 4.043,17 3.997,18 5.893,19 3.896,20 4.901,21 5.12,22 4.059,23 4.131,24 5.942,25 3.986,26 4.963,27 5.194,28 3.899,29 4.043,30 6.065,31 3.902,32 4.889,33 5.13,34 3.862,35 3.962,36 5.93,37 3.817,38 4.83,39 5.072,40 3.861,41 3.909,42 5.952,43 3.774,44 4.749,45 4.992,46 3.747,47 3.866,48 5.813,49 3.721,50 4.703,51 4.931,52 3.823,53 3.814,54 5.834,55 3.687,56 0.115,57 0.739,58 13.262,59 5.509,60 23.431,61 6.605,62 0.432,63 1.164,64 22.371,65 9.309,66 84.066,67 11.679,68 0.411,69 1.443,70 38.884,71 13.258,72 78.387,73 16.382,74 0.69,75 1.436,76 42.104,77 12.825,78 125.603,79 15.662,80 0.646,81 1.321,82 39.415,83 11.809,84 119.165,85 14.634,86 0.711,87 1.232,88 36.296,89 11.082,90 120.766,91 14.177,92 0.52,93 1.176,94 31.385,95 10.413,96 84.741,97 13.467,98 0.58,99 1.111,100 33.579,101 9.966,102 94.867,103 12.296,104 27,105 38,106 0.287,107 0.599,108 0.76,109 0.87,110 0.883,111 0.883,112 3.373,113 1.15,114 -3.74,115 -3.71,116 -3.53,118 37.7,120 6,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 3,175 3,177 2,180 12,181 2,186 8,191 5,194 11,195 2,198 9,203 5,206 6,207 2,210 5,215 3,218 7,219 1,222 6,227 3,228 1,229 8,230 1,234 4,235 1,237 1,238 1,239 2,242 7,243 1,246 1,247 4,248 2,250 1,252 2,255 7,258 2,259 3,262 2,264 1,267 6,268 2,270 1358,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.432,277 14.051,278 11.222,279 18.782,280 14.296,281 14.296,282 14.296,283 14.296,284 14.296,285 11.36,286 7.461,287 5.316,288 14.967,289 4.01,290 2.146,291 1.184,292 0.528,293 0.453,294 0.453,295 4.038,297 1,299 1,300 1,301 805,302 4.637,306 237.622,313 2.041,314 41.852,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.333,326 391,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.91,337 3.723,338 5.911,339 3.727,340 2.725,341 3.444,343 8.135,344 2.718,345 3.866,346 2.898,347 5.339,348 3.502,349 2.512,350 3.393,352 6.961,353 2.487,354 3.835,355 2.719,356 5.149,357 3.313,358 2.401,359 3.03,361 6.32,362 2.159,363 3.086,364 2.158,365 4.733,366 2.724,367 1.757,368 2.292,370 4.771,371 1.687,372 2.951,373 1.953,374 3.936,375 2.576,376 1.599,377 2.113,379 3.519,380 1.554,381 2.801,382 1.644,383 3.733,384 2.526,385 1.566,386 1.787,388 3.32,389 1.438,390 2.559,391 1.564,392 3.598,393 2.317,394 1.329,395 1.531,397 2.922,398 1.299,399 2.5,400 1.128,401 3.414,402 2.002,403 1.019,404 1.5,406 2.275,407 1,408 2.5,409 1,410 3.35,411 2,412 1,413 1.5,415 2.219,416 0.996,417 2.134,418 1,419 3.247,420 1.956,421 1,422 1.097,424 2.136,425 0.953,426 1.698,427 0.889,428 3.047,429 1.55,430 0.571,431 0.616,433 1.267,434 0.554,435 1.12,436 0.574,437 2.717,438 0.947,439 -0.031,440 -0.033,442 -0.072,443 -0.03,444 1.083,445 0.415,446 2.544,447 0.613,448 -0.223,449 -0.277,451 -0.492,452 -0.151,453 1,454 0.082,455 2.14,456 0.551,457 -0.419,458 -0.468,460 -0.948,461 -0.407,462 13.681,463 0.489,464 0.704,465 0.025,466 33,467 1.179,468 16.5,469 0.589,470 16.5,471 0.589,472 25.518,473 0.911,474 31.919,475 0.602,476 24.082,477 0.86,478 6.019,479 0.215,480 7.362,481 0.263,482 0.15,483 0.061,484 0.183,487 0.587,488 1.323,489 0.754,490 1.197,491 0.672,492 1.004,493 0.476,494 1.187,495 0.81,496 1.063,497 0.443,498 1.103,499 0.831,500 1.131,501 1.015,502 1.127,503 0.79,504 1.053,505 1.297,506 0.99,507 1.064,508 1.006,509 1.312,510 1.018,511 1.204,512 0.923,513 0.783,514 0.847,515 1.303,516 0.949,517 0.95,518 0.913,519 0.804,520 0.905,521 1.032,522 0.944,523 0.882,524 0.946,525 0.792,526 0.883,527 0.923,528 0.955,529 1.05,530 0.957,531 0.977,532 1.028,533 1.119,534 0.966,535 6,536 0.099,537 3.333,538 1.563,539 0.893,540 0.75,541 0.407,542 0.297,543 0.317,544 0.202,545 10921,546 36360,547 1.947,548 47.2,549 10,550 8,552 2,553 2,554 1,555 2,558 1.704,559 1.816,560 3.727,561 0.282,563 1,567 91.045,568 1.718,569 3.582,570 4.544,571 5.2,572 5.275,573 5.275,574 3.226,575 3.923,576 4.781,577 3.935,578 1487.31,579 8.28,580 21734.7,582 1,584 1,585 303.58,586 1.496,587 4.724,588 0.207,589 0.005,590 0.088,591 0.042,592 0.029,593 0.027,594 0.015,595 0.011,596 0.012,597 0.008,598 0.442,599 0.33,600 0.88,601 0.787,602 146.041,603 0.037,604 -0.069,605 0.132,606 -0.031,607 -0.092,608 0.03,609 0.255,610 -0.053,611 0.006,612 -0.052,613 0.274,614 -0.11,615 -0.039,616 -0.125,617 -0.029,618 -0.08,620 -0.038,621 -0.198,622 -0.03,623 -0.125,624 -0.04,625 -0.15,626 -0.061,627 -0.157,628 0.017,629 0.025,630 0.062,631 -0.175,632 0.001,633 0.045,634 0.007,635 0.068,636 0.006,637 -0.012,638 0.024,639 0.012,640 0.001,641 0.037,642 0.03,643 -0.027,644 0.018,645 -0.004,646 0.016,647 0.011,648 -0.038,649 -0.078,650 0.004,651 4.486,652 5.171,653 0.429,654 29.5,655 1.01,656 1.126,657 2.515,658 6.323,659 0.669,660 3.401,661 3.664,662 3.784,663 3.85,664 3.951,665 3.871,666 3.761,667 3.689,668 3.738,669 3.664,670 8.139,671 0.627,672 424.99,673 3.401,674 4.905,675 5.694,676 6.524,677 7.33,678 8.163,679 8.975,680 9.811,681 10.627,682 11.465,683 3.8,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 53,726 15,727 1,728 29,730 54,731 20,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 7,847 1,850 1,861 1,862 7.5,864 1,865 3,869 15.417,870 8.96,871 6.319,872 3.261,874 1.721,875 1.262,876 0.924,877 9.066,878 8.283,879 3.664,880 4.19,881 4.543,882 4.905,883 5.317,884 5.245,885 5.16,886 4.813,887 4.958,888 5.023,889 1,890 37,891 10.619,893 4.648,894 8.072,895 19.626,897 15.92,899 2.572,900 72.028,903 1,904 270.735,905 107.219,906 33.191,907 39.149,908 112.141,910 5.807,911 101.412,912 422.025,913 33.191,915 17.313,916 79.07,917 153.379,918 26.332,920 247.193,921 39.149,922 270.735,923 134.603,924 112.141,925 44.956,927 247.193,928 135.683,931 51.813,932 66.004,933 61.742,935 270.735,936 145.332,937 146.368,939 5.807,940 270.735,941 26.46,942 74.952,943 16.405,944 168.075,945 270.735,946 145.332,947 146.368,949 0.571,950 0.312,951 0.145,952 0.074,953 14,954 7,955 0.222,956 12,958 1,959 4.097,960 207.605,962 12,963 128.606,967 1,968 22.509,969 11.278,970 8.017,972 145.332,973 13.316,974 4.055,978 1.737,980 59.088,981 562.435,982 38,986 -3.57,987 35.786,991 -0.798,994 53.516,995 59.681,996 0.3,997 0.625,998 0.793,999 0.908,1000 0.921,1001 0.921,1002 4.868,1003 1.329,1004 5.68,1005 3.32,1006 4.344,1007 4.875,1008 2.258,1009 6.441,1010 4.253,1011 6.065,1012 1.019,1013 7.225,1014 2.922,1015 4.007,1016 4.879,1017 2.243,1018 7.63,1019 3.783,1020 7.384,1021 1,1022 8.897,1023 2.275,1024 5.943,1025 7.096,1026 3.628,1027 10.586,1028 5.738,1029 8.751,1030 1,1031 10.654,1032 2.219,1033 6.463,1034 7.97,1035 4.112,1036 12.68,1037 6.103,1038 10.163,1039 0.571,1040 12.471,1041 2.136,1042 7.907,1043 9.738,1044 5.201,1045 15.287,1046 7.547,1047 11.607,1048 -0.031,1049 14.33,1050 1.267,1051 8.809,1052 10.984,1053 5.889,1054 17.673,1055 8.295,1056 13.077,1057 -0.223,1058 16.221,1059 -0.072,1060 10.08,1061 12.604,1062 6.849,1063 20.208,1064 9.528,1065 3.374,1066 -0.419,1067 18.134,1068 -0.492,1069 11.151,1070 14.015,1071 7.625,1072 22.684,1073 10.458,1074 2.725,1075 12.404,1076 20.064,1077 -0.948,1078 12.367,1079 15.583,1080 8.526,1081 25.204,1082 11.605,1083 2.512,1084 8.135,1085 22.008,1086 4.697,1087 13.514,1088 17.068,1089 9.342,1090 27.708,1091 12.621,1092 2.401,1093 6.961,1094 23.961,1095 3.444,1096 14.716,1097 18.62,1098 10.216,1099 30.225,1100 13.735,1101 1.757,1102 6.32,1103 25.922,1104 3.393,1105 15.897,1106 20.138,1107 11.051,1108 32.738,1109 14.794,1110 1.599,1111 4.771,1112 27.889,1113 3.03,1114 17.1,1115 21.685,1116 11.912,1117 35.256,1118 15.898,1119 1.566,1120 3.519,1121 29.86,1122 2.292,1123 18.297,1124 23.219,1125 12.755,1126 37.772,1127 16.979,1128 10862,1129 20040,1130 18.663,1131 35.472,1132 41.92,1133 43.497,1134 42.794,1135 41.961,1136 41.704,1137 54,1138 4.682,1139 112.494,1140 39.819,1141 5.809,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 15.649,1151 1.446,1152 1.5,1153 1.476,1154 1.447,1155 1.438,1156 1.862,1157 0.161,1158 3.879,1159 1.373,1160 4.074,1161 4.055,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.914,1167 3.954,1168 3.925,1169 3.817,1170 7.474,1171 3.814,1172 3.787,1173 3.833,1174 3.835,1175 3.668,1176 6.999,1177 3.661,1178 3.665,1179 3.688,1180 3.679,1181 3.577,1182 6.351,1183 3.519,1184 3.488,1185 3.519,1186 3.375,1187 3.366,1188 4.93,1189 3.331,1190 3.326,1191 3.36,1192 3.203,1193 3.133,1194 4.893,1195 3.133,1196 3.034,1197 3.079,1198 3.156,1199 2.775,1200 4.274,1201 2.775,1202 2.894,1203 2.963,1204 2.87,1205 2.735,1206 4.184,1207 2.715,1208 0.167,1209 0.161,1210 0.251,1211 0.148,1212 0.116,1213 4.844,1214 0.162,1215 4.683,1216 0.081,1217 7.293,1218 0.428,1219 4.291,1220 0.106,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.062,1229 2.03,1230 1.42,1231 2.068,1232 1.889,1233 1.849,1234 1.977,1235 2.008,1236 1.256,1237 2.027,1238 1.779,1239 1.733,1240 1.948,1241 1.925,1242 1.152,1243 1.941,1244 1.595,1245 1.558,1246 1.812,1247 1.777,1248 1.017,1249 1.797,1250 1.416,1251 1.406,1252 1.591,1253 1.591,1254 0.813,1255 1.629,1256 1.26,1257 1.226,1258 1.351,1259 1.481,1260 0.603,1261 1.488,1262 0.959,1263 0.895,1264 1.181,1265 1.245,1266 0.457,1267 1.251,1268 0.886,1269 0.821,1270 1.152,1271 1.13,1272 0.262,1273 1.15,1274 4.078,1276 5.352,1278 6.808,1280 8.344,1282 9.92,1285 5.767,1289 9.393,1290 4.218,1291 2.537,1294 -0.412,1300 33.238,1301 91.045,1302 189.857,1303 240.851,1304 275.58,1305 279.58,1306 279.58,1307 96.047,1308 6.562,1309 96.36,1310 104.74,1311 12,1312 12.037,1313 4,1314 3.322,1315 62.39,1316 139,1317 120,1318 0.212,1319 216.376,1320 380.44,1321 519.718,1322 6225,1323 1.9,1324 20.408,1325 0.729,1326 0.612,1327 21.158,1328 17.124,1329 13.382,1330 0.461,1331 0.383,1332 9.319,1333 11.892,1334 8.987,1335 7.468,1336 14.492,1337 11.113,1338 11.984,1339 0.315,1340 0.233,1341 13.715,1342 8.84,1343 8.872,1344 0.206,1345 0.145,1346 10.268,1347 6.214,1348 6.365,1349 0.138,1350 0.089,1351 7.398,1352 4.109,1353 4.676,1354 0.092,1355 0.057,1356 5.637,1357 2.919,1358 0.349,1359 94.759,1360 0.231,1361 27.807,1362 0.536,1363 134,1364 442.398,1365 197.911,1366 474.496,1367 606.53,1368 432,1369 148,1370 368.182,1371 211.638,1372 417.753,1373 594.94,1374 390,1375 7.046} {0 CHEMBL137187,1 1.784,2 14.065,3 3.337,4 11.132,5 117.299,6 8.211,7 0.375,8 4.116,9 4.218,10 3.87,11 3.671,12 5.231,13 3.623,14 4.66,15 4.816,16 4.137,17 4.037,18 6.013,19 3.955,20 4.972,21 5.191,22 4.162,23 4.175,24 6.193,25 4.043,26 5.02,27 5.259,28 3.986,29 4.12,30 6.075,31 3.984,32 4.992,33 5.23,34 4.01,35 4.084,36 6.035,37 3.955,38 4.997,39 5.231,40 4.026,41 4.063,42 6.145,43 3.945,44 4.952,45 5.191,46 3.905,47 4.026,48 6.009,49 3.901,50 4.902,51 5.131,52 3.959,53 3.995,54 6.065,55 3.878,56 0.157,57 0.816,58 13.492,59 5.654,60 28.956,61 6.694,62 0.54,63 1.259,64 23.076,65 9.457,66 90.273,67 11.827,68 0.812,69 1.542,70 41.166,71 13.312,72 135.946,73 16.834,74 0.794,75 1.547,76 43.853,77 13.142,78 132.511,79 16.675,80 0.778,81 1.483,82 42.077,83 12.604,84 138.421,85 16.003,86 0.962,87 1.446,88 41.347,89 12.487,90 162.365,91 16.025,92 0.803,93 1.416,94 38.157,95 11.705,96 138.445,97 15.238,98 0.823,99 1.35,100 38.848,101 11.544,102 123.417,103 14.533,104 40,105 42,106 0.293,107 0.619,108 0.777,109 0.877,110 0.889,111 0.889,112 3.471,113 1.108,114 -2.79,115 -2.8,116 -2.71,118 36.8,120 6,124 1,126 1,140 6,141 1,142 2,143 2,154 2,163 1,167 1,168 9,171 1,172 2,173 1,175 4,177 3,178 1,180 10,185 1,186 6,189 2,190 1,191 5,194 9,198 9,203 5,206 5,207 2,210 7,215 3,218 6,219 2,222 8,226 1,227 5,229 7,230 2,234 4,237 1,239 4,242 7,243 1,247 5,250 3,252 2,253 1,255 5,256 1,258 1,259 5,260 1,262 1,263 1,264 4,267 4,268 1,270 1973,271 20.266,272 20.266,273 20.266,274 20.266,275 20.266,276 18.178,277 18.748,278 12.324,279 20.676,280 15.769,281 15.769,282 15.769,283 15.769,284 15.769,285 12.595,286 15.097,287 5.861,288 16.481,289 4.049,290 2.065,291 1.101,292 0.491,293 0.421,294 0.421,295 4.136,297 1,299 1,300 1,301 892,302 5.05,306 268.499,313 1.877,314 49.187,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 68.833,326 436,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 1.437,334 12.404,335 3.062,336 4.018,337 3.843,338 5.815,339 3.732,340 2.736,341 3.444,342 1.058,343 7.89,344 2.71,345 3.897,346 2.93,347 5.346,348 3.516,349 2.524,350 3.393,352 6.97,353 2.502,354 3.835,355 2.898,356 5.226,357 3.316,358 2.401,359 3.304,361 6.41,362 2.287,363 3.412,364 2.723,365 5.149,366 3.302,367 2.311,368 2.432,370 6.32,371 2.158,372 3.085,373 2.47,374 4.733,375 2.687,376 1.732,377 2.292,379 4.77,380 1.64,381 2.936,382 1.966,383 3.75,384 2.536,385 1.572,386 2.101,388 3.358,389 1.495,390 2.688,391 1.644,392 3.688,393 2.473,394 1.506,395 1.659,397 3.211,398 1.411,399 2.591,400 1.592,401 3.526,402 2.149,403 1.147,404 1.5,406 2.556,407 1.131,408 2.5,409 1.135,410 3.414,411 2.014,412 1.014,413 1.5,415 2.275,416 1.001,417 2.5,418 1,419 3.35,420 2,421 1,422 1.458,424 2.222,425 1,426 2.179,427 1,428 3.247,429 1.956,430 1,431 1.14,433 2.136,434 0.953,435 1.805,436 0.993,437 3.102,438 1.66,439 0.678,440 0.737,442 1.478,443 0.66,444 1.12,445 0.601,446 2.733,447 0.953,448 -0.028,449 -0.031,451 -0.066,452 -0.027,453 1.115,454 0.508,455 2.545,456 0.812,457 -0.163,458 -0.184,460 -0.375,461 -0.132,462 14.914,463 0.481,464 0.81,465 0.026,466 36.75,467 1.185,468 18,469 0.581,470 18.75,471 0.605,472 28.588,473 0.922,474 35.486,475 0.623,476 29.23,477 0.943,478 6.933,479 0.224,480 7.843,481 0.253,482 0.16,483 0.056,484 0.201,487 0.622,488 1.375,489 0.747,490 1.204,491 0.655,492 0.995,493 0.499,494 1.249,495 0.807,496 1.089,497 0.454,498 1.112,499 0.66,500 1.076,501 1.006,502 1.088,503 0.592,504 1.043,505 1.021,506 0.987,507 1.028,508 1.006,509 0.981,510 1.015,511 1.023,512 0.968,513 0.774,514 0.889,515 1.08,516 0.983,517 0.974,518 0.925,519 0.833,520 0.927,521 1.053,522 0.995,523 1.077,524 0.933,525 0.853,526 0.873,527 1.107,528 0.979,529 1.032,530 0.964,531 0.989,532 0.96,533 1.047,534 0.962,535 7,536 0.215,537 3.556,538 1.563,539 1.053,540 0.917,541 0.407,542 0.359,543 0.37,544 0.296,545 13784,546 49658,547 1.934,548 45.6,549 6,550 9,552 2,553 3,555 6,558 1.736,559 1.797,560 3.751,561 0.94,563 1,567 101.66,568 1.784,569 3.768,570 4.732,571 5.342,572 5.412,573 5.412,574 3.168,575 4.478,576 4.928,577 3.943,578 1833.49,579 8.602,580 28885.8,585 332.475,586 1.532,587 4.867,588 0.219,589 0.007,590 0.085,591 0.038,592 0.03,593 0.027,594 0.012,595 0.011,596 0.011,597 0.009,598 0.448,599 0.33,600 0.75,601 1.098,602 166.146,603 0.003,604 -0.089,605 0.119,606 -0.032,607 -0.086,608 0.029,609 0.235,610 -0.094,611 0.008,612 -0.072,613 0.247,614 -0.124,615 0.126,616 -0.054,617 -0.012,618 -0.045,619 0.168,620 -0.028,621 -0.139,622 -0.01,623 -0.092,624 -0.03,625 -0.088,626 -0.029,627 -0.122,628 -0.011,629 0.028,630 0.027,631 -0.13,632 -0.01,633 -0.005,634 -0.002,635 0.026,636 -0.02,637 -0.06,638 -0.02,639 -0.135,640 0.005,641 -0.029,642 0.025,643 -0.157,644 -0.01,645 -0.051,646 0.001,647 -0.039,648 0.008,649 -0.076,650 0.013,651 4.531,652 5.255,653 0.387,654 34.735,655 1.017,656 1.13,657 1.558,658 2.427,659 0.665,660 3.497,661 3.761,662 3.871,663 3.932,664 4.06,665 3.989,666 3.871,667 3.85,668 3.892,669 3.932,670 8.342,671 0.631,672 468.02,673 3.497,674 5.004,675 5.79,676 6.619,677 7.424,678 8.255,679 9.066,680 9.901,681 10.715,682 11.552,683 5.3,685 1,690 1,693 1,699 8,700 1,704 3,706 12,723 1,724 57,726 16,727 1,728 32,730 58,731 21,733 11,734 2,735 4,736 2,739 2,740 2,741 1,751 7,753 13,754 8,756 4,760 1,761 4,765 2,769 1,772 26,773 8,774 3,775 10,776 2,779 3,784 1,785 5,795 1,802 2,816 1,818 1,830 1,832 2,834 1,837 1,840 31,844 1,845 1,846 7,847 2,850 1,861 1,862 8.8,864 1,865 4,869 17.25,870 9.626,871 6.986,872 3.427,874 1.664,875 1.248,876 0.921,877 10.25,878 8.387,879 3.761,880 4.277,881 4.625,882 4.942,883 5.355,884 5.286,885 5.182,886 4.868,887 4.992,888 5.179,889 1,890 41,891 11.748,893 5.155,894 8.184,895 21.411,897 17.18,899 2.684,900 83.194,904 270.735,905 111.924,906 51.201,907 39.149,908 137.286,910 5.807,911 106.117,912 447.17,913 51.201,915 35.324,916 79.07,917 183.228,918 26.332,920 247.193,921 39.149,922 270.735,923 157.318,924 137.286,925 44.956,927 200.109,928 207.913,931 69.823,932 70.709,933 61.742,935 270.735,936 188.487,937 151.073,939 5.807,940 270.735,941 31.164,942 74.952,943 34.416,944 193.22,945 270.735,946 188.487,947 151.073,949 0.573,950 0.311,951 0.139,952 0.075,953 15,954 8,955 0.224,956 13,958 1,959 4.315,960 240.248,962 12,963 145.58,967 1,968 25.121,969 12.649,970 9.256,972 188.487,973 13.177,974 4.06,978 1.665,980 77.099,981 610.296,982 42,986 -3.615,987 46.944,991 -2.553,994 57.945,995 64.388,996 0.306,997 0.646,998 0.811,999 0.916,1000 0.928,1001 0.928,1002 4.97,1003 1.506,1004 5.778,1005 3.358,1006 4.443,1007 4.963,1008 1.997,1009 6.529,1010 4.356,1011 6.166,1012 1.147,1013 7.318,1014 3.211,1015 4.111,1016 4.966,1018 7.673,1019 3.909,1020 7.482,1021 1.014,1022 8.981,1023 2.556,1024 6.033,1025 7.164,1026 2.487,1027 10.628,1028 5.835,1029 8.843,1030 1,1031 10.726,1032 2.275,1033 6.538,1034 8.031,1036 12.688,1037 6.202,1038 10.247,1039 1,1040 12.528,1041 2.222,1042 7.974,1043 9.784,1044 3.063,1045 15.296,1046 7.623,1047 11.683,1048 0.678,1049 14.374,1050 2.136,1051 8.858,1052 11.022,1054 17.671,1055 8.363,1056 13.145,1057 -0.028,1058 16.252,1059 1.478,1060 10.123,1061 12.632,1062 3.7,1063 20.207,1064 9.582,1065 3.374,1066 -0.163,1067 18.156,1068 -0.066,1069 11.182,1070 14.037,1072 22.68,1073 10.501,1074 2.736,1075 12.404,1076 20.078,1077 -0.375,1078 12.392,1079 15.6,1080 4.375,1081 25.202,1082 11.639,1083 2.524,1084 7.89,1085 22.016,1086 4.697,1087 13.532,1088 17.081,1090 27.705,1091 12.647,1092 2.401,1093 6.97,1094 23.965,1095 3.444,1096 14.731,1097 18.629,1098 5.073,1099 30.224,1100 13.755,1101 2.311,1102 6.41,1103 25.923,1104 3.393,1105 15.908,1106 20.145,1108 32.737,1109 14.809,1110 1.732,1111 6.32,1112 27.888,1113 3.304,1114 17.109,1115 21.69,1116 5.783,1117 35.255,1118 15.908,1119 1.572,1120 4.77,1121 29.858,1122 2.432,1123 18.304,1124 23.222,1126 37.771,1127 16.986,1128 13779,1129 26392,1130 20.455,1131 37.932,1132 46.453,1133 48.675,1134 47.242,1135 46.237,1136 45.989,1137 59.312,1138 4.99,1139 124.002,1140 44.02,1141 5.811,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 2.873,1148 19.553,1149 5.062,1150 18.503,1151 1.452,1152 1.521,1153 1.476,1154 1.445,1155 1.437,1156 1.854,1157 0.156,1158 3.875,1159 1.376,1160 4.074,1161 4.056,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.915,1167 3.957,1168 3.926,1169 3.815,1170 7.53,1171 3.812,1172 3.792,1173 3.843,1174 3.836,1175 3.656,1176 7.368,1177 3.65,1178 3.673,1179 3.699,1180 3.7,1181 3.574,1182 6.999,1183 3.519,1184 3.54,1185 3.534,1186 3.487,1187 3.368,1188 6.349,1189 3.347,1190 3.475,1191 3.516,1192 3.341,1193 3.265,1194 4.93,1195 3.303,1196 3.212,1197 3.266,1198 3.163,1199 3.032,1200 4.893,1201 3.023,1202 2.932,1203 3.014,1204 3.054,1205 2.759,1206 4.29,1207 2.737,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.045,1217 7.293,1218 0.388,1219 4.291,1220 0.096,1221 3.374,1222 4.697,1223 1.437,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.06,1229 2.032,1230 1.415,1231 2.069,1232 1.887,1233 1.846,1234 1.976,1235 2.009,1236 1.256,1237 2.029,1238 1.774,1239 1.72,1240 1.948,1241 1.933,1242 1.151,1243 1.945,1244 1.595,1245 1.557,1246 1.812,1247 1.793,1248 1.014,1249 1.804,1250 1.418,1251 1.408,1252 1.599,1253 1.662,1254 0.812,1255 1.636,1256 1.368,1257 1.365,1258 1.42,1259 1.583,1260 0.606,1261 1.601,1262 1.168,1263 1.126,1264 1.296,1265 1.387,1266 0.457,1267 1.408,1268 0.939,1269 0.862,1270 1.181,1271 1.173,1272 0.289,1273 1.212,1274 4.174,1276 5.451,1278 6.903,1280 8.431,1282 9.999,1285 5.778,1289 8.854,1290 4.114,1291 5.069,1294 -0.298,1300 35.974,1301 101.66,1302 214.752,1303 269.746,1304 304.475,1305 308.475,1306 308.475,1307 115.554,1308 6.723,1309 125.46,1310 133.84,1311 12,1312 12.125,1313 4.087,1314 3.459,1315 73.099,1316 153,1317 151,1318 0.218,1319 233.832,1320 414.89,1321 562.309,1322 7414,1323 1.8,1324 22.692,1325 0.732,1326 0.598,1327 23.442,1328 18.532,1329 14.776,1330 0.462,1331 0.369,1332 9.992,1333 13.158,1334 9.666,1335 8.033,1336 15.885,1337 11.818,1338 13.303,1339 0.317,1340 0.221,1341 15.034,1342 9.28,1343 9.847,1344 0.21,1345 0.136,1346 11.243,1347 6.395,1348 6.785,1349 0.136,1350 0.085,1351 7.818,1352 4.254,1353 5.162,1354 0.091,1355 0.054,1356 6.123,1357 3.065,1358 0.356,1359 104.108,1360 0.221,1361 30.045,1362 0.563,1363 148,1364 524.466,1365 216.179,1366 549.454,1367 699.83,1368 500,1369 163,1370 429.79,1371 230.962,1372 478.163,1373 683.1,1374 446,1375 6.824} {0 CHEMBL137402,1 1.638,2 14.161,3 5.439,4 29.577,5 123.191,6 7.534,7 0.375,8 4.178,9 4.288,10 3.864,11 3.753,12 5.201,13 3.679,14 4.747,15 4.921,16 4.124,17 4.137,18 5.972,19 4.024,20 5.056,21 5.282,22 4.137,23 4.296,24 6.026,25 4.136,26 5.147,27 5.395,28 3.996,29 4.268,30 6.103,31 4.092,32 5.152,33 5.428,34 3.988,35 4.219,36 6.017,37 4.036,38 5.101,39 5.363,40 3.995,41 4.174,42 6.089,43 4.008,44 5.055,45 5.32,46 3.883,47 4.152,48 5.943,49 3.98,50 5.016,51 5.262,52 3.928,53 4.146,54 5.975,55 3.982,56 0.098,57 0.855,58 16.342,59 6.542,60 21.083,61 8.228,62 0.416,63 1.355,64 27.854,65 11.116,66 83.529,67 14.447,68 0.369,69 1.689,70 44.328,71 15.406,72 77.248,73 19.697,74 0.522,75 1.771,76 48.218,77 15.81,78 104.714,79 20.663,80 0.543,81 1.735,82 49.452,83 15.472,84 99.381,85 20.768,86 0.693,87 1.613,88 45.947,89 14.611,90 121.137,91 19.625,92 0.501,93 1.581,94 41.947,95 13.99,96 95.923,97 18.804,98 0.484,99 1.559,100 43.278,101 13.764,102 87.735,103 17.84,104 40,105 42,106 0.265,107 0.565,108 0.758,109 0.869,110 0.879,111 0.879,112 3.471,113 1.172,114 -4.39,115 -4.32,116 -4.08,118 37.1,119 1,120 8,121 1,124 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 14,169 1,171 1,172 3,175 3,177 2,180 17,181 1,186 7,191 4,194 16,195 1,198 9,203 4,206 11,207 2,210 5,215 3,218 11,219 2,222 7,227 5,229 11,230 2,234 6,239 4,242 11,243 1,247 7,252 2,253 1,255 10,256 1,259 6,260 1,262 1,263 1,264 2,267 9,268 2,270 1964,271 20.266,272 20.266,273 20.266,274 20.266,275 20.266,276 18.217,277 13.695,278 12.333,279 20.643,280 15.772,281 15.772,282 15.772,283 15.772,284 15.772,285 12.724,286 5.928,287 5.862,288 16.441,289 4.316,290 2.466,291 1.28,292 0.593,293 0.528,294 0.528,295 4.136,297 1,299 1,300 1,301 898,302 4.899,306 266.481,313 1.973,314 41.374,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 67.333,326 439,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 4.16,337 3.597,338 6.021,339 3.79,340 2.795,341 3.773,343 8.547,344 2.781,345 3.835,346 3.007,347 5.345,348 3.518,349 2.518,350 3.393,352 6.98,353 2.516,354 3.613,355 2.898,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.393,364 2.477,365 4.733,366 3.143,367 2.137,368 2.429,370 5.058,371 2.123,372 3.085,373 1.967,374 4.612,375 2.698,376 1.736,377 2.292,379 4.77,380 1.665,381 2.938,382 1.845,383 4.224,384 2.604,385 1.622,386 2.102,388 3.977,389 1.575,390 2.85,391 1.608,392 3.733,393 2.485,394 1.512,395 1.986,397 3.316,398 1.415,399 2.65,400 1.487,401 3.61,402 2.348,403 1.414,404 1.646,406 2.997,407 1.317,408 2.5,409 1.185,410 3.414,411 2.081,412 1.088,413 1.5,415 2.396,416 1.078,417 2.231,418 1.112,419 3.407,420 2,421 1,422 1.206,424 2.275,425 1,426 1.922,427 1,428 3.252,429 1.815,430 0.838,431 0.878,433 1.811,434 0.813,435 1.575,436 0.827,437 2.87,438 1.434,439 0.441,440 0.475,442 0.97,443 0.434,444 1.243,445 0.567,446 2.739,447 1.061,448 0.082,449 0.091,451 0.185,452 0.08,453 1.12,454 0.404,455 2.563,456 0.749,457 -0.192,458 -0.22,460 -0.422,461 -0.136,462 15.181,463 0.49,464 0.81,465 0.026,466 34.5,467 1.113,468 16.5,469 0.532,470 18,471 0.581,472 32.401,473 1.045,474 35.819,475 0.578,476 25.09,477 0.809,478 6.102,479 0.197,480 8.674,481 0.28,482 0.168,483 0.055,484 0.198,487 0.582,488 1.343,489 0.787,490 1.223,491 0.667,492 1.057,493 0.465,494 1.174,495 0.808,496 1.059,497 0.419,498 1.091,499 0.832,500 1.115,501 1.025,502 1.111,503 0.782,504 1.068,505 0.982,506 1.081,507 1.006,508 1.069,509 0.984,510 1.086,511 0.829,512 0.913,513 0.691,514 0.843,515 0.875,516 0.919,517 0.818,518 0.927,519 0.764,520 0.909,521 0.891,522 0.955,523 0.927,524 0.915,525 0.781,526 0.841,527 0.94,528 0.932,529 1.039,530 1.018,531 1.035,532 1.034,533 0.998,534 1.022,535 7,536 0.186,537 3.778,538 1.625,539 1.084,540 0.806,541 0.447,542 0.328,543 0.345,544 0.297,545 13940,546 43705,547 1.934,548 50,549 16,550 7,552 2,553 2,554 2,555 2,558 1.735,559 1.797,560 3.757,561 0.225,567 101.538,568 1.638,569 3.488,570 4.674,571 5.361,572 5.426,573 5.426,574 3.189,575 4.696,576 4.929,577 3.964,578 1843.38,579 8.598,580 29232.4,585 369.16,586 1.532,587 4.867,588 0.219,589 0.006,590 0.09,591 0.04,592 0.031,593 0.024,594 0.014,595 0.01,596 0.01,597 0.009,598 0.453,599 0.17,600 0.75,601 1.098,602 166.551,603 0.046,604 -0.062,605 0.131,606 -0.025,607 -0.085,608 0.027,609 0.263,610 -0.033,611 0.032,612 -0.026,613 0.289,614 -0.067,615 -0.052,616 -0.089,617 -0.049,618 -0.059,619 -0.006,620 -0.048,621 -0.102,622 -0.098,623 -0.105,624 -0.094,625 -0.067,626 -0.105,627 -0.032,628 0.031,629 0.089,630 0.057,631 -0.049,632 0.046,633 0.074,634 -0.004,635 0.071,636 -0.002,637 0.018,638 0.016,639 -0.075,640 0.026,641 0.019,642 0.061,643 -0.09,644 0.037,645 -0.115,646 -0.021,647 -0.089,648 -0.044,649 -0.101,650 -0.044,651 4.457,652 5.297,653 0.387,654 35.353,655 1.003,656 1.128,657 3.159,658 9.981,659 0.657,660 3.497,661 3.761,662 3.871,663 3.951,664 4.078,665 4.007,666 3.892,667 3.85,668 3.892,669 3.912,670 8.465,671 0.61,672 467.08,673 3.497,674 5.004,675 5.79,676 6.621,677 7.427,678 8.261,679 9.075,680 9.912,681 10.729,682 11.568,683 3.2,685 1,693 1,699 7,700 1,704 4,706 12,723 1,724 62,726 15,727 1,728 32,730 63,731 23,733 11,734 2,735 4,739 2,740 2,741 1,745 1,751 8,753 12,754 11,755 1,756 3,760 1,761 3,765 1,772 31,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,837 1,840 31,844 1,845 1,846 9,847 1,850 1,861 1,862 6.5,864 1,865 3,869 17.25,870 10.876,871 6.986,872 3.92,874 1.724,875 1.255,876 0.921,877 10.625,878 8.482,879 3.738,880 4.263,881 4.605,882 4.972,883 5.391,884 5.348,885 5.219,886 4.888,887 4.989,888 5.121,889 1,890 41,891 11.727,893 5.043,894 7.974,895 22.034,897 17.903,899 2.474,900 76.694,904 341.362,905 114.823,906 33.191,907 39.149,908 112.141,910 5.807,911 109.016,912 492.652,913 33.191,914 8.825,915 22.382,916 69.594,917 153.379,918 29.517,920 317.82,921 39.149,922 341.362,923 142.206,924 112.141,925 44.956,927 317.82,928 135.683,931 65.707,932 59.714,933 61.742,935 341.362,936 145.332,937 153.972,939 5.807,940 341.362,941 34.714,942 74.301,943 16.405,944 168.075,945 341.362,946 145.332,947 153.972,949 0.571,950 0.305,951 0.142,952 0.077,953 15,954 8,955 0.222,956 14,958 1,959 4.324,960 239.53,962 12,963 147.58,967 1,968 25.481,969 12.926,970 9.488,972 145.332,973 11.756,974 4.178,978 3.146,980 59.088,981 640.665,982 41,986 -3.54,987 35.587,991 -0.774,994 62.167,995 69.926,996 0.275,997 0.586,998 0.785,999 0.9,1000 0.911,1001 0.911,1002 4.949,1003 1.512,1004 5.778,1005 3.977,1006 4.443,1007 4.949,1008 2.258,1009 6.532,1010 4.361,1011 6.145,1012 1.414,1013 7.318,1014 3.316,1015 4.111,1016 4.977,1017 2.243,1018 7.687,1019 3.911,1020 7.463,1021 1.088,1022 8.982,1023 2.997,1024 6.033,1025 7.164,1026 3.628,1027 10.644,1028 5.848,1029 8.828,1030 1,1031 10.728,1032 2.396,1033 6.538,1034 8.052,1035 4.112,1036 12.712,1037 6.21,1038 10.235,1039 0.838,1040 12.533,1041 2.275,1042 7.976,1043 9.804,1044 5.201,1045 15.319,1046 7.644,1047 11.675,1048 0.441,1049 14.383,1050 1.811,1051 8.864,1052 11.057,1053 5.889,1054 17.693,1055 8.385,1056 13.141,1057 0.082,1058 16.264,1059 0.97,1060 10.131,1061 12.666,1062 6.849,1063 20.226,1064 9.614,1065 3.374,1066 -0.192,1067 18.17,1068 0.185,1069 11.193,1070 14.076,1071 7.625,1072 22.696,1073 10.538,1074 2.795,1075 12.404,1076 20.095,1077 -0.422,1078 12.405,1079 15.636,1080 8.526,1081 25.214,1082 11.683,1083 2.518,1084 8.547,1085 22.034,1086 4.697,1087 13.546,1088 17.117,1089 9.342,1090 27.714,1091 12.695,1092 2.401,1093 6.98,1094 23.984,1095 3.773,1096 14.745,1097 18.661,1098 10.216,1099 30.231,1100 13.807,1101 2.137,1102 6.32,1103 25.941,1104 3.393,1105 15.922,1106 20.175,1107 11.051,1108 32.742,1109 14.863,1110 1.736,1111 5.058,1112 27.906,1113 2.74,1114 17.122,1115 21.716,1116 11.912,1117 35.259,1118 15.964,1119 1.622,1120 4.77,1121 29.875,1122 2.429,1123 18.316,1124 23.245,1125 12.755,1126 37.774,1127 17.043,1128 13941,1129 24970,1130 20.455,1131 40.756,1132 45.88,1133 47.757,1134 47.303,1135 46.211,1136 45.921,1137 58.414,1138 4.682,1139 124.015,1140 44.039,1141 5.811,1142 6.683,1143 7.041,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 18.692,1151 1.434,1152 1.492,1153 1.478,1154 1.444,1155 1.435,1156 1.825,1157 0.146,1158 3.875,1159 1.376,1160 4.076,1161 4.059,1162 4.735,1163 4.064,1164 7.717,1165 3.975,1166 3.941,1167 3.978,1168 3.926,1169 3.854,1170 7.474,1171 3.849,1172 3.816,1173 3.865,1174 3.867,1175 3.709,1176 6.999,1177 3.697,1178 3.677,1179 3.709,1180 3.693,1181 3.587,1182 6.351,1183 3.531,1184 3.536,1185 3.555,1186 3.446,1187 3.393,1188 4.93,1189 3.361,1190 3.477,1191 3.521,1192 3.339,1193 3.318,1194 4.882,1195 3.311,1196 3.223,1197 3.272,1198 3.163,1199 3.039,1200 4.28,1201 3.032,1202 3.118,1203 3.22,1204 3.065,1205 2.901,1206 4.227,1207 2.89,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.073,1217 7.293,1218 0.388,1219 4.291,1220 0.096,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.093,1229 2.042,1230 1.48,1231 2.073,1232 1.918,1233 1.88,1234 2.005,1235 2.017,1236 1.267,1237 2.046,1238 1.821,1239 1.772,1240 1.953,1241 1.955,1242 1.183,1243 1.975,1244 1.625,1245 1.581,1246 1.859,1247 1.807,1248 1.119,1249 1.83,1250 1.47,1251 1.429,1252 1.732,1253 1.686,1254 0.957,1255 1.696,1256 1.413,1257 1.407,1258 1.547,1259 1.586,1260 0.814,1261 1.626,1262 1.182,1263 1.136,1264 1.474,1265 1.401,1266 0.604,1267 1.435,1268 1.121,1269 1.024,1270 1.323,1271 1.382,1272 0.492,1273 1.411,1274 4.174,1276 5.451,1278 6.903,1280 8.436,1282 10.013,1284 2.073,1285 5.806,1289 9.034,1290 6.491,1291 2.618,1294 0.32,1300 37.819,1301 101.538,1302 216.282,1303 289.776,1304 332.405,1305 336.405,1306 336.405,1307 110.162,1308 6.758,1309 96.36,1310 104.74,1311 12,1312 12.139,1313 4,1314 3.322,1315 73.184,1316 156,1317 151,1318 0.215,1319 245.153,1320 432.34,1321 589.934,1322 7916,1323 1.6,1324 22.692,1325 0.732,1326 0.628,1327 23.442,1328 19.461,1329 14.776,1330 0.462,1331 0.391,1332 10.709,1333 13.279,1334 10.281,1335 8.572,1336 15.885,1337 12.503,1338 13.335,1339 0.317,1340 0.239,1341 15.066,1342 10.044,1343 9.683,1344 0.206,1345 0.152,1346 11.079,1347 7.157,1348 6.929,1349 0.136,1350 0.093,1351 7.962,1352 4.762,1353 5.277,1354 0.091,1355 0.059,1356 6.238,1357 3.441,1358 0.351,1359 103.122,1360 0.221,1361 30.098,1362 0.55,1363 148,1364 458.398,1365 211.911,1366 491.33,1367 630,1368 448,1369 163,1370 385.182,1371 225.974,1372 436.184,1373 619.47,1374 407,1375 9} {0 CHEMBL137505,1 1.691,2 15.469,3 3.649,4 13.312,5 109.075,6 7.535,7 0.364,8 4.173,9 4.289,10 3.859,11 3.715,12 5.3,13 3.661,14 4.718,15 4.889,16 4.072,17 4.087,18 5.994,19 3.991,20 5.038,21 5.273,22 4.076,23 4.237,24 6.028,25 4.094,26 5.118,27 5.372,28 3.991,29 4.211,30 6.128,31 4.063,32 5.097,33 5.361,34 3.939,35 4.176,36 6.06,37 4.024,38 5.075,39 5.337,40 3.923,41 4.144,42 6.075,43 3.989,44 5.037,45 5.294,46 3.951,47 4.114,48 6.044,49 3.966,50 5.001,51 5.252,52 3.947,53 4.078,54 6.173,55 3.946,56 0.158,57 0.911,58 15.71,59 6.117,60 30.979,61 7.622,62 0.459,63 1.38,64 25.645,65 10.232,66 91.442,67 13.38,68 0.445,69 1.687,70 40.729,71 13.964,72 89.915,73 18.494,74 0.639,75 1.713,76 44.822,77 13.981,78 122.688,79 18.99,80 0.602,81 1.65,82 42.803,83 13.488,84 120.526,85 18.939,86 0.706,87 1.589,88 42.228,89 13.416,90 132.833,91 18.619,92 0.694,93 1.548,94 40.308,95 12.695,96 126.321,97 17.549,98 0.688,99 1.511,100 40.617,101 12.194,102 149.175,103 16.389,104 35,105 42,106 0.273,107 0.583,108 0.75,109 0.873,110 0.884,111 0.884,112 3.501,113 1.106,114 -3.19,115 -3.19,116 -3.06,118 36.1,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,164 1,167 1,168 13,169 1,170 1,171 1,172 5,173 1,175 3,177 2,180 13,181 1,186 9,191 4,194 13,195 1,196 2,198 8,203 4,206 10,207 4,208 2,210 5,215 3,218 10,219 4,221 2,222 5,225 1,227 4,229 10,230 2,234 6,236 2,239 4,241 1,242 9,243 1,247 8,248 2,252 2,253 2,255 7,256 1,259 7,260 1,262 1,263 1,264 2,267 7,268 1,269 1,270 2078,271 21.344,272 21.344,273 21.344,274 21.344,275 21.344,276 18.924,277 15.98,278 13.298,279 21.623,280 16.277,281 16.277,282 16.277,283 16.277,284 16.277,285 12.876,286 7.177,287 6.272,288 16.738,289 4.239,290 2.323,291 1.287,292 0.525,293 0.459,294 0.459,295 4.17,299 1,300 1,301 1011,302 5.05,306 277.832,313 2.219,314 43.567,317 1,318 0.5,319 0.83,320 1,321 1,322 0.67,323 0.5,324 0.79,325 70.5,326 495,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 2.341,334 12.404,335 3.065,336 3.946,337 3.597,338 5.371,339 3.558,340 2.562,341 3.523,343 7.047,344 2.552,345 3.898,346 2.725,347 5.368,348 3.479,349 2.502,350 3.444,352 7.023,353 2.46,354 3.612,355 2.614,356 5.313,357 3.47,358 2.476,359 2.74,361 6.896,362 2.44,363 3.391,364 2.465,365 4.83,366 3.141,367 2.135,368 2.568,370 5.057,371 2.121,372 3.283,373 1.949,374 4.611,375 2.755,376 1.779,377 2.427,379 5.009,380 1.731,381 2.936,382 1.642,383 3.75,384 2.584,385 1.597,386 2.101,388 3.362,389 1.576,390 2.884,391 1.591,392 3.667,393 2.497,394 1.523,395 1.911,397 3.201,398 1.481,399 2.65,400 1.19,401 3.414,402 2.092,403 1.103,404 1.643,406 2.372,407 1.089,408 2.5,409 1.17,410 3.378,411 2.053,412 1.057,413 1.5,415 2.275,416 1.052,417 2.5,418 1.033,419 3.275,420 2,421 1,422 1.5,424 2.136,425 1,426 2.215,427 1,428 3.247,429 1.956,430 1,431 1.192,433 1.899,434 0.953,435 1.922,436 1,437 3.117,438 1.812,439 0.832,440 0.876,442 1.748,443 0.811,444 1.544,445 0.781,446 2.836,447 1.413,448 0.42,449 0.448,451 0.922,452 0.414,453 1.409,454 0.385,455 2.67,456 0.95,457 -0.031,458 -0.033,460 -0.07,461 -0.03,462 15.167,463 0.474,464 0.683,465 0.021,466 37.5,467 1.172,468 19,469 0.594,470 18.5,471 0.578,472 30.192,473 0.944,474 36.433,475 0.597,476 28.7,477 0.897,478 6.973,479 0.218,480 8.43,481 0.263,482 0.114,483 0.055,484 0.165,487 0.548,488 1.242,489 0.864,490 1.292,491 0.61,492 1.069,493 0.448,494 1.183,495 0.929,496 1.187,497 0.394,498 1.183,499 0.798,500 1.103,501 1.056,502 1.152,503 0.708,504 1.079,505 1.013,506 0.99,507 1.077,508 1.041,509 0.929,510 1.033,511 0.899,512 0.941,513 0.924,514 0.97,515 0.921,516 0.999,517 0.878,518 0.894,519 0.918,520 0.96,521 0.925,522 0.996,523 0.934,524 0.905,525 0.907,526 0.933,527 0.928,528 0.985,529 1.039,530 0.917,531 1.083,532 1.011,533 0.911,534 0.975,535 6.5,536 0.169,537 3.111,538 1.313,539 0.933,540 0.896,541 0.487,542 0.328,543 0.32,544 0.237,545 15557,546 51230,547 1.954,548 47.5,549 13,550 8,552 2,553 2,554 2,555 2,558 1.742,559 1.837,560 3.88,561 0.27,563 1,567 103.176,568 1.691,569 3.607,570 4.643,571 5.406,572 5.472,573 5.472,574 3.34,575 4.265,576 4.971,577 4.073,578 2020.41,579 8.682,580 33051.6,582 1,585 361.775,586 1.392,587 4.927,588 0.197,589 0.005,590 0.074,591 0.032,592 0.025,593 0.026,594 0.014,595 0.01,596 0.009,597 0.007,598 0.4,599 0.33,600 0.75,601 1.231,602 174.461,603 0.111,604 0.056,605 0.175,606 -0.024,607 -0.026,608 0.019,609 0.28,610 -0.049,611 -0.011,612 -0.09,613 0.279,614 -0.136,615 -0.035,616 -0.115,617 -0.023,618 -0.063,619 0.012,620 -0.034,621 -0.108,622 -0.054,623 -0.068,624 -0.033,625 -0.046,626 -0.027,627 -0.056,628 -0.035,629 0.011,630 -0.009,631 -0.058,632 0.009,633 0.021,634 -0.003,635 0.027,636 0.006,637 -0.035,638 0.012,639 0.006,640 0.001,641 0.048,642 0.031,643 -0.054,644 0.015,645 -0.033,646 0.029,647 -0.03,648 -0.001,649 0.051,650 0.014,651 4.544,652 5.367,653 0.375,654 40.621,655 1.008,656 1.135,657 1.964,658 3.859,659 0.65,660 3.526,661 3.761,662 3.871,663 3.97,664 4.094,665 4.06,666 4.06,667 3.989,668 3.912,669 3.912,670 8.939,671 0.614,672 459.63,673 3.526,674 5.017,675 5.796,676 6.619,677 7.418,678 8.246,679 9.055,680 9.888,681 10.702,682 11.538,683 8.2,685 1,693 1,696 1,697 1,699 8,700 1,704 3,706 12,724 61,726 17,727 1,728 33,730 62,731 22,733 11,734 2,735 4,739 2,740 2,751 8,753 12,754 10,755 1,756 5,760 1,761 3,764 1,765 1,769 1,772 29,773 8,774 2,775 10,776 1,779 5,780 1,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,840 32,844 1,845 1,846 9,847 1,850 1,862 6.6,864 1,865 3,869 17.417,870 10.433,871 7.375,872 3.825,874 2.003,875 1.293,876 0.911,877 10.865,878 8.836,879 3.807,880 4.304,881 4.644,882 5.056,883 5.478,884 5.539,885 5.827,886 5.803,887 5.175,888 5.27,889 1,890 41,891 12.05,893 5.166,894 8.091,895 22.329,897 17.89,899 2.591,900 82.917,904 317.82,905 111.545,906 96.718,908 112.141,910 5.807,911 105.737,912 429.961,913 96.718,915 12.673,916 71.112,917 117.684,918 34.023,919 11.771,920 235.422,922 317.82,923 202.455,924 112.141,925 5.807,927 235.422,928 102.589,931 47.941,932 76.445,933 33.571,935 317.82,936 208.859,937 111.545,939 5.807,940 317.82,941 30.785,942 74.952,943 16.405,944 192.454,945 317.82,946 208.859,947 111.545,949 0.557,950 0.297,951 0.146,952 0.079,953 14,954 7,955 0.242,956 15,958 1,959 4.479,960 246.978,962 12,963 154,967 1,968 25.52,969 13.624,970 9.961,972 193.544,973 13.24,974 4.114,978 1.637,980 59.088,981 638.224,982 44,986 -3.627,987 35.703,990 3.423,991 -0.79,994 61.498,995 69.232,996 0.285,997 0.608,998 0.783,999 0.912,1000 0.923,1001 0.923,1002 4.997,1003 1.523,1004 5.759,1005 3.362,1006 4.443,1007 4.99,1008 2.258,1009 6.491,1010 4.384,1011 6.177,1012 1.103,1013 7.277,1014 3.201,1015 4.007,1016 4.879,1017 2.243,1018 7.618,1019 3.849,1020 7.477,1021 1.057,1022 8.922,1023 2.372,1024 6.004,1025 7.176,1026 3.628,1027 10.576,1028 5.845,1029 8.826,1030 1,1031 10.656,1032 2.275,1033 6.447,1034 7.972,1035 4.112,1036 12.655,1037 6.14,1038 10.22,1039 1,1040 12.454,1041 2.136,1042 7.923,1043 9.782,1044 5.201,1045 15.263,1046 7.604,1047 11.649,1048 0.832,1049 14.3,1050 1.899,1051 8.781,1052 10.991,1053 5.889,1054 17.653,1055 8.295,1056 13.106,1057 0.42,1058 16.183,1059 1.748,1060 10.066,1061 12.629,1062 6.849,1063 20.191,1064 9.537,1065 3.374,1066 -0.031,1067 18.093,1068 0.922,1069 11.12,1070 14.024,1071 7.625,1072 22.672,1073 10.43,1074 2.562,1075 12.404,1076 20.023,1077 -0.07,1078 12.342,1079 15.599,1080 8.526,1081 25.195,1082 11.579,1083 2.502,1084 7.047,1085 21.968,1086 4.697,1087 13.484,1088 17.077,1089 9.342,1090 27.701,1091 12.576,1092 2.476,1093 7.023,1094 23.924,1095 3.523,1096 14.692,1097 18.63,1098 10.216,1099 30.221,1100 13.691,1101 2.135,1102 6.896,1103 25.889,1104 3.444,1105 15.873,1106 20.146,1107 11.051,1108 32.736,1109 14.742,1110 1.779,1111 5.057,1112 27.86,1113 2.74,1114 17.08,1115 21.693,1116 11.912,1117 35.254,1118 15.847,1119 1.597,1120 5.009,1121 29.835,1122 2.568,1123 18.279,1124 23.225,1125 12.755,1126 37.771,1127 16.927,1128 15566,1129 28540,1130 21.435,1131 39.631,1132 47.069,1133 48.166,1134 47.919,1135 46.799,1136 46.72,1137 61.143,1138 4.682,1139 122.702,1140 45.494,1141 5.811,1142 6.683,1143 7.095,1144 5.34,1145 5.374,1146 7.697,1147 3.925,1148 19.557,1149 5.065,1150 17.483,1151 1.426,1152 1.46,1153 1.452,1154 1.418,1155 1.416,1156 1.853,1157 0.142,1158 3.718,1159 1.379,1160 4.08,1161 4.068,1162 4.735,1163 4.061,1164 7.717,1165 3.975,1166 3.92,1167 3.962,1168 3.838,1169 3.825,1170 7.474,1171 3.819,1172 3.808,1173 3.859,1174 3.758,1175 3.698,1176 6.999,1177 3.688,1178 3.708,1179 3.741,1180 3.688,1181 3.583,1182 6.727,1183 3.539,1184 3.548,1185 3.58,1186 3.445,1187 3.392,1188 6.351,1189 3.367,1190 3.479,1191 3.534,1192 3.336,1193 3.311,1194 4.896,1195 3.306,1196 3.269,1197 3.362,1198 3.246,1199 3.039,1200 4.752,1201 3.039,1202 3.196,1203 3.247,1204 3.07,1205 2.831,1206 4.245,1207 2.905,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.292,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.065,1226 1.96,1227 1.966,1228 2.09,1229 2.047,1230 1.479,1231 2.079,1232 1.899,1233 1.856,1234 1.987,1235 2.021,1236 1.257,1237 2.042,1238 1.808,1239 1.761,1240 1.971,1241 1.948,1242 1.169,1243 1.961,1244 1.628,1245 1.585,1246 1.855,1247 1.823,1248 1.114,1249 1.838,1250 1.464,1251 1.435,1252 1.716,1253 1.686,1254 0.897,1255 1.689,1256 1.431,1257 1.402,1258 1.542,1259 1.634,1260 0.797,1261 1.653,1262 1.192,1263 1.138,1264 1.326,1265 1.474,1266 0.58,1267 1.451,1268 1.005,1269 0.913,1270 1.181,1271 1.359,1272 0.462,1273 1.331,1274 4.205,1276 5.46,1278 6.893,1280 8.408,1282 9.969,1289 9.012,1290 6.25,1291 2.583,1294 0.299,1300 37.475,1301 103.176,1302 220.045,1303 283.246,1304 329.775,1305 333.775,1306 333.775,1307 115.263,1308 6.833,1309 145.12,1310 153.5,1311 12,1312 12.112,1313 4.17,1314 3.585,1315 77.153,1316 173,1317 178,1318 0.208,1319 241.756,1320 427.55,1321 581.645,1322 8822,1324 23.236,1325 0.726,1326 0.586,1327 23.486,1328 18.759,1329 15.403,1330 0.467,1331 0.369,1332 10.689,1333 14.011,1334 10.374,1335 8.655,1336 16.224,1337 12.171,1338 13.366,1339 0.318,1340 0.224,1341 14.69,1342 9.409,1343 9.684,1344 0.206,1345 0.142,1346 10.792,1347 6.697,1348 7.208,1349 0.139,1350 0.088,1351 8.075,1352 4.576,1353 5.419,1354 0.092,1355 0.054,1356 6.112,1357 3.18,1358 0.343,1359 105.122,1360 0.216,1361 31.062,1362 0.529,1363 150,1364 511.422,1365 201.916,1366 513.943,1367 660.76,1368 468,1369 164,1370 425.143,1371 220.518,1372 464.358,1373 652.62,1374 432,1375 8.398} {0 CHEMBL138325,1 1.749,2 11.444,3 3.651,4 13.331,5 104.27,6 8.219,7 0.429,8 3.983,9 4.08,10 3.761,11 3.572,12 5.072,13 3.511,14 4.529,15 4.68,16 4.02,17 3.947,18 5.871,19 3.852,20 4.837,21 5.048,22 4.027,23 4.088,24 5.897,25 3.946,26 4.893,27 5.119,28 3.933,29 4.034,30 5.967,31 3.891,32 4.872,33 5.113,34 4.005,35 4.016,36 5.896,37 3.871,38 4.852,39 5.077,40 4.061,41 4.017,42 6.017,43 3.888,44 4.822,45 5.043,46 3.896,47 3.998,48 5.967,49 3.871,50 4.757,51 4.971,52 3.831,53 3.961,54 5.871,55 3.84,56 0.122,57 0.7,58 12.189,59 5.165,60 24.191,61 6.054,62 0.439,63 1.1,64 20.475,65 8.692,66 81.942,67 10.723,68 0.458,69 1.368,70 36.619,71 12.481,72 83.325,73 15.133,74 0.615,75 1.408,76 38.287,77 12.155,78 109.769,79 14.879,80 0.617,81 1.402,82 39.009,83 11.866,84 102.542,85 14.563,86 0.7,87 1.355,88 38.771,89 11.815,90 112.514,91 14.543,92 0.653,93 1.306,94 34.528,95 11.354,96 113.52,97 13.957,98 0.469,99 1.233,100 32.192,101 10.808,102 82.739,103 13.43,104 32,105 37,106 0.296,107 0.618,108 0.774,109 0.867,110 0.881,111 0.881,112 3.339,113 1.137,114 -3.52,115 -3.5,116 -3.34,118 38,120 5,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 3,175 3,177 2,180 11,181 1,186 7,191 5,194 10,195 1,198 8,203 5,206 5,207 1,210 6,213 1,215 3,218 6,219 1,222 8,227 3,229 9,230 1,233 2,234 6,239 2,242 10,243 1,247 6,252 1,253 1,255 10,256 1,259 5,260 1,262 1,263 1,264 1,267 8,268 1,270 1377,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.725,277 12.219,278 10.809,279 18.066,280 13.816,281 13.816,282 13.816,283 13.816,284 13.816,285 10.875,286 6.485,287 5.161,288 14.479,289 3.895,290 1.992,291 1.07,292 0.52,293 0.44,294 0.44,295 4.002,297 1,299 1,300 1,301 627,302 4.528,306 217.864,313 1.679,314 40.534,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 59.333,326 309,327 4.845,328 4.684,329 7.293,330 4.294,331 3.377,332 4.697,333 2.341,334 12.408,335 3.07,336 4.069,337 3.596,338 6.134,339 3.82,340 2.826,341 3.548,343 9.021,344 2.804,345 3.834,346 3.066,347 5.149,348 3.31,349 2.399,350 3.393,352 6.32,353 2.222,354 3.55,355 2.898,356 4.743,357 3.24,358 2.235,359 2.71,361 5.185,362 2.156,363 3.22,364 1.999,365 4.659,366 2.903,367 1.928,368 2.4,370 4.874,371 1.877,372 3.073,373 1.827,374 4.481,375 2.589,376 1.635,377 2.278,379 4.55,380 1.552,381 2.712,382 1.673,383 3.656,384 2.525,385 1.548,386 1.737,388 3.206,389 1.441,390 2.5,391 1.282,392 3.517,393 2.155,394 1.18,395 1.5,397 2.694,398 1.147,399 2.5,400 1.13,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.472,409 1,410 3.284,411 1.956,412 1,413 1.456,415 2.136,416 0.953,417 1.919,418 1,419 3.247,420 1.812,421 0.831,422 0.871,424 1.794,425 0.809,426 1.469,427 0.766,428 2.871,429 1.297,430 0.33,431 0.358,433 0.754,434 0.316,435 1.119,436 0.539,437 2.642,438 0.725,439 -0.214,440 -0.253,442 -0.47,443 -0.144,444 1,445 0.359,446 2.296,447 0.586,448 -0.286,449 -0.325,451 -0.637,452 -0.275,453 0.886,454 -0.045,455 2.192,456 0.196,457 -0.775,458 -0.978,460 -1.74,461 -0.746,462 13.181,463 0.488,464 0.704,465 0.026,466 32.5,467 1.204,468 16.5,469 0.611,470 16,471 0.593,472 23.974,473 0.888,474 30.619,475 0.612,476 24.488,477 0.907,478 6.01,479 0.223,480 6.872,481 0.255,482 0.155,483 0.063,484 0.19,487 0.589,488 1.315,489 0.743,490 1.188,491 0.677,492 0.984,493 0.481,494 1.172,495 0.802,496 1.046,497 0.443,498 1.086,499 0.867,500 1.124,501 1.042,502 1.11,503 0.82,504 1.049,505 1.089,506 1.074,507 1.012,508 1.015,509 1.082,510 1.037,511 0.964,512 0.926,513 0.763,514 0.853,515 0.995,516 0.914,517 0.833,518 1.001,519 0.904,520 1.049,521 0.883,522 0.961,523 1.027,524 0.899,525 0.913,526 0.905,527 1.108,528 0.947,529 0.969,530 1.041,531 0.969,532 1.027,533 0.986,534 1.036,535 6,536 0.19,537 3.333,538 1.438,539 0.853,540 0.951,541 0.549,542 0.34,543 0.279,544 0.214,545 8460,546 30461,547 1.946,548 46,549 8,550 8,552 2,553 2,554 2,555 1,558 1.704,559 1.81,560 3.462,561 0.304,563 1,567 87.44,568 1.749,569 3.652,570 4.574,571 5.124,572 5.204,573 5.204,574 2.911,575 4.236,576 4.721,577 3.652,578 1281.91,579 8.217,580 17304.8,582 1,584 1,585 282.193,586 1.525,587 4.669,588 0.214,589 0.009,590 0.09,591 0.04,592 0.027,593 0.03,594 0.016,595 0.01,596 0.009,597 0.008,598 0.452,599 0.33,600 0.88,601 1.683,602 135.715,603 0.033,604 -0.072,605 0.132,606 -0.033,607 -0.097,608 0.032,609 0.253,610 -0.042,611 0.006,612 -0.043,613 0.278,614 -0.105,615 -0.069,616 -0.116,617 -0.052,618 -0.059,619 -0.022,620 -0.034,621 -0.151,622 -0.085,623 -0.088,624 -0.041,625 -0.112,626 -0.064,627 -0.087,628 0.083,629 0.087,630 0.101,631 -0.101,632 0.052,633 0.066,634 -0.005,635 0.068,636 -0.029,637 0.04,638 0.031,639 -0.078,640 0.087,641 -0.053,642 0.053,643 -0.091,644 0.024,645 -0.11,646 -0.057,647 -0.1,648 -0.07,649 -0.103,650 -0.05,651 4.55,652 5.495,653 0.444,654 27.852,655 1.013,656 1.125,657 2.292,658 5.251,659 0.674,660 3.367,661 3.638,662 3.761,663 3.871,664 4.043,665 4.043,666 3.989,667 3.951,668 4.007,669 4.025,670 6.872,671 0.634,672 410.96,673 3.367,674 4.875,675 5.666,676 6.506,677 7.322,678 8.168,679 8.996,680 9.847,681 10.681,682 11.537,683 4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 50,726 15,727 1,728 28,730 51,731 19,733 11,734 2,735 4,739 2,740 2,741 1,751 5,753 12,754 7,755 1,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 27,844 1,845 1,846 6,847 1,850 1,861 1,862 8,864 1,865 3,869 14.917,870 8.46,871 6.069,872 3.011,874 1.751,875 1.269,876 0.925,877 8.391,878 8.256,879 3.638,880 4.174,881 4.533,882 4.931,883 5.384,884 5.402,885 5.428,886 5.261,887 5.503,888 5.81,889 0.875,890 36,891 10.232,893 4.492,894 8.112,895 18.81,897 15.254,899 2.612,900 70.528,902 1,903 1,904 247.193,905 104.685,906 33.191,907 39.149,908 112.141,910 5.807,911 98.877,912 398.483,913 33.191,915 14.778,916 79.07,917 153.379,918 26.332,920 223.651,921 39.149,922 247.193,923 132.068,924 112.141,925 44.956,927 235.422,928 123.912,931 49.278,932 66.004,933 61.742,935 247.193,936 145.332,937 143.834,939 5.807,940 247.193,941 23.925,942 74.952,943 16.405,944 168.075,945 247.193,946 145.332,947 143.834,949 0.571,950 0.302,951 0.143,952 0.079,953 14,954 7,955 0.216,956 11,958 1,959 3.88,960 205.993,962 12,963 122.382,967 1,968 21.52,969 10.528,970 7.393,972 145.332,973 13.162,974 4.116,978 1.594,980 59.088,981 536.358,982 37,986 -3.633,987 35.584,991 -0.797,994 50.633,995 56.265,996 0.31,997 0.647,998 0.81,999 0.908,1000 0.922,1001 0.922,1002 4.844,1003 1.18,1004 5.659,1005 3.206,1006 4.317,1007 4.86,1008 2.258,1009 6.435,1010 4.224,1011 6.049,1012 1,1013 7.21,1014 2.694,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.783,1020 7.372,1021 1,1022 8.888,1023 2.275,1024 5.927,1025 7.091,1026 3.628,1027 10.614,1028 5.717,1029 8.743,1030 0.831,1031 10.652,1032 2.136,1033 6.463,1034 7.971,1035 4.112,1036 12.714,1037 6.102,1038 10.158,1039 0.33,1040 12.475,1041 1.794,1042 7.904,1043 9.74,1044 5.201,1045 15.329,1046 7.539,1047 11.604,1048 -0.214,1049 14.34,1050 0.754,1051 8.817,1052 10.99,1053 5.889,1054 17.711,1055 8.305,1056 13.077,1057 -0.286,1058 16.236,1059 -0.47,1060 10.09,1061 12.61,1062 6.849,1063 20.244,1064 9.541,1065 3.377,1066 -0.775,1067 18.154,1068 -0.637,1069 11.17,1070 14.022,1071 7.625,1072 22.713,1073 10.488,1074 2.826,1075 12.408,1076 20.087,1077 -1.74,1078 12.388,1079 15.591,1080 8.526,1081 25.23,1082 11.641,1083 2.399,1084 9.021,1085 22.033,1086 4.697,1087 13.539,1088 17.076,1089 9.342,1090 27.729,1091 12.671,1092 2.235,1093 6.32,1094 23.987,1095 3.548,1096 14.743,1097 18.627,1098 10.216,1099 30.243,1100 13.792,1101 1.928,1102 5.185,1103 25.948,1104 3.393,1105 15.926,1106 20.145,1107 11.051,1108 32.753,1109 14.863,1110 1.635,1111 4.874,1112 27.914,1113 2.71,1114 17.13,1115 21.691,1116 11.912,1117 35.268,1118 15.972,1119 1.548,1120 4.55,1121 29.885,1122 2.4,1123 18.327,1124 23.224,1125 12.755,1126 37.783,1127 17.061,1128 8600,1129 16485,1130 17.97,1131 33.71,1132 40.609,1133 42.107,1134 41.468,1135 40.831,1136 40.578,1137 52.893,1138 4.682,1139 110.431,1140 38.692,1141 5.801,1142 6.684,1143 7.095,1144 5.345,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.07,1150 15.347,1151 1.45,1152 1.504,1153 1.481,1154 1.458,1155 1.449,1156 1.889,1157 0.167,1158 3.944,1159 1.382,1160 4.081,1161 4.067,1162 4.736,1163 4.067,1164 7.717,1165 3.98,1166 3.913,1167 3.945,1168 3.925,1169 3.829,1170 7.474,1171 3.824,1172 3.734,1173 3.786,1174 3.849,1175 3.599,1176 6.999,1177 3.589,1178 3.653,1179 3.664,1180 3.607,1181 3.574,1182 6.351,1183 3.506,1184 3.5,1185 3.524,1186 3.402,1187 3.342,1188 4.931,1189 3.331,1190 3.253,1191 3.287,1192 3.179,1193 3.054,1194 4.892,1195 3.055,1196 2.933,1197 2.999,1198 3.11,1199 2.735,1200 4.272,1201 2.715,1202 2.854,1203 2.925,1204 2.72,1205 2.673,1206 4.184,1207 2.674,1208 0.173,1209 0.167,1210 0.26,1211 0.153,1212 0.121,1213 4.845,1214 0.168,1215 4.684,1216 0.084,1217 7.293,1218 0.443,1219 4.294,1220 0.11,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.07,1226 1.962,1227 1.969,1228 2.067,1229 2.052,1230 1.419,1231 2.082,1232 1.895,1233 1.861,1234 1.953,1235 1.984,1236 1.221,1237 2.011,1238 1.728,1239 1.675,1240 1.936,1241 1.894,1242 1.138,1243 1.911,1244 1.548,1245 1.528,1246 1.74,1247 1.734,1248 0.891,1249 1.749,1250 1.415,1251 1.404,1252 1.55,1253 1.616,1254 0.783,1255 1.635,1256 1.184,1257 1.149,1258 1.269,1259 1.399,1260 0.539,1261 1.417,1262 0.886,1263 0.821,1264 1.181,1265 1.181,1266 0.376,1267 1.193,1268 0.871,1269 0.806,1270 1.11,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.323,1278 6.786,1280 8.331,1282 9.921,1285 5.813,1289 8.706,1290 3.36,1291 2.66,1294 -0.036,1300 31.711,1301 87.44,1302 182.577,1303 228.683,1304 256.193,1305 260.193,1306 260.193,1307 87.956,1308 6.506,1309 96.36,1310 104.74,1311 12,1312 12.096,1313 4,1314 3.322,1315 58.21,1316 105,1317 121,1318 0.254,1319 206.784,1320 363.14,1321 496.312,1322 4875,1323 2,1324 19.7,1325 0.73,1326 0.608,1327 20.45,1328 16.417,1329 12.882,1330 0.46,1331 0.379,1332 8.819,1333 11.388,1334 8.496,1335 7.054,1336 13.992,1337 10.613,1338 11.674,1339 0.316,1340 0.229,1341 13.406,1342 8.486,1343 8.453,1344 0.201,1345 0.141,1346 9.833,1347 5.934,1348 6.16,1349 0.131,1350 0.084,1351 7.182,1352 3.963,1353 4.794,1354 0.086,1355 0.053,1356 5.87,1357 2.995,1358 0.402,1359 91.759,1360 0.236,1361 26.302,1362 0.688,1363 130,1364 438.398,1365 193.911,1366 470.248,1367 600.71,1368 428,1369 144,1370 364.182,1371 207.141,1372 413.415,1373 588.68,1374 386,1375 6.658} {0 CHEMBL138328,1 1.66,2 15.03,3 3.814,4 14.546,5 127.1,6 7.642,7 0.353,8 4.233,9 4.33,10 4.03,11 3.82,12 5.25,13 3.734,14 4.812,15 4.971,16 4.219,17 4.189,18 6.172,19 4.08,20 5.124,21 5.341,22 4.203,23 4.332,24 6.197,25 4.183,26 5.192,27 5.429,28 4.085,29 4.302,30 6.248,31 4.145,32 5.177,33 5.439,34 4.031,35 4.255,36 6.123,37 4.079,38 5.119,39 5.377,40 4.126,41 4.214,42 5.995,43 4.043,44 5.107,45 5.339,46 4.107,47 4.181,48 6.443,49 4.043,50 5.072,51 5.313,52 3.966,53 4.15,54 6.121,55 3.999,56 0.159,57 0.934,58 19.525,59 7.443,60 35.213,61 8.61,62 0.577,63 1.473,64 31.828,65 12.346,66 121.339,67 15.022,68 0.58,69 1.825,70 47.054,71 16.32,72 119.445,73 20.056,74 0.715,75 1.865,76 50.178,77 16.376,78 141.878,79 20.8,80 0.686,81 1.794,82 49.832,83 16.164,84 136.315,85 20.95,86 0.691,87 1.718,88 49.38,89 15.339,90 137.724,91 19.951,92 1.091,93 1.677,94 46.382,95 14.47,96 228.242,97 18.511,98 0.763,99 1.64,100 46.179,101 13.923,102 143.254,103 17.492,104 56,105 46,106 0.265,107 0.551,108 0.742,109 0.856,110 0.876,111 0.876,112 3.531,113 1.267,114 -3.34,115 -3.32,116 -3.18,118 35.4,120 8,121 1,123 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 2,172 3,175 3,177 2,180 13,181 1,186 11,191 4,194 13,195 1,198 12,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 5,227 4,229 10,230 2,233 4,234 6,237 2,239 4,242 9,243 1,247 7,252 2,253 1,255 7,256 1,259 8,260 1,262 1,263 1,264 2,267 7,268 1,270 2198,271 21.239,272 21.239,273 21.239,274 21.239,275 21.239,276 18.993,277 14.389,278 12.825,279 21.723,280 16.786,281 16.786,282 16.786,283 16.786,284 16.786,285 13.325,286 7.162,287 6.106,288 17.612,289 4.362,290 2.571,291 1.374,292 0.658,293 0.535,294 0.535,295 4.195,300 1,301 1011,302 5.431,306 287.177,313 2.154,314 56.057,317 1,318 0.67,319 0.83,320 1,321 1,322 0.67,323 0.5,324 0.81,325 73,326 496,327 4.861,328 5.18,329 7.295,330 4.303,331 3.392,332 4.728,333 2.95,334 12.409,335 3.069,336 4.778,337 4.683,338 7.108,339 4.155,340 3.286,341 4.62,342 2.341,343 11.648,344 2.812,345 3.898,346 3.597,347 5.37,348 3.558,349 2.562,350 3.444,352 7.047,353 2.552,354 3.612,355 2.725,356 5.313,357 3.471,358 2.476,359 3.077,361 6.896,362 2.46,363 3.58,364 2.644,365 4.978,366 3.141,367 2.135,368 2.74,370 5.67,371 2.122,372 3.391,373 2.465,374 4.611,375 3.026,376 2.043,377 2.427,379 5.056,380 1.998,381 2.936,382 1.977,383 4.545,384 2.64,385 1.658,386 2.101,388 4.271,389 1.626,390 2.898,391 1.654,392 3.746,393 2.509,394 1.541,395 2.026,397 3.348,398 1.49,399 2.648,400 1.606,401 3.665,402 2.332,403 1.356,404 1.642,406 3.196,407 1.314,408 2.5,409 1.19,410 3.414,411 2.084,412 1.093,413 1.5,415 2.369,416 1.081,417 2.5,418 1.144,419 3.362,420 2,421 1,422 1.5,424 2.275,425 1,426 2.215,427 1,428 3.248,429 1.956,430 1,431 1.192,433 2.136,434 0.953,435 1.921,436 1,437 3.247,438 1.812,439 0.833,440 0.875,442 1.805,443 0.811,444 1.544,445 0.903,446 2.919,447 1.413,448 0.419,449 0.448,451 0.922,452 0.413,453 1.083,454 0.725,455 2.767,456 0.945,457 -0.037,458 -0.04,460 -0.087,461 -0.037,462 15.967,463 0.484,464 1.01,465 0.031,466 38.75,467 1.174,468 19.5,469 0.591,470 19.25,471 0.583,472 32.736,473 0.992,474 38.633,475 0.594,476 30.796,477 0.933,478 6.767,479 0.205,480 8.81,481 0.267,482 0.157,483 0.104,484 0.157,487 0.519,488 1.363,489 0.909,490 1.356,491 0.671,492 1.09,493 0.494,494 1.197,495 0.996,496 1.172,497 0.452,498 1.133,499 0.916,500 1.081,501 1.045,502 1.069,503 0.871,504 1.061,505 0.989,506 1.022,507 1.02,508 1.007,509 0.939,510 1.058,511 0.842,512 0.909,513 0.756,514 0.819,515 0.835,516 0.973,517 0.745,518 0.98,519 0.809,520 0.968,521 0.8,522 0.959,523 0.826,524 0.972,525 0.933,526 0.936,527 0.779,528 0.977,529 1.182,530 0.929,531 1.094,532 0.936,533 1.1,534 0.977,535 8.5,536 0.202,537 4,538 1.813,539 1.013,540 0.993,541 0.692,542 0.328,543 0.37,544 0.277,545 16690,546 54891,547 1.915,548 49.2,549 13,550 11,552 2,553 2,554 2,555 2,558 1.75,559 1.768,560 3.837,561 0.252,563 1,567 107.902,568 1.66,569 3.451,570 4.649,571 5.365,572 5.488,573 5.488,574 3.242,575 4.415,576 5.017,577 4.079,578 2153.98,579 8.77,580 35974,585 391.454,586 1.591,587 4.944,588 0.25,589 0.006,590 0.087,591 0.041,592 0.026,593 0.028,594 0.02,595 0.008,596 0.011,597 0.008,598 0.486,599 0.33,600 0.63,601 1.178,602 181.4,603 0.089,604 -0.061,605 0.246,606 -0.026,607 -0.109,608 0.04,609 0.269,610 -0.052,611 -0.018,612 -0.076,613 0.296,614 -0.088,615 -0.086,616 -0.07,617 -0.062,618 -0.041,619 -0.032,620 -0.043,621 -0.111,622 -0.056,623 -0.098,624 -0.063,625 -0.058,626 -0.072,627 -0.053,628 0.004,629 0.056,630 0.039,631 -0.057,632 0.006,633 0.027,634 -0.043,635 0.136,636 -0.009,637 -0.068,638 0.045,639 0.185,640 -0.013,641 0.002,642 -0.012,643 0.209,644 -0.014,645 -0.182,646 0.049,647 -0.116,648 0.008,649 -0.146,650 -0.017,651 4.635,652 5.413,653 0.364,654 41.776,655 1.009,656 1.128,657 2.106,658 4.436,659 0.653,660 3.555,661 3.85,662 3.932,663 4.007,664 4.127,665 4.159,666 4.248,667 3.912,668 3.951,669 3.951,670 9.054,671 0.609,672 496.71,673 3.555,674 5.081,675 5.866,676 6.713,677 7.519,678 8.368,679 9.186,680 10.037,681 10.862,682 11.716,683 3.1,685 1,693 1,699 8,700 1,704 3,706 12,724 65,726 17,727 1,728 34,730 66,731 23,733 11,734 2,735 4,739 2,740 2,751 8,753 12,754 11,755 1,756 5,760 2,761 5,765 1,772 32,773 8,774 2,775 10,776 2,779 2,784 1,785 6,795 1,802 2,818 1,830 1,832 2,834 2,836 1,840 33,843 1,844 1,845 1,846 9,847 1,850 1,862 9.2,864 1,865 5,869 18.667,870 11.317,871 7.292,872 3.947,874 1.863,875 1.27,876 0.925,877 10.656,878 8.77,879 3.829,880 4.394,881 4.691,882 5.066,883 5.487,884 5.627,885 6.037,886 5.049,887 5.136,888 5.235,889 0.9,890 44,891 12.718,893 5.768,894 8.162,895 23.274,897 19.211,899 2.662,900 87.833,904 353.133,905 123.575,906 33.191,908 156.454,910 11.853,911 111.722,912 509.587,913 33.191,914 7.19,915 22.382,916 85.116,917 197.692,918 24.382,920 329.591,922 353.133,923 144.912,924 156.454,925 11.853,927 329.591,928 179.996,931 56.882,932 71.245,933 28.639,935 353.133,936 189.645,937 123.575,939 11.853,940 353.133,941 29.579,942 82.143,943 16.405,944 173.24,945 353.133,946 189.645,947 123.575,949 0.579,950 0.3,951 0.136,952 0.072,953 17,954 9,955 0.227,956 15,958 1,959 4.467,960 262.029,962 12,963 158.465,967 2,968 27.143,969 12.955,970 10.141,972 189.645,973 12.625,974 4.108,978 1.246,980 59.088,981 666.353,982 45,986 -7.104,987 58.832,991 -0.804,994 65.574,995 73.321,996 0.276,997 0.573,998 0.772,999 0.891,1000 0.911,1001 0.911,1002 5.056,1003 1.541,1004 5.894,1005 4.271,1006 4.533,1007 5.081,1008 3.295,1009 6.698,1010 4.432,1011 6.291,1012 1.356,1013 7.47,1014 3.348,1015 4.369,1016 5.316,1017 2.243,1018 8.044,1019 4.095,1020 7.65,1021 1.093,1022 9.179,1023 3.196,1024 6.209,1025 7.413,1026 5.242,1027 10.966,1028 5.938,1029 9.059,1030 1,1031 10.975,1032 2.369,1033 6.858,1034 8.469,1035 4.112,1036 13.125,1037 6.367,1038 10.511,1039 1,1040 12.828,1041 2.275,1042 8.262,1043 10.179,1044 7.313,1045 15.727,1046 7.751,1047 11.992,1048 0.833,1049 14.718,1050 2.136,1051 9.243,1052 11.537,1053 5.889,1054 18.123,1055 8.52,1056 13.497,1057 0.419,1058 16.635,1059 1.805,1060 10.507,1061 13.135,1062 9.427,1063 20.648,1064 9.724,1065 3.392,1066 -0.037,1067 18.569,1068 0.922,1069 11.623,1070 14.604,1071 7.625,1072 23.114,1073 10.657,1074 3.286,1075 12.409,1076 20.516,1077 -0.087,1078 12.842,1079 16.166,1080 11.56,1081 25.62,1082 11.788,1083 2.562,1084 11.648,1085 22.471,1086 4.728,1087 14.012,1088 17.679,1089 9.342,1090 28.107,1091 12.801,1092 2.476,1093 7.047,1094 24.433,1095 4.62,1096 15.22,1097 19.228,1098 13.706,1099 30.608,1100 13.905,1101 2.135,1102 6.896,1103 26.399,1104 3.444,1105 16.412,1106 20.759,1107 11.051,1108 33.104,1109 14.959,1110 2.043,1111 5.67,1112 28.368,1113 3.077,1114 17.618,1115 22.304,1116 15.858,1117 35.604,1118 16.056,1119 1.658,1120 5.056,1121 30.339,1122 2.74,1123 18.82,1124 23.842,1125 12.755,1126 38.104,1127 17.132,1128 16736,1129 30665,1130 21.435,1131 42.455,1132 49.504,1133 52.745,1134 50.002,1135 49.787,1136 49.589,1137 64.64,1138 10.582,1139 138.098,1140 47.398,1141 5.827,1142 7.18,1143 7.097,1144 5.373,1145 5.392,1146 7.728,1147 5.9,1148 19.631,1149 5.069,1150 21.082,1151 1.456,1152 1.551,1153 1.471,1154 1.464,1155 1.459,1156 1.901,1157 0.311,1158 4.062,1159 1.394,1160 4.134,1161 4.106,1162 4.766,1163 4.145,1164 7.72,1165 4.043,1166 3.929,1167 3.967,1168 4.698,1169 3.916,1170 7.712,1171 3.821,1172 3.908,1173 3.88,1174 3.837,1175 3.825,1176 7.474,1177 3.759,1178 3.802,1179 3.828,1180 3.688,1181 3.694,1182 6.999,1183 3.68,1184 3.589,1185 3.634,1186 3.552,1187 3.449,1188 6.999,1189 3.426,1190 3.497,1191 3.54,1192 3.44,1193 3.326,1194 6.351,1195 3.316,1196 3.423,1197 3.443,1198 3.331,1199 3.307,1200 4.896,1201 3.254,1202 3.214,1203 3.257,1204 3.071,1205 3.03,1206 4.646,1207 3.021,1208 0.143,1209 0.152,1210 0.215,1211 0.127,1212 0.1,1213 4.861,1214 0.139,1215 5.18,1216 0.087,1217 7.295,1218 0.365,1219 4.303,1220 0.09,1221 3.392,1222 4.728,1223 2.95,1224 12.409,1225 3.069,1226 2.011,1227 2.031,1228 2.09,1229 2.061,1230 1.479,1231 2.114,1232 1.9,1233 1.857,1234 1.986,1235 2.025,1236 1.273,1237 2.048,1238 1.812,1239 1.776,1240 1.969,1241 1.95,1242 1.229,1243 1.969,1244 1.701,1245 1.732,1246 1.855,1247 1.844,1248 1.137,1249 1.894,1250 1.565,1251 1.521,1252 1.716,1253 1.718,1254 0.938,1255 1.766,1256 1.463,1257 1.41,1258 1.585,1259 1.672,1260 0.891,1261 1.686,1262 1.327,1263 1.313,1264 1.538,1265 1.534,1266 0.776,1267 1.568,1268 1.159,1269 1.122,1270 1.323,1271 1.38,1272 0.56,1273 1.406,1274 4.234,1276 5.533,1278 7.004,1280 8.551,1282 10.141,1284 1.067,1289 9.017,1290 6.026,1291 2.544,1294 0.276,1300 39.608,1301 107.902,1302 224.327,1303 302.17,1304 348.699,1305 356.699,1306 356.699,1307 143.585,1308 6.907,1309 130.5,1310 147.26,1311 12,1312 12.278,1313 4.17,1314 3.585,1315 81.184,1316 182,1317 157,1318 0.209,1319 255.944,1320 453.22,1321 616.262,1322 9610,1324 24.322,1325 0.737,1326 0.62,1327 24.822,1328 20.445,1329 15.576,1330 0.458,1331 0.422,1332 11.159,1333 13.502,1334 10.594,1335 8.831,1336 17.292,1337 14.357,1338 14.775,1339 0.321,1340 0.26,1341 17.485,1342 11.972,1343 10.092,1344 0.202,1345 0.161,1346 11.957,1347 8.066,1348 7.309,1349 0.135,1350 0.099,1351 8.691,1352 5.32,1353 5.38,1354 0.088,1355 0.061,1356 6.427,1357 3.717,1358 0.345,1359 114.694,1360 0.216,1361 31.772,1362 0.532,1363 160,1364 538.526,1365 245.351,1366 553.793,1367 710.15,1368 500,1369 176,1370 435.044,1371 271.047,1372 507.23,1373 715.56,1374 470,1375 8.398} {0 CHEMBL1385840,1 1.535,2 11.488,3 3.513,4 12.342,5 153.503,6 7.022,7 0.213,8 4.493,9 4.616,10 4.016,11 3.993,12 5.491,13 3.974,14 5.133,15 5.31,16 4.525,17 4.488,18 6.115,19 4.457,20 5.488,21 5.679,22 4.725,23 4.729,24 6.522,25 4.685,26 5.689,27 5.901,28 4.806,29 4.81,30 6.809,31 4.768,32 5.702,33 5.902,34 4.743,35 4.801,36 6.942,37 4.745,38 5.693,39 5.902,40 4.591,41 4.793,42 6.78,43 4.698,44 5.731,45 6.001,46 4.458,47 4.758,48 6.663,49 4.617,50 5.645,51 5.925,52 4.365,53 4.638,54 6.611,55 4.492,56 0.052,57 1.213,58 18.276,59 7.51,60 16.95,61 10.323,62 0.609,63 2.107,64 37.278,65 13.148,66 51.89,67 18.96,68 0.793,69 2.773,70 54.745,71 18.548,72 92.333,73 26.224,74 1.235,75 3.12,76 69.877,77 20.941,78 162.493,79 29.805,80 1.62,81 3.079,82 71.344,83 21.429,84 259.675,85 29.733,86 1.293,87 3.057,88 70.325,89 22.15,90 202.516,91 30.956,92 1.053,93 3.102,94 74.089,95 23.129,96 139.914,97 34.541,98 1.028,99 2.71,100 68.791,101 22.25,102 161.112,103 32.769,104 86,105 76,106 0.234,107 0.583,108 0.796,109 0.845,110 0.868,111 0.868,112 3.742,113 0.95,114 -3.56,115 -3.53,116 -3.37,118 38.8,119 4,120 3,121 3,123 1,124 2,126 3,130 1,131 1,133 1,134 1,140 3,141 3,149 1,150 1,154 3,168 14,171 3,172 8,175 4,177 5,180 13,185 4,186 14,189 3,191 7,194 11,197 2,198 19,201 2,202 1,203 6,206 10,209 5,210 13,213 3,215 8,218 11,221 1,222 12,225 2,227 8,229 15,233 3,234 12,239 3,242 11,246 1,247 11,250 2,251 1,252 2,255 10,258 1,259 12,264 1,267 13,270 2978,271 27.064,272 27.064,273 27.064,274 27.064,275 27.064,276 25.443,277 30.059,278 14.762,279 27.434,280 23.085,281 23.085,282 23.085,283 23.085,284 23.085,285 20.334,286 36.835,287 6.838,288 23.715,289 4.787,290 2.493,291 1.091,292 0.772,293 0.622,294 0.622,295 4.455,300 1,301 1065,302 4.796,305 226.856,306 329.645,309 531.077,310 269.876,311 158.233,312 183.22,313 1.647,314 63.586,317 0.75,318 0.5,319 0.83,320 0.9,321 1,322 0.83,323 1,324 0.83,325 89.5,326 471,327 4.923,328 4.49,329 8.223,330 4.836,331 3.883,332 4.634,333 2.23,334 16.293,335 3.693,336 4.718,337 3.952,338 7.68,339 4.344,340 3.367,341 4.008,342 1.989,343 13.821,344 3.314,345 4.405,346 3.745,347 7.023,348 4.309,349 3.339,350 3.545,351 1.972,352 12.051,353 3.213,354 4.173,355 3.566,356 6.63,357 3.89,358 2.912,359 3.462,360 1.465,361 10.226,362 2.851,363 3.912,364 3.481,365 6.431,366 3.802,367 2.807,368 3.026,369 0.935,370 9.883,371 2.787,372 3.765,373 3.049,374 6.362,375 3.556,376 2.597,377 2.95,378 0.916,379 9.227,380 2.515,381 3.598,382 3.002,383 5.955,384 3.482,385 2.503,386 2.821,387 0.584,388 8.263,389 2.408,390 3.545,391 2.692,392 5.636,393 3.255,394 2.278,395 2.629,396 0.274,397 7.296,398 2.226,399 3.308,400 2.45,401 5.401,402 2.923,403 1.951,404 2.529,405 0.172,406 5.886,407 1.891,408 3.062,409 2.255,410 5.106,411 2.856,412 1.85,413 2.073,414 0.137,415 5.58,416 1.851,417 2.925,418 2.21,419 4.787,420 2.621,421 1.6,422 1.99,424 4.409,425 1.624,426 2.793,427 2.069,428 4.692,429 2.444,430 1.476,431 1.767,433 4.235,434 1.427,435 2.671,436 1.643,437 4.634,438 2.43,439 1.449,440 1.728,442 3.921,443 1.413,444 2.556,445 1.553,446 4.347,447 2.24,448 1.255,449 1.526,451 3.244,452 1.232,453 2.316,454 1.436,455 3.976,456 2.142,457 1.149,458 1.285,460 2.87,461 1.132,462 19.167,463 0.467,464 1.541,465 0.038,466 42.25,467 1.03,468 14,469 0.341,470 28.25,471 0.689,472 56.987,473 1.39,474 46.233,475 0.578,476 40.135,477 0.979,478 7.422,479 0.181,480 12.053,481 0.294,482 0.2,483 0.052,484 0.428,487 0.775,488 1.463,489 0.823,490 1.183,491 0.641,492 1.031,493 0.627,494 1.131,495 0.763,496 0.96,497 0.514,498 0.886,499 0.985,500 1.16,501 0.935,502 1.091,503 0.899,504 1.014,505 1.392,506 1.011,507 1.01,508 0.942,509 1.285,510 0.909,511 1.552,512 0.995,513 1.203,514 1.009,515 1.604,516 1.042,517 1.547,518 1.135,519 1.31,520 1.121,521 1.621,522 1.179,523 0.981,524 0.941,525 1.055,526 1,527 1.054,528 1.028,529 0.877,530 0.897,531 0.886,532 0.939,533 0.945,534 0.925,535 10.5,536 0.512,537 7.333,538 5.826,539 5.446,540 2.643,541 1.582,542 1.083,543 0.701,544 0.506,545 25806,546 57450,547 2.102,548 48.8,549 12,550 14,551 1,553 3,554 1,555 7,556 1,558 1.81,559 1.892,560 3.472,561 0.74,567 122.824,568 1.535,569 3.829,570 5.231,571 5.55,572 5.7,573 5.7,574 2.814,575 5.162,576 5.336,577 3.691,578 3026.99,579 9.447,580 48928.3,585 505.754,586 1.745,587 5.248,588 0.223,589 0.009,590 0.096,591 0.065,592 0.058,593 0.031,594 0.022,595 0.017,596 0.012,597 0.009,598 0.545,599 0.33,600 0.75,601 0.823,602 226.187,603 -0.05,604 -0.173,605 0.066,606 -0.022,607 -0.068,608 0.031,609 0.232,610 0.062,611 0.178,612 0.098,613 0.078,614 0.124,615 0.076,616 -0.051,617 0.041,618 -0.062,619 -0.003,620 -0.024,621 -0.053,622 0.02,623 0.021,624 0.024,625 -0.012,626 0.038,627 -0.059,628 0.024,629 -0.157,630 -0.041,631 0.046,632 -0.104,633 -0.207,634 -0.136,635 -0.289,636 -0.131,637 -0.171,638 -0.217,639 -0.056,640 0.014,641 -0.064,642 -0.046,643 -0.048,644 -0.051,645 0.065,646 -0.013,647 0.111,648 0.027,649 0.059,650 0.068,651 3.259,652 7.329,653 0.683,654 36.96,655 1.002,656 1.132,657 2.33,658 5.427,659 0.641,660 3.871,661 4.344,662 4.762,663 5.165,664 5.489,665 5.7,666 5.927,667 6.105,668 6.205,669 6.317,670 7.224,671 0.608,672 561.75,673 3.871,674 5.509,675 6.447,676 7.418,677 8.377,678 9.35,679 10.318,680 11.293,681 12.264,682 13.24,683 6.3,686 1,690 3,691 1,698 2,699 4,701 1,704 2,706 10,724 80,726 14,727 1,728 47,730 86,731 31,733 8,734 3,735 3,736 2,739 7,740 18,745 4,748 7,749 1,751 7,753 13,754 18,755 3,756 4,761 3,763 1,765 4,772 39,773 9,774 3,775 10,779 5,784 0.286,785 5,797 1,798 1,801 3,802 4,805 4,806 2,807 1,808 1,816 1,817 2,822 1,823 1,828 1,830 1,831 1,832 2,836 5,840 41,845 1,846 5,847 1,848 1,850 6,851 3,852 2,862 6.3,863 1,865 3,866 1,869 21.667,870 15.633,871 8.486,872 5.244,874 2.567,875 1.26,876 0.95,877 6.142,878 12.434,879 4.043,880 4.647,881 5.241,882 5.831,883 6.317,884 6.673,885 7.11,886 7.508,887 7.736,888 8.057,889 1,890 89,891 15.678,893 7.525,894 7.764,895 29.798,897 27.156,899 2.264,900 92.833,904 423.76,905 130.852,906 44.169,908 129.118,911 130.852,912 552.878,913 44.169,914 43.697,915 36.074,916 89.636,917 100.549,918 32.04,919 13.915,920 411.989,922 423.76,923 175.022,924 129.118,927 329.591,928 169.604,929 53.683,931 91.285,932 74.26,933 9.476,935 423.76,936 173.287,937 130.852,940 423.76,941 40.203,942 100.023,943 34.796,944 129.118,945 423.76,946 173.287,947 130.852,949 0.617,950 0.393,951 0.229,952 0.131,953 44,954 21,955 0.047,956 4,957 6,958 1.393,959 4.56,960 491.475,961 0.429,962 27,963 215.66,968 27.298,969 9.225,970 3.658,971 2.275,972 156.502,973 8.275,975 3.372,978 2.397,980 77.48,981 727.899,982 56,987 41.923,989 2.041,991 0.041,994 80.167,995 90.597,996 0.243,997 0.606,998 0.827,999 0.878,1000 0.902,1001 0.902,1002 5.414,1003 2.278,1004 6.532,1005 8.263,1006 5.03,1007 5.335,1008 3.406,1009 7.551,1010 4.976,1011 6.656,1012 1.951,1013 8.232,1014 7.296,1015 5.017,1016 5.387,1017 2.838,1018 9.021,1019 4.929,1020 8.027,1021 1.85,1022 10.043,1023 5.886,1024 6.872,1025 7.499,1026 4.436,1027 12.213,1028 6.748,1029 9.432,1030 1.6,1031 11.923,1032 5.58,1033 7.66,1034 8.355,1035 4.538,1036 14.509,1037 7.492,1038 10.873,1039 1.476,1040 13.848,1041 4.409,1042 9.09,1043 10.041,1044 5.716,1045 17.34,1046 8.884,1047 12.339,1048 1.449,1049 15.806,1050 4.235,1051 10.193,1052 11.249,1053 6.125,1054 19.933,1055 9.938,1056 13.825,1057 1.255,1058 17.788,1059 3.921,1060 11.512,1061 12.803,1062 7.108,1063 22.692,1064 11.213,1065 3.883,1066 1.149,1067 19.79,1068 3.244,1069 12.739,1070 14.172,1071 7.677,1072 25.392,1073 12.389,1074 3.367,1075 16.293,1076 21.807,1077 2.87,1078 14.04,1079 15.688,1080 8.56,1081 28.146,1082 13.641,1083 3.339,1084 13.821,1085 23.837,1086 4.634,1087 15.319,1088 17.133,1089 9.22,1090 30.888,1091 14.868,1092 2.912,1093 12.051,1094 25.877,1095 4.008,1096 16.626,1097 18.642,1098 10.051,1099 33.65,1100 16.123,1101 2.807,1102 10.226,1103 27.926,1104 3.545,1105 17.932,1106 20.124,1107 10.762,1108 36.412,1109 17.374,1110 2.597,1111 9.883,1112 29.982,1113 3.462,1114 19.249,1115 21.636,1116 11.568,1117 39.182,1118 18.638,1119 2.503,1120 9.227,1121 32.044,1122 3.026,1123 20.57,1124 23.138,1125 12.309,1126 41.954,1127 19.904,1128 23465,1129 35158,1130 30.46,1131 51.245,1132 76.358,1133 77.954,1134 80.165,1135 75.048,1136 74.991,1137 87.07,1138 21.35,1139 250.302,1140 73.14,1141 5.923,1142 6.49,1143 7.749,1144 5.911,1145 5.883,1146 7.634,1147 3.883,1148 25.31,1149 5.693,1150 25.148,1151 1.625,1152 1.659,1153 1.706,1154 1.597,1155 1.596,1156 1.853,1157 0.454,1158 5.326,1159 1.556,1160 4.19,1161 4.221,1162 4.15,1163 4.117,1164 7.435,1165 4.121,1166 4.042,1167 4.077,1168 3.994,1169 3.856,1170 7.425,1171 3.882,1172 3.839,1173 3.888,1174 3.766,1175 3.696,1176 7.421,1177 3.706,1178 3.739,1179 3.791,1180 3.647,1181 3.586,1182 6.452,1183 3.59,1184 3.653,1185 3.717,1186 3.501,1187 3.524,1188 4.975,1189 3.509,1190 3.457,1191 3.509,1192 3.352,1193 3.351,1194 4.573,1195 3.344,1196 3.407,1197 3.47,1198 3.283,1199 3.195,1200 4.427,1201 3.205,1202 3.356,1203 3.404,1204 3.244,1205 3.145,1206 4.275,1207 3.165,1208 0.105,1209 0.096,1210 0.175,1211 0.103,1212 0.083,1213 4.923,1214 0.099,1215 4.49,1216 0.047,1217 8.223,1218 0.347,1219 4.836,1220 0.079,1221 3.883,1222 4.634,1223 2.23,1224 16.293,1225 3.693,1226 2.043,1227 2.022,1228 2.129,1229 2.123,1230 1.433,1231 2.126,1232 1.814,1233 1.771,1234 1.989,1235 2.01,1236 1.305,1237 1.996,1238 1.777,1239 1.736,1240 1.948,1241 1.948,1242 1.222,1243 1.942,1244 1.711,1245 1.664,1246 1.899,1247 1.892,1248 1.197,1249 1.897,1250 1.595,1251 1.535,1252 1.855,1253 1.768,1254 1.111,1255 1.799,1256 1.55,1257 1.501,1258 1.726,1259 1.727,1260 1.007,1261 1.733,1262 1.49,1263 1.421,1264 1.713,1265 1.717,1266 0.948,1267 1.731,1268 1.293,1269 1.217,1270 1.58,1271 1.573,1272 0.663,1273 1.573,1274 4.554,1276 5.989,1277 3.434,1278 7.626,1279 5.9,1280 9.365,1281 8.132,1282 11.162,1284 9.357,1289 12.065,1290 3.09,1291 2.982,1292 6.402,1294 -2.68,1295 5.101,1296 -3.809,1300 48.637,1301 122.824,1302 306.3,1303 418.47,1304 443.98,1305 455.98,1306 455.98,1307 109.726,1308 9.867,1309 118.21,1310 118.21,1311 39,1312 13.714,1313 3.907,1314 3.322,1315 54.116,1316 180,1317 156,1318 0.147,1319 286.913,1320 514.37,1321 691.827,1322 322634,1324 29.007,1325 0.707,1326 0.593,1327 29.007,1328 24.308,1329 19.475,1330 0.414,1331 0.317,1332 14.673,1333 18.737,1334 14.223,1335 11.699,1336 19.475,1337 14.877,1338 19.49,1339 0.256,1340 0.173,1341 19.49,1342 13.124,1343 17.716,1344 0.153,1345 0.087,1346 17.716,1347 10.052,1348 16.354,1349 0.094,1350 0.046,1351 16.354,1352 7.972,1353 14.042,1354 0.058,1355 0.025,1356 14.042,1357 5.962,1358 0.226,1359 122.297,1360 0.181,1361 35.458,1362 0.42,1363 246,1364 630.693,1365 273.851,1366 599.408,1367 833.25,1368 560,1369 315,1370 634.592,1371 347.07,1372 634.112,1373 974.2,1374 600,1375 5.7} {0 CHEMBL138743,1 1.726,2 14.188,3 7.035,4 49.493,5 133.281,6 7.821,7 0.353,8 4.186,9 4.308,10 3.916,11 3.752,12 5.212,13 3.688,14 4.754,15 4.934,16 4.162,17 4.14,18 5.913,19 4.037,20 5.044,21 5.289,22 4.116,23 4.269,24 5.95,25 4.104,26 5.113,27 5.374,28 3.982,29 4.225,30 6.032,31 4.055,32 5.085,33 5.356,34 3.996,35 4.197,36 5.921,37 4.024,38 5.096,39 5.373,40 4.044,41 4.197,42 6.002,43 4.036,44 5.075,45 5.354,46 3.932,47 4.185,48 5.886,49 4.017,50 5.035,51 5.306,52 3.967,53 4.157,54 5.903,55 3.998,56 0.153,57 0.944,58 15.377,59 6.078,60 21.858,61 7.748,62 0.402,63 1.451,64 26.667,65 10.388,66 64.421,67 13.706,68 0.363,69 1.679,70 44.072,71 14.712,72 60.884,73 19.334,74 0.56,75 1.696,76 47.426,77 14.598,78 87.469,79 19.466,80 0.516,81 1.656,82 45.975,83 14.138,84 77.779,85 19.232,86 0.649,87 1.68,88 45.369,89 13.726,90 92.682,91 19.442,92 0.504,93 1.7,94 42.146,95 12.894,96 70.847,97 18.502,98 0.507,99 1.654,100 44.079,101 12.563,102 66.558,103 17.417,104 10,105 44,106 0.279,107 0.551,108 0.721,109 0.848,110 0.873,111 0.873,112 3.501,113 1.132,114 -5.03,115 -4.93,116 -4.62,118 36.1,120 8,121 1,124 1,127 1,140 6,141 1,142 2,143 2,162 3,168 13,171 4,172 4,175 2,177 1,180 15,186 10,191 3,194 15,198 11,203 3,206 10,210 9,215 1,218 10,222 13,227 3,229 10,234 12,239 2,242 9,247 12,252 1,255 8,259 9,262 2,264 1,267 8,270 2246,271 21.628,272 21.628,273 21.628,274 21.628,275 21.628,276 19.477,277 17.138,278 13.347,279 22.077,280 16.811,281 16.811,282 16.811,283 16.811,284 16.811,285 13.586,286 14.461,287 6.389,288 17.6,289 4.205,290 2.518,291 1.468,292 0.68,293 0.525,294 0.525,295 4.184,297 1,300 1,301 959,302 4.583,305 116.743,306 273.715,313 1.938,314 34.213,317 1,318 0.67,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.76,325 69.333,326 454,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 0.4,334 12.404,335 3.062,336 3.898,337 2.898,338 5.428,339 3.588,340 2.609,341 3.444,343 7.21,344 2.565,345 3.835,346 2.773,347 5.341,348 3.504,349 2.522,350 3.393,352 6.968,353 2.477,354 3.794,355 2.721,356 5.243,357 3.369,358 2.402,359 2.989,361 6.7,362 2.326,363 3.469,364 2.442,365 5.149,366 3.313,367 2.389,368 2.481,370 6.32,371 2.158,372 3.085,373 1.965,374 4.733,375 2.691,376 1.735,377 2.292,379 4.771,380 1.647,381 2.937,382 1.644,383 3.747,384 2.538,385 1.573,386 2.102,388 3.36,389 1.506,390 2.677,391 1.593,392 3.677,393 2.487,394 1.517,395 1.664,397 3.22,398 1.42,399 2.578,400 1.321,401 3.525,402 2.304,403 1.309,404 1.527,406 2.812,407 1.301,408 2.5,409 1.13,410 3.414,411 2.064,412 1.077,413 1.5,415 2.337,416 1.061,417 2.5,418 1,419 3.353,420 2,421 1,422 1.5,424 2.275,425 1,426 2.414,427 1,428 3.247,429 1.956,430 1,431 1.17,433 2.136,434 0.953,435 2.194,436 0.951,437 3.205,438 1.772,439 0.802,440 1,442 1.758,443 0.775,444 1.867,445 0.744,446 3,447 1.591,448 0.618,449 0.834,451 1.372,452 0.6,453 1.436,454 0.605,455 2.886,456 1.37,457 0.392,458 0.403,460 0.894,461 0.382,462 15.614,463 0.488,464 0.645,465 0.02,466 37,467 1.156,468 18,469 0.563,470 19,471 0.594,472 31.634,473 0.989,474 35.986,475 0.59,476 25.998,477 0.812,478 6.672,479 0.208,480 8.855,481 0.277,482 0.088,483 0.053,484 0.16,487 0.422,488 1.24,489 0.742,490 1.218,491 0.586,492 1.036,493 0.548,494 1.14,495 0.83,496 1.088,497 0.502,498 1.121,499 0.798,500 1.046,501 1.006,502 1.124,503 0.743,504 1.062,505 1.107,506 0.945,507 1.006,508 1.027,509 1.178,510 1.034,511 0.919,512 0.942,513 0.729,514 0.902,515 1.063,516 0.983,517 0.663,518 0.935,519 0.738,520 0.914,521 0.679,522 0.952,523 0.865,524 0.942,525 0.807,526 0.86,527 0.768,528 0.973,529 0.978,530 0.973,531 1.018,532 0.984,533 0.82,534 0.98,535 6,536 0.13,537 3.111,538 1.285,539 0.858,540 0.726,541 0.314,542 0.222,543 0.284,544 0.197,545 16235,546 50114,547 2.04,548 47.5,549 13,550 8,551 1,552 2,553 1,555 2,556 2,558 1.745,559 1.949,560 3.757,561 -0.279,567 105.276,568 1.726,569 3.413,570 4.462,571 5.25,572 5.406,573 5.406,574 3.156,575 4.438,576 4.973,577 3.963,578 1965.61,579 8.698,580 32035.2,585 361.775,586 1.237,587 4.944,588 0.176,589 0.004,590 0.071,591 0.032,592 0.025,593 0.021,594 0.009,595 0.007,596 0.008,597 0.006,598 0.358,599 0.17,600 0.75,601 0.476,602 173.435,603 0.222,604 0.065,605 0.151,606 -0.047,607 -0.028,608 0.008,609 0.253,610 -0.002,611 -0.002,612 -0.067,613 0.289,614 -0.118,615 -0.022,616 -0.076,617 -0.02,618 -0.056,619 0.049,620 -0.026,621 -0.128,622 -0.021,623 -0.081,624 -0.035,625 -0.067,626 -0.04,627 -0.058,628 -0.032,629 0.064,630 0.036,631 -0.083,632 0.009,633 0.133,634 -0.029,635 0.098,636 0.004,637 0.103,638 0.041,639 -0.094,640 0.003,641 -0.011,642 0.033,643 -0.087,644 -0.001,645 -0.129,646 0.011,647 -0.075,648 -0.011,649 -0.089,650 -0.005,651 4.421,652 5.368,653 0.531,654 37.801,655 1.004,656 1.135,657 3.803,658 14.461,659 0.665,660 3.555,661 3.807,662 3.951,663 4.06,664 4.127,665 4.094,666 4.025,667 4.025,668 4.06,669 4.094,670 8.553,671 0.621,672 477.09,673 3.555,674 5.056,675 5.849,676 6.676,677 7.483,678 8.313,679 9.125,680 9.957,681 10.772,682 11.608,683 9.8,685 1,693 1,696 4,699 8,700 1,704 3,706 12,723 1,724 61,726 16,727 1,728 34,730 63,731 22,733 11,734 2,735 4,739 3,740 3,741 1,751 8,753 11,754 11,755 1,756 4,760 1,761 2,764 4,772 29,773 8,774 1,775 10,776 2,779 6,784 1,785 2,795 1,801 1,802 2,832 3,834 1,837 1,840 32,844 1,846 9,847 1,850 2,861 1,862 3.3,865 2,869 16.417,870 10.476,871 7.208,872 3.922,874 1.718,875 1.247,876 0.943,877 9.735,878 8.661,879 3.807,880 4.304,881 4.691,882 5.069,883 5.402,884 5.355,885 5.279,886 5.025,887 5.101,888 5.239,889 1,890 40,891 12.039,893 5.175,894 7.803,895 22.874,897 18.721,899 2.303,900 73.694,904 329.591,905 111.379,906 99.598,907 39.149,908 44.313,910 5.807,911 105.571,912 413.052,913 99.598,915 22.382,916 79.07,917 84.641,918 26.332,919 78.178,920 294.278,921 39.149,922 329.591,923 205.169,924 44.313,925 44.956,927 282.506,928 91.397,931 56.882,932 65.094,933 128.149,935 329.591,936 143.91,937 150.527,939 5.807,940 329.591,941 30.619,942 74.952,943 16.405,944 166.654,945 329.591,946 143.91,947 150.527,949 0.565,950 0.31,951 0.151,952 0.074,953 17,954 7,955 0.222,956 14,958 1,959 4.573,960 255.946,962 17,963 150,967 1,968 24.448,969 12.743,970 8.7,972 143.91,973 13.966,974 4.179,978 1.996,980 16.405,981 624.029,982 44,986 -3.504,987 24.736,990 15.185,994 61.269,995 69.255,996 0.291,997 0.575,998 0.752,999 0.885,1000 0.912,1001 0.912,1002 5.011,1003 1.517,1004 5.808,1005 3.36,1006 4.489,1007 4.99,1008 0.278,1009 6.541,1010 4.397,1011 6.183,1012 1.309,1013 7.324,1014 3.22,1015 4.007,1016 4.832,1018 7.636,1019 3.763,1020 7.479,1021 1.077,1022 8.965,1023 2.812,1024 6.052,1025 7.16,1026 0.05,1027 10.604,1028 5.842,1029 8.824,1030 1,1031 10.693,1032 2.337,1033 6.479,1034 7.957,1036 12.668,1037 6.091,1038 10.217,1039 1,1040 12.486,1041 2.275,1042 7.965,1043 9.763,1044 0.008,1045 15.274,1046 7.59,1047 11.645,1048 0.802,1049 14.327,1050 2.136,1051 8.813,1052 10.979,1054 17.658,1055 8.261,1056 13.103,1057 0.618,1058 16.205,1059 1.758,1060 10.098,1061 12.611,1062 0.001,1063 20.194,1064 9.519,1065 3.374,1066 0.392,1067 18.11,1068 1.372,1069 11.144,1070 14.013,1072 22.673,1073 10.403,1074 2.609,1075 12.404,1076 20.036,1077 0.894,1078 12.364,1079 15.585,1081 25.196,1082 11.56,1083 2.522,1084 7.21,1085 21.978,1086 4.697,1087 13.501,1088 17.067,1090 27.702,1091 12.553,1092 2.402,1093 6.968,1094 23.932,1095 3.444,1096 14.705,1097 18.62,1099 30.221,1100 13.671,1101 2.389,1102 6.7,1103 25.895,1104 3.393,1105 15.883,1106 20.138,1108 32.735,1109 14.721,1110 1.735,1111 6.32,1112 27.864,1113 2.989,1114 17.088,1115 21.685,1117 35.254,1118 15.827,1119 1.573,1120 4.771,1121 29.838,1122 2.481,1123 18.285,1124 23.219,1126 37.771,1127 16.906,1128 15643,1129 27785,1130 22.822,1131 40.586,1132 49.231,1133 49.83,1134 49.071,1135 48.911,1136 48.633,1137 61.991,1138 0.8,1139 129.07,1140 46.465,1141 5.813,1142 6.683,1143 7.095,1144 5.337,1145 5.374,1146 7.697,1147 0.8,1148 19.553,1149 5.062,1150 13.368,1151 1.448,1152 1.466,1153 1.443,1154 1.439,1155 1.43,1156 1.823,1157 0.024,1158 3.796,1159 1.367,1160 4.076,1161 4.059,1162 4.735,1163 4.064,1164 7.717,1165 3.975,1166 3.924,1167 3.968,1168 3.926,1169 3.827,1170 6.999,1171 3.821,1172 3.826,1173 3.885,1174 3.84,1175 3.704,1176 5.238,1177 3.697,1178 3.705,1179 3.775,1180 3.737,1181 3.589,1182 4.93,1183 3.539,1184 3.636,1185 3.675,1186 3.585,1187 3.438,1188 4.893,1189 3.439,1190 3.485,1191 3.519,1192 3.359,1193 3.351,1194 4.28,1195 3.325,1196 3.301,1197 3.378,1198 3.168,1199 3.105,1200 4.229,1201 3.104,1202 3.056,1203 3.145,1204 3.133,1205 2.809,1206 4.075,1207 2.814,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.012,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 0.4,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.092,1229 2.036,1230 1.486,1231 2.072,1232 1.899,1233 1.856,1234 1.985,1235 2.011,1236 1.258,1237 2.04,1238 1.81,1239 1.761,1240 1.952,1241 1.944,1242 1.185,1243 1.961,1244 1.628,1245 1.581,1246 1.862,1247 1.807,1248 1.133,1249 1.833,1250 1.488,1251 1.434,1252 1.736,1253 1.686,1254 0.95,1255 1.706,1256 1.413,1257 1.401,1258 1.556,1259 1.584,1260 0.808,1261 1.625,1262 1.199,1263 1.139,1264 1.339,1265 1.398,1266 0.61,1267 1.433,1268 0.949,1269 0.868,1270 1.181,1271 1.374,1272 0.459,1273 1.241,1274 4.234,1276 5.501,1277 2.398,1278 6.942,1279 4.443,1280 8.461,1281 6.26,1282 10.021,1285 5.835,1290 8.242,1291 2.677,1294 0.382,1300 37.894,1301 105.276,1302 208.175,1303 272.207,1304 320.265,1305 329.775,1306 329.775,1307 80.05,1308 6.943,1309 108.5,1310 116.88,1311 17,1312 12.181,1313 4.087,1314 3.459,1315 61.188,1316 160,1317 162,1318 0.171,1319 244.425,1320 426.46,1321 588.156,1322 9911,1323 1.6,1324 22.65,1325 0.708,1326 0.611,1327 23.4,1328 19.549,1329 15.527,1330 0.457,1331 0.377,1332 11.008,1333 13.904,1334 10.661,1335 8.862,1336 16.637,1337 12.83,1338 13.574,1339 0.308,1340 0.23,1341 15.305,1342 10.138,1343 10.462,1344 0.205,1345 0.142,1346 11.858,1347 7.228,1348 7.811,1349 0.137,1350 0.086,1351 8.844,1352 4.924,1353 5.518,1354 0.09,1355 0.058,1356 6.478,1357 3.528,1358 0.279,1359 108.382,1360 0.209,1361 30.902,1362 0.44,1363 156,1364 477.093,1365 221.866,1366 513.559,1367 675.19,1368 472,1369 173,1370 439.563,1371 239.977,1372 486.898,1373 689.77,1374 455,1375 8.301} {0 CHEMBL139372,1 1.766,2 15.03,3 5.23,4 27.355,5 119.319,6 7.849,7 0.353,8 4.196,9 4.303,10 3.898,11 3.728,12 5.301,13 3.687,14 4.786,15 4.95,16 4.22,17 4.104,18 6.402,19 4.033,20 5.067,21 5.294,22 4.167,23 4.252,24 6.17,25 4.131,26 5.174,27 5.422,28 4.083,29 4.216,30 6.317,31 4.094,32 5.125,33 5.386,34 3.962,35 4.168,36 6.148,37 4.027,38 5.072,39 5.325,40 4.063,41 4.144,42 6,43 4.003,44 5.104,45 5.345,46 4.134,47 4.114,48 6.631,49 4.003,50 5.01,51 5.26,52 3.932,53 4.081,54 6.056,55 3.95,56 0.188,57 1.073,58 15.087,59 6.668,60 47.408,61 7.692,62 1.117,63 2,64 27.61,65 11.177,66 212.299,67 13.514,68 0.711,69 1.915,70 41.715,71 14.898,72 118.995,73 18.757,74 1.122,75 2.014,76 48.626,77 15.189,78 192.249,79 19.076,80 1.046,81 1.779,82 45.221,83 14.388,84 194.523,85 18.821,86 0.896,87 1.694,88 46.077,89 14.24,90 179.775,91 18.526,92 1.771,93 1.716,94 43.522,95 13.03,96 332.783,97 17.634,98 0.903,99 1.598,100 41.689,101 12.848,102 161.861,103 16.57,104 56,105 46,106 0.286,107 0.577,108 0.74,109 0.862,110 0.879,111 0.879,112 3.531,113 1.089,114 -4.49,115 -4.42,116 -4.16,118 37.1,120 8,121 1,124 1,131 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 7,191 4,194 13,195 1,198 8,203 4,206 10,207 2,210 7,215 4,218 10,219 2,222 5,227 4,229 10,230 2,234 6,239 4,242 10,243 1,247 7,252 2,253 1,255 8,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 2198,271 21.239,272 21.239,273 21.239,274 21.239,275 21.239,276 19.332,277 15.691,278 12.825,279 21.73,280 16.786,281 16.786,282 16.786,283 16.786,284 16.786,285 13.878,286 8.831,287 6.106,288 17.667,289 4.188,290 2.395,291 1.388,292 0.637,293 0.528,294 0.528,295 4.195,300 1,301 1011,302 5.431,306 287.177,313 2.154,314 64.96,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 75.5,326 496,327 4.846,328 4.684,329 7.295,330 4.304,331 3.392,332 4.698,333 3.825,334 12.409,335 3.074,336 4.418,337 4.459,338 7.108,339 4.144,340 3.286,341 3.75,342 2.341,343 11.648,344 2.831,345 3.898,346 3.597,347 5.37,348 3.558,349 2.562,350 3.444,352 7.047,353 2.552,354 3.612,355 2.725,356 5.313,357 3.471,358 2.476,359 2.779,361 6.896,362 2.46,363 3.469,364 2.465,365 4.978,366 3.141,367 2.135,368 2.74,370 5.67,371 2.121,372 3.39,373 2.234,374 4.611,375 2.997,376 2.043,377 2.427,379 5.056,380 1.917,381 2.936,382 1.867,383 4.545,384 2.635,385 1.658,386 2.101,388 4.271,389 1.617,390 2.788,391 1.631,392 3.746,393 2.508,394 1.541,395 1.862,397 3.348,398 1.487,399 2.643,400 1.518,401 3.665,402 2.305,403 1.356,404 1.638,406 3.196,407 1.256,408 2.5,409 1.189,410 3.414,411 2.083,412 1.093,413 1.5,415 2.369,416 1.081,417 2.5,418 1.085,419 3.362,420 2,421 1,422 1.5,424 2.275,425 1,426 2.215,427 1,428 3.248,429 1.956,430 1,431 1.192,433 2.136,434 0.953,435 1.921,436 1,437 3.247,438 1.811,439 0.833,440 0.875,442 1.805,443 0.811,444 1.544,445 0.787,446 2.919,447 1.413,448 0.419,449 0.448,451 0.922,452 0.413,453 1.083,454 0.51,455 2.767,456 0.945,457 -0.037,458 -0.04,460 -0.087,461 -0.037,462 15.324,463 0.464,464 1.01,465 0.031,466 36,467 1.091,468 16.5,469 0.5,470 19.5,471 0.591,472 33.185,473 1.006,474 39.276,475 0.633,476 30.347,477 0.92,478 6.652,479 0.202,480 8.924,481 0.27,482 0.143,483 0.087,484 0.163,485 3,487 0.552,488 1.105,489 0.807,490 1.298,491 0.63,492 1.077,493 0.371,494 0.869,495 0.839,496 1.124,497 0.359,498 1.153,499 0.615,500 0.922,501 0.967,502 1.152,503 0.583,504 1.09,505 0.935,506 0.922,507 1.062,508 1.023,509 0.9,510 1.036,511 0.807,512 0.771,513 0.931,514 0.911,515 0.81,516 0.99,517 0.582,518 0.748,519 0.844,520 1.054,521 0.666,522 1.016,523 0.551,524 0.666,525 0.794,526 0.839,527 0.581,528 0.961,529 0.793,530 0.773,531 1.049,532 1.004,533 0.773,534 1.002,535 8.5,536 0.202,537 4,538 1.813,539 1.013,540 0.993,541 0.692,542 0.328,543 0.37,544 0.277,545 16690,546 61719,547 1.915,548 46.8,549 13,550 8,552 2,553 2,554 2,555 2,558 1.75,559 1.768,560 3.837,561 0.252,567 109.482,568 1.766,569 3.559,570 4.566,571 5.317,572 5.426,573 5.426,574 3.242,575 4.415,576 5.017,577 4.079,578 2153.98,579 8.77,580 35974,585 369.16,586 1.591,587 4.944,588 0.25,589 0.006,590 0.087,591 0.041,592 0.026,593 0.028,594 0.02,595 0.008,596 0.011,597 0.008,598 0.486,599 0.17,600 0.75,601 1.178,602 181.4,603 0.009,604 -0.045,605 0.143,606 -0.023,607 -0.081,608 0.028,609 0.41,610 0.192,611 0.053,612 -0.045,613 0.412,614 -0.121,615 0.001,616 -0.133,617 0.009,618 -0.091,619 0.042,620 -0.037,621 -0.101,622 -0.067,623 -0.074,624 -0.045,625 -0.054,626 -0.035,627 -0.065,628 0.003,629 -0.011,630 0.02,631 -0.058,632 0.017,633 0.029,634 -0.102,635 0.125,636 -0.066,637 -0.043,638 0.018,639 0.318,640 0.117,641 0.114,642 0.051,643 0.298,644 0.01,645 -0.074,646 -0.025,647 -0.048,648 -0.014,649 -0.068,650 0.007,651 5.773,652 5.281,653 0.364,654 41.776,655 1.022,656 1.145,657 3.264,658 10.651,659 0.64,660 3.555,661 3.85,662 3.932,663 4.007,664 4.127,665 4.159,666 4.248,667 3.912,668 3.951,669 3.951,670 9.054,671 0.615,672 486.61,673 3.555,674 5.081,675 5.866,676 6.713,677 7.519,678 8.368,679 9.186,680 10.037,681 10.862,682 11.716,683 3.2,685 1,693 1,699 8,700 1,704 3,706 12,724 62,726 15,727 1,728 34,730 63,731 23,733 11,734 2,735 4,739 2,740 2,745 1,750 1,751 8,753 12,754 11,755 1,756 3,760 1,761 3,765 1,770 3,772 29,773 9,774 2,775 10,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,838 3,840 33,844 1,845 1,846 9,847 1,850 1,852 1,861 3,862 6.5,864 1,865 3,869 18.667,870 10.495,871 7.292,872 3.853,874 1.711,875 1.248,876 0.921,877 10.501,878 8.618,879 3.784,880 4.304,881 4.635,882 5.007,883 5.429,884 5.498,885 5.771,886 4.958,887 5.053,888 5.16,889 0.9,890 44,891 13.045,893 6.226,894 8.414,895 22.721,897 18.515,899 2.914,900 96.167,904 317.82,905 119.733,906 33.191,908 112.141,909 44.88,910 5.807,911 113.926,912 429.961,913 78.071,915 22.382,916 79.07,917 153.379,918 70.897,920 294.278,921 7.76,922 317.82,923 147.116,924 157.022,925 5.807,927 294.278,928 180.564,931 64.641,932 65.689,933 22.593,935 362.7,936 145.332,937 119.733,939 5.807,940 325.579,941 31.214,942 74.952,943 16.405,944 173.807,945 317.82,946 190.212,947 119.733,949 0.579,950 0.3,951 0.136,952 0.072,953 17,954 9,955 0.222,956 14,958 1,959 4.467,960 262.029,962 12,963 155.71,967 1,968 26.988,969 12.84,970 10.041,972 190.212,973 10.774,974 4.085,978 0.009,980 59.088,981 627.765,982 43,986 -3.89,987 35.511,991 -0.837,994 63.381,995 71.001,996 0.297,997 0.598,998 0.767,999 0.893,1000 0.911,1001 0.911,1002 5.017,1003 1.541,1004 5.894,1005 4.271,1006 4.533,1007 4.99,1008 3.381,1009 6.698,1010 4.429,1011 6.229,1012 1.356,1013 7.47,1014 3.348,1015 4.369,1016 5.047,1017 4.06,1018 8.044,1019 4.068,1020 7.562,1021 1.093,1022 9.179,1023 3.196,1024 6.209,1025 7.194,1026 5.571,1027 10.966,1028 5.943,1029 8.939,1030 1,1031 10.975,1032 2.369,1033 6.858,1034 8.087,1035 6.762,1036 13.125,1037 6.359,1038 10.358,1039 1,1040 12.828,1041 2.275,1042 8.262,1043 9.824,1044 8.113,1045 15.727,1046 7.763,1047 11.807,1048 0.833,1049 14.718,1050 2.136,1051 9.243,1052 11.073,1053 9.418,1054 18.123,1055 8.529,1056 13.28,1057 0.419,1058 16.635,1059 1.805,1060 10.507,1061 12.677,1062 10.755,1063 20.648,1064 9.743,1065 3.392,1066 -0.037,1067 18.569,1068 0.922,1069 11.623,1070 14.084,1071 12.086,1072 23.114,1073 10.677,1074 3.286,1075 12.409,1076 20.516,1077 -0.087,1078 12.842,1079 15.642,1080 13.424,1081 25.62,1082 11.813,1083 2.562,1084 11.648,1085 22.471,1086 4.698,1087 14.012,1088 17.121,1089 14.762,1090 28.107,1091 12.83,1092 2.476,1093 7.047,1094 24.433,1095 3.75,1096 15.22,1097 18.665,1098 16.102,1099 30.608,1100 13.937,1101 2.135,1102 6.896,1103 26.399,1104 3.444,1105 16.412,1106 20.178,1107 17.443,1108 33.104,1109 14.994,1110 2.043,1111 5.67,1112 28.368,1113 2.779,1114 17.618,1115 21.719,1116 18.784,1117 35.604,1118 16.093,1119 1.658,1120 5.056,1121 30.339,1122 2.74,1123 18.82,1124 23.248,1125 20.125,1126 38.104,1127 17.173,1128 16736,1129 32669,1130 21.435,1131 39.711,1132 49.948,1133 50.115,1134 50.002,1135 49.89,1136 49.589,1137 61.906,1138 12.332,1139 138.098,1140 47.147,1141 5.813,1142 6.684,1143 7.097,1144 5.354,1145 5.392,1146 7.698,1147 5.409,1148 19.631,1149 5.074,1150 21.082,1151 1.469,1152 1.474,1153 1.471,1154 1.467,1155 1.459,1156 1.821,1157 0.363,1158 4.062,1159 1.387,1160 4.085,1161 4.071,1162 4.735,1163 4.067,1164 8.513,1165 3.984,1166 3.92,1167 3.963,1168 3.84,1169 3.825,1170 7.999,1171 3.819,1172 3.81,1173 3.859,1174 3.799,1175 3.699,1176 7.999,1177 3.689,1178 3.727,1179 3.744,1180 3.688,1181 3.611,1182 7.717,1183 3.564,1184 3.552,1185 3.578,1186 3.445,1187 3.397,1188 7.474,1189 3.375,1190 3.48,1191 3.533,1192 3.337,1193 3.311,1194 6.999,1195 3.307,1196 3.254,1197 3.314,1198 3.239,1199 3.043,1200 6.351,1201 3.045,1202 3.171,1203 3.205,1204 3.069,1205 2.859,1206 4.896,1207 2.904,1208 0.143,1209 0.138,1210 0.215,1211 0.127,1212 0.1,1213 4.846,1214 0.138,1215 4.684,1216 0.113,1217 7.295,1218 0.365,1219 4.304,1220 0.09,1221 3.392,1222 4.698,1223 3.825,1224 12.409,1225 3.074,1226 1.968,1227 1.975,1228 2.09,1229 2.048,1230 1.479,1231 2.081,1232 1.899,1233 1.856,1234 1.991,1235 2.022,1236 1.259,1237 2.043,1238 1.809,1239 1.761,1240 1.977,1241 1.948,1242 1.18,1243 1.962,1244 1.632,1245 1.597,1246 1.855,1247 1.822,1248 1.122,1249 1.839,1250 1.465,1251 1.447,1252 1.716,1253 1.685,1254 0.897,1255 1.689,1256 1.441,1257 1.405,1258 1.542,1259 1.624,1260 0.804,1261 1.651,1262 1.194,1263 1.142,1264 1.326,1265 1.44,1266 0.604,1267 1.439,1268 0.981,1269 0.921,1270 1.181,1271 1.311,1272 0.487,1273 1.264,1274 4.234,1276 5.533,1278 7.004,1280 8.551,1282 10.141,1286 37.894,1289 8.988,1290 5.518,1291 2.412,1294 0.226,1296 -4.523,1300 38.141,1301 109.482,1302 220.675,1303 283.121,1304 329.65,1305 336.405,1306 336.405,1307 148.111,1308 6.907,1309 96.36,1310 104.74,1311 12,1312 12.278,1313 4,1314 3.322,1315 81.184,1316 182,1317 157,1318 0.209,1319 240.415,1320 435.34,1321 578.372,1322 9610,1323 4.8,1324 24.322,1325 0.737,1326 0.577,1327 22.072,1328 19.038,1329 15.576,1330 0.458,1331 0.363,1332 10.815,1333 14.092,1334 10.54,1335 8.725,1336 15.186,1337 12.337,1338 14.775,1339 0.321,1340 0.212,1341 14.14,1342 9.735,1343 10.092,1344 0.202,1345 0.137,1346 10.264,1347 6.867,1348 7.309,1349 0.135,1350 0.086,1351 7.476,1352 4.647,1353 5.38,1354 0.088,1355 0.053,1356 5.799,1357 3.223,1358 0.345,1359 107.001,1360 0.216,1361 31.772,1362 0.532,1363 160,1364 700.528,1365 225.408,1366 609.191,1367 765.67,1368 554,1369 176,1370 481.319,1371 239.692,1372 502.266,1373 736.88,1374 468,1375 8.699} {0 CHEMBL14192,1 1.349,2 5.667,3 1.507,4 2.27,5 48.522,6 7.192,7 0.846,8 3.187,9 3.315,10 2.752,11 2.768,12 4.279,13 2.736,14 3.649,15 3.834,16 2.977,17 3.099,18 4.651,19 3.035,20 3.775,21 4.001,22 2.703,23 3.09,24 4.604,25 2.937,26 3.746,27 4.04,28 2.513,29 2.887,30 4.498,31 2.725,32 3.436,33 3.693,34 2.465,35 2.713,36 4.333,37 2.594,38 3.304,39 3.569,40 2.161,41 2.518,42 4.205,43 2.37,44 2.901,45 3.212,46 1.406,47 1.948,48 3.664,49 1.737,50 2.018,51 2.38,52 0.258,53 0.947,54 2.485,55 0.695,56 0.017,57 0.324,58 4.491,59 1.849,60 4.859,61 2.579,62 0.095,63 0.508,64 7.846,65 2.797,66 8.558,67 3.967,68 0.048,69 0.518,70 9.249,71 3.842,72 8.863,73 5.473,74 0.078,75 0.481,76 9.831,77 3.551,78 10.563,79 5.249,80 0.047,81 0.365,82 6.831,83 2.578,84 8.197,85 3.754,86 0.048,87 0.315,88 6.043,89 2.194,90 8.742,91 3.214,92 0.035,93 0.194,94 4.215,95 1.475,96 6.26,97 2.205,98 0.018,99 0.066,100 1.765,101 0.579,102 2.518,103 0.892,105 16,106 0.279,107 0.569,108 0.731,109 0.803,110 0.829,111 0.829,112 2.596,113 0.911,114 -3.14,115 -3.13,116 -3.01,118 45.5,124 1,140 5,141 1,143 1,149 1,156 1,168 6,171 1,172 1,180 6,186 2,194 3,198 3,210 3,222 2,234 1,270 106,271 8.414,272 8.414,273 8.414,274 8.414,275 8.414,276 7.041,277 8.381,278 5.37,279 8.59,280 6.466,281 6.466,282 6.466,283 6.466,284 6.466,285 4.571,286 13.558,287 2.609,288 6.744,289 3.111,290 1.71,291 0.926,292 0.58,293 0.455,294 0.455,295 3.238,300 1,301 145,302 1.414,305 30.462,306 36.262,313 0.889,314 2.751,317 1,318 0.83,319 0.83,320 0.6,322 1,323 1,324 0.75,325 25,326 68,327 4.035,328 2.907,329 5.584,330 3.64,331 2.685,332 3.59,333 0.522,334 7.705,335 2.581,336 3.747,337 2.353,338 5.057,339 3.245,340 2.29,341 3.313,343 6.159,344 2.169,345 2.916,346 1.567,347 3.634,348 2.47,349 1.483,350 2.089,352 3.126,353 1.464,354 2.554,355 1.171,356 3.342,357 2.046,358 1.115,359 1.576,361 2.449,362 1.035,363 2.5,364 1,365 3.247,366 2,367 1,368 1.5,370 2.136,371 1,372 2.118,373 0.618,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.158,382 0.077,383 2.574,384 0.826,385 -0.14,386 -0.176,388 -0.354,389 -0.134,390 0.5,391 -0.817,392 1.555,393 0.032,394 -0.93,395 -1.238,397 -2.118,398 -0.893,399 0.466,400 -1,401 1.497,403 -1,404 -1.5,406 -2.347,407 -1,408 -0.117,409 -1.387,410 1,411 -0.586,412 -1.543,413 -2.052,415 -3.456,416 -1.45,417 -0.118,418 -1.618,419 0.927,420 -0.706,421 -1.618,422 -2.427,424 -4.372,425 -1.498,426 -0.5,427 -1.791,428 0.385,429 -1,430 -1.96,431 -2.601,433 -4.789,434 -1.851,435 -0.759,436 -2,437 0.198,438 -1.021,439 -2,440 -3,441 -0.522,442 -5.512,443 -2,462 5.8,463 0.483,464 0.137,465 0.011,466 17.75,467 1.479,468 10,469 0.833,470 7.75,471 0.646,472 5.209,473 0.434,474 12.2,475 0.555,476 8.712,477 0.726,478 3.73,479 0.311,480 2.22,481 0.185,484 0.155,487 0.902,488 1.397,489 0.794,490 1.076,491 0.721,492 0.952,493 1.419,494 0.914,495 1.091,496 0.906,497 1.104,498 0.956,499 0.757,500 1.187,501 1.18,502 1.303,503 1.035,504 1.286,505 0.958,506 0.85,507 0.906,508 0.862,509 0.849,510 0.876,511 0.879,512 0.952,513 0.863,514 0.905,515 0.715,516 0.886,517 1.114,518 0.985,519 1.082,520 1.023,521 1.284,522 1.044,523 1.053,524 0.926,525 1.08,526 1.008,527 1.424,528 1.04,529 0.995,530 0.501,531 0.872,532 0.644,533 1.292,534 0.727,535 1.5,537 0.444,538 0.41,539 0.186,540 0.056,541 0.069,542 0.015,545 946,546 2312,547 2.14,548 45.5,550 7,551 1,552 2,558 1.45,559 2.118,560 2.621,561 -0.807,567 29.669,568 1.349,569 2.75,570 3.534,571 3.88,572 4.005,573 4.005,574 1.959,575 2.752,576 3.564,577 2.639,578 174.202,579 5.826,580 1217.69,582 1,585 98.107,586 0.65,587 3.565,588 0.115,590 0.028,591 0.037,592 0.021,593 0.006,594 0.011,595 0.007,598 0.226,599 1,600 1,602 42.425,603 0.068,604 -0.311,605 0.07,606 -0.127,607 0.116,608 -0.046,609 -0.116,610 0.195,611 -0.175,613 -0.193,614 -0.076,615 -0.075,616 -0.269,617 -0.271,618 -0.326,619 -0.263,620 -0.319,621 -0.023,622 0.042,623 0.092,624 0.099,625 0.074,626 0.105,627 0.014,628 -0.026,629 0.102,630 0.061,631 0.218,632 0.085,633 -0.129,634 -0.056,635 -0.111,636 -0.077,637 -0.104,638 -0.089,639 -0.079,640 -0.066,641 -0.064,642 -0.061,643 -0.157,644 -0.061,645 -0.019,646 0.269,647 0.227,648 0.319,649 -0.032,650 0.301,651 0.596,652 0.981,653 0.917,654 5.028,655 0.988,656 1.121,657 1.908,658 3.641,659 0.684,660 2.639,661 2.833,662 2.996,663 3.178,664 3.135,665 2.944,666 2.944,667 2.833,668 2.565,669 2.197,670 3.608,671 0.643,672 158.22,673 2.639,674 4.078,675 4.86,676 5.666,677 6.463,678 7.276,679 8.077,680 8.891,681 9.694,682 10.508,683 9.1,691 1,693 1,699 8,700 1,704 1,705 1,706 11,724 22,726 11,727 1,728 13,730 23,731 10,733 9,734 1,735 5,739 2,740 2,753 9,754 1,772 10,773 1,775 2,778 1,779 2,784 1,801 1,802 1,832 2,840 12,846 1,869 5.667,870 3.817,871 2.75,872 1.214,874 1.957,875 1.376,876 0.989,877 2.013,878 7.161,879 2.97,880 3.489,881 3.973,882 4.479,883 4.676,884 4.577,885 4.925,886 5.211,887 5.328,888 5.328,889 0.75,890 11,891 4.39,892 0.006,893 1.746,894 7.514,895 8.532,896 0.002,897 6.622,898 -0.002,899 2.014,900 24.167,901 0.016,904 117.711,905 79.386,906 18.685,911 79.386,912 117.711,913 18.685,915 2.106,916 56.429,917 48.946,918 14.132,919 11.771,920 82.398,922 117.711,923 98.071,927 117.711,931 21.671,932 59.614,933 16.786,935 117.711,936 18.685,937 79.386,940 117.711,941 5.291,942 75.994,944 16.786,945 117.711,946 18.685,947 79.386,949 0.547,950 0.301,951 0.166,952 0.074,953 8,954 2,955 0.087,956 2,958 1,959 2.589,960 65.827,962 11,963 39.02,968 7.257,969 3.329,970 1.813,972 16.786,973 15.929,974 3.981,978 1.301,979 2.051,981 215.782,982 18.5,994 21.738,995 24.657,996 0.302,997 0.617,998 0.792,999 0.87,1000 0.898,1001 0.898,1002 4.09,1003 -0.93,1004 4.745,1005 -0.354,1006 3.497,1007 4.167,1008 0.434,1009 5.371,1010 3.418,1011 5.232,1012 -1,1013 6.168,1014 -2.118,1015 2.565,1016 3.332,1018 5.784,1019 2.431,1020 6.461,1021 -1.543,1022 7.685,1023 -2.347,1024 4.89,1025 6.225,1026 0.138,1027 8.872,1028 4.729,1029 7.728,1030 -1.618,1031 9.261,1032 -3.456,1033 4.875,1034 6.329,1036 10.19,1037 4.638,1038 9.026,1039 -1.96,1040 10.877,1041 -4.372,1042 6.532,1043 8.498,1044 0.039,1045 12.657,1046 6.29,1047 10.345,1048 -2,1049 12.52,1050 -4.789,1051 6.971,1052 9.061,1054 14.347,1055 6.65,1056 11.68,1058 14.18,1059 -5.512,1060 8.303,1061 10.873,1062 0.011,1063 16.574,1064 7.981,1065 2.685,1067 15.853,1069 8.981,1070 11.688,1072 18.438,1073 8.584,1074 2.29,1075 7.705,1076 17.534,1078 10.148,1079 13.301,1080 0.003,1081 20.562,1082 9.745,1083 1.483,1084 6.159,1085 19.221,1086 3.59,1087 10.957,1088 14.268,1090 22.511,1091 10.488,1092 1.115,1093 3.126,1094 20.912,1095 3.313,1096 12.037,1097 15.763,1098 0.001,1099 24.589,1100 11.555,1101 1,1102 2.449,1103 22.607,1104 2.089,1105 12.921,1106 16.825,1108 26.582,1109 12.38,1110 0.618,1111 2.136,1112 24.305,1113 1.576,1114 13.955,1115 18.245,1117 28.638,1118 13.394,1119 -0.14,1120 1.372,1121 26.005,1122 1.5,1123 14.881,1124 19.371,1126 30.654,1127 14.267,1128 954,1129 1541,1130 9.129,1131 15.057,1132 18.665,1133 18.237,1134 18.413,1135 18.371,1136 18.381,1137 25.989,1138 1.043,1139 45.894,1140 17.652,1141 4.795,1142 4.907,1143 5.386,1144 4.661,1145 4.685,1146 6.59,1147 1.043,1148 13.216,1149 4.581,1151 1.436,1152 1.403,1153 1.416,1154 1.413,1155 1.414,1156 1.999,1157 0.08,1158 3.53,1159 1.358,1160 3.985,1161 4.039,1162 3.921,1163 3.877,1164 4.963,1165 3.877,1166 3.792,1167 3.841,1168 3.723,1169 3.629,1170 4.73,1171 3.652,1172 3.08,1173 3.153,1174 2.934,1175 2.946,1176 3.817,1177 2.933,1178 2.854,1179 2.925,1180 2.687,1181 2.735,1182 3.674,1183 2.715,1184 2.54,1185 2.632,1186 2.355,1187 2.361,1188 3.395,1189 2.345,1190 2.441,1191 2.546,1192 2.242,1193 2.214,1194 3.283,1195 2.204,1196 2.037,1197 2.185,1198 1.727,1199 1.702,1200 2.637,1201 1.693,1202 1.602,1203 1.802,1204 1.039,1205 1.217,1206 1.992,1207 1.144,1208 0.31,1209 0.224,1210 0.43,1211 0.28,1212 0.207,1213 4.035,1214 0.276,1215 2.907,1216 0.04,1217 5.584,1218 0.593,1219 3.64,1220 0.199,1221 2.685,1222 3.59,1223 0.522,1224 7.705,1225 2.581,1226 1.918,1227 1.887,1228 2.046,1229 2.016,1230 1.175,1231 2.028,1232 1.506,1233 1.44,1234 1.679,1235 1.726,1236 0.798,1237 1.717,1238 1.293,1239 1.224,1240 1.472,1241 1.525,1242 0.441,1243 1.513,1244 0.926,1245 0.862,1246 1.186,1247 1.113,1248 0.226,1249 1.147,1250 0.886,1251 0.821,1252 1.181,1253 1.062,1254 0.218,1255 1.107,1256 0.409,1257 0.292,1258 0.86,1259 0.694,1261 0.758,1264 0.43,1265 0.201,1267 0.291,1270 0.381,1271 0.133,1273 0.23,1274 3.296,1276 4.511,1277 2.398,1278 5.911,1279 4.443,1280 7.39,1281 6.26,1282 8.907,1290 0.904,1300 14.15,1301 29.669,1302 60.498,1303 77.743,1304 85.353,1305 88.107,1306 88.107,1307 8.4,1308 5.204,1309 17.82,1310 17.82,1311 11,1312 11.096,1313 3.585,1314 2.7,1315 17.232,1316 26,1317 18,1318 0.344,1319 90.859,1320 143.84,1321 213.455,1322 898,1324 8.226,1325 0.685,1326 0.56,1327 8.226,1328 6.72,1329 5.949,1330 0.458,1331 0.304,1332 3.901,1333 5.776,1334 3.806,1335 3.202,1336 5.949,1337 3.947,1338 4.89,1339 0.306,1340 0.17,1341 4.89,1342 2.721,1343 3.866,1344 0.203,1345 0.093,1346 3.866,1347 1.767,1348 3.14,1349 0.137,1350 0.051,1351 3.14,1352 1.174,1353 2.021,1354 0.092,1355 0.03,1356 2.021,1357 0.663,1358 0.518,1359 36.809,1360 0.331,1361 12.347,1362 0.986,1363 58,1364 149.29,1365 61.525,1366 150.593,1367 207.59,1368 142,1369 64,1370 151.93,1371 68.191,1372 157.943,1373 222.18,1374 147,1375 6.22} {0 CHEMBL147308,1 1.52,2 18.308,3 3.777,4 14.263,5 146.034,6 7.212,7 0.405,8 4.386,9 4.494,10 3.912,11 3.888,12 5.478,13 3.872,14 4.942,15 5.104,16 4.214,17 4.259,18 6.043,19 4.211,20 5.202,21 5.425,22 4.22,23 4.372,24 6.197,25 4.283,26 5.189,27 5.413,28 4.188,29 4.351,30 6.188,31 4.259,32 5.17,33 5.394,34 4.155,35 4.354,36 6.152,37 4.258,38 5.163,39 5.392,40 4.131,41 4.347,42 6.139,43 4.239,44 5.147,45 5.386,46 4.096,47 4.289,48 6.117,49 4.185,50 5.071,51 5.306,52 4.108,53 4.231,54 6.085,55 4.146,56 0.064,57 1.012,58 15.775,59 7.174,60 13.439,61 9.129,62 0.496,63 1.603,64 30.387,65 11.68,66 61.484,67 15.436,68 0.781,69 1.922,70 42.357,71 14.994,72 83.453,73 20.576,74 0.696,75 1.895,76 41.743,77 14.678,78 83.422,79 20.275,80 0.67,81 1.886,82 40.813,83 14.448,84 80.055,85 19.962,86 0.562,87 1.9,88 40.122,89 14.47,90 68.943,91 20.33,92 0.597,93 1.842,94 40.116,95 13.79,96 72.273,97 19.606,98 0.493,99 1.734,100 36.767,101 12.605,102 62.17,103 17.999,104 16,105 54,106 0.235,107 0.576,108 0.772,109 0.873,110 0.897,111 0.897,112 3.692,113 0.962,114 -3.6,115 -3.57,116 -3.41,118 40.5,120 7,124 4,126 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 17,169 1,171 1,172 7,175 2,177 1,180 18,181 1,185 2,186 9,189 2,191 1,194 17,195 1,197 1,198 8,201 1,203 1,206 16,207 1,209 1,210 8,215 2,218 15,219 1,221 1,222 8,225 1,227 4,229 12,230 1,233 1,234 9,239 4,242 8,243 2,246 1,247 10,252 4,255 4,256 3,258 3,259 12,260 1,264 4,267 1,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 18.048,278 16.658,279 27.234,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.059,286 14.572,287 7.996,288 21.461,289 4.689,290 2.485,291 1.214,292 0.562,293 0.405,294 0.405,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 42.979,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 85.5,326 714,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.598,349 2.6,350 3.449,351 0.86,352 8.178,353 2.589,354 3.639,355 2.934,356 5.34,357 3.449,358 2.521,359 3.06,360 0.86,361 6.965,362 2.331,363 3.55,364 2.829,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.522,373 2.276,374 4.659,375 3.196,376 2.209,377 2.534,379 5.184,380 2.18,381 3.269,382 2.253,383 4.542,384 2.81,385 1.843,386 2.518,388 4.677,389 1.786,390 2.996,391 2.034,392 4.17,393 2.677,394 1.715,395 2.143,397 3.872,398 1.65,399 2.757,400 1.892,401 3.957,402 2.563,403 1.598,404 1.798,406 3.482,407 1.525,408 2.708,409 1.653,410 3.714,411 2.449,412 1.476,413 1.715,415 3.162,416 1.433,417 2.513,418 1.533,419 3.634,420 2.348,421 1.379,422 1.502,424 3.063,425 1.326,426 2.5,427 1.346,428 3.478,429 2.062,430 1.085,431 1.5,433 2.63,434 1.055,435 2.5,436 1.31,437 3.414,438 2,439 1,440 1.5,442 2.323,443 1,444 2.415,445 1.307,446 3.389,447 1.956,448 1,449 1.363,451 2.275,452 0.953,453 2.341,454 1.171,455 3.267,456 1.945,457 1,458 1.243,460 2.136,461 0.938,462 18.2,463 0.467,464 0.661,465 0.017,466 45.25,467 1.16,468 20.5,469 0.526,470 24.75,471 0.635,472 36.868,473 0.945,474 43.6,475 0.589,476 37.773,477 0.969,478 8.894,479 0.228,480 10.204,481 0.262,482 0.055,484 0.247,487 0.809,488 1.327,489 0.818,490 1.195,491 0.661,492 1.036,493 0.932,494 1.16,495 0.992,496 1.114,497 0.569,498 1.073,499 0.926,500 0.918,501 0.952,502 0.932,503 0.834,504 0.95,505 0.944,506 0.991,507 0.97,508 0.974,509 0.923,510 0.978,511 0.959,512 0.967,513 1.009,514 0.95,515 0.862,516 0.982,517 0.794,518 1.057,519 0.997,520 1.051,521 0.736,522 1.061,523 0.84,524 1.051,525 0.961,526 0.999,527 0.902,528 0.999,529 0.776,530 1.06,531 0.886,532 1.004,533 0.835,534 0.96,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 77791,547 2.082,548 47.3,549 8,550 16,551 1,552 2,553 2,554 2,555 4,558 1.79,559 2,560 4.093,561 0.136,567 112.503,568 1.52,569 3.724,570 4.995,571 5.647,572 5.804,573 5.804,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 459.5,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.33,600 0.75,601 1.233,602 225.902,603 -0.045,604 -0.118,605 0.043,606 -0.053,607 -0.025,608 0.002,609 0.028,610 -0.056,611 -0.058,612 -0.06,613 0.114,614 -0.075,615 0.023,616 0.076,617 0.023,618 0.07,619 0.004,620 0.047,621 -0.012,622 0.001,623 0.004,624 0.027,625 -0.032,626 0.019,627 -0.062,628 0.039,629 -0.043,630 0.055,631 -0.067,632 0.017,633 -0.013,634 -0.038,635 -0.048,636 -0.043,637 -0.015,638 -0.052,639 -0.009,640 -0.048,641 0.006,642 -0.012,643 -0.046,644 -0.001,645 0.032,646 -0.032,647 0.076,648 -0.019,649 0.007,650 0.034,651 2.441,652 5.479,653 0.59,654 67.057,655 1.005,656 1.127,657 2.372,658 5.627,659 0.648,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.619,672 533.68,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 4.1,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 74,726 20,727 1,728 42,730 77,731 30,733 14,734 2,735 4,736 3,739 4,740 4,748 4,751 8,753 18,754 12,756 3,761 2,763 1,765 3,772 35,773 9,774 2,775 9,779 3,784 1,785 6,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 2,832 4,840 39,845 1,846 11,847 1,848 2,850 1,862 8.1,864 1,865 2,866 2,867 1,869 19.5,870 12.85,871 8.861,872 4.693,874 3.021,875 1.376,876 0.941,877 11.272,878 11.047,879 3.998,880 4.48,881 4.983,882 5.495,883 5.944,884 6.23,885 6.645,886 7.011,887 7.397,888 7.743,889 1,890 53,891 14.467,893 6.026,894 7.812,895 27.67,897 22.256,899 2.312,900 90.167,904 388.446,905 155.926,906 51.582,908 124.48,911 155.926,912 512.927,913 51.582,915 51.635,916 78.073,917 182.721,918 43.101,919 11.771,920 353.133,922 388.446,923 207.508,924 124.48,927 341.362,928 149.565,929 22,931 77.507,932 86.954,933 43.047,935 388.446,936 176.062,937 155.926,940 388.446,941 59.758,942 96.168,943 18.011,944 158.051,945 388.446,946 176.062,947 155.926,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.182,956 14,958 1,959 5.193,960 347.245,962 23,963 202.131,968 28.69,969 15.322,970 9.138,972 176.062,973 16.532,974 8.599,976 5.582,978 3.294,980 60.694,981 720.435,982 53.5,987 23.259,989 2.118,991 -0.067,994 74.407,995 83.395,996 0.245,997 0.6,998 0.804,999 0.909,1000 0.935,1001 0.935,1002 5.2,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.168,1008 2.692,1009 6.723,1010 4.638,1011 6.345,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.967,1020 7.604,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.213,1026 3.746,1027 10.556,1028 6.094,1029 8.901,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.326,1038 10.236,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.579,1044 5.226,1045 14.785,1046 7.848,1047 11.599,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.511,1056 12.982,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 12.116,1062 6.853,1063 19.199,1064 9.777,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.655,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.75,1080 8.526,1081 23.702,1082 11.81,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.793,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.053,1097 17.438,1098 10.216,1099 28.251,1100 13.903,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.938,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.031,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.093,1128 27880,1129 45769,1130 28.602,1131 47.926,1132 61.564,1133 62.985,1134 61.749,1135 60.725,1136 60.738,1137 76.397,1138 10.238,1139 160.195,1140 58.959,1141 5.411,1142 5.596,1143 6.304,1144 5.128,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.78,1151 1.466,1152 1.5,1153 1.47,1154 1.446,1155 1.446,1156 1.819,1157 0.244,1158 3.814,1159 1.404,1160 4.045,1161 4.067,1162 4.003,1163 3.969,1164 7.474,1165 3.97,1166 3.889,1167 3.916,1168 3.849,1169 3.757,1170 7.429,1171 3.772,1172 3.838,1173 3.881,1174 3.713,1175 3.675,1176 6.351,1177 3.675,1178 3.738,1179 3.78,1180 3.672,1181 3.595,1182 5.149,1183 3.611,1184 3.721,1185 3.764,1186 3.597,1187 3.573,1188 4.916,1189 3.574,1190 3.562,1191 3.614,1192 3.438,1193 3.339,1194 4.692,1195 3.352,1196 3.451,1197 3.485,1198 3.344,1199 3.282,1200 4.661,1201 3.288,1202 3.295,1203 3.358,1204 3.165,1205 3.092,1206 4.451,1207 3.087,1208 0.105,1209 0.086,1210 0.155,1211 0.096,1212 0.072,1213 4.411,1214 0.097,1215 3.596,1216 0.056,1217 6.502,1218 0.243,1219 4.036,1220 0.072,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.372,1231 2.063,1232 1.799,1233 1.767,1234 2.024,1235 1.994,1236 1.327,1237 2.003,1238 1.797,1239 1.751,1240 1.955,1241 1.911,1242 1.163,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 1.046,1249 1.899,1250 1.602,1251 1.556,1252 1.808,1253 1.852,1254 0.963,1255 1.837,1256 1.433,1257 1.396,1258 1.644,1259 1.632,1260 0.915,1261 1.629,1262 1.398,1263 1.361,1264 1.597,1265 1.631,1266 0.835,1267 1.613,1268 1.246,1269 1.178,1270 1.496,1271 1.474,1272 0.616,1273 1.486,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.861,1290 7.767,1291 2.805,1292 11.264,1294 0.152,1300 45.782,1301 112.503,1302 275.609,1303 369.651,1304 417.89,1305 429.5,1306 429.5,1307 89.558,1308 8.026,1309 123.78,1310 123.78,1311 23,1312 12.544,1313 4.392,1314 3.644,1315 70.774,1316 243,1317 263,1318 0.137,1319 281.126,1320 502.12,1321 677.708,1322 41503,1324 27.288,1325 0.7,1326 0.564,1327 27.288,1328 22.012,1329 19.097,1330 0.455,1331 0.321,1332 13.261,1333 18.281,1334 13.062,1335 10.786,1336 19.097,1337 13.462,1338 16.221,1339 0.3,1340 0.175,1341 16.221,1342 9.434,1343 12.978,1344 0.194,1345 0.096,1346 12.978,1347 6.455,1348 10.358,1349 0.126,1350 0.053,1351 10.358,1352 4.375,1353 8.01,1354 0.083,1355 0.03,1356 8.01,1357 2.922,1358 0.226,1359 120.495,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 618.45,1365 213.88,1366 577.931,1367 770.06,1368 542,1369 217,1370 539.468,1371 237.75,1372 539.631,1373 783.67,1374 508,1375 7.201} {0 CHEMBL147444,1 1.417,2 18.333,3 5.854,4 34.268,5 154.526,6 6.647,7 0.293,8 4.425,9 4.554,10 3.868,11 3.964,12 5.477,13 3.912,14 4.981,15 5.17,16 4.163,17 4.355,18 6.026,19 4.256,20 5.318,21 5.571,22 4.21,23 4.508,24 6.254,25 4.372,26 5.346,27 5.607,28 4.165,29 4.484,30 6.295,31 4.345,32 5.305,33 5.558,34 4.178,35 4.473,36 6.32,37 4.338,38 5.294,39 5.549,40 4.145,41 4.465,42 6.237,43 4.324,44 5.281,45 5.545,46 4.099,47 4.399,48 6.231,49 4.263,50 5.187,51 5.443,52 4.091,53 4.313,54 6.182,55 4.198,56 0.068,57 1.093,58 18.12,59 7.901,60 12.951,61 10.808,62 0.344,63 1.757,64 32.61,65 13.311,66 53.659,67 18.807,68 0.445,69 2.221,70 47.054,71 17.745,72 79.774,73 25.46,74 0.478,75 2.222,76 48.89,77 17.512,78 91.938,79 25.304,80 0.591,81 2.159,82 46.868,83 17.023,84 110.489,85 24.539,86 0.374,87 2.169,88 45.939,89 16.921,90 76.315,91 24.572,92 0.44,93 2.102,94 45.859,95 15.812,96 81.157,97 23.274,98 0.386,99 1.91,100 41.804,101 14.28,102 67.175,103 20.853,104 32,105 52,106 0.217,107 0.522,108 0.691,109 0.814,110 0.864,111 0.875,112 3.692,113 1.035,114 -4.79,115 -4.71,116 -4.42,118 40,120 12,121 1,124 1,132 1,133 1,134 1,136 1,140 6,141 3,143 2,154 3,163 1,167 1,168 24,169 1,172 4,175 3,177 4,180 27,181 1,186 6,189 1,190 1,191 5,194 25,195 1,198 7,203 4,206 22,207 1,209 1,210 7,213 1,215 5,218 21,219 1,222 8,227 7,229 16,230 1,234 9,239 8,242 11,243 2,247 9,252 7,255 9,256 3,258 1,259 9,260 1,262 1,264 8,267 10,268 3,270 3684,271 26.346,272 26.346,273 26.346,274 26.346,275 26.346,276 24.168,277 17.406,278 16.4,279 26.493,280 20.26,281 20.26,282 20.26,283 20.26,284 20.26,285 16.858,286 14.96,287 7.852,288 20.436,289 4.905,290 2.908,291 1.804,292 0.998,293 0.669,294 0.6,295 4.376,300 1,301 1487,302 5.292,306 508.083,313 3.043,314 40.478,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 83.5,326 715,327 4.391,328 3.637,329 6.501,330 4.026,331 3.027,332 3.988,333 2.341,334 10.184,335 3.024,336 4.171,337 3.596,338 6.088,339 3.839,340 2.844,341 3.639,342 1.058,343 8.767,344 2.824,345 3.969,346 3.478,347 5.809,348 3.602,349 2.597,350 3.332,351 1.058,352 7.761,353 2.598,354 3.635,355 3.022,356 5.34,357 3.521,358 2.521,359 3.063,361 6.965,362 2.521,363 3.55,364 2.522,365 5.232,366 3.24,367 2.235,368 2.71,370 6.332,371 2.222,372 3.522,373 2.323,374 4.659,375 3.19,376 2.197,377 2.522,379 5.184,380 2.178,381 3.192,382 2.037,383 4.371,384 2.766,385 1.784,386 2.396,388 4.289,389 1.75,390 2.901,391 1.952,392 4.132,393 2.708,394 1.715,395 1.942,397 3.8,398 1.701,399 2.758,400 1.814,401 3.836,402 2.543,403 1.551,404 1.797,406 3.411,407 1.531,408 2.713,409 1.793,410 3.67,411 2.454,412 1.472,413 1.704,415 3.131,416 1.444,417 2.59,418 1.499,419 3.63,420 2.327,421 1.332,422 1.518,424 2.997,425 1.319,426 2.5,427 1.473,428 3.44,429 2.078,430 1.082,431 1.5,433 2.486,434 1.071,435 2.5,436 1.307,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.405,445 1.033,446 3.374,447 2,448 1,449 1.34,451 2.262,452 1,453 2.383,454 1,455 3.247,456 1.978,457 1,458 1.259,460 2.136,461 0.972,462 18.533,463 0.475,464 0.736,465 0.019,466 42.5,467 1.09,468 19.5,469 0.5,470 23,471 0.59,472 40.614,473 1.041,474 43.867,475 0.548,476 36.045,477 0.924,478 7.749,479 0.199,480 11.187,481 0.287,482 0.099,484 0.243,487 0.719,488 1.263,489 0.924,490 1.145,491 0.618,492 1.071,493 0.47,494 1.241,495 0.986,496 1.215,497 0.42,498 1.175,499 0.745,500 1.001,501 0.925,502 1.009,503 0.716,504 0.996,505 0.981,506 0.964,507 0.97,508 0.953,509 0.943,510 0.958,511 0.86,512 0.957,513 0.953,514 0.946,515 0.872,516 0.96,517 0.808,518 1.083,519 0.972,520 1.048,521 0.776,522 1.033,523 0.967,524 1.026,525 0.983,526 0.978,527 0.927,528 0.975,529 1.039,530 1.027,531 0.934,532 0.971,533 1.028,534 0.935,535 6,536 0.301,537 3.778,538 1.875,539 1.284,540 0.938,541 0.626,542 0.516,543 0.509,544 0.386,545 28075,546 65376,547 2.009,548 51.3,549 21,550 11,552 2,553 3,554 2,555 2,558 1.79,559 1.902,560 4.102,561 0.697,567 113.34,568 1.417,569 3.413,570 4.518,571 5.323,572 5.653,573 5.722,574 3.643,575 4.856,576 5.248,577 4.337,578 3213.65,579 9.24,580 60986.8,585 505.754,586 1.279,587 5.226,588 0.146,589 0.007,590 0.073,591 0.035,592 0.026,593 0.018,594 0.013,595 0.011,596 0.011,597 0.008,598 0.348,599 0.17,600 0.75,601 1.329,602 226.161,603 -0.044,604 -0.017,605 0.016,606 0.027,607 -0.021,608 0.028,609 0.187,610 -0.103,611 -0.045,612 -0.118,613 0.169,614 -0.115,615 0.033,616 0.004,617 0.036,618 0.005,619 0.046,620 0.017,621 -0.066,622 0.021,623 0.009,624 0.035,625 -0.023,626 0.033,627 0.043,628 0.04,629 0.024,630 0.052,631 0.041,632 0.037,633 -0.031,634 -0.074,635 -0.011,636 -0.043,637 -0.022,638 -0.027,639 -0.06,640 -0.023,642 -0.008,643 -0.054,644 0.004,645 -0.039,646 -0.02,647 0.061,649 -0.045,650 0.041,651 2.453,652 5.736,653 0.462,654 66.237,655 0.993,656 1.128,657 3.563,658 12.698,659 0.641,660 3.738,661 3.97,662 4.143,663 4.29,664 4.454,665 4.431,666 4.543,667 4.625,668 4.682,669 4.673,670 10.512,671 0.599,672 531.76,673 3.738,674 5.231,675 6.028,676 6.851,677 7.667,678 8.498,679 9.324,680 10.16,681 10.993,682 11.834,683 3.8,690 2,693 1,699 8,700 1,704 3,706 12,712 1,724 80,726 17,727 1,728 41,730 82,731 32,733 11,734 2,735 4,736 6,739 3,740 3,748 5,749 1,751 12,753 18,754 14,755 1,756 5,757 1,761 3,763 1,765 5,772 41,773 7,774 3,775 7,779 3,784 1,785 4,795 1,802 3,816 1,818 1,820 1,822 2,823 1,830 1,832 3,840 39,845 1,846 13,847 2,850 1,862 5,864 1,865 3,869 20.5,870 13.733,871 8.944,872 5.315,874 2.111,875 1.28,876 0.931,877 12.954,878 9.637,879 3.97,880 4.407,881 4.836,882 5.25,883 5.712,884 5.873,885 6.282,886 6.521,887 6.773,888 6.96,889 1,890 53,891 14.521,893 6.01,894 7.812,895 28.003,897 22.676,899 2.312,900 90.167,904 447.302,905 158.534,906 52.807,908 118.118,911 158.534,912 565.42,913 52.807,915 84.309,916 66.334,917 171.522,918 30.837,920 423.76,922 447.302,923 211.341,924 118.118,927 423.76,928 141.66,931 86.636,932 95.686,933 29.019,935 447.302,936 170.925,937 158.534,940 447.302,941 58.338,942 84.429,943 36.022,944 150.671,945 447.302,946 170.925,947 158.534,949 0.559,950 0.308,951 0.155,952 0.082,953 18,954 9,955 0.183,956 15,958 1,959 5.112,960 335.98,962 18,963 198.131,968 30.31,969 16.668,970 10.808,972 170.925,973 14.48,974 4.216,978 2.284,980 78.705,981 776.761,982 52,983 3.741,987 35.891,989 2.079,991 -0.529,994 79.403,995 90.221,996 0.224,997 0.54,998 0.715,999 0.842,1000 0.894,1001 0.905,1002 5.17,1003 1.715,1004 5.958,1005 4.289,1006 4.654,1007 5.094,1008 2.642,1009 6.658,1010 4.64,1011 6.309,1012 1.551,1013 7.449,1014 3.8,1015 4.007,1016 4.677,1017 2.243,1018 7.38,1019 4.01,1020 7.564,1021 1.472,1022 9.046,1023 3.411,1024 6.133,1025 7.08,1026 3.753,1027 10.45,1028 6.109,1029 8.853,1030 1.332,1031 10.71,1032 3.131,1033 6.347,1034 7.518,1035 4.112,1036 12.077,1037 6.343,1038 10.179,1039 1.082,1040 12.419,1041 2.997,1042 7.891,1043 9.385,1044 5.232,1045 14.637,1046 7.863,1047 11.53,1048 1,1049 14.16,1050 2.486,1051 8.525,1052 10.228,1053 5.889,1054 16.635,1055 8.513,1056 12.901,1057 1,1058 15.924,1059 2.275,1060 9.809,1061 11.86,1062 6.855,1063 19.022,1064 9.779,1065 3.027,1066 1,1067 17.705,1068 2.262,1069 10.66,1070 12.918,1071 7.625,1072 21.184,1073 10.64,1074 2.844,1075 10.184,1076 19.499,1077 2.136,1078 11.824,1079 14.43,1080 8.527,1081 23.511,1082 11.793,1083 2.597,1084 8.767,1085 21.303,1086 3.988,1087 12.787,1088 15.61,1089 9.342,1090 25.748,1091 12.76,1092 2.521,1093 7.761,1094 23.115,1095 3.639,1096 13.899,1097 17.058,1098 10.216,1099 28.058,1100 13.865,1101 2.235,1102 6.965,1103 24.934,1104 3.332,1105 14.919,1106 18.312,1107 11.051,1108 30.331,1109 14.887,1110 2.197,1111 6.332,1112 26.758,1113 3.063,1114 16.01,1115 19.725,1116 11.912,1117 32.637,1118 15.974,1119 1.784,1120 5.184,1121 28.587,1122 2.71,1123 17.061,1124 21.024,1125 12.755,1126 34.929,1127 17.025,1128 27448,1129 42260,1130 27.216,1131 51.302,1132 59.598,1133 61.35,1134 60.16,1135 58.803,1136 58.805,1137 72.862,1138 8.915,1139 152.966,1140 58.361,1141 5.391,1142 5.637,1143 6.303,1144 5.062,1145 5.027,1146 6.988,1147 3.925,1148 16.944,1149 5.024,1150 19.818,1151 1.454,1152 1.496,1153 1.467,1154 1.434,1155 1.434,1156 1.777,1157 0.217,1158 3.731,1159 1.423,1160 4.023,1161 4.052,1162 3.969,1163 3.962,1164 7.474,1165 3.959,1166 3.903,1167 3.958,1168 3.777,1169 3.802,1170 7.434,1171 3.785,1172 3.829,1173 3.865,1174 3.76,1175 3.732,1176 7.424,1177 3.735,1178 3.728,1179 3.781,1180 3.648,1181 3.587,1182 6.351,1183 3.58,1184 3.725,1185 3.775,1186 3.6,1187 3.558,1188 4.922,1189 3.569,1190 3.576,1191 3.635,1192 3.435,1193 3.432,1194 4.711,1195 3.425,1196 3.465,1197 3.499,1198 3.364,1199 3.309,1200 4.637,1201 3.315,1202 3.302,1203 3.373,1204 3.191,1205 3.101,1206 4.306,1207 3.1,1208 0.107,1209 0.089,1210 0.159,1211 0.098,1212 0.074,1213 4.391,1214 0.097,1215 3.637,1216 0.057,1217 6.501,1218 0.248,1219 4.026,1220 0.074,1221 3.027,1222 3.988,1223 2.341,1224 10.184,1225 3.024,1226 1.984,1227 1.962,1228 2.132,1229 2.06,1230 1.536,1231 2.08,1232 1.91,1233 1.857,1234 2.081,1235 2.047,1236 1.327,1237 2.067,1238 1.805,1239 1.774,1240 1.958,1241 1.938,1242 1.261,1243 1.937,1244 1.718,1245 1.666,1246 1.928,1247 1.886,1248 1.161,1249 1.903,1250 1.687,1251 1.629,1252 1.903,1253 1.879,1254 0.963,1255 1.891,1256 1.559,1257 1.51,1258 1.73,1259 1.744,1260 0.929,1261 1.749,1262 1.424,1263 1.386,1264 1.642,1265 1.625,1266 0.835,1267 1.624,1268 1.282,1269 1.206,1270 1.583,1271 1.516,1272 0.825,1273 1.538,1274 4.419,1276 5.673,1278 7.109,1280 8.627,1282 10.19,1289 8.849,1290 12.85,1291 5.463,1294 0.842,1300 47.933,1301 113.34,1302 273.08,1303 361.441,1304 425.88,1305 452.244,1306 457.754,1307 117.59,1308 7.526,1309 108.39,1310 108.39,1311 18,1312 12.401,1313 4.17,1314 3.585,1315 84.288,1316 244,1317 263,1318 0.161,1319 299.712,1320 542.4,1321 723.056,1322 22026,1324 27.874,1325 0.715,1326 0.584,1327 27.874,1328 22.792,1329 18.936,1330 0.462,1331 0.345,1332 14.039,1333 18.443,1334 13.764,1335 11.5,1336 18.936,1337 14.15,1338 16.078,1339 0.309,1340 0.197,1341 16.078,1342 10.265,1343 12.513,1344 0.202,1345 0.116,1346 12.513,1347 7.212,1348 9.518,1349 0.132,1350 0.069,1351 9.518,1352 5.001,1353 7.347,1354 0.086,1355 0.041,1356 7.347,1357 3.506,1358 0.266,1359 117.285,1360 0.192,1361 36.584,1362 0.408,1363 186,1364 515.667,1365 200.019,1366 500.885,1367 661.6,1368 464,1369 207,1370 461.996,1371 218.89,1372 469.577,1373 672.54,1374 442,1375 7.447} {0 CHEMBL14771,1 1.533,2 8.933,3 1.75,4 3.063,5 59.021,6 6.719,7 0.333,8 3.491,9 3.623,10 2.938,11 2.94,12 4.605,13 2.91,14 4.003,15 4.208,16 3.137,17 3.26,18 5.181,19 3.175,20 4.221,21 4.5,22 2.856,23 3.294,24 5.057,25 3.118,26 4.17,27 4.467,28 2.77,29 3.206,30 4.931,31 3.024,32 4.076,33 4.361,34 2.696,35 3.088,36 4.933,37 2.924,38 3.941,39 4.222,40 2.6,41 2.943,42 4.851,43 2.794,44 3.762,45 4.028,46 2.492,47 2.774,48 4.748,49 2.645,50 3.571,51 3.832,52 2.366,53 2.551,54 4.646,55 2.453,56 0.023,57 0.428,58 7.079,59 2.689,60 7.462,61 3.881,62 0.21,63 0.628,64 12.486,65 4.166,66 35.922,67 6.274,68 0.171,69 0.651,70 15.826,71 5.289,72 30.996,73 8.054,74 0.162,75 0.603,76 15.105,77 4.914,78 27.916,79 7.618,80 0.186,81 0.536,82 13.904,83 4.256,84 32.003,85 6.58,86 0.175,87 0.465,88 12.195,89 3.574,90 29.812,91 5.563,92 0.151,93 0.388,94 10.18,95 2.926,96 26.981,97 4.519,98 0.144,99 0.312,100 8.487,101 2.211,102 25.121,103 3.472,104 13,105 17,106 0.298,107 0.651,108 0.84,109 0.899,110 0.899,111 0.899,112 2.787,113 1.028,114 -2.68,115 -2.7,116 -2.63,118 35.5,120 4,124 1,133 2,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9.077,277 9.446,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.963,286 4.822,287 3.241,288 7.742,289 3.421,290 1.599,291 0.629,292 0.323,293 0.323,294 0.323,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 12.991,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 33,326 134,327 3.92,328 3.474,329 5.352,330 3.458,331 2.542,332 3.479,333 1.437,334 6.997,335 2.329,336 3.665,337 2.647,338 4.659,339 3.241,340 2.235,341 2.911,343 5.184,344 2.222,345 2.911,346 2.021,347 3.822,348 2.779,349 1.784,350 1.918,352 3.61,353 1.772,354 2.723,355 1.571,356 3.509,357 2.366,358 1.395,359 1.74,361 2.888,362 1.35,363 2.442,364 1.216,365 3.162,366 2.031,367 1.072,368 1.349,370 2.232,371 1.022,372 2.118,373 0.715,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.827,382 0.618,383 2.652,384 1.511,385 0.526,386 0.641,388 1.09,389 0.515,390 1.064,391 0.443,392 2.131,393 0.85,394 -0.136,395 -0.158,397 -0.292,398 -0.133,399 0.519,400 0.013,401 1.605,402 0.224,403 -0.763,404 -0.814,406 -1.699,407 -0.73,408 0.305,409 -0.527,410 1.059,411 -0.015,412 -1,413 -1.3,415 -2,416 -0.972,417 -0.061,418 -1.124,419 1,420 -0.294,421 -1.253,422 -1.488,424 -2.746,425 -1.221,426 -0.118,427 -1.503,428 1,429 -0.61,430 -1.583,431 -1.806,433 -3.358,434 -1.472,435 -0.313,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.387,442 -4.156,443 -1.546,444 -0.603,445 -1.712,446 0.37,447 -0.865,448 -1.838,449 -2.427,451 -4.372,452 -1.773,453 -0.898,454 -1.892,455 0.133,456 -1.024,457 -1.982,458 -2.585,459 -1.437,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 16.25,467 1.083,468 7,469 0.467,470 9.25,471 0.617,472 10.145,473 0.676,474 17.633,475 0.569,476 9.035,477 0.602,478 3.252,479 0.217,480 4.036,481 0.269,482 0.096,484 0.129,487 0.82,488 1.628,489 0.913,490 1.334,491 0.701,492 1.169,493 0.586,494 1.202,495 1.043,496 1.212,497 0.341,498 1.194,499 0.683,500 0.997,501 0.985,502 1.073,503 0.636,504 1.083,505 0.598,506 0.929,507 0.884,508 0.985,509 0.561,510 0.984,511 0.895,512 0.912,513 0.981,514 0.951,515 0.893,516 0.978,517 1.023,518 0.907,519 1.007,520 0.924,521 1.025,522 0.956,523 1.177,524 0.96,525 1.051,526 0.953,527 1.22,528 0.977,529 1.431,530 0.909,531 1.057,532 0.847,533 1.475,534 0.879,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6161,547 1.925,548 51.6,549 6,550 4,551 1,552 2,553 1,555 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 47.526,568 1.533,569 3.355,570 4.325,571 4.632,572 4.632,573 4.632,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 153.58,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.063,604 -0.312,605 0.008,606 -0.115,607 -0.033,608 -0.057,609 0.17,610 -0.022,611 -0.11,612 -0.149,613 0.283,614 -0.172,615 -0.034,616 -0.056,617 -0.073,618 -0.076,619 0.001,620 -0.08,621 0.009,622 -0.021,623 0.027,624 -0.015,625 -0.001,626 0.008,627 -0.078,628 -0.008,629 -0.038,630 -0.002,631 -0.086,632 -0.01,633 -0.111,634 -0.002,635 -0.047,636 0.008,637 -0.121,638 -0.004,639 -0.147,640 -0.044,641 -0.074,642 -0.019,643 -0.163,644 -0.031,645 -0.203,646 -0.005,647 -0.044,648 0.047,649 -0.207,650 0.034,651 2.534,652 3.147,653 0.333,654 11.271,655 1.001,656 1.139,657 1.454,658 2.114,659 0.621,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.586,672 208.29,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.5,691 1,693 1,699 3,700 1,705 1,706 5,724 31,726 7,728 15,730 31,731 11,733 3,736 3,739 1,740 1,751 4,753 6,754 5,756 2,761 1,763 2,765 1,769 1,772 16,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 2,830 1,832 1,840 15,845 1,846 5,862 6.5,864 1,865 1,869 8.167,870 5.183,871 3.583,872 1.931,874 1.199,875 1.233,876 0.875,877 5.597,878 6.34,879 3.02,880 3.376,881 3.673,882 3.981,883 3.621,884 3.594,885 3.566,886 3.594,887 3.66,888 3.944,889 0.833,890 12,891 5.5,892 -0.001,893 2.112,894 7.978,895 10.463,897 7.795,898 -0.001,899 2.478,900 37.167,901 0.003,904 176.567,905 58.82,906 18.685,908 67.828,911 58.82,912 244.395,913 18.685,915 12.244,916 28,917 117.684,918 10.947,919 11.771,920 141.253,922 176.567,923 77.504,924 67.828,927 153.024,928 91.37,931 31.809,932 9.957,933 35.738,935 176.567,936 86.513,937 58.82,940 176.567,941 13.154,942 47.565,944 84.614,945 176.567,946 86.513,947 58.82,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.226,956 7,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.826,969 7.099,970 5.942,972 84.614,973 5.532,974 3.956,979 2.049,980 42.683,981 321.899,982 19.5,987 10.147,989 2.912,991 -0.867,994 31.043,995 35.322,996 0.309,997 0.677,998 0.873,999 0.935,1000 0.935,1001 0.935,1002 4.131,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.052,1008 1.635,1009 5.252,1010 3.479,1011 5.225,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1018 5.46,1019 2.41,1020 6.419,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 5.932,1026 2.253,1027 8.47,1028 4.674,1029 7.648,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.129,1036 9.649,1037 4.411,1038 8.911,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.072,1044 2.922,1045 12.016,1046 6.068,1047 10.195,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.747,1054 13.616,1055 6.224,1056 11.496,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.351,1062 3.619,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.28,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.71,1080 4.33,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.479,1087 10.412,1088 13.779,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.911,1096 11.465,1097 15.118,1098 5.047,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 1.918,1105 12.261,1106 16.265,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.74,1114 13.26,1115 17.557,1116 5.769,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.349,1123 14.107,1124 18.748,1126 29.19,1127 13.036,1128 2036,1129 3720,1130 9.822,1131 19.25,1132 21.011,1133 20.779,1134 20.581,1135 20.346,1136 20.347,1137 25.93,1138 2.873,1139 46.746,1140 19.576,1141 4.818,1142 5.366,1143 5.22,1144 4.482,1145 4.524,1146 6.064,1147 2.873,1148 11.747,1149 4.268,1150 6.767,1151 1.401,1152 1.385,1153 1.372,1154 1.356,1155 1.356,1156 1.729,1157 0.192,1158 3.116,1159 1.305,1160 3.939,1161 4.009,1162 3.868,1163 3.747,1164 7.476,1165 3.764,1166 3.75,1167 3.798,1168 3.643,1169 3.612,1170 6.351,1171 3.614,1172 3.523,1173 3.564,1174 3.398,1175 3.359,1176 4.953,1177 3.358,1178 3.211,1179 3.263,1180 3.054,1181 2.985,1182 4.309,1183 2.991,1184 2.864,1185 2.932,1186 2.676,1187 2.586,1188 4.004,1189 2.602,1190 2.54,1191 2.64,1192 2.3,1193 2.31,1194 3.619,1195 2.297,1196 2.454,1197 2.56,1198 2.23,1199 2.184,1200 3.344,1201 2.181,1202 2.213,1203 2.354,1204 1.903,1205 1.868,1206 3.177,1207 1.855,1208 0.261,1209 0.232,1210 0.357,1211 0.231,1212 0.169,1213 3.92,1214 0.232,1215 3.474,1216 0.096,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.479,1223 1.437,1224 6.997,1225 2.329,1226 1.796,1227 1.74,1228 2.023,1229 1.965,1230 1.356,1231 1.985,1232 1.625,1233 1.573,1234 1.822,1235 1.822,1236 1.052,1237 1.823,1238 1.392,1239 1.339,1240 1.594,1241 1.616,1242 0.713,1243 1.607,1244 1.288,1245 1.22,1246 1.475,1247 1.525,1248 0.488,1249 1.513,1250 1.058,1251 0.997,1252 1.324,1253 1.345,1254 0.347,1255 1.341,1256 0.723,1257 0.657,1258 1.085,1259 1.055,1260 0.181,1261 1.069,1262 0.43,1263 0.326,1264 0.867,1265 0.797,1267 0.841,1268 0.166,1269 0.008,1270 0.738,1271 0.571,1273 0.644,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.344,1290 5.094,1300 18.16,1301 47.526,1302 103.996,1303 134.07,1304 143.58,1305 143.58,1306 143.58,1307 24.471,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3,1314 2.459,1315 31.761,1316 51,1317 38,1318 0.299,1319 118.764,1320 204.62,1321 281.545,1322 894,1324 10.933,1325 0.729,1326 0.578,1327 10.933,1328 8.672,1329 7.288,1330 0.486,1331 0.343,1332 5.066,1333 6.962,1334 4.982,1335 4.194,1336 7.288,1337 5.14,1338 5.889,1339 0.346,1340 0.199,1341 5.889,1342 3.39,1343 3.869,1344 0.228,1345 0.124,1346 3.869,1347 2.107,1348 2.815,1349 0.156,1350 0.074,1351 2.815,1352 1.336,1353 1.559,1354 0.111,1355 0.053,1356 1.559,1357 0.738,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 219.175,1365 71.953,1366 208.58,1367 265.92,1368 192,1369 66,1370 177.596,1371 72.682,1372 178.835,1373 248.42,1374 166,1375 7.796} {0 CHEMBL150206,1 1.449,2 19.146,3 5.59,4 31.253,5 158.207,6 6.826,7 0.386,8 4.47,9 4.588,10 3.948,11 3.992,12 5.514,13 3.955,14 5.037,15 5.216,16 4.259,17 4.382,18 6.073,19 4.306,20 5.336,21 5.576,22 4.282,23 4.516,24 6.245,25 4.402,26 5.366,27 5.607,28 4.269,29 4.514,30 6.301,31 4.395,32 5.354,33 5.602,34 4.215,35 4.521,36 6.226,37 4.389,38 5.348,39 5.603,40 4.181,41 4.489,42 6.264,43 4.349,44 5.29,45 5.556,46 4.137,47 4.407,48 6.171,49 4.275,50 5.203,51 5.452,52 4.154,53 4.333,54 6.147,55 4.229,56 0.045,57 1.118,58 18.443,59 8.161,60 13.255,61 10.842,62 0.397,63 1.806,64 34.412,65 13.585,66 57.454,67 18.713,68 0.521,69 2.228,70 48.277,71 17.748,72 75.216,73 24.981,74 0.737,75 2.253,76 50.301,77 17.782,78 87.273,79 25.148,80 0.491,81 2.251,82 49.209,83 18.106,84 71.209,85 25.66,86 0.549,87 2.245,88 49.009,89 17.612,90 84.576,91 25.448,92 0.474,93 2.119,94 46.471,95 16.048,96 68.403,97 23.585,98 0.494,99 1.939,100 42.651,101 14.538,102 60.539,103 21.028,104 23,105 57,106 0.22,107 0.546,108 0.745,109 0.843,110 0.874,111 0.874,112 3.741,113 1.009,114 -4.9,115 -4.81,116 -4.51,118 40.2,119 1,120 10,121 1,124 2,126 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 8,175 2,177 2,180 24,181 1,185 1,186 9,189 1,191 1,194 22,195 1,197 1,198 10,201 2,203 1,206 20,207 1,210 9,215 2,218 18,219 1,221 1,222 9,227 5,229 14,230 1,233 1,234 9,239 5,242 10,243 2,246 1,247 10,252 5,255 6,256 3,258 2,259 13,260 1,264 5,267 3,268 3,270 4180,271 28.001,272 28.001,273 28.001,274 28.001,275 28.001,276 25.538,277 16.898,278 17.297,279 28.311,280 21.758,281 21.758,282 21.758,283 21.758,284 21.758,285 18.02,286 15.104,287 8.27,288 22.211,289 4.908,290 2.761,291 1.447,292 0.803,293 0.595,294 0.595,295 4.436,300 1,301 1659,302 5,305 144.379,306 514.605,313 3.216,314 40.555,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 88.5,326 785,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 6.018,348 3.754,349 2.783,350 3.449,351 0.86,352 8.537,353 2.702,354 3.783,355 3.005,356 5.905,357 3.598,358 2.6,359 3.06,361 8.178,362 2.59,363 3.639,364 2.829,365 5.239,366 3.24,367 2.235,368 2.783,370 6.368,371 2.222,372 3.55,373 2.263,374 4.659,375 3.197,376 2.209,377 2.71,379 5.184,380 2.18,381 3.269,382 2.172,383 4.542,384 2.858,385 1.907,386 2.531,388 4.681,389 1.811,390 2.999,391 2.035,392 4.324,393 2.788,394 1.81,395 2.144,397 4.317,398 1.761,399 2.884,400 1.893,401 4.168,402 2.665,403 1.678,404 1.889,406 3.86,407 1.652,408 2.756,409 1.752,410 3.949,411 2.526,412 1.539,413 1.796,415 3.36,416 1.512,417 2.622,418 1.533,419 3.636,420 2.412,421 1.433,422 1.631,424 3.11,425 1.398,426 2.5,427 1.413,428 3.611,429 2.13,430 1.173,431 1.5,433 2.834,434 1.115,435 2.5,436 1.307,437 3.414,438 2.037,439 1.046,440 1.5,442 2.407,443 1.032,444 2.465,445 1.172,446 3.4,447 2,448 1,449 1.416,451 2.275,452 1,453 2.367,454 1,455 3.371,456 2,457 1,458 1.273,460 2.272,461 1,462 19.367,463 0.472,464 0.75,465 0.018,466 45.75,467 1.116,468 20.5,469 0.5,470 25.25,471 0.616,472 43.312,473 1.056,474 46.033,475 0.561,476 37.23,477 0.908,478 8.41,479 0.205,480 11.598,481 0.283,482 0.077,484 0.258,487 0.782,488 1.306,489 0.878,490 1.187,491 0.651,492 1.067,493 0.753,494 1.193,495 0.977,496 1.157,497 0.487,498 1.11,499 0.907,500 0.976,501 0.933,502 0.978,503 0.779,504 0.966,505 0.988,506 0.95,507 0.996,508 0.956,509 0.873,510 0.976,511 0.921,512 0.989,513 0.983,514 0.985,515 0.807,516 0.995,517 0.787,518 1.049,519 0.974,520 1.022,521 0.763,522 1.024,523 0.784,524 0.988,525 0.91,526 0.954,527 0.723,528 0.944,529 0.922,530 1.032,531 0.901,532 0.963,533 0.853,534 0.927,535 6,536 0.278,537 4.222,538 2,539 1.344,540 0.99,541 0.605,542 0.435,543 0.448,544 0.381,545 33611,546 79421,547 2.064,548 50,549 16,550 12,551 1,552 2,553 2,554 2,555 4,556 2,558 1.801,559 1.968,560 4.158,561 0.088,567 118.83,568 1.449,569 3.597,570 4.911,571 5.554,572 5.763,573 5.763,574 3.668,575 5.016,576 5.322,577 4.405,578 3611.91,579 9.379,580 71511.7,585 521.319,586 1.221,587 5.305,588 0.136,589 0.006,590 0.074,591 0.035,592 0.024,593 0.019,594 0.012,595 0.009,596 0.009,597 0.007,598 0.332,599 0.17,600 0.75,601 1.242,602 241.66,603 -0.03,604 -0.08,605 0.04,606 -0.022,607 -0.013,608 0.013,609 0.111,610 -0.074,611 -0.026,612 -0.08,613 0.164,614 -0.077,615 -0.009,616 0.022,617 0.039,618 0.032,619 0.02,620 0.039,621 0.018,622 0.041,623 -0.007,624 0.037,625 -0.012,626 0.013,627 -0.071,628 -0.003,629 -0.016,630 0.024,631 -0.064,632 0.013,633 0.014,634 -0.058,635 -0.009,636 -0.027,637 0.018,638 -0.023,639 0.007,640 0.01,641 0.06,642 0.017,643 0.005,644 0.045,645 0.032,646 -0.028,647 0.087,648 0.012,650 0.054,651 2.437,652 5.598,653 0.561,654 72.482,655 0.997,656 1.127,657 3.675,658 13.503,659 0.643,660 3.807,661 4.06,662 4.277,663 4.466,664 4.625,665 4.663,666 4.779,667 4.875,668 4.99,669 5.069,670 11.014,671 0.605,672 559.77,673 3.807,674 5.313,675 6.129,676 6.967,677 7.802,678 8.648,679 9.493,680 10.345,681 11.196,682 12.052,683 3.7,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 82,726 20,727 1,728 44,730 85,731 33,733 14,734 2,735 4,736 3,739 4,740 4,745 1,748 5,749 1,751 11,753 18,754 15,755 1,756 3,761 2,763 1,765 3,772 41,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,836 1,840 41,845 1,846 12,847 1,848 1,850 2,862 6.1,864 1,865 2,866 1,867 1,869 20.833,870 14.517,871 9.306,872 5.471,874 3.016,875 1.372,876 0.938,877 12.153,878 11.124,879 4.034,880 4.514,881 5.01,882 5.512,883 5.954,884 6.237,885 6.65,886 7.013,887 7.398,888 7.744,889 0.923,890 57,891 15.239,893 6.339,894 7.732,895 29.525,897 24.079,899 2.232,900 91.5,904 459.073,905 163.17,906 51.582,908 113.48,911 163.17,912 572.553,913 51.582,914 8.825,915 50.054,916 78.073,917 171.721,918 43.101,919 11.771,920 423.76,922 459.073,923 214.752,924 113.48,927 388.446,928 173.107,929 11,931 84.751,932 86.954,933 43.047,935 459.073,936 165.062,937 163.17,940 459.073,941 58.177,942 104.993,943 18.011,944 147.051,945 459.073,946 165.062,947 163.17,949 0.562,950 0.316,951 0.164,952 0.086,953 22,954 10,955 0.176,956 15,958 1,959 5.328,960 370.699,962 23,963 211.66,968 30.68,969 16.24,970 9.656,972 165.062,973 16.661,974 8.656,976 5.625,978 3.39,980 60.694,981 787.305,982 55.5,987 23.399,989 2.128,994 81.73,995 92.431,996 0.228,997 0.566,998 0.772,999 0.874,1000 0.906,1001 0.906,1002 5.243,1003 1.81,1004 6.066,1005 4.681,1006 4.745,1007 5.201,1008 2.586,1009 6.797,1010 4.708,1011 6.389,1012 1.678,1013 7.573,1014 4.317,1015 4.111,1016 4.758,1017 2.243,1018 7.573,1019 4.075,1020 7.651,1021 1.539,1022 9.186,1023 3.86,1024 6.252,1025 7.238,1026 3.72,1027 10.658,1028 6.186,1029 8.949,1030 1.433,1031 10.867,1032 3.36,1033 6.509,1034 7.697,1035 4.112,1036 12.335,1037 6.443,1038 10.285,1039 1.173,1040 12.594,1041 3.11,1042 8.048,1043 9.597,1044 5.221,1045 14.897,1046 7.958,1047 11.648,1048 1.046,1049 14.351,1050 2.834,1051 8.726,1052 10.484,1053 5.889,1054 16.92,1055 8.634,1056 13.03,1057 1,1058 16.13,1059 2.407,1060 10.007,1061 12.128,1062 6.852,1063 19.304,1064 9.896,1065 3.042,1066 1,1067 17.924,1068 2.275,1069 10.894,1070 13.239,1071 7.625,1072 21.472,1073 10.776,1074 2.941,1075 10.188,1076 19.73,1077 2.272,1078 12.061,1079 14.757,1080 8.526,1081 23.791,1082 11.929,1083 2.783,1084 9.413,1085 21.544,1086 4.063,1087 13.049,1088 15.989,1089 9.342,1090 26.024,1091 12.909,1092 2.6,1093 8.537,1094 23.364,1095 3.89,1096 14.167,1097 17.442,1098 10.216,1099 28.323,1100 14.015,1101 2.235,1102 8.178,1103 25.188,1104 3.449,1105 15.205,1106 18.742,1107 11.051,1108 30.587,1109 15.045,1110 2.209,1111 6.368,1112 27.017,1113 3.06,1114 16.303,1115 20.162,1116 11.912,1117 32.881,1118 16.133,1119 1.907,1120 5.184,1121 28.849,1122 2.783,1123 17.366,1124 21.499,1125 12.755,1126 35.162,1127 17.188,1128 32270,1129 49977,1130 29.701,1131 52.756,1132 64.763,1133 65.906,1134 65.222,1135 63.952,1136 63.953,1137 79.616,1138 8.518,1139 170.118,1140 62.697,1141 5.411,1142 5.596,1143 6.304,1144 5.1,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 18.818,1151 1.472,1152 1.498,1153 1.482,1154 1.453,1155 1.453,1156 1.809,1157 0.194,1158 3.866,1159 1.425,1160 4.048,1161 4.071,1162 4.004,1163 3.97,1164 7.474,1165 3.972,1166 3.903,1167 3.953,1168 3.849,1169 3.792,1170 7.429,1171 3.779,1172 3.89,1173 3.917,1174 3.771,1175 3.757,1176 6.351,1177 3.772,1178 3.743,1179 3.786,1180 3.677,1181 3.598,1182 5.149,1183 3.618,1184 3.724,1185 3.774,1186 3.599,1187 3.581,1188 4.916,1189 3.576,1190 3.626,1191 3.675,1192 3.49,1193 3.441,1194 4.662,1195 3.444,1196 3.462,1197 3.513,1198 3.357,1199 3.296,1200 4.61,1201 3.302,1202 3.429,1203 3.48,1204 3.277,1205 3.255,1206 4.231,1207 3.243,1208 0.1,1209 0.082,1210 0.148,1211 0.092,1212 0.069,1213 4.411,1214 0.092,1215 3.596,1216 0.053,1217 6.502,1218 0.232,1219 4.036,1220 0.069,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.117,1229 2.055,1230 1.516,1231 2.071,1232 1.899,1233 1.849,1234 2.079,1235 2.044,1236 1.327,1237 2.063,1238 1.798,1239 1.767,1240 1.955,1241 1.912,1242 1.19,1243 1.921,1244 1.717,1245 1.665,1246 1.902,1247 1.887,1248 1.163,1249 1.899,1250 1.662,1251 1.606,1252 1.897,1253 1.886,1254 1.012,1255 1.889,1256 1.486,1257 1.447,1258 1.747,1259 1.713,1260 0.963,1261 1.713,1262 1.432,1263 1.396,1264 1.644,1265 1.632,1266 0.835,1267 1.628,1268 1.394,1269 1.336,1270 1.55,1271 1.591,1272 0.825,1273 1.598,1274 4.489,1276 5.759,1277 2.398,1278 7.212,1279 4.595,1280 8.747,1281 6.605,1282 10.329,1284 2.166,1289 8.879,1290 10.743,1291 2.907,1292 6.012,1294 0.935,1300 49.647,1301 118.83,1302 294.954,1303 402.69,1304 455.445,1305 472.564,1306 472.564,1307 99.543,1308 8.108,1309 114.55,1310 114.55,1311 23,1312 12.607,1313 4.392,1314 3.644,1315 76.632,1316 270,1317 278,1318 0.133,1319 305.907,1320 545.23,1321 738.173,1322 46745,1324 28.865,1325 0.704,1326 0.583,1327 28.865,1328 23.888,1329 20.008,1330 0.455,1331 0.336,1332 14.634,1333 19.325,1334 14.344,1335 11.919,1336 20.008,1337 14.795,1338 17.093,1339 0.3,1340 0.188,1341 17.093,1342 10.698,1343 13.755,1344 0.194,1345 0.108,1346 13.755,1347 7.647,1348 10.854,1349 0.126,1350 0.061,1351 10.854,1352 5.268,1353 8.324,1354 0.082,1355 0.036,1356 8.324,1357 3.598,1358 0.22,1359 124.959,1360 0.183,1361 38.077,1362 0.335,1363 202,1364 584.715,1365 221.001,1366 555.496,1367 746,1368 520,1369 229,1370 531.832,1371 246.594,1372 534.422,1373 774.81,1374 504,1375 7.939} {0 CHEMBL150252,1 1.494,2 19.075,3 5.367,4 28.807,5 152.197,6 7.393,7 0.535,8 4.367,9 4.474,10 3.915,11 3.915,12 5.506,13 3.894,14 4.878,15 5.034,16 4.21,17 4.27,18 6.031,19 4.217,20 5.137,21 5.356,22 4.212,23 4.365,24 6.158,25 4.278,26 5.134,27 5.348,28 4.188,29 4.347,30 6.175,31 4.262,32 5.135,33 5.35,34 4.155,35 4.389,36 6.114,37 4.286,38 5.172,39 5.399,40 4.136,41 4.393,42 6.155,43 4.277,44 5.149,45 5.384,46 4.11,47 4.325,48 6.153,49 4.215,50 5.074,51 5.306,52 4.103,53 4.253,54 6.068,55 4.162,56 0.043,57 0.979,58 14.641,59 6.93,60 13.265,61 8.677,62 0.354,63 1.555,64 26.882,65 11.243,66 54.567,67 14.668,68 0.467,69 1.89,70 38.473,71 14.601,72 73.85,73 19.619,74 0.616,75 1.873,76 38.601,77 14.12,78 81.671,79 18.853,80 0.479,81 1.909,82 37.97,83 14.611,84 68.096,85 19.642,86 0.381,87 1.979,88 39.626,89 15.292,90 70.266,91 20.908,92 0.5,93 1.918,94 39.461,95 14.437,96 78.237,97 19.968,98 0.389,99 1.79,100 36.407,101 13.185,102 55.142,103 18.207,104 16,105 55,106 0.23,107 0.57,108 0.749,109 0.855,110 0.885,111 0.885,112 3.717,113 0.938,114 -4.78,115 -4.69,116 -4.4,118 43.8,120 6,124 2,133 1,134 1,140 11,141 3,142 1,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 20,169 1,171 1,172 8,175 2,177 2,180 21,181 1,185 1,186 10,189 1,191 2,194 19,195 1,197 1,198 9,201 1,203 1,206 18,207 1,210 9,213 1,215 2,218 19,219 1,222 10,227 3,229 15,230 1,233 1,234 10,239 5,242 10,243 2,246 1,247 8,252 5,255 7,256 3,258 3,259 10,260 1,264 5,267 5,268 3,270 3984,271 27.501,272 27.501,273 27.501,274 27.501,275 27.501,276 24.287,277 16.898,278 17.158,279 27.8,280 21.297,281 21.297,282 21.297,283 21.297,284 21.297,285 16.515,286 13.399,287 8.246,288 21.75,289 4.696,290 2.485,291 1.321,292 0.635,293 0.438,294 0.438,295 4.414,300 1,301 1616,302 4.796,305 140.061,306 500.377,313 3.225,314 39.107,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 86.5,326 763,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,351 0.86,352 8.178,353 2.59,354 3.896,355 2.87,356 5.34,357 3.467,358 2.522,359 3.444,361 6.965,362 2.382,363 3.639,364 2.829,365 5.239,366 3.24,367 2.235,368 3.06,370 6.368,371 2.222,372 3.55,373 2.263,374 4.659,375 3.197,376 2.209,377 2.71,379 5.184,380 2.18,381 3.269,382 2.037,383 4.542,384 2.834,385 1.859,386 2.531,388 4.678,389 1.809,390 3.002,391 1.944,392 4.17,393 2.729,394 1.744,395 2.146,397 3.879,398 1.713,399 2.956,400 1.89,401 3.963,402 2.607,403 1.621,404 2.117,406 3.567,407 1.593,408 2.757,409 1.681,410 3.757,411 2.467,412 1.495,413 1.799,415 3.197,416 1.446,417 2.717,418 1.533,419 3.634,420 2.408,421 1.424,422 1.733,424 3.093,425 1.396,426 2.5,427 1.341,428 3.551,429 2.114,430 1.147,431 1.5,433 2.797,434 1.105,435 2.5,436 1.307,437 3.414,438 2.008,439 1.02,440 1.5,442 2.342,443 1.003,444 2.5,445 1.172,446 3.391,447 2,448 1,449 1.5,451 2.275,452 1,453 2.489,454 1,455 3.271,456 2,457 1,458 1.452,460 2.136,461 1,462 18.867,463 0.472,464 0.661,465 0.017,466 51.75,467 1.294,468 27,469 0.675,470 24.75,471 0.619,472 34.315,473 0.858,474 42.933,475 0.588,476 42.564,477 1.064,478 10.337,479 0.258,480 9.26,481 0.232,482 0.053,484 0.239,487 0.789,488 1.214,489 0.802,490 1.087,491 0.66,492 0.968,493 0.748,494 1.164,495 0.949,496 1.124,497 0.516,498 1.079,499 0.927,500 0.957,501 0.925,502 0.955,503 0.857,504 0.945,505 1.056,506 0.962,507 1.024,508 0.945,509 0.995,510 0.973,511 0.936,512 0.984,513 1.061,514 0.998,515 0.904,516 1.042,517 0.831,518 1.092,519 1.036,520 1.085,521 0.869,522 1.093,523 0.839,524 1.062,525 0.995,526 1.026,527 0.881,528 1.031,529 0.875,530 1.061,531 0.938,532 1.018,533 0.757,534 0.987,535 5.5,536 0.258,537 3.556,538 1.625,539 1.224,540 0.872,541 0.605,542 0.404,543 0.399,544 0.366,545 31780,546 87239,547 2.08,548 45.2,549 6,550 16,551 1,552 2,553 2,554 2,555 4,558 1.795,559 2,560 4.148,561 0.099,567 109.028,568 1.494,569 3.705,570 4.869,571 5.555,572 5.751,573 5.751,574 3.671,575 4.972,576 5.283,577 4.394,578 3427.19,579 9.305,580 66738.2,585 451.857,586 1.125,587 5.277,588 0.128,589 0.006,590 0.065,591 0.03,592 0.024,593 0.017,594 0.012,595 0.009,596 0.008,597 0.007,598 0.306,599 0.17,600 0.75,601 1.212,602 234.236,603 -0.043,604 -0.078,605 0.034,606 -0.021,607 -0.036,608 0.013,609 0.11,610 -0.083,611 -0.047,612 -0.101,613 0.146,614 -0.102,615 -0.016,616 0.033,617 0.048,618 0.041,619 -0.007,620 0.051,621 -0.031,622 0.036,623 -0.039,624 0.039,625 -0.064,626 0.006,627 -0.087,628 0.022,629 -0.106,630 0.004,631 -0.117,632 -0.046,633 -0.063,634 -0.099,635 -0.081,636 -0.084,637 -0.063,638 -0.086,639 0.005,640 -0.068,641 -0.018,642 -0.044,643 -0.023,644 -0.035,645 -0.004,646 -0.053,647 0.042,648 -0.043,649 -0.015,650 0.001,651 2.441,652 5.517,653 0.575,654 71.76,655 1.003,656 1.12,657 3.547,658 12.581,659 0.667,660 3.784,661 4.025,662 4.234,663 4.431,664 4.595,665 4.635,666 4.754,667 4.86,668 4.977,669 5.056,670 10.903,671 0.638,672 539.68,673 3.784,674 5.283,675 6.094,676 6.927,677 7.757,678 8.6,679 9.441,680 10.291,681 11.14,682 11.995,683 4.1,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,722 1,724 73,726 26,727 2,728 43,730 76,731 32,733 20,734 3,735 9,736 3,739 4,740 4,751 6,753 24,754 8,756 3,761 2,763 1,765 3,772 33,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 40,845 1,846 8,847 1,848 1,862 6.8,864 1,865 2,867 2,869 20,870 12.767,871 9.111,872 4.54,874 3.781,875 1.469,876 0.954,877 11.228,878 11.849,879 4.069,880 4.582,881 5.104,882 5.625,883 6.083,884 6.288,885 6.684,886 7.036,887 7.415,888 7.758,889 0.923,890 54,891 14.783,893 6.116,894 7.813,895 28.13,897 22.348,899 2.313,900 92.5,904 364.904,905 196.832,906 51.582,908 113.48,911 196.832,912 478.385,913 51.582,915 39.916,916 125.454,917 160.721,918 59.345,919 11.771,920 329.591,922 364.904,923 248.413,924 113.48,927 317.82,928 160.565,931 65.788,932 139.578,933 43.047,935 364.904,936 165.062,937 196.832,940 364.904,941 53.282,942 143.549,943 18.011,944 147.051,945 364.904,946 165.062,947 196.832,949 0.557,950 0.309,951 0.163,952 0.086,953 21,954 9,955 0.197,956 15,958 1,959 5.305,960 356.36,962 23,963 204.877,968 28.943,969 15.517,970 9.285,972 165.062,973 26.22,974 8.62,976 5.597,978 4.177,980 60.694,981 726.798,982 57.5,987 23.304,989 2.12,991 -0.027,994 73.196,995 81.77,996 0.241,997 0.599,998 0.787,999 0.897,1000 0.929,1001 0.929,1002 5.256,1003 1.744,1004 6.019,1005 4.678,1006 4.71,1007 5.27,1008 2.586,1009 6.732,1010 4.671,1011 6.416,1012 1.621,1013 7.51,1014 3.879,1015 4.007,1016 4.771,1017 2.243,1018 7.466,1019 3.967,1020 7.679,1021 1.495,1022 9.108,1023 3.567,1024 6.196,1025 7.353,1026 3.72,1027 10.559,1028 6.127,1029 8.979,1030 1.424,1031 10.775,1032 3.197,1033 6.399,1034 7.746,1035 4.112,1036 12.22,1037 6.329,1038 10.316,1039 1.147,1040 12.49,1041 3.093,1042 7.969,1043 9.723,1044 5.221,1045 14.785,1046 7.875,1047 11.679,1048 1.02,1049 14.237,1050 2.797,1051 8.611,1052 10.549,1053 5.889,1054 16.81,1055 8.516,1056 13.061,1057 1,1058 16.009,1059 2.342,1060 9.909,1061 12.245,1062 6.852,1063 19.199,1064 9.797,1065 3.042,1066 1,1067 17.798,1068 2.275,1069 10.775,1070 13.306,1071 7.625,1072 21.375,1073 10.661,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.951,1079 14.856,1080 8.526,1081 23.702,1082 11.824,1083 2.6,1084 9.413,1085 21.411,1086 4.063,1087 12.93,1088 16.05,1089 9.342,1090 25.944,1091 12.799,1092 2.522,1093 8.178,1094 23.23,1095 3.89,1096 14.054,1097 17.522,1098 10.216,1099 28.251,1100 13.913,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.794,1107 11.051,1108 30.523,1109 14.943,1110 2.209,1111 6.368,1112 26.885,1113 3.444,1114 16.192,1115 20.224,1116 11.912,1117 32.825,1118 16.038,1119 1.859,1120 5.184,1121 28.719,1122 3.06,1123 17.257,1124 21.542,1125 12.755,1126 35.113,1127 17.097,1128 30437,1129 50611,1130 29.296,1131 48.711,1132 62.798,1133 64.042,1134 62.983,1135 62.046,1136 62.068,1137 81.895,1138 8.518,1139 162.869,1140 60.823,1141 5.354,1142 5.596,1143 6.328,1144 5.091,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 16.07,1151 1.46,1152 1.489,1153 1.465,1154 1.443,1155 1.443,1156 1.905,1157 0.198,1158 3.788,1159 1.414,1160 4.046,1161 4.068,1162 4.004,1163 3.97,1164 7.474,1165 3.971,1166 3.895,1167 3.923,1168 3.849,1169 3.814,1170 7.429,1171 3.812,1172 3.889,1173 3.915,1174 3.823,1175 3.757,1176 6.351,1177 3.772,1178 3.747,1179 3.791,1180 3.679,1181 3.604,1182 5.149,1183 3.622,1184 3.726,1185 3.776,1186 3.6,1187 3.586,1188 4.918,1189 3.578,1190 3.644,1191 3.692,1192 3.507,1193 3.488,1194 4.859,1195 3.485,1196 3.456,1197 3.49,1198 3.355,1199 3.295,1200 4.661,1201 3.301,1202 3.323,1203 3.378,1204 3.216,1205 3.059,1206 4.362,1207 3.085,1208 0.103,1209 0.084,1210 0.151,1211 0.094,1212 0.071,1213 4.411,1214 0.094,1215 3.596,1216 0.054,1217 6.502,1218 0.237,1219 4.036,1220 0.07,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.875,1233 1.85,1234 2.009,1235 1.986,1236 1.274,1237 1.994,1238 1.798,1239 1.767,1240 1.955,1241 1.912,1242 1.163,1243 1.921,1244 1.717,1245 1.665,1246 1.934,1247 1.891,1248 1.039,1249 1.904,1250 1.697,1251 1.637,1252 1.901,1253 1.886,1254 0.963,1255 1.898,1256 1.482,1257 1.453,1258 1.644,1259 1.695,1260 0.835,1261 1.674,1262 1.431,1263 1.395,1264 1.613,1265 1.632,1266 0.776,1267 1.628,1268 1.188,1269 1.167,1270 1.442,1271 1.47,1272 0.522,1273 1.447,1274 4.466,1276 5.727,1277 2.398,1278 7.169,1279 4.595,1280 8.696,1281 6.605,1282 10.27,1289 8.867,1290 5.077,1291 2.876,1292 5.669,1300 46.54,1301 109.028,1302 270.445,1303 355.439,1304 405.493,1305 419.857,1306 419.857,1307 88.18,1308 8.068,1309 114.55,1310 114.55,1311 23,1312 12.551,1313 4.755,1314 3.954,1315 73.707,1316 259,1317 284,1318 0.133,1319 287.532,1320 509.11,1321 693.339,1322 44708,1324 27.995,1325 0.7,1326 0.557,1327 27.995,1328 22.292,1329 19.597,1330 0.456,1331 0.313,1332 13.288,1333 18.919,1334 13.059,1335 10.862,1336 19.597,1337 13.447,1338 16.575,1339 0.301,1340 0.168,1341 16.575,1342 9.239,1343 13.228,1344 0.195,1345 0.091,1346 13.228,1347 6.214,1348 10.535,1349 0.127,1350 0.05,1351 10.535,1352 4.121,1353 8.135,1354 0.083,1355 0.027,1356 8.135,1357 2.694,1358 0.221,1359 122.495,1360 0.185,1361 37.413,1362 0.335,1363 196,1364 610.715,1365 215.001,1366 583.606,1367 785.21,1368 546,1369 221,1370 562.741,1371 238.594,1372 566.509,1373 818.19,1374 534,1375 7.311} {0 CHEMBL150289,1 1.49,2 17.553,3 4.82,4 23.232,5 144.192,6 7.092,7 0.415,8 4.365,9 4.478,10 3.878,11 3.89,12 5.443,13 3.863,14 4.921,15 5.089,16 4.187,17 4.271,18 6.005,19 4.209,20 5.207,21 5.441,22 4.193,23 4.385,24 6.166,25 4.283,26 5.19,27 5.42,28 4.162,29 4.356,30 6.175,31 4.255,32 5.154,33 5.383,34 4.129,35 4.363,36 6.119,37 4.253,38 5.171,39 5.414,40 4.106,41 4.348,42 6.118,43 4.23,44 5.133,45 5.378,46 4.086,47 4.275,48 6.105,49 4.172,50 5.029,51 5.251,52 4.094,53 4.222,54 6.061,55 4.143,56 0.034,57 1.001,58 15.749,59 7.127,60 11.723,61 9.237,62 0.372,63 1.611,64 29.703,65 11.821,66 54.279,67 15.949,68 0.562,69 1.958,70 42.442,71 15.41,72 75.668,73 21.383,74 0.629,75 1.91,76 41.924,77 14.853,78 80.39,79 20.608,80 0.51,81 1.902,82 39.798,83 14.61,84 71.39,85 20.446,86 0.412,87 1.944,88 40.548,89 14.561,90 65.556,91 20.874,92 0.515,93 1.826,94 39.672,95 13.611,96 66.335,97 19.433,98 0.329,99 1.679,100 35,101 12.34,102 55.918,103 17.21,104 16,105 53,106 0.231,107 0.566,108 0.74,109 0.834,110 0.87,111 0.87,112 3.667,113 0.979,114 -4.34,115 -4.28,116 -4.03,118 41.1,120 9,124 2,126 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 19,169 1,171 1,172 7,175 2,177 1,180 21,181 1,185 1,186 9,189 2,191 1,194 19,195 1,197 1,198 8,201 1,203 1,206 16,207 1,209 1,210 7,215 4,218 15,219 1,221 1,222 8,227 5,229 12,230 1,233 1,234 11,239 4,242 8,243 2,247 13,252 3,255 4,256 3,258 2,259 15,260 1,264 4,267 1,268 3,270 3314,271 26.087,272 26.087,273 26.087,274 26.087,275 26.087,276 23.624,277 15.129,278 16.158,279 26.389,280 20.297,281 20.297,282 20.297,283 20.297,284 20.297,285 16.559,286 12.105,287 7.746,288 20.757,289 4.7,290 2.537,291 1.413,292 0.81,293 0.575,294 0.575,295 4.364,300 1,301 1415,302 4.583,305 130.525,306 465.52,313 2.892,314 39.35,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 82.5,326 667,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.563,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.602,350 3.449,351 0.86,352 8.178,353 2.589,354 3.64,355 2.871,356 5.34,357 3.466,358 2.519,359 3.06,361 6.965,362 2.381,363 3.55,364 2.828,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.521,373 2.263,374 4.659,375 3.196,376 2.208,377 2.54,379 5.184,380 2.18,381 3.267,382 2.037,383 4.542,384 2.805,385 1.828,386 2.512,388 4.674,389 1.784,390 2.994,391 1.92,392 4.169,393 2.664,394 1.686,395 2.141,397 3.863,398 1.645,399 2.757,400 1.883,401 3.949,402 2.539,403 1.568,404 1.797,406 3.392,407 1.509,408 2.644,409 1.534,410 3.675,411 2.436,412 1.462,413 1.652,415 3.138,416 1.421,417 2.5,418 1.517,419 3.633,420 2.267,421 1.293,422 1.5,424 3.011,425 1.253,426 2.5,427 1.307,428 3.414,429 2.045,430 1.052,431 1.5,433 2.415,434 1.04,435 2.496,436 1.173,437 3.398,438 2,439 1,440 1.474,442 2.275,443 1,444 2.389,445 1,446 3.351,447 2,448 1,449 1.316,451 2.244,452 1,453 2.259,454 1,455 3.257,456 1.956,457 1,458 1.166,460 2.136,461 0.953,462 17.867,463 0.47,464 0.661,465 0.017,466 44.25,467 1.164,468 20.5,469 0.539,470 23.75,471 0.625,472 36.442,473 0.959,474 42.133,475 0.577,476 35.967,477 0.946,478 8.397,479 0.221,480 10.2,481 0.268,482 0.056,484 0.252,487 0.785,488 1.287,489 0.837,490 1.157,491 0.645,492 1.028,493 0.767,494 1.19,495 0.969,496 1.152,497 0.499,498 1.104,499 0.909,500 0.929,501 0.928,502 0.945,503 0.8,504 0.945,505 1,506 0.959,507 0.978,508 0.942,509 0.919,510 0.957,511 0.857,512 1.019,513 0.992,514 0.993,515 0.816,516 1.012,517 0.754,518 1.057,519 0.966,520 1.033,521 0.705,522 1.029,523 0.887,524 0.984,525 0.929,526 0.938,527 0.9,528 0.933,529 1.014,530 1.085,531 0.947,532 1.022,533 1.155,534 0.974,535 5.5,536 0.269,537 3.556,538 1.625,539 1.224,540 0.816,541 0.605,542 0.497,543 0.389,544 0.305,545 26614,546 67350,547 2.084,548 47.9,549 12,550 12,551 1,552 2,553 2,554 2,555 4,558 1.784,559 2,560 4.038,561 0.123,567 108.761,568 1.49,569 3.653,570 4.776,571 5.38,572 5.614,573 5.614,574 3.55,575 4.682,576 5.21,577 4.269,578 3001.21,579 9.166,580 54895.4,585 451.857,586 1.156,587 5.202,588 0.134,589 0.006,590 0.067,591 0.031,592 0.024,593 0.017,594 0.013,595 0.011,596 0.008,597 0.006,598 0.318,599 0.17,600 0.75,601 1.256,602 217.64,603 -0.04,604 -0.086,605 0.039,606 -0.024,607 -0.017,608 0.014,609 0.1,610 -0.082,611 -0.041,612 -0.093,613 0.151,614 -0.093,615 0.008,616 0.059,617 0.047,618 0.056,619 0.014,620 0.054,621 -0.008,622 0.026,623 0.007,624 0.052,625 -0.027,626 0.033,627 -0.02,628 -0.009,629 -0.034,630 0.017,631 -0.042,632 -0.007,633 -0.01,634 -0.04,635 -0.011,636 -0.041,637 -0.006,638 -0.027,639 0.005,640 0.015,641 0.051,642 0.037,643 -0.031,644 0.053,645 -0.069,646 -0.058,647 0.028,648 -0.029,649 -0.098,650 0.012,651 2.437,652 5.49,653 0.605,654 62.454,655 1.001,656 1.126,657 3.111,658 9.679,659 0.65,660 3.738,661 3.989,662 4.205,663 4.407,664 4.575,665 4.615,666 4.745,667 4.86,668 4.977,669 5.063,670 10.048,671 0.617,672 517.68,673 3.738,674 5.242,675 6.057,676 6.895,677 7.729,678 8.576,679 9.42,680 10.273,681 11.125,682 11.983,683 4.1,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 73,726 20,727 1,728 41,730 76,731 30,733 14,734 2,735 4,736 3,739 4,740 4,748 6,751 10,753 18,754 12,756 3,761 2,763 1,765 3,772 35,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,840 38,845 1,846 11,847 1,848 1,850 1,862 6.8,864 1,865 2,866 1,867 1,869 19,870 12.683,871 8.611,872 4.776,874 3.022,875 1.379,876 0.947,877 10.67,878 11.006,879 3.98,880 4.469,881 4.976,882 5.491,883 5.941,884 6.228,885 6.647,886 7.012,887 7.398,888 7.746,889 0.917,890 52,891 14.105,893 5.895,894 7.781,895 27.136,897 22.049,899 2.281,900 86.667,904 388.446,905 151.811,906 51.582,908 113.48,911 151.811,912 501.927,913 51.582,915 47.52,916 78.073,917 171.721,918 43.101,919 11.771,920 353.133,922 388.446,923 203.392,924 113.48,927 341.362,928 149.565,929 11,931 73.391,932 86.954,933 43.047,935 388.446,936 165.062,937 151.811,940 388.446,941 55.642,942 96.168,943 18.011,944 147.051,945 388.446,946 165.062,947 151.811,949 0.56,950 0.312,951 0.164,952 0.087,953 21,954 9,955 0.171,956 13,958 1,959 5.081,960 338.153,962 23,963 191.421,968 27.754,969 14.609,970 8.637,972 165.062,973 16.611,974 8.618,976 5.594,978 3.365,980 60.694,981 705.319,982 52.5,987 23.267,989 2.124,991 -0.024,994 73.08,995 82.185,996 0.241,997 0.59,998 0.772,999 0.869,1000 0.907,1001 0.907,1002 5.183,1003 1.686,1004 5.989,1005 4.674,1006 4.673,1007 5.156,1008 2.586,1009 6.713,1010 4.633,1011 6.332,1012 1.568,1013 7.488,1014 3.863,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.967,1020 7.594,1021 1.462,1022 9.093,1023 3.392,1024 6.172,1025 7.209,1026 3.72,1027 10.554,1028 6.1,1029 8.894,1030 1.293,1031 10.765,1032 3.138,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.329,1038 10.231,1039 1.052,1040 12.483,1041 3.011,1042 7.955,1043 9.578,1044 5.221,1045 14.784,1046 7.86,1047 11.595,1048 1,1049 14.233,1050 2.415,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.516,1056 12.979,1057 1,1058 16.006,1059 2.275,1060 9.902,1061 12.116,1062 6.852,1063 19.199,1064 9.79,1065 3.042,1066 1,1067 17.796,1068 2.244,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.661,1074 2.941,1075 10.188,1076 19.598,1077 2.136,1078 11.948,1079 14.749,1080 8.526,1081 23.702,1082 11.821,1083 2.602,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.799,1092 2.519,1093 8.178,1094 23.229,1095 3.89,1096 14.052,1097 17.438,1098 10.216,1099 28.251,1100 13.911,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.943,1110 2.208,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.037,1119 1.828,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.097,1128 25485,1129 40775,1130 27.909,1131 47.472,1132 60.232,1133 61.488,1134 60.457,1135 59.499,1136 59.532,1137 75.194,1138 8.518,1139 157.801,1140 58.285,1141 5.411,1142 5.596,1143 6.304,1144 5.105,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.489,1151 1.469,1152 1.5,1153 1.475,1154 1.451,1155 1.452,1156 1.834,1157 0.208,1158 3.849,1159 1.422,1160 4.045,1161 4.068,1162 4.003,1163 3.969,1164 7.474,1165 3.97,1166 3.89,1167 3.922,1168 3.849,1169 3.757,1170 7.429,1171 3.772,1172 3.867,1173 3.912,1174 3.733,1175 3.74,1176 6.351,1177 3.729,1178 3.737,1179 3.78,1180 3.671,1181 3.595,1182 5.149,1183 3.612,1184 3.721,1185 3.763,1186 3.597,1187 3.574,1188 4.916,1189 3.574,1190 3.536,1191 3.594,1192 3.416,1193 3.324,1194 4.661,1195 3.334,1196 3.447,1197 3.482,1198 3.337,1199 3.271,1200 4.603,1201 3.278,1202 3.199,1203 3.238,1204 3.099,1205 2.988,1206 4.23,1207 3.003,1208 0.108,1209 0.088,1210 0.159,1211 0.098,1212 0.074,1213 4.411,1214 0.099,1215 3.596,1216 0.057,1217 6.502,1218 0.248,1219 4.036,1220 0.074,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.085,1229 2.055,1230 1.465,1231 2.063,1232 1.859,1233 1.807,1234 2.079,1235 2.021,1236 1.327,1237 2.043,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.163,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 1.032,1249 1.899,1250 1.594,1251 1.549,1252 1.795,1253 1.84,1254 0.963,1255 1.825,1256 1.432,1257 1.396,1258 1.644,1259 1.632,1260 0.835,1261 1.628,1262 1.366,1263 1.325,1264 1.52,1265 1.591,1266 0.825,1267 1.572,1268 1.184,1269 1.164,1270 1.513,1271 1.448,1272 0.767,1273 1.429,1274 4.419,1276 5.687,1277 2.398,1278 7.138,1279 4.595,1280 8.672,1281 6.605,1282 10.253,1289 8.86,1290 9.231,1291 2.848,1292 5.862,1294 0.313,1300 45.067,1301 108.761,1302 266.68,1303 348.68,1304 392.738,1305 409.857,1306 409.857,1307 85.596,1308 7.983,1309 114.55,1310 114.55,1311 23,1312 12.537,1313 4.392,1314 3.644,1315 67.897,1316 228,1317 242,1318 0.141,1319 277.13,1320 493.33,1321 667.957,1322 38427,1324 26.581,1325 0.699,1326 0.569,1327 26.581,1328 21.604,1329 18.597,1330 0.454,1331 0.326,1332 13.223,1333 17.92,1334 13.015,1335 10.78,1336 18.597,1337 13.384,1338 15.868,1339 0.299,1340 0.179,1341 15.868,1342 9.501,1343 12.728,1344 0.193,1345 0.101,1346 12.728,1347 6.639,1348 10.181,1349 0.126,1350 0.057,1351 10.181,1352 4.607,1353 7.889,1354 0.082,1355 0.033,1356 7.889,1357 3.13,1358 0.231,1359 116.495,1360 0.189,1361 35.648,1362 0.36,1363 188,1364 570.715,1365 207.001,1366 540.608,1367 724.86,1368 506,1369 213,1370 515.832,1371 230.649,1372 517.336,1373 750.63,1374 488,1375 7.481} {0 CHEMBL150436,1 1.48,2 19.854,3 5.823,4 33.912,5 156.798,6 7.286,7 0.523,8 4.403,9 4.512,10 3.938,11 3.949,12 5.527,13 3.925,14 4.921,15 5.081,16 4.23,17 4.306,18 6.053,19 4.248,20 5.184,21 5.41,22 4.232,23 4.403,24 6.184,25 4.31,26 5.182,27 5.402,28 4.209,29 4.387,30 6.201,31 4.294,32 5.182,33 5.403,34 4.175,35 4.425,36 6.136,37 4.317,38 5.222,39 5.455,40 4.159,41 4.427,42 6.192,43 4.307,44 5.184,45 5.422,46 4.122,47 4.366,48 6.145,49 4.252,50 5.123,51 5.351,52 4.13,53 4.304,54 6.133,55 4.206,56 0.034,57 1.019,58 15.571,59 7.281,60 12.892,61 9.229,62 0.345,63 1.622,64 28.553,65 11.85,66 54.701,67 15.638,68 0.457,69 1.975,70 40.686,71 15.387,72 74.147,73 20.901,74 0.607,75 1.957,76 40.838,77 14.903,78 81.867,79 20.156,80 0.418,81 1.996,82 40.17,83 15.372,84 67.338,85 20.889,86 0.459,87 2.067,88 42.245,89 15.907,90 74.365,91 21.974,92 0.395,93 1.98,94 40.945,95 15.132,96 69.698,97 20.959,98 0.44,99 1.863,100 38.342,101 13.993,102 66.998,103 19.306,104 16,105 56,106 0.226,107 0.56,108 0.742,109 0.857,110 0.886,111 0.886,112 3.741,113 0.951,114 -4.96,115 -4.87,116 -4.56,118 43.4,120 7,124 2,133 1,134 1,140 11,141 3,142 1,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 8,175 2,177 2,180 22,181 1,185 1,186 10,189 1,191 2,194 19,195 1,197 1,198 10,201 1,203 2,206 18,207 1,210 9,215 2,218 19,219 1,222 11,225 1,227 3,229 17,230 1,234 11,239 3,242 12,243 2,246 1,247 9,252 5,255 8,256 3,258 3,259 8,260 1,264 6,267 6,268 3,270 4330,271 28.208,272 28.208,273 28.208,274 28.208,275 28.208,276 24.994,277 16.898,278 17.658,279 28.507,280 21.797,281 21.797,282 21.797,283 21.797,284 21.797,285 17.015,286 13.399,287 8.496,288 22.25,289 4.768,290 2.58,291 1.39,292 0.636,293 0.447,294 0.447,295 4.438,300 1,301 1723,302 4.899,305 144.826,306 517.72,313 3.384,314 39.337,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 88.5,326 814,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,351 0.86,352 8.178,353 2.59,354 3.896,355 2.87,356 5.34,357 3.467,358 2.522,359 3.444,361 6.965,362 2.382,363 3.639,364 2.829,365 5.239,366 3.24,367 2.235,368 3.06,370 6.368,371 2.222,372 3.55,373 2.263,374 4.659,375 3.197,376 2.209,377 2.71,379 5.184,380 2.18,381 3.269,382 2.037,383 4.542,384 2.854,385 1.877,386 2.531,388 4.678,389 1.832,390 3.002,391 1.952,392 4.171,393 2.756,394 1.768,395 2.145,397 3.886,398 1.744,399 2.961,400 1.891,401 3.967,402 2.626,403 1.639,404 2.119,406 3.639,407 1.612,408 2.774,409 1.739,410 3.796,411 2.492,412 1.521,413 1.807,415 3.242,416 1.467,417 2.756,418 1.533,419 3.634,420 2.425,421 1.446,422 1.782,424 3.111,425 1.411,426 2.51,427 1.422,428 3.597,429 2.21,430 1.238,431 1.5,433 2.909,434 1.199,435 2.5,436 1.307,437 3.414,438 2.043,439 1.05,440 1.5,442 2.375,443 1.038,444 2.5,445 1.173,446 3.392,447 2,448 1,449 1.5,451 2.275,452 1,453 2.5,454 1,455 3.289,456 2,457 1,458 1.492,460 2.199,461 1,462 19.367,463 0.472,464 0.661,465 0.016,466 52.25,467 1.274,468 27,469 0.659,470 25.25,471 0.616,472 36.216,473 0.883,474 44.233,475 0.582,476 42.905,477 1.046,478 10.337,479 0.252,480 9.76,481 0.238,482 0.052,484 0.232,487 0.787,488 1.222,489 0.816,490 1.099,491 0.657,492 0.983,493 0.742,494 1.174,495 0.959,496 1.137,497 0.511,498 1.091,499 0.912,500 0.956,501 0.918,502 0.954,503 0.841,504 0.942,505 1.038,506 0.961,507 1.012,508 0.945,509 0.976,510 0.969,511 0.951,512 1.011,513 1.049,514 1.007,515 0.895,516 1.038,517 0.855,518 1.03,519 1.038,520 1.035,521 0.868,522 1.06,523 0.9,524 1.048,525 1.006,526 1.026,527 0.926,528 1.028,529 0.895,530 1.099,531 0.975,532 1.048,533 0.87,534 1.025,535 5.5,536 0.295,537 3.556,538 1.625,539 1.224,540 0.872,541 0.605,542 0.435,543 0.374,544 0.326,545 34619,546 93088,547 2.078,548 46.1,549 8,550 16,551 1,552 2,553 2,554 2,555 4,558 1.801,559 2,560 4.2,561 0.088,567 112.488,568 1.48,569 3.668,570 4.858,571 5.612,572 5.801,573 5.801,574 3.735,575 4.967,576 5.319,577 4.453,578 3651.77,579 9.373,580 73321.3,585 474.842,586 1.11,587 5.314,588 0.125,589 0.006,590 0.063,591 0.03,592 0.023,593 0.017,594 0.012,595 0.009,596 0.008,597 0.007,598 0.3,599 0.17,600 0.75,601 1.191,602 242.638,603 -0.04,604 -0.076,605 0.035,606 -0.021,607 -0.03,608 0.013,609 0.113,610 -0.089,611 -0.048,612 -0.106,613 0.15,614 -0.106,615 -0.008,616 0.033,617 0.056,618 0.043,619 0.002,620 0.055,621 -0.021,622 0.036,623 -0.025,624 0.041,625 -0.052,626 0.012,627 -0.108,628 -0.007,629 -0.09,630 -0.005,631 -0.113,632 -0.038,633 -0.048,634 -0.032,635 -0.074,636 -0.041,637 -0.058,638 -0.059,639 -0.065,640 -0.055,641 -0.032,642 -0.039,643 -0.07,644 -0.031,645 0.017,646 -0.098,647 0.004,648 -0.066,649 -0.017,650 -0.037,651 2.44,652 5.543,653 0.561,654 76.587,655 1.001,656 1.121,657 3.732,658 13.931,659 0.664,660 3.807,661 4.043,662 4.248,663 4.443,664 4.605,665 4.644,666 4.762,667 4.868,668 4.977,669 5.056,670 11.34,671 0.632,672 553.71,673 3.807,674 5.303,675 6.111,676 6.942,677 7.77,678 8.611,679 9.451,680 10.299,681 11.147,682 12.002,683 3.9,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,722 1,724 76,726 26,727 2,728 44,730 79,731 33,733 20,734 3,735 9,736 3,739 4,740 4,751 7,753 24,754 9,756 3,761 2,763 1,765 3,772 35,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 41,845 1,846 9,847 1,848 1,862 6.6,864 1,865 2,867 2,869 20.5,870 13.267,871 9.361,872 4.79,874 3.759,875 1.464,876 0.952,877 11.873,878 11.867,879 4.086,880 4.593,881 5.11,882 5.628,883 6.085,884 6.29,885 6.685,886 7.037,887 7.413,888 7.755,889 1,890 55,891 15.162,893 6.259,894 7.793,895 28.947,897 23.015,899 2.293,900 94,904 388.446,905 199.366,906 51.582,908 113.48,911 199.366,912 501.927,913 51.582,915 42.451,916 125.454,917 160.721,918 59.345,919 11.771,920 353.133,922 388.446,923 250.948,924 113.48,927 341.362,928 160.565,931 68.322,932 139.578,933 43.047,935 388.446,936 165.062,937 199.366,940 388.446,941 55.817,942 143.549,943 18.011,944 147.051,945 388.446,946 165.062,947 199.366,949 0.556,950 0.308,951 0.162,952 0.085,953 21,954 9,955 0.203,956 16,958 1,959 5.416,960 365.495,962 23,963 211.66,968 29.919,969 16.27,970 9.821,972 165.062,973 26.336,974 8.635,976 5.608,978 4.232,980 60.694,981 752.875,982 58.5,987 23.337,989 2.123,991 -0.008,994 76.08,995 85.185,996 0.237,997 0.587,998 0.778,999 0.898,1000 0.928,1001 0.928,1002 5.272,1003 1.768,1004 6.033,1005 4.678,1006 4.727,1007 5.281,1008 2.586,1009 6.742,1010 4.69,1011 6.427,1012 1.639,1013 7.521,1014 3.886,1015 4.007,1016 4.771,1017 2.243,1018 7.466,1019 3.967,1020 7.687,1021 1.521,1022 9.116,1023 3.639,1024 6.209,1025 7.357,1026 3.72,1027 10.561,1028 6.14,1029 8.986,1030 1.446,1031 10.781,1032 3.242,1033 6.399,1034 7.746,1035 4.112,1036 12.22,1037 6.329,1038 10.321,1039 1.238,1040 12.493,1041 3.111,1042 7.976,1043 9.725,1044 5.221,1045 14.786,1046 7.883,1047 11.682,1048 1.05,1049 14.24,1050 2.909,1051 8.611,1052 10.549,1053 5.889,1054 16.81,1055 8.516,1056 13.063,1057 1,1058 16.01,1059 2.375,1060 9.913,1061 12.246,1062 6.852,1063 19.199,1064 9.801,1065 3.042,1066 1,1067 17.799,1068 2.275,1069 10.775,1070 13.306,1071 7.625,1072 21.375,1073 10.661,1074 2.941,1075 10.188,1076 19.6,1077 2.199,1078 11.953,1079 14.856,1080 8.526,1081 23.702,1082 11.826,1083 2.6,1084 9.413,1085 21.411,1086 4.063,1087 12.93,1088 16.05,1089 9.342,1090 25.944,1091 12.799,1092 2.522,1093 8.178,1094 23.23,1095 3.89,1096 14.055,1097 17.522,1098 10.216,1099 28.251,1100 13.914,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.794,1107 11.051,1108 30.523,1109 14.943,1110 2.209,1111 6.368,1112 26.885,1113 3.444,1114 16.193,1115 20.224,1116 11.912,1117 32.825,1118 16.038,1119 1.877,1120 5.184,1121 28.719,1122 3.06,1123 17.257,1124 21.542,1125 12.755,1126 35.113,1127 17.097,1128 33160,1129 54572,1130 29.989,1131 50.472,1132 64.156,1133 65.235,1134 64.306,1135 63.296,1136 63.288,1137 83.108,1138 8.518,1139 165.298,1140 62.044,1141 5.362,1142 5.596,1143 6.366,1144 5.086,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 16.358,1151 1.458,1152 1.483,1153 1.461,1154 1.439,1155 1.438,1156 1.889,1157 0.194,1158 3.757,1159 1.41,1160 4.046,1161 4.069,1162 4.004,1163 3.97,1164 7.474,1165 3.971,1166 3.896,1167 3.923,1168 3.849,1169 3.815,1170 7.429,1171 3.812,1172 3.89,1173 3.916,1174 3.823,1175 3.757,1176 6.351,1177 3.772,1178 3.755,1179 3.804,1180 3.681,1181 3.617,1182 5.149,1183 3.628,1184 3.727,1185 3.777,1186 3.601,1187 3.589,1188 4.918,1189 3.581,1190 3.673,1191 3.717,1192 3.538,1193 3.526,1194 4.859,1195 3.527,1196 3.462,1197 3.502,1198 3.362,1199 3.298,1200 4.661,1201 3.304,1202 3.399,1203 3.457,1204 3.271,1205 3.171,1206 4.361,1207 3.18,1208 0.1,1209 0.082,1210 0.148,1211 0.092,1212 0.069,1213 4.411,1214 0.092,1215 3.596,1216 0.053,1217 6.502,1218 0.232,1219 4.036,1220 0.069,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.876,1233 1.85,1234 2.016,1235 1.988,1236 1.327,1237 1.997,1238 1.798,1239 1.767,1240 1.967,1241 1.916,1242 1.163,1243 1.931,1244 1.732,1245 1.671,1246 1.955,1247 1.907,1248 1.046,1249 1.919,1250 1.717,1251 1.665,1252 1.901,1253 1.886,1254 0.964,1255 1.899,1256 1.516,1257 1.483,1258 1.692,1259 1.738,1260 0.93,1261 1.722,1262 1.431,1263 1.396,1264 1.644,1265 1.632,1266 0.835,1267 1.628,1268 1.297,1269 1.237,1270 1.508,1271 1.527,1272 0.562,1273 1.528,1274 4.489,1276 5.746,1277 2.398,1278 7.185,1279 4.595,1280 8.708,1281 6.605,1282 10.279,1289 8.872,1290 6.273,1291 2.901,1292 5.69,1300 48.067,1301 112.488,1302 278.762,1303 369.205,1304 426.478,1305 440.842,1306 440.842,1307 92.312,1308 8.108,1309 114.55,1310 114.55,1311 23,1312 12.558,1313 4.755,1314 3.954,1315 76.695,1316 276,1317 305,1318 0.129,1319 297.125,1320 526.41,1321 716.744,1322 48043,1324 28.702,1325 0.7,1326 0.561,1327 28.702,1328 22.999,1329 20.097,1330 0.457,1331 0.317,1332 13.788,1333 19.419,1334 13.55,1335 11.278,1336 20.097,1337 13.947,1338 16.928,1339 0.302,1340 0.171,1341 16.928,1342 9.592,1343 13.478,1344 0.195,1345 0.094,1346 13.478,1347 6.464,1348 10.711,1349 0.128,1350 0.051,1351 10.711,1352 4.297,1353 8.26,1354 0.083,1355 0.028,1356 8.26,1357 2.804,1358 0.216,1359 125.495,1360 0.183,1361 38.286,1362 0.323,1363 200,1364 614.715,1365 219.001,1366 587.767,1367 790.97,1368 550,1369 225,1370 566.741,1371 242.594,1372 570.67,1373 823.95,1374 538,1375 7.308} {0 CHEMBL150563,1 1.486,2 16.784,3 4.997,4 24.973,5 141.503,6 7.509,7 0.575,8 4.268,9 4.375,10 3.832,11 3.844,12 5.425,13 3.82,14 4.767,15 4.919,16 4.137,17 4.208,18 5.942,19 4.152,20 5.025,21 5.238,22 4.14,23 4.313,24 6.068,25 4.221,26 5.047,27 5.259,28 4.123,29 4.294,30 6.106,31 4.202,32 5.046,33 5.263,34 4.089,35 4.31,36 6.046,37 4.21,38 5.061,39 5.289,40 4.081,41 4.293,42 6.089,43 4.19,44 5.011,45 5.236,46 4.059,47 4.224,48 6.069,49 4.136,50 4.927,51 5.136,52 4.059,53 4.168,54 6.005,55 4.097,56 0.035,57 0.884,58 12.765,59 6.139,60 12.618,61 7.665,62 0.297,63 1.416,64 23.062,65 10.03,66 49.228,67 13.113,68 0.342,69 1.747,70 33.245,71 13.321,72 64.94,73 17.87,74 0.487,75 1.758,76 34.522,77 13.24,78 75.046,79 17.651,80 0.345,81 1.781,82 34.276,83 13.321,84 62.885,85 17.835,86 0.315,87 1.803,88 35.197,89 13.507,90 61.875,91 18.351,92 0.344,93 1.692,94 33.828,95 12.627,96 65.595,97 16.918,98 0.262,99 1.572,100 30.271,101 11.459,102 52.72,103 15.198,104 16,105 52,106 0.233,107 0.574,108 0.743,109 0.846,110 0.88,111 0.88,112 3.641,113 0.923,114 -4.88,115 -4.79,116 -4.49,118 45.5,120 5,124 1,133 1,134 1,140 11,141 4,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 22,169 1,171 1,172 5,175 2,177 2,180 25,181 1,185 1,186 7,189 1,191 2,194 22,195 1,197 1,198 8,201 1,203 3,206 17,207 1,210 9,215 4,218 15,219 1,222 12,227 4,229 12,230 1,234 14,239 3,242 9,243 2,247 13,252 3,255 7,256 3,258 2,259 11,260 1,264 4,267 7,268 3,270 2992,271 25.38,272 25.38,273 25.38,274 25.38,275 25.38,276 22.166,277 13.313,278 15.658,279 25.542,280 19.797,281 19.797,282 19.797,283 19.797,284 19.797,285 15.015,286 8.077,287 7.499,288 20.028,289 4.558,290 2.382,291 1.302,292 0.642,293 0.424,294 0.424,295 4.339,300 1,301 1319,302 4.472,305 125.746,306 447.968,313 2.72,314 34.724,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 79.5,326 621,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.563,338 6.248,339 3.925,340 2.942,341 3.89,342 1.058,343 9.413,344 2.888,345 3.957,346 3.043,347 5.905,348 3.605,349 2.608,350 3.454,352 8.179,353 2.596,354 3.893,355 2.83,356 5.34,357 3.509,358 2.51,359 3.439,361 6.964,362 2.509,363 3.639,364 2.719,365 5.239,366 3.24,367 2.235,368 3.06,370 6.368,371 2.222,372 3.55,373 2.263,374 4.659,375 3.195,376 2.207,377 2.71,379 5.184,380 2.179,381 3.267,382 2.035,383 4.54,384 2.797,385 1.814,386 2.53,388 4.664,389 1.78,390 3,391 1.893,392 4.167,393 2.653,394 1.662,395 2.155,397 3.851,398 1.642,399 2.926,400 1.695,401 3.937,402 2.532,403 1.535,404 2.088,406 3.31,407 1.529,408 2.756,409 1.533,410 3.64,411 2.429,412 1.448,413 1.796,415 3.121,416 1.416,417 2.521,418 1.365,419 3.63,420 2.147,421 1.175,422 1.508,424 2.926,425 1.139,426 2.5,427 1.307,428 3.414,429 2.016,430 1.021,431 1.5,433 2.349,434 1.012,435 2.5,436 1.171,437 3.392,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.277,447 2,448 1,449 1.5,451 2.136,452 1,453 2.388,454 1,455 3.247,456 1.956,457 1,458 1.3,460 2.136,461 0.953,462 17.533,463 0.474,464 0.661,465 0.018,466 49.25,467 1.331,468 26.5,469 0.716,470 22.75,471 0.615,472 30.14,473 0.815,474 38.867,475 0.589,476 40.041,477 1.082,478 9.914,479 0.268,480 8.184,481 0.221,482 0.057,484 0.257,487 0.763,488 1.155,489 0.789,490 1.021,491 0.652,492 0.927,493 0.602,494 1.13,495 0.919,496 1.092,497 0.484,498 1.059,499 0.789,500 0.985,501 0.931,502 0.996,503 0.84,504 0.99,505 0.933,506 1.02,507 1.009,508 0.999,509 0.955,510 1.014,511 0.952,512 1.027,513 1.045,514 1.009,515 0.887,516 1.035,517 0.872,518 1.044,519 0.992,520 1.026,521 0.783,522 1.023,523 1.043,524 1.008,525 0.975,526 0.969,527 1.002,528 0.96,529 1.047,530 1.092,531 0.962,532 1.038,533 0.951,534 0.99,535 5.5,536 0.246,537 3.556,538 1.625,539 1.144,540 0.872,541 0.687,542 0.417,543 0.373,544 0.336,545 24279,546 66864,547 2.087,548 43.9,549 6,550 14,551 1,552 2,553 2,554 2,555 2,558 1.779,559 2,560 3.978,561 0.108,567 98.087,568 1.486,569 3.663,570 4.742,571 5.403,572 5.62,573 5.62,574 3.519,575 4.777,576 5.172,577 4.205,578 2800.24,579 9.094,580 49605.2,585 398.93,586 1.172,587 5.162,588 0.138,589 0.006,590 0.068,591 0.032,592 0.023,593 0.018,594 0.015,595 0.009,596 0.008,597 0.007,598 0.325,599 0.17,600 0.75,601 1.279,602 209.457,603 -0.048,604 -0.05,605 0.028,606 0.008,607 -0.044,608 0.026,609 0.166,610 -0.059,611 -0.042,612 -0.086,613 0.151,614 -0.097,615 0.016,616 0.009,617 0.021,618 0.004,619 -0.013,620 0.009,621 0.023,622 -0.03,623 -0.034,624 -0.011,625 -0.052,626 -0.03,627 -0.104,628 -0.029,629 -0.084,630 -0.019,631 -0.11,632 -0.043,633 -0.057,634 -0.051,635 -0.023,636 -0.039,637 -0.013,638 -0.026,639 -0.083,640 -0.02,641 0.014,642 0.011,643 -0.05,644 0.026,645 -0.065,646 -0.085,647 0.014,648 -0.061,649 -0.058,650 -0.016,651 2.439,652 5.485,653 0.622,654 57.731,655 1.002,656 1.117,657 3.649,658 13.318,659 0.678,660 3.714,661 3.97,662 4.19,663 4.394,664 4.564,665 4.615,666 4.745,667 4.86,668 4.984,669 5.081,670 9.633,671 0.648,672 495.62,673 3.714,674 5.22,675 6.038,676 6.878,677 7.715,678 8.564,679 9.41,680 10.266,681 11.119,682 11.979,683 4.5,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,724 66,726 26,727 2,728 40,730 69,731 30,733 20,734 3,735 9,736 3,739 4,740 4,751 5,753 24,754 6,756 3,761 2,763 1,765 3,772 29,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 37,845 1,846 6,847 1,862 6.1,864 1,865 2,867 1,869 18.5,870 11.6,871 8.361,872 4.04,874 3.854,875 1.486,876 0.966,877 9.395,878 11.793,879 4.016,880 4.551,881 5.085,882 5.614,883 6.076,884 6.29,885 6.694,886 7.056,887 7.445,888 7.807,889 1,890 51,891 13.663,893 5.698,894 7.824,895 25.963,897 20.797,899 2.324,900 86,904 317.82,905 187.647,906 51.582,908 102.481,911 187.647,912 420.3,913 51.582,915 32.789,916 125.454,917 160.721,918 46.287,919 11.771,920 282.506,922 317.82,923 239.229,924 102.481,927 294.278,928 126.023,931 58.661,932 137.521,933 43.047,935 317.82,936 154.062,937 187.647,940 317.82,941 44.098,942 143.549,943 18.011,944 136.052,945 317.82,946 154.062,947 187.647,949 0.562,950 0.314,951 0.165,952 0.087,953 21,954 9,955 0.174,956 12,958 1,959 4.968,960 329.093,962 23,963 184.75,968 26.061,969 13.338,970 7.733,972 154.062,973 26.562,974 8.612,976 5.588,978 4.52,980 60.694,981 659.529,982 54.5,987 23.253,989 2.122,991 -0.014,994 66.101,995 73.73,996 0.246,997 0.606,998 0.785,999 0.894,1000 0.93,1001 0.93,1002 5.208,1003 1.662,1004 5.974,1005 4.664,1006 4.654,1007 5.239,1008 2.468,1009 6.703,1010 4.632,1011 6.381,1012 1.535,1013 7.477,1014 3.851,1015 4.007,1016 4.771,1017 2.243,1018 7.466,1019 3.99,1020 7.652,1021 1.448,1022 9.085,1023 3.31,1024 6.159,1025 7.342,1026 3.693,1027 10.551,1028 6.119,1029 8.96,1030 1.175,1031 10.759,1032 3.121,1033 6.399,1034 7.746,1035 4.112,1036 12.22,1037 6.361,1038 10.302,1039 1.021,1040 12.479,1041 2.926,1042 7.948,1043 9.72,1044 5.217,1045 14.784,1046 7.891,1047 11.669,1048 1,1049 14.231,1050 2.349,1051 8.611,1052 10.549,1053 5.889,1054 16.81,1055 8.551,1056 13.054,1057 1,1058 16.005,1059 2.275,1060 9.899,1061 12.244,1062 6.852,1063 19.199,1064 9.824,1065 3.042,1066 1,1067 17.795,1068 2.136,1069 10.775,1070 13.306,1071 7.625,1072 21.375,1073 10.695,1074 2.942,1075 10.188,1076 19.598,1077 2.136,1078 11.947,1079 14.856,1080 8.526,1081 23.702,1082 11.854,1083 2.608,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 16.05,1089 9.342,1090 25.944,1091 12.83,1092 2.51,1093 8.179,1094 23.229,1095 3.89,1096 14.052,1097 17.522,1098 10.216,1099 28.251,1100 13.94,1101 2.235,1102 6.964,1103 25.055,1104 3.454,1105 15.09,1106 18.794,1107 11.051,1108 30.524,1109 14.97,1110 2.207,1111 6.368,1112 26.885,1113 3.439,1114 16.192,1115 20.224,1116 11.912,1117 32.825,1118 16.062,1119 1.814,1120 5.184,1121 28.719,1122 3.06,1123 17.257,1124 21.542,1125 12.755,1126 35.113,1127 17.119,1128 23248,1129 38740,1130 27.216,1131 44.733,1132 59.089,1133 59.963,1134 59.162,1135 58.171,1136 58.186,1137 78.004,1138 6.798,1139 155.085,1140 57.513,1141 5.309,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.197,1151 1.477,1152 1.499,1153 1.479,1154 1.454,1155 1.455,1156 1.95,1157 0.17,1158 3.877,1159 1.438,1160 4.047,1161 4.069,1162 4.004,1163 3.971,1164 7.474,1165 3.972,1166 3.919,1167 3.953,1168 3.853,1169 3.858,1170 7.429,1171 3.85,1172 3.885,1173 3.911,1174 3.833,1175 3.756,1176 6.351,1177 3.77,1178 3.734,1179 3.779,1180 3.672,1181 3.594,1182 5.149,1183 3.609,1184 3.718,1185 3.754,1186 3.598,1187 3.571,1188 4.916,1189 3.574,1190 3.49,1191 3.547,1192 3.389,1193 3.313,1194 4.752,1195 3.319,1196 3.436,1197 3.477,1198 3.319,1199 3.259,1200 4.661,1201 3.26,1202 3.158,1203 3.187,1204 3.056,1205 2.984,1206 4.231,1207 2.996,1208 0.11,1209 0.09,1210 0.163,1211 0.101,1212 0.076,1213 4.411,1214 0.102,1215 3.596,1216 0.059,1217 6.502,1218 0.255,1219 4.036,1220 0.076,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.92,1233 1.89,1234 2.057,1235 2.011,1236 1.228,1237 2.028,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.163,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 0.964,1249 1.899,1250 1.569,1251 1.53,1252 1.747,1253 1.796,1254 0.892,1255 1.775,1256 1.432,1257 1.396,1258 1.644,1259 1.632,1260 0.835,1261 1.628,1262 1.344,1263 1.295,1264 1.506,1265 1.538,1266 0.538,1267 1.535,1268 1.184,1269 1.163,1270 1.341,1271 1.44,1272 0.48,1273 1.393,1274 4.394,1276 5.666,1277 2.398,1278 7.122,1279 4.595,1280 8.66,1281 6.605,1282 10.244,1289 8.852,1290 3.623,1291 2.882,1300 42.772,1301 98.087,1302 241.744,1303 313.002,1304 356.565,1305 370.93,1306 370.93,1307 76.418,1308 7.938,1309 105.32,1310 105.32,1311 23,1312 12.531,1313 4.755,1314 3.954,1315 65.078,1316 214,1317 221,1318 0.145,1319 264.351,1320 465.72,1321 636.777,1322 35479,1324 25.874,1325 0.699,1326 0.553,1327 25.874,1328 20.469,1329 18.097,1330 0.452,1331 0.308,1332 12.182,1333 17.555,1334 11.952,1335 9.942,1336 18.097,1337 12.308,1338 15.514,1339 0.298,1340 0.165,1341 15.514,1342 8.606,1343 12.478,1344 0.192,1345 0.091,1346 12.478,1347 5.888,1348 10.01,1349 0.125,1350 0.049,1351 10.01,1352 3.95,1353 7.727,1354 0.081,1355 0.027,1356 7.727,1357 2.584,1358 0.237,1359 112.587,1360 0.192,1361 34.756,1362 0.373,1363 184,1364 554.979,1365 199.458,1366 537.858,1367 725.05,1368 502,1369 209,1370 521.286,1371 223.272,1372 528.7,1373 762.95,1374 498,1375 8.027} {0 CHEMBL150660,1 1.462,2 19.075,3 5.462,4 29.838,5 153.702,6 6.908,7 0.395,8 4.436,9 4.553,10 3.925,11 3.959,12 5.487,13 3.926,14 5,15 5.175,16 4.227,17 4.343,18 6.049,19 4.27,20 5.294,21 5.537,22 4.233,23 4.457,24 6.213,25 4.344,26 5.281,27 5.522,28 4.205,29 4.427,30 6.232,31 4.317,32 5.237,33 5.474,34 4.165,35 4.439,36 6.149,37 4.32,38 5.251,39 5.493,40 4.145,41 4.438,42 6.173,43 4.308,44 5.24,45 5.493,46 4.12,47 4.375,48 6.177,49 4.249,50 5.168,51 5.419,52 4.113,53 4.303,54 6.091,55 4.196,56 0.038,57 1.079,58 17.553,59 7.817,60 12.286,61 10.31,62 0.382,63 1.74,64 32.863,65 12.993,66 55.169,67 17.799,68 0.52,69 2.12,70 46.453,71 16.846,72 75.028,73 23.7,74 0.674,75 2.073,76 46.324,77 16.117,78 83.213,79 22.742,80 0.505,81 2.044,82 43.592,83 16.004,84 66.521,85 22.544,86 0.375,87 2.082,88 43.937,89 16.323,90 68.107,91 23.237,92 0.51,93 2.025,94 44.109,95 15.406,96 76.171,97 22.314,98 0.409,99 1.895,100 40.992,101 14.028,102 54.993,103 20.362,104 16,105 55,106 0.223,107 0.541,108 0.721,109 0.841,110 0.874,111 0.874,112 3.717,113 1.004,114 -4.72,115 -4.63,116 -4.36,118 40.5,120 11,124 2,126 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 20,169 1,171 1,172 8,175 2,177 2,180 21,181 1,185 1,186 10,189 1,191 2,194 19,195 1,197 1,198 9,201 1,203 1,206 18,207 1,210 9,213 1,215 2,218 19,219 1,222 10,227 3,229 15,230 1,233 1,234 10,239 5,242 10,243 2,246 1,247 8,252 5,255 7,256 3,258 3,259 10,260 1,264 5,267 5,268 3,270 3984,271 27.501,272 27.501,273 27.501,274 27.501,275 27.501,276 25.038,277 16.898,278 17.158,279 27.8,280 21.297,281 21.297,282 21.297,283 21.297,284 21.297,285 17.559,286 13.399,287 8.246,288 21.75,289 4.842,290 2.764,291 1.581,292 0.799,293 0.582,294 0.582,295 4.414,300 1,301 1616,302 4.796,305 140.061,306 500.377,313 3.225,314 39.933,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 86.5,326 763,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,351 0.86,352 8.178,353 2.59,354 3.639,355 2.87,356 5.34,357 3.467,358 2.522,359 3.06,361 6.965,362 2.382,363 3.55,364 2.829,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.522,373 2.263,374 4.659,375 3.197,376 2.209,377 2.532,379 5.184,380 2.18,381 3.269,382 2.037,383 4.542,384 2.834,385 1.859,386 2.521,388 4.678,389 1.809,390 2.998,391 1.944,392 4.17,393 2.729,394 1.744,395 2.144,397 3.879,398 1.713,399 2.768,400 1.89,401 3.963,402 2.607,403 1.621,404 1.802,406 3.567,407 1.593,408 2.755,409 1.681,410 3.757,411 2.467,412 1.495,413 1.769,415 3.197,416 1.446,417 2.534,418 1.533,419 3.634,420 2.408,421 1.424,422 1.532,424 3.093,425 1.396,426 2.5,427 1.341,428 3.551,429 2.114,430 1.147,431 1.5,433 2.797,434 1.105,435 2.5,436 1.307,437 3.414,438 2.008,439 1.02,440 1.5,442 2.342,443 1.003,444 2.449,445 1.172,446 3.391,447 2,448 1,449 1.407,451 2.275,452 1,453 2.366,454 1,455 3.271,456 2,457 1,458 1.273,460 2.136,461 1,462 18.867,463 0.472,464 0.661,465 0.017,466 45.25,467 1.131,468 20.5,469 0.513,470 24.75,471 0.619,472 40.294,473 1.007,474 44.733,475 0.566,476 36.585,477 0.915,478 8.403,479 0.21,480 11.194,481 0.28,482 0.053,484 0.239,487 0.783,488 1.3,489 0.864,490 1.178,491 0.642,492 1.054,493 0.759,494 1.209,495 0.99,496 1.175,497 0.493,498 1.128,499 0.915,500 0.958,501 0.92,502 0.957,503 0.787,504 0.946,505 1.036,506 0.933,507 0.979,508 0.914,509 0.913,510 0.935,511 0.928,512 0.957,513 1.006,514 0.96,515 0.855,516 0.991,517 0.808,518 1.092,519 0.998,520 1.074,521 0.829,522 1.067,523 0.818,524 1.043,525 0.954,526 0.999,527 0.837,528 0.993,529 0.865,530 1.035,531 0.909,532 0.984,533 0.733,534 0.949,535 5.5,536 0.258,537 3.556,538 1.625,539 1.224,540 0.872,541 0.605,542 0.404,543 0.399,544 0.366,545 31780,546 76784,547 2.08,548 49.4,549 12,550 12,551 1,552 2,553 2,554 2,555 8,558 1.795,559 2,560 4.148,561 0.099,567 115.503,568 1.462,569 3.539,570 4.722,571 5.505,572 5.722,573 5.722,574 3.671,575 4.972,576 5.283,577 4.394,578 3427.19,579 9.305,580 66738.2,585 497.999,586 1.125,587 5.277,588 0.128,589 0.006,590 0.065,591 0.03,592 0.024,593 0.017,594 0.012,595 0.009,596 0.008,597 0.007,598 0.306,599 0.17,600 0.75,601 1.212,602 234.236,603 -0.033,604 -0.082,605 0.04,606 -0.023,607 -0.008,608 0.013,609 0.106,610 -0.094,611 -0.046,612 -0.104,613 0.157,614 -0.102,615 -0.008,616 0.028,617 0.055,618 0.043,619 0.018,620 0.054,621 -0.014,622 0.054,623 0.014,624 0.071,625 -0.022,626 0.05,627 -0.068,628 0.053,629 -0.04,630 0.05,631 -0.078,632 0.014,633 -0.048,634 -0.084,635 -0.045,636 -0.06,637 -0.032,638 -0.054,639 0.018,640 -0.044,641 0.018,642 -0.016,643 0.006,645 0.005,646 -0.021,647 0.069,648 -0.01,649 -0.003,650 0.035,651 2.436,652 5.543,653 0.575,654 71.76,655 0.998,656 1.127,657 3.489,658 12.174,659 0.646,660 3.784,661 4.025,662 4.234,663 4.431,664 4.595,665 4.635,666 4.754,667 4.86,668 4.977,669 5.056,670 10.903,671 0.609,672 545.74,673 3.784,674 5.283,675 6.094,676 6.927,677 7.757,678 8.6,679 9.441,680 10.291,681 11.14,682 11.995,683 3.8,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 79,726 20,727 1,728 43,730 82,731 32,733 14,734 2,735 4,736 3,739 4,740 4,748 6,751 12,753 18,754 14,756 3,761 2,763 1,765 3,772 39,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,840 40,845 1,846 13,847 1,848 1,850 1,862 6.3,864 1,865 2,866 1,867 1,869 20,870 13.683,871 9.111,872 5.276,874 3.019,875 1.374,876 0.944,877 11.958,878 11.086,879 4.016,880 4.491,881 4.99,882 5.499,883 5.946,884 6.232,885 6.647,886 7.01,887 7.396,888 7.742,889 0.923,890 54,891 14.863,893 6.18,894 7.742,895 28.769,897 23.383,899 2.242,900 89.667,904 435.531,905 156.88,906 51.582,908 113.48,911 156.88,912 549.011,913 51.582,915 52.589,916 78.073,917 171.721,918 43.101,919 11.771,920 400.217,922 435.531,923 208.461,924 113.48,927 341.362,928 196.649,929 11,931 78.46,932 86.954,933 43.047,935 435.531,936 165.062,937 156.88,940 435.531,941 60.712,942 96.168,943 18.011,944 147.051,945 435.531,946 165.062,947 156.88,949 0.557,950 0.309,951 0.163,952 0.086,953 21,954 9,955 0.183,956 15,958 1,959 5.305,960 356.36,962 23,963 204.877,968 29.704,969 16.103,970 9.708,972 165.062,973 16.672,974 8.648,976 5.615,978 3.416,980 60.694,981 757.473,982 54.5,987 23.334,989 2.129,991 0.019,994 78.847,995 89.016,996 0.232,997 0.561,998 0.749,999 0.873,1000 0.908,1001 0.908,1002 5.216,1003 1.744,1004 6.019,1005 4.678,1006 4.71,1007 5.179,1008 2.586,1009 6.732,1010 4.671,1011 6.357,1012 1.621,1013 7.51,1014 3.879,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.967,1020 7.613,1021 1.495,1022 9.108,1023 3.567,1024 6.196,1025 7.218,1026 3.72,1027 10.559,1028 6.127,1029 8.908,1030 1.424,1031 10.775,1032 3.197,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.329,1038 10.242,1039 1.147,1040 12.49,1041 3.093,1042 7.969,1043 9.58,1044 5.221,1045 14.785,1046 7.875,1047 11.602,1048 1.02,1049 14.237,1050 2.797,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.516,1056 12.984,1057 1,1058 16.009,1059 2.342,1060 9.909,1061 12.117,1062 6.852,1063 19.199,1064 9.797,1065 3.042,1066 1,1067 17.798,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.661,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.951,1079 14.75,1080 8.526,1081 23.702,1082 11.824,1083 2.6,1084 9.413,1085 21.411,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.799,1092 2.522,1093 8.178,1094 23.23,1095 3.89,1096 14.054,1097 17.438,1098 10.216,1099 28.251,1100 13.913,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.943,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.038,1119 1.859,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.097,1128 30437,1129 47621,1130 29.296,1131 50.995,1132 62.724,1133 64.042,1134 62.983,1135 62.046,1136 62.068,1137 77.73,1138 8.518,1139 162.869,1140 60.823,1141 5.411,1142 5.596,1143 6.328,1144 5.091,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 16.07,1151 1.459,1152 1.489,1153 1.465,1154 1.443,1155 1.443,1156 1.808,1157 0.198,1158 3.788,1159 1.414,1160 4.046,1161 4.069,1162 4.003,1163 3.97,1164 7.474,1165 3.971,1166 3.89,1167 3.924,1168 3.849,1169 3.757,1170 7.429,1171 3.772,1172 3.873,1173 3.916,1174 3.737,1175 3.744,1176 6.351,1177 3.733,1178 3.746,1179 3.792,1180 3.676,1181 3.603,1182 5.149,1183 3.62,1184 3.725,1185 3.775,1186 3.599,1187 3.585,1188 4.916,1189 3.577,1190 3.645,1191 3.695,1192 3.503,1193 3.488,1194 4.662,1195 3.484,1196 3.456,1197 3.49,1198 3.355,1199 3.295,1200 4.598,1201 3.301,1202 3.34,1203 3.396,1204 3.223,1205 3.077,1206 4.231,1207 3.099,1208 0.103,1209 0.084,1210 0.151,1211 0.094,1212 0.071,1213 4.411,1214 0.094,1215 3.596,1216 0.054,1217 6.502,1218 0.237,1219 4.036,1220 0.07,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.087,1229 2.055,1230 1.466,1231 2.063,1232 1.86,1233 1.809,1234 2.079,1235 2.023,1236 1.327,1237 2.045,1238 1.798,1239 1.767,1240 1.955,1241 1.913,1242 1.27,1243 1.922,1244 1.717,1245 1.665,1246 1.944,1247 1.899,1248 1.163,1249 1.913,1250 1.698,1251 1.637,1252 1.901,1253 1.886,1254 0.963,1255 1.898,1256 1.484,1257 1.455,1258 1.644,1259 1.703,1260 0.835,1261 1.681,1262 1.431,1263 1.395,1264 1.621,1265 1.632,1266 0.825,1267 1.628,1268 1.214,1269 1.171,1270 1.513,1271 1.485,1272 0.819,1273 1.479,1274 4.466,1276 5.727,1277 2.398,1278 7.169,1279 4.595,1280 8.696,1281 6.605,1282 10.27,1289 8.871,1290 11.684,1291 2.916,1292 5.946,1294 0.416,1300 48.121,1301 115.503,1302 279.603,1303 373.066,1304 434.879,1305 451.999,1306 451.999,1307 93.949,1308 8.068,1309 114.55,1310 114.55,1311 23,1312 12.551,1313 4.392,1314 3.644,1315 73.707,1316 259,1317 284,1318 0.133,1319 296.315,1320 527.93,1321 714.767,1322 44708,1324 27.995,1325 0.7,1326 0.575,1327 27.995,1328 23.018,1329 19.597,1330 0.456,1331 0.335,1332 14.223,1333 18.919,1334 13.996,1335 11.612,1336 19.597,1337 14.384,1338 16.575,1339 0.301,1340 0.186,1341 16.575,1342 10.208,1343 13.228,1344 0.195,1345 0.105,1346 13.228,1347 7.108,1348 10.535,1349 0.127,1350 0.059,1351 10.535,1352 4.896,1353 8.135,1354 0.083,1355 0.034,1356 8.135,1357 3.341,1358 0.221,1359 122.495,1360 0.185,1361 37.413,1362 0.335,1363 196,1364 578.715,1365 215.001,1366 548.931,1367 736.38,1368 514,1369 221,1370 523.832,1371 238.594,1372 525.656,1373 762.07,1374 496,1375 7.31} {0 CHEMBL151083,1 1.522,2 17.553,3 4.725,4 22.324,5 142.688,6 7.636,7 0.561,8 4.291,9 4.392,10 3.867,11 3.842,12 5.462,13 3.83,14 4.788,15 4.935,16 4.169,17 4.192,18 5.985,19 4.152,20 5.034,21 5.24,22 4.171,23 4.285,24 6.109,25 4.212,26 5.027,27 5.225,28 4.145,29 4.271,30 6.115,31 4.197,32 5.041,33 5.244,34 4.119,35 4.311,36 6.082,37 4.218,38 5.088,39 5.316,40 4.096,41 4.304,42 6.1,43 4.199,44 5.044,45 5.275,46 4.074,47 4.228,48 6.079,49 4.137,50 4.941,51 5.153,52 4.079,53 4.172,54 6.025,55 4.105,56 0.063,57 0.9,58 12.751,59 6.227,60 13.853,61 7.561,62 0.374,63 1.421,64 23.444,65 10.016,66 53.795,67 12.685,68 0.534,69 1.718,70 33.901,71 13.03,72 73.28,73 17.036,74 0.596,75 1.696,76 33.543,77 12.717,78 78.393,79 16.448,80 0.501,81 1.753,82 33.527,83 13.235,84 72.275,85 17.44,86 0.437,87 1.843,88 36.072,89 13.765,90 64.689,91 18.765,92 0.525,93 1.731,94 35.366,95 12.924,96 66.925,97 17.535,98 0.331,99 1.578,100 30.716,101 11.658,102 55.521,103 15.476,104 16,105 53,106 0.238,107 0.588,108 0.76,109 0.849,110 0.882,111 0.882,112 3.667,113 0.911,114 -4.4,115 -4.33,116 -4.08,118 44.8,120 4,124 2,133 1,134 1,140 11,141 3,142 1,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 19,169 1,171 1,172 7,175 2,177 1,180 21,181 1,185 1,186 9,189 2,191 1,194 19,195 1,197 1,198 8,201 1,203 1,206 16,207 1,209 1,210 7,215 4,218 15,219 1,221 1,222 8,227 5,229 12,230 1,233 1,234 11,239 4,242 8,243 2,247 13,252 3,255 4,256 3,258 2,259 15,260 1,264 4,267 1,268 3,270 3314,271 26.087,272 26.087,273 26.087,274 26.087,275 26.087,276 22.873,277 15.129,278 16.158,279 26.389,280 20.297,281 20.297,282 20.297,283 20.297,284 20.297,285 15.515,286 12.105,287 7.746,288 20.757,289 4.544,290 2.305,291 1.2,292 0.632,293 0.418,294 0.418,295 4.364,300 1,301 1415,302 4.583,305 130.525,306 465.52,313 2.892,314 38.397,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 82.5,326 667,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.563,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.602,350 3.45,351 0.86,352 8.178,353 2.589,354 3.896,355 2.871,356 5.34,357 3.466,358 2.519,359 3.443,361 6.965,362 2.381,363 3.639,364 2.828,365 5.239,366 3.24,367 2.235,368 3.06,370 6.368,371 2.222,372 3.55,373 2.263,374 4.659,375 3.196,376 2.208,377 2.71,379 5.184,380 2.18,381 3.268,382 2.037,383 4.542,384 2.805,385 1.828,386 2.531,388 4.674,389 1.784,390 3.001,391 1.92,392 4.169,393 2.664,394 1.686,395 2.151,397 3.863,398 1.645,399 2.941,400 1.883,401 3.949,402 2.539,403 1.568,404 2.104,406 3.392,407 1.509,408 2.756,409 1.534,410 3.675,411 2.436,412 1.462,413 1.796,415 3.138,416 1.421,417 2.566,418 1.517,419 3.633,420 2.267,421 1.293,422 1.576,424 3.011,425 1.253,426 2.5,427 1.307,428 3.414,429 2.045,430 1.052,431 1.5,433 2.415,434 1.04,435 2.5,436 1.173,437 3.398,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.351,447 2,448 1,449 1.5,451 2.244,452 1,453 2.419,454 1,455 3.257,456 1.956,457 1,458 1.348,460 2.136,461 0.953,462 17.867,463 0.47,464 0.661,465 0.017,466 50.75,467 1.336,468 27,469 0.711,470 23.75,471 0.625,472 30.605,473 0.805,474 40.333,475 0.602,476 41.804,477 1.1,478 10.331,479 0.272,480 8.266,481 0.218,482 0.056,484 0.252,487 0.793,488 1.197,489 0.772,490 1.061,491 0.667,492 0.936,493 0.763,494 1.142,495 0.928,496 1.096,497 0.528,498 1.051,499 0.932,500 0.927,501 0.942,502 0.943,503 0.887,504 0.948,505 1.028,506 0.999,507 1.035,508 0.985,509 1.017,510 1.009,511 0.853,512 1.065,513 1.054,514 1.053,515 0.863,516 1.085,517 0.748,518 1.07,519 0.996,520 1.061,521 0.718,522 1.068,523 0.843,524 0.994,525 0.935,526 0.96,527 0.824,528 0.958,529 0.912,530 1.079,531 0.905,532 1.024,533 0.969,534 0.969,535 5.5,536 0.269,537 3.556,538 1.625,539 1.224,540 0.816,541 0.605,542 0.497,543 0.389,544 0.305,545 26614,546 76377,547 2.084,548 43.3,549 6,550 16,551 1,552 2,553 2,554 2,558 1.784,559 2,560 4.038,561 0.123,567 101.975,568 1.522,569 3.761,570 4.866,571 5.434,572 5.648,573 5.648,574 3.55,575 4.682,576 5.21,577 4.269,578 3001.21,579 9.166,580 54895.4,585 406.428,586 1.156,587 5.202,588 0.134,589 0.006,590 0.067,591 0.031,592 0.024,593 0.017,594 0.013,595 0.011,596 0.008,597 0.006,598 0.318,599 0.17,600 0.75,601 1.256,602 217.64,603 -0.052,604 -0.081,605 0.033,606 -0.021,607 -0.051,608 0.014,609 0.101,610 -0.068,611 -0.047,612 -0.089,613 0.134,614 -0.096,615 -0.004,616 0.066,617 0.027,618 0.051,619 -0.023,620 0.042,621 -0.03,622 -0.005,623 -0.065,624 0.005,625 -0.079,626 -0.031,627 -0.033,628 -0.066,629 -0.109,630 -0.051,631 -0.077,632 -0.088,633 -0.011,634 -0.071,635 -0.035,636 -0.072,637 -0.012,638 -0.059,639 0.014,640 -0.008,641 0.054,642 0.021,643 -0.002,644 0.044,645 -0.041,646 -0.078,647 0.062,648 -0.037,649 -0.037,650 0.022,651 2.443,652 5.45,653 0.605,654 62.454,655 1.006,656 1.119,657 3.169,658 10.043,659 0.674,660 3.738,661 3.989,662 4.205,663 4.407,664 4.575,665 4.615,666 4.745,667 4.86,668 4.977,669 5.063,670 10.048,671 0.649,672 511.62,673 3.738,674 5.242,675 6.057,676 6.895,677 7.729,678 8.576,679 9.42,680 10.273,681 11.125,682 11.983,683 4.5,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,722 1,724 67,726 26,727 2,728 41,730 70,731 30,733 20,734 3,735 9,736 3,739 4,740 4,751 4,753 24,754 6,756 3,761 2,763 1,765 3,772 29,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 38,845 1,846 6,847 1,848 1,862 7.5,864 1,865 2,867 2,869 19,870 11.767,871 8.611,872 4.04,874 3.829,875 1.48,876 0.958,877 9.971,878 11.812,879 4.034,880 4.562,881 5.091,882 5.617,883 6.078,884 6.284,885 6.687,886 7.044,887 7.427,888 7.777,889 0.917,890 52,891 14.024,893 5.83,894 7.855,895 26.497,897 21.015,899 2.355,900 89.5,904 317.82,905 191.763,906 51.582,908 113.48,911 191.763,912 431.3,913 51.582,915 34.847,916 125.454,917 160.721,918 59.345,919 11.771,920 282.506,922 317.82,923 243.344,924 113.48,927 317.82,928 113.48,931 60.719,932 139.578,933 43.047,935 317.82,936 165.062,937 191.763,940 317.82,941 48.213,942 143.549,943 18.011,944 147.051,945 317.82,946 165.062,947 191.763,949 0.56,950 0.312,951 0.164,952 0.087,953 21,954 9,955 0.186,956 13,958 1,959 5.081,960 338.153,962 23,963 191.421,968 26.995,969 14.036,970 8.231,972 165.062,973 25.875,974 8.578,976 5.568,978 3.998,980 60.694,981 674.645,982 55.5,987 23.221,989 2.114,991 -0.093,994 67.429,995 74.94,996 0.251,997 0.62,998 0.802,999 0.896,1000 0.931,1001 0.931,1002 5.224,1003 1.686,1004 5.989,1005 4.674,1006 4.673,1007 5.25,1008 2.586,1009 6.713,1010 4.633,1011 6.393,1012 1.568,1013 7.488,1014 3.863,1015 4.007,1016 4.771,1017 2.243,1018 7.466,1019 3.967,1020 7.661,1021 1.462,1022 9.093,1023 3.392,1024 6.172,1025 7.346,1026 3.72,1027 10.554,1028 6.1,1029 8.967,1030 1.293,1031 10.765,1032 3.138,1033 6.399,1034 7.746,1035 4.112,1036 12.22,1037 6.329,1038 10.307,1039 1.052,1040 12.483,1041 3.011,1042 7.955,1043 9.721,1044 5.221,1045 14.784,1046 7.86,1047 11.672,1048 1,1049 14.233,1050 2.415,1051 8.611,1052 10.549,1053 5.889,1054 16.81,1055 8.516,1056 13.056,1057 1,1058 16.006,1059 2.275,1060 9.902,1061 12.245,1062 6.852,1063 19.199,1064 9.79,1065 3.042,1066 1,1067 17.796,1068 2.244,1069 10.775,1070 13.306,1071 7.625,1072 21.375,1073 10.661,1074 2.941,1075 10.188,1076 19.598,1077 2.136,1078 11.948,1079 14.856,1080 8.526,1081 23.702,1082 11.821,1083 2.602,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 16.05,1089 9.342,1090 25.944,1091 12.799,1092 2.519,1093 8.178,1094 23.229,1095 3.89,1096 14.052,1097 17.522,1098 10.216,1099 28.251,1100 13.911,1101 2.235,1102 6.965,1103 25.055,1104 3.45,1105 15.09,1106 18.794,1107 11.051,1108 30.523,1109 14.943,1110 2.208,1111 6.368,1112 26.885,1113 3.443,1114 16.192,1115 20.224,1116 11.912,1117 32.825,1118 16.037,1119 1.828,1120 5.184,1121 28.719,1122 3.06,1123 17.257,1124 21.542,1125 12.755,1126 35.113,1127 17.097,1128 25485,1129 43345,1130 27.909,1131 45.188,1132 60.312,1133 61.488,1134 60.457,1135 59.499,1136 59.532,1137 79.361,1138 8.518,1139 157.801,1140 58.285,1141 5.329,1142 5.596,1143 6.304,1144 5.105,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.489,1151 1.471,1152 1.5,1153 1.475,1154 1.451,1155 1.452,1156 1.936,1157 0.208,1158 3.849,1159 1.422,1160 4.045,1161 4.067,1162 4.003,1163 3.969,1164 7.474,1165 3.971,1166 3.895,1167 3.922,1168 3.849,1169 3.813,1170 7.429,1171 3.81,1172 3.885,1173 3.91,1174 3.821,1175 3.757,1176 6.351,1177 3.771,1178 3.737,1179 3.78,1180 3.675,1181 3.595,1182 5.149,1183 3.613,1184 3.721,1185 3.762,1186 3.598,1187 3.575,1188 4.917,1189 3.575,1190 3.53,1191 3.586,1192 3.417,1193 3.321,1194 4.86,1195 3.332,1196 3.446,1197 3.481,1198 3.336,1199 3.268,1200 4.661,1201 3.276,1202 3.168,1203 3.192,1204 3.081,1205 2.981,1206 4.37,1207 2.995,1208 0.108,1209 0.088,1210 0.159,1211 0.098,1212 0.074,1213 4.411,1214 0.099,1215 3.596,1216 0.057,1217 6.502,1218 0.248,1219 4.036,1220 0.074,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.874,1233 1.849,1234 2.002,1235 1.982,1236 1.163,1237 1.987,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.072,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 0.992,1249 1.899,1250 1.591,1251 1.548,1252 1.786,1253 1.831,1254 0.963,1255 1.815,1256 1.432,1257 1.396,1258 1.644,1259 1.632,1260 0.835,1261 1.628,1262 1.355,1263 1.314,1264 1.507,1265 1.575,1266 0.534,1267 1.558,1268 1.184,1269 1.163,1270 1.341,1271 1.444,1272 0.48,1273 1.394,1274 4.419,1276 5.687,1277 2.398,1278 7.138,1279 4.595,1280 8.672,1281 6.605,1282 10.253,1289 8.854,1290 3.022,1291 2.779,1292 5.585,1300 43.487,1301 101.975,1302 251.996,1303 326.01,1304 364.063,1305 378.428,1306 378.428,1307 79.649,1308 7.983,1309 114.55,1310 114.55,1311 23,1312 12.537,1313 4.755,1314 3.954,1315 67.897,1316 228,1317 242,1318 0.141,1319 268.348,1320 474.51,1321 646.528,1322 38427,1324 26.581,1325 0.699,1326 0.549,1327 26.581,1328 20.878,1329 18.597,1330 0.454,1331 0.304,1332 12.288,1333 17.92,1334 12.079,1335 10.03,1336 18.597,1337 12.447,1338 15.868,1339 0.299,1340 0.161,1341 15.868,1342 8.532,1343 12.728,1344 0.193,1345 0.087,1346 12.728,1347 5.745,1348 10.181,1349 0.126,1350 0.047,1351 10.181,1352 3.835,1353 7.889,1354 0.082,1355 0.026,1356 7.889,1357 2.497,1358 0.231,1359 116.495,1360 0.189,1361 35.648,1362 0.36,1363 188,1364 602.715,1365 207.001,1366 575.283,1367 773.69,1368 538,1369 213,1370 554.741,1371 230.649,1372 558.189,1373 806.75,1374 526,1375 8.585} {0 CHEMBL151091,1 1.494,2 18.975,3 5.437,4 29.562,5 152.567,6 7.393,7 0.535,8 4.367,9 4.474,10 3.915,11 3.915,12 5.513,13 3.894,14 4.878,15 5.037,16 4.217,17 4.276,18 6.028,19 4.225,20 5.117,21 5.326,22 4.236,23 4.396,24 6.154,25 4.309,26 5.162,27 5.375,28 4.206,29 4.402,30 6.201,31 4.305,32 5.175,33 5.401,34 4.16,35 4.418,36 6.131,37 4.303,38 5.181,39 5.415,40 4.136,41 4.375,42 6.167,43 4.264,44 5.106,45 5.334,46 4.115,47 4.302,48 6.116,49 4.207,50 5.062,51 5.282,52 4.132,53 4.258,54 6.111,55 4.178,56 0.043,57 0.979,58 14.641,59 6.93,60 13.359,61 8.677,62 0.38,63 1.555,64 27.031,65 11.237,66 55.277,67 14.669,68 0.405,69 1.893,70 36.798,71 14.534,72 68.099,73 19.494,74 0.57,75 1.955,76 39.133,77 14.842,78 79.596,79 19.97,80 0.374,81 1.994,82 39.58,83 15.528,84 67.24,85 21.233,86 0.435,87 1.99,88 40.561,89 15.037,90 73.287,91 20.685,92 0.399,93 1.851,94 37.46,95 13.658,96 64.084,97 18.687,98 0.422,99 1.743,100 35.877,101 13.151,102 61.406,103 17.718,104 26,105 56,106 0.23,107 0.581,108 0.761,109 0.855,110 0.879,111 0.879,112 3.717,113 0.93,114 -4.78,115 -4.69,116 -4.4,118 43.8,120 6,123 1,124 1,133 1,134 1,140 10,141 4,142 1,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 7,175 2,177 2,180 24,181 1,185 1,186 9,189 1,191 2,194 23,195 1,197 1,198 9,201 1,203 2,206 18,207 1,210 10,215 4,218 15,219 1,222 12,227 5,229 12,230 1,234 13,239 3,242 9,243 2,247 13,250 1,252 3,255 7,256 3,258 2,259 12,260 1,264 4,267 6,268 3,270 3888,271 27.405,272 27.405,273 27.405,274 27.405,275 27.405,276 24.218,277 19.457,278 16.742,279 27.745,280 21.19,281 21.19,282 21.19,283 21.19,284 21.19,285 16.342,286 15.624,287 7.921,288 21.615,289 4.696,290 2.415,291 1.241,292 0.635,293 0.476,294 0.476,295 4.413,300 1,301 1604,302 4.743,305 139.4,306 494.13,313 3.129,314 38.438,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 86.5,326 759,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 4.035,346 3.043,347 5.905,348 3.632,349 2.652,350 3.635,351 0.86,352 8.178,353 2.604,354 3.954,355 2.899,356 5.48,357 3.596,358 2.598,359 3.449,361 7.336,362 2.584,363 3.639,364 2.829,365 5.239,366 3.24,367 2.235,368 3.06,370 6.368,371 2.222,372 3.55,373 2.565,374 5.108,375 3.198,376 2.215,377 2.765,379 6.271,380 2.181,381 3.484,382 2.263,383 4.659,384 3.155,385 2.194,386 2.71,388 5.184,389 2.09,390 3.267,391 2.036,392 4.541,393 2.801,394 1.819,395 2.53,397 4.673,398 1.782,399 2.993,400 1.893,401 4.169,402 2.653,403 1.665,404 2.142,406 3.859,407 1.641,408 2.756,409 1.686,410 3.946,411 2.471,412 1.495,413 1.797,415 3.289,416 1.456,417 2.587,418 1.533,419 3.634,420 2.351,421 1.363,422 1.599,424 3.089,425 1.343,426 2.5,427 1.307,428 3.482,429 2.055,430 1.062,431 1.5,433 2.501,434 1.051,435 2.5,436 1.19,437 3.414,438 2,439 1,440 1.5,442 2.293,443 1,444 2.5,445 1.17,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.431,454 1,455 3.387,456 1.956,457 1,458 1.362,460 2.275,461 0.953,462 18.867,463 0.472,464 0.729,465 0.018,466 51.75,467 1.294,468 27,469 0.675,470 24.75,471 0.619,472 34.64,473 0.866,474 42.933,475 0.588,476 43.281,477 1.082,478 10.398,479 0.26,480 9.131,481 0.228,482 0.08,484 0.265,487 0.789,488 1.214,489 0.802,490 1.087,491 0.66,492 0.968,493 0.759,494 1.092,495 0.918,496 1.045,497 0.516,498 1.014,499 0.826,500 0.997,501 0.933,502 1,503 0.843,504 0.989,505 0.912,506 1.014,507 1.04,508 1.013,509 0.951,510 1.042,511 0.782,512 1.063,513 1.005,514 1.056,515 0.835,516 1.067,517 0.896,518 1.047,519 1.017,520 1.016,521 0.872,522 1.03,523 0.959,524 1.04,525 1.002,526 1.004,527 0.875,528 1.002,529 1.017,530 1.038,531 0.944,532 0.989,533 0.968,534 0.959,535 6.5,536 0.319,537 4,538 1.688,539 1.456,540 0.934,541 0.646,542 0.529,543 0.405,544 0.336,545 30940,546 85871,547 2.065,548 45.2,549 8,550 16,551 1,552 2,553 2,554 2,555 2,558 1.796,559 1.967,560 4.139,561 0.099,567 109.028,568 1.494,569 3.775,570 4.949,571 5.555,572 5.714,573 5.714,574 3.637,575 4.972,576 5.285,577 4.367,578 3406.01,579 9.308,580 65568.1,585 451.857,586 1.236,587 5.269,588 0.151,589 0.007,590 0.071,591 0.03,592 0.027,593 0.018,594 0.013,595 0.011,596 0.008,597 0.007,598 0.345,599 0.17,600 0.75,601 1.347,602 233.551,603 -0.043,604 -0.078,605 0.034,606 -0.021,607 -0.037,608 0.013,609 0.1,610 -0.012,611 -0.014,612 -0.022,613 0.146,614 -0.036,615 -0.005,616 0.013,617 0.014,618 0.008,619 -0.009,620 0.011,621 -0.01,622 -0.008,623 -0.076,624 -0.017,625 -0.067,626 -0.052,627 -0.054,628 -0.07,629 -0.058,630 -0.048,631 -0.091,632 -0.054,633 -0.077,634 -0.051,635 -0.046,636 -0.029,637 -0.057,638 -0.032,639 -0.082,640 -0.03,641 -0.027,642 -0.026,643 -0.041,644 -0.015,645 -0.036,646 -0.045,647 0.042,648 -0.005,649 -0.033,650 0.025,651 2.441,652 5.573,653 0.575,654 69.12,655 1.003,656 1.12,657 3.547,658 12.581,659 0.667,660 3.784,661 4.043,662 4.263,663 4.454,664 4.635,665 4.691,666 4.796,667 4.89,668 5.004,669 5.1,670 10.691,671 0.638,672 539.68,673 3.784,674 5.293,675 6.111,676 6.952,677 7.789,678 8.637,679 9.483,680 10.337,681 11.189,682 12.047,683 4.1,690 1,693 2,699 13,700 2,702 1,704 7,706 23,712 1,722 1,724 73,726 26,727 2,728 43,730 76,731 32,733 20,734 4,735 8,736 3,739 4,740 4,751 6,753 24,754 8,756 3,761 2,763 1,765 3,772 33,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,836 1,840 40,845 1,846 7,847 1,848 1,862 6.8,864 1,865 2,867 2,869 20.333,870 13.183,871 9.111,872 4.443,874 3.899,875 1.479,876 0.954,877 10.8,878 12.038,879 4.069,880 4.603,881 5.137,882 5.658,883 6.131,884 6.354,885 6.722,886 7.056,887 7.435,888 7.788,889 0.923,890 56,891 14.771,893 6.114,894 7.817,895 28.088,897 22.351,899 2.317,900 92.667,904 364.904,905 196.832,906 51.582,908 113.48,911 196.832,912 478.385,913 51.582,914 10.883,915 35.324,916 115.978,917 160.721,918 62.53,919 11.771,920 329.591,922 364.904,923 248.413,924 113.48,927 341.362,928 137.023,931 61.195,932 144.171,933 43.047,935 364.904,936 165.062,937 196.832,940 364.904,941 51.875,942 144.956,943 18.011,944 147.051,945 364.904,946 165.062,947 196.832,949 0.562,950 0.318,951 0.164,952 0.087,953 22,954 10,955 0.184,956 14,958 1,959 5.228,960 360.925,962 23,963 204.877,968 28.943,969 14.925,970 8.731,972 165.062,973 24.488,974 8.634,976 5.609,978 5.35,980 60.694,981 726.798,982 57.5,987 23.363,989 2.121,991 -0.021,994 73.196,995 81.77,996 0.241,997 0.61,998 0.799,999 0.897,1000 0.923,1001 0.923,1002 5.267,1003 1.819,1004 6.052,1005 5.184,1006 4.727,1007 5.291,1008 2.586,1009 6.783,1010 4.693,1011 6.44,1012 1.665,1013 7.56,1014 4.673,1015 4.111,1016 4.879,1017 2.243,1018 7.554,1019 4.075,1020 7.715,1021 1.495,1022 9.169,1023 3.859,1024 6.24,1025 7.4,1026 3.72,1027 10.619,1028 6.181,1029 9.027,1030 1.363,1031 10.842,1032 3.289,1033 6.494,1034 7.846,1035 4.112,1036 12.274,1037 6.431,1038 10.372,1039 1.062,1040 12.558,1041 3.089,1042 8.026,1043 9.783,1044 5.221,1045 14.828,1046 7.946,1047 11.739,1048 1,1049 14.303,1050 2.501,1051 8.691,1052 10.638,1053 5.889,1054 16.842,1055 8.606,1056 13.125,1057 1,1058 16.071,1059 2.293,1060 9.969,1061 12.31,1062 6.852,1063 19.225,1064 9.871,1065 3.042,1066 1,1067 17.855,1068 2.275,1069 10.843,1070 13.386,1071 7.625,1072 21.393,1073 10.739,1074 2.941,1075 10.188,1076 19.651,1077 2.275,1078 12.008,1079 14.922,1080 8.526,1081 23.717,1082 11.893,1083 2.652,1084 9.413,1085 21.456,1086 4.063,1087 12.988,1088 16.124,1089 9.342,1090 25.955,1091 12.866,1092 2.598,1093 8.178,1094 23.27,1095 3.89,1096 14.104,1097 17.587,1098 10.216,1099 28.259,1100 13.973,1101 2.235,1102 7.336,1103 25.09,1104 3.635,1105 15.138,1106 18.862,1107 11.051,1108 30.53,1109 15,1110 2.215,1111 6.368,1112 26.916,1113 3.449,1114 16.236,1115 20.285,1116 11.912,1117 32.83,1118 16.089,1119 2.194,1120 6.271,1121 28.746,1122 3.06,1123 17.298,1124 21.604,1125 12.755,1126 35.116,1127 17.144,1128 29777,1129 49775,1130 29.008,1131 48.711,1132 63.08,1133 64.396,1134 63.79,1135 62.331,1136 62.386,1137 82.397,1138 8.518,1139 167.09,1140 61.22,1141 5.33,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 18.766,1151 1.467,1152 1.498,1153 1.483,1154 1.45,1155 1.451,1156 1.916,1157 0.198,1158 3.886,1159 1.424,1160 4.048,1161 4.07,1162 4.005,1163 3.971,1164 7.474,1165 3.973,1166 3.932,1167 3.959,1168 3.864,1169 3.864,1170 7.429,1171 3.86,1172 3.888,1173 3.914,1174 3.848,1175 3.757,1176 6.351,1177 3.771,1178 3.738,1179 3.78,1180 3.676,1181 3.596,1182 5.149,1183 3.614,1184 3.722,1185 3.764,1186 3.599,1187 3.577,1188 4.918,1189 3.575,1190 3.569,1191 3.625,1192 3.444,1193 3.398,1194 4.862,1195 3.397,1196 3.451,1197 3.485,1198 3.346,1199 3.291,1200 4.661,1201 3.295,1202 3.284,1203 3.338,1204 3.17,1205 3.025,1206 4.388,1207 3.049,1208 0.103,1209 0.084,1210 0.151,1211 0.094,1212 0.071,1213 4.411,1214 0.094,1215 3.596,1216 0.054,1217 6.502,1218 0.237,1219 4.036,1220 0.07,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.92,1233 1.895,1234 2.053,1235 2.019,1236 1.289,1237 2.031,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.163,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 0.996,1249 1.899,1250 1.621,1251 1.572,1252 1.826,1253 1.841,1254 0.963,1255 1.831,1256 1.437,1257 1.398,1258 1.644,1259 1.632,1260 0.835,1261 1.629,1262 1.423,1263 1.393,1264 1.583,1265 1.63,1266 0.62,1267 1.616,1268 1.193,1269 1.166,1270 1.531,1271 1.495,1272 0.558,1273 1.512,1274 4.466,1276 5.74,1277 2.398,1278 7.197,1279 4.595,1280 8.736,1281 6.605,1282 10.321,1284 1.642,1289 8.869,1290 4.531,1291 2.901,1292 5.179,1300 46.54,1301 109.028,1302 275.583,1303 361.254,1304 405.493,1305 417.102,1306 417.102,1307 87.936,1308 8.139,1309 114.55,1310 114.55,1311 23,1312 12.601,1313 4.755,1314 3.954,1315 73.683,1316 255,1317 292,1318 0.136,1319 287.532,1320 509.11,1321 693.339,1322 47619,1324 28.158,1325 0.704,1326 0.563,1327 28.158,1328 22.507,1329 19.529,1330 0.454,1331 0.31,1332 13.164,1333 18.83,1334 12.878,1335 10.733,1336 19.529,1337 13.331,1338 16.659,1339 0.297,1340 0.166,1341 16.659,1342 9.322,1343 13.547,1344 0.194,1345 0.092,1346 13.547,1347 6.432,1348 10.634,1349 0.125,1350 0.05,1351 10.634,1352 4.272,1353 8.271,1354 0.081,1355 0.028,1356 8.271,1357 2.823,1358 0.225,1359 122.293,1360 0.186,1361 37.245,1362 0.344,1363 198,1364 614.715,1365 216.337,1366 588.32,1367 791.16,1368 550,1369 225,1370 565.832,1371 241.929,1372 573.399,1373 826.17,1374 538,1375 8.569} {0 CHEMBL151519,1 1.481,2 16.816,3 4.934,4 24.342,5 143.913,6 7.577,7 0.548,8 4.295,9 4.4,10 3.874,11 3.886,12 5.436,13 3.863,14 4.792,15 4.94,16 4.174,17 4.243,18 5.953,19 4.187,20 5.046,21 5.256,22 4.187,23 4.35,24 6.08,25 4.264,26 5.072,27 5.278,28 4.191,29 4.346,30 6.128,31 4.26,32 5.085,33 5.298,34 4.145,35 4.359,36 6.084,37 4.261,38 5.092,39 5.318,40 4.124,41 4.329,42 6.114,43 4.228,44 5.037,45 5.264,46 4.078,47 4.246,48 6.085,49 4.157,50 4.934,51 5.141,52 4.092,53 4.192,54 6.009,55 4.125,56 0.035,57 0.9,58 12.831,59 6.268,60 13.091,61 7.765,62 0.285,63 1.449,64 23.155,65 10.262,66 49.755,67 13.322,68 0.351,69 1.794,70 33.625,71 13.555,72 66.144,73 18.058,74 0.465,75 1.816,76 34.793,77 13.677,78 73.346,79 18.047,80 0.355,81 1.855,82 35.328,83 13.904,84 66.911,85 18.411,86 0.306,87 1.872,88 36.019,89 13.96,90 62.806,91 18.856,92 0.371,93 1.737,94 34.871,95 13.031,96 67.447,97 17.312,98 0.261,99 1.592,100 30.221,101 11.596,102 52.276,103 15.229,104 16,105 57,106 0.231,107 0.58,108 0.75,109 0.851,110 0.885,111 0.885,112 3.667,113 0.916,114 -5.07,115 -4.97,116 -4.65,118 46.3,120 5,121 1,126 1,133 1,134 1,140 11,141 4,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 23,169 1,171 1,172 5,175 2,177 3,180 26,181 1,185 1,186 7,189 1,191 2,194 24,195 1,197 1,198 9,201 1,203 3,206 19,207 1,210 10,215 4,218 16,219 1,222 13,227 4,229 12,230 1,234 14,239 3,242 10,243 2,247 13,252 3,255 9,256 3,258 2,259 11,260 1,264 4,267 9,268 3,270 3160,271 26.12,272 26.12,273 26.12,274 26.12,275 26.12,276 22.931,277 16.106,278 15.838,279 26.271,280 20.795,281 20.795,282 20.795,283 20.795,284 20.795,285 16.058,286 15.182,287 7.592,288 21.028,289 4.585,290 2.346,291 1.253,292 0.602,293 0.388,294 0.388,295 4.368,300 1,301 1390,302 4.359,303 82.787,305 126.751,306 447.129,313 2.677,314 36.134,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 81.5,326 639,327 4.414,328 3.606,329 6.668,330 4.175,331 3.187,332 4.063,333 2.341,334 10.826,335 3.149,336 4.331,337 3.596,338 6.502,339 4.034,340 3.039,341 3.891,342 1.058,343 10.188,344 3.025,345 4.254,346 3.301,347 6.246,348 3.913,349 2.929,350 3.625,352 9.409,353 2.878,354 3.947,355 3.043,356 5.909,357 3.587,358 2.587,359 3.448,361 8.203,362 2.581,363 3.651,364 2.828,365 5.25,366 3.24,367 2.238,368 3.071,370 6.424,371 2.222,372 3.55,373 2.296,374 5.224,375 3.226,376 2.234,377 2.792,379 6.308,380 2.209,381 3.533,382 2.252,383 4.659,384 3.162,385 2.17,386 2.71,388 5.184,389 2.152,390 3.242,391 2.032,392 4.526,393 2.771,394 1.78,395 2.493,397 4.587,398 1.76,399 2.976,400 1.89,401 4.167,402 2.61,403 1.612,404 2.126,406 3.821,407 1.603,408 2.792,409 1.533,410 3.964,411 2.441,412 1.462,413 1.9,415 3.216,416 1.429,417 2.756,418 1.516,419 3.659,420 2.364,421 1.368,422 1.793,424 3.093,425 1.36,426 2.5,427 1.307,428 3.631,429 2.062,430 1.07,431 1.5,433 2.726,434 1.058,435 2.5,436 1.173,437 3.414,438 2,439 1,440 1.5,442 2.325,443 1,444 2.5,445 1,446 3.392,447 2,448 1,449 1.5,451 2.275,452 1,453 2.479,454 1,455 3.278,456 1.956,457 1,458 1.424,460 2.136,461 0.953,462 18.033,463 0.475,464 0.763,465 0.02,466 50.25,467 1.322,468 26.5,469 0.697,470 23.75,471 0.625,472 31.837,473 0.838,474 39.567,475 0.591,476 40.556,477 1.067,478 9.849,479 0.259,480 8.732,481 0.23,482 0.055,484 0.305,487 0.753,488 1.12,489 0.772,490 0.99,491 0.643,492 0.901,493 0.591,494 1.173,495 0.926,496 1.119,497 0.476,498 1.082,499 0.801,500 0.954,501 0.923,502 0.963,503 0.842,504 0.963,505 0.911,506 1.027,507 0.992,508 1.008,509 0.938,510 1.013,511 0.977,512 1.041,513 1.05,514 1.012,515 0.942,516 1.037,517 0.864,518 1.057,519 0.997,520 1.043,521 0.778,522 1.036,523 1.084,524 0.98,525 0.977,526 0.942,527 1.003,528 0.94,529 1.054,530 1.069,531 0.948,532 1.013,533 0.955,534 0.967,535 6,536 0.238,537 4.111,538 2.069,539 1.479,540 0.945,541 0.672,542 0.448,543 0.435,544 0.355,545 26924,546 71315,547 2.129,548 43.3,549 6,550 13,551 1,552 2,553 2,554 2,555 3,558 1.785,559 2.036,560 3.986,561 0.097,567 99.212,568 1.481,569 3.72,570 4.813,571 5.464,572 5.678,573 5.678,574 3.507,575 4.682,576 5.213,577 4.208,578 2958.08,579 9.172,580 53005,585 406.428,586 1.226,587 5.198,588 0.143,589 0.006,590 0.076,591 0.038,592 0.028,593 0.019,594 0.014,595 0.01,596 0.009,597 0.008,598 0.349,599 0.17,600 0.63,601 1.256,602 216.349,603 -0.047,604 -0.03,605 0.035,606 0.024,607 -0.038,608 0.039,609 0.169,610 -0.111,611 -0.057,612 -0.123,613 0.156,614 -0.128,615 0.01,616 0.044,617 0.029,618 0.032,619 -0.017,620 0.032,621 0.034,622 -0.035,623 -0.025,624 -0.02,625 -0.044,626 -0.03,627 -0.109,628 -0.046,629 -0.087,630 -0.023,631 -0.121,632 -0.048,633 -0.049,634 -0.06,635 -0.025,636 -0.059,637 -0.014,638 -0.039,639 -0.091,640 0.003,641 0.024,642 0.037,643 -0.051,644 0.048,645 -0.065,646 -0.061,647 0.028,648 -0.036,649 -0.056,650 0.005,651 2.437,652 5.722,653 0.684,654 57.911,655 1.002,656 1.115,657 3.84,658 14.742,659 0.683,660 3.761,661 4.06,662 4.29,663 4.522,664 4.71,665 4.779,666 4.927,667 5.063,668 5.187,669 5.288,670 9.663,671 0.653,672 507.63,673 3.761,674 5.293,675 6.138,676 7.006,677 7.871,678 8.749,679 9.625,680 10.509,681 11.392,682 12.28,683 4.5,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,724 67,726 26,727 2,728 42,730 71,731 31,733 20,734 3,735 9,736 3,739 5,740 5,748 2,749 1,751 6,753 24,754 7,755 1,756 3,761 2,763 1,765 3,772 29,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,799 1,801 1,802 3,818 1,822 1,823 1,830 1,832 5,840 38,845 1,846 5,847 1,850 2,862 6,864 1,865 2,867 1,869 18.667,870 11.767,871 8.417,872 4.151,874 3.999,875 1.476,876 0.977,877 8.108,878 12.397,879 4.052,880 4.603,881 5.134,882 5.672,883 6.14,884 6.369,885 6.785,886 7.149,887 7.525,888 7.887,889 1,890 54,891 14.065,893 6.031,894 7.794,895 26.878,897 22.364,899 2.294,900 87.167,904 317.82,905 185.541,906 51.582,908 102.481,911 185.541,912 420.3,913 51.582,915 30.683,916 125.454,917 160.721,918 46.287,919 11.771,920 282.506,922 317.82,923 237.123,924 102.481,927 282.506,928 137.794,931 56.555,932 137.521,933 43.047,935 317.82,936 154.062,937 185.541,940 317.82,941 41.992,942 143.549,943 18.011,944 136.052,945 317.82,946 154.062,947 185.541,949 0.571,950 0.317,951 0.169,952 0.09,953 26,954 11,955 0.155,956 11,958 1,959 5.083,960 353.994,962 26,963 188.666,968 25.629,969 12.021,970 6.859,972 154.062,973 26.862,974 8.673,976 5.637,978 4.65,980 60.694,981 657.423,982 56.5,987 23.506,989 2.127,991 0.03,994 67.101,995 74.73,996 0.244,997 0.613,998 0.793,999 0.901,1000 0.936,1001 0.936,1002 5.272,1003 1.78,1004 6.098,1005 5.184,1006 4.745,1007 5.291,1008 2.468,1009 6.884,1010 4.723,1011 6.462,1012 1.612,1013 7.639,1014 4.587,1015 4.29,1016 4.913,1017 2.243,1018 7.832,1019 4.269,1020 7.753,1021 1.462,1022 9.287,1023 3.821,1024 6.333,1025 7.401,1026 3.693,1027 10.896,1028 6.291,1029 9.078,1030 1.368,1031 11.003,1032 3.216,1033 6.735,1034 7.854,1035 4.112,1036 12.696,1037 6.69,1038 10.436,1039 1.07,1040 12.762,1041 3.093,1042 8.225,1043 9.783,1044 5.217,1045 15.281,1046 8.163,1047 11.816,1048 1,1049 14.551,1050 2.726,1051 9.014,1052 10.639,1053 5.889,1054 17.403,1055 8.946,1056 13.214,1057 1,1058 16.361,1059 2.325,1060 10.284,1061 12.309,1062 6.852,1063 19.832,1064 10.202,1065 3.187,1066 1,1067 18.185,1068 2.275,1069 11.256,1070 13.386,1071 7.625,1072 22.084,1073 11.165,1074 3.039,1075 10.826,1076 20.02,1077 2.136,1078 12.436,1079 14.921,1080 8.526,1081 24.459,1082 12.333,1083 2.929,1084 10.188,1085 21.863,1086 4.063,1087 13.493,1088 16.123,1089 9.342,1090 26.767,1091 13.38,1092 2.587,1093 9.409,1094 23.713,1095 3.891,1096 14.639,1097 17.585,1098 10.216,1099 29.125,1100 14.514,1101 2.238,1102 8.203,1103 25.567,1104 3.625,1105 15.735,1106 18.861,1107 11.051,1108 31.459,1109 15.6,1110 2.234,1111 6.424,1112 27.425,1113 3.448,1114 16.87,1115 20.284,1116 11.912,1117 33.814,1118 16.724,1119 2.17,1120 6.308,1121 29.287,1122 3.071,1123 17.986,1124 21.603,1125 12.755,1126 36.16,1127 17.829,1128 25211,1129 41170,1130 28.72,1131 45.733,1132 63.189,1133 64.03,1134 62.855,1135 62.072,1136 62.087,1137 81.918,1138 6.798,1139 172.726,1140 61.393,1141 5.357,1142 5.606,1143 6.47,1144 5.232,1145 5.187,1146 7.063,1147 3.925,1148 17.709,1149 5.149,1150 15.431,1151 1.504,1152 1.525,1153 1.497,1154 1.478,1155 1.478,1156 1.95,1157 0.162,1158 4.113,1159 1.462,1160 4.07,1161 4.099,1162 4.019,1163 3.987,1164 7.474,1165 3.988,1166 3.995,1167 4.024,1168 3.929,1169 3.934,1170 7.429,1171 3.929,1172 3.885,1173 3.91,1174 3.843,1175 3.757,1176 6.351,1177 3.77,1178 3.743,1179 3.784,1180 3.678,1181 3.625,1182 5.149,1183 3.632,1184 3.723,1185 3.769,1186 3.6,1187 3.588,1188 4.916,1189 3.58,1190 3.659,1191 3.696,1192 3.568,1193 3.525,1194 4.763,1195 3.537,1196 3.452,1197 3.486,1198 3.352,1199 3.292,1200 4.661,1201 3.298,1202 3.185,1203 3.207,1204 3.12,1205 2.989,1206 4.291,1207 3.007,1208 0.105,1209 0.086,1210 0.159,1211 0.099,1212 0.076,1213 4.414,1214 0.097,1215 3.606,1216 0.056,1217 6.668,1218 0.258,1219 4.175,1220 0.075,1221 3.187,1222 4.063,1223 2.341,1224 10.826,1225 3.149,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.896,1233 1.869,1234 2.021,1235 1.972,1236 1.163,1237 1.99,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.152,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 0.964,1249 1.899,1250 1.531,1251 1.504,1252 1.644,1253 1.763,1254 0.835,1255 1.721,1256 1.431,1257 1.396,1258 1.626,1259 1.632,1260 0.829,1261 1.628,1262 1.187,1263 1.168,1264 1.449,1265 1.464,1266 0.705,1267 1.421,1268 1.159,1269 1.106,1270 1.366,1271 1.369,1272 0.504,1273 1.379,1274 4.443,1275 1.946,1276 5.746,1277 4.111,1278 7.239,1279 6.107,1280 8.819,1281 8.028,1282 10.448,1289 8.866,1290 3.3,1291 3.053,1294 0.462,1300 43.772,1301 99.212,1302 249.242,1303 322.5,1304 366.063,1305 380.428,1306 380.428,1307 74.411,1308 8.398,1309 105.32,1310 105.32,1311 26,1312 12.812,1313 4.755,1314 3.954,1315 59.337,1316 221,1317 219,1318 0.128,1319 266.55,1320 470.66,1321 642.143,1322 63017,1324 26.321,1325 0.693,1326 0.55,1327 26.321,1328 20.917,1329 18.581,1330 0.442,1331 0.305,1332 12.704,1333 18.047,1334 12.476,1335 10.325,1336 18.581,1337 12.828,1338 16.373,1339 0.287,1340 0.166,1341 16.373,1342 9.447,1343 13.153,1344 0.183,1345 0.09,1346 13.153,1347 6.444,1348 10.747,1349 0.118,1350 0.049,1351 10.747,1352 4.424,1353 8.422,1354 0.077,1355 0.027,1356 8.422,1357 2.931,1358 0.208,1359 115.44,1360 0.187,1361 35.394,1362 0.329,1363 198,1364 568.979,1365 213.791,1366 552.262,1367 750.61,1368 516,1369 231,1370 546.568,1371 245.771,1372 554.172,1373 805.96,1374 523,1375 8.15} {0 CHEMBL15165,1 1.454,2 9.765,3 1.638,4 2.684,5 66.847,6 6.696,7 0.556,8 3.644,9 3.809,10 3.126,11 3.057,12 4.677,13 3.03,14 4.187,15 4.421,16 3.325,17 3.418,18 5.086,19 3.334,20 4.37,21 4.674,22 2.987,23 3.436,24 5.006,25 3.249,26 4.35,27 4.665,28 2.929,29 3.368,30 4.999,31 3.183,32 4.262,33 4.579,34 2.854,35 3.267,36 4.928,37 3.088,38 4.137,39 4.452,40 2.773,41 3.141,42 4.835,43 2.976,44 3.995,45 4.305,46 2.683,47 2.997,48 4.733,49 2.849,50 3.829,51 4.134,52 2.586,53 2.828,54 4.619,55 2.704,56 0.094,57 0.54,58 8.415,59 2.734,60 9.202,61 4.35,62 0.207,63 0.761,64 15.068,65 4.428,66 15.125,67 7.292,68 0.166,69 0.712,70 18.294,71 5.593,72 13.989,73 9.259,74 0.196,75 0.671,76 18.139,77 5.055,78 15.922,79 8.686,80 0.189,81 0.609,82 16.658,83 4.435,84 15.403,85 7.778,86 0.176,87 0.542,88 14.727,89 3.702,90 14.374,91 6.669,92 0.163,93 0.476,94 12.797,95 2.97,96 13.345,97 5.561,98 0.15,99 0.409,100 10.867,101 2.237,102 12.393,103 4.452,105 21,106 0.271,107 0.586,108 0.734,109 0.832,110 0.883,111 0.883,112 2.903,113 1.022,114 -3.56,115 -3.53,116 -3.37,118 31.4,120 6,124 1,143 1,147 1,149 1,156 1,162 1,165 2,168 5,171 3,172 3,175 1,180 4,186 4,191 1,194 3,198 5,203 1,206 2,210 5,215 1,218 1,222 5,227 1,234 5,239 1,247 2,252 1,258 2,259 1,270 332,271 11.949,272 11.949,273 11.949,274 11.949,275 11.949,276 10.707,277 8.381,278 7.805,279 12.211,280 8.949,281 8.949,282 8.949,283 8.949,284 8.949,285 7.195,286 3.971,287 3.79,288 9.359,289 3.675,290 1.99,291 1.199,292 0.672,293 0.4,294 0.4,295 3.566,299 1,300 1,301 352,302 2.828,305 111.575,313 1.689,314 7.043,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 37,326 166,327 3.921,328 2.734,329 5.353,330 3.495,331 2.545,332 3.479,334 6.998,335 2.419,336 3.919,337 2.646,338 5.352,339 3.458,340 2.54,341 3.478,343 6.997,344 2.328,345 2.886,346 1.826,347 3.862,348 2.818,349 1.824,350 1.919,352 3.688,353 1.813,354 2.73,355 1.536,356 3.611,357 2.469,358 1.485,359 1.792,361 3.077,362 1.462,363 2.579,364 1.339,365 3.414,366 2.218,367 1.252,368 1.599,370 2.657,371 1.208,372 2.211,373 1.035,374 3.133,375 1.964,376 1,377 1.176,379 2.121,380 0.962,381 2.118,382 0.618,383 3,384 1.591,385 0.618,386 0.927,388 1.372,389 0.6,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.626,400 0.503,401 2.708,402 1.476,403 0.501,404 0.553,406 1.065,407 0.488,408 0.977,409 -0.063,410 2.25,411 0.844,412 -0.131,413 -0.142,415 -0.287,416 -0.127,417 0.401,418 -0.569,419 1.725,420 0.241,421 -0.729,422 -0.795,424 -1.655,425 -0.704,426 0.051,427 -1.036,428 1.126,429 -0.214,430 -1.184,431 -1.314,433 -2.611,434 -1.147,435 -0.118,436 -1.443,437 1,438 -0.5,439 -1.477,440 -1.671,442 -3.025,443 -1.436,444 -0.118,445 -1.618,446 1,447 -0.691,448 -1.618,449 -1.904,451 -3.526,452 -1.483,453 -0.157,454 -1.618,455 0.586,456 -0.702,457 -1.618,458 -2.427,460 -4.372,461 -1.5,462 7.9,463 0.465,464 0.137,465 0.008,466 18.75,467 1.103,468 8,469 0.471,470 10.75,471 0.632,472 12.912,473 0.76,474 19.7,475 0.563,476 8.94,477 0.526,478 3.418,479 0.201,480 5.032,481 0.296,484 0.114,487 0.627,488 1.481,489 0.877,490 1.364,491 0.459,492 1.186,493 0.812,494 1.16,495 1.044,496 1.237,497 0.665,498 1.185,499 0.679,500 0.985,501 0.958,502 1.125,503 0.715,504 1.091,505 0.823,506 0.911,507 0.965,508 1.011,509 0.851,510 1.011,511 0.888,512 0.903,513 0.964,514 0.97,515 0.919,516 0.979,517 0.998,518 0.923,519 0.994,520 0.951,521 1.033,522 0.97,523 1.144,524 0.949,525 1.035,526 0.925,527 1.184,528 0.958,529 1.349,530 0.985,531 1.091,532 0.889,533 1.393,534 0.941,535 1.5,536 0.026,537 0.667,538 0.319,539 0.17,540 0.104,541 0.07,542 0.05,543 0.013,544 0.049,545 3168,546 8342,547 2.098,548 51.4,549 8,550 2,551 1,552 2,553 1,554 2,555 2,558 1.553,559 2.082,560 3.288,561 -0.141,563 1,564 1,565 1,567 50.903,568 1.454,569 3.139,570 3.93,571 4.458,572 4.729,573 4.729,574 2.676,575 2.676,576 4.065,577 3.473,578 472.367,579 6.788,580 4819.39,582 1,584 1,585 179.525,586 0.523,587 4.072,588 0.083,589 0.003,590 0.032,591 0.023,592 0.013,593 0.009,594 0.006,595 0.005,596 0.001,597 0.006,598 0.182,599 0.5,600 1,602 74.956,603 0.321,604 -0.059,605 0.083,606 -0.129,607 0.419,608 -0.07,609 0.138,610 0.025,611 -0.083,612 -0.14,613 0.201,614 -0.147,615 -0.012,616 -0.068,617 -0.037,618 -0.069,619 -0.032,620 -0.058,621 -0.061,622 -0.03,623 -0.027,624 -0.01,625 -0.074,626 -0.013,627 -0.079,628 -0.03,629 -0.018,630 0.008,631 -0.097,632 0.005,633 -0.122,634 -0.038,635 -0.038,636 0.008,637 -0.148,639 -0.178,640 -0.049,641 -0.064,642 0.007,643 -0.215,644 -0.008,645 -0.256,646 -0.064,647 -0.1,648 0.006,649 -0.306,650 -0.018,651 0.844,652 1.019,653 0.588,654 13.619,655 0.997,656 1.157,657 2.33,658 5.43,659 0.617,660 2.944,661 3.091,662 3.219,663 3.332,664 3.045,665 2.996,666 2.944,667 2.89,668 2.833,669 2.833,670 6.178,671 0.58,672 234.35,673 2.944,674 4.369,675 5.13,676 5.905,677 6.676,678 7.455,679 8.229,680 9.01,681 9.785,682 10.566,683 17.1,691 2,693 4,699 3,700 4,701 1,704 1,705 1,706 10,724 35,726 10,728 18,730 36,731 11,733 4,739 2,740 2,751 6,753 4,754 7,769 1,772 18,773 4,774 1,775 6,778 1,779 6,784 1,801 2,832 2,840 17,846 7,869 8.167,870 6,871 4,872 2.343,874 1.4,875 1.248,876 0.936,877 5.012,878 7.056,879 3.178,880 3.597,881 4.021,882 4.444,883 3.984,884 3.966,885 3.946,886 3.927,887 3.907,888 3.966,889 1,890 14,891 6.237,893 2.435,894 7.539,895 12.26,897 9.484,899 2.039,900 34.667,901 0.003,904 200.109,905 46.354,906 85.092,911 46.354,912 200.109,913 85.092,915 17.313,916 9.047,917 98.813,918 29.815,919 11.771,920 164.795,922 200.109,923 131.446,927 178.894,928 23.542,931 53.418,932 9.047,933 66.652,935 200.109,936 85.092,937 46.354,940 200.109,941 19.641,942 28.613,943 16.54,944 66.652,945 200.109,946 85.092,947 46.354,949 0.535,950 0.291,951 0.153,952 0.055,953 8,954 2,955 0.222,956 8,958 1,959 3.325,960 97.944,962 10,963 69.487,968 12.09,969 7.048,970 4.553,972 66.652,973 5.706,974 15.387,975 2.487,978 0.823,979 2.124,980 16.54,981 331.555,982 23,994 34.912,995 40.481,996 0.284,997 0.612,998 0.766,999 0.869,1000 0.922,1001 0.922,1002 4.297,1003 0.618,1004 4.977,1005 1.372,1006 3.761,1007 4.277,1009 5.533,1010 3.672,1011 5.379,1012 0.501,1013 6.358,1014 1.372,1015 2.565,1016 3.332,1018 5.784,1019 2.326,1020 6.573,1021 -0.131,1022 7.832,1023 1.065,1024 5.094,1025 6.236,1027 8.88,1028 4.892,1029 7.811,1030 -0.729,1031 9.37,1032 -0.287,1033 4.949,1034 6.456,1036 10.156,1037 4.567,1038 9.089,1039 -1.184,1040 10.953,1041 -1.655,1042 6.661,1043 8.461,1045 12.537,1046 6.327,1047 10.394,1048 -1.477,1049 12.566,1050 -2.611,1051 7.022,1052 9.194,1054 14.205,1055 6.511,1056 11.718,1057 -1.618,1058 14.201,1059 -3.025,1060 8.361,1061 10.817,1063 16.33,1064 7.884,1065 2.545,1066 -1.618,1067 15.85,1068 -3.526,1069 8.983,1070 11.799,1072 18.158,1073 8.347,1074 2.54,1075 6.998,1076 17.508,1077 -4.372,1078 10.136,1079 13.238,1081 20.18,1082 9.515,1083 1.824,1084 6.997,1085 19.173,1086 3.479,1087 10.897,1088 14.347,1090 22.074,1091 10.136,1092 1.485,1093 3.688,1094 20.842,1095 3.478,1096 11.953,1097 15.694,1099 24.053,1100 11.188,1101 1.252,1102 3.077,1103 22.514,1104 1.919,1105 12.789,1106 16.868,1108 25.977,1109 11.904,1110 1,1111 2.657,1112 24.187,1113 1.792,1114 13.792,1115 18.168,1117 27.937,1118 12.888,1119 0.618,1120 2.121,1121 25.862,1122 1.599,1123 14.669,1124 19.376,1126 29.872,1127 13.661,1128 3084,1129 5128,1130 12.594,1131 21.603,1132 25.216,1133 24.63,1134 24.864,1135 24.789,1136 24.764,1137 31.7,1139 58.692,1140 23.709,1141 4.863,1142 4.663,1143 5.221,1144 4.526,1145 4.545,1146 6.065,1148 11.768,1149 4.384,1151 1.401,1152 1.368,1153 1.381,1154 1.377,1155 1.376,1156 1.761,1158 3.261,1159 1.317,1160 3.944,1161 4.014,1162 3.871,1163 3.75,1164 5.257,1165 3.766,1166 3.852,1167 3.941,1168 3.801,1169 3.63,1170 4.953,1171 3.645,1172 3.663,1173 3.742,1174 3.519,1175 3.44,1176 4.161,1177 3.461,1178 3.387,1179 3.474,1180 3.209,1181 3.166,1182 3.918,1183 3.176,1184 3.047,1185 3.148,1186 2.834,1187 2.816,1188 3.747,1189 2.812,1190 2.694,1191 2.812,1192 2.453,1193 2.44,1194 3.638,1195 2.426,1196 2.479,1197 2.583,1198 2.262,1199 2.28,1200 3.382,1201 2.262,1202 2.362,1203 2.499,1204 2.118,1205 2.051,1206 3.302,1207 2.04,1208 0.218,1209 0.152,1210 0.297,1211 0.194,1212 0.141,1213 3.921,1214 0.193,1215 2.734,1217 5.353,1218 0.389,1219 3.495,1220 0.134,1221 2.545,1222 3.479,1224 6.998,1225 2.419,1226 1.802,1227 1.74,1228 2.04,1229 1.973,1230 1.397,1231 1.997,1232 1.643,1233 1.575,1234 1.868,1235 1.847,1236 1.182,1237 1.856,1238 1.421,1239 1.352,1240 1.641,1241 1.654,1242 0.881,1243 1.646,1244 1.296,1245 1.225,1246 1.489,1247 1.594,1248 0.592,1249 1.523,1250 1.131,1251 1.041,1252 1.371,1253 1.525,1254 0.416,1255 1.508,1256 1.058,1257 0.92,1258 1.237,1259 1.365,1260 0.263,1261 1.37,1262 0.803,1263 0.702,1264 1.133,1265 1.094,1266 0.08,1267 1.114,1268 0.498,1269 0.369,1270 0.919,1271 0.836,1273 0.878,1274 3.611,1276 4.796,1277 3.045,1278 6.125,1279 5.13,1280 7.522,1281 6.952,1282 8.961,1290 8.14,1300 20.289,1301 50.903,1302 109.857,1303 137.551,1304 156.015,1305 165.525,1306 165.525,1307 18.877,1308 5.656,1309 72.28,1310 72.28,1311 10,1312 11.18,1313 3.459,1314 2.585,1315 28.989,1316 64,1317 40,1318 0.213,1319 130.556,1320 207.78,1321 310.316,1322 1948,1324 11.761,1325 0.692,1326 0.583,1327 11.761,1328 9.918,1329 8.449,1330 0.469,1331 0.341,1332 6.028,1333 7.998,1334 5.949,1335 4.998,1336 8.449,1337 6.13,1338 6.646,1339 0.316,1340 0.197,1341 6.646,1342 4.146,1343 5.174,1344 0.216,1345 0.115,1346 5.174,1347 2.765,1348 3.994,1349 0.148,1350 0.067,1351 3.994,1352 1.815,1353 2.087,1354 0.104,1355 0.051,1356 2.087,1357 1.029,1358 0.357,1359 53.718,1360 0.282,1361 18.358,1362 0.523,1363 78,1364 232.558,1365 87.908,1366 226.211,1367 308.03,1368 212,1369 84,1370 233.224,1371 94.685,1372 231.777,1373 322.45,1374 216,1375 5.678} {0 CHEMBL15166,1 1.357,2 9.765,3 1.676,4 2.808,5 69.162,6 6.28,7 0.556,8 3.675,9 3.83,10 3.107,11 3.13,12 4.62,13 3.084,14 4.239,15 4.475,16 3.307,17 3.498,18 5.058,19 3.4,20 4.444,21 4.744,22 2.996,23 3.538,24 5.043,25 3.331,26 4.428,27 4.748,28 2.92,29 3.465,30 5.009,31 3.251,32 4.324,33 4.641,34 2.843,35 3.363,36 4.924,37 3.156,38 4.207,39 4.522,40 2.76,41 3.25,42 4.83,43 3.051,44 4.075,45 4.387,46 2.67,47 3.121,48 4.727,49 2.934,50 3.923,51 4.231,52 2.573,53 2.981,54 4.615,55 2.806,56 0.039,57 0.56,58 9.078,59 2.959,60 7.771,61 4.864,62 0.201,63 0.837,64 16.228,65 4.813,66 13.631,67 7.947,68 0.149,69 0.84,70 19.144,71 6.62,72 12.718,73 10.401,74 0.156,75 0.789,76 18.816,77 6.287,78 13.56,79 10.011,80 0.146,81 0.715,82 16.981,83 5.542,84 12.716,85 8.911,86 0.135,87 0.641,88 15.145,89 4.797,90 11.871,91 7.811,92 0.125,93 0.567,94 13.31,95 4.051,96 11.027,97 6.711,98 0.14,99 0.494,100 11.503,101 3.447,102 10.433,103 5.669,105 21,106 0.25,107 0.5,108 0.631,109 0.694,110 0.721,111 0.721,112 2.903,113 1.061,114 -3.24,115 -3.23,116 -3.1,118 35.1,120 5,124 2,143 2,149 2,156 2,168 4,171 2,172 2,180 3,186 2,194 2,198 4,206 1,210 4,222 4,234 2,246 1,247 2,270 332,271 11.949,272 11.949,273 11.949,274 11.949,275 11.949,276 10.707,277 9.487,278 7.805,279 12.319,280 8.949,281 8.949,282 8.949,283 8.949,284 8.949,285 7.195,286 5,287 3.79,288 9.523,289 3.853,290 2.498,291 1.783,292 1.446,293 1.297,294 1.297,295 3.566,299 1,300 1,301 352,302 2.828,305 111.575,313 1.689,314 4.818,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 36,326 166,327 3.921,328 2.648,329 5.353,330 3.461,331 2.545,332 3.479,334 6.998,335 2.333,336 3.919,337 2.644,338 5.352,339 3.455,340 2.54,341 3.478,343 6.997,344 2.323,345 2.886,346 1.825,347 3.862,348 2.815,349 1.824,350 1.919,352 3.688,353 1.807,354 2.73,355 1.521,356 3.611,357 2.452,358 1.485,359 1.792,361 3.077,362 1.434,363 2.579,364 1.317,365 3.414,366 2.187,367 1.252,368 1.599,370 2.657,371 1.168,372 2.211,373 1.026,374 3.133,375 1.945,376 1,377 1.176,379 2.121,380 0.943,381 2.118,382 0.618,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.626,400 0.502,401 2.708,402 1.47,403 0.501,404 0.553,406 1.065,407 0.484,408 0.977,409 -0.082,410 2.25,411 0.835,412 -0.131,413 -0.142,415 -0.287,416 -0.126,417 0.401,418 -0.613,419 1.725,420 0.221,421 -0.729,422 -0.795,424 -1.655,425 -0.689,426 0.051,427 -1.071,428 1.126,429 -0.241,430 -1.184,431 -1.314,433 -2.611,434 -1.116,435 -0.118,436 -1.451,437 1,438 -0.521,439 -1.477,440 -1.671,442 -3.025,443 -1.404,444 -0.118,445 -1.618,446 1,447 -0.701,448 -1.618,449 -1.904,451 -3.526,452 -1.474,453 -0.157,454 -1.618,455 0.586,456 -0.705,457 -1.618,458 -2.427,460 -4.372,461 -1.483,462 8.1,463 0.476,464 0.137,465 0.008,466 19.5,467 1.147,468 8,469 0.471,470 11.5,471 0.676,472 12.492,473 0.735,474 19.5,475 0.527,476 9.36,477 0.551,478 3.544,479 0.208,480 4.906,481 0.289,484 0.099,487 0.942,488 1.852,489 0.954,490 1.423,491 0.589,492 1.225,493 1.334,494 1.089,495 1.179,496 1.077,497 0.929,498 1.106,499 0.778,500 0.992,501 1.04,502 1.109,503 0.772,504 1.105,505 0.761,506 0.881,507 0.929,508 0.964,509 0.809,510 0.965,511 0.829,512 0.891,513 0.944,514 0.958,515 0.882,516 0.963,517 0.916,518 0.905,519 0.964,520 0.951,521 0.973,522 0.961,523 1.028,524 0.922,525 0.99,526 0.941,527 1.093,528 0.958,529 1.069,530 0.808,531 1.022,532 0.895,533 1.238,534 0.945,535 1.5,536 0.026,537 0.667,538 0.319,539 0.17,540 0.104,541 0.07,542 0.05,543 0.013,544 0.049,545 3168,546 7122,547 2.098,548 54.1,549 6,550 4,551 2,552 4,555 4,558 1.553,559 2.082,560 3.288,561 -0.75,563 1,564 1,565 1,567 50.205,568 1.357,569 2.712,570 3.426,571 3.763,572 3.912,573 3.912,574 2.676,575 2.676,576 4.065,577 3.473,578 472.367,579 6.788,580 4819.39,581 1,582 1,584 1,585 192.75,586 0.523,587 4.072,588 0.083,589 0.003,590 0.032,591 0.023,592 0.013,593 0.009,594 0.006,595 0.005,596 0.001,597 0.006,598 0.182,599 0.67,600 1,602 74.956,603 0.083,604 -0.513,605 0.081,606 -0.227,607 0.337,608 -0.096,609 -0.06,610 0.086,611 -0.146,612 -0.057,613 0.042,614 -0.103,615 -0.062,616 -0.062,617 -0.105,618 -0.098,619 -0.085,620 -0.106,621 -0.023,622 -0.005,623 0.003,624 0.008,625 -0.039,626 0.009,627 -0.042,628 -0.006,629 -0.006,630 0.007,631 -0.067,632 0.005,633 -0.065,634 -0.007,635 -0.016,636 0.006,637 -0.103,638 0.001,639 -0.096,640 -0.008,641 -0.031,642 0.004,643 -0.15,644 -0.004,645 -0.023,646 0.13,647 -0.047,648 0.036,649 -0.197,650 -0.002,651 0.401,652 1.033,653 0.588,654 13.619,655 0.986,656 1.144,657 2.007,658 4.027,659 0.625,660 2.944,661 3.091,662 3.219,663 3.332,664 3.045,665 2.996,666 2.944,667 2.89,668 2.833,669 2.833,670 6.178,671 0.576,672 232.37,673 2.944,674 4.369,675 5.13,676 5.905,677 6.676,678 7.455,679 8.229,680 9.01,681 9.785,682 10.566,683 10.8,691 2,693 2,699 6,700 2,705 2,706 10,724 37,726 10,728 18,730 38,731 13,733 6,739 2,740 2,751 5,753 6,754 7,769 1,772 20,773 2,775 4,778 2,779 4,784 1,801 2,832 2,840 17,846 7,869 8.167,870 6.3,871 4,872 2.456,874 1.4,875 1.248,876 0.944,877 5.139,878 7.056,879 3.178,880 3.597,881 4.021,882 4.444,883 3.984,884 3.966,885 3.946,886 3.927,887 3.907,888 3.966,889 1,890 14,891 6.272,893 2.446,894 7.412,895 12.527,897 9.788,899 1.912,900 32.5,901 0.005,904 235.422,905 70.311,906 37.369,911 70.311,912 235.422,913 37.369,915 16.884,916 18.095,917 97.893,918 21.893,919 23.542,920 164.795,922 235.422,923 107.68,927 188.338,928 47.084,931 56.014,932 18.095,933 33.571,935 235.422,936 37.369,937 70.311,940 235.422,941 16.884,942 57.225,944 33.571,945 235.422,946 37.369,947 70.311,949 0.535,950 0.291,951 0.153,952 0.055,953 8,954 2,955 0.211,956 8,958 1,959 3.325,960 97.944,962 10,963 53.487,968 12.217,969 7.152,970 4.635,972 33.571,973 11.506,974 8.067,979 4.289,981 343.102,982 23,994 36.476,995 42.315,996 0.26,997 0.521,998 0.658,999 0.722,1000 0.751,1001 0.751,1002 4.297,1003 0.618,1004 4.977,1005 1.372,1006 3.761,1007 4.277,1009 5.533,1010 3.638,1011 5.379,1012 0.501,1013 6.358,1014 1.372,1015 2.565,1016 3.332,1018 5.784,1019 2.277,1020 6.573,1021 -0.131,1022 7.832,1023 1.065,1024 5.094,1025 6.236,1027 8.88,1028 4.822,1029 7.811,1030 -0.729,1031 9.37,1032 -0.287,1033 4.949,1034 6.456,1036 10.156,1037 4.473,1038 9.089,1039 -1.184,1040 10.953,1041 -1.655,1042 6.661,1043 8.461,1045 12.537,1046 6.217,1047 10.394,1048 -1.477,1049 12.566,1050 -2.611,1051 7.022,1052 9.194,1054 14.205,1055 6.373,1056 11.718,1057 -1.618,1058 14.201,1059 -3.025,1060 8.361,1061 10.817,1063 16.33,1064 7.732,1065 2.545,1066 -1.618,1067 15.85,1068 -3.526,1069 8.983,1070 11.799,1072 18.158,1073 8.163,1074 2.54,1075 6.998,1076 17.508,1077 -4.372,1078 10.136,1079 13.238,1081 20.18,1082 9.317,1083 1.824,1084 6.997,1085 19.173,1086 3.479,1087 10.897,1088 14.347,1090 22.074,1091 9.906,1092 1.485,1093 3.688,1094 20.842,1095 3.478,1096 11.953,1097 15.694,1099 24.053,1100 10.943,1101 1.252,1102 3.077,1103 22.514,1104 1.919,1105 12.789,1106 16.868,1108 25.977,1109 11.627,1110 1,1111 2.657,1112 24.187,1113 1.792,1114 13.792,1115 18.168,1117 27.937,1118 12.594,1119 0.618,1120 2.121,1121 25.862,1122 1.599,1123 14.669,1124 19.376,1126 29.872,1127 13.335,1128 3084,1129 4702,1130 12.594,1131 23.114,1132 25.216,1133 24.641,1134 24.864,1135 24.786,1136 24.764,1137 31.7,1139 58.692,1140 23.293,1141 4.863,1142 4.588,1143 5.221,1144 4.504,1145 4.545,1146 6.065,1148 11.768,1149 4.271,1151 1.401,1152 1.369,1153 1.381,1154 1.377,1155 1.376,1156 1.761,1158 3.261,1159 1.294,1160 3.959,1161 4.029,1162 3.883,1163 3.768,1164 4.962,1165 3.783,1166 3.912,1167 3.983,1168 3.849,1169 3.7,1170 4.944,1171 3.728,1172 3.676,1173 3.744,1174 3.522,1175 3.528,1176 4.159,1177 3.523,1178 3.39,1179 3.468,1180 3.207,1181 3.237,1182 3.919,1183 3.22,1184 3.045,1185 3.142,1186 2.83,1187 2.854,1188 3.641,1189 2.833,1190 2.694,1191 2.81,1192 2.454,1193 2.459,1194 3.393,1195 2.438,1196 2.491,1197 2.593,1198 2.27,1199 2.302,1200 3.335,1201 2.282,1202 2.465,1203 2.568,1204 2.252,1205 2.259,1206 3.275,1207 2.242,1208 0.218,1209 0.147,1210 0.297,1211 0.192,1212 0.141,1213 3.921,1214 0.193,1215 2.648,1217 5.353,1218 0.389,1219 3.461,1220 0.13,1221 2.545,1222 3.479,1224 6.998,1225 2.333,1226 1.807,1227 1.743,1228 2.043,1229 1.984,1230 1.398,1231 2.005,1232 1.664,1233 1.593,1234 1.881,1235 1.886,1236 1.188,1237 1.886,1238 1.47,1239 1.399,1240 1.678,1241 1.696,1242 0.904,1243 1.698,1244 1.32,1245 1.256,1246 1.526,1247 1.529,1248 0.644,1249 1.527,1250 1.29,1251 1.219,1252 1.476,1253 1.525,1254 0.488,1255 1.513,1256 1.181,1257 1.097,1258 1.405,1259 1.432,1260 0.394,1261 1.444,1262 0.893,1263 0.796,1264 1.239,1265 1.148,1266 0.295,1267 1.192,1268 0.568,1269 0.443,1270 1.037,1271 0.872,1272 0.173,1273 0.938,1274 3.611,1276 4.796,1277 3.045,1278 6.125,1279 5.13,1280 7.522,1281 6.952,1282 8.961,1290 8.638,1300 21.3,1301 50.205,1302 100.327,1303 126.776,1304 139.24,1305 144.75,1306 144.75,1307 18.233,1308 5.656,1309 35.64,1310 35.64,1311 10,1312 11.18,1313 3.459,1314 2.585,1315 28.989,1316 64,1317 40,1318 0.213,1319 136.152,1320 220.38,1321 323.97,1322 1948,1324 11.761,1325 0.692,1326 0.6,1327 11.761,1328 10.203,1329 8.449,1330 0.469,1331 0.354,1332 6.274,1333 8.096,1334 6.168,1335 5.181,1336 8.449,1337 6.365,1338 6.646,1339 0.316,1340 0.208,1341 6.646,1342 4.369,1343 5.174,1344 0.216,1345 0.123,1346 5.174,1347 2.951,1348 3.994,1349 0.148,1350 0.072,1351 3.994,1352 1.957,1353 2.087,1354 0.104,1355 0.055,1356 2.087,1357 1.096,1358 0.357,1359 52.922,1360 0.282,1361 18.358,1362 0.523,1363 78,1364 196.58,1365 85.049,1366 192.62,1367 263.14,1368 182,1369 84,1370 191.859,1371 92.049,1372 195.517,1373 274.04,1374 182,1375 5.699} {0 CHEMBL15181,1 1.194,2 8.786,3 3.533,4 12.481,5 60.788,6 5.399,7 0.357,8 3.598,9 3.762,10 2.873,11 3.068,12 4.416,13 2.975,14 4.191,15 4.445,16 3.019,17 3.421,18 4.868,19 3.259,20 4.436,21 4.762,22 2.788,23 3.47,24 4.936,25 3.219,26 4.378,27 4.713,28 2.697,29 3.38,30 4.871,31 3.125,32 4.267,33 4.602,34 2.601,35 3.268,36 4.773,37 3.017,38 4.143,39 4.478,40 2.494,41 3.142,42 4.663,43 2.896,44 4.002,45 4.336,46 2.374,47 2.999,48 4.541,49 2.758,50 3.837,51 4.17,52 2.239,53 2.83,54 4.401,55 2.598,56 0.05,57 0.493,58 9.126,59 3.416,60 6.559,61 5.232,62 0.133,63 0.737,64 15.113,65 5.423,66 10.169,67 8.334,68 0.107,69 0.771,70 17.084,71 6.596,72 9.461,73 9.926,74 0.104,75 0.708,76 15.908,77 6.046,78 9.219,79 9.153,80 0.096,81 0.634,82 14.267,83 5.341,84 8.57,85 8.134,86 0.087,87 0.56,88 12.625,89 4.637,90 7.921,91 7.115,92 0.079,93 0.486,94 10.983,95 3.932,96 7.272,97 6.095,98 0.071,99 0.412,100 9.341,101 3.228,102 6.623,103 5.076,104 10,105 15,106 0.227,107 0.427,108 0.604,109 0.725,110 0.822,111 0.872,112 2.725,113 1.262,114 -4.9,115 -4.8,116 -4.51,118 33.3,119 1,120 7,124 1,143 1,149 1,156 1,168 7,171 1,172 1,180 6,186 1,194 5,198 2,206 4,210 2,218 3,222 2,229 2,234 2,242 1,247 2,259 2,270 198,271 9.803,272 9.803,273 9.803,274 9.803,275 9.803,276 9.182,277 4.743,278 6.687,279 9.988,280 6.932,281 6.932,282 6.932,283 6.932,284 6.932,285 6.055,286 2.5,287 3.217,288 7.219,289 3.976,290 2.92,291 1.991,292 1.354,293 0.841,294 0.577,295 3.353,299 1,300 1,301 244,302 2.915,305 45.046,313 1.531,314 2.97,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 29,326 123,327 3.92,328 2.646,329 5.352,330 3.458,331 2.542,332 3.479,334 6.997,335 2.328,336 2.903,337 1.883,338 3.884,339 2.881,340 1.883,341 1.919,343 3.746,344 1.878,345 2.716,346 1.594,347 3.613,348 2.573,349 1.583,350 1.756,352 3.128,353 1.566,354 2.47,355 1.315,356 3.339,357 2.227,358 1.27,359 1.468,361 2.559,362 1.213,363 2.118,364 0.935,365 3,366 1.899,367 0.927,368 0.993,370 1.746,371 0.899,372 2.015,373 0.618,374 2.92,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.443,382 0.391,383 2.41,384 1.374,385 0.388,386 0.405,388 0.682,389 0.382,390 0.839,391 -0.183,392 1.855,393 0.771,394 -0.212,395 -0.22,397 -0.372,398 -0.208,399 0.294,400 -0.717,401 1.256,402 0.194,403 -0.781,404 -0.814,406 -1.477,407 -0.758,408 -0.062,409 -1.186,410 1,411 -0.272,412 -1.24,413 -1.312,415 -2.494,416 -1.199,417 -0.118,418 -1.56,419 0.702,420 -0.587,421 -1.563,422 -1.676,424 -3.082,425 -1.47,426 -0.386,427 -1.618,428 0.396,429 -0.705,430 -1.618,431 -1.911,433 -3.684,434 -1.526,435 -0.721,436 -1.787,437 0.244,438 -0.845,439 -1.82,440 -2.427,442 -4.372,443 -1.753,444 -0.932,445 -1.931,446 0.029,447 -1.022,448 -1.979,449 -2.585,451 -4.749,452 -1.93,462 6.8,463 0.486,464 0.068,465 0.005,466 12.25,467 0.875,468 4,469 0.286,470 8.25,471 0.589,472 12.411,473 0.886,474 17.2,475 0.478,476 4.559,477 0.326,478 1.772,479 0.127,480 5.16,481 0.369,482 0.074,484 0.059,487 0.984,488 1.75,489 1.189,490 1.491,491 0.795,492 1.377,493 1.255,494 1.237,495 1.253,496 1.245,497 0.915,498 1.248,499 0.734,500 0.969,501 0.969,502 1.022,503 0.714,504 1.014,505 0.743,506 0.909,507 0.912,508 0.948,509 0.764,510 0.943,511 0.8,512 0.913,513 0.918,514 0.942,515 0.825,516 0.939,517 0.873,518 0.917,519 0.926,520 0.934,521 0.902,522 0.934,523 0.97,524 0.923,525 0.937,526 0.923,527 1.005,528 0.927,529 1.102,530 0.931,531 0.952,532 0.908,533 1.145,534 0.917,535 1,536 0.02,537 0.444,538 0.222,539 0.125,540 0.08,541 0.056,542 0.041,543 0.031,544 0.025,545 1575,546 2536,547 1.959,548 61.1,549 15,550 2,551 1,552 2,555 2,558 1.491,559 1.909,560 3.163,561 -0.835,565 1,567 42.99,568 1.194,569 2.25,570 3.179,571 3.816,572 4.329,573 4.593,574 2.557,575 3.093,576 3.778,577 3.294,578 299.73,579 6.22,580 2575.04,582 1,585 186.117,586 0.735,587 3.78,588 0.071,589 0.005,590 0.03,591 0.02,592 0.012,593 0.009,594 0.007,595 0.006,596 0.005,597 0.005,598 0.171,599 0.67,600 1,601 2.72,602 56.835,603 0.128,604 -0.328,605 0.036,606 -0.151,607 0.276,608 -0.078,609 0.02,610 -0.052,611 -0.149,612 -0.143,613 0.072,614 -0.156,615 -0.021,616 -0.036,617 -0.037,618 -0.041,619 -0.028,620 -0.04,621 -0.003,622 -0.005,623 0.008,624 0.004,625 -0.01,626 0.006,627 -0.01,628 -0.006,629 0.006,630 0.004,631 -0.023,632 0.006,633 -0.018,634 -0.007,635 0.005,636 0.005,637 -0.038,638 0.006,639 -0.029,640 -0.008,641 0.003,642 0.005,643 -0.058,644 0.006,645 -0.045,646 -0.01,648 0.006,649 -0.086,650 0.006,651 0.367,652 1.025,653 0.357,654 10.143,655 0.973,656 1.143,657 3.666,658 13.437,659 0.601,660 2.708,661 2.773,662 2.833,663 2.89,664 2.639,665 2.565,666 2.485,667 2.398,668 2.303,669 2.197,670 5.366,671 0.536,672 194.36,673 2.708,674 4.078,675 4.796,676 5.533,677 6.271,678 7.02,679 7.768,680 8.524,681 9.278,682 10.039,683 5.6,691 1,693 1,699 3,700 1,705 1,706 5,724 36,726 5,728 14,730 36,731 12,733 3,739 1,740 1,745 1,751 7,753 3,754 9,769 1,772 22,773 1,775 2,778 1,779 2,784 1,801 1,832 1,836 1,840 14,846 8,869 7.333,870 6.4,871 3.5,872 2.728,874 0.806,875 1.16,876 0.9,877 6.339,878 5.83,879 2.862,880 3.146,881 3.477,882 3.841,883 3.414,884 3.38,885 3.346,886 3.31,887 3.272,888 3.234,889 0.833,890 11,891 5.203,892 0.002,893 1.935,894 7.286,895 10.645,897 8.138,898 0.001,899 1.786,900 25,901 0.02,904 258.964,905 55.386,906 18.685,911 55.386,912 258.964,913 18.685,914 8.825,915 19.847,916 9.047,917 48.946,918 10.947,919 11.771,920 223.651,922 258.964,923 74.071,927 235.422,928 23.542,931 48.238,932 9.047,933 16.786,935 258.964,936 18.685,937 55.386,940 258.964,941 19.847,942 37.438,944 16.786,945 258.964,946 18.685,947 55.386,949 0.51,950 0.267,951 0.135,952 0.054,953 4,954 1,955 0.222,956 8,958 1,959 2.89,960 68.595,962 5,963 53.303,968 11.451,969 7.75,970 5.68,972 16.786,973 5.787,974 4.025,979 2.159,981 333.035,982 16.5,994 35.04,995 41.149,996 0.231,997 0.435,998 0.615,999 0.738,1000 0.837,1001 0.888,1002 3.937,1003 -0.212,1004 4.595,1005 0.682,1006 3.434,1007 3.818,1009 5.069,1010 3.35,1011 4.948,1012 -0.781,1013 5.922,1014 -0.372,1015 1.946,1016 2.674,1018 5.094,1019 1.682,1020 6.092,1021 -1.24,1022 7.344,1023 -1.477,1024 4.673,1025 5.638,1027 8.279,1028 4.473,1029 7.282,1030 -1.563,1031 8.835,1032 -2.494,1033 4.263,1034 5.765,1036 9.463,1037 3.791,1038 8.522,1039 -1.618,1040 10.378,1041 -3.082,1042 6.151,1043 7.801,1045 11.874,1046 5.797,1047 9.795,1048 -1.82,1049 11.96,1050 -3.684,1051 6.33,1052 8.501,1054 13.512,1055 5.682,1056 11.095,1057 -1.979,1058 13.571,1059 -4.372,1060 7.781,1061 10.134,1063 15.645,1064 7.243,1065 2.542,1067 15.202,1068 -4.749,1069 8.29,1070 11.106,1072 17.464,1073 7.47,1074 1.883,1075 6.997,1076 16.847,1078 9.51,1079 12.548,1081 19.489,1082 8.77,1083 1.583,1084 3.746,1085 18.503,1086 3.479,1087 10.204,1088 13.654,1090 21.381,1091 9.213,1092 1.27,1093 3.128,1094 20.165,1095 1.919,1096 11.298,1097 15.002,1099 23.361,1100 10.352,1101 0.927,1102 2.559,1103 21.832,1104 1.756,1105 12.096,1106 16.175,1108 25.283,1109 10.934,1110 0.618,1111 1.746,1112 23.502,1113 1.468,1114 13.12,1115 17.475,1117 27.244,1118 11.971,1119 0.388,1120 1.372,1121 25.175,1122 0.993,1123 13.976,1124 18.683,1126 29.179,1127 12.642,1128 1680,1129 2227,1130 9.416,1131 21.625,1132 18.672,1133 18.366,1134 19.037,1135 18.43,1136 18.424,1137 21.893,1139 40.459,1140 17.687,1141 4.852,1142 4.578,1143 5.324,1144 4.481,1145 4.521,1146 6.064,1148 11.747,1149 4.258,1150 4.712,1151 1.334,1152 1.312,1153 1.36,1154 1.316,1155 1.316,1156 1.564,1158 2.89,1159 1.263,1160 3.94,1161 4.01,1162 3.868,1163 3.749,1164 4.953,1165 3.764,1166 3.765,1167 3.832,1168 3.6,1169 3.625,1170 4.224,1171 3.616,1172 3.563,1173 3.639,1174 3.375,1175 3.42,1176 4.057,1177 3.4,1178 3.295,1179 3.384,1180 3.073,1181 3.129,1182 3.809,1183 3.103,1184 2.982,1185 3.089,1186 2.721,1187 2.779,1188 3.514,1189 2.749,1190 2.665,1191 2.79,1192 2.368,1193 2.424,1194 3.336,1195 2.392,1196 2.478,1197 2.583,1198 2.254,1199 2.278,1200 3.169,1201 2.257,1202 2.361,1203 2.506,1204 2.031,1205 2.058,1206 2.846,1207 2.026,1208 0.28,1209 0.189,1210 0.382,1211 0.247,1212 0.182,1213 3.92,1214 0.248,1215 2.646,1217 5.352,1218 0.5,1219 3.458,1220 0.166,1221 2.542,1222 3.479,1224 6.997,1225 2.328,1226 1.814,1227 1.752,1228 2.061,1229 1.98,1230 1.415,1231 2.009,1232 1.682,1233 1.612,1234 1.938,1235 1.878,1236 1.246,1237 1.9,1238 1.488,1239 1.412,1240 1.755,1241 1.7,1242 1.005,1243 1.726,1244 1.312,1245 1.243,1246 1.56,1247 1.527,1248 0.744,1249 1.529,1250 1.216,1251 1.128,1252 1.465,1253 1.462,1254 0.528,1255 1.487,1256 0.939,1257 0.836,1258 1.313,1259 1.2,1260 0.389,1261 1.252,1262 0.639,1263 0.513,1264 1.11,1265 0.943,1266 0.252,1267 1.01,1268 0.366,1269 0.215,1270 0.919,1271 0.719,1272 0.094,1273 0.797,1274 3.367,1276 4.489,1277 2.398,1278 5.759,1279 4.443,1280 7.104,1281 6.26,1282 8.497,1284 2.263,1290 10.767,1300 19.311,1301 42.99,1302 81,1303 114.45,1304 137.388,1305 155.853,1306 165.362,1307 18.141,1308 5.024,1309 17.82,1310 17.82,1311 5,1312 10.671,1313 2.585,1314 1.807,1315 28.488,1316 45,1317 42,1318 0.306,1319 126.219,1320 209.62,1321 299.734,1322 755,1324 10.063,1325 0.719,1326 0.663,1327 10.063,1328 9.283,1329 6.932,1330 0.495,1331 0.421,1332 5.844,1333 6.755,1334 5.689,1335 4.868,1336 6.932,1337 5.889,1338 5.06,1339 0.337,1340 0.261,1341 5.06,1342 3.922,1343 3.691,1344 0.231,1345 0.161,1346 3.691,1347 2.579,1348 2.689,1349 0.158,1350 0.098,1351 2.689,1352 1.67,1353 1.47,1354 0.113,1355 0.075,1356 1.47,1357 0.975,1358 0.508,1359 42.703,1360 0.326,1361 15.318,1362 0.759,1363 58,1364 117.29,1365 61.525,1366 116.396,1367 158.46,1368 110,1369 60,1370 113.93,1371 64.024,1372 116.788,1373 162.58,1374 109,1375 6.398} {0 CHEMBL151860,1 1.508,2 18.308,3 4.545,4 20.659,5 147.792,6 7.509,7 0.548,8 4.329,9 4.434,10 3.891,11 3.879,12 5.483,13 3.862,14 4.837,15 4.988,16 4.186,17 4.234,18 6.008,19 4.187,20 5.073,21 5.28,22 4.193,23 4.335,24 6.129,25 4.252,26 5.104,27 5.316,28 4.172,29 4.313,30 6.159,31 4.231,32 5.086,33 5.296,34 4.142,35 4.334,36 6.114,37 4.241,38 5.112,39 5.336,40 4.117,41 4.334,42 6.112,43 4.227,44 5.095,45 5.326,46 4.084,47 4.268,48 6.106,49 4.169,50 4.997,51 5.222,52 4.087,53 4.209,54 6.031,55 4.13,56 0.053,57 0.94,58 13.701,59 6.579,60 13.843,61 8.121,62 0.402,63 1.487,64 25.415,65 10.603,66 55.617,67 13.569,68 0.471,69 1.799,70 35.126,71 13.758,72 70.324,73 18.289,74 0.604,75 1.809,76 37.231,77 13.823,78 81.707,79 18.287,80 0.531,81 1.816,82 35.946,83 13.718,84 74.7,85 18.228,86 0.41,87 1.874,88 36.999,89 14.254,90 64.883,91 19.44,92 0.538,93 1.816,94 37.392,95 13.514,96 72.217,97 18.459,98 0.309,99 1.679,100 33.015,101 12.26,102 51.188,103 16.743,104 16,105 54,106 0.234,107 0.585,108 0.768,109 0.852,110 0.884,111 0.884,112 3.692,113 0.92,114 -4.32,115 -4.26,116 -4.02,118 44.3,120 4,124 3,133 1,134 1,140 11,141 4,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 6,175 2,177 1,180 23,181 1,185 1,186 9,189 2,191 1,194 20,195 1,197 1,198 9,201 1,203 1,206 16,207 1,209 1,210 8,215 3,218 15,219 1,221 1,222 8,227 5,229 12,230 1,233 1,234 10,239 5,242 8,243 2,247 12,252 4,255 4,256 3,258 2,259 15,260 1,264 4,267 1,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 23.58,277 16.204,278 16.658,279 27.094,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 16.015,286 13.278,287 7.996,288 21.235,289 4.622,290 2.353,291 1.177,292 0.634,293 0.429,294 0.429,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 38.576,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 84.5,326 714,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.151,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,351 1.058,352 8.178,353 2.589,354 3.896,355 2.844,356 5.34,357 3.509,358 2.521,359 3.444,361 6.965,362 2.491,363 3.639,364 2.828,365 5.239,366 3.24,367 2.235,368 3.06,370 6.368,371 2.222,372 3.55,373 2.264,374 4.659,375 3.196,376 2.209,377 2.71,379 5.184,380 2.18,381 3.269,382 2.162,383 4.542,384 2.811,385 1.843,386 2.531,388 4.677,389 1.786,390 3.001,391 2.033,392 4.17,393 2.678,394 1.715,395 2.148,397 3.872,398 1.651,399 2.95,400 1.891,401 3.957,402 2.571,403 1.598,404 2.112,406 3.482,407 1.541,408 2.757,409 1.604,410 3.714,411 2.454,412 1.476,413 1.797,415 3.162,416 1.44,417 2.643,418 1.533,419 3.634,420 2.354,421 1.379,422 1.66,424 3.063,425 1.335,426 2.5,427 1.307,428 3.478,429 2.063,430 1.085,431 1.5,433 2.63,434 1.056,435 2.5,436 1.297,437 3.414,438 2,439 1,440 1.5,442 2.323,443 1,444 2.5,445 1.171,446 3.389,447 2,448 1,449 1.5,451 2.275,452 1,453 2.464,454 1,455 3.267,456 1.956,457 1,458 1.407,460 2.136,461 0.953,462 18.367,463 0.471,464 0.661,465 0.017,466 50.75,467 1.301,468 26.5,469 0.679,470 24.25,471 0.622,472 32.407,473 0.831,474 41.633,475 0.595,476 42.235,477 1.083,478 10.393,479 0.266,480 8.704,481 0.223,482 0.054,484 0.245,487 0.791,488 1.206,489 0.787,490 1.074,491 0.667,492 0.953,493 0.827,494 1.108,495 0.961,496 1.063,497 0.554,498 1.04,499 0.838,500 0.984,501 0.946,502 1.008,503 0.859,504 1.001,505 1.013,506 0.982,507 0.996,508 0.968,509 0.973,510 0.979,511 0.94,512 1.007,513 1.048,514 1.002,515 0.878,516 1.036,517 0.774,518 1.092,519 1.003,520 1.082,521 0.735,522 1.082,523 0.899,524 1.03,525 0.991,526 0.985,527 0.926,528 0.996,529 0.838,530 1.076,531 0.902,532 1.025,533 0.809,534 0.973,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 81302,547 2.082,548 44.3,549 6,550 18,551 1,552 2,553 2,554 2,558 1.79,559 2,560 4.093,561 0.111,567 105.525,568 1.508,569 3.776,570 4.952,571 5.496,572 5.701,573 5.701,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 429.05,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.75,601 1.233,602 225.902,603 -0.048,604 -0.079,605 0.034,606 -0.021,607 -0.047,608 0.014,609 0.074,610 -0.032,611 -0.063,612 -0.05,613 0.116,614 -0.078,615 0.022,616 0.017,617 0.008,618 -0.006,619 -0.011,620 -0.006,621 -0.009,622 0.001,623 -0.011,624 0.021,625 -0.051,626 0.006,627 -0.049,628 -0.006,629 -0.087,630 -0.007,631 -0.077,632 -0.045,633 -0.014,634 -0.096,635 -0.047,636 -0.086,637 -0.019,638 -0.076,639 -0.011,640 -0.038,641 -0.004,642 -0.008,643 -0.053,644 -0.004,645 -0.022,646 -0.063,647 0.066,648 -0.044,649 -0.009,650 0.019,651 2.443,652 5.472,653 0.59,654 67.057,655 1.004,656 1.119,657 3.091,658 9.556,659 0.671,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.643,672 525.65,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 4.3,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,724 70,726 26,727 2,728 42,730 73,731 31,733 20,734 3,735 9,736 3,739 4,740 4,751 4,753 24,754 7,756 3,761 2,763 1,765 3,772 31,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 7,847 1,848 1,862 7.1,864 1,865 2,866 1,867 1,869 19.5,870 12.267,871 8.861,872 4.207,874 3.805,875 1.474,876 0.956,877 10.594,878 11.831,879 4.052,880 4.572,881 5.098,882 5.621,883 6.081,884 6.286,885 6.683,886 7.039,887 7.419,888 7.763,889 1,890 53,891 14.405,893 5.971,894 7.833,895 27.314,897 21.67,899 2.333,900 91,904 341.362,905 194.297,906 51.582,908 113.48,911 194.297,912 454.842,913 51.582,915 39.439,916 125.454,917 171.721,918 46.287,919 11.771,920 306.049,922 341.362,923 245.879,924 113.48,927 341.362,928 102.481,929 11,931 65.311,932 137.521,933 43.047,935 341.362,936 165.062,937 194.297,940 341.362,941 50.748,942 143.549,943 18.011,944 147.051,945 341.362,946 165.062,947 194.297,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.192,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 27.969,969 14.772,970 8.745,972 165.062,973 26.355,974 8.591,976 5.577,978 4.351,980 60.694,981 700.721,982 56.5,987 23.251,989 2.116,991 -0.08,994 70.312,995 78.355,996 0.246,997 0.616,998 0.808,999 0.897,1000 0.93,1001 0.93,1002 5.24,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.26,1008 2.671,1009 6.723,1010 4.656,1011 6.405,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.771,1017 2.243,1018 7.466,1019 3.99,1020 7.67,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.35,1026 3.777,1027 10.556,1028 6.126,1029 8.973,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.746,1035 4.112,1036 12.22,1037 6.357,1038 10.312,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.722,1044 5.242,1045 14.785,1046 7.888,1047 11.675,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.549,1053 5.889,1054 16.81,1055 8.546,1056 13.059,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 12.245,1062 6.858,1063 19.199,1064 9.817,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 13.306,1071 7.625,1072 21.375,1073 10.688,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.856,1080 8.528,1081 23.702,1082 11.846,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 16.05,1089 9.342,1090 25.944,1091 12.823,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.053,1097 17.522,1098 10.216,1099 28.251,1100 13.933,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.794,1107 11.051,1108 30.523,1109 14.963,1110 2.209,1111 6.368,1112 26.885,1113 3.444,1114 16.192,1115 20.224,1116 11.912,1117 32.825,1118 16.055,1119 1.843,1120 5.184,1121 28.719,1122 3.06,1123 17.257,1124 21.542,1125 12.755,1126 35.113,1127 17.113,1128 27880,1129 46762,1130 28.602,1131 46.949,1132 61.632,1133 62.806,1134 61.749,1135 60.718,1136 60.738,1137 80.557,1138 9.1,1139 160.195,1140 59.552,1141 5.343,1142 5.596,1143 6.304,1144 5.103,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.78,1151 1.467,1152 1.495,1153 1.47,1154 1.446,1155 1.446,1156 1.918,1157 0.217,1158 3.814,1159 1.418,1160 4.045,1161 4.067,1162 4.004,1163 3.97,1164 7.474,1165 3.971,1166 3.909,1167 3.939,1168 3.849,1169 3.845,1170 7.429,1171 3.838,1172 3.889,1173 3.916,1174 3.834,1175 3.757,1176 6.351,1177 3.771,1178 3.739,1179 3.78,1180 3.677,1181 3.595,1182 5.149,1183 3.614,1184 3.723,1185 3.766,1186 3.599,1187 3.577,1188 4.916,1189 3.576,1190 3.559,1191 3.609,1192 3.442,1193 3.336,1194 4.788,1195 3.35,1196 3.45,1197 3.484,1198 3.344,1199 3.28,1200 4.661,1201 3.287,1202 3.234,1203 3.273,1204 3.142,1205 3.013,1206 4.505,1207 3.028,1208 0.105,1209 0.086,1210 0.155,1211 0.096,1212 0.072,1213 4.411,1214 0.097,1215 3.596,1216 0.056,1217 6.502,1218 0.243,1219 4.036,1220 0.072,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.905,1233 1.877,1234 2.035,1235 1.997,1236 1.163,1237 2.011,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.143,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 1.021,1249 1.899,1250 1.601,1251 1.557,1252 1.801,1253 1.849,1254 0.963,1255 1.833,1256 1.432,1257 1.396,1258 1.644,1259 1.632,1260 0.835,1261 1.628,1262 1.38,1263 1.346,1264 1.526,1265 1.61,1266 0.606,1267 1.585,1268 1.184,1269 1.164,1270 1.41,1271 1.451,1272 0.527,1273 1.404,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.86,1290 3.586,1291 2.795,1292 5.598,1300 45.013,1301 105.525,1302 264.335,1303 346.632,1304 384.685,1305 399.05,1306 399.05,1307 83.539,1308 8.026,1309 114.55,1310 114.55,1311 23,1312 12.544,1313 4.755,1314 3.954,1315 70.774,1316 243,1317 263,1318 0.137,1319 277.94,1320 491.81,1321 669.934,1322 41503,1324 27.288,1325 0.7,1326 0.553,1327 27.288,1328 21.585,1329 19.097,1330 0.455,1331 0.307,1332 12.72,1333 18.416,1334 12.486,1335 10.373,1336 19.097,1337 12.885,1338 16.221,1339 0.3,1340 0.165,1341 16.221,1342 8.908,1343 12.978,1344 0.194,1345 0.089,1346 12.978,1347 5.989,1348 10.358,1349 0.126,1350 0.049,1351 10.358,1352 3.986,1353 8.01,1354 0.083,1355 0.027,1356 8.01,1357 2.601,1358 0.226,1359 119.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 606.715,1365 210.337,1366 579.525,1367 776.09,1368 542,1369 217,1370 548.923,1371 234.317,1372 555.761,1373 802.51,1374 522,1375 7.323} {0 CHEMBL15301,1 1.481,2 9.688,3 1.892,4 3.581,5 70.412,6 6.38,7 0.313,8 3.666,9 3.806,10 3.242,11 3.2,12 4.528,13 3.082,14 4.251,15 4.478,16 3.277,17 3.538,18 5.037,19 3.364,20 4.498,21 4.786,22 3.055,23 3.569,24 5.21,25 3.335,26 4.461,27 4.776,28 2.971,29 3.499,30 5.071,31 3.245,32 4.36,33 4.673,34 2.899,35 3.4,36 4.991,37 3.15,38 4.248,39 4.557,40 2.821,41 3.291,42 4.904,43 3.045,44 4.121,45 4.427,46 2.736,47 3.168,48 4.808,49 2.927,50 3.976,51 4.277,52 2.643,53 3.028,54 4.703,55 2.794,56 0.062,57 0.546,58 11.578,59 4.086,60 5.874,61 5.522,62 0.157,63 0.824,64 20.442,65 6.712,66 12.273,67 9.012,68 0.206,69 0.861,70 22.763,71 7.717,72 23.755,73 10.718,74 0.171,75 0.813,76 21.82,77 7.41,78 17.543,79 10.341,80 0.161,81 0.736,82 19.962,83 6.665,84 16.634,85 9.277,86 0.151,87 0.66,88 18.105,89 5.92,90 15.725,91 8.213,92 0.14,93 0.584,94 16.247,95 5.175,96 14.817,97 7.15,98 0.13,99 0.507,100 14.389,101 4.431,102 13.908,103 6.086,104 14,105 18,106 0.276,107 0.482,108 0.684,109 0.787,110 0.855,111 0.875,112 2.846,113 1.457,114 -3.05,115 -3.05,116 -2.94,118 31.6,120 6,123 1,124 2,143 1,149 1,156 1,168 5,171 1,172 1,180 4,186 2,194 3,198 3,206 2,210 3,218 1,222 3,234 3,247 2,259 1,270 292,271 10.795,272 10.795,273 10.795,274 10.795,275 10.795,276 9.966,277 6.902,278 7.152,279 11.269,280 7.949,281 7.949,282 7.949,283 7.949,284 7.949,285 6.752,286 3.657,287 3.491,288 8.65,289 3.767,290 2.657,291 1.573,292 1.02,293 0.651,294 0.546,295 3.479,298 1,299 1,300 1,301 307,302 3.391,305 53.881,313 1.727,314 9.921,316 1,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 34,326 155,327 3.92,328 4.515,329 5.352,330 3.458,331 2.542,332 3.479,333 2.95,334 6.997,335 2.328,336 3.55,337 2.646,338 4.659,339 3.081,340 2.236,341 2.71,343 5.184,344 1.92,345 2.879,346 2.228,347 3.859,348 2.809,349 1.83,350 1.902,352 3.694,353 1.737,354 2.683,355 1.824,356 3.57,357 2.45,358 1.481,359 1.716,361 3.035,362 1.422,363 2.381,364 1.485,365 3.28,366 2.127,367 1.18,368 1.36,370 2.462,371 1.112,372 2.118,373 1.182,374 3,375 1.728,376 0.758,377 0.927,379 1.56,380 0.731,381 1.873,382 0.669,383 2.842,384 1.554,385 0.618,386 0.818,388 1.372,389 0.577,390 1.284,391 0.618,392 2.361,393 1.148,394 0.178,395 0.19,397 0.373,398 0.171,399 0.719,400 0.058,401 1.879,402 0.535,403 -0.418,404 -0.442,406 -0.903,407 -0.388,408 0.424,409 -0.405,410 1.389,411 -0.012,412 -0.95,413 -0.994,415 -2,416 -0.803,417 0.138,418 -0.609,419 1,420 -0.16,421 -1,422 -1.324,424 -2.108,425 -0.893,426 -0.118,427 -1.091,428 1,429 -0.428,430 -1.352,431 -1.541,433 -2.893,434 -1.235,435 -0.151,436 -1.509,437 0.888,438 -0.697,439 -1.618,440 -1.812,442 -3.484,443 -1.471,444 -0.481,445 -1.618,446 0.464,447 -0.719,448 -1.638,449 -1.977,451 -4.165,452 -1.53,453 -0.774,454 -1.769,455 0.35,456 -0.943,457 -1.862,458 -2.427,460 -4.372,461 -1.751,462 7.967,463 0.498,464 0.212,465 0.013,466 15,467 0.938,468 5.5,469 0.344,470 9.5,471 0.594,472 14.286,473 0.893,474 19.633,475 0.517,476 6.58,477 0.411,478 2.276,479 0.142,480 5.512,481 0.345,482 0.105,484 0.155,487 0.585,488 1.645,489 0.968,490 1.362,491 0.575,492 1.282,493 0.888,494 1.275,495 1.391,496 1.383,497 0.536,498 1.244,499 1.104,500 0.969,501 0.947,502 0.959,503 1.22,504 1.062,505 0.716,506 0.889,507 0.829,508 0.883,509 0.683,510 0.941,511 0.782,512 0.897,513 0.862,514 0.895,515 0.753,516 0.942,517 0.865,518 0.907,519 0.904,520 0.91,521 0.841,522 0.942,523 0.971,524 0.92,525 0.958,526 0.929,527 0.953,528 0.943,529 1.113,530 0.937,531 1.029,532 0.955,533 1.104,534 0.943,535 2,536 0.053,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.056,544 0.025,545 2369,546 6015,547 1.929,548 57.9,549 8,550 7,551 1,552 2,555 4,558 1.534,559 1.846,560 3.281,561 -0.734,563 1,564 1,565 1,567 56.294,568 1.481,569 2.591,570 3.675,571 4.228,572 4.596,573 4.702,574 2.703,575 3.125,576 3.973,577 3.468,578 416.17,579 6.61,580 4084.86,581 1,582 1,584 1,585 199.421,586 1.061,587 3.953,588 0.125,589 0.009,590 0.037,591 0.027,592 0.017,593 0.012,594 0.01,595 0.008,596 0.007,597 0.004,598 0.255,599 0.83,600 1,601 2.875,602 69.257,603 0.149,604 -0.266,605 0.18,606 -0.071,607 -0.016,608 -0.044,609 -0.028,610 -0.08,611 -0.212,612 -0.204,613 0.073,614 -0.156,615 -0.124,616 -0.045,617 -0.103,618 -0.056,619 -0.11,620 -0.097,621 -0.015,623 0.001,624 0.006,625 -0.015,626 0.008,627 -0.028,629 -0.005,630 0.005,631 -0.026,632 0.006,633 -0.043,634 -0.001,635 -0.013,636 0.004,637 -0.039,638 0.005,639 -0.063,640 -0.001,641 -0.023,642 0.003,643 -0.056,644 0.003,645 -0.09,646 -0.001,647 -0.037,648 0.002,649 -0.078,651 1.827,652 3.813,653 0.313,654 13.25,655 0.985,656 1.139,657 1.821,658 3.317,659 0.624,660 2.833,661 2.944,662 2.944,663 2.996,664 2.773,665 2.708,666 2.639,667 2.565,668 2.485,669 2.398,670 6.092,671 0.558,672 242.43,673 2.833,674 4.234,675 4.949,676 5.7,677 6.431,678 7.188,679 7.927,680 8.686,681 9.431,682 10.192,683 5.3,691 1,693 1,699 3,700 1,705 1,706 5,724 38,726 6,728 16,730 38,731 12,733 3,739 1,740 1,751 6,753 3,754 9,756 1,761 1,766 1,769 1,772 22,773 2,775 4,776 1,778 1,779 2,784 1,785 1,801 1,832 1,834 1,836 1,840 16,842 1,846 8,862 2.6,865 1,869 8.667,870 6.733,871 3.833,872 2.506,874 0.851,875 1.162,876 0.907,877 7.357,878 6.104,879 3.02,880 3.341,881 3.566,882 3.903,883 3.508,884 3.477,885 3.446,886 3.414,887 3.38,888 3.346,889 1,890 13,891 5.957,893 2.284,894 7.576,895 11.927,897 9.281,899 2.076,900 33.222,901 0.007,904 258.964,905 71.249,906 18.685,908 22.156,910 19.133,911 52.116,912 281.121,913 18.685,914 7.19,915 18.213,916 28.18,917 71.103,918 10.947,919 11.771,920 223.651,922 258.964,923 70.801,924 22.156,925 19.133,927 211.88,928 69.241,931 37.778,932 16.238,933 16.786,934 19.133,935 258.964,936 40.841,937 71.249,940 278.097,941 18.213,942 35.803,944 38.942,945 258.964,946 40.841,947 71.249,949 0.53,950 0.259,951 0.126,952 0.052,953 5,954 2,955 0.237,956 9,958 1,959 3.098,960 83.16,962 5,963 64,966 1,968 13.597,969 8.658,970 7.466,972 38.942,973 5.706,974 4.012,979 2.125,981 371.054,982 19.5,987 10.813,992 -0.605,994 37.443,995 43.278,996 0.282,997 0.494,998 0.7,999 0.806,1000 0.876,1001 0.896,1002 4.131,1003 0.178,1004 4.796,1005 1.372,1006 3.611,1007 4.016,1008 2.913,1009 5.293,1010 3.456,1011 5.192,1012 -0.418,1013 6.151,1014 0.373,1015 2.565,1016 3.277,1018 5.46,1019 2.118,1020 6.372,1021 -0.95,1022 7.595,1023 -0.903,1024 4.89,1025 5.837,1026 5.027,1027 8.49,1028 4.563,1029 7.587,1030 -1,1031 9.098,1032 -2,1033 4.71,1034 6.084,1036 9.649,1037 4.043,1038 8.839,1039 -1.352,1040 10.642,1041 -2.108,1042 6.389,1043 7.961,1044 7.185,1045 12.023,1046 5.874,1047 10.114,1048 -1.618,1049 12.215,1050 -2.893,1051 6.666,1052 8.683,1054 13.616,1055 5.831,1056 11.407,1057 -1.638,1058 13.812,1059 -3.484,1060 8.013,1061 10.247,1062 9.348,1063 15.736,1064 7.305,1065 2.542,1066 -1.862,1067 15.425,1068 -4.165,1069 8.552,1070 11.213,1072 17.524,1073 7.565,1074 2.236,1075 6.997,1076 17.051,1077 -4.372,1078 9.718,1079 12.623,1080 11.511,1081 19.54,1082 8.818,1083 1.83,1084 5.184,1085 18.687,1086 3.479,1087 10.412,1088 13.718,1090 21.415,1091 9.275,1092 1.481,1093 3.694,1094 20.33,1095 2.71,1096 11.475,1097 15.049,1098 13.675,1099 23.389,1100 10.388,1101 1.18,1102 3.035,1103 21.979,1104 1.902,1105 12.261,1106 16.214,1108 25.303,1109 10.974,1110 0.758,1111 2.462,1112 23.633,1113 1.716,1114 13.266,1115 17.504,1116 15.838,1117 27.259,1118 11.997,1119 0.618,1120 1.56,1121 25.29,1122 1.36,1123 14.107,1124 18.706,1126 29.19,1127 12.67,1128 2496,1129 4047,1130 10.515,1131 23.728,1132 21.878,1133 24.034,1134 21.848,1135 21.808,1136 21.647,1137 26.205,1138 5.9,1139 49.353,1140 19.996,1141 4.866,1142 6.439,1143 5.245,1144 4.488,1145 4.527,1146 6.064,1147 5.9,1148 11.747,1149 4.256,1150 7.15,1151 1.367,1152 1.502,1153 1.366,1154 1.363,1155 1.353,1156 1.638,1157 0.369,1158 3.085,1159 1.25,1160 3.941,1161 4.01,1162 4.298,1163 3.782,1164 7.397,1165 3.767,1166 3.792,1167 3.838,1168 3.866,1169 3.714,1170 4.953,1171 3.655,1172 3.624,1173 3.662,1174 3.552,1175 3.535,1176 4.181,1177 3.48,1178 3.385,1179 3.444,1180 3.254,1181 3.259,1182 3.963,1183 3.214,1184 3.095,1185 3.189,1186 2.883,1187 2.916,1188 3.751,1189 2.882,1190 2.796,1191 2.912,1192 2.51,1193 2.57,1194 3.593,1195 2.537,1196 2.542,1197 2.653,1198 2.308,1199 2.32,1200 3.36,1201 2.291,1202 2.462,1203 2.565,1204 2.255,1205 2.228,1206 3.269,1207 2.191,1208 0.245,1209 0.282,1210 0.335,1211 0.216,1212 0.159,1213 3.92,1214 0.217,1215 4.515,1216 0.184,1217 5.352,1218 0.437,1219 3.458,1220 0.146,1221 2.542,1222 3.479,1223 2.95,1224 6.997,1225 2.328,1226 1.814,1227 1.76,1228 2.046,1229 1.975,1230 1.416,1231 2.005,1232 1.687,1233 1.641,1234 1.888,1235 1.859,1236 1.249,1237 1.891,1238 1.51,1239 1.462,1240 1.684,1241 1.679,1242 1.012,1243 1.729,1244 1.33,1245 1.27,1246 1.552,1247 1.528,1248 0.778,1249 1.557,1250 1.263,1251 1.189,1252 1.485,1253 1.494,1254 0.596,1255 1.509,1256 1.045,1257 0.95,1258 1.384,1259 1.295,1260 0.447,1261 1.342,1262 0.768,1263 0.655,1264 1.182,1265 1.046,1266 0.317,1267 1.107,1268 0.485,1269 0.366,1270 0.972,1271 0.805,1272 0.162,1273 0.879,1274 3.497,1276 4.654,1277 2.398,1278 5.943,1279 4.443,1280 7.295,1281 6.26,1282 8.687,1284 1.783,1290 9.388,1300 21.213,1301 56.294,1302 98.446,1303 139.647,1304 160.666,1305 174.666,1306 178.666,1307 31.053,1308 5.252,1309 34.89,1310 54.1,1311 5,1312 10.826,1313 2.807,1314 2.17,1315 35.211,1316 59,1317 44,1318 0.284,1319 141.346,1320 236.92,1321 336.645,1322 1067,1324 11.64,1325 0.727,1326 0.682,1327 11.929,1328 10.916,1329 7.788,1330 0.487,1331 0.486,1332 6.139,1333 6.873,1334 5.797,1335 4.903,1336 8.569,1337 7.773,1338 6.243,1339 0.347,1340 0.32,1341 7.084,1342 5.754,1343 4.119,1344 0.229,1345 0.196,1346 4.509,1347 3.521,1348 2.992,1349 0.157,1350 0.123,1351 3.268,1352 2.336,1353 1.684,1354 0.112,1355 0.096,1356 1.88,1357 1.445,1358 0.478,1359 56.231,1360 0.308,1361 17.44,1362 0.695,1363 68,1364 183.886,1365 95.36,1366 197.634,1367 253.3,1368 182,1369 70,1370 154.963,1371 95.391,1372 176.612,1373 236.92,1374 161,1375 5.481} {0 CHEMBL15351,1 1.354,2 11.2,3 3.573,4 12.768,5 81.669,6 6.438,7 0.524,8 3.781,9 3.917,10 3.219,11 3.331,12 4.772,13 3.27,14 4.331,15 4.537,16 3.445,17 3.691,18 5.223,19 3.583,20 4.597,21 4.869,22 3.333,23 3.752,24 5.413,25 3.583,26 4.563,27 4.842,28 3.215,29 3.653,30 5.404,31 3.477,32 4.477,33 4.76,34 3.102,35 3.565,36 5.285,37 3.383,38 4.391,39 4.68,40 2.976,41 3.486,42 5.135,43 3.291,44 4.29,45 4.581,46 2.898,47 3.39,48 5.028,49 3.199,50 4.169,51 4.453,52 2.82,53 3.279,54 4.945,55 3.099,56 0.036,57 0.583,58 9.673,59 4.059,60 6.159,61 5.782,62 0.136,63 0.93,64 17.21,65 6.638,66 11.745,67 9.625,68 0.168,69 1.054,70 22.566,71 8.694,72 26.022,73 12.569,74 0.196,75 0.984,76 22.005,77 8.111,78 31.341,79 11.731,80 0.184,81 0.903,82 20.173,83 7.402,84 27.934,85 10.761,86 0.159,87 0.837,88 18.401,89 6.831,90 22.305,91 10.021,92 0.138,93 0.761,94 16.579,95 6.14,96 18.874,97 9.059,98 0.128,99 0.678,100 14.708,101 5.36,102 17.81,103 7.916,104 2,105 25,106 0.241,107 0.533,108 0.703,109 0.813,110 0.865,111 0.865,112 3.054,113 1.057,114 -4.34,115 -4.28,116 -4.04,118 40.5,120 6,124 1,140 5,141 1,143 1,149 1,153 1,156 1,168 11,171 1,172 3,180 11,186 4,194 9,198 5,206 7,210 4,218 7,222 3,229 6,234 3,242 6,247 1,255 5,258 1,259 2,267 3,270 522,271 13.864,272 13.864,273 13.864,274 13.864,275 13.864,276 12.399,277 8.384,278 8.944,279 14.018,280 10.411,281 10.411,282 10.411,283 10.411,284 10.411,285 8.283,286 5.124,287 4.314,288 10.633,289 4.038,290 2.393,291 1.437,292 0.816,293 0.524,294 0.524,295 3.721,298 1,299 1,300 1,301 470,302 3.317,305 68.372,306 78.662,313 1.8,314 12.026,315 1,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 42,326 224,327 4.14,328 3.598,329 6.018,330 3.807,331 2.783,332 3.67,333 1.277,334 8.537,335 2.845,336 3.92,337 2.646,338 5.352,339 3.458,340 2.542,341 3.479,343 6.997,344 2.328,345 3.293,346 2.191,347 4.325,348 2.924,349 1.916,350 2.554,352 4.328,353 1.93,354 2.864,355 1.836,356 3.832,357 2.752,358 1.747,359 1.897,361 3.6,362 1.753,363 2.687,364 1.504,365 3.574,366 2.41,367 1.43,368 1.733,370 2.98,371 1.401,372 2.563,373 1.324,374 3.428,375 2.163,376 1.191,377 1.549,379 2.612,380 1.154,381 2.5,382 1.214,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.223,391 1,392 3.142,393 1.944,394 0.949,395 1.154,397 2.067,398 0.939,399 2.118,400 0.757,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.637,409 0.618,410 2.699,411 1.473,412 0.469,413 0.526,415 0.987,416 0.469,417 0.989,418 0.189,419 2.268,420 0.839,421 -0.16,422 -0.176,424 -0.344,425 -0.159,426 0.747,427 -0.36,428 1.814,429 0.282,430 -0.723,431 -0.821,433 -1.588,434 -0.713,435 0.5,436 -0.644,437 1.555,438 0.223,439 -0.796,440 -1.105,442 -1.725,443 -0.814,444 0.398,445 -0.998,446 1.438,448 -1,449 -1.419,451 -2.347,452 -1,453 0.018,454 -1,455 1.054,456 -0.244,457 -1.237,458 -1.5,460 -2.72,461 -1.221,462 9.633,463 0.482,464 0.226,465 0.011,466 23.5,467 1.175,468 11.5,469 0.575,470 12,471 0.6,472 15.236,473 0.762,474 22.167,475 0.528,476 13.177,477 0.659,478 4.355,479 0.218,480 5.505,481 0.275,482 0.035,484 0.145,487 0.661,488 1.412,489 0.931,490 1.211,491 0.502,492 1.113,493 0.852,494 1.141,495 1.104,496 1.158,497 0.614,498 1.147,499 0.914,500 0.973,501 0.981,502 1.031,503 0.94,504 1.018,505 1.218,506 0.937,507 1.016,508 0.987,509 1.355,510 0.989,511 1.203,512 0.917,513 1.024,514 0.963,515 1.327,516 0.98,517 1.014,518 0.927,519 1.024,520 0.973,521 1.07,522 0.998,523 0.923,524 0.927,525 0.993,526 0.964,527 0.933,528 0.982,529 1.03,530 0.941,531 1.02,532 0.967,533 1.052,534 0.988,535 2,536 0.067,537 1.333,538 0.66,539 0.316,540 0.233,541 0.116,542 0.084,543 0.039,544 0.05,545 4798,546 11065,547 2.053,548 52.4,549 8,550 7,551 1,552 2,554 2,555 2,558 1.604,559 2,560 3.467,561 -0.836,563 1,565 1,567 56.883,568 1.354,569 2.999,570 3.956,571 4.576,572 4.869,573 4.869,574 2.909,575 3.622,576 4.298,577 3.653,578 694.012,579 7.27,580 8004.71,581 1,582 1,584 1,585 226.477,586 0.884,587 4.291,588 0.095,589 0.006,590 0.053,591 0.031,592 0.018,593 0.015,594 0.008,595 0.006,596 0.003,597 0.005,598 0.241,599 0.67,600 1,601 0.432,602 93.692,603 0.033,604 -0.194,605 0.046,606 -0.072,607 0.052,608 -0.024,609 -0.009,610 -0.014,611 -0.124,612 -0.119,613 0.011,614 -0.129,615 -0.021,616 -0.027,617 -0.019,618 -0.041,619 0.02,620 -0.03,621 -0.071,622 -0.018,623 -0.034,624 -0.023,625 -0.043,626 -0.025,627 -0.091,628 0.003,629 -0.045,630 -0.003,631 -0.083,632 -0.017,633 -0.083,634 -0.002,635 -0.06,636 -0.012,637 -0.099,638 -0.031,639 -0.058,640 0.004,641 -0.033,642 -0.004,643 -0.079,644 -0.014,645 -0.081,646 0.003,647 -0.05,648 -0.01,649 -0.106,650 -0.024,651 1.399,652 4.879,653 0.55,654 17.5,655 0.985,656 1.128,657 3.115,658 9.7,659 0.645,660 3.091,661 3.258,662 3.401,663 3.497,664 3.434,665 3.258,666 3.219,667 3.091,668 3.045,669 3.045,670 6.856,671 0.596,672 270.41,673 3.091,674 4.533,675 5.303,676 6.089,677 6.872,678 7.662,679 8.45,680 9.242,681 10.032,682 10.825,683 4.8,691 1,693 1,699 8,700 1,704 1,705 1,706 11,710 1,724 42,726 12,727 1,728 21,730 43,731 17,733 9,734 1,735 5,736 1,739 2,740 2,751 6,753 10,754 7,756 1,761 1,765 1,768 1,769 1,772 22,773 2,775 3,778 1,779 2,784 1,785 1,801 1,802 1,832 2,840 20,846 7,862 2.4,865 1,869 10,870 7.233,871 4.694,872 2.818,874 1.611,875 1.271,876 0.944,877 6.197,878 7.567,879 3.35,880 3.778,881 4.221,882 4.627,883 4.752,884 4.513,885 4.608,886 4.233,887 4.219,888 4.262,889 1,890 21,891 7.412,893 2.955,894 7.592,895 14.584,897 11.515,899 2.092,900 41.833,901 0.001,904 258.964,905 99.727,906 18.685,908 25.145,911 99.727,912 284.109,913 18.685,915 17.313,916 56.429,917 79.225,918 14.132,919 11.771,920 223.651,922 258.964,923 118.411,924 25.145,927 235.422,928 48.687,931 36.878,932 64.748,933 16.786,935 258.964,936 43.83,937 99.727,940 258.964,941 25.632,942 75.994,944 41.93,945 258.964,946 43.83,947 99.727,949 0.542,950 0.301,951 0.155,952 0.069,953 9,954 3,955 0.209,956 9,958 1,959 3.566,960 124.644,962 11,963 82.439,968 14.677,969 8.445,970 5.437,972 41.93,973 15.247,974 4.024,978 0.84,979 2.11,981 402.52,982 27.5,987 11.879,991 0.268,994 41.367,995 47.358,996 0.251,997 0.556,998 0.734,999 0.849,1000 0.903,1001 0.903,1002 4.486,1003 0.949,1004 5.176,1005 2.136,1006 3.932,1007 4.46,1008 1.45,1009 5.784,1010 3.898,1011 5.591,1012 0.618,1013 6.6,1014 2.067,1015 2.944,1016 3.689,1018 6.26,1019 2.922,1020 6.808,1021 0.469,1022 8.129,1023 1.372,1024 5.313,1025 6.441,1026 1.845,1027 9.343,1028 5.253,1029 8.065,1030 -0.16,1031 9.731,1032 0.987,1033 5.303,1034 6.667,1036 10.814,1037 5.263,1038 9.361,1039 -0.723,1040 11.383,1041 -0.344,1042 6.965,1043 8.709,1044 2.271,1045 13.29,1046 6.9,1047 10.685,1048 -0.796,1049 13.072,1050 -1.588,1051 7.444,1052 9.401,1054 15.141,1055 7.412,1056 12.03,1057 -1,1058 14.786,1059 -1.725,1060 8.773,1061 11.115,1062 2.72,1063 17.407,1064 8.729,1065 2.783,1066 -1.237,1067 16.518,1068 -2.347,1069 9.505,1070 12.048,1072 19.414,1073 9.502,1074 2.542,1075 8.537,1076 18.263,1077 -2.72,1078 10.672,1079 13.591,1080 3.184,1081 21.601,1082 10.669,1083 1.916,1084 6.997,1085 20.017,1086 3.67,1087 11.536,1088 14.658,1090 23.677,1091 11.576,1092 1.747,1093 4.328,1094 21.778,1095 3.479,1096 12.623,1097 16.105,1098 3.658,1099 25.834,1100 12.674,1101 1.43,1102 3.6,1103 23.544,1104 2.554,1105 13.556,1106 17.251,1108 27.942,1109 13.648,1110 1.191,1111 2.98,1112 25.314,1113 1.897,1114 14.603,1115 18.64,1116 4.138,1117 30.088,1118 14.715,1119 1,1120 2.612,1121 27.087,1122 1.733,1123 15.573,1124 19.836,1126 32.212,1127 15.723,1128 4698,1129 7215,1130 14.386,1131 27.08,1132 29.702,1133 30.108,1134 29.614,1135 29.255,1136 29.291,1137 37.979,1138 2.555,1139 71.235,1140 28.789,1141 5.091,1142 5.598,1143 5.884,1144 4.833,1145 4.783,1146 6.67,1147 2.555,1148 14.413,1149 4.845,1150 5.429,1151 1.414,1152 1.434,1153 1.41,1154 1.393,1155 1.395,1156 1.809,1157 0.122,1158 3.392,1159 1.371,1160 3.958,1161 4.016,1162 3.885,1163 3.872,1164 7.427,1165 3.868,1166 3.914,1167 3.952,1168 3.85,1169 3.737,1170 4.953,1171 3.755,1172 3.715,1173 3.778,1174 3.565,1175 3.585,1176 4.726,1177 3.575,1178 3.491,1179 3.552,1180 3.348,1181 3.346,1182 4.158,1183 3.336,1184 3.215,1185 3.274,1186 3.062,1187 3.045,1188 3.902,1189 3.04,1190 2.914,1191 2.992,1192 2.713,1193 2.739,1194 3.674,1195 2.72,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.633,1201 2.715,1202 2.646,1203 2.749,1204 2.431,1205 2.448,1206 3.499,1207 2.428,1208 0.197,1209 0.171,1210 0.287,1211 0.181,1212 0.133,1213 4.14,1214 0.175,1215 3.598,1216 0.061,1217 6.018,1218 0.407,1219 3.807,1220 0.135,1221 2.783,1222 3.67,1223 1.277,1224 8.537,1225 2.845,1226 1.919,1227 1.895,1228 2.062,1229 2.016,1230 1.399,1231 2.031,1232 1.789,1233 1.728,1234 2.006,1235 1.954,1236 1.197,1237 1.973,1238 1.621,1239 1.556,1240 1.851,1241 1.816,1242 1.062,1243 1.831,1244 1.4,1245 1.34,1246 1.631,1247 1.602,1248 0.858,1249 1.618,1250 1.292,1251 1.224,1252 1.487,1253 1.525,1254 0.584,1255 1.514,1256 1.112,1257 1.049,1258 1.366,1259 1.342,1260 0.414,1261 1.359,1262 0.886,1263 0.821,1264 1.181,1265 1.091,1266 0.275,1267 1.124,1268 0.861,1269 0.783,1270 1.172,1271 1.062,1272 0.218,1273 1.107,1274 3.761,1276 4.963,1277 2.398,1278 6.337,1279 4.443,1280 7.789,1281 6.26,1282 9.286,1290 7.466,1300 25.026,1301 56.883,1302 125.955,1303 166.139,1304 192.213,1305 204.477,1306 204.477,1307 33.083,1308 5.956,1309 34.89,1310 34.89,1311 11,1312 11.428,1313 3.7,1314 2.907,1315 37.011,1316 84,1317 60,1318 0.208,1319 159.074,1320 271.09,1321 379.9,1322 2914,1324 14.046,1325 0.702,1326 0.594,1327 14.046,1328 11.871,1329 9.86,1330 0.47,1331 0.352,1332 7.342,1333 9.616,1334 7.193,1335 6.034,1336 9.86,1337 7.401,1338 7.871,1339 0.315,1340 0.204,1341 7.871,1342 5.107,1343 6.201,1344 0.214,1345 0.12,1346 6.201,1347 3.475,1348 4.668,1349 0.146,1350 0.072,1351 4.668,1352 2.298,1353 3.013,1354 0.1,1355 0.047,1356 3.013,1357 1.415,1358 0.348,1359 60.851,1360 0.264,1361 21.147,1362 0.514,1363 92,1364 237.026,1365 97.628,1366 232.789,1367 311.99,1368 218,1369 100,1370 219.566,1371 106.018,1372 224.552,1373 317.14,1374 211,1375 6.873} {0 CHEMBL157346,1 1.386,2 9.261,3 3.418,4 11.68,5 92.5,6 6.489,7 0.44,8 3.935,9 4.074,10 3.388,11 3.472,12 4.899,13 3.419,14 4.513,15 4.717,16 3.7,17 3.887,18 5.399,19 3.792,20 4.8,21 5.052,22 3.676,23 4.025,24 5.599,25 3.88,26 4.841,27 5.11,28 3.625,29 4.024,30 5.609,31 3.862,32 4.827,33 5.101,34 3.642,35 4.016,36 5.584,37 3.856,38 4.81,39 5.076,40 3.626,41 4.004,42 5.582,43 3.845,44 4.832,45 5.119,46 3.548,47 3.963,48 5.55,49 3.789,50 4.762,51 5.059,52 3.412,53 3.825,54 5.518,55 3.648,56 0.046,57 0.7,58 11.291,59 4.534,60 6.973,61 6.571,62 0.204,63 1.139,64 20.654,65 7.819,66 17.056,67 11.487,68 0.209,69 1.359,70 27.685,71 10.448,72 26.584,73 15.308,74 0.22,75 1.386,76 28.854,77 10.78,78 29.945,79 15.942,80 0.19,81 1.367,82 28.337,83 10.81,84 27.778,85 15.978,86 0.201,87 1.372,88 27.945,89 10.354,90 26.778,91 15.46,92 0.25,93 1.382,94 28.742,95 10.078,96 25.001,97 15.419,98 0.233,99 1.238,100 26.969,101 9.039,102 25.667,103 13.954,104 9,105 33,106 0.238,107 0.575,108 0.797,109 0.878,110 0.892,111 0.892,112 3.188,113 1.037,114 -4.41,115 -4.34,116 -4.1,118 39.6,119 1,120 6,121 1,124 1,140 3,141 2,142 1,143 1,149 1,154 1,156 1,168 12,171 1,172 2,175 1,177 3,180 13,186 3,191 3,194 13,198 6,203 1,206 11,210 7,215 1,218 9,222 6,227 1,229 7,234 6,237 1,239 1,242 6,247 3,252 1,255 4,258 1,259 3,262 1,264 1,267 2,270 804,271 15.87,272 15.87,273 15.87,274 15.87,275 15.87,276 14.394,277 16.053,278 9.798,279 16.072,280 12.357,281 12.357,282 12.357,283 12.357,284 12.357,285 10.081,286 16.089,287 4.677,288 12.668,289 4.199,290 2.236,291 0.948,292 0.474,293 0.391,294 0.391,295 3.872,298 1,299 1,300 1,301 452,302 3.24,305 67.697,306 122.675,310 104.46,313 1.403,314 14.246,315 1,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 48.5,326 213,327 4.336,328 3.619,329 6.306,330 4.009,331 3.019,332 3.953,333 1.907,334 9.647,335 2.988,336 3.99,337 3.161,338 6.031,339 3.721,340 2.746,341 3.494,342 0.149,343 8.728,344 2.684,345 3.78,346 2.833,347 5.328,348 3.361,349 2.424,350 3.096,352 6.893,353 2.267,354 3.466,355 2.518,356 4.959,357 3.128,358 2.109,359 2.649,361 5.81,362 2.127,363 2.924,364 1.863,365 4.449,366 2.714,367 1.714,368 2.062,370 4.428,371 1.714,372 2.858,373 1.744,374 4.315,375 2.603,376 1.618,377 1.917,379 4.123,380 1.592,381 2.646,382 1.461,383 3.602,384 2.388,385 1.41,386 1.673,388 3.007,389 1.378,390 2.379,391 1.169,392 3.362,393 2.056,394 1.112,395 1.358,397 2.4,398 1.046,399 2.118,400 1.009,401 3.269,402 1.724,403 0.732,404 0.927,406 1.711,407 0.725,408 1.939,409 0.753,410 3,411 1.575,412 0.618,413 0.853,415 1.372,416 0.579,417 1.66,418 0.618,419 2.765,420 1.553,421 0.583,422 0.62,424 1.053,425 0.575,426 1.274,427 0.551,428 2.626,429 0.899,430 -0.121,431 -0.152,433 -0.286,434 -0.122,435 0.82,436 -0.192,437 2.38,438 0.717,439 -0.262,440 -0.275,442 -0.485,443 -0.255,444 0.697,445 -0.251,446 2.269,447 0.369,448 -0.618,449 -0.729,451 -1.645,452 -0.607,453 0.618,454 -0.325,455 2.064,456 0.303,457 -0.692,458 -0.804,460 -1.82,461 -0.682,462 11.033,463 0.48,464 0.414,465 0.018,466 26.5,467 1.152,468 12,469 0.522,470 14.5,471 0.63,472 20.899,473 0.909,474 25.567,475 0.533,476 16.273,477 0.708,478 4.625,479 0.201,480 6.633,481 0.288,482 0.076,484 0.263,487 0.751,488 1.419,489 0.921,490 1.186,491 0.537,492 1.085,493 0.712,494 1.12,495 0.997,496 1.09,497 0.53,498 1.07,499 0.94,500 1.041,501 1.016,502 1.056,503 0.979,504 1.049,505 0.844,506 0.984,507 0.995,508 1.023,509 0.795,510 1.024,511 0.66,512 0.984,513 0.892,514 0.996,515 0.575,516 0.972,517 0.783,518 1.095,519 1.001,520 1.073,521 0.692,522 1.061,523 0.714,524 0.985,525 1,526 1.001,527 0.443,528 1.015,529 0.926,530 0.996,531 0.979,532 0.968,533 0.742,534 0.97,535 4,536 0.075,537 2,538 0.972,539 1.182,540 0.458,541 0.347,542 0.32,543 0.183,544 0.147,545 5514,546 12131,547 2.093,548 52.1,549 13,550 5,551 1,552 2,553 1,554 2,555 1,558 1.662,559 2,560 3.179,561 -0.369,563 1,567 66.516,568 1.386,569 3.349,570 4.637,571 5.111,572 5.194,573 5.194,574 2.682,575 4.263,576 4.49,577 3.335,578 843.664,579 7.76,580 9723.5,582 1,584 1,585 268.078,586 1.214,587 4.473,588 0.16,589 0.009,590 0.061,591 0.031,592 0.041,593 0.015,594 0.012,595 0.012,596 0.008,597 0.01,598 0.36,599 0.33,600 1,601 1.29,602 107.359,603 0.007,604 -0.165,605 0.057,606 -0.042,607 0.032,608 0.003,609 0.123,610 0.022,611 -0.019,612 -0.032,613 0.085,614 -0.039,615 -0.064,616 -0.041,617 -0.049,618 -0.035,619 -0.064,620 -0.04,621 -0.048,622 -0.007,623 -0.036,624 -0.02,625 -0.024,626 -0.024,627 0.023,628 -0.021,629 0.057,630 0.015,631 0.057,632 0.036,633 -0.034,634 -0.103,635 -0.043,636 -0.067,637 -0.025,638 -0.059,639 -0.003,640 0.003,641 -0.04,642 -0.038,643 -0.013,644 -0.041,645 -0.039,646 -0.044,647 -0.006,648 -0.029,649 -0.021,650 -0.014,651 1.539,652 4.509,653 0.652,654 20.216,655 0.987,656 1.131,657 3.183,658 10.129,659 0.643,660 3.258,661 3.526,662 3.761,663 4.007,664 4.205,665 4.277,666 4.407,667 4.511,668 4.543,669 4.443,670 5.63,671 0.595,672 311.47,673 3.258,674 4.762,675 5.587,676 6.441,677 7.29,678 8.153,679 9.012,680 9.88,681 10.745,682 11.616,683 6.3,690 1,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 48,726 12,727 1,728 25,730 50,731 19,733 9,734 3,735 3,739 3,740 4,745 1,748 2,751 6,753 10,754 9,755 1,756 1,761 1,765 1,768 1,769 1,772 25,773 3,774 1,775 4,778 1,779 3,784 0.667,785 1,801 1,802 2,806 1,816 1,832 2,836 1,840 23,846 7,847 1,850 1,862 2.1,865 1,869 11.5,870 8.65,871 5.222,872 3.318,874 1.865,875 1.275,876 0.968,877 5.372,878 8.653,879 3.481,880 3.984,881 4.462,882 4.973,883 5.346,884 5.56,885 5.89,886 6.181,887 6.394,888 6.49,889 1,890 31,891 8.536,893 3.537,894 7.543,895 16.925,897 14.051,899 2.043,900 47,901 0.001,903 1,904 282.506,905 95.113,906 36.695,908 25.145,911 95.113,912 307.651,913 36.695,914 8.825,915 35.324,916 37.476,917 78.796,918 20.074,919 11.771,920 247.193,922 282.506,923 131.808,924 25.145,927 270.735,928 36.916,931 63.714,932 51.309,933 16.786,935 282.506,936 61.84,937 95.113,940 282.506,941 31.145,942 65.866,943 18.011,944 41.93,945 282.506,946 61.84,947 95.113,949 0.56,950 0.316,951 0.173,952 0.094,953 15,954 6,955 0.14,956 7,957 1,958 1.133,959 3.589,960 177.631,961 0.133,962 15,963 104.042,968 16.104,969 7.673,970 4.156,972 59.941,973 12.311,974 4.159,978 3.637,979 2.165,980 18.011,981 439.46,982 31.5,987 11.509,991 0.128,994 47.352,995 54.272,996 0.248,997 0.6,998 0.83,999 0.915,1000 0.93,1001 0.93,1002 4.689,1003 1.112,1004 5.533,1005 3.007,1006 4.205,1007 4.668,1008 1.953,1009 6.282,1010 4.16,1011 5.841,1012 0.732,1013 7.045,1014 2.4,1015 3.611,1016 4.29,1017 1.593,1018 7.034,1019 3.563,1020 7.11,1021 0.618,1022 8.657,1023 1.711,1024 5.727,1025 6.724,1026 2.904,1027 10.126,1028 5.641,1029 8.415,1030 0.583,1031 10.33,1032 1.372,1033 5.994,1034 7.211,1035 3.032,1036 11.727,1037 5.902,1038 9.753,1039 -0.121,1040 12.042,1041 1.053,1042 7.519,1043 9.064,1044 4.037,1045 14.295,1046 7.4,1047 11.113,1048 -0.262,1049 13.782,1050 -0.286,1051 8.2,1052 9.958,1053 4.409,1054 16.25,1055 8.075,1056 12.49,1057 -0.618,1058 15.54,1059 -0.485,1060 9.472,1061 11.561,1062 5.25,1063 18.626,1064 9.328,1065 3.019,1066 -0.692,1067 17.313,1068 -1.645,1069 10.358,1070 12.662,1071 5.75,1072 20.739,1073 10.208,1074 2.746,1075 9.647,1076 19.097,1077 -1.82,1078 11.52,1079 14.146,1080 6.501,1081 23.037,1082 11.356,1083 2.424,1084 8.728,1085 20.889,1086 3.953,1087 12.507,1088 15.36,1089 7.068,1090 25.222,1091 12.337,1092 2.109,1093 6.893,1094 22.687,1095 3.494,1096 13.622,1097 16.786,1098 7.771,1099 27.49,1100 13.441,1101 1.714,1102 5.81,1103 24.491,1104 3.096,1105 14.659,1106 18.063,1107 8.374,1108 29.71,1109 14.472,1110 1.618,1111 4.428,1112 26.299,1113 2.649,1114 15.756,1115 19.459,1116 9.051,1117 31.966,1118 15.559,1119 1.41,1120 4.123,1121 28.11,1122 2.062,1123 16.819,1124 20.772,1125 9.674,1126 34.203,1127 16.615,1128 5401,1129 8138,1130 16.989,1131 30.847,1132 36.499,1133 37.183,1134 36.692,1135 36.105,1136 36.171,1137 45.206,1138 4.112,1139 98.344,1140 35.352,1141 5.28,1142 5.619,1143 6.215,1144 5.051,1145 5.019,1146 6.953,1147 3.306,1148 16.172,1149 4.988,1150 8.903,1151 1.46,1152 1.487,1153 1.468,1154 1.444,1155 1.447,1156 1.808,1157 0.164,1158 3.934,1159 1.414,1160 4.044,1161 4.085,1162 3.98,1163 3.959,1164 7.429,1165 3.958,1166 3.895,1167 3.953,1168 3.835,1169 3.711,1170 4.956,1171 3.731,1172 3.719,1173 3.785,1174 3.574,1175 3.579,1176 4.724,1177 3.57,1178 3.562,1179 3.613,1180 3.439,1181 3.419,1182 4.198,1183 3.416,1184 3.352,1185 3.419,1186 3.186,1187 3.207,1188 4.046,1189 3.192,1190 3.089,1191 3.178,1192 2.932,1193 2.911,1194 3.848,1195 2.895,1196 3.051,1197 3.119,1198 2.851,1199 2.841,1200 3.726,1201 2.847,1202 2.723,1203 2.825,1204 2.585,1205 2.545,1206 3.632,1207 2.542,1208 0.173,1209 0.145,1210 0.252,1211 0.16,1212 0.121,1213 4.336,1214 0.158,1215 3.619,1216 0.076,1217 6.306,1218 0.386,1219 4.009,1220 0.12,1221 3.019,1222 3.953,1223 1.907,1224 9.647,1225 2.988,1226 1.995,1227 1.967,1228 2.115,1229 2.095,1230 1.432,1231 2.102,1232 1.77,1233 1.713,1234 1.999,1235 1.938,1236 1.276,1237 1.958,1238 1.624,1239 1.558,1240 1.854,1241 1.827,1242 1.145,1243 1.841,1244 1.461,1245 1.409,1246 1.655,1247 1.653,1248 0.844,1249 1.657,1250 1.344,1251 1.275,1252 1.636,1253 1.541,1254 0.823,1255 1.579,1256 1.28,1257 1.202,1258 1.477,1259 1.523,1260 0.537,1261 1.512,1262 1.043,1263 0.972,1264 1.329,1265 1.289,1266 0.396,1267 1.302,1268 0.961,1269 0.897,1270 1.223,1271 1.215,1272 0.307,1273 1.235,1274 3.932,1276 5.209,1277 2.398,1278 6.678,1279 4.443,1280 8.245,1281 6.26,1282 9.867,1284 2.243,1290 7.38,1291 2.97,1294 0.499,1300 28.574,1301 66.516,1302 160.755,1303 222.568,1304 245.323,1305 249.323,1306 249.323,1307 35.616,1308 6.788,1309 46.92,1310 46.92,1311 17,1312 12.16,1313 3.7,1314 2.907,1315 36.621,1316 74,1317 85,1318 0.235,1319 177.659,1320 304.33,1321 425.249,1322 6920,1324 16.071,1325 0.699,1326 0.6,1327 16.071,1328 13.794,1329 11.258,1330 0.45,1331 0.346,1332 8.568,1333 10.951,1334 8.358,1335 6.986,1336 11.258,1337 8.644,1338 9.654,1339 0.293,1340 0.194,1341 9.654,1342 6.417,1343 7.872,1344 0.187,1345 0.111,1346 7.872,1347 4.643,1348 6.465,1349 0.12,1350 0.061,1351 6.465,1352 3.311,1353 5.041,1354 0.076,1355 0.035,1356 5.041,1357 2.325,1358 0.362,1359 69.648,1360 0.243,1361 22.539,1362 0.664,1363 116,1364 279.359,1365 123.793,1366 274.857,1367 377.07,1368 258,1369 133,1370 276.819,1371 140.85,1372 282.515,1373 407.06,1374 266,1375 4.602} {0 CHEMBL158201,1 1.448,2 8.565,3 2.565,4 6.577,5 89.152,6 7.585,7 0.654,8 3.798,9 3.915,10 3.399,11 3.406,12 4.898,13 3.382,14 4.315,15 4.471,16 3.748,17 3.816,18 5.369,19 3.765,20 4.579,21 4.776,22 3.752,23 3.948,24 5.55,25 3.857,26 4.633,27 4.858,28 3.746,29 3.956,30 5.588,31 3.859,32 4.606,33 4.815,34 3.77,35 3.979,36 5.61,37 3.88,38 4.645,39 4.885,40 3.63,41 3.914,42 5.576,43 3.79,44 4.493,45 4.754,46 3.396,47 3.702,48 5.331,49 3.562,50 4.303,51 4.571,52 3.118,53 3.418,54 5.228,55 3.27,56 0.02,57 0.578,58 7.602,59 3.453,60 5.804,61 4.501,62 0.146,63 0.962,64 13.944,65 5.846,66 14.955,67 7.788,68 0.147,69 1.176,70 19.975,71 8.186,72 27.79,73 10.929,74 0.185,75 1.24,76 22.09,77 8.581,78 27.651,79 11.738,80 0.108,81 1.204,82 20.659,83 8.769,84 26.226,85 11.987,86 0.206,87 1.254,88 22.797,89 8.867,90 31.622,91 12.302,92 0.131,93 1.071,94 20.057,95 7.684,96 22.892,97 10.967,98 0.223,99 0.877,100 17.114,101 6.09,102 25.716,103 8.626,104 2,105 36,106 0.253,107 0.58,108 0.741,109 0.855,110 0.879,111 0.879,112 3.19,113 0.896,114 -4.18,115 -4.12,116 -3.9,118 47.5,120 2,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 12,171 1,172 3,175 1,177 3,180 13,186 5,191 3,194 12,198 8,203 1,206 11,210 8,218 11,222 6,225 1,227 1,229 9,234 2,239 2,242 6,246 1,247 2,250 1,252 2,255 3,259 2,264 1,267 1,270 722,271 15.999,272 15.999,273 15.999,274 15.999,275 15.999,276 13.822,277 19.086,278 9.618,279 16.197,280 12.886,281 12.886,282 12.886,283 12.886,284 12.886,285 9.649,286 26.348,287 4.605,288 13.196,289 3.874,290 2.01,291 1.088,292 0.438,293 0.3,294 0.3,295 3.891,298 1,299 1,300 1,301 437,302 2.449,305 59.802,306 184.301,310 96.256,313 1.274,314 13.934,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 48.5,326 197,327 4.436,328 3.622,329 6.791,330 4.142,331 3.168,332 4.016,333 1.907,334 11.201,335 3.089,336 4.188,337 3.512,338 6.186,339 3.859,340 2.881,341 3.708,342 1.152,343 9.232,344 2.817,345 3.748,346 2.919,347 5.255,348 3.259,349 2.291,350 3.313,351 0.149,352 6.428,353 2.261,354 3.623,355 2.354,356 5.22,357 3.235,358 2.24,359 2.939,361 6.373,362 2.175,363 3.37,364 2.195,365 4.923,366 2.962,367 1.961,368 2.602,370 5.597,371 1.948,372 2.926,373 1.863,374 4.414,375 2.603,376 1.618,377 2.085,379 4.373,380 1.592,381 2.905,382 1.556,383 3.924,384 2.458,385 1.468,386 2.052,388 3.286,389 1.453,390 2.57,391 1.19,392 3.483,393 2.071,394 1.13,395 1.6,397 2.56,398 1.06,399 2.5,400 1.012,401 3.281,402 2,403 1,404 1.5,406 2.136,407 1,408 2.118,409 1,410 3.247,411 1.723,412 0.734,413 0.927,415 1.749,416 0.724,417 1.966,418 0.768,419 3.092,420 1.554,421 0.618,422 0.876,424 1.372,425 0.577,426 1.642,427 0.618,428 3,429 1.275,430 0.299,431 0.387,433 0.811,434 0.291,435 1.201,436 0.361,437 2.506,438 0.802,439 -0.216,440 -0.279,442 -0.525,443 -0.217,444 0.698,445 -0.26,446 2.341,447 0.368,448 -0.618,449 -0.729,451 -1.817,452 -0.608,453 0.648,454 -0.394,455 2.267,456 0.229,457 -0.782,458 -1.061,460 -1.833,461 -0.786,462 11.033,463 0.48,464 0.448,465 0.019,466 33,467 1.435,468 18,469 0.783,470 15,471 0.652,472 15.348,473 0.667,474 23.167,475 0.579,476 22.167,477 0.964,478 6.537,479 0.284,480 4.773,481 0.208,482 0.03,484 0.308,487 0.731,488 1.211,489 0.749,490 0.964,491 0.54,492 0.871,493 0.726,494 1.055,495 0.928,496 0.995,497 0.592,498 0.981,499 1.046,500 1.087,501 1.067,502 1.08,503 1.088,504 1.08,505 0.984,506 0.92,507 0.982,508 0.919,509 0.82,510 0.94,511 0.695,512 1.072,513 0.944,514 1.072,515 0.631,516 1.045,517 0.845,518 0.964,519 1.057,520 1.017,521 0.778,522 1.052,523 0.656,524 1.087,525 0.992,526 1.066,527 0.468,528 1.061,529 0.91,530 0.983,531 1.101,532 1.046,533 0.928,534 1.083,535 3.5,536 0.045,537 2.222,538 1.465,539 1.088,540 0.459,541 0.511,542 0.197,543 0.165,544 0.109,545 5511,546 14085,547 2.196,548 42.5,549 2,550 9,551 1,552 2,553 1,554 2,558 1.663,559 2.123,560 3.046,561 -0.369,562 1,563 1,565 1,567 57.925,568 1.448,569 3.311,570 4.234,571 4.884,572 5.022,573 5.022,574 2.496,575 4.056,576 4.495,577 3.186,578 806.124,579 7.773,580 8884.2,581 1,582 1,584 1,585 212.877,586 1.121,587 4.483,588 0.135,589 0.009,590 0.062,591 0.042,592 0.031,593 0.013,594 0.017,595 0.009,596 0.01,597 0.011,598 0.338,599 0.67,600 1,601 0.393,602 105.325,603 -0.022,604 -0.126,605 0.058,606 -0.016,607 -0.012,608 0.021,609 0.099,610 0.021,611 -0.066,612 -0.055,613 0.015,614 -0.076,615 -0.12,616 -0.105,617 -0.137,618 -0.104,619 -0.137,620 -0.121,621 -0.103,622 0.065,623 -0.019,624 0.056,625 -0.022,626 0.036,627 -0.005,628 -0.113,629 -0.019,630 -0.077,631 0.038,632 -0.055,633 -0.046,634 0.008,635 -0.084,636 -0.038,637 -0.075,638 -0.062,639 0.01,640 -0.129,642 -0.083,643 -0.003,644 -0.049,645 0.107,646 -0.01,647 -0.064,648 -0.085,649 -0.025,650 -0.093,651 1.57,652 4.529,653 0.913,654 16.216,655 0.995,656 1.115,657 2.95,658 8.701,659 0.695,660 3.296,661 3.611,662 3.912,663 4.22,664 4.443,665 4.511,666 4.682,667 4.796,668 4.852,669 4.745,670 5.11,671 0.662,672 303.39,673 3.296,674 4.828,675 5.687,676 6.569,677 7.447,678 8.337,679 9.223,680 10.116,681 11.005,682 11.899,683 7.5,690 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,724 40,726 18,727 2,728 26,730 43,731 19,733 15,734 4,735 8,739 4,740 5,748 2,751 3,753 16,754 3,756 1,761 1,765 1,768 1,769 1,772 17,773 3,774 1,775 4,778 1,779 3,784 0.75,785 1,801 1,802 3,806 1,816 1,832 3,840 23,846 2,847 1,850 1,862 2.5,865 1,869 10.833,870 7.067,871 5.028,872 2.396,874 2.337,875 1.332,876 1.029,877 3.622,878 9.369,879 3.597,880 4.178,881 4.731,882 5.323,883 5.798,884 6.051,885 6.512,886 6.905,887 7.204,888 7.367,889 0.833,890 35,891 8.483,893 3.646,894 7.638,895 16.445,897 13.861,899 2.138,900 49.167,903 1,904 188.338,905 124.611,906 36.695,908 25.145,911 124.611,912 213.483,913 36.695,915 23.08,916 84.857,917 78.796,918 23.26,919 11.771,920 153.024,922 188.338,923 161.306,924 25.145,927 188.338,928 25.145,931 42.645,932 101.876,933 16.786,935 188.338,936 61.84,937 124.611,940 188.338,941 22.087,942 104.423,943 18.011,944 41.93,945 188.338,946 61.84,947 124.611,949 0.575,950 0.339,951 0.197,952 0.108,953 19,954 7,955 0.07,956 3,957 1,958 1.095,959 3.546,960 193.761,961 0.095,962 21,963 100.042,968 14.073,969 5.92,970 2.747,972 59.941,973 22.319,974 4.197,978 4.542,979 2.11,980 18.011,981 374.789,982 35.5,987 11.529,991 0.097,994 39.818,995 44.611,996 0.272,997 0.622,998 0.796,999 0.918,1000 0.944,1001 0.944,1002 4.814,1003 1.13,1004 5.652,1005 3.286,1006 4.29,1007 4.864,1008 2.204,1009 6.463,1010 4.247,1011 6.002,1012 1,1013 7.2,1014 2.56,1015 3.761,1016 4.46,1017 1.796,1018 7.361,1019 3.705,1020 7.292,1021 0.734,1022 8.852,1023 2.136,1024 5.866,1025 6.989,1026 3.009,1027 10.506,1028 5.777,1029 8.616,1030 0.618,1031 10.571,1032 1.749,1033 6.217,1034 7.427,1035 3.118,1036 12.302,1037 6.103,1038 9.973,1039 0.299,1040 12.334,1041 1.372,1042 7.74,1043 9.366,1044 4.08,1045 14.947,1046 7.603,1047 11.353,1048 -0.216,1049 14.128,1050 0.811,1051 8.506,1052 10.215,1053 4.44,1054 17.105,1055 8.338,1056 12.749,1057 -0.618,1058 15.945,1059 -0.525,1060 9.793,1061 11.884,1062 5.267,1063 19.586,1064 9.605,1065 3.168,1066 -0.782,1067 17.78,1068 -1.817,1069 10.757,1070 12.956,1071 5.761,1072 21.892,1073 10.539,1074 2.881,1075 11.201,1076 19.628,1077 -1.833,1078 11.948,1079 14.488,1080 6.507,1081 24.319,1082 11.708,1083 2.291,1084 9.232,1085 21.487,1086 4.016,1087 13.005,1088 15.686,1089 7.072,1090 26.683,1091 12.736,1092 2.24,1093 6.428,1094 23.355,1095 3.708,1096 14.159,1097 17.144,1098 7.773,1099 29.094,1100 13.867,1101 1.961,1102 6.373,1103 25.229,1104 3.313,1105 15.259,1106 18.415,1107 8.376,1108 31.484,1109 14.939,1110 1.618,1111 5.597,1112 27.109,1113 2.939,1114 16.4,1115 19.835,1116 9.052,1117 33.892,1118 16.057,1119 1.468,1120 4.373,1121 28.994,1122 2.602,1123 17.521,1124 21.149,1125 9.674,1126 36.293,1127 17.15,1128 5172,1129 8353,1130 18.087,1131 27.801,1132 39.213,1133 39.617,1134 39.171,1135 38.744,1136 38.818,1137 52.011,1138 6.416,1139 110.234,1140 37.973,1141 5.381,1142 5.622,1143 6.593,1144 5.192,1145 5.168,1146 7.016,1147 3.306,1148 18.065,1149 5.089,1150 6.154,1151 1.508,1152 1.524,1153 1.507,1154 1.49,1155 1.493,1156 2,1157 0.247,1158 4.24,1159 1.46,1160 4.075,1161 4.113,1162 4.024,1163 3.99,1164 7.429,1165 3.992,1166 3.896,1167 3.938,1168 3.836,1169 3.806,1170 4.973,1171 3.805,1172 3.792,1173 3.841,1174 3.723,1175 3.627,1176 4.754,1177 3.65,1178 3.516,1179 3.553,1180 3.431,1181 3.372,1182 4.676,1183 3.377,1184 3.092,1185 3.163,1186 2.965,1187 2.965,1188 4.009,1189 2.957,1190 3.027,1191 3.071,1192 2.925,1193 2.839,1194 3.797,1195 2.854,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.674,1201 2.715,1202 2.683,1203 2.762,1204 2.565,1205 2.557,1206 3.648,1207 2.551,1208 0.171,1209 0.139,1210 0.261,1211 0.159,1212 0.122,1213 4.436,1214 0.154,1215 3.622,1216 0.073,1217 6.791,1218 0.431,1219 4.142,1220 0.119,1221 3.168,1222 4.016,1223 1.907,1224 11.201,1225 3.089,1226 2.011,1227 1.985,1228 2.11,1229 2.104,1230 1.333,1231 2.107,1232 1.872,1233 1.843,1234 1.999,1235 1.975,1236 1.167,1237 1.983,1238 1.562,1239 1.513,1240 1.736,1241 1.748,1242 0.914,1243 1.744,1244 1.4,1245 1.346,1246 1.583,1247 1.585,1248 0.705,1249 1.59,1250 1.282,1251 1.213,1252 1.451,1253 1.522,1254 0.431,1255 1.507,1256 1.02,1257 0.96,1258 1.242,1259 1.281,1260 0.305,1261 1.275,1262 0.911,1263 0.864,1264 1.181,1265 1.082,1266 0.231,1267 1.107,1268 0.886,1269 0.821,1270 1.141,1271 1.062,1272 0.218,1273 1.105,1274 3.97,1276 5.283,1277 2.398,1278 6.801,1279 4.443,1280 8.416,1281 6.293,1282 10.081,1290 1.345,1291 2.942,1294 0.085,1300 26.467,1301 57.925,1302 132.459,1303 169.367,1304 195.367,1305 200.877,1306 200.877,1307 29.145,1308 7.032,1309 46.92,1310 46.92,1311 23,1312 12.426,1313 4.248,1314 3.392,1315 31.608,1316 68,1317 77,1318 0.225,1319 161.484,1320 273.15,1321 385.781,1322 9001,1324 15.648,1325 0.68,1326 0.55,1327 15.648,1328 12.645,1329 11.31,1330 0.435,1331 0.299,1332 7.688,1333 11.008,1334 7.537,1335 6.227,1336 11.31,1337 7.762,1338 10.031,1339 0.279,1340 0.161,1341 10.031,1342 5.788,1343 8.598,1344 0.175,1345 0.087,1346 8.598,1347 4.279,1348 7.526,1349 0.112,1350 0.047,1351 7.526,1352 3.168,1353 6.077,1354 0.072,1355 0.026,1356 6.077,1357 2.209,1358 0.339,1359 69.918,1360 0.235,1361 22.105,1362 0.659,1363 124,1364 319.359,1365 132.126,1366 316.957,1367 440.22,1368 298,1369 147,1370 328.172,1371 155.35,1372 335.828,1373 489.13,1374 317,1375 6.456} {0 CHEMBL158687,1 1.485,2 12.212,3 4.024,4 16.189,5 124.406,6 7.152,7 0.343,8 4.215,9 4.318,10 3.731,11 3.731,12 5.342,13 3.709,14 4.773,15 4.929,16 4.09,17 4.102,18 5.877,19 4.064,20 5.069,21 5.242,22 4.207,23 4.273,24 6.125,25 4.216,26 5.225,27 5.447,28 4.17,29 4.316,30 6.217,31 4.241,32 5.133,33 5.325,34 4.215,35 4.401,36 6.118,37 4.31,38 5.332,39 5.57,40 4.216,41 4.453,42 6.294,43 4.334,44 5.336,45 5.593,46 4.094,47 4.365,48 6.305,49 4.239,50 5.138,51 5.395,52 3.971,53 4.268,54 6.022,55 4.138,56 0.036,57 0.827,58 13.379,59 6.301,60 18.317,61 7.9,62 0.402,63 1.313,64 25.81,65 10.277,66 59.356,67 13.262,68 0.601,69 1.666,70 36.069,71 13.311,72 73.175,73 17.176,74 0.92,75 1.837,76 45.025,77 14.738,78 104.556,79 19.438,80 0.309,81 1.887,82 37.404,83 14.962,84 62.446,85 20.045,86 0.507,87 2.193,88 47.987,89 17.271,90 96.246,91 24.205,92 0.938,93 2.072,94 50.708,95 16.536,96 132.247,97 23.131,98 0.493,99 1.794,100 40.241,101 14.367,102 74.853,103 20.31,104 46,105 48,106 0.238,107 0.599,108 0.808,109 0.872,110 0.882,111 0.882,112 3.532,113 0.946,114 -3.64,115 -3.61,116 -3.44,118 41.3,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 3,142 1,143 2,154 2,163 1,167 1,168 12,169 1,171 1,172 11,175 1,177 1,180 12,181 1,185 2,186 13,191 1,194 9,195 1,197 2,198 9,203 1,206 10,207 1,210 13,215 1,218 14,219 1,221 1,222 15,227 1,229 9,230 1,233 3,234 10,239 1,242 11,247 2,248 2,255 14,256 1,258 2,259 7,262 2,264 1,267 15,268 1,270 2109,271 21.93,272 21.93,273 21.93,274 21.93,275 21.93,276 19.84,277 23.706,278 13.147,279 22.206,280 17.219,281 17.219,282 17.219,283 17.219,284 17.219,285 14.165,286 27.306,287 6.165,288 17.711,289 4.493,290 2.243,291 0.943,292 0.544,293 0.48,294 0.48,295 4.211,299 1,300 1,301 833,302 4.416,306 356.511,313 2.184,314 39.158,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 72,326 403,327 4.499,328 4.08,329 7.323,330 4.374,331 3.422,332 4.059,333 2.341,334 12.597,335 3.252,336 4.278,337 3.802,338 6.509,339 3.98,340 3.01,341 3.59,342 2.035,343 10.222,344 2.914,345 4.114,346 3.597,347 6.419,348 3.876,349 2.893,350 3.332,351 1.465,352 9.77,353 2.84,354 3.571,355 3.348,356 5.25,357 3.257,358 2.265,359 2.732,360 0.86,361 6.411,362 2.237,363 3.564,364 3.043,365 5.018,366 3.217,367 2.222,368 2.693,369 0.811,370 5.573,371 2.193,372 3.51,373 2.497,374 4.865,375 2.97,376 1.975,377 2.672,379 5.186,380 1.964,381 3.119,382 2.281,383 4.659,384 2.728,385 1.758,386 2.204,388 5.102,389 1.696,390 2.913,391 2.104,392 4.142,393 2.553,394 1.591,395 2.062,397 3.679,398 1.528,399 2.905,400 1.956,401 4.001,402 2.444,403 1.473,404 1.924,406 3.364,407 1.422,408 2.84,409 1.862,410 3.636,411 2.373,412 1.389,413 1.604,415 3.134,416 1.362,417 2.596,418 1.572,419 3.48,420 1.958,421 1,422 1.5,424 2.477,425 0.955,426 2.5,427 1.399,428 3.313,429 1.913,430 1,431 1.156,433 2.136,434 0.903,435 2.17,436 1.217,437 3.247,438 1.776,439 0.787,440 1.134,442 1.683,443 0.772,444 1.919,445 1,446 3.052,447 1.648,448 0.708,449 0.831,451 1.413,452 0.662,453 1.497,454 0.924,455 2.865,456 1.061,457 0.122,458 0.165,460 0.234,461 0.113,462 15.467,463 0.469,464 0.858,465 0.026,466 38.25,467 1.159,468 18,469 0.545,470 20.25,471 0.614,472 34.739,473 1.053,474 36.733,475 0.583,476 31.237,477 0.947,478 7.434,479 0.225,480 8.38,481 0.254,482 0.166,483 0.032,484 0.259,487 0.819,488 1.261,489 0.828,490 1.196,491 0.695,492 1.045,493 0.932,494 1.076,495 0.881,496 1.067,497 0.517,498 0.981,499 1.231,500 1.161,501 1.084,502 1.165,503 0.847,504 1.114,505 1.525,506 0.75,507 1.07,508 0.757,509 0.862,510 0.825,511 0.876,512 1.239,513 1.055,514 1.233,515 0.642,516 1.189,517 0.829,518 1.129,519 1.013,520 1.146,521 0.697,522 1.115,523 1.131,524 0.821,525 1.039,526 0.851,527 0.908,528 0.917,529 0.825,530 0.909,531 0.942,532 0.92,533 0.694,534 0.945,535 7,536 0.215,537 4.222,538 2.313,539 2.138,540 1.556,541 0.669,542 0.498,543 0.542,544 0.316,545 14181,546 41457,547 1.987,548 47.6,549 7,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.757,559 1.842,560 3.536,561 -0.382,563 1,567 93.541,568 1.485,569 3.734,570 5.035,571 5.433,572 5.497,573 5.497,574 3.106,575 4.741,576 5.007,577 3.778,578 1994.96,579 8.803,580 30055,582 1,585 376.569,586 1.573,587 4.957,588 0.2,589 0.006,590 0.088,591 0.045,592 0.043,593 0.029,594 0.013,595 0.011,596 0.013,597 0.008,598 0.457,599 0.33,600 1,601 1.609,602 175.128,603 -0.034,604 -0.091,605 0.039,606 -0.054,607 -0.042,608 -0.003,609 0.109,610 -0.013,611 0.066,612 -0.009,613 0.132,614 0.019,615 -0.009,616 -0.155,617 -0.096,618 -0.145,619 -0.048,620 -0.138,621 -0.184,622 0.192,623 -0.029,624 0.201,625 -0.057,626 0.125,627 -0.067,628 -0.199,629 -0.128,630 -0.186,631 -0.017,632 -0.173,633 -0.011,634 -0.137,635 -0.051,636 -0.16,637 -0.019,638 -0.118,639 -0.069,640 0.117,641 -0.021,642 0.093,643 -0.058,644 0.05,645 -0.054,646 0.06,647 0.023,648 0.063,649 -0.047,650 0.06,651 2.476,652 3.713,653 0.545,654 39.355,655 1.003,656 1.125,657 2.406,658 5.79,659 0.65,660 3.584,661 3.892,662 4.111,663 4.331,664 4.575,665 4.615,666 4.691,667 4.762,668 4.883,669 4.934,670 7.431,671 0.619,672 450.58,673 3.584,674 5.118,675 5.948,676 6.821,677 7.679,678 8.561,679 9.433,680 10.32,681 11.199,682 12.091,683 3.2,692 1,693 1,699 7,700 1,704 4,706 12,707 1,722 1,724 63,726 15,727 1,728 35,730 65,731 26,733 11,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,752 1,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 30,773 7,774 1,775 7,779 2,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 33,845 1,846 4,848 3,850 3,852 1,853 1,858 1,860 1,862 7.9,864 1,865 1,866 2,867 1,869 17.917,870 12.017,871 7.403,872 3.754,874 2.124,875 1.286,876 0.903,877 8.494,878 9.549,879 3.829,880 4.304,881 4.741,882 5.196,883 5.654,884 5.668,885 5.876,886 5.994,887 6.21,888 6.467,889 1,890 51,891 12.242,893 5.144,894 7.881,895 23.125,897 18.658,899 2.381,900 78.583,903 1,904 341.362,905 155.772,906 47.845,908 100.828,911 155.772,912 442.19,913 47.845,914 26.476,915 12.196,916 66.693,917 147.667,918 74.954,919 11.771,920 306.049,922 341.362,923 203.616,924 100.828,927 258.964,928 161.226,929 22,930 0.36,931 87.826,932 79.693,933 35.738,935 341.362,936 148.673,937 155.772,940 341.722,941 27.906,942 110.904,943 16.602,944 148.673,945 341.362,946 148.673,947 155.772,949 0.574,950 0.325,951 0.17,952 0.097,953 20,954 10,955 0.138,956 9,958 1,959 4.258,960 294.924,962 18,963 162.465,968 24.766,969 11.317,970 6.569,972 148.673,973 12.814,974 4.241,978 2.802,980 42.683,981 645.806,982 45,987 10.713,989 3.868,991 -0.81,994 63.211,995 70.856,996 0.248,997 0.625,998 0.842,999 0.909,1000 0.92,1001 0.92,1002 5.081,1003 1.591,1004 5.953,1005 5.102,1006 4.575,1007 4.99,1008 3.216,1009 6.788,1010 4.513,1011 6.274,1012 1.473,1013 7.535,1014 3.679,1015 4.29,1016 4.691,1017 2.243,1018 7.978,1019 4.201,1020 7.572,1021 1.389,1022 9.238,1023 3.364,1024 6.225,1025 7.024,1026 4.42,1027 11.025,1028 6.094,1029 8.901,1030 1,1031 11.016,1032 3.134,1033 6.781,1034 7.517,1035 4.112,1036 13.059,1037 6.605,1038 10.263,1039 1,1040 12.845,1041 2.477,1042 8.227,1043 9.361,1044 5.842,1045 15.707,1046 8.011,1047 11.647,1048 0.787,1049 14.709,1050 2.136,1051 9.151,1052 10.242,1053 5.889,1054 18.037,1055 8.881,1056 13.05,1057 0.708,1058 16.597,1059 1.683,1060 10.424,1061 11.869,1062 7.361,1063 20.576,1064 10.112,1065 3.422,1066 0.122,1067 18.503,1068 1.413,1069 11.507,1070 12.963,1071 7.625,1072 23.015,1073 11.139,1074 3.01,1075 12.597,1076 20.423,1077 0.234,1078 12.724,1079 14.478,1080 8.931,1081 25.529,1082 12.308,1083 2.893,1084 10.222,1085 22.354,1086 4.059,1087 13.875,1088 15.693,1089 9.342,1090 28.013,1091 13.403,1092 2.265,1093 9.77,1094 24.293,1095 3.59,1096 15.077,1097 17.15,1098 10.535,1099 30.526,1100 14.555,1101 2.222,1102 6.411,1103 26.239,1104 3.332,1105 16.259,1106 18.436,1107 11.051,1108 33.031,1109 15.681,1110 1.975,1111 5.573,1112 28.19,1113 2.732,1114 17.461,1115 19.861,1116 12.161,1117 35.548,1118 16.83,1119 1.758,1120 5.186,1121 30.146,1122 2.693,1123 18.658,1124 21.19,1125 12.755,1126 38.064,1127 17.972,1128 14132,1129 24255,1130 22.652,1131 40.943,1132 53.416,1133 55.683,1134 53.272,1135 51.28,1136 51.326,1137 63.419,1138 15.023,1139 146.159,1140 49.714,1141 5.499,1142 6.08,1143 7.125,1144 5.45,1145 5.422,1146 7.059,1147 4.376,1148 20.091,1149 5.252,1150 18.968,1151 1.526,1152 1.591,1153 1.522,1154 1.465,1155 1.466,1156 1.812,1157 0.429,1158 4.176,1159 1.42,1160 4,1161 4.023,1162 3.94,1163 3.899,1164 7.474,1165 3.904,1166 3.917,1167 3.944,1168 3.86,1169 3.831,1170 6.82,1171 3.833,1172 3.76,1173 3.804,1174 3.664,1175 3.645,1176 6.351,1177 3.641,1178 3.699,1179 3.734,1180 3.597,1181 3.537,1182 4.945,1183 3.544,1184 3.555,1185 3.601,1186 3.434,1187 3.399,1188 4.835,1189 3.396,1190 3.324,1191 3.353,1192 3.214,1193 3.129,1194 4.698,1195 3.134,1196 3.272,1197 3.338,1198 3.198,1199 3.111,1200 4.39,1201 3.129,1202 3.062,1203 3.134,1204 2.901,1205 2.905,1206 4.318,1207 2.899,1208 0.129,1209 0.117,1210 0.209,1211 0.125,1212 0.098,1213 4.499,1214 0.116,1215 4.08,1216 0.067,1217 7.323,1218 0.36,1219 4.374,1220 0.093,1221 3.422,1222 4.059,1223 2.341,1224 12.597,1225 3.252,1226 1.928,1227 1.909,1228 2.05,1229 2.061,1230 1.362,1231 2.055,1232 1.9,1233 1.87,1234 2.019,1235 2.003,1236 1.161,1237 2.008,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.131,1243 1.906,1244 1.662,1245 1.623,1246 1.876,1247 1.849,1248 1.069,1249 1.856,1250 1.535,1251 1.485,1252 1.772,1253 1.727,1254 0.935,1255 1.743,1256 1.261,1257 1.216,1258 1.553,1259 1.506,1260 0.647,1261 1.495,1262 1.252,1263 1.198,1264 1.494,1265 1.455,1266 0.601,1267 1.488,1268 1.042,1269 0.983,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.263,1276 5.572,1278 7.079,1280 8.681,1282 10.334,1284 5.676,1289 8.803,1290 1.725,1292 18.833,1294 -0.895,1296 -0.861,1298 9.488,1299 2.185,1300 38.992,1301 93.541,1302 235.236,1303 317.185,1304 342.304,1305 346.304,1306 346.304,1307 88.489,1308 7.425,1309 101.67,1310 101.67,1311 18,1312 12.622,1313 4,1314 3.459,1315 63.961,1316 143,1317 174,1318 0.215,1319 242.287,1320 439.03,1321 582.94,1322 16054,1324 23.847,1325 0.723,1326 0.583,1327 23.847,1328 19.231,1329 15.814,1330 0.452,1331 0.315,1332 10.891,1333 15.201,1334 10.526,1335 8.765,1336 15.814,1337 11.04,1338 14.297,1339 0.298,1340 0.181,1341 14.297,1342 8.677,1343 11.122,1344 0.185,1345 0.093,1346 11.122,1347 5.568,1348 8.856,1349 0.118,1350 0.051,1351 8.856,1352 3.816,1353 7.324,1354 0.076,1355 0.028,1356 7.324,1357 2.686,1358 0.336,1359 99.377,1360 0.21,1361 30.696,1362 0.592,1363 166,1364 520.382,1365 185.353,1366 491.713,1367 651.56,1368 458,1369 191,1370 457.461,1371 210.661,1372 460.861,1373 669.14,1374 430,1375 7.046} {0 CHEMBL159,1 1.483,2 12.559,3 4.887,4 23.886,5 222.539,6 6.932,7 0.239,8 4.863,9 4.975,10 4.371,11 4.361,12 5.876,13 4.34,14 5.497,15 5.669,16 4.852,17 4.865,18 6.462,19 4.832,20 5.856,21 6.022,22 5.143,23 5.195,24 6.866,25 5.145,26 6.181,27 6.377,28 5.362,29 5.436,30 7.157,31 5.376,32 6.348,33 6.539,34 5.473,35 5.561,36 7.383,37 5.494,38 6.488,39 6.707,40 5.465,41 5.599,42 7.527,43 5.519,44 6.463,45 6.687,46 5.392,47 5.583,48 7.455,49 5.482,50 6.437,51 6.677,52 5.276,53 5.539,54 7.365,55 5.413,56 0.065,57 1.663,58 27.078,59 11.767,60 24.99,61 15.502,62 0.792,63 2.911,64 54.655,65 20.276,66 88.63,67 27.811,68 0.941,69 4.098,70 77.849,71 29.978,72 137.813,73 40.75,74 1.685,75 5.396,76 111.231,77 39.736,78 188.432,79 54.753,80 1.508,81 6.213,82 131.061,83 47.581,84 220.698,85 64.957,86 2.648,87 6.707,88 156.727,89 51.335,90 336.164,91 71.04,92 2.401,93 6.592,94 151.705,95 51.964,96 290.123,97 72.261,98 2.233,99 6.419,100 147.915,101 51.006,102 281.335,103 72.336,104 190,105 108,106 0.209,107 0.533,108 0.785,109 0.872,110 0.894,111 0.901,112 4.097,113 0.95,114 -3.92,115 -3.88,116 -3.68,118 39.3,119 3,120 6,121 1,122 3,123 4,124 5,126 3,129 2,133 2,140 6,141 4,142 2,150 2,154 3,168 19,171 3,172 16,177 6,180 21,186 17,189 5,191 9,194 26,197 8,198 23,201 2,203 8,206 31,209 2,210 32,213 4,215 10,218 31,221 8,222 34,227 4,229 32,233 4,234 22,237 4,238 1,239 5,242 28,246 5,247 20,250 2,252 6,255 24,258 1,259 17,262 2,263 1,264 7,267 20,270 7327,271 39.761,272 39.761,273 39.761,274 39.761,275 39.761,276 37.397,277 51.454,278 21.702,279 40.721,280 32.573,281 32.573,282 32.573,283 32.573,284 32.573,285 28.585,286 68.371,287 9.627,288 33.816,289 5.388,290 3.087,291 1.297,292 0.68,293 0.524,294 0.473,295 4.815,301 1640,302 6.124,305 223.214,306 507.918,309 878.287,310 173.406,311 378.166,312 384.89,313 1.597,314 94.699,317 0.5,318 0.33,319 0.5,320 0.8,321 1,322 0.5,323 0.5,324 0.59,325 129,326 741,327 5.142,328 4.415,329 8.727,330 5.08,331 4.102,332 4.644,333 2.58,334 18.549,335 4.015,336 4.938,337 4.362,338 8.284,339 4.763,340 3.77,341 4.381,342 2.504,343 16.473,344 3.741,345 4.564,346 3.931,347 7.921,348 4.399,349 3.421,350 4.06,351 2.443,352 14.765,353 3.35,354 4.443,355 3.701,356 7.771,357 4.298,358 3.329,359 3.742,360 0.985,361 14.196,362 3.215,363 4.386,364 3.537,365 7.014,366 4.275,367 3.317,368 3.48,369 0.916,370 11.976,371 3.171,372 4.318,373 3.532,374 6.72,375 4.05,376 3.064,377 3.324,378 0.86,379 10.851,380 3.022,381 3.96,382 3.311,383 6.421,384 3.671,385 2.705,386 3.251,387 0.8,388 9.552,389 2.609,390 3.6,391 3.119,392 6.056,393 3.37,394 2.424,395 2.858,396 0.8,397 8.137,398 2.298,399 3.522,400 3.037,401 5.889,402 3.309,403 2.371,404 2.749,405 0.513,406 7.354,407 2.22,408 3.494,409 2.771,410 5.762,411 3.178,412 2.221,413 2.669,414 0.286,415 7.245,416 2.113,417 3.392,418 2.695,419 5.572,420 3.131,421 2.151,422 2.44,423 0.172,424 6.733,425 2.105,426 3.266,427 2.613,428 5.464,429 3.098,430 2.144,431 2.398,432 0.145,433 6.558,434 2.022,435 3.187,436 2.537,437 5.301,438 2.944,439 1.981,440 2.338,442 5.976,443 1.89,444 3.181,445 2.249,446 5.136,447 2.847,448 1.884,449 2.282,451 5.725,452 1.798,453 3.054,454 2.048,455 4.98,456 2.68,457 1.721,458 2.114,460 5.116,461 1.639,462 27.6,463 0.468,464 1.967,465 0.033,466 60,467 1.017,468 20.5,469 0.347,470 39.5,471 0.669,472 102.997,473 1.746,474 67.2,475 0.574,476 72.027,477 1.221,478 10.944,479 0.185,480 17.277,481 0.293,482 0.187,483 0.091,484 0.315,487 0.81,488 1.398,489 0.839,490 1.213,491 0.697,492 1.056,493 0.88,494 0.985,495 0.812,496 0.853,497 0.585,498 0.812,499 0.859,500 1.22,501 0.935,502 1.12,503 0.843,504 1.052,505 0.974,506 1.002,507 0.944,508 0.972,509 0.973,510 0.95,511 1.023,512 1.227,513 1.016,514 1.199,515 1.001,516 1.121,517 1.284,518 0.975,519 1.065,520 0.962,521 1.233,522 0.972,523 1.093,524 1.032,525 1.068,526 1.051,527 1.065,528 1.057,529 0.939,530 1.05,531 1.053,532 1.062,533 0.991,534 1.077,535 17,536 1.053,537 10.444,538 9.521,539 8.033,540 5.964,541 3.901,542 2.955,543 1.969,544 1.514,545 55090,546 129318,547 2.085,548 49.6,549 10,550 33,553 3,554 3,555 9,558 1.901,559 1.888,560 3.534,561 0.583,567 173.457,568 1.483,569 3.783,570 5.573,571 6.19,572 6.347,573 6.398,574 2.936,575 5.781,576 5.859,577 3.72,578 6365.55,579 10.553,580 123031,585 803.833,586 1.819,587 5.771,588 0.254,589 0.008,590 0.097,591 0.068,592 0.047,593 0.032,594 0.022,595 0.018,596 0.013,597 0.011,598 0.57,599 0.33,600 0.63,601 1.121,602 351.801,603 -0.039,604 -0.132,605 0.067,606 -0.029,607 -0.056,608 0.027,609 0.035,610 0.189,611 0.145,612 0.223,613 0.071,614 0.212,615 0.044,616 -0.069,617 0.014,618 -0.025,619 0.039,620 -0.015,621 0.017,622 0.099,623 0.033,624 0.067,625 -0.029,626 0.056,627 -0.001,628 -0.155,629 -0.039,630 -0.149,631 0.009,632 -0.108,633 -0.087,634 0.033,635 -0.046,636 0.024,637 -0.049,639 -0.032,640 -0.025,641 -0.072,642 -0.048,643 -0.041,644 -0.065,645 -0.007,646 -0.057,647 -0.072,648 -0.063,649 -0.05,650 -0.077,651 3.551,652 8.322,653 0.644,654 58.325,655 1.002,656 1.129,657 2.695,658 7.262,659 0.638,660 4.22,661 4.691,662 5.142,663 5.595,664 5.984,665 6.304,666 6.621,667 6.909,668 7.162,669 7.405,670 7.602,671 0.605,672 811.08,673 4.22,674 5.861,675 6.81,676 7.801,677 8.782,678 9.786,679 10.78,680 11.79,681 12.791,682 13.805,683 3.4,686 2,689 1,691 1,698 2,699 6,701 1,704 6,706 16,719 1,722 1,724 117,726 20,727 2,728 67,730 125,731 46,733 14,734 6,735 6,739 9,740 28,745 3,746 3,747 3,748 7,749 3,751 9,753 19,754 27,755 3,756 4,761 3,763 2,765 3,772 58,773 12,774 3,775 13,779 4,784 0.222,785 9,788 2,797 1,798 1,801 3,802 5,805 6,806 1,807 2,808 2,819 3,822 2,828 2,830 2,832 2,836 7,840 59,845 2,846 11,848 4,850 4,851 3,852 5,862 7.7,863 2,865 3,867 4,869 31.25,870 22.917,871 12.764,872 7.4,874 3.7,875 1.319,876 0.921,877 9.933,878 15.282,879 4.382,880 4.989,881 5.6,882 6.219,883 6.796,884 7.263,885 7.768,886 8.231,887 8.612,888 9.039,889 1,890 140,891 22.563,893 10.743,894 7.736,895 42.887,897 38.78,899 2.236,900 131.917,904 647.411,905 215.672,906 26.158,908 204.801,911 215.672,912 852.212,913 26.158,914 67.521,915 25.736,916 161.177,917 97.009,918 90.288,919 4.901,920 647.411,922 647.411,923 241.83,924 204.801,927 541.471,928 225.374,929 85.367,931 75.245,932 147.632,933 18.952,935 647.411,936 230.959,937 215.672,940 647.411,941 72.34,942 152.704,943 16.786,944 204.801,945 647.411,946 230.959,947 215.672,949 0.603,950 0.391,951 0.236,952 0.144,953 60,954 28,955 0.08,956 10,957 9,958 1.421,959 5.174,960 887.696,961 0.474,962 36,963 347.076,968 40.938,969 14.315,970 5.433,971 1.938,972 214.174,973 12.183,975 3.752,978 4.464,980 102.152,981 1094.04,982 79,987 42.727,989 4.106,991 -1.919,994 117.21,995 132.088,996 0.216,997 0.551,998 0.811,999 0.901,1000 0.924,1001 0.931,1002 5.756,1003 2.424,1004 6.909,1005 9.552,1006 5.38,1007 5.678,1008 3.688,1009 7.984,1010 5.314,1011 7.011,1012 2.371,1013 8.642,1014 8.137,1015 5.434,1016 5.77,1017 3.378,1018 9.668,1019 5.351,1020 8.404,1021 2.221,1022 10.498,1023 7.354,1024 7.295,1025 7.877,1026 5.067,1027 12.898,1028 7.185,1029 9.835,1030 2.151,1031 12.431,1032 7.245,1033 8.164,1034 8.764,1035 5.505,1036 15.389,1037 8.042,1038 11.304,1039 2.144,1040 14.415,1041 6.733,1042 9.614,1043 10.449,1044 6.749,1045 18.307,1046 9.473,1047 12.8,1048 1.981,1049 16.436,1050 6.558,1051 10.788,1052 11.67,1053 7.46,1054 21.051,1055 10.634,1056 14.317,1057 1.884,1058 18.483,1059 5.976,1060 12.143,1061 13.224,1062 8.528,1063 23.916,1064 11.972,1065 4.102,1066 1.721,1067 20.549,1068 5.725,1069 13.429,1070 14.594,1071 9.355,1072 26.744,1073 13.243,1074 3.77,1075 18.549,1076 22.63,1077 5.116,1078 14.772,1079 16.106,1080 10.347,1081 29.61,1082 14.57,1083 3.421,1084 16.473,1085 24.721,1086 4.644,1087 16.104,1088 17.545,1089 11.225,1090 32.471,1091 15.885,1092 3.329,1093 14.765,1094 26.822,1095 4.381,1096 17.456,1097 19.046,1098 12.182,1099 35.348,1100 17.22,1101 3.317,1102 14.196,1103 28.93,1104 4.06,1105 18.81,1106 20.519,1107 13.086,1108 38.228,1109 18.557,1110 3.064,1111 11.976,1112 31.044,1113 3.742,1114 20.173,1115 22.02,1116 14.028,1117 41.115,1118 19.903,1119 2.705,1120 10.851,1121 33.163,1122 3.48,1123 21.541,1124 23.511,1125 14.944,1126 44.006,1127 21.252,1128 51221,1129 78613,1130 43.342,1131 74.671,1132 106.022,1133 108.286,1134 116.087,1135 104.473,1136 104.501,1137 121.163,1138 26.008,1139 356.146,1140 100.724,1141 6.142,1142 6.415,1143 8.408,1144 6.132,1145 6.102,1146 7.644,1147 4.341,1148 28.549,1149 6.015,1150 36.898,1151 1.582,1152 1.616,1153 1.733,1154 1.559,1155 1.56,1156 1.808,1157 0.388,1158 5.316,1159 1.503,1160 4.227,1161 4.256,1162 4.184,1163 4.142,1164 7.438,1165 4.148,1166 4.114,1167 4.146,1168 4.071,1169 4.028,1170 7.431,1171 4.035,1172 3.918,1173 3.962,1174 3.847,1175 3.819,1176 7.43,1177 3.821,1178 3.872,1179 3.902,1180 3.793,1181 3.758,1182 6.447,1183 3.76,1184 3.674,1185 3.702,1186 3.606,1187 3.532,1188 6.439,1189 3.538,1190 3.643,1191 3.67,1192 3.573,1193 3.444,1194 4.967,1195 3.471,1196 3.531,1197 3.589,1198 3.433,1199 3.396,1200 4.836,1201 3.388,1202 3.493,1203 3.54,1204 3.37,1205 3.324,1206 4.606,1207 3.321,1208 0.077,1209 0.066,1210 0.13,1211 0.076,1212 0.061,1213 5.142,1214 0.069,1215 4.415,1216 0.039,1217 8.727,1218 0.277,1219 5.08,1220 0.06,1221 4.102,1222 4.644,1223 2.58,1224 18.549,1225 4.015,1226 2,1227 1.984,1228 2.101,1229 2.098,1230 1.543,1231 2.099,1232 1.943,1233 1.92,1234 2.081,1235 2.076,1236 1.492,1237 2.078,1238 1.937,1239 1.909,1240 2.04,1241 2.019,1242 1.319,1243 2.025,1244 1.858,1245 1.816,1246 1.989,1247 2.003,1248 1.23,1249 2.001,1250 1.693,1251 1.657,1252 1.862,1253 1.859,1254 1.171,1255 1.857,1256 1.663,1257 1.618,1258 1.825,1259 1.837,1260 1.056,1261 1.837,1262 1.525,1263 1.463,1264 1.803,1265 1.725,1266 1.045,1267 1.753,1268 1.443,1269 1.403,1270 1.749,1271 1.701,1272 0.967,1273 1.698,1274 4.905,1276 6.34,1277 3.434,1278 7.995,1279 6.009,1280 9.761,1281 8.324,1282 11.595,1284 11.494,1289 25.305,1290 6.387,1292 23.937,1294 -2.593,1295 6.683,1296 -6.546,1300 70.742,1301 173.457,1302 442.628,1303 652.045,1304 724.284,1305 742.548,1306 748.548,1307 178.257,1308 11.582,1309 154.1,1310 154.1,1311 54,1312 14.258,1313 4.392,1314 3.7,1315 78.957,1316 271,1317 281,1318 0.144,1319 416.42,1320 754.49,1321 1007.82,1322 2235590,1324 41.863,1325 0.71,1326 0.598,1327 41.863,1328 35.3,1329 28.221,1330 0.421,1331 0.317,1332 20.876,1333 26.978,1334 20.196,1335 16.571,1336 28.221,1337 21.213,1338 27.036,1339 0.25,1340 0.169,1341 27.036,1342 18.204,1343 25.289,1344 0.149,1345 0.092,1346 25.289,1347 15.599,1348 23.309,1349 0.087,1350 0.05,1351 23.309,1352 13.506,1353 21.073,1354 0.053,1355 0.028,1356 21.073,1357 10.995,1358 0.215,1359 178.436,1360 0.152,1361 45.85,1362 0.438,1363 350,1364 919.716,1365 384.317,1366 862.003,1367 1185.32,1368 808,1369 453,1370 875.618,1371 491.513,1372 885.239,1373 1343.36,1374 829,1375 5.728} {0 CHEMBL159196,1 1.433,2 11.9,3 3.659,4 13.385,5 113.627,6 6.975,7 0.375,8 4.152,9 4.256,10 3.65,11 3.656,12 5.23,13 3.632,14 4.713,15 4.866,16 4.001,17 4.022,18 5.814,19 3.98,20 5.014,21 5.199,22 4.061,23 4.169,24 6.009,25 4.099,26 5.126,27 5.357,28 4.008,29 4.191,30 6.033,31 4.104,32 5.033,33 5.228,34 4.055,35 4.268,36 5.966,37 4.168,38 5.23,39 5.487,40 4.046,41 4.315,42 6.071,43 4.186,44 5.139,45 5.375,46 3.946,47 4.247,48 6.036,49 4.116,50 5.087,51 5.36,52 3.83,53 4.159,54 5.93,55 4.016,56 0.028,57 0.765,58 13.081,59 6.026,60 13.602,61 7.617,62 0.378,63 1.22,64 24.846,65 9.678,66 56.603,67 12.58,68 0.622,69 1.528,70 35.154,71 12.471,72 68.21,73 16.339,74 0.769,75 1.628,76 40.963,77 13.406,78 80.435,79 17.927,80 0.271,81 1.659,82 34.539,83 13.617,84 51.813,85 18.308,86 0.551,87 1.9,88 44.372,89 15.605,90 72.271,91 22.03,92 0.545,93 1.74,94 40.24,95 14.391,96 72.476,97 19.866,98 0.488,99 1.648,100 38.736,101 13.368,102 64.57,103 19.192,104 23,105 43,106 0.235,107 0.575,108 0.776,109 0.857,110 0.87,111 0.87,112 3.44,113 0.959,114 -3.79,115 -3.75,116 -3.57,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 7,141 1,142 1,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 10,175 1,177 1,180 11,181 1,185 2,186 11,191 1,194 7,195 1,197 1,198 7,203 1,206 9,207 1,210 11,215 1,218 12,219 1,221 1,222 11,227 1,229 9,230 1,233 1,234 10,239 1,242 11,247 2,248 2,255 12,256 1,258 2,259 5,262 2,264 1,267 13,268 1,270 1756,271 20.059,272 20.059,273 20.059,274 20.059,275 20.059,276 18.115,277 20.747,278 12.319,279 20.34,280 15.854,281 15.854,282 15.854,283 15.854,284 15.854,285 13.145,286 25.607,287 5.927,288 16.344,289 4.45,290 2.372,291 1.143,292 0.649,293 0.568,294 0.568,295 4.122,299 1,300 1,301 744,302 4.183,306 324.928,313 2.04,314 31.682,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 65.5,326 357,327 4.426,328 3.802,329 7.315,330 4.36,331 3.407,332 3.603,333 2.341,334 12.546,335 3.242,336 4.139,337 3.597,338 6.5,339 3.953,340 2.984,341 3.535,342 1.465,343 10.191,344 2.889,345 3.821,346 3.333,347 5.391,348 3.4,349 2.435,350 3.23,351 0.86,352 6.95,353 2.342,354 3.566,355 2.737,356 5.243,357 3.255,358 2.262,359 2.731,360 0.811,361 6.396,362 2.237,363 3.509,364 2.432,365 4.751,366 3.215,367 2.221,368 2.672,370 5.184,371 2.191,372 3.118,373 2.229,374 4.659,375 2.718,376 1.744,377 2.204,379 4.939,380 1.689,381 2.906,382 1.944,383 4.129,384 2.548,385 1.584,386 2.058,388 3.658,389 1.524,390 2.84,391 1.861,392 3.644,393 2.444,394 1.472,395 1.92,397 3.141,398 1.422,399 2.586,400 1.529,401 3.604,402 2.369,403 1.388,404 1.581,406 3.022,407 1.356,408 2.5,409 1.399,410 3.48,411 2,412 1,413 1.5,415 2.476,416 1,417 2.5,418 1.216,419 3.247,420 1.958,421 1,422 1.5,424 2.136,425 0.955,426 2.169,427 1,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.918,436 1,437 3.188,438 1.772,439 0.778,440 0.832,442 1.67,443 0.768,444 1.291,445 0.74,446 2.987,447 1.039,448 0.075,449 0.085,451 0.177,452 0.071,453 1.088,454 0.359,455 2.664,456 0.783,457 -0.131,458 -0.151,460 -0.346,461 -0.119,462 14.067,463 0.469,464 0.718,465 0.024,466 33.5,467 1.117,468 15,469 0.5,470 18.5,471 0.617,472 30.04,473 1.001,474 33.933,475 0.575,476 25.927,477 0.864,478 6.648,479 0.222,480 7.807,481 0.26,482 0.118,483 0.036,484 0.213,487 0.83,488 1.291,489 0.85,490 1.218,491 0.786,492 1.066,493 0.96,494 1.165,495 0.95,496 1.141,497 0.58,498 1.056,499 1.273,500 1.129,501 1.131,502 1.129,503 0.98,504 1.11,505 1.477,506 0.751,507 1.055,508 0.761,509 0.901,510 0.822,511 0.904,512 1.271,513 1.089,514 1.265,515 0.615,516 1.222,517 0.849,518 0.931,519 0.916,520 0.939,521 0.568,522 0.938,523 1.009,524 1.056,525 1.086,526 1.057,527 0.788,528 1.085,529 0.823,530 0.841,531 0.901,532 0.845,533 0.734,534 0.874,535 6,536 0.148,537 3.111,538 1.813,539 1.476,540 1.16,541 0.587,542 0.467,543 0.34,544 0.18,545 11414,546 31582,547 2.024,548 49.2,549 4,550 12,551 1,552 2,553 1,554 2,555 6,556 1,558 1.732,559 1.905,560 3.517,561 -0.382,563 1,567 84.546,568 1.433,569 3.511,570 4.74,571 5.234,572 5.315,573 5.315,574 3.111,575 4.282,576 4.868,577 3.726,578 1620.76,579 8.522,580 22948.7,582 1,584 1,585 347.076,586 1.433,587 4.835,588 0.188,589 0.005,590 0.072,591 0.042,592 0.035,593 0.026,594 0.014,595 0.012,596 0.01,597 0.006,598 0.41,599 0.33,600 1,601 1.533,602 154.899,603 -0.032,604 -0.101,605 0.045,606 -0.059,607 -0.081,608 -0.003,609 0.108,610 -0.077,611 0.014,612 -0.081,613 0.162,614 -0.053,615 -0.025,616 -0.124,617 -0.124,618 -0.125,619 -0.085,620 -0.141,621 -0.184,622 0.193,623 -0.019,624 0.188,625 -0.083,626 0.125,627 -0.069,628 -0.228,629 -0.151,630 -0.22,631 -0.017,632 -0.205,633 -0.013,634 0.037,635 0.054,636 0.029,637 0.016,638 0.051,639 -0.079,640 -0.08,641 -0.112,642 -0.072,643 -0.079,644 -0.097,645 -0.047,646 0.123,647 0.067,648 0.109,649 -0.038,650 0.113,651 2.458,652 3.67,653 0.6,654 35.538,655 1.002,656 1.125,657 2.561,658 6.558,659 0.643,660 3.497,661 3.784,662 3.97,663 4.19,664 4.419,665 4.466,666 4.585,667 4.663,668 4.7,669 4.718,670 7.124,671 0.61,672 411.54,673 3.497,674 5.017,675 5.832,676 6.693,677 7.535,678 8.408,679 9.265,680 10.146,681 11.012,682 11.899,683 1.7,693 1,699 9,700 1,704 2,706 12,722 1,724 59,726 14,727 1,728 32,730 61,731 24,733 11,734 1,735 5,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,772 29,773 6,774 1,775 6,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 30,845 1,846 4,848 3,850 3,852 1,862 8.5,864 1,865 1,866 2,867 1,869 15.75,870 10.733,871 6.681,872 3.489,874 1.798,875 1.25,876 0.905,877 7.889,878 8.983,879 3.714,880 4.174,881 4.538,882 4.968,883 5.414,884 5.319,885 5.581,886 5.844,887 5.979,888 6.183,889 1,890 43,891 11.137,893 4.655,894 7.792,895 21.242,897 17.162,899 2.292,900 68.75,902 1,903 1,904 329.591,905 142.926,906 16.786,908 100.828,911 142.926,912 430.419,913 16.786,914 17.65,915 12.196,916 85.646,917 131.066,918 37.524,919 11.771,920 294.278,922 329.591,923 159.711,924 100.828,927 247.193,928 161.226,929 22,930 0.36,931 47.941,932 75.673,933 35.738,935 329.591,936 117.613,937 142.926,940 329.95,941 21.535,942 121.031,944 117.613,945 329.591,946 117.613,947 142.926,949 0.57,950 0.308,951 0.161,952 0.091,953 18,954 8,955 0.148,956 9,958 1,959 4.134,960 254.022,962 18,963 141.207,968 22.324,969 10.601,970 6.572,972 117.613,973 17.087,974 4.243,978 1.751,980 42.683,981 590.13,982 40,987 10.67,989 3.915,991 -0.791,994 59.109,995 66.358,996 0.244,997 0.597,998 0.806,999 0.89,1000 0.903,1001 0.903,1002 4.942,1003 1.472,1004 5.82,1005 3.658,1006 4.466,1007 4.86,1008 2.812,1009 6.624,1010 4.4,1011 6.104,1012 1.388,1013 7.377,1014 3.141,1015 4.111,1016 4.407,1017 2.243,1018 7.796,1019 4.003,1020 7.379,1021 1,1022 9.06,1023 3.022,1024 6.084,1025 6.811,1026 3.888,1027 10.835,1028 5.94,1029 8.685,1030 1,1031 10.827,1032 2.476,1033 6.594,1034 7.088,1035 4.112,1036 12.893,1037 6.394,1038 10.025,1039 1,1040 12.651,1041 2.136,1042 8.067,1043 9.027,1044 5.312,1045 15.541,1046 7.831,1047 11.388,1048 0.778,1049 14.515,1050 2.136,1051 8.971,1052 9.658,1053 5.889,1054 17.897,1055 8.672,1056 12.771,1057 0.075,1058 16.408,1059 1.67,1060 10.26,1061 11.374,1062 6.893,1063 20.444,1064 9.921,1065 3.407,1066 -0.131,1067 18.321,1068 0.177,1069 11.338,1070 12.208,1071 7.625,1072 22.902,1073 10.939,1074 2.984,1075 12.546,1076 20.25,1077 -0.346,1078 12.566,1079 13.788,1080 8.544,1081 25.423,1082 12.121,1083 2.435,1084 10.191,1085 22.191,1086 3.603,1087 13.719,1088 14.752,1089 9.342,1090 27.918,1091 13.217,1092 2.262,1093 6.95,1094 24.14,1095 3.535,1096 14.929,1097 16.243,1098 10.223,1099 30.436,1100 14.379,1101 2.221,1102 6.396,1103 26.096,1104 3.23,1105 16.115,1106 17.296,1107 11.051,1108 32.946,1109 15.51,1110 1.744,1111 5.184,1112 28.057,1113 2.731,1114 17.323,1115 18.724,1116 11.915,1117 35.466,1118 16.668,1119 1.584,1120 4.939,1121 30.022,1122 2.672,1123 18.524,1124 19.839,1125 12.755,1126 37.984,1127 17.816,1128 11278,1129 18848,1130 21.148,1131 37.938,1132 47.579,1133 47.91,1134 47.518,1135 46.765,1136 46.702,1137 57.174,1138 10.954,1139 129.242,1140 45.18,1141 5.426,1142 5.802,1143 7.117,1144 5.433,1145 5.407,1146 6.603,1147 3.925,1148 19.976,1149 5.242,1150 14.59,1151 1.487,1152 1.497,1153 1.485,1154 1.461,1155 1.459,1156 1.787,1157 0.342,1158 4.039,1159 1.412,1160 3.985,1161 4.011,1162 3.913,1163 3.865,1164 7.474,1165 3.871,1166 3.882,1167 3.91,1168 3.815,1169 3.802,1170 6.351,1171 3.8,1172 3.759,1173 3.803,1174 3.661,1175 3.645,1176 4.953,1177 3.64,1178 3.694,1179 3.729,1180 3.592,1181 3.534,1182 4.866,1183 3.541,1184 3.553,1185 3.6,1186 3.431,1187 3.399,1188 4.72,1189 3.396,1190 3.324,1191 3.353,1192 3.213,1193 3.111,1194 4.391,1195 3.129,1196 2.967,1197 3.016,1198 2.827,1199 2.795,1200 4.319,1201 2.791,1202 2.954,1203 3.009,1204 2.79,1205 2.735,1206 4.066,1207 2.715,1208 0.138,1209 0.119,1210 0.229,1211 0.136,1212 0.106,1213 4.426,1214 0.113,1215 3.802,1216 0.073,1217 7.315,1218 0.392,1219 4.36,1220 0.101,1221 3.407,1222 3.603,1223 2.341,1224 12.546,1225 3.242,1226 1.91,1227 1.883,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.874,1233 1.847,1234 2.003,1235 1.979,1236 1.148,1237 1.986,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.11,1243 1.906,1244 1.659,1245 1.62,1246 1.873,1247 1.843,1248 1.018,1249 1.851,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.505,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.821,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.174,1276 5.468,1278 6.956,1280 8.534,1282 10.165,1284 3.911,1289 8.771,1290 1.885,1292 18.642,1294 -0.644,1296 -0.69,1300 35.971,1301 84.546,1302 207.129,1303 279.65,1304 308.811,1305 313.566,1306 313.566,1307 68.605,1308 7.185,1309 77.88,1310 77.88,1311 18,1312 12.435,1313 3.907,1314 3.17,1315 55.077,1316 121,1317 150,1318 0.213,1319 222.163,1320 398.71,1321 533.837,1322 11807,1324 21.399,1325 0.713,1326 0.581,1327 21.399,1328 17.439,1329 14.454,1330 0.452,1331 0.32,1332 10.091,1333 13.878,1334 9.806,1335 8.145,1336 14.454,1337 10.233,1338 13.061,1339 0.304,1340 0.184,1341 13.061,1342 7.926,1343 9.805,1344 0.189,1345 0.096,1346 9.805,1347 4.995,1348 7.914,1349 0.122,1350 0.053,1351 7.914,1352 3.469,1353 6.388,1354 0.078,1355 0.029,1356 6.388,1357 2.368,1358 0.334,1359 90.867,1360 0.217,1361 28.538,1362 0.585,1363 150,1364 460.737,1365 168.659,1366 429.225,1367 571.18,1368 402,1369 170,1370 402.052,1371 188.331,1372 401.536,1373 583.92,1374 376,1375 7.284} {0 CHEMBL159243,1 1.667,2 12.882,3 3.758,4 14.126,5 121.168,6 7.779,7 0.333,8 4.21,9 4.305,10 3.787,11 3.676,12 5.416,13 3.683,14 4.764,15 4.902,16 4.163,17 4.048,18 6.074,19 4.047,20 5.067,21 5.235,22 4.253,23 4.205,24 6.221,25 4.183,26 5.205,27 5.413,28 4.246,29 4.237,30 6.339,31 4.203,32 5.115,33 5.292,34 4.288,35 4.313,36 6.375,37 4.258,38 5.297,39 5.533,40 4.254,41 4.365,42 6.295,43 4.282,44 5.284,45 5.495,46 4.205,47 4.296,48 6.473,49 4.221,50 5.153,51 5.402,52 4.073,53 4.195,54 6.247,55 4.11,56 0.253,57 0.881,58 11.795,59 6,60 21.942,61 7.046,62 0.733,63 1.368,64 23.749,65 9.726,66 98.064,67 11.845,68 1.116,69 1.708,70 35.061,71 12.498,72 104.161,73 15.402,74 1.601,75 1.777,76 44.619,77 13.505,78 149.773,79 17.439,80 1.103,81 1.818,82 35.84,83 13.767,84 152.037,85 17.841,86 1.204,87 1.984,88 47.376,89 15.507,90 122.06,91 21.686,92 1.729,93 1.932,94 47.823,95 15.028,96 202.294,97 19.768,98 1.376,99 1.871,100 42.986,101 13.326,102 160.211,103 18.16,104 59,105 50,106 0.269,107 0.629,108 0.813,109 0.88,110 0.885,111 0.885,112 3.56,113 0.903,114 -4.28,115 -4.22,116 -3.98,118 39.3,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 1,142 3,143 2,154 1,162 2,163 1,167 1,168 8,169 1,171 2,172 10,175 1,177 1,180 8,181 1,185 3,186 14,191 1,194 6,195 1,197 3,198 9,203 1,206 7,207 1,210 13,215 1,218 12,219 1,221 3,222 15,227 1,229 7,230 1,233 5,234 8,239 1,242 9,247 4,248 2,255 10,256 1,258 2,259 10,262 2,264 1,267 9,268 1,270 2252,271 22.214,272 22.214,273 22.214,274 22.214,275 22.214,276 19.94,277 25.559,278 13.281,279 22.603,280 17.782,281 17.782,282 17.782,283 17.782,284 17.782,285 14.521,286 30.858,287 6.338,288 18.458,289 4.263,290 2.039,291 0.896,292 0.484,293 0.451,294 0.451,295 4.238,299 1,300 1,301 904,302 4.637,306 370.526,313 2.176,314 58.993,317 1,318 0.5,319 0.83,320 1,321 1,322 1,323 1,324 0.9,325 77.5,326 438,327 4.498,328 3.856,329 7.319,330 4.369,331 3.417,332 4.149,333 2.612,334 12.574,335 3.247,336 4.319,337 3.756,338 6.505,339 3.975,340 3.011,341 3.591,342 2.341,343 10.209,344 2.901,345 4.124,346 3.597,347 6.41,348 3.89,349 2.921,350 3.368,351 1.465,352 9.761,353 2.822,354 3.671,355 3.33,356 5.253,357 3.257,358 2.267,359 3.136,360 0.86,361 6.417,362 2.238,363 3.567,364 2.94,365 5.057,366 3.218,367 2.223,368 2.734,369 0.811,370 5.857,371 2.193,372 3.516,373 2.658,374 4.961,375 3.116,376 2.181,377 2.689,379 5.521,380 2.025,381 3.326,382 2.419,383 4.662,384 2.865,385 1.919,386 2.571,388 5.183,389 1.799,390 3.114,391 2.221,392 4.655,393 2.676,394 1.702,395 2.201,397 4.678,398 1.65,399 2.85,400 1.942,401 4.128,402 2.506,403 1.55,404 1.93,406 3.65,407 1.48,408 2.624,409 1.861,410 3.638,411 2.437,412 1.456,413 1.609,415 3.137,416 1.419,417 2.59,418 1.414,419 3.613,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.364,428 3.48,429 1.958,430 1,431 1.5,433 2.423,434 0.955,435 2.17,436 1.216,437 3.287,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.919,445 1,446 3.247,447 1.773,448 0.78,449 0.833,451 1.673,452 0.769,453 1.47,454 1,455 3.022,456 1.123,457 0.229,458 0.269,460 0.574,461 0.2,462 15.419,463 0.454,464 1.002,465 0.029,466 39.5,467 1.162,468 18,469 0.529,470 21.5,471 0.632,472 34.25,473 1.007,474 39.181,475 0.642,476 35.051,477 1.031,478 7.893,479 0.232,480 8.277,481 0.243,482 0.17,483 0.032,484 0.285,486 1,487 0.642,488 1.159,489 0.725,490 1.202,491 0.608,492 1.039,493 0.77,494 1.114,495 0.815,496 1.154,497 0.469,498 1.031,499 1.048,500 1.108,501 1.043,502 1.164,503 0.775,504 1.119,505 1.129,506 0.709,507 0.986,508 0.776,509 0.746,510 0.83,511 0.682,512 1.094,513 0.968,514 1.255,515 0.5,516 1.22,517 0.701,518 0.808,519 0.893,520 0.993,521 0.512,522 0.998,523 0.996,524 0.913,525 1.092,526 0.977,527 0.972,528 1.06,529 0.884,530 0.926,531 0.98,532 0.879,533 0.871,534 0.928,535 8,536 0.293,537 4.222,538 2.438,539 2.178,540 1.632,541 0.83,542 0.576,543 0.5,544 0.352,545 15410,546 55248,547 1.97,548 44.3,549 4,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.764,559 1.813,560 3.603,561 -0.304,563 1,567 101.702,568 1.667,569 3.892,570 5.035,571 5.447,572 5.48,573 5.48,574 3.131,575 4.352,576 5.051,577 3.828,578 2147.59,579 8.888,580 33126.3,585 361.775,586 1.627,587 4.992,588 0.222,589 0.008,590 0.084,591 0.047,592 0.042,593 0.03,594 0.016,595 0.012,596 0.012,597 0.009,598 0.482,599 0.17,600 0.88,601 1.608,602 182.404,603 0.039,604 -0.033,605 0.042,606 -0.034,607 -0.038,608 -0.01,609 0.084,610 -0.1,611 0.056,612 -0.071,613 0.172,614 -0.026,615 -0.061,616 -0.12,617 -0.101,618 -0.14,619 -0.056,620 -0.135,621 -0.085,622 0.141,623 0.026,624 0.178,625 -0.015,626 0.143,627 0.095,628 -0.124,629 -0.076,630 -0.199,631 0.162,632 -0.196,633 0.01,634 0.011,635 0.056,636 -0.024,637 0.024,638 0.023,639 -0.023,640 -0.074,641 -0.097,642 -0.011,643 -0.068,644 -0.072,646 0.164,647 0.022,648 0.097,649 -0.045,650 0.084,651 2.706,652 5.517,653 0.529,654 41.896,655 1.024,656 1.134,657 3.053,658 9.319,659 0.64,660 3.611,661 3.932,662 4.127,663 4.357,664 4.605,665 4.663,666 4.762,667 4.787,668 4.875,669 4.977,670 7.646,671 0.628,672 474.53,673 3.611,674 5.153,675 5.979,676 6.855,677 7.71,678 8.594,679 9.463,680 10.352,681 11.229,682 12.121,683 3.3,693 1,694 1,699 7,700 1,704 4,706 12,718 1,722 1,723 1,724 61,726 16,727 1,728 36,730 63,731 24,733 11,734 3,735 3,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 4,759 1,761 3,763 2,765 1,769 1,770 1,772 27,773 9,774 1,775 10,779 2,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 34,845 1,846 4,848 3,850 3,852 1,861 1,862 11.5,864 1,865 1,866 2,867 1,868 2,869 18.75,870 11.243,871 7.486,872 3.537,874 2.117,875 1.282,876 0.897,877 8.727,878 9.612,879 3.85,880 4.369,881 4.754,882 5.22,883 5.698,884 5.73,885 5.964,886 6.024,887 6.195,888 6.503,889 0.889,890 52,891 12.7,893 5.526,894 8.208,895 23.193,897 18.714,899 2.708,900 92.083,904 306.049,905 135.851,906 22.456,908 151.575,909 14.96,911 135.851,912 457.623,913 37.416,914 23.32,915 12.196,916 66.693,917 131.066,918 49.401,919 26.731,920 270.735,921 50.747,922 306.049,923 158.307,924 166.535,927 238.611,928 161.226,929 72.747,930 0.36,931 47.941,932 68.598,933 41.408,935 321.009,936 174.03,937 135.851,940 306.408,941 33.413,942 107.749,944 183.32,945 306.049,946 188.991,947 135.851,949 0.581,950 0.317,951 0.165,952 0.096,953 21,954 11,955 0.159,956 10,958 1,959 4.322,960 307.14,962 18,963 168.974,968 25.76,969 11.519,970 7.07,972 183.32,973 10.147,974 4.172,978 -0.483,980 42.683,981 630.89,982 46,985 -0.706,987 33.39,989 3.731,991 -0.853,994 62.494,995 69.2,996 0.281,997 0.656,998 0.849,999 0.918,1000 0.924,1001 0.924,1002 5.1,1003 1.702,1004 5.994,1005 5.183,1006 4.615,1007 5.056,1008 3.327,1009 6.825,1010 4.537,1011 6.298,1012 1.55,1013 7.575,1014 4.678,1015 4.369,1016 4.89,1017 2.946,1018 7.999,1019 4.245,1020 7.604,1021 1.456,1022 9.274,1023 3.65,1024 6.263,1025 7.12,1026 4.714,1027 11.039,1028 6.104,1029 8.94,1030 1,1031 11.046,1032 3.137,1033 6.825,1034 7.711,1035 5.015,1036 13.058,1037 6.612,1038 10.307,1039 1,1040 12.868,1041 2.477,1042 8.256,1043 9.485,1044 6.371,1045 15.703,1046 8.007,1047 11.696,1048 1,1049 14.725,1050 2.423,1051 9.176,1052 10.438,1053 6.969,1054 18.027,1055 8.87,1056 13.101,1057 0.78,1058 16.608,1059 2.136,1060 10.443,1061 12.023,1062 8.135,1063 20.564,1064 10.096,1065 3.417,1066 0.229,1067 18.509,1068 1.673,1069 11.521,1070 13.17,1071 8.883,1072 23.001,1073 11.117,1074 3.011,1075 12.574,1076 20.425,1077 0.574,1078 12.734,1079 14.667,1080 9.951,1081 25.512,1082 12.284,1083 2.921,1084 10.209,1085 22.353,1086 4.149,1087 13.881,1088 15.925,1089 10.78,1090 27.994,1091 13.375,1092 2.267,1093 9.761,1094 24.29,1095 3.591,1096 15.08,1097 17.377,1098 11.796,1099 30.505,1100 14.526,1101 2.223,1102 6.417,1103 26.233,1104 3.368,1105 16.258,1106 18.701,1107 12.672,1108 33.008,1109 15.649,1110 2.181,1111 5.857,1112 28.183,1113 3.136,1114 17.458,1115 20.132,1116 13.659,1117 35.523,1118 16.797,1119 1.919,1120 5.521,1121 30.138,1122 2.734,1123 18.652,1124 21.494,1125 14.565,1126 38.038,1127 17.938,1128 15381,1129 29323,1130 23.057,1131 39.029,1132 54.183,1133 56.086,1134 55.139,1135 53.44,1136 53.419,1137 66.725,1138 16.179,1139 152.794,1140 51.308,1141 5.498,1142 5.856,1143 7.121,1144 5.448,1145 5.417,1146 7.149,1147 4.612,1148 20.08,1149 5.247,1150 20.993,1151 1.505,1152 1.558,1153 1.532,1154 1.484,1155 1.484,1156 1.853,1157 0.449,1158 4.244,1159 1.425,1160 4.021,1161 4.041,1162 3.986,1163 3.877,1164 8.202,1165 3.892,1166 3.94,1167 3.968,1168 3.88,1169 3.82,1170 7.815,1171 3.829,1172 3.761,1173 3.805,1174 3.668,1175 3.645,1176 7.474,1177 3.641,1178 3.704,1179 3.739,1180 3.604,1181 3.536,1182 6.999,1183 3.544,1184 3.559,1185 3.604,1186 3.472,1187 3.399,1188 6.351,1189 3.397,1190 3.482,1191 3.504,1192 3.43,1193 3.111,1194 4.942,1195 3.138,1196 3.325,1197 3.354,1198 3.216,1199 3.034,1200 4.821,1201 3.129,1202 2.967,1203 3.016,1204 2.847,1205 2.795,1206 4.658,1207 2.791,1208 0.125,1209 0.107,1210 0.203,1211 0.121,1212 0.095,1213 4.498,1214 0.115,1215 3.856,1216 0.073,1217 7.319,1218 0.349,1219 4.369,1220 0.09,1221 3.417,1222 4.149,1223 2.612,1224 12.574,1225 3.247,1226 1.914,1227 1.891,1228 2.048,1229 2.092,1230 1.362,1231 2.059,1232 1.889,1233 1.864,1234 1.975,1235 2.042,1236 1.149,1237 2.022,1238 1.749,1239 1.706,1240 1.926,1241 1.895,1242 1.112,1243 1.906,1244 1.66,1245 1.622,1246 1.867,1247 1.86,1248 1.019,1249 1.858,1250 1.534,1251 1.485,1252 1.772,1253 1.732,1254 0.935,1255 1.743,1256 1.252,1257 1.216,1258 1.494,1259 1.648,1260 0.647,1261 1.542,1262 1.189,1263 1.161,1264 1.417,1265 1.505,1266 0.469,1267 1.495,1268 0.94,1269 0.888,1270 1.274,1271 1.239,1272 0.397,1273 1.308,1274 4.29,1276 5.609,1278 7.116,1280 8.713,1282 10.363,1284 3.356,1286 13.517,1289 8.776,1290 1.396,1292 18.142,1294 -1.352,1296 -1.147,1300 38.278,1301 101.702,1302 237.394,1303 307.146,1304 332.265,1305 334.265,1306 334.265,1307 115.847,1308 7.496,1309 123.7,1310 123.7,1311 18,1312 12.652,1313 4.087,1314 3.459,1315 67.087,1316 153,1317 182,1318 0.212,1319 235.22,1320 430.72,1321 565.698,1322 17555,1323 1.6,1324 24.717,1325 0.727,1326 0.557,1327 23.847,1328 18.926,1329 16.17,1330 0.449,1331 0.301,1332 10.627,1333 15.232,1334 10.385,1335 8.58,1336 15.776,1337 10.839,1338 15.143,1339 0.303,1340 0.17,1341 14.509,1342 8.483,1343 11.22,1344 0.184,1345 0.088,1346 10.877,1347 5.362,1348 9.012,1349 0.117,1350 0.048,1351 8.822,1352 3.68,1353 7.522,1354 0.076,1355 0.026,1356 7.064,1357 2.542,1358 0.333,1359 103.923,1360 0.208,1361 31.488,1362 0.582,1363 172,1364 685.964,1365 200.666,1366 609.425,1367 785.74,1368 562,1369 197,1370 547.75,1371 224.614,1372 533.111,1373 773.27,1374 497,1375 7.699} {0 CHEMBL159268,1 1.447,2 12.125,3 4.277,4 18.289,5 122.595,6 7.009,7 0.353,8 4.19,9 4.299,10 3.69,11 3.733,12 5.298,13 3.699,14 4.75,15 4.912,16 4.031,17 4.128,18 5.819,19 4.066,20 5.064,21 5.255,22 4.131,23 4.321,24 6.029,25 4.226,26 5.28,27 5.529,28 4.105,29 4.347,30 6.197,31 4.24,32 5.121,33 5.328,34 4.143,35 4.388,36 6.082,37 4.277,38 5.305,39 5.562,40 4.145,41 4.426,42 6.199,43 4.293,44 5.229,45 5.472,46 4.038,47 4.359,48 6.205,49 4.22,50 5.172,51 5.451,52 3.919,53 4.274,54 6.016,55 4.123,56 0.026,57 0.815,58 13.338,59 6.246,60 16.869,61 8.007,62 0.373,63 1.32,64 25.313,65 10.415,66 55.959,67 13.706,68 0.218,69 1.74,70 35.24,71 14.158,72 56.656,73 18.907,74 0.815,75 1.956,76 47.841,77 15.968,78 101.478,79 21.642,80 0.226,81 1.889,82 37.273,83 14.94,84 64.165,85 20.471,86 0.473,87 2.134,88 47.259,89 17.241,90 86.116,91 24.359,92 0.562,93 1.991,94 43.695,95 15.691,96 105.713,97 21.985,98 0.448,99 1.864,100 41.888,101 14.922,102 74.171,103 21.504,104 35,105 46,106 0.233,107 0.576,108 0.78,109 0.872,110 0.887,111 0.887,112 3.502,113 0.964,114 -4.13,115 -4.07,116 -3.85,118 41.9,119 2,120 4,121 1,122 1,124 1,126 1,127 1,133 2,140 6,141 3,143 2,154 2,163 1,167 1,168 17,169 1,171 1,172 9,175 1,177 1,180 18,181 1,186 13,191 1,194 14,195 1,197 1,198 11,203 1,206 14,207 1,210 11,215 1,218 17,219 1,221 1,222 12,227 1,229 15,230 1,233 2,234 9,239 1,242 16,247 2,248 2,255 16,256 1,258 2,259 6,262 2,264 1,267 16,268 1,270 2004,271 21.43,272 21.43,273 21.43,274 21.43,275 21.43,276 19.393,277 19.973,278 12.984,279 21.597,280 16.752,281 16.752,282 16.752,283 16.752,284 16.752,285 13.778,286 19.55,287 6.11,288 17.035,289 4.507,290 2.378,291 1.113,292 0.54,293 0.444,294 0.444,295 4.183,299 1,300 1,301 804,302 4.359,306 346.212,313 2.148,314 34.269,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 69,326 388,327 4.456,328 4.072,329 7.318,330 4.408,331 3.414,332 3.887,333 2.341,334 12.567,335 3.396,336 4.21,337 3.674,338 6.501,339 3.966,340 2.991,341 3.589,342 2.035,343 10.197,344 2.912,345 4.101,346 3.597,347 6.118,348 3.764,349 2.766,350 3.326,351 1.465,352 8.902,353 2.759,354 3.566,355 3.267,356 5.25,357 3.257,358 2.265,359 2.732,360 0.811,361 6.411,362 2.238,363 3.513,364 2.85,365 4.892,366 3.218,367 2.222,368 2.674,370 5.195,371 2.194,372 3.364,373 2.445,374 4.659,375 2.753,376 1.769,377 2.253,379 5.16,380 1.736,381 3.118,382 2.221,383 4.304,384 2.588,385 1.61,386 2.203,388 3.989,389 1.576,390 2.906,391 1.941,392 4.121,393 2.5,394 1.517,395 2.053,397 3.636,398 1.492,399 2.84,400 1.861,401 3.64,402 2.445,403 1.469,404 1.917,406 3.138,407 1.423,408 2.66,409 1.632,410 3.621,411 2.383,412 1.386,413 1.58,415 3.016,416 1.38,417 2.583,418 1.47,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.5,427 1.395,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.169,436 1.213,437 3.235,438 1.773,439 0.779,440 0.974,442 1.671,443 0.769,444 1.918,445 1,446 3.01,447 1.494,448 0.532,449 0.831,451 0.903,452 0.51,453 1.325,454 0.738,455 2.737,456 1.042,457 0.074,458 0.085,460 0.171,461 0.07,462 15.133,463 0.473,464 0.769,465 0.024,466 36.75,467 1.148,468 17.5,469 0.547,470 19.25,471 0.602,472 33.418,473 1.044,474 35.267,475 0.569,476 28.758,477 0.899,478 7.017,479 0.219,480 8.386,481 0.262,482 0.137,483 0.033,484 0.231,487 0.793,488 1.213,489 0.851,490 1.152,491 0.666,492 1.035,493 0.85,494 1.044,495 0.943,496 1.05,497 0.491,498 1.018,499 0.992,500 1.257,501 1.075,502 1.278,503 0.762,504 1.208,505 1.524,506 0.719,507 1.028,508 0.718,509 0.817,510 0.791,511 0.807,512 1.226,513 1.071,514 1.24,515 0.699,516 1.203,517 0.834,518 0.985,519 0.931,520 0.993,521 0.567,522 0.979,523 0.984,524 1.018,525 1.105,526 1.049,527 0.915,528 1.088,529 0.795,530 0.835,531 0.898,532 0.844,533 0.661,534 0.875,535 6.5,536 0.182,537 3.778,538 2,539 1.787,540 1.444,541 0.628,542 0.483,543 0.447,544 0.256,545 13284,546 37616,547 2.004,548 48.4,549 12,550 11,551 1,552 2,553 1,554 2,556 1,558 1.749,559 1.873,560 3.539,561 -0.403,563 1,567 89.742,568 1.447,569 3.576,570 4.841,571 5.414,572 5.51,573 5.51,574 3.114,575 4.476,576 4.962,577 3.77,578 1869.84,579 8.712,580 27686.6,582 1,585 369.16,586 1.501,587 4.922,588 0.191,589 0.006,590 0.082,591 0.042,592 0.038,593 0.029,594 0.013,595 0.011,596 0.011,597 0.007,598 0.431,599 0.33,600 1,601 1.606,602 168.492,603 -0.028,604 -0.055,605 0.034,606 -0.021,607 -0.02,608 0.011,609 0.133,610 0.023,611 0.001,612 0.013,613 0.129,614 -0.008,615 -0.053,616 -0.243,617 -0.124,618 -0.24,619 -0.049,620 -0.201,621 -0.18,622 0.201,623 0.015,624 0.233,625 -0.056,626 0.163,627 -0.044,628 -0.191,629 -0.138,630 -0.208,631 -0.027,632 -0.19,633 0.006,634 -0.023,635 0.043,636 -0.014,637 0.024,638 0.015,639 -0.048,640 -0.033,641 -0.125,642 -0.074,643 -0.07,644 -0.107,645 -0.038,646 0.12,647 0.076,648 0.12,649 -0.036,650 0.119,651 2.463,652 3.704,653 0.563,654 38.375,655 0.998,656 1.123,657 2.897,658 8.394,659 0.653,660 3.555,661 3.85,662 4.06,663 4.277,664 4.511,665 4.564,666 4.654,667 4.727,668 4.812,669 4.868,670 7.369,671 0.617,672 434.58,673 3.555,674 5.081,675 5.905,676 6.772,677 7.623,678 8.5,679 9.365,680 10.248,681 11.121,682 12.009,683 3.2,692 1,693 1,699 8,700 1,704 3,706 12,707 1,724 62,726 15,727 1,728 34,730 64,731 26,733 11,734 2,735 4,739 3,740 3,745 2,746 1,748 1,749 1,751 5,752 1,753 14,754 11,755 1,756 2,761 1,763 2,765 1,769 1,772 30,773 6,774 1,775 6,779 2,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 32,845 1,846 5,848 2,850 3,852 1,853 1,858 1,860 1,862 6.5,864 1,865 1,866 2,869 17.083,870 11.433,871 7.208,872 3.719,874 2.107,875 1.287,876 0.906,877 8.307,878 9.457,879 3.807,880 4.263,881 4.687,882 5.136,883 5.576,884 5.585,885 5.801,886 5.964,887 6.141,888 6.42,889 1,890 48,891 11.864,893 4.971,894 7.841,895 22.632,897 18.481,899 2.341,900 74.917,903 1,904 341.362,905 153.714,906 47.845,908 89.828,911 153.714,912 431.19,913 47.845,914 17.65,915 14.731,916 76.17,917 147.667,918 58.711,919 11.771,920 306.049,922 341.362,923 201.559,924 89.828,927 329.591,928 79.599,929 22,930 0.36,931 81.535,932 83.926,933 35.738,935 341.362,936 137.673,937 153.714,940 341.722,941 25.197,942 111.555,943 16.602,944 137.673,945 341.362,946 137.673,947 153.714,949 0.57,950 0.319,951 0.167,952 0.094,953 19,954 9,955 0.141,956 9,958 1,959 4.232,960 280.069,962 18,963 158,968 23.824,969 11.158,970 6.583,972 137.673,973 15.105,974 4.261,978 2.649,980 42.683,981 632.749,982 44,987 10.704,989 3.918,991 -0.796,994 61.883,995 69.647,996 0.243,997 0.601,998 0.813,999 0.909,1000 0.925,1001 0.925,1002 5.05,1003 1.517,1004 5.9,1005 3.989,1006 4.533,1007 4.949,1008 3.155,1009 6.72,1010 4.499,1011 6.231,1012 1.469,1013 7.47,1014 3.636,1015 4.205,1016 4.559,1017 2.243,1018 7.901,1019 4.183,1020 7.52,1021 1.386,1022 9.163,1023 3.138,1024 6.168,1025 6.949,1026 4.407,1027 10.94,1028 6.113,1029 8.838,1030 1,1031 10.936,1032 3.016,1033 6.698,1034 7.347,1035 4.112,1036 12.982,1037 6.654,1038 10.19,1039 1,1040 12.762,1041 2.476,1042 8.159,1043 9.239,1044 5.84,1045 15.624,1046 8.09,1047 11.565,1048 0.779,1049 14.624,1050 2.136,1051 9.071,1052 10.026,1053 5.889,1054 17.963,1055 9.007,1056 12.959,1057 0.532,1058 16.512,1059 1.671,1060 10.351,1061 11.684,1062 7.361,1063 20.502,1064 10.271,1065 3.414,1066 0.074,1067 18.42,1068 0.903,1069 11.428,1070 12.686,1071 7.625,1072 22.948,1073 11.349,1074 2.991,1075 12.567,1076 20.341,1077 0.171,1078 12.648,1079 14.216,1080 8.931,1081 25.464,1082 12.559,1083 2.766,1084 10.197,1085 22.274,1086 3.887,1087 13.797,1088 15.346,1089 9.342,1090 27.954,1091 13.706,1092 2.265,1093 8.902,1094 24.216,1095 3.589,1096 15.001,1097 16.8,1098 10.535,1099 30.469,1100 14.904,1101 2.222,1102 6.411,1103 26.164,1104 3.326,1105 16.183,1106 18.008,1107 11.051,1108 32.977,1109 16.083,1110 1.769,1111 5.195,1112 28.118,1113 2.732,1114 17.386,1115 19.418,1116 12.161,1117 35.496,1118 17.282,1119 1.61,1120 5.16,1121 30.078,1122 2.674,1123 18.584,1124 20.675,1125 12.755,1126 38.013,1127 18.477,1128 13201,1129 22291,1130 22.246,1131 40.489,1132 51.639,1133 53.653,1134 51.09,1135 49.545,1136 49.587,1137 61.478,1138 13.303,1139 139.138,1140 48.633,1141 5.456,1142 6.072,1143 7.12,1144 5.48,1145 5.414,1146 6.887,1147 4.376,1148 20.047,1149 5.396,1150 17.066,1151 1.519,1152 1.578,1153 1.503,1154 1.457,1155 1.458,1156 1.808,1157 0.391,1158 4.092,1159 1.43,1160 4.01,1161 4.038,1162 3.941,1163 3.926,1164 7.474,1165 3.924,1166 3.914,1167 3.945,1168 3.853,1169 3.829,1170 6.82,1171 3.831,1172 3.76,1173 3.804,1174 3.665,1175 3.646,1176 6.351,1177 3.642,1178 3.708,1179 3.747,1180 3.602,1181 3.58,1182 4.931,1183 3.576,1184 3.567,1185 3.614,1186 3.445,1187 3.415,1188 4.759,1189 3.413,1190 3.33,1191 3.358,1192 3.221,1193 3.117,1194 4.678,1195 3.135,1196 3.183,1197 3.237,1198 3.143,1199 3.033,1200 4.373,1201 3.052,1202 2.981,1203 3.054,1204 2.828,1205 2.84,1206 4.131,1207 2.822,1208 0.131,1209 0.12,1210 0.215,1211 0.13,1212 0.1,1213 4.456,1214 0.114,1215 4.072,1216 0.069,1217 7.318,1218 0.37,1219 4.408,1220 0.1,1221 3.414,1222 3.887,1223 2.341,1224 12.567,1225 3.396,1226 1.959,1227 1.934,1228 2.085,1229 2.072,1230 1.384,1231 2.074,1232 1.898,1233 1.868,1234 2.031,1235 2.006,1236 1.311,1237 2.016,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.134,1243 1.906,1244 1.695,1245 1.652,1246 1.892,1247 1.85,1248 1.025,1249 1.863,1250 1.548,1251 1.499,1252 1.776,1253 1.735,1254 0.935,1255 1.75,1256 1.256,1257 1.221,1258 1.495,1259 1.508,1260 0.649,1261 1.497,1262 1.124,1263 1.078,1264 1.417,1265 1.299,1266 0.513,1267 1.308,1268 1.003,1269 0.931,1270 1.352,1271 1.239,1272 0.469,1273 1.291,1274 4.234,1276 5.533,1278 7.031,1280 8.621,1282 10.264,1284 4.191,1289 8.798,1290 2.539,1292 12.712,1294 -0.525,1296 -0.351,1298 9.444,1299 2.269,1300 38.277,1301 89.742,1302 221.72,1303 300.141,1304 335.65,1305 341.65,1306 341.65,1307 83.079,1308 7.35,1309 92.44,1310 92.44,1311 18,1312 12.543,1313 4,1314 3.459,1315 60.935,1316 136,1317 166,1318 0.213,1319 238.291,1320 430.24,1321 573.189,1322 14663,1324 22.976,1325 0.718,1326 0.581,1327 22.976,1328 18.607,1329 15.403,1330 0.453,1331 0.321,1332 10.801,1333 14.908,1334 10.462,1335 8.719,1336 15.403,1337 10.923,1338 13.769,1339 0.299,1340 0.192,1341 13.769,1342 8.842,1343 10.644,1344 0.187,1345 0.1,1346 10.644,1347 5.725,1348 8.545,1349 0.12,1350 0.057,1351 8.545,1352 4.032,1353 6.919,1354 0.077,1355 0.031,1356 6.919,1357 2.821,1358 0.334,1359 96.151,1360 0.212,1361 30.011,1362 0.585,1363 160,1364 468.647,1365 174.481,1366 449.331,1367 592.05,1368 418,1369 183,1370 407.188,1371 197.457,1372 415.548,1373 599.8,1374 387,1375 7.432} {0 CHEMBL159344,1 1.477,2 12.882,3 3.514,4 12.347,5 125.155,6 7.224,7 0.333,8 4.255,9 4.351,10 3.776,11 3.734,12 5.38,13 3.725,14 4.814,15 4.963,16 4.132,17 4.096,18 5.975,19 4.073,20 5.083,21 5.251,22 4.235,23 4.261,24 6.157,25 4.217,26 5.239,27 5.446,28 4.23,29 4.305,30 6.294,31 4.25,32 5.158,33 5.337,34 4.252,35 4.396,36 6.158,37 4.32,38 5.364,39 5.598,40 4.268,41 4.455,42 6.299,43 4.353,44 5.348,45 5.568,46 4.187,47 4.393,48 6.386,49 4.287,50 5.236,51 5.491,52 4.052,53 4.32,54 6.12,55 4.193,56 0.082,57 0.838,58 13.869,59 6.573,60 16.757,61 8.055,62 0.637,63 1.316,64 27.259,65 10.404,66 74.414,67 13.222,68 0.739,69 1.641,70 36.651,71 13.302,72 76.397,73 17.059,74 1.244,75 1.789,76 45.962,77 14.583,78 122.067,79 19.02,80 0.497,81 1.861,82 38.502,83 15.176,84 70.168,85 19.868,86 0.793,87 2.151,88 50.442,89 17.599,90 95.825,91 24.322,92 1.426,93 2.025,94 51.101,95 16.664,96 145.876,97 22.557,98 0.66,99 1.906,100 44.733,101 15.543,102 84.095,103 22.075,104 49,105 49,106 0.236,107 0.59,108 0.808,109 0.88,110 0.889,111 0.889,112 3.56,113 0.935,114 -3.7,115 -3.67,116 -3.49,118 40,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 2,142 1,143 2,154 2,163 1,167 1,168 11,169 1,171 2,172 12,175 1,177 1,180 11,181 1,185 2,186 13,191 1,194 7,195 1,197 3,198 11,203 1,206 9,207 1,210 13,215 1,218 12,219 1,221 1,222 15,227 1,229 9,230 1,233 5,234 10,239 1,242 11,247 2,248 2,255 12,256 1,258 2,259 9,262 2,264 1,267 13,268 1,270 2260,271 22.637,272 22.637,273 22.637,274 22.637,275 22.637,276 20.6,277 24.011,278 13.646,279 23.066,280 17.719,281 17.719,282 17.719,283 17.719,284 17.719,285 14.716,286 28.302,287 6.413,288 18.307,289 4.545,290 2.337,291 0.974,292 0.527,293 0.466,294 0.466,295 4.24,299 1,300 1,301 904,302 4.69,306 368.731,313 2.176,314 44.982,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 75.5,326 438,327 4.47,328 3.818,329 7.319,330 4.369,331 3.416,332 3.953,333 2.341,334 12.574,335 3.248,336 4.261,337 3.662,338 6.505,339 3.977,340 3.006,341 3.59,342 1.674,343 10.212,344 2.914,345 4.116,346 3.597,347 6.427,348 3.893,349 2.908,350 3.339,351 1.465,352 9.82,353 2.855,354 3.567,355 3.328,356 5.255,357 3.257,358 2.267,359 2.733,360 0.86,361 6.418,362 2.238,363 3.516,364 2.77,365 5.131,366 3.218,367 2.223,368 2.686,369 0.811,370 5.811,371 2.193,372 3.406,373 2.452,374 4.737,375 3.001,376 2.039,377 2.631,379 5.183,380 1.94,381 3.118,382 2.25,383 4.659,384 2.713,385 1.738,386 2.203,388 4.845,389 1.685,390 2.905,391 1.949,392 4.131,393 2.546,394 1.583,395 2.057,397 3.659,398 1.523,399 2.84,400 1.862,401 3.881,402 2.444,403 1.472,404 1.919,406 3.19,407 1.422,408 2.594,409 1.551,410 3.636,411 2.369,412 1.388,413 1.585,415 3.129,416 1.356,417 2.571,418 1.461,419 3.575,420 2.097,421 1.127,422 1.567,424 2.6,425 1.082,426 2.5,427 1.399,428 3.48,429 1.958,430 1,431 1.5,433 2.476,434 0.955,435 2.169,436 1.311,437 3.247,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.918,445 1.216,446 3.235,447 1.772,448 0.779,449 0.832,451 1.67,452 0.768,453 1.484,454 1,455 3.007,456 1.169,457 0.266,458 0.303,460 0.416,461 0.236,462 15.733,463 0.463,464 0.858,465 0.025,466 37.75,467 1.11,468 16.5,469 0.485,470 21.25,471 0.625,472 35.593,473 1.047,474 38.867,475 0.598,476 32.937,477 0.969,478 7.679,479 0.226,480 8.635,481 0.254,482 0.159,483 0.032,484 0.254,487 0.809,488 1.336,489 0.811,490 1.264,491 0.712,492 1.074,493 0.935,494 1.077,495 0.899,496 1.05,497 0.568,498 0.977,499 1.117,500 1.178,501 1.046,502 1.17,503 0.865,504 1.106,505 1.36,506 0.768,507 1.052,508 0.776,509 0.996,510 0.835,511 0.919,512 1.265,513 1.073,514 1.26,515 0.696,516 1.213,517 0.861,518 1.05,519 0.957,520 1.06,521 0.611,522 1.033,523 1.076,524 0.937,525 1.128,526 0.948,527 0.98,528 1.037,529 0.73,530 0.979,531 0.914,532 0.99,533 0.632,534 0.988,535 7,536 0.243,537 4.222,538 2.375,539 1.827,540 1.646,541 0.831,542 0.514,543 0.46,544 0.341,545 15434,546 47275,547 1.987,548 47.7,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.765,559 1.846,560 3.606,561 -0.363,563 1,567 96.011,568 1.477,569 3.685,570 5.049,571 5.495,572 5.557,573 5.557,574 3.131,575 4.352,576 5.05,577 3.828,578 2147.5,579 8.889,580 33166,585 391.454,586 1.552,587 5.003,588 0.194,589 0.006,590 0.086,591 0.046,592 0.035,593 0.03,594 0.016,595 0.011,596 0.011,597 0.008,598 0.444,599 0.33,600 0.75,601 1.671,602 182.436,603 -0.041,604 -0.13,605 0.044,606 -0.089,607 -0.069,608 -0.017,609 0.099,610 0.011,611 0.05,612 0.011,613 0.144,614 0.02,615 -0.03,616 -0.146,617 -0.074,618 -0.141,619 -0.045,620 -0.121,621 -0.115,622 0.188,623 -0.019,624 0.181,625 -0.057,626 0.115,627 -0.091,628 -0.203,629 -0.152,630 -0.198,631 -0.045,632 -0.191,633 -0.032,634 -0.062,635 0.006,636 -0.072,637 0.002,638 -0.031,640 0.021,641 -0.122,642 0.017,643 -0.064,644 -0.068,645 -0.021,646 0.004,647 0.038,648 -0.01,649 -0.026,650 0.025,651 2.485,652 5.15,653 0.529,654 42.028,655 1.01,656 1.126,657 2.47,658 6.1,659 0.64,660 3.611,661 3.912,662 4.127,663 4.344,664 4.575,665 4.644,666 4.736,667 4.787,668 4.868,669 4.963,670 7.65,671 0.614,672 469.58,673 3.611,674 5.142,675 5.969,676 6.838,677 7.693,678 8.573,679 9.441,680 10.328,681 11.202,682 12.094,683 1.5,693 1,699 8,700 1,704 3,706 12,715 1,722 1,724 65,726 15,727 1,728 36,730 67,731 26,733 11,734 2,735 4,736 1,739 3,740 3,745 2,748 1,749 1,751 4,753 15,754 11,755 2,756 3,761 2,763 2,765 2,772 31,773 8,774 1,775 8,779 1,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 34,845 1,846 4,848 4,850 3,852 1,862 10.8,864 1,865 2,866 2,867 2,869 18.417,870 12.233,871 7.653,872 3.753,874 2.054,875 1.274,876 0.896,877 9.224,878 9.547,879 3.829,880 4.304,881 4.714,882 5.153,883 5.598,884 5.615,885 5.844,886 6.009,887 6.164,888 6.439,889 0.889,890 52,891 12.644,893 5.319,894 7.929,895 23.703,897 18.947,899 2.429,900 82.583,904 353.133,905 154.71,906 16.786,908 136.973,911 154.71,912 490.106,913 16.786,914 28.533,915 12.196,916 76.17,917 163.402,918 51.709,919 11.771,920 317.82,922 353.133,923 171.495,924 136.973,927 270.735,928 197.371,929 22,930 0.36,931 47.941,932 87.456,933 35.738,935 353.133,936 153.758,937 154.71,940 353.493,941 31.912,942 122.438,944 153.758,945 353.133,946 153.758,947 154.71,949 0.572,950 0.322,951 0.167,952 0.094,953 20,954 10,955 0.164,956 11,958 1,959 4.345,960 305.927,962 18,963 170.974,968 25.888,969 12.115,970 7.134,972 153.758,973 14.175,974 4.232,978 1.625,980 42.683,981 661.601,982 45,987 22.869,989 3.843,991 -1.305,994 65.647,995 73.192,996 0.245,997 0.612,998 0.838,999 0.912,1000 0.923,1001 0.923,1002 5.069,1003 1.583,1004 5.969,1005 4.845,1006 4.595,1007 4.99,1008 3.103,1009 6.797,1010 4.529,1011 6.245,1012 1.472,1013 7.546,1014 3.659,1015 4.29,1016 4.677,1017 2.243,1018 7.978,1019 4.198,1020 7.536,1021 1.388,1022 9.244,1023 3.19,1024 6.236,1025 6.993,1026 4.167,1027 11.026,1028 6.101,1029 8.86,1030 1.127,1031 11.02,1032 3.129,1033 6.781,1034 7.457,1035 4.112,1036 13.058,1037 6.604,1038 10.218,1039 1,1040 12.847,1041 2.6,1042 8.232,1043 9.295,1044 5.508,1045 15.703,1046 8.015,1047 11.6,1048 1,1049 14.71,1050 2.476,1051 9.149,1052 10.136,1053 5.889,1054 18.032,1055 8.882,1056 13.001,1057 0.779,1058 16.597,1059 2.136,1060 10.424,1061 11.761,1062 7.012,1063 20.568,1064 10.115,1065 3.416,1066 0.266,1067 18.503,1068 1.67,1069 11.503,1070 12.807,1071 7.625,1072 23.005,1073 11.14,1074 3.006,1075 12.574,1076 20.422,1077 0.416,1078 12.719,1079 14.32,1080 8.609,1081 25.516,1082 12.311,1083 2.908,1084 10.212,1085 22.352,1086 3.953,1087 13.867,1088 15.487,1089 9.342,1090 27.998,1091 13.404,1092 2.267,1093 9.82,1094 24.291,1095 3.59,1096 15.068,1097 16.936,1098 10.258,1099 30.508,1100 14.555,1101 2.223,1102 6.418,1103 26.236,1104 3.339,1105 16.247,1106 18.176,1107 11.051,1108 33.011,1109 15.68,1110 2.039,1111 5.811,1112 28.186,1113 2.733,1114 17.447,1115 19.588,1116 11.933,1117 35.526,1118 16.828,1119 1.738,1120 5.183,1121 30.141,1122 2.686,1123 18.642,1124 20.874,1125 12.755,1126 38.04,1127 17.968,1128 15399,1129 27051,1130 23.345,1131 41.608,1132 53.482,1133 55.169,1134 54.787,1135 52.534,1136 52.568,1137 64.239,1138 14.303,1139 148.608,1140 50.776,1141 5.47,1142 5.818,1143 7.121,1144 5.447,1145 5.416,1146 6.953,1147 4.015,1148 20.086,1149 5.248,1150 19.451,1151 1.486,1152 1.532,1153 1.522,1154 1.459,1155 1.46,1156 1.784,1157 0.397,1158 4.128,1159 1.41,1160 3.995,1161 4.017,1162 3.933,1163 3.88,1164 7.474,1165 3.887,1166 3.909,1167 3.93,1168 3.854,1169 3.821,1170 7.433,1171 3.824,1172 3.76,1173 3.803,1174 3.664,1175 3.645,1176 6.351,1177 3.64,1178 3.699,1179 3.733,1180 3.597,1181 3.536,1182 4.948,1183 3.543,1184 3.555,1185 3.601,1186 3.435,1187 3.399,1188 4.848,1189 3.396,1190 3.398,1191 3.419,1192 3.306,1193 3.112,1194 4.71,1195 3.153,1196 3.324,1197 3.353,1198 3.213,1199 3.111,1200 4.479,1201 3.129,1202 2.983,1203 3.042,1204 2.827,1205 2.795,1206 4.387,1207 2.791,1208 0.124,1209 0.106,1210 0.203,1211 0.121,1212 0.095,1213 4.47,1214 0.11,1215 3.818,1216 0.065,1217 7.319,1218 0.349,1219 4.369,1220 0.09,1221 3.416,1222 3.953,1223 2.341,1224 12.574,1225 3.248,1226 1.914,1227 1.892,1228 2.048,1229 2.06,1230 1.362,1231 2.053,1232 1.889,1233 1.865,1234 1.997,1235 1.996,1236 1.15,1237 1.994,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.116,1243 1.906,1244 1.661,1245 1.622,1246 1.873,1247 1.848,1248 1.039,1249 1.853,1250 1.534,1251 1.485,1252 1.772,1253 1.727,1254 0.935,1255 1.742,1256 1.276,1257 1.242,1258 1.596,1259 1.601,1260 0.647,1261 1.59,1262 1.252,1263 1.216,1264 1.494,1265 1.505,1266 0.582,1267 1.495,1268 0.963,1269 0.902,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.29,1276 5.595,1278 7.096,1280 8.69,1282 10.336,1284 5.017,1289 8.807,1290 1.655,1292 23.583,1294 -0.995,1296 -0.924,1300 39.927,1301 96.011,1302 239.531,1303 328.17,1304 357.189,1305 361.189,1306 361.189,1307 95.117,1308 7.494,1309 104.18,1310 104.18,1311 18,1312 12.625,1313 4,1314 3.322,1315 67.066,1316 153,1317 182,1318 0.212,1319 246.413,1320 448.25,1321 593.007,1322 17761,1324 24.554,1325 0.722,1326 0.579,1327 24.554,1328 19.678,1329 16.314,1330 0.453,1331 0.312,1332 11.019,1333 15.521,1334 10.688,1335 8.888,1336 16.314,1337 11.217,1338 14.65,1339 0.299,1340 0.176,1341 14.65,1342 8.601,1343 11.396,1344 0.187,1345 0.091,1346 11.396,1347 5.536,1348 8.996,1349 0.118,1350 0.05,1351 8.996,1352 3.795,1353 7.292,1354 0.076,1355 0.027,1356 7.292,1357 2.617,1358 0.332,1359 103.716,1360 0.207,1361 31.498,1362 0.581,1363 170,1364 580.208,1365 193.862,1366 533.384,1367 702.41,1368 498,1369 195,1370 487.234,1371 218.314,1372 486.61,1373 709.87,1374 453,1375 7.18} {0 CHEMBL159356,1 1.563,2 11.969,3 3.201,4 10.246,5 120.919,6 7.535,7 0.353,8 4.188,9 4.279,10 3.876,11 3.752,12 5.258,13 3.7,14 4.764,15 4.903,16 4.226,17 4.156,18 5.993,19 4.082,20 5.078,21 5.24,22 4.364,23 4.341,24 6.186,25 4.251,26 5.308,27 5.511,28 4.3,29 4.335,30 6.521,31 4.256,32 5.105,33 5.286,34 4.238,35 4.37,36 6.147,37 4.264,38 5.304,39 5.549,40 4.212,41 4.407,42 6.243,43 4.272,44 5.189,45 5.41,46 4.168,47 4.355,48 6.175,49 4.216,50 5.189,51 5.443,52 4.066,53 4.263,54 6.243,55 4.129,56 0.102,57 0.82,58 15.486,59 6.825,60 24.895,61 7.844,62 0.539,63 1.339,64 27.303,65 11.306,66 94.378,67 13.39,68 0.432,69 1.778,70 46.077,71 16.116,72 82.503,73 18.488,74 1.657,75 1.911,76 54.207,77 16.402,78 207.808,79 19.55,80 0.4,81 1.823,82 40.257,83 15.729,84 80.691,85 19.511,86 0.837,87 2.072,88 51.321,89 17.709,90 125.739,91 23.248,92 0.61,93 1.919,94 47.189,95 16.623,96 95.374,97 21.238,98 0.841,99 1.845,100 47.038,101 15.418,102 129.216,103 20.453,104 43,105 48,106 0.253,107 0.582,108 0.774,109 0.852,110 0.864,111 0.864,112 3.502,113 1.063,114 -3.69,115 -3.66,116 -3.48,118 39.3,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 7,141 1,142 1,143 2,154 1,163 1,167 1,168 11,169 1,171 2,172 6,175 1,177 1,180 11,181 1,186 17,191 1,194 7,195 1,197 5,198 10,203 1,206 9,207 1,210 11,215 1,218 12,219 1,221 1,222 13,227 1,229 9,230 1,234 12,239 1,242 11,246 2,247 5,248 2,255 12,256 1,258 2,259 6,262 2,264 1,267 13,268 1,270 1938,271 20.992,272 20.992,273 20.992,274 20.992,275 20.992,276 18.822,277 18.434,278 12.588,279 21.449,280 16.771,281 16.771,282 16.771,283 16.771,284 16.771,285 13.597,286 19.519,287 5.975,288 17.55,289 4.368,290 2.327,291 1.138,292 0.66,293 0.582,294 0.582,295 4.178,299 1,300 1,301 794,302 4.743,306 350.123,313 1.973,314 51.16,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 70.5,326 383,327 5.136,328 5.531,329 8.499,330 4.738,331 3.852,332 4.873,333 2.95,334 16.269,335 3.402,336 4.192,337 3.657,338 6.657,339 4.005,340 3.041,341 3.584,342 2.341,343 10.37,344 2.922,345 3.914,346 3.597,347 6.458,348 3.624,349 2.667,350 3.247,351 1.465,352 9.44,353 2.52,354 3.568,355 3.329,356 5.297,357 3.255,358 2.262,359 2.808,360 0.811,361 6.406,362 2.236,363 3.532,364 2.635,365 5.207,366 3.215,367 2.221,368 2.722,370 5.459,371 2.19,372 3.397,373 2.34,374 4.659,375 2.941,376 1.954,377 2.577,379 5.182,380 1.919,381 3.106,382 1.985,383 4.315,384 2.644,385 1.666,386 2.196,388 4.047,389 1.625,390 2.843,391 1.865,392 4.108,393 2.457,394 1.503,395 1.92,397 3.588,398 1.427,399 2.699,400 1.813,401 3.643,402 2.403,403 1.42,404 1.752,406 3.133,407 1.385,408 2.5,409 1.419,410 3.587,411 2.062,412 1.068,413 1.5,415 2.604,416 1.06,417 2.5,418 1.241,419 3.479,420 2,421 1,422 1.5,424 2.474,425 1,426 2.448,427 1.121,428 3.247,429 1.958,430 1,431 1.402,433 2.136,434 0.955,435 2.168,436 1,437 3.247,438 1.912,439 1,440 1.135,442 2.136,443 0.903,444 1.914,445 1,446 3.162,447 1.764,448 0.769,449 0.825,451 1.656,452 0.761,453 1.273,454 0.737,455 2.987,456 1.03,457 0.059,458 0.067,460 0.138,461 0.057,462 15.233,463 0.476,464 0.941,465 0.029,466 37,467 1.156,468 17.5,469 0.547,470 19.5,471 0.609,472 32.99,473 1.031,474 36.367,475 0.596,476 31.705,477 0.991,478 7.043,479 0.22,480 8.189,481 0.256,482 0.153,483 0.088,484 0.197,487 0.666,488 1.265,489 0.86,490 1.254,491 0.706,492 1.042,493 0.787,494 1.065,495 0.897,496 1.018,497 0.574,498 1.001,499 1.012,500 1.376,501 1.386,502 1.544,503 0.886,504 1.206,505 1.654,506 0.675,507 1.091,508 0.689,509 1.431,510 0.809,511 0.876,512 1.286,513 1.109,514 1.275,515 0.764,516 1.226,517 0.94,518 0.873,519 0.872,520 0.839,521 0.79,522 0.92,523 0.898,524 1.129,525 1.084,526 1.127,527 0.731,528 1.104,529 0.939,530 0.813,531 0.895,532 0.8,533 0.944,534 0.867,535 7,536 0.181,537 5.111,538 2.813,539 1.813,540 1.396,541 0.912,542 0.655,543 0.448,544 0.251,545 12796,546 39334,547 1.979,548 47.5,549 4,550 12,551 1,552 2,553 1,554 2,555 6,556 1,558 1.75,559 1.829,560 3.521,561 -0.341,563 1,567 95.345,568 1.563,569 3.604,570 4.793,571 5.271,572 5.349,573 5.349,574 3.129,575 4.14,576 4.961,577 3.721,578 1845.42,579 8.714,580 26709.5,585 361.775,586 1.623,587 4.903,588 0.206,589 0.006,590 0.106,591 0.053,592 0.036,593 0.028,594 0.019,595 0.015,596 0.011,597 0.007,598 0.488,599 0.33,600 1,601 1.547,602 167.321,603 0.025,604 -0.061,605 0.169,606 -0.024,607 -0.11,608 0.024,609 0.153,610 0.034,611 0.092,612 0.072,613 0.177,614 0.009,615 -0.047,616 -0.291,617 -0.125,618 -0.315,619 -0.007,620 -0.174,621 -0.125,622 0.246,623 -0.069,624 0.222,625 -0.105,626 0.101,627 -0.068,628 -0.245,629 -0.157,630 -0.231,631 -0.032,632 -0.211,633 -0.063,634 0.08,635 0.039,636 0.081,637 -0.056,638 0.063,639 -0.073,640 -0.135,641 -0.08,642 -0.104,643 -0.038,644 -0.095,645 -0.045,646 0.147,647 0.043,648 0.115,649 -0.034,650 0.107,651 4.646,652 6.345,653 0.563,654 36.633,655 1.008,656 1.123,657 2.464,658 6.072,659 0.656,660 3.555,661 3.892,662 4.143,663 4.304,664 4.511,665 4.575,666 4.736,667 4.787,668 4.804,669 4.82,670 7.102,671 0.621,672 459.61,673 3.555,674 5.106,675 5.953,676 6.836,677 7.716,678 8.612,679 9.508,680 10.413,681 11.319,682 12.23,683 1.6,693 1,699 9,700 1,704 2,706 12,724 61,726 16,727 1,728 34,730 63,731 24,733 11,734 1,735 5,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 4,760 1,761 3,763 2,765 1,769 1,772 29,773 7,774 1,775 8,776 1,779 1,784 1,785 6,795 1,802 3,818 1,822 2,830 1,831 2,832 3,834 1,836 2,840 32,843 1,845 1,846 4,848 2,850 3,852 1,862 9.8,864 1,865 3,866 2,869 17.5,870 11.067,871 7.035,872 3.544,874 1.786,875 1.245,876 0.912,877 7.969,878 9.065,879 3.807,880 4.344,881 4.766,882 5.134,883 5.559,884 5.548,885 5.869,886 5.948,887 6.109,888 6.326,889 1,890 53,891 12.233,893 5.591,894 8.005,895 22.508,897 18.803,899 2.505,900 80.167,903 1,904 329.591,905 145.279,906 16.786,908 134.141,910 6.046,911 139.233,912 463.732,913 16.786,914 17.65,915 12.196,916 91.692,917 175.379,918 22.831,919 11.771,920 294.278,922 329.591,923 156.019,924 134.141,925 6.046,927 247.193,928 194.539,929 22,930 0.36,931 47.941,932 71.98,933 41.784,935 329.591,936 150.927,937 145.279,939 6.046,940 329.95,941 17.842,942 121.031,944 150.927,945 329.591,946 150.927,947 145.279,949 0.584,950 0.335,951 0.164,952 0.088,953 21,954 10,955 0.143,956 9,958 1,959 4.133,960 287.612,962 18,963 152,967 1,968 24.282,969 10.502,970 5.72,972 150.927,973 15.402,974 4.185,978 1.066,980 42.683,981 625.797,982 44,986 -3.729,987 37.376,989 3.764,991 -0.836,994 61.512,995 68.488,996 0.264,997 0.608,998 0.808,999 0.889,1000 0.902,1001 0.902,1002 5.063,1003 1.503,1004 5.994,1005 4.047,1006 4.575,1007 5.03,1008 3.484,1009 6.915,1010 4.474,1011 6.283,1012 1.42,1013 7.644,1014 3.588,1015 4.443,1016 5.037,1017 2.243,1018 8.451,1019 4.199,1020 7.63,1021 1.068,1022 9.447,1023 3.133,1024 6.33,1025 7.235,1026 5.294,1027 11.607,1028 6.057,1029 9.029,1030 1,1031 11.351,1032 2.604,1033 7.091,1034 8.145,1035 4.112,1036 14.025,1037 6.627,1038 10.48,1039 1,1040 13.324,1041 2.474,1042 8.552,1043 9.914,1044 7.326,1045 16.889,1046 8.03,1047 11.97,1048 1,1049 15.343,1050 2.136,1051 9.675,1052 11.22,1053 5.889,1054 19.564,1055 8.964,1056 13.492,1057 0.769,1058 17.394,1059 2.136,1060 11.025,1061 12.857,1062 9.43,1063 22.369,1064 10.218,1065 3.852,1066 0.059,1067 19.468,1068 1.656,1069 12.284,1070 14.327,1071 7.625,1072 25.12,1073 11.309,1074 3.041,1075 16.269,1076 21.558,1077 0.138,1078 13.614,1079 15.924,1080 11.561,1081 27.913,1082 12.52,1083 2.667,1084 10.37,1085 23.661,1086 4.873,1087 14.923,1088 17.461,1089 9.342,1090 30.689,1091 13.677,1092 2.262,1093 9.44,1094 25.773,1095 3.584,1096 16.256,1097 19.046,1098 13.706,1099 33.479,1100 14.88,1101 2.221,1102 6.406,1103 27.891,1104 3.247,1105 17.585,1106 20.61,1107 11.051,1108 36.264,1109 16.067,1110 1.954,1111 5.459,1112 30.015,1113 2.808,1114 18.922,1115 22.192,1116 15.858,1117 39.053,1118 17.272,1119 1.666,1120 5.182,1121 32.142,1122 2.722,1123 20.261,1124 23.767,1125 12.755,1126 41.84,1127 18.474,1128 12740,1129 22444,1130 21.841,1131 40.04,1132 51.602,1133 53.023,1134 52.396,1135 51.079,1136 50.967,1137 64.217,1138 15.134,1139 150.075,1140 48.725,1141 6.136,1142 7.531,1143 8.301,1144 5.859,1145 5.852,1146 7.873,1147 5.9,1148 25.691,1149 5.402,1150 18.115,1151 1.518,1152 1.559,1153 1.541,1154 1.502,1155 1.499,1156 1.889,1157 0.445,1158 4.414,1159 1.433,1160 4.125,1161 4.099,1162 4.754,1163 4.136,1164 7.713,1165 4.034,1166 3.935,1167 3.961,1168 3.88,1169 3.835,1170 7.474,1171 3.835,1172 3.759,1173 3.803,1174 3.69,1175 3.658,1176 6.999,1177 3.645,1178 3.731,1179 3.761,1180 3.654,1181 3.64,1182 6.351,1183 3.621,1184 3.598,1185 3.63,1186 3.534,1187 3.436,1188 4.929,1189 3.435,1190 3.367,1191 3.374,1192 3.325,1193 3.171,1194 4.745,1195 3.167,1196 3.235,1197 3.256,1198 3.142,1199 3.072,1200 4.707,1201 3.042,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.371,1207 2.791,1208 0.151,1209 0.163,1210 0.25,1211 0.139,1212 0.113,1213 5.136,1214 0.143,1215 5.531,1216 0.087,1217 8.499,1218 0.479,1219 4.738,1220 0.1,1221 3.852,1222 4.873,1223 2.95,1224 16.269,1225 3.402,1226 2.003,1227 2.023,1228 2.048,1229 2.08,1230 1.392,1231 2.113,1232 1.898,1233 1.868,1234 2.003,1235 2.01,1236 1.318,1237 2.026,1238 1.749,1239 1.708,1240 1.927,1241 1.894,1242 1.134,1243 1.906,1244 1.71,1245 1.682,1246 1.874,1247 1.849,1248 1.019,1249 1.867,1250 1.555,1251 1.515,1252 1.772,1253 1.74,1254 0.935,1255 1.756,1256 1.262,1257 1.239,1258 1.494,1259 1.512,1260 0.648,1261 1.5,1262 1.139,1263 1.128,1264 1.417,1265 1.326,1266 0.469,1267 1.38,1268 0.94,1269 0.888,1270 1.215,1271 1.239,1272 0.416,1273 1.308,1274 4.234,1276 5.565,1278 7.107,1280 8.751,1282 10.452,1284 3.235,1289 8.776,1290 1.444,1292 12.244,1294 -1.436,1296 -1.322,1300 37.872,1301 95.345,1302 219.828,1303 292.349,1304 321.51,1305 326.265,1306 326.265,1307 100.333,1308 7.279,1309 102.79,1310 111.17,1311 18,1312 12.746,1313 4.087,1314 3.459,1315 60.922,1316 131,1317 166,1318 0.223,1319 237.29,1320 426.01,1321 570.748,1322 12817,1324 23.192,1325 0.725,1326 0.596,1327 23.442,1328 19.072,1329 15.231,1330 0.448,1331 0.354,1332 10.556,1333 13.853,1334 10.126,1335 8.394,1336 16.001,1337 12.05,1338 14.142,1339 0.295,1340 0.226,1341 15.529,1342 10.858,1343 11.467,1344 0.185,1345 0.13,1346 13.054,1347 8.088,1348 8.434,1349 0.116,1350 0.071,1351 9.489,1352 5.159,1353 6.656,1354 0.074,1355 0.039,1356 7.477,1357 3.503,1358 0.347,1359 103.46,1360 0.214,1361 29.821,1362 0.621,1363 164,1364 527.333,1365 224.768,1366 515.094,1367 676.06,1368 474,1369 192,1370 441.533,1371 259.077,1372 480.671,1373 701.88,1374 448,1375 7.398} {0 CHEMBL159420,1 1.562,2 12.125,3 4.096,4 16.774,5 125.808,6 7.544,7 0.353,8 4.163,9 4.263,10 3.766,11 3.746,12 5.288,13 3.695,14 4.713,15 4.861,16 4.164,17 4.153,18 5.807,19 4.063,20 5.009,21 5.184,22 4.276,23 4.33,24 6.002,25 4.206,26 5.148,27 5.37,28 4.202,29 4.315,30 6.115,31 4.201,32 5.054,33 5.243,34 4.192,35 4.375,36 6.027,37 4.253,38 5.252,39 5.495,40 4.217,41 4.421,42 6.174,43 4.279,44 5.191,45 5.426,46 4.127,47 4.36,48 6.186,49 4.206,50 5.097,51 5.361,52 3.977,53 4.255,54 5.966,55 4.098,56 0.025,57 0.793,58 12.717,59 6.218,60 17.047,61 7.531,62 0.371,63 1.306,64 25.797,65 10.841,66 56.172,67 13.016,68 0.308,69 1.736,70 43.264,71 15.67,72 56.243,73 18.067,74 0.742,75 1.833,76 45.759,77 15.426,78 89.416,79 18.936,80 0.218,81 1.816,82 37.83,83 15.216,84 56.402,85 19.168,86 0.472,87 2.101,88 47.211,89 17.505,90 84.556,91 23.114,92 0.605,93 2.005,94 47.528,95 16.54,96 106.247,97 21.294,98 0.438,99 1.8,100 42.172,101 15.158,102 71.33,103 20.241,104 35,105 46,106 0.253,107 0.604,108 0.799,109 0.878,110 0.888,111 0.888,112 3.502,113 1.009,114 -4.19,115 -4.13,116 -3.91,118 41.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 2,142 1,143 2,154 2,163 1,167 1,168 11,169 1,171 1,172 7,175 1,177 1,180 15,181 1,186 12,191 1,194 9,195 1,197 1,198 9,203 1,206 10,207 1,210 10,215 1,218 14,219 1,221 1,222 11,227 1,229 11,230 1,233 2,234 9,239 1,242 13,247 1,248 2,255 13,256 1,258 2,259 6,262 2,264 1,267 14,268 1,270 2004,271 21.43,272 21.43,273 21.43,274 21.43,275 21.43,276 19.393,277 19.914,278 12.984,279 21.775,280 16.752,281 16.752,282 16.752,283 16.752,284 16.752,285 13.778,286 19.991,287 6.11,288 17.371,289 4.345,290 2.183,291 0.975,292 0.492,293 0.425,294 0.425,295 4.183,299 1,300 1,301 804,302 4.359,306 346.212,313 2.148,314 33.969,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 69,326 388,327 4.456,328 4.864,329 7.318,330 4.347,331 3.414,332 3.887,333 2.95,334 12.567,335 3.179,336 4.21,337 4.076,338 6.501,339 3.956,340 2.991,341 3.589,342 2.341,343 10.197,344 2.88,345 4.101,346 3.597,347 6.118,348 3.739,349 2.766,350 3.326,351 2.035,352 8.902,353 2.68,354 3.566,355 3.587,356 5.25,357 3.256,358 2.265,359 2.732,360 1.465,361 6.411,362 2.237,363 3.513,364 3.333,365 4.892,366 3.217,367 2.222,368 2.674,369 0.811,370 5.195,371 2.192,372 3.364,373 2.638,374 4.659,375 2.729,376 1.769,377 2.253,379 5.16,380 1.686,381 3.118,382 2.341,383 4.304,384 2.568,385 1.61,386 2.203,388 3.989,389 1.533,390 2.906,391 2.114,392 4.121,393 2.497,394 1.517,395 2.053,397 3.636,398 1.486,399 2.84,400 1.959,401 3.64,402 2.443,403 1.469,404 1.917,406 3.138,407 1.421,408 2.66,409 1.862,410 3.621,411 2.356,412 1.386,413 1.58,415 3.016,416 1.329,417 2.583,418 1.49,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.5,427 1.414,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.169,436 1.225,437 3.235,438 1.772,439 0.779,440 0.974,442 1.671,443 0.768,444 1.918,445 1,446 3.01,447 1.478,448 0.532,449 0.831,451 0.903,452 0.5,453 1.325,454 0.81,455 2.737,456 1.037,457 0.074,458 0.085,460 0.171,461 0.07,462 15.467,463 0.483,464 0.769,465 0.024,466 37.25,467 1.164,468 18,469 0.563,470 19.25,471 0.602,472 33.597,473 1.05,474 34.933,475 0.582,476 28.578,477 0.893,478 6.984,479 0.218,480 8.419,481 0.263,482 0.134,483 0.032,484 0.226,487 0.796,488 1.143,489 0.786,490 1.027,491 0.671,492 0.981,493 0.869,494 0.986,495 0.927,496 0.968,497 0.498,498 0.97,499 1.031,500 1.274,501 1.441,502 1.477,503 0.78,504 1.195,505 1.527,506 0.763,507 1.032,508 0.776,509 0.853,510 0.819,511 0.827,512 1.23,513 1.122,514 1.248,515 0.629,516 1.206,517 0.863,518 0.972,519 0.863,520 0.93,521 0.588,522 0.982,523 1.005,524 1.005,525 1.135,526 1.056,527 0.928,528 1.072,529 0.815,530 0.839,531 0.871,532 0.833,533 0.678,534 0.882,535 6.5,536 0.182,537 3.778,538 2,539 1.787,540 1.444,541 0.628,542 0.483,543 0.447,544 0.256,545 13284,546 39904,547 2.004,548 46.7,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.749,559 1.873,560 3.539,561 -0.372,563 1,567 93.711,568 1.562,569 3.724,570 4.931,571 5.415,572 5.482,573 5.482,574 3.114,575 4.476,576 4.962,577 3.77,578 1869.84,579 8.712,580 27686.6,582 1,585 354.413,586 1.501,587 4.922,588 0.191,589 0.006,590 0.082,591 0.042,592 0.038,593 0.029,594 0.013,595 0.011,596 0.011,597 0.007,598 0.431,599 0.33,600 1,601 1.606,602 168.492,603 -0.034,604 -0.039,605 0.054,606 0.016,607 -0.028,608 0.019,609 0.126,610 0.067,611 0.078,612 0.102,613 0.126,614 0.023,615 -0.046,616 -0.224,617 -0.14,618 -0.251,619 -0.047,620 -0.167,621 -0.191,622 0.186,623 0.011,624 0.206,625 -0.061,626 0.143,627 -0.053,628 -0.212,629 -0.162,630 -0.217,631 -0.015,632 -0.201,633 -0.006,634 -0.018,635 0.044,636 0.005,637 0.015,638 0.007,639 -0.054,640 -0.018,641 -0.108,642 -0.058,643 -0.073,644 -0.087,645 -0.042,646 0.11,647 0.064,648 0.113,649 -0.039,650 0.119,651 2.465,652 3.702,653 0.563,654 38.375,655 1.001,656 1.119,657 2.961,658 8.767,659 0.673,660 3.555,661 3.85,662 4.06,663 4.277,664 4.511,665 4.564,666 4.654,667 4.727,668 4.812,669 4.868,670 7.369,671 0.632,672 452.62,673 3.555,674 5.081,675 5.905,676 6.772,677 7.623,678 8.5,679 9.365,680 10.248,681 11.121,682 12.009,683 3.3,692 1,693 1,699 8,700 1,704 3,706 12,707 1,724 60,726 15,727 1,728 34,730 62,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,752 1,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,772 28,773 6,774 1,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 2,840 32,845 1,846 4,848 2,849 1,850 3,852 1,853 1,858 1,860 1,862 6.7,864 1,865 1,866 2,869 17.083,870 11.1,871 7.208,872 3.553,874 2.107,875 1.287,876 0.905,877 8.613,878 9.457,879 3.807,880 4.263,881 4.687,882 5.136,883 5.576,884 5.585,885 5.801,886 5.964,887 6.141,888 6.42,889 1,890 48,891 11.854,893 4.966,894 7.852,895 22.554,897 18.351,899 2.352,900 75.25,903 1,904 317.82,905 181.764,906 47.845,908 89.828,910 32.22,911 149.544,912 407.648,913 47.845,914 17.65,915 12.196,916 76.17,917 147.667,918 57.076,919 11.771,920 314.726,922 317.82,923 197.389,924 89.828,925 32.22,927 235.422,928 150.226,929 22,930 0.36,931 79.001,932 82.291,933 35.738,934 32.22,935 317.82,936 137.673,937 181.764,940 318.179,941 53.247,942 111.555,943 16.602,944 137.673,945 317.82,946 137.673,947 181.764,949 0.57,950 0.319,951 0.167,952 0.094,953 19,954 9,955 0.145,956 9,958 1,959 4.232,960 280.069,962 18,963 158,964 1,968 24.168,969 11.404,970 6.757,972 137.673,973 14.99,974 4.256,978 2.52,980 42.683,981 637.257,982 44,987 10.702,989 3.909,991 -0.798,994 60.076,995 67.152,996 0.264,997 0.63,998 0.835,999 0.917,1000 0.928,1001 0.928,1002 5.05,1003 1.517,1004 5.9,1005 3.989,1006 4.533,1007 4.949,1008 3.71,1009 6.72,1010 4.453,1011 6.231,1012 1.469,1013 7.47,1014 3.636,1015 4.205,1016 4.559,1017 2.243,1018 7.901,1019 4.067,1020 7.52,1021 1.386,1022 9.163,1023 3.138,1024 6.168,1025 6.949,1026 5.453,1027 10.94,1028 5.994,1029 8.838,1030 1,1031 10.936,1032 3.016,1033 6.698,1034 7.347,1035 4.112,1036 12.982,1037 6.442,1038 10.19,1039 1,1040 12.762,1041 2.476,1042 8.159,1043 9.239,1044 7.416,1045 15.624,1046 7.865,1047 11.565,1048 0.779,1049 14.624,1050 2.136,1051 9.071,1052 10.026,1053 5.889,1054 17.963,1055 8.686,1056 12.959,1057 0.532,1058 16.512,1059 1.671,1060 10.351,1061 11.684,1062 9.476,1063 20.502,1064 9.917,1065 3.414,1066 0.074,1067 18.42,1068 0.903,1069 11.428,1070 12.686,1071 7.625,1072 22.948,1073 10.907,1074 2.991,1075 12.567,1076 20.341,1077 0.171,1078 12.648,1079 14.216,1080 11.584,1081 25.464,1082 12.066,1083 2.766,1084 10.197,1085 22.274,1086 3.887,1087 13.797,1088 15.346,1089 9.342,1090 27.954,1091 13.132,1092 2.265,1093 8.902,1094 24.216,1095 3.589,1096 15.001,1097 16.8,1098 13.717,1099 30.469,1100 14.268,1101 2.222,1102 6.411,1103 26.164,1104 3.326,1105 16.183,1106 18.008,1107 11.051,1108 32.977,1109 15.369,1110 1.769,1111 5.195,1112 28.118,1113 2.732,1114 17.386,1115 19.418,1116 15.863,1117 35.496,1118 16.499,1119 1.61,1120 5.16,1121 30.078,1122 2.674,1123 18.584,1124 20.675,1125 12.755,1126 38.013,1127 17.619,1128 13201,1129 22971,1130 22.246,1131 40.375,1132 51.639,1133 55.183,1134 51.09,1135 49.679,1136 49.587,1137 61.478,1138 19.203,1139 139.138,1140 47.64,1141 5.456,1142 6.864,1143 7.12,1144 5.477,1145 5.414,1146 6.887,1147 5.9,1148 20.047,1149 5.179,1150 17.066,1151 1.519,1152 1.623,1153 1.503,1154 1.461,1155 1.458,1156 1.808,1157 0.565,1158 4.092,1159 1.401,1160 3.985,1161 4.011,1162 4.079,1163 3.922,1164 7.474,1165 3.898,1166 3.897,1167 3.922,1168 3.87,1169 3.829,1170 6.82,1171 3.827,1172 3.76,1173 3.803,1174 3.677,1175 3.646,1176 6.351,1177 3.641,1178 3.693,1179 3.728,1180 3.634,1181 3.575,1182 4.931,1183 3.555,1184 3.55,1185 3.598,1186 3.483,1187 3.413,1188 4.754,1189 3.403,1190 3.323,1191 3.353,1192 3.248,1193 3.115,1194 4.674,1195 3.131,1196 3.183,1197 3.236,1198 3.143,1199 3.033,1200 4.372,1201 3.052,1202 2.967,1203 3.016,1204 2.956,1205 2.798,1206 4.103,1207 2.791,1208 0.131,1209 0.143,1210 0.215,1211 0.128,1212 0.1,1213 4.456,1214 0.114,1215 4.864,1216 0.087,1217 7.318,1218 0.37,1219 4.347,1220 0.093,1221 3.414,1222 3.887,1223 2.95,1224 12.567,1225 3.179,1226 1.918,1227 1.898,1228 2.045,1229 2.049,1230 1.364,1231 2.049,1232 1.892,1233 1.865,1234 1.98,1235 1.957,1236 1.189,1237 1.978,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.13,1243 1.906,1244 1.665,1245 1.628,1246 1.864,1247 1.837,1248 1.025,1249 1.848,1250 1.536,1251 1.488,1252 1.77,1253 1.715,1254 0.935,1255 1.739,1256 1.252,1257 1.217,1258 1.494,1259 1.504,1260 0.647,1261 1.495,1262 1.12,1263 1.075,1264 1.417,1265 1.296,1266 0.469,1267 1.308,1268 0.94,1269 0.888,1270 1.228,1271 1.239,1272 0.397,1273 1.274,1274 4.234,1276 5.533,1278 7.031,1280 8.621,1282 10.264,1284 4.117,1289 8.796,1290 1.859,1292 12.671,1293 1.572,1294 -0.585,1296 -0.435,1298 9.43,1299 2.248,1300 37.937,1301 93.711,1302 223.443,1303 295.884,1304 324.904,1305 328.904,1306 328.904,1307 81.879,1308 7.35,1309 92.44,1310 117.74,1311 18,1312 12.543,1313 4,1314 3.459,1315 60.935,1316 136,1317 166,1318 0.213,1319 239.829,1320 431.45,1321 576.944,1322 14663,1324 22.976,1325 0.718,1326 0.598,1327 23.33,1328 19.125,1329 15.403,1330 0.453,1331 0.336,1332 10.574,1333 14.422,1334 10.181,1335 8.453,1336 15.784,1337 11.44,1338 13.769,1339 0.299,1340 0.216,1341 14.589,1342 9.918,1343 10.644,1344 0.187,1345 0.115,1346 11.451,1347 6.546,1348 8.545,1349 0.12,1350 0.067,1351 9.408,1352 4.765,1353 6.919,1354 0.077,1355 0.038,1356 7.703,1357 3.394,1358 0.334,1359 99.96,1360 0.212,1361 30.011,1362 0.585,1363 160,1364 483.507,1365 203.444,1366 483.009,1367 638.45,1368 450,1369 183,1370 425.931,1371 221.951,1372 448.301,1373 650.12,1374 419,1375 7.398} {0 CHEMBL159510,1 1.376,2 13.588,3 5.059,4 25.592,5 132.293,6 6.587,7 0.333,8 4.319,9 4.433,10 3.764,11 3.824,12 5.352,13 3.782,14 4.897,15 5.071,16 4.148,17 4.216,18 5.93,19 4.159,20 5.205,21 5.388,22 4.224,23 4.415,24 6.179,25 4.321,26 5.399,27 5.655,28 4.164,29 4.457,30 6.246,31 4.33,32 5.273,33 5.499,34 4.16,35 4.459,36 6.145,37 4.327,38 5.372,39 5.642,40 4.142,41 4.416,42 6.185,43 4.28,44 5.22,45 5.444,46 4.068,47 4.334,48 6.117,49 4.223,50 5.193,51 5.44,52 4.075,53 4.365,54 6.045,55 4.238,56 0.043,57 0.92,58 16.603,59 7.403,60 15.951,61 9.716,62 0.418,63 1.481,64 30.983,65 12.007,66 60.202,67 16.182,68 0.614,69 1.912,70 42.752,71 15.822,72 68.772,73 21.325,74 0.784,75 2.141,76 52.791,77 18.056,78 89.863,79 25.208,80 0.309,81 2.07,82 44.886,83 17.365,84 61.182,85 24.244,86 0.569,87 2.125,88 50.796,89 17.585,90 74.209,91 25.22,92 0.668,93 1.85,94 44.077,95 15.137,96 74.779,97 20.824,98 0.392,99 1.899,100 41.755,101 15.42,102 58.983,103 21.903,104 59,105 51,106 0.217,107 0.536,108 0.723,109 0.811,110 0.822,111 0.822,112 3.56,113 0.991,114 -4.6,115 -4.52,116 -4.26,118 39.4,119 5,120 3,121 1,122 1,124 1,126 1,127 1,129 1,133 2,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 10,175 1,177 1,180 19,181 1,185 2,186 11,191 1,194 15,195 1,197 1,198 7,203 1,206 15,207 1,210 12,215 1,218 12,219 1,221 1,222 14,227 1,229 9,230 1,233 1,234 10,239 1,242 13,247 4,248 2,255 18,256 1,258 2,259 11,262 2,264 1,267 13,268 1,270 2344,271 21.979,272 21.979,273 21.979,274 21.979,275 21.979,276 20.101,277 26.81,278 13.037,279 22.26,280 17.794,281 17.794,282 17.794,283 17.794,284 17.794,285 15.088,286 31.489,287 6.23,288 18.285,289 4.774,290 2.751,291 1.565,292 1.008,293 0.941,294 0.941,295 4.237,300 1,301 954,302 4.899,306 379.735,313 2.329,314 34.144,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 73.5,326 462,327 4.46,328 3.802,329 7.315,330 4.364,331 3.409,332 3.843,333 2.341,334 12.546,335 3.313,336 4.4,337 3.597,338 7.111,339 4.309,340 3.311,341 3.592,342 1.465,343 11.657,344 3.24,345 4.137,346 3.538,347 6.5,348 3.953,349 2.983,350 3.417,351 0.86,352 10.191,353 2.889,354 3.747,355 3.331,356 5.401,357 3.376,358 2.411,359 3.058,360 0.811,361 6.99,362 2.318,363 3.566,364 2.726,365 5.244,366 3.255,367 2.262,368 2.731,370 6.398,371 2.236,372 3.507,373 2.428,374 4.789,375 3.215,376 2.221,377 2.669,379 5.185,380 2.191,381 3.118,382 2.226,383 4.659,384 2.726,385 1.752,386 2.202,388 5.058,389 1.697,390 2.929,391 1.944,392 4.54,393 2.591,394 1.615,395 2.038,397 4.536,398 1.572,399 2.845,400 1.861,401 4.127,402 2.481,403 1.52,404 1.922,406 3.651,407 1.458,408 2.594,409 1.655,410 3.637,411 2.434,412 1.449,413 1.587,415 3.137,416 1.418,417 2.5,418 1.402,419 3.48,420 2,421 1,422 1.5,424 2.477,425 1,426 2.5,427 1.217,428 3.414,429 1.958,430 1,431 1.5,433 2.275,434 0.955,435 2.169,436 1,437 3.279,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.918,445 1,446 3.247,447 1.772,448 0.779,449 0.832,451 1.671,452 0.769,453 1.303,454 0.741,455 3.024,456 1.044,457 0.087,458 0.1,460 0.213,461 0.082,462 16.067,463 0.473,464 1.113,465 0.033,466 35.5,467 1.044,468 15,469 0.441,470 20.5,471 0.603,472 40.06,473 1.178,474 39.133,475 0.551,476 28.604,477 0.841,478 6.588,479 0.194,480 9.471,481 0.279,482 0.197,483 0.062,484 0.218,487 0.825,488 1.319,489 0.915,490 1.257,491 0.819,492 1.122,493 0.92,494 1.078,495 0.886,496 1.05,497 0.543,498 0.973,499 1.231,500 1.242,501 1.203,502 1.247,503 0.971,504 1.227,505 1.293,506 0.795,507 0.996,508 0.809,509 0.822,510 0.852,511 0.82,512 1.254,513 1.054,514 1.249,515 0.599,516 1.198,517 0.933,518 0.921,519 0.875,520 0.915,521 0.586,522 0.887,523 1.468,524 0.973,525 1.167,526 0.958,527 0.985,528 1.011,529 0.854,530 0.971,531 0.949,532 0.97,533 0.761,534 0.968,535 9,536 0.26,537 4.444,538 2.375,539 1.787,540 1.472,541 0.708,542 0.748,543 0.48,544 0.261,545 16130,546 39462,547 1.963,548 52.1,549 13,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.762,559 1.805,560 3.678,561 -0.421,567 97.667,568 1.376,569 3.399,570 4.584,571 5.142,572 5.209,573 5.209,574 3.223,575 4.057,576 5.048,577 3.919,578 2198.52,579 8.873,580 34535.5,585 436.632,586 1.665,587 4.985,588 0.25,589 0.007,590 0.087,591 0.047,592 0.036,593 0.031,594 0.015,595 0.017,596 0.01,597 0.007,598 0.507,599 0.17,600 0.88,601 1.608,602 183.83,603 -0.016,604 -0.087,605 0.044,606 -0.051,607 -0.094,608 -0.002,609 0.14,610 0.03,611 0.112,612 0.036,613 0.201,614 0.067,615 -0.011,616 -0.184,617 -0.187,618 -0.195,619 -0.089,620 -0.216,621 -0.115,622 0.151,623 0.018,624 0.148,625 -0.056,626 0.109,627 -0.024,628 -0.219,629 -0.099,630 -0.205,631 -0.011,632 -0.17,633 0.007,634 0.039,635 0.107,636 0.04,637 0.037,638 0.084,639 -0.175,640 0.022,641 -0.137,642 0.025,643 -0.139,644 -0.043,645 -0.05,646 0.058,647 0.013,648 0.035,649 -0.037,650 0.037,651 2.458,652 3.73,653 0.529,654 45.114,655 0.995,656 1.127,657 3.372,658 11.373,659 0.634,660 3.611,661 3.951,662 4.111,663 4.304,664 4.533,665 4.635,666 4.754,667 4.852,668 4.836,669 4.868,670 8.049,671 0.593,672 467.66,673 3.611,674 5.165,675 5.984,676 6.864,677 7.709,678 8.595,679 9.453,680 10.343,681 11.209,682 12.102,683 1.4,693 1,699 8,700 1,704 3,706 12,722 1,724 71,726 14,727 1,728 36,730 73,731 28,733 11,734 2,735 4,739 3,740 3,745 5,746 1,748 1,749 1,751 4,753 14,754 14,755 2,756 2,761 1,763 2,765 1,772 37,773 6,774 1,775 6,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 5,840 34,845 1,846 4,848 3,850 3,852 2,862 7,864 1,865 1,866 2,867 1,869 18.833,870 13.9,871 7.347,872 4.246,874 1.865,875 1.249,876 0.891,877 8.781,878 9.359,879 3.807,880 4.304,881 4.673,882 5.1,883 5.567,884 5.623,885 5.862,886 6.039,887 6.107,888 6.301,889 1,890 51,891 12.644,893 5.278,894 7.725,895 24.325,897 19.848,899 2.225,900 75.667,904 423.76,905 163.111,906 16.786,908 100.828,911 163.111,912 524.588,913 16.786,914 44.126,915 12.196,916 76.17,917 131.066,918 40.709,919 11.771,920 388.446,922 423.76,923 179.896,924 100.828,927 341.362,928 161.226,929 22,930 0.36,931 74.417,932 69.382,933 35.738,935 423.76,936 117.613,937 163.111,940 424.119,941 24.72,942 138.031,944 117.613,945 423.76,946 117.613,947 163.111,949 0.588,950 0.312,951 0.151,952 0.084,953 22,954 11,955 0.137,956 10,958 1,959 4.374,960 302.818,962 18,963 162.219,968 26.245,969 11.375,970 7.571,972 117.613,973 15.672,974 4.271,978 3.01,980 42.683,981 704.484,982 44,987 10.73,989 3.928,991 -0.791,994 70.643,995 80.019,996 0.224,997 0.553,998 0.745,999 0.836,1000 0.847,1001 0.847,1002 5.075,1003 1.615,1004 6.028,1005 5.058,1006 4.635,1007 4.99,1008 2.812,1009 6.882,1010 4.579,1011 6.278,1012 1.52,1013 7.63,1014 4.536,1015 4.511,1016 4.783,1017 2.243,1018 8.209,1019 4.44,1020 7.589,1021 1.449,1022 9.357,1023 3.651,1024 6.347,1025 7.003,1026 3.888,1027 11.189,1028 6.238,1029 8.931,1030 1,1031 11.162,1032 3.137,1033 7.013,1034 7.503,1035 4.112,1036 13.301,1037 6.886,1038 10.304,1039 1,1040 13.017,1041 2.477,1042 8.42,1043 9.297,1044 5.312,1045 15.926,1046 8.26,1047 11.7,1048 1,1049 14.905,1050 2.275,1051 9.406,1052 10.127,1053 5.889,1054 18.291,1055 9.224,1056 13.113,1057 0.779,1058 16.816,1059 2.136,1060 10.671,1061 11.73,1062 6.893,1063 20.821,1064 10.46,1065 3.409,1066 0.087,1067 18.742,1068 1.671,1069 11.788,1070 12.741,1071 7.625,1072 23.271,1073 11.552,1074 3.311,1075 12.546,1076 20.681,1077 0.213,1078 13.007,1079 14.238,1080 8.544,1081 25.776,1082 12.744,1083 2.983,1084 11.657,1085 22.627,1086 3.843,1087 14.175,1088 15.359,1089 9.342,1090 28.258,1091 13.887,1092 2.411,1093 10.191,1094 24.579,1095 3.592,1096 15.382,1097 16.793,1098 10.223,1099 30.759,1100 15.067,1101 2.262,1102 6.99,1103 26.537,1104 3.417,1105 16.572,1106 17.984,1107 11.051,1108 33.254,1109 16.232,1110 2.221,1111 6.398,1112 28.498,1113 3.058,1114 17.777,1115 19.379,1116 11.915,1117 35.758,1118 17.411,1119 1.752,1120 5.185,1121 30.461,1122 2.731,1123 18.977,1124 20.617,1125 12.755,1126 38.26,1127 18.585,1128 16072,1129 25306,1130 22.94,1131 44.983,1132 54.721,1133 55.242,1134 54.533,1135 53.614,1136 53.6,1137 64.256,1138 10.954,1139 156.24,1140 52.083,1141 5.46,1142 5.802,1143 7.117,1144 5.439,1145 5.409,1146 6.843,1147 3.925,1148 19.98,1149 5.313,1150 21.286,1151 1.52,1152 1.535,1153 1.515,1154 1.489,1155 1.489,1156 1.785,1157 0.304,1158 4.34,1159 1.447,1160 4.007,1161 4.033,1162 3.937,1163 3.915,1164 7.474,1165 3.914,1166 3.927,1167 3.957,1168 3.859,1169 3.835,1170 6.351,1171 3.837,1172 3.762,1173 3.805,1174 3.668,1175 3.646,1176 4.953,1177 3.641,1178 3.717,1179 3.753,1180 3.61,1181 3.558,1182 4.86,1183 3.565,1184 3.588,1185 3.634,1186 3.468,1187 3.443,1188 4.716,1189 3.437,1190 3.517,1191 3.574,1192 3.373,1193 3.386,1194 4.415,1195 3.375,1196 3.322,1197 3.353,1198 3.207,1199 3.111,1200 4.349,1201 3.128,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.15,1207 2.791,1208 0.124,1209 0.106,1210 0.203,1211 0.121,1212 0.095,1213 4.46,1214 0.107,1215 3.802,1216 0.065,1217 7.315,1218 0.349,1219 4.364,1220 0.092,1221 3.409,1222 3.843,1223 2.341,1224 12.546,1225 3.313,1226 1.951,1227 1.926,1228 2.084,1229 2.064,1230 1.362,1231 2.064,1232 1.904,1233 1.874,1234 2.045,1235 2.028,1236 1.281,1237 2.038,1238 1.749,1239 1.706,1240 1.927,1241 1.896,1242 1.146,1243 1.906,1244 1.684,1245 1.645,1246 1.898,1247 1.871,1248 1.1,1249 1.881,1250 1.575,1251 1.526,1252 1.801,1253 1.756,1254 0.935,1255 1.769,1256 1.521,1257 1.466,1258 1.768,1259 1.692,1260 0.903,1261 1.722,1262 1.252,1263 1.215,1264 1.494,1265 1.505,1266 0.647,1267 1.495,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.29,1276 5.624,1278 7.14,1280 8.738,1282 10.383,1284 10.51,1289 8.82,1290 1.869,1292 18.966,1294 -0.682,1296 -0.635,1300 42.078,1301 97.667,1302 241.327,1303 325.499,1304 365.083,1305 369.838,1306 369.838,1307 89.817,1308 7.494,1309 77.88,1310 77.88,1311 18,1312 12.635,1313 3.907,1314 3.17,1315 67.251,1316 160,1317 182,1318 0.201,1319 260.532,1320 467.91,1321 627.458,1322 17643,1324 24.769,1325 0.729,1326 0.614,1327 24.769,1328 20.861,1329 16.059,1330 0.446,1331 0.33,1332 11.752,1333 15.483,1334 11.236,1335 9.423,1336 16.059,1337 11.894,1338 15.64,1339 0.307,1340 0.204,1341 15.64,1342 10.388,1343 11.151,1344 0.186,1345 0.1,1346 11.151,1347 5.972,1348 8.755,1349 0.12,1350 0.055,1351 8.755,1352 4.004,1353 6.947,1354 0.076,1355 0.029,1356 6.947,1357 2.663,1358 0.32,1359 100.498,1360 0.209,1361 31.758,1362 0.543,1363 174,1364 486.737,1365 192.659,1366 458.222,1367 612.65,1368 428,1369 198,1370 436.052,1371 216.331,1372 440.759,1373 638.98,1374 410,1375 6.553} {0 CHEMBL159528,1 1.612,2 12.882,3 4.597,4 21.135,5 132.437,6 7.604,7 0.333,8 4.238,9 4.338,10 3.839,11 3.777,12 5.376,13 3.734,14 4.792,15 4.941,16 4.249,17 4.192,18 6,19 4.116,20 5.07,21 5.237,22 4.36,23 4.37,24 6.101,25 4.263,26 5.246,27 5.464,28 4.342,29 4.373,30 6.256,31 4.276,32 5.148,33 5.335,34 4.323,35 4.417,36 6.179,37 4.315,38 5.341,39 5.573,40 4.321,41 4.458,42 6.347,43 4.336,44 5.282,45 5.493,46 4.252,47 4.401,48 6.399,49 4.274,50 5.172,51 5.418,52 4.102,53 4.324,54 6.084,55 4.185,56 0.162,57 0.869,58 13.688,59 6.653,60 17.576,61 8.036,62 0.56,63 1.406,64 27.886,65 11.553,66 89.019,67 13.896,68 0.441,69 1.834,70 45.193,71 15.88,72 62.114,73 18.696,74 1.009,75 1.936,76 51.683,77 16.529,78 105.934,79 20.34,80 0.428,81 1.945,82 41.294,83 15.907,84 70.148,85 20.012,86 0.975,87 2.192,88 55.086,89 18.135,90 121.826,91 23.334,92 1.279,93 2.023,94 52.568,95 17.238,96 168.052,97 21.706,98 0.556,99 1.906,100 44.136,101 15.613,102 80.182,103 21.035,104 59,105 50,106 0.258,107 0.602,108 0.807,109 0.87,110 0.88,111 0.88,112 3.56,113 0.997,114 -4.86,115 -4.77,116 -4.47,118 39.1,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 2,142 2,143 2,154 1,162 2,163 1,167 1,168 11,169 1,171 2,172 7,175 1,177 1,180 14,181 1,186 16,191 1,194 9,195 1,197 1,198 14,203 1,206 8,207 1,210 13,215 1,218 15,219 1,221 3,222 13,227 1,229 11,230 1,233 4,234 9,239 1,242 13,247 5,248 2,255 11,256 1,258 2,259 9,262 2,264 1,267 12,268 1,270 2252,271 22.214,272 22.214,273 22.214,274 22.214,275 22.214,276 19.94,277 23.372,278 13.281,279 22.604,280 17.782,281 17.782,282 17.782,283 17.782,284 17.782,285 14.521,286 24.727,287 6.338,288 18.455,289 4.388,290 2.24,291 0.959,292 0.567,293 0.504,294 0.504,295 4.238,300 1,301 904,302 4.637,306 370.526,313 2.176,314 45.042,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 75,326 438,327 4.498,328 4.862,329 7.319,330 4.35,331 3.417,332 4.149,333 2.95,334 12.574,335 3.18,336 4.319,337 3.85,338 6.505,339 3.973,340 3.011,341 3.591,342 2.612,343 10.209,344 2.89,345 4.124,346 3.597,347 6.41,348 3.891,349 2.921,350 3.368,351 2.341,352 9.761,353 2.826,354 3.671,355 3.529,356 5.253,357 3.257,358 2.267,359 3.136,360 1.465,361 6.417,362 2.237,363 3.567,364 3.306,365 5.057,366 3.218,367 2.223,368 2.734,369 0.811,370 5.857,371 2.192,372 3.516,373 2.642,374 4.961,375 3.171,376 2.181,377 2.689,379 5.521,380 2.156,381 3.326,382 2.501,383 4.662,384 2.855,385 1.919,386 2.571,388 5.183,389 1.774,390 3.114,391 2.326,392 4.655,393 2.676,394 1.702,395 2.201,397 4.678,398 1.648,399 2.85,400 1.969,401 4.128,402 2.504,403 1.55,404 1.93,406 3.65,407 1.473,408 2.624,409 1.863,410 3.638,411 2.437,412 1.456,413 1.609,415 3.137,416 1.418,417 2.59,418 1.537,419 3.613,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.411,428 3.48,429 1.958,430 1,431 1.5,433 2.423,434 0.955,435 2.17,436 1.226,437 3.287,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.919,445 1.004,446 3.247,447 1.772,448 0.78,449 0.833,451 1.673,452 0.768,453 1.47,454 1,455 3.022,456 1.131,457 0.229,458 0.269,460 0.574,461 0.2,462 16.133,463 0.475,464 1.002,465 0.029,466 38.75,467 1.14,468 18,469 0.529,470 20.75,471 0.61,472 37.248,473 1.096,474 38.467,475 0.601,476 32.054,477 0.943,478 7.335,479 0.216,480 8.834,481 0.26,482 0.176,483 0.031,484 0.273,487 0.62,488 1.164,489 0.768,490 1.051,491 0.622,492 1.015,493 0.713,494 1.02,495 0.863,496 0.972,497 0.424,498 0.957,499 0.888,500 1.384,501 1.397,502 1.558,503 0.678,504 1.255,505 1.276,506 0.822,507 0.997,508 0.851,509 0.799,510 0.84,511 0.842,512 1.258,513 1.055,514 1.229,515 0.656,516 1.187,517 0.999,518 0.907,519 1.05,520 0.964,521 0.861,522 0.976,523 1.095,524 0.989,525 1.158,526 1.013,527 1.122,528 1.061,529 0.714,530 1.01,531 0.91,532 0.993,533 0.593,534 1.03,535 8,536 0.293,537 4.222,538 2.438,539 2.178,540 1.632,541 0.83,542 0.576,543 0.5,544 0.352,545 15410,546 49008,547 1.97,548 46.9,549 7,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.764,559 1.813,560 3.603,561 -0.334,567 103.187,568 1.612,569 3.76,570 5.041,571 5.433,572 5.496,573 5.496,574 3.131,575 4.352,576 5.051,577 3.828,578 2147.59,579 8.888,580 33126.3,585 384,586 1.627,587 4.992,588 0.222,589 0.008,590 0.084,591 0.047,592 0.042,593 0.03,594 0.016,595 0.012,596 0.012,597 0.009,598 0.482,599 0.17,600 0.88,601 1.608,602 182.404,603 0.087,604 0.025,605 0.06,606 0.039,607 -0.032,608 0.013,609 0.16,610 0.074,611 0.12,612 0.128,613 0.219,614 0.063,615 -0.044,616 -0.283,617 -0.145,618 -0.304,619 -0.034,620 -0.206,621 -0.141,622 0.135,623 0.059,624 0.152,625 -0.041,626 0.137,627 -0.061,628 -0.204,629 -0.105,630 -0.188,632 -0.173,633 -0.055,634 0.08,635 -0.04,636 0.017,637 -0.051,638 0.007,640 -0.029,641 -0.125,642 -0.006,643 -0.075,644 -0.079,645 -0.025,646 -0.024,647 -0.003,648 -0.039,649 -0.029,650 -0.021,651 2.487,652 4.584,653 0.529,654 41.896,655 1.01,656 1.125,657 3.627,658 13.156,659 0.657,660 3.611,661 3.932,662 4.127,663 4.357,664 4.605,665 4.663,666 4.762,667 4.787,668 4.875,669 4.977,670 7.646,671 0.623,672 486.64,673 3.611,674 5.153,675 5.979,676 6.855,677 7.71,678 8.594,679 9.463,680 10.352,681 11.229,682 12.121,683 3.1,693 1,694 1,699 7,700 1,704 4,706 12,718 1,724 64,726 16,727 1,728 36,730 66,731 25,733 11,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,753 14,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 30,773 7,774 1,775 9,776 1,779 2,784 1,785 6,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 3,840 34,845 1,846 4,848 2,849 1,850 3,852 1,862 9.4,864 1,865 1,866 2,868 2,869 18.75,870 12.1,871 7.486,872 3.751,874 2.117,875 1.282,876 0.899,877 9.119,878 9.612,879 3.85,880 4.369,881 4.754,882 5.22,883 5.698,884 5.73,885 5.964,886 6.024,887 6.195,888 6.503,889 0.889,890 52,891 12.647,893 5.378,894 7.983,895 23.751,897 19.328,899 2.483,900 84.417,904 341.362,905 167.268,906 22.456,908 140.575,910 32.22,911 135.048,912 481.937,913 22.456,914 32.146,915 12.196,916 66.693,917 131.066,918 28.773,919 11.771,920 338.268,921 50.747,922 341.362,923 157.504,924 140.575,925 32.22,927 258.964,928 150.226,929 72.747,930 0.36,931 56.766,932 58.97,933 41.408,934 32.22,935 341.362,936 163.031,937 167.268,940 341.722,941 56.004,942 116.574,944 157.36,945 341.362,946 163.031,947 167.268,949 0.581,950 0.317,951 0.165,952 0.096,953 21,954 11,955 0.152,956 10,958 1,959 4.322,960 307.14,962 18,963 166.974,964 1,968 26.207,969 11.831,970 7.296,972 157.36,973 12.512,974 4.233,978 2.396,980 42.683,981 671.66,982 46,985 -0.362,987 33.885,989 3.844,991 -0.821,994 64.614,995 71.986,996 0.269,997 0.627,998 0.84,999 0.906,1000 0.916,1001 0.916,1002 5.1,1003 1.702,1004 5.994,1005 5.183,1006 4.615,1007 5.056,1008 3.779,1009 6.825,1010 4.536,1011 6.298,1012 1.55,1013 7.575,1014 4.678,1015 4.369,1016 4.89,1017 2.946,1018 7.999,1019 4.236,1020 7.604,1021 1.456,1022 9.274,1023 3.65,1024 6.263,1025 7.12,1026 5.568,1027 11.039,1028 6.09,1029 8.94,1030 1,1031 11.046,1032 3.137,1033 6.825,1034 7.711,1035 5.015,1036 13.058,1037 6.577,1038 10.307,1039 1,1040 12.868,1041 2.477,1042 8.256,1043 9.485,1044 7.551,1045 15.703,1046 7.965,1047 11.696,1048 1,1049 14.725,1050 2.423,1051 9.176,1052 10.438,1053 6.969,1054 18.027,1055 8.801,1056 13.101,1057 0.78,1058 16.608,1059 2.136,1060 10.443,1061 12.023,1062 9.608,1063 20.564,1064 10.016,1065 3.417,1066 0.229,1067 18.509,1068 1.673,1069 11.521,1070 13.17,1071 8.883,1072 23.001,1073 11.011,1074 3.011,1075 12.574,1076 20.425,1077 0.574,1078 12.734,1079 14.667,1080 11.702,1081 25.512,1082 12.162,1083 2.921,1084 10.209,1085 22.353,1086 4.149,1087 13.881,1088 15.925,1089 10.78,1090 27.994,1091 13.228,1092 2.267,1093 9.761,1094 24.29,1095 3.591,1096 15.08,1097 17.377,1098 13.817,1099 30.505,1100 14.36,1101 2.223,1102 6.417,1103 26.233,1104 3.368,1105 16.258,1106 18.701,1107 12.672,1108 33.008,1109 15.459,1110 2.181,1111 5.857,1112 28.183,1113 3.136,1114 17.458,1115 20.132,1116 15.946,1117 35.523,1118 16.586,1119 1.919,1120 5.521,1121 30.138,1122 2.734,1123 18.652,1124 21.494,1125 14.565,1126 38.038,1127 17.702,1128 15381,1129 27565,1130 23.057,1131 42.046,1132 54.183,1133 57.479,1134 55.139,1135 53.413,1136 53.419,1137 66.725,1138 20.359,1139 152.794,1140 51.35,1141 5.498,1142 6.862,1143 7.121,1144 5.486,1145 5.417,1146 7.149,1147 5.9,1148 20.08,1149 5.18,1150 20.993,1151 1.505,1152 1.597,1153 1.532,1154 1.484,1155 1.484,1156 1.853,1157 0.566,1158 4.244,1159 1.426,1160 4.021,1161 4.042,1162 4.113,1163 3.938,1164 7.815,1165 3.922,1166 3.942,1167 3.971,1168 3.88,1169 3.833,1170 7.474,1171 3.836,1172 3.761,1173 3.805,1174 3.733,1175 3.647,1176 6.999,1177 3.641,1178 3.7,1179 3.734,1180 3.645,1181 3.586,1182 6.351,1183 3.562,1184 3.555,1185 3.601,1186 3.504,1187 3.415,1188 4.931,1189 3.406,1190 3.516,1191 3.546,1192 3.46,1193 3.138,1194 4.753,1195 3.194,1196 3.324,1197 3.353,1198 3.256,1199 3.106,1200 4.665,1201 3.131,1202 3.102,1203 3.175,1204 3.036,1205 2.93,1206 4.372,1207 2.927,1208 0.125,1209 0.135,1210 0.203,1211 0.121,1212 0.095,1213 4.498,1214 0.115,1215 4.862,1216 0.082,1217 7.319,1218 0.349,1219 4.35,1220 0.088,1221 3.417,1222 4.149,1223 2.95,1224 12.574,1225 3.18,1226 1.939,1227 1.921,1228 2.046,1229 2.076,1230 1.364,1231 2.059,1232 1.901,1233 1.872,1234 2.014,1235 2.044,1236 1.207,1237 2.033,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.135,1243 1.906,1244 1.671,1245 1.634,1246 1.867,1247 1.843,1248 1.084,1249 1.855,1250 1.538,1251 1.49,1252 1.77,1253 1.718,1254 0.935,1255 1.741,1256 1.288,1257 1.244,1258 1.521,1259 1.7,1260 0.648,1261 1.619,1262 1.252,1263 1.215,1264 1.494,1265 1.504,1266 0.604,1267 1.495,1268 1.078,1269 1.021,1270 1.417,1271 1.325,1272 0.469,1273 1.358,1274 4.29,1276 5.609,1278 7.116,1280 8.713,1282 10.363,1284 5.741,1289 8.804,1290 1.679,1292 12.598,1293 1.365,1294 -0.851,1296 -0.608,1300 39.894,1301 103.187,1302 240.668,1303 322.616,1304 347.735,1305 351.735,1306 351.735,1307 103.346,1308 7.496,1309 114.47,1310 139.77,1311 18,1312 12.652,1313 4.087,1314 3.459,1315 67.087,1316 153,1317 182,1318 0.212,1319 250.749,1320 451.67,1321 603.588,1322 17555,1324 24.717,1325 0.727,1326 0.599,1327 25.071,1328 20.364,1329 16.17,1330 0.449,1331 0.332,1332 11.063,1333 14.987,1334 10.629,1335 8.838,1336 16.55,1337 11.966,1338 15.143,1339 0.303,1340 0.211,1341 15.963,1342 10.538,1343 11.22,1344 0.184,1345 0.112,1346 12.012,1347 6.839,1348 9.012,1349 0.117,1350 0.065,1351 9.896,1352 4.977,1353 7.522,1354 0.076,1355 0.037,1356 8.391,1357 3.676,1358 0.333,1359 106.104,1360 0.208,1361 31.488,1362 0.582,1363 172,1364 570.978,1365 220.927,1366 556.189,1367 726.94,1368 514,1369 197,1370 493.887,1371 241.548,1372 508.319,1373 736.13,1374 473,1375 7.523} {0 CHEMBL159559,1 1.638,2 13.514,3 4.095,4 16.767,5 133.859,6 7.733,7 0.324,8 4.261,9 4.357,10 3.874,11 3.775,12 5.419,13 3.744,14 4.813,15 4.957,16 4.274,17 4.182,18 6.036,19 4.119,20 5.073,21 5.233,22 4.391,23 4.362,24 6.122,25 4.27,26 5.244,27 5.449,28 4.379,29 4.383,30 6.281,31 4.297,32 5.185,33 5.37,34 4.375,35 4.434,36 6.251,37 4.337,38 5.352,39 5.589,40 4.384,41 4.474,42 6.347,43 4.36,44 5.33,45 5.534,46 4.295,47 4.415,48 6.485,49 4.293,50 5.174,51 5.409,52 4.16,53 4.308,54 6.127,55 4.192,56 0.193,57 0.88,58 13.639,59 6.714,60 18.338,61 7.929,62 0.679,63 1.404,64 28.335,65 11.48,66 94.91,67 13.479,68 0.564,69 1.815,70 45.086,71 15.627,72 66.282,73 18.121,74 1.155,75 1.923,76 50.898,77 16.337,78 107.303,79 19.851,80 0.714,81 1.984,82 43.195,83 16.395,84 89.329,85 20.751,86 0.998,87 2.22,88 53.109,89 17.876,90 105.436,91 23.638,92 1.531,93 2.073,94 58.086,95 17.984,96 197.179,97 21.912,98 0.984,99 1.85,100 45.076,101 15.003,102 96.477,103 19.872,104 64,105 51,106 0.261,107 0.614,108 0.815,109 0.877,110 0.882,111 0.882,112 3.588,113 0.979,114 -4.39,115 -4.32,116 -4.07,118 38.5,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 5,141 1,142 3,143 2,154 1,162 2,163 1,167 1,168 8,169 1,171 2,172 9,175 1,177 1,180 11,181 1,186 16,191 1,194 8,195 1,197 2,198 11,203 1,206 7,207 1,209 2,210 12,215 1,218 14,219 1,221 3,222 13,227 1,229 9,230 1,233 4,234 9,239 1,242 11,246 2,247 3,248 2,255 11,256 1,258 2,259 9,262 2,264 1,267 10,268 1,270 2465,271 23.084,272 23.084,273 23.084,274 23.084,275 23.084,276 20.863,277 25.26,278 13.784,279 23.653,280 18.209,281 18.209,282 18.209,283 18.209,284 18.209,285 14.944,286 27.695,287 6.485,288 19.071,289 4.384,290 2.174,291 0.914,292 0.527,293 0.496,294 0.496,295 4.267,300 1,301 975,302 4.743,306 384.351,313 2.186,314 48.567,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,323 0.5,324 0.69,325 78,326 473,327 4.5,328 4.862,329 7.319,330 4.35,331 3.417,332 4.153,333 2.95,334 12.574,335 3.18,336 4.322,337 3.851,338 6.505,339 3.974,340 3.013,341 3.591,342 2.612,343 10.21,344 2.888,345 4.124,346 3.597,347 6.415,348 3.893,349 2.927,350 3.368,351 2.341,352 9.787,353 2.817,354 3.716,355 3.529,356 5.257,357 3.257,358 2.288,359 3.173,360 1.465,361 6.569,362 2.237,363 3.567,364 3.307,365 5.238,366 3.222,367 2.265,368 2.736,369 0.86,370 6.41,371 2.192,372 3.517,373 2.798,374 5.047,375 3.214,376 2.223,377 2.696,378 0.811,379 5.539,380 2.127,381 3.36,382 2.607,383 4.665,384 2.86,385 1.927,386 2.601,388 5.183,389 1.774,390 3.115,391 2.33,392 4.657,393 2.678,394 1.706,395 2.201,397 4.685,398 1.649,399 2.85,400 1.97,401 4.128,402 2.505,403 1.553,404 1.93,406 3.651,407 1.474,408 2.625,409 1.863,410 3.639,411 2.437,412 1.456,413 1.61,415 3.137,416 1.418,417 2.591,418 1.626,419 3.618,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.412,428 3.48,429 1.958,430 1,431 1.5,433 2.425,434 0.955,435 2.17,436 1.227,437 3.301,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.92,445 1.193,446 3.247,447 1.773,448 0.781,449 0.834,451 1.674,452 0.769,453 1.751,454 1,455 3.034,456 1.451,457 0.596,458 0.663,460 1.07,461 0.503,462 16.467,463 0.47,464 0.964,465 0.028,466 40.25,467 1.15,468 18.5,469 0.529,470 21.75,471 0.621,472 37.666,473 1.076,474 39.933,475 0.614,476 34.349,477 0.981,478 7.779,479 0.222,480 8.928,481 0.255,482 0.172,483 0.03,484 0.267,487 0.666,488 1.21,489 0.755,490 1.089,491 0.629,492 1.025,493 0.837,494 1.002,495 0.881,496 0.95,497 0.464,498 0.933,499 0.922,500 1.366,501 1.387,502 1.541,503 0.696,504 1.225,505 1.217,506 0.838,507 1.021,508 0.885,509 0.822,510 0.879,511 0.681,512 1.278,513 0.998,514 1.252,515 0.599,516 1.199,517 0.809,518 0.908,519 0.875,520 0.907,521 0.654,522 0.954,523 1.181,524 1.014,525 1.322,526 1.101,527 1.357,528 1.088,529 0.817,530 0.873,531 0.916,532 0.863,533 0.637,534 0.928,535 8,536 0.301,537 4.222,538 2.438,539 2.218,540 1.806,541 0.83,542 0.639,543 0.5,544 0.352,545 16675,546 55375,547 1.971,548 46.2,549 4,550 13,551 1,552 2,553 1,554 2,555 6,556 1,558 1.771,559 1.818,560 3.66,561 -0.316,567 106.499,568 1.638,569 3.848,570 5.109,571 5.495,572 5.526,573 5.526,574 3.25,575 4.765,576 5.092,577 3.873,578 2304.64,579 8.971,580 36333.2,585 391.454,586 1.608,587 5.037,588 0.216,589 0.008,590 0.083,591 0.045,592 0.041,593 0.032,594 0.015,595 0.013,596 0.011,597 0.008,598 0.472,599 0.17,600 0.63,601 1.647,602 189.655,603 0.064,604 -0.011,605 0.062,606 0.01,607 -0.031,609 0.092,610 0.092,611 0.104,612 0.15,613 0.201,614 0.078,615 -0.067,616 -0.256,617 -0.137,618 -0.275,619 -0.035,620 -0.176,621 -0.134,622 0.134,623 0.026,624 0.131,625 -0.056,626 0.104,627 0.065,628 -0.232,629 -0.059,630 -0.202,631 0.053,632 -0.172,633 -0.003,634 0.086,635 0.062,636 0.039,637 0.021,638 0.04,639 -0.062,640 -0.047,641 -0.194,642 -0.039,643 -0.14,644 -0.102,645 0.003,646 0.108,647 0.014,648 0.086,649 -0.031,650 0.069,651 2.494,652 4.645,653 0.514,654 44.155,655 1.014,656 1.126,657 3.156,658 9.961,659 0.654,660 3.638,661 3.951,662 4.159,663 4.382,664 4.635,665 4.718,666 4.804,667 4.852,668 4.905,669 5.004,670 7.844,671 0.625,672 502.64,673 3.638,674 5.176,675 6.004,676 6.878,677 7.735,678 8.618,679 9.488,680 10.378,681 11.255,682 12.148,683 3.1,693 1,694 1,699 7,700 1,704 4,706 12,718 1,722 1,724 65,726 16,727 1,728 37,730 67,731 25,733 11,734 3,735 3,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 30,773 8,774 1,775 10,776 1,779 2,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 3,840 35,845 1,846 4,848 3,849 1,850 3,852 1,862 10.8,864 1,865 1,866 2,867 1,868 2,869 19.25,870 12.267,871 7.819,872 3.71,874 2.111,875 1.279,876 0.893,877 9.695,878 9.674,879 3.871,880 4.382,881 4.779,882 5.244,883 5.727,884 5.811,885 6.031,886 6.117,887 6.222,888 6.523,889 1,890 54,891 13.007,893 5.514,894 8.012,895 24.285,897 19.572,899 2.512,900 87.917,904 341.362,905 171.383,906 22.456,908 151.575,910 32.22,911 139.164,912 492.937,913 22.456,914 34.204,915 12.196,916 66.693,917 131.066,918 41.831,919 11.771,920 338.268,921 50.747,922 341.362,923 161.62,924 151.575,925 32.22,927 258.964,928 161.226,929 72.747,930 0.36,931 47.941,932 71.911,933 41.408,934 32.22,935 341.362,936 174.03,937 171.383,940 341.722,941 58.062,942 118.632,944 168.36,945 341.362,946 174.03,947 171.383,949 0.577,950 0.321,951 0.165,952 0.096,953 21,954 11,955 0.164,956 11,958 1,959 4.399,960 319.176,962 18,963 175.525,964 1,968 27.151,969 12.498,970 7.518,972 168.36,973 12.048,974 4.23,978 1.793,980 42.683,981 686.776,982 47,985 -0.422,987 34.015,989 3.827,991 -0.827,994 65.942,995 73.195,996 0.272,997 0.639,998 0.848,999 0.912,1000 0.918,1001 0.918,1002 5.118,1003 1.706,1004 6.014,1005 5.183,1006 4.635,1007 5.069,1008 3.812,1009 6.845,1010 4.541,1011 6.311,1012 1.553,1013 7.594,1014 4.685,1015 4.369,1016 4.89,1017 2.946,1018 8.017,1019 4.219,1020 7.615,1021 1.456,1022 9.292,1023 3.651,1024 6.282,1025 7.131,1026 5.572,1027 11.055,1028 6.087,1029 8.951,1030 1,1031 11.064,1032 3.137,1033 6.836,1034 7.721,1035 5.015,1036 13.07,1037 6.565,1038 10.319,1039 1,1040 12.885,1041 2.477,1042 8.272,1043 9.497,1044 7.551,1045 15.713,1046 7.958,1047 11.708,1048 1,1049 14.74,1050 2.425,1051 9.187,1052 10.45,1053 6.969,1054 18.034,1055 8.791,1056 13.114,1057 0.781,1058 16.621,1059 2.136,1060 10.455,1061 12.035,1062 9.608,1063 20.569,1064 10.008,1065 3.417,1066 0.596,1067 18.521,1068 1.674,1069 11.531,1070 13.184,1071 8.883,1072 23.004,1073 11.001,1074 3.013,1075 12.574,1076 20.435,1077 1.07,1078 12.743,1079 14.679,1080 11.702,1081 25.515,1082 12.154,1083 2.927,1084 10.21,1085 22.361,1086 4.153,1087 13.888,1088 15.939,1089 10.78,1090 27.997,1091 13.219,1092 2.288,1093 9.787,1094 24.297,1095 3.591,1096 15.087,1097 17.391,1098 13.817,1099 30.507,1100 14.351,1101 2.265,1102 6.569,1103 26.239,1104 3.368,1105 16.265,1106 18.715,1107 12.672,1108 33.01,1109 15.45,1110 2.223,1111 6.41,1112 28.188,1113 3.173,1114 17.464,1115 20.147,1116 15.946,1117 35.524,1118 16.578,1119 1.927,1120 5.539,1121 30.142,1122 2.736,1123 18.657,1124 21.509,1125 14.565,1126 38.039,1127 17.694,1128 16667,1129 30526,1130 23.75,1131 42.5,1132 55.189,1133 58.578,1134 56.546,1135 54.516,1136 54.462,1137 67.737,1138 22.079,1139 155.415,1140 51.921,1141 5.5,1142 6.862,1143 7.121,1144 5.489,1145 5.417,1146 7.153,1147 5.9,1148 20.08,1149 5.18,1150 21.434,1151 1.492,1152 1.583,1153 1.528,1154 1.473,1155 1.472,1156 1.831,1157 0.597,1158 4.2,1159 1.403,1160 4.016,1161 4.034,1162 4.112,1163 3.921,1164 7.815,1165 3.908,1166 3.939,1167 3.965,1168 3.88,1169 3.828,1170 7.474,1171 3.831,1172 3.761,1173 3.804,1174 3.732,1175 3.646,1176 6.999,1177 3.641,1178 3.699,1179 3.733,1180 3.645,1181 3.576,1182 6.351,1183 3.558,1184 3.555,1185 3.6,1186 3.504,1187 3.413,1188 4.933,1189 3.404,1190 3.504,1191 3.522,1192 3.458,1193 3.117,1194 4.832,1195 3.161,1196 3.324,1197 3.353,1198 3.258,1199 3.068,1200 4.741,1201 3.131,1202 3.203,1203 3.27,1204 3.071,1205 2.932,1206 4.374,1207 2.941,1208 0.122,1209 0.131,1210 0.198,1211 0.118,1212 0.092,1213 4.5,1214 0.112,1215 4.862,1216 0.08,1217 7.319,1218 0.34,1219 4.35,1220 0.086,1221 3.417,1222 4.153,1223 2.95,1224 12.574,1225 3.18,1226 1.919,1227 1.903,1228 2.045,1229 2.07,1230 1.364,1231 2.052,1232 1.893,1233 1.867,1234 1.962,1235 2.042,1236 1.192,1237 2.019,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.13,1243 1.906,1244 1.666,1245 1.63,1246 1.862,1247 1.843,1248 1.034,1249 1.853,1250 1.537,1251 1.488,1252 1.77,1253 1.718,1254 0.935,1255 1.74,1256 1.254,1257 1.219,1258 1.566,1259 1.685,1260 0.647,1261 1.601,1262 1.243,1263 1.204,1264 1.494,1265 1.504,1266 0.574,1267 1.495,1268 1.127,1269 1.064,1270 1.417,1271 1.454,1272 0.469,1273 1.459,1274 4.317,1276 5.631,1278 7.136,1280 8.733,1282 10.383,1284 5.335,1289 8.811,1290 1.63,1292 17.728,1293 1.32,1294 -0.92,1296 -0.651,1300 40.609,1301 106.499,1302 250.121,1303 332.07,1304 357.189,1305 359.189,1306 359.189,1307 108.723,1308 7.563,1309 123.7,1310 149,1311 18,1312 12.678,1313 4.087,1314 3.459,1315 70.269,1316 161,1317 192,1318 0.21,1319 254.745,1320 460.46,1321 613.339,1322 19082,1324 25.424,1325 0.726,1326 0.594,1327 25.778,1328 20.773,1329 16.708,1330 0.452,1331 0.326,1332 11.134,1333 15.368,1334 10.727,1335 8.907,1336 17.088,1337 12.078,1338 15.312,1339 0.3,1340 0.204,1341 16.132,1342 10.4,1343 11.644,1344 0.185,1345 0.109,1346 12.436,1347 6.89,1348 9.254,1349 0.117,1350 0.063,1351 10.138,1352 4.974,1353 7.634,1354 0.075,1355 0.035,1356 8.471,1357 3.573,1358 0.33,1359 110.448,1360 0.205,1361 32.268,1362 0.575,1363 176,1364 618.714,1365 227.806,1366 593.633,1367 774.74,1368 550,1369 202,1370 524.433,1371 249.206,1372 537.139,1373 777.5,1374 499,1375 7.398} {0 CHEMBL159571,1 1.597,2 11.897,3 2.922,4 8.536,5 105.957,6 7.813,7 0.387,8 4.035,9 4.128,10 3.624,11 3.536,12 5.238,13 3.537,14 4.57,15 4.699,16 3.952,17 3.912,18 5.887,19 3.89,20 4.842,21 5.028,22 4.001,23 4.051,24 5.922,25 4,26 4.958,27 5.166,28 3.953,29 4.026,30 6.057,31 3.973,32 4.839,33 5.037,34 3.896,35 4.027,36 5.868,37 3.954,38 4.877,39 5.109,40 3.874,41 4.048,42 5.805,43 3.95,44 4.863,45 5.073,46 3.881,47 4.006,48 6.013,49 3.916,50 4.777,51 5.008,52 3.771,53 3.911,54 5.788,55 3.827,56 0.195,57 0.692,58 9.66,59 4.891,60 17.54,61 5.789,62 0.585,63 1.083,64 18.832,65 8.049,66 83.256,67 9.773,68 0.507,69 1.354,70 27.066,71 10.54,72 66.729,73 13.533,74 0.93,75 1.386,76 33.828,77 11.034,78 99.569,79 14.041,80 0.613,81 1.321,82 28.098,83 10.566,84 76.957,85 13.625,86 0.679,87 1.397,88 30.116,89 10.911,90 73.961,91 15.041,92 0.943,93 1.331,94 29.813,95 10.655,96 107.824,97 14.317,98 0.546,99 1.257,100 27.311,101 9.502,102 70.443,103 13.076,104 26,105 41,106 0.267,107 0.616,108 0.792,109 0.874,110 0.89,111 0.89,112 3.408,113 0.902,114 -4,115 -3.96,116 -3.75,118 41.2,120 3,121 1,124 1,126 1,127 1,133 2,140 6,141 2,142 1,143 2,154 1,162 2,163 1,167 1,168 11,169 1,171 2,172 10,175 1,177 1,180 10,181 1,186 15,191 1,194 7,195 1,197 1,198 15,203 1,206 7,207 1,210 7,215 1,218 10,219 1,221 3,222 6,227 1,229 13,230 1,233 4,234 6,239 1,242 12,247 5,248 2,255 9,256 1,258 2,259 8,262 2,264 1,267 6,268 1,270 1647,271 19.535,272 19.535,273 19.535,274 19.535,275 19.535,276 17.338,277 21.561,278 11.91,279 19.748,280 15.32,281 15.32,282 15.32,283 15.32,284 15.32,285 12.167,286 23.566,287 5.681,288 15.665,289 4.076,290 1.991,291 0.937,292 0.446,293 0.353,294 0.353,295 4.092,299 1,300 1,301 717,302 3.742,306 304.649,313 2.107,314 40.589,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 65,326 345,327 4.29,328 3.779,329 6.543,330 4.057,331 3.085,332 3.963,333 2.612,334 10.361,335 2.993,336 4.182,337 3.597,338 6.113,339 3.807,340 2.823,341 3.587,342 2.341,343 8.927,344 2.78,345 3.922,346 3.583,347 5.882,348 3.565,349 2.586,350 3.352,351 1.902,352 8.05,353 2.525,354 3.566,355 3.11,356 5.242,357 3.253,358 2.256,359 2.736,360 0.869,361 6.383,362 2.235,363 3.507,364 2.411,365 4.659,366 3.207,367 2.214,368 2.69,369 0.22,370 5.183,371 2.185,372 3.148,373 2.214,374 4.462,375 2.692,376 1.709,377 2.259,379 4.44,380 1.674,381 3.049,382 1.998,383 4.113,384 2.556,385 1.58,386 2.172,388 3.651,389 1.543,390 2.837,391 1.865,392 3.731,393 2.444,394 1.471,395 1.904,397 3.143,398 1.422,399 2.55,400 1.67,401 3.63,402 2.109,403 1.118,404 1.525,406 2.745,407 1.106,408 2.5,409 1.384,410 3.479,411 2,412 1,413 1.5,415 2.474,416 1,417 2.5,418 1.209,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1,428 3.247,429 1.912,430 1,431 1.136,433 2.136,434 0.903,435 1.922,436 1,437 3.052,438 1.767,439 0.772,440 0.835,442 1.661,443 0.764,444 1.327,445 1,446 2.627,447 1.056,448 0.09,449 0.104,451 0.208,452 0.085,453 1,454 0.742,455 2.531,456 0.62,457 -0.362,458 -0.404,460 -0.831,461 -0.351,462 13.3,463 0.459,464 0.63,465 0.022,466 35.75,467 1.233,468 17.5,469 0.603,470 18.25,471 0.629,472 23.85,473 0.822,474 32.3,475 0.633,476 28.332,477 0.977,478 7.277,479 0.251,480 6.764,481 0.233,482 0.1,484 0.293,487 0.627,488 1.175,489 0.728,490 1.107,491 0.609,492 0.98,493 0.747,494 1.158,495 0.933,496 1.146,497 0.444,498 1.1,499 0.863,500 1.18,501 0.954,502 1.196,503 0.662,504 1.117,505 1.236,506 0.852,507 1.067,508 0.891,509 0.836,510 0.929,511 0.931,512 1.053,513 1.016,514 1.07,515 0.688,516 1.073,517 0.611,518 0.899,519 0.903,520 0.963,521 0.441,522 1.001,523 0.668,524 0.996,525 0.96,526 1.004,527 0.626,528 1.055,529 0.763,530 1.038,531 0.926,532 1.018,533 0.675,534 1.009,535 5,536 0.19,537 3.111,538 1.375,539 1.027,540 1.021,541 0.565,542 0.243,543 0.299,544 0.301,545 10593,546 37177,547 2.033,548 43.1,549 4,550 11,551 1,552 2,553 1,554 2,556 1,558 1.722,559 1.912,560 3.525,561 -0.302,562 1,563 1,567 81.438,568 1.597,569 3.681,570 4.736,571 5.226,572 5.319,573 5.319,574 3.108,575 4.375,576 4.817,577 3.742,578 1519.2,579 8.414,580 21202.9,582 1,584 1,585 289.294,586 1.358,587 4.792,588 0.161,589 0.008,590 0.076,591 0.033,592 0.026,593 0.027,594 0.015,595 0.007,596 0.009,597 0.01,598 0.372,599 0.33,600 1,601 1.665,602 148.771,603 0.074,604 0.014,605 0.043,606 0.007,607 -0.026,608 0.006,609 0.128,610 -0.074,611 -0.071,612 -0.083,613 0.197,614 -0.12,615 -0.061,616 -0.173,617 -0.034,618 -0.167,619 -0.011,620 -0.106,621 -0.172,622 0.08,623 -0.051,624 0.079,625 -0.06,626 0.053,627 -0.104,628 -0.077,629 -0.074,630 -0.046,631 -0.047,632 -0.054,633 0.061,634 0.093,635 0.043,636 0.04,637 0.02,638 0.036,639 0.165,640 -0.037,641 0.005,642 0.003,643 0.071,644 -0.034,645 -0.04,646 -0.051,647 0.033,648 -0.03,649 -0.047,650 0.016,651 2.488,652 3.85,653 0.621,654 34.723,655 1.02,656 1.126,657 2.775,658 7.699,659 0.654,660 3.466,661 3.738,662 3.951,663 4.159,664 4.407,665 4.5,666 4.654,667 4.71,668 4.836,669 4.942,670 7.174,671 0.639,672 398.45,673 3.466,674 4.977,675 5.796,676 6.645,677 7.489,678 8.349,679 9.206,680 10.073,681 10.939,682 11.81,683 3.9,693 1,694 1,699 8,700 1,704 3,706 12,718 1,724 51,726 16,727 1,728 31,730 53,731 21,733 11,734 2,735 4,739 3,740 3,748 1,749 1,751 4,753 14,754 7,755 1,756 4,759 1,761 3,763 2,765 1,769 1,772 22,773 7,774 1,775 8,779 2,784 1,785 6,795 1,802 3,818 1,822 2,830 1,831 2,832 3,840 29,845 1,846 4,848 2,850 3,862 11.8,864 1,865 1,866 2,868 2,869 15.167,870 8.767,871 6.528,872 2.967,874 2.122,875 1.293,876 0.917,877 7.336,878 9.367,879 3.738,880 4.234,881 4.644,882 5.088,883 5.571,884 5.701,885 6.021,886 6.102,887 6.431,888 6.809,889 1,890 42,891 10.731,893 4.562,894 8.109,895 19.929,897 16.079,899 2.609,900 75.667,903 1,904 247.193,905 116.498,906 22.456,908 140.575,911 116.498,912 387.768,913 22.456,914 5.67,915 12.196,916 76.17,917 131.066,918 27.223,919 11.771,920 211.88,921 50.747,922 247.193,923 138.954,924 140.575,927 235.422,928 79.599,929 72.747,930 0.36,931 30.291,932 66.895,933 41.408,935 247.193,936 163.031,937 116.498,940 247.553,941 22.234,942 99.575,944 157.36,945 247.193,946 163.031,947 116.498,949 0.568,950 0.313,951 0.16,952 0.089,953 17,954 8,955 0.151,956 8,958 1,959 4.088,960 240.401,962 18,963 134.881,968 20.968,969 10.147,970 5.861,972 157.36,973 13.356,974 4.173,978 1.643,980 42.683,981 526.722,982 41,985 -0.447,987 32.312,989 3.812,991 -0.821,994 52.003,995 57.405,996 0.282,997 0.649,998 0.835,999 0.921,1000 0.938,1001 0.938,1002 4.949,1003 1.471,1004 5.753,1005 3.651,1006 4.419,1007 4.92,1008 3.357,1009 6.506,1010 4.374,1011 6.113,1012 1.118,1013 7.276,1014 3.143,1015 3.892,1016 4.559,1017 3.093,1018 7.338,1019 3.836,1020 7.383,1021 1,1022 8.904,1023 2.745,1024 5.948,1025 6.952,1026 4.788,1027 10.411,1028 5.859,1029 8.684,1030 1,1031 10.597,1032 2.474,1033 6.256,1034 7.402,1035 5.122,1036 12.109,1037 6.149,1038 10.015,1039 1,1040 12.333,1041 2.275,1042 7.765,1043 9.276,1044 6.434,1045 14.685,1046 7.628,1047 11.368,1048 0.772,1049 14.098,1050 2.136,1051 8.471,1052 10.117,1053 7.037,1054 16.731,1055 8.309,1056 12.737,1057 0.09,1058 15.883,1059 1.661,1060 9.744,1061 11.758,1062 8.178,1063 19.135,1064 9.553,1065 3.085,1066 -0.362,1067 17.684,1068 0.208,1069 10.649,1070 12.809,1071 8.922,1072 21.331,1073 10.43,1074 2.823,1075 10.361,1076 19.495,1077 -0.831,1078 11.818,1079 14.329,1080 9.978,1081 23.675,1082 11.57,1083 2.586,1084 8.927,1085 21.315,1086 3.963,1087 12.823,1088 15.501,1089 10.803,1090 25.938,1091 12.545,1092 2.256,1093 8.05,1094 23.142,1095 3.587,1096 13.948,1097 16.953,1098 11.812,1099 28.263,1100 13.642,1101 2.214,1102 6.383,1103 24.975,1104 3.352,1105 15.004,1106 18.198,1107 12.685,1108 30.558,1109 14.666,1110 1.709,1111 5.183,1112 26.812,1113 2.736,1114 16.114,1115 19.612,1116 13.669,1117 32.88,1118 15.747,1119 1.58,1120 4.44,1121 28.652,1122 2.69,1123 17.195,1124 20.902,1125 14.572,1126 35.191,1127 16.796,1128 10521,1129 19837,1130 20.572,1131 33.352,1132 45.909,1133 47.094,1134 46.361,1135 45.398,1136 45.406,1137 58.523,1138 15.888,1139 123.273,1140 44.341,1141 5.29,1142 5.779,1143 6.345,1144 5.129,1145 5.085,1146 6.963,1147 4.612,1148 17.11,1149 4.993,1150 14.985,1151 1.481,1152 1.519,1153 1.496,1154 1.464,1155 1.465,1156 1.888,1157 0.513,1158 3.977,1159 1.43,1160 4.025,1161 4.048,1162 3.977,1163 3.903,1164 7.815,1165 3.912,1166 3.914,1167 3.947,1168 3.856,1169 3.805,1170 7.474,1171 3.809,1172 3.756,1173 3.8,1174 3.655,1175 3.643,1176 6.999,1177 3.636,1178 3.644,1179 3.673,1180 3.57,1181 3.445,1182 6.351,1183 3.457,1184 3.501,1185 3.525,1186 3.438,1187 3.186,1188 4.94,1189 3.238,1190 3.33,1191 3.353,1192 3.24,1193 3.056,1194 4.803,1195 3.103,1196 3.006,1197 3.04,1198 2.879,1199 2.795,1200 4.559,1201 2.791,1202 2.962,1203 3.013,1204 2.826,1205 2.735,1206 4.366,1207 2.734,1208 0.138,1209 0.122,1210 0.211,1211 0.131,1212 0.1,1213 4.29,1214 0.128,1215 3.779,1216 0.084,1217 6.543,1218 0.334,1219 4.057,1220 0.097,1221 3.085,1222 3.963,1223 2.612,1224 10.361,1225 2.993,1226 1.944,1227 1.922,1228 2.059,1229 2.101,1230 1.36,1231 2.076,1232 1.878,1233 1.846,1234 1.999,1235 2.021,1236 1.146,1237 2.008,1238 1.748,1239 1.704,1240 1.926,1241 1.893,1242 1.113,1243 1.906,1244 1.574,1245 1.534,1246 1.784,1247 1.8,1248 0.935,1249 1.783,1250 1.318,1251 1.292,1252 1.513,1253 1.664,1254 0.662,1255 1.594,1256 1.192,1257 1.161,1258 1.322,1259 1.502,1260 0.471,1261 1.47,1262 0.94,1263 0.888,1264 1.215,1265 1.227,1266 0.397,1267 1.203,1268 0.886,1269 0.829,1270 1.181,1271 1.164,1272 0.272,1273 1.179,1274 4.143,1276 5.425,1278 6.901,1280 8.467,1282 10.085,1289 8.719,1290 1.686,1292 12.09,1294 -0.857,1300 32.6,1301 81.438,1302 187.756,1303 241.519,1304 266.539,1305 271.294,1306 271.294,1307 71.159,1308 7.246,1309 114.47,1310 114.47,1311 18,1312 12.354,1313 4.087,1314 3.459,1315 52.329,1316 117,1317 142,1318 0.208,1319 201.249,1320 363.96,1321 482.807,1322 12565,1324 20.64,1325 0.712,1326 0.542,1327 20.64,1328 15.717,1329 14.042,1330 0.453,1331 0.301,1332 9.167,1333 13.338,1334 9.039,1335 7.452,1336 14.042,1337 9.325,1338 12.346,1339 0.301,1340 0.165,1341 12.346,1342 6.757,1343 9.626,1344 0.189,1345 0.092,1346 9.626,1347 4.679,1348 7.647,1349 0.121,1350 0.051,1351 7.647,1352 3.192,1353 6.212,1354 0.077,1355 0.027,1356 6.212,1357 2.225,1358 0.329,1359 89.528,1360 0.22,1361 27.84,1362 0.568,1363 144,1364 526.118,1365 163.964,1366 489.274,1367 634.55,1368 452,1369 164,1370 440.144,1371 182.946,1372 434.629,1373 628.48,1374 406,1375 7.409} {0 CHEMBL159699,1 1.52,2 11.75,3 2.906,4 8.446,5 104.37,6 7.569,7 0.4,8 3.998,9 4.093,10 3.566,11 3.549,12 5.171,13 3.535,14 4.533,15 4.669,16 3.88,17 3.917,18 5.704,19 3.875,20 4.814,21 5.005,22 3.937,23 4.06,24 5.841,25 3.986,26 4.913,27 5.131,28 3.885,29 4.024,30 5.943,31 3.948,32 4.803,33 5.01,34 3.857,35 4.024,36 5.784,37 3.939,38 4.861,39 5.095,40 3.832,41 4.052,42 5.785,43 3.944,44 4.818,45 5.044,46 3.785,47 4.013,48 5.846,49 3.903,50 4.745,51 4.982,52 3.69,53 3.924,54 5.726,55 3.812,56 0.048,57 0.656,58 9.647,59 4.838,60 16.955,61 5.819,62 0.384,63 1.05,64 18.66,65 7.981,66 51.842,67 9.83,68 0.29,69 1.343,70 26.641,71 10.729,72 58.91,73 13.807,74 0.614,75 1.405,76 32.137,77 11.088,78 80.594,79 14.231,80 0.355,81 1.327,82 27.1,83 10.437,84 57.305,85 13.627,86 0.416,87 1.409,88 29.601,89 11.144,90 62.236,91 15.139,92 0.456,93 1.339,94 28.219,95 10.751,96 75.242,97 14.45,98 0.332,99 1.257,100 26.39,101 9.889,102 57.056,103 13.489,104 19,105 39,106 0.255,107 0.614,108 0.794,109 0.878,110 0.894,111 0.894,112 3.374,113 0.921,114 -3.56,115 -3.53,116 -3.37,118 44,120 3,121 1,124 1,126 1,127 1,133 2,140 6,141 3,143 2,154 2,163 1,167 1,168 13,169 1,171 1,172 9,175 1,177 1,180 12,181 1,186 11,191 1,194 8,195 1,197 1,198 12,203 1,206 7,207 1,210 8,215 1,218 10,219 1,221 1,222 6,227 1,229 13,230 1,233 2,234 6,239 1,242 14,247 3,248 2,255 11,256 1,258 2,259 5,262 2,264 1,267 8,268 1,270 1510,271 19.198,272 19.198,273 19.198,274 19.198,275 19.198,276 17.214,277 19.933,278 11.773,279 19.365,280 14.78,281 14.78,282 14.78,283 14.78,284 14.78,285 11.836,286 20.767,287 5.561,288 15.065,289 4.124,290 1.991,291 0.915,292 0.415,293 0.32,294 0.32,295 4.061,298 1,299 1,300 1,301 686,302 3.464,306 291.194,313 2.036,314 31.417,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 329,327 4.237,328 4.057,329 6.543,330 4.055,331 3.084,332 3.738,333 2.341,334 10.361,335 2.991,336 4.109,337 3.597,338 6.096,339 3.763,340 2.766,341 3.576,342 2.035,343 8.887,344 2.755,345 3.807,346 3.585,347 5.299,348 3.377,349 2.385,350 3.047,351 1.902,352 6.772,353 2.365,354 3.565,355 3.113,356 5.238,357 3.251,358 2.25,359 2.73,360 0.869,361 6.374,362 2.234,363 3.499,364 2.477,365 4.659,366 3.199,367 2.207,368 2.665,369 0.22,370 5.183,371 2.18,372 3.136,373 2.373,374 4.4,375 2.655,376 1.676,377 2.203,379 4.266,380 1.637,381 3.041,382 2.041,383 4.1,384 2.465,385 1.509,386 1.947,388 3.611,389 1.439,390 2.839,391 1.868,392 3.633,393 2.42,394 1.428,395 1.709,397 3.134,398 1.411,399 2.574,400 1.771,401 3.48,402 2,403 1,404 1.5,406 2.476,407 1,408 2.5,409 1.394,410 3.414,411 1.958,412 1,413 1.5,415 2.275,416 0.955,417 2.5,418 1.215,419 3.247,420 1.913,421 1,422 1.138,424 2.136,425 0.903,426 2.17,427 1,428 3.067,429 1.782,430 0.791,431 0.987,433 1.682,434 0.778,435 1.923,436 1,437 2.817,438 1.454,439 0.504,440 0.814,442 0.797,443 0.477,444 1.335,445 0.747,446 2.558,447 1.041,448 0.075,449 0.088,451 0.166,452 0.071,453 0.981,454 0.426,455 2.455,456 0.591,457 -0.384,458 -0.429,460 -0.81,461 -0.37,462 13.133,463 0.469,464 0.503,465 0.018,466 34.75,467 1.241,468 17.5,469 0.625,470 17.25,471 0.616,472 23.097,473 0.825,474 30.067,475 0.601,476 25.976,477 0.928,478 6.966,479 0.249,480 6.703,481 0.239,482 0.081,484 0.266,487 0.802,488 1.163,489 0.775,490 1.093,491 0.655,492 0.959,493 0.897,494 1.078,495 0.993,496 1.095,497 0.507,498 1.07,499 0.977,500 1.14,501 0.997,502 1.158,503 0.778,504 1.1,505 1.361,506 0.859,507 1.074,508 0.881,509 0.848,510 0.92,511 1.005,512 1.031,513 1.021,514 1.044,515 0.664,516 1.04,517 0.794,518 0.923,519 0.947,520 0.962,521 0.518,522 0.98,523 0.822,524 0.948,525 0.997,526 0.993,527 0.697,528 1.03,529 0.816,530 1.011,531 0.961,532 0.998,533 0.758,534 1.006,535 4.5,536 0.14,537 2.667,538 1.125,539 0.987,540 0.958,541 0.483,542 0.212,543 0.287,544 0.225,545 9656,546 30452,547 2.055,548 44,549 4,550 11,551 1,552 2,553 1,554 2,556 1,558 1.713,559 1.953,560 3.509,561 -0.358,562 1,563 1,567 75.978,568 1.52,569 3.653,570 4.728,571 5.229,572 5.324,573 5.324,574 3.111,575 4.093,576 4.766,577 3.7,578 1398.74,579 8.314,580 18963.3,582 1,584 1,585 282.193,586 1.255,587 4.752,588 0.15,589 0.006,590 0.068,591 0.028,592 0.027,593 0.026,594 0.013,595 0.006,596 0.009,597 0.008,598 0.343,599 0.33,600 1,601 1.647,602 141.827,603 -0.047,604 -0.063,605 0.032,606 -0.024,607 -0.023,608 0.012,609 0.1,610 -0.042,611 -0.097,612 -0.069,613 0.109,614 -0.111,615 -0.063,616 -0.169,617 -0.052,618 -0.148,619 -0.044,620 -0.107,621 -0.156,622 0.079,623 -0.044,624 0.085,625 -0.062,626 0.048,627 -0.097,628 -0.06,629 -0.06,630 -0.047,631 -0.032,632 -0.047,633 -0.01,634 0.042,635 0.023,636 0.029,637 0.014,638 0.032,639 0.008,640 0.01,641 -0.029,642 0.003,643 0.009,644 -0.021,645 -0.046,646 -0.05,647 0.01,648 -0.008,649 -0.069,650 0.008,651 2.465,652 3.614,653 0.643,654 32.638,655 1.007,656 1.12,657 2.327,658 5.417,659 0.669,660 3.434,661 3.689,662 3.912,663 4.127,664 4.382,665 4.454,666 4.595,667 4.673,668 4.787,669 4.852,670 6.965,671 0.643,672 378.46,673 3.434,674 4.934,675 5.753,676 6.597,677 7.44,678 8.297,679 9.153,680 10.019,681 10.883,682 11.753,683 4,692 1,693 1,699 8,700 1,704 3,706 12,707 1,724 50,726 15,727 1,728 30,730 52,731 22,733 11,734 2,735 4,739 3,740 3,748 1,749 1,751 4,752 1,753 14,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,840 28,845 1,846 4,848 2,850 3,853 1,858 1,860 1,862 8,864 1,865 1,866 2,869 14.333,870 8.683,871 6.417,872 2.962,874 2.126,875 1.297,876 0.925,877 7.055,878 9.289,879 3.714,880 4.159,881 4.615,882 5.059,883 5.545,884 5.643,885 5.949,886 6.071,887 6.398,888 6.756,889 1,890 40,891 10.336,893 4.326,894 7.935,895 19.507,897 15.745,899 2.435,900 68.167,903 1,904 247.193,905 133.529,906 47.845,908 89.828,911 133.529,912 337.021,913 47.845,915 12.196,916 76.17,917 147.667,918 58.711,919 11.771,920 211.88,922 247.193,923 181.374,924 89.828,927 235.422,928 79.599,929 22,930 0.36,931 61.35,932 83.926,933 35.738,935 247.193,936 137.673,937 133.529,940 247.553,941 22.663,942 93.905,943 16.602,944 137.673,945 247.193,946 137.673,947 133.529,949 0.559,950 0.313,951 0.164,952 0.093,953 16,954 7,955 0.135,956 7,958 1,959 4.033,960 228.501,962 18,963 130.606,968 19.917,969 9.917,970 5.583,972 137.673,973 14.571,974 4.204,978 2.435,980 42.683,981 518.395,982 40,987 10.614,989 3.882,991 -0.799,994 50.349,995 55.986,996 0.269,997 0.647,998 0.838,999 0.926,1000 0.943,1001 0.943,1002 4.927,1003 1.428,1004 5.694,1005 3.611,1006 4.369,1007 4.844,1008 3.25,1009 6.435,1010 4.33,1011 6.083,1012 1,1013 7.204,1014 3.134,1015 3.761,1016 4.27,1017 2.521,1018 7.235,1019 3.727,1020 7.341,1021 1,1022 8.819,1023 2.476,1024 5.883,1025 6.828,1026 4.518,1027 10.317,1028 5.81,1029 8.625,1030 1,1031 10.5,1032 2.275,1033 6.133,1034 7.07,1035 4.358,1036 12.007,1037 6.055,1038 9.94,1039 0.791,1040 12.225,1041 2.136,1042 7.678,1043 9.077,1044 5.948,1045 14.591,1046 7.565,1047 11.274,1048 0.504,1049 13.981,1050 1.682,1051 8.35,1052 9.727,1053 6.075,1054 16.643,1055 8.22,1056 12.626,1057 0.075,1058 15.761,1059 0.797,1060 9.641,1061 11.465,1062 7.453,1063 19.056,1064 9.48,1065 3.084,1066 -0.384,1067 17.557,1068 0.166,1069 10.53,1070 12.35,1071 7.759,1072 21.262,1073 10.344,1074 2.766,1075 10.361,1076 19.367,1077 -0.81,1078 11.709,1079 13.933,1080 9.005,1081 23.615,1082 11.493,1083 2.385,1084 8.887,1085 21.187,1086 3.738,1087 12.708,1088 14.963,1089 9.435,1090 25.887,1091 12.462,1092 2.25,1093 6.772,1094 23.016,1095 3.576,1096 13.841,1097 16.45,1098 10.59,1099 28.22,1100 13.565,1101 2.207,1102 6.374,1103 24.851,1104 3.047,1105 14.897,1106 17.574,1107 11.114,1108 30.521,1109 14.588,1110 1.676,1111 5.183,1112 26.691,1113 2.73,1114 16.013,1115 18.999,1116 12.201,1117 32.849,1118 15.673,1119 1.509,1120 4.266,1121 28.536,1122 2.665,1123 17.097,1124 20.184,1125 12.798,1126 35.166,1127 16.724,1128 9565,1129 17056,1130 20.167,1131 33.443,1132 45.133,1133 46.615,1134 44.385,1135 43.32,1136 43.351,1137 55.286,1138 14.733,1139 116.237,1140 42.394,1141 5.237,1142 6.057,1143 6.345,1144 5.127,1145 5.084,1146 6.738,1147 4.376,1148 17.109,1149 4.991,1150 12.79,1151 1.504,1152 1.554,1153 1.48,1154 1.444,1155 1.445,1156 1.843,1157 0.491,1158 3.875,1159 1.413,1160 3.999,1161 4.023,1162 3.937,1163 3.904,1164 7.474,1165 3.907,1166 3.88,1167 3.912,1168 3.821,1169 3.807,1170 6.82,1171 3.806,1172 3.755,1173 3.799,1174 3.65,1175 3.643,1176 6.351,1177 3.636,1178 3.622,1179 3.656,1180 3.526,1181 3.445,1182 4.94,1183 3.454,1184 3.388,1185 3.409,1186 3.31,1187 3.187,1188 4.803,1189 3.21,1190 3.209,1191 3.25,1192 3.146,1193 3.055,1194 4.559,1195 3.07,1196 2.965,1197 3.015,1198 2.828,1199 2.795,1200 4.366,1201 2.791,1202 2.946,1203 2.996,1204 2.82,1205 2.735,1206 4.066,1207 2.715,1208 0.141,1209 0.135,1210 0.218,1211 0.135,1212 0.103,1213 4.237,1214 0.125,1215 4.057,1216 0.078,1217 6.543,1218 0.345,1219 4.055,1220 0.1,1221 3.084,1222 3.738,1223 2.341,1224 10.361,1225 2.991,1226 1.94,1227 1.918,1228 2.057,1229 2.064,1230 1.36,1231 2.06,1232 1.875,1233 1.844,1234 1.995,1235 1.966,1236 1.144,1237 1.976,1238 1.748,1239 1.704,1240 1.925,1241 1.892,1242 1.107,1243 1.906,1244 1.573,1245 1.532,1246 1.784,1247 1.774,1248 0.935,1249 1.774,1250 1.302,1251 1.274,1252 1.51,1253 1.544,1254 0.66,1255 1.526,1256 1.153,1257 1.117,1258 1.294,1259 1.339,1260 0.456,1261 1.323,1262 0.94,1263 0.888,1264 1.215,1265 1.172,1266 0.397,1267 1.179,1268 0.886,1269 0.821,1270 1.181,1271 1.164,1272 0.271,1273 1.157,1274 4.111,1276 5.38,1278 6.849,1280 8.411,1282 10.026,1289 8.724,1290 1.864,1292 12.21,1294 -0.6,1298 8.957,1299 2.105,1300 32.17,1301 75.978,1302 182.655,1303 236.418,1304 261.438,1305 266.193,1306 266.193,1307 59.521,1308 7.162,1309 92.44,1310 92.44,1311 18,1312 12.298,1313 4,1314 3.459,1315 49.538,1316 109,1317 134,1318 0.211,1319 199.921,1320 361.04,1321 479.568,1322 11330,1324 19.769,1325 0.706,1326 0.55,1327 19.769,1328 15.4,1329 13.669,1330 0.456,1331 0.307,1332 9.088,1333 13.17,1334 8.927,1335 7.375,1336 13.669,1337 9.209,1338 11.616,1339 0.298,1340 0.17,1341 11.616,1342 6.642,1343 9.336,1344 0.191,1345 0.094,1346 9.336,1347 4.615,1348 7.432,1349 0.122,1350 0.052,1351 7.432,1352 3.154,1353 6.118,1354 0.077,1355 0.028,1356 6.118,1357 2.212,1358 0.332,1359 85.747,1360 0.223,1361 27.025,1362 0.576,1363 138,1364 446.647,1365 152.481,1366 425.041,1367 558.65,1368 396,1369 157,1370 382.188,1371 170.793,1372 386.525,1373 559.24,1374 362,1375 7.62} {0 CHEMBL159737,1 1.571,2 13.588,3 3.185,4 10.141,5 127.382,6 7.533,7 0.333,8 4.255,9 4.344,10 3.933,11 3.79,12 5.327,13 3.747,14 4.831,15 4.971,16 4.229,17 4.154,18 6.092,19 4.109,20 5.128,21 5.293,22 4.275,23 4.306,24 6.247,25 4.24,26 5.24,27 5.453,28 4.197,29 4.329,30 6.261,31 4.245,32 5.165,33 5.365,34 4.189,35 4.363,36 6.144,37 4.262,38 5.298,39 5.552,40 4.173,41 4.369,42 6.211,43 4.243,44 5.184,45 5.406,46 4.15,47 4.332,48 6.095,49 4.206,50 5.176,51 5.41,52 4.186,53 4.323,54 6.138,55 4.198,56 0.122,57 0.871,58 16.422,59 7.228,60 26.04,61 8.277,62 0.605,63 1.387,64 30.287,65 11.622,66 95.864,67 13.874,68 0.91,69 1.725,70 41.01,71 14.561,72 107.625,73 17.598,74 1.06,75 1.847,76 47.995,77 15.696,78 118.11,79 19.804,80 0.543,81 1.858,82 39.892,83 15.453,84 80.338,85 20.405,86 0.97,87 2.011,88 49.176,89 16.907,90 110.245,91 23.393,92 0.784,93 1.843,94 43.712,95 15.714,96 92.848,97 20.435,98 0.671,99 1.88,100 50.129,101 16.264,102 92.278,103 20.925,104 59,105 51,106 0.251,107 0.593,108 0.796,109 0.857,110 0.862,111 0.862,112 3.56,113 1.082,114 -3.42,115 -3.4,116 -3.25,118 38.5,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 2,172 10,175 1,177 1,180 9,181 1,185 2,186 15,191 1,194 7,195 1,197 1,198 10,203 1,206 9,207 1,210 11,215 1,218 12,219 1,221 3,222 11,227 1,229 7,230 1,233 1,234 8,239 1,242 11,247 6,248 2,255 12,256 1,258 6,259 5,262 2,264 1,267 11,268 1,270 2344,271 21.979,272 21.979,273 21.979,274 21.979,275 21.979,276 19.761,277 23.899,278 13.037,279 22.504,280 17.794,281 17.794,282 17.794,283 17.794,284 17.794,285 14.535,286 28.091,287 6.23,288 18.715,289 4.451,290 2.307,291 1.035,292 0.65,293 0.619,294 0.619,295 4.237,300 1,301 954,302 4.899,306 379.735,313 2.329,314 50.406,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 75.5,326 462,327 4.801,328 5.18,329 7.315,330 4.361,331 3.409,332 4.66,333 2.95,334 12.546,335 3.242,336 4.424,337 3.802,338 7.111,339 4.176,340 3.311,341 3.601,342 2.341,343 11.657,344 2.89,345 4.139,346 3.597,347 6.5,348 3.953,349 2.983,350 3.525,351 1.465,352 10.191,353 2.833,354 3.814,355 3.333,356 5.401,357 3.368,358 2.411,359 3.23,360 0.86,361 6.99,362 2.287,363 3.566,364 2.786,365 5.244,366 3.255,367 2.262,368 2.732,369 0.811,370 6.398,371 2.236,372 3.509,373 2.579,374 4.789,375 3.214,376 2.221,377 2.673,379 5.185,380 2.19,381 3.126,382 2.398,383 4.659,384 2.723,385 1.752,386 2.286,388 5.058,389 1.692,390 3.074,391 2.197,392 4.54,393 2.579,394 1.615,395 2.198,397 4.536,398 1.548,399 2.849,400 1.937,401 4.127,402 2.474,403 1.52,404 1.927,406 3.651,407 1.443,408 2.599,409 1.861,410 3.637,411 2.433,412 1.449,413 1.591,415 3.137,416 1.416,417 2.5,418 1.405,419 3.48,420 2,421 1,422 1.5,424 2.477,425 1,426 2.5,427 1.219,428 3.414,429 1.958,430 1,431 1.5,433 2.275,434 0.955,435 2.169,436 1,437 3.279,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.918,445 1,446 3.247,447 1.772,448 0.779,449 0.832,451 1.671,452 0.769,453 1.31,454 0.999,455 3.024,456 1.043,457 0.087,458 0.1,460 0.213,461 0.082,462 16.067,463 0.473,464 1.113,465 0.033,466 39,467 1.147,468 18,469 0.529,470 21,471 0.618,472 35.529,473 1.045,474 39.133,475 0.602,476 33.134,477 0.975,478 7.441,479 0.219,480 8.618,481 0.253,482 0.176,483 0.083,484 0.218,487 0.705,488 1.319,489 0.855,490 1.297,491 0.728,492 1.067,493 0.864,494 1.15,495 0.985,496 1.149,497 0.542,498 1.013,499 1.268,500 1.105,501 1.087,502 1.07,503 1.034,504 1.104,505 1.32,506 0.816,507 0.988,508 0.803,509 0.844,510 0.889,511 0.816,512 1.218,513 0.867,514 1.12,515 0.63,516 1.198,517 0.683,518 0.882,519 0.708,520 0.811,521 0.366,522 0.906,523 0.946,524 0.987,525 0.913,526 0.917,527 0.59,528 1.031,529 0.761,530 1.049,531 1.101,532 1.162,533 0.654,534 1.001,535 9,536 0.26,537 4.444,538 2.375,539 1.787,540 1.472,541 0.708,542 0.748,543 0.48,544 0.261,545 16130,546 52132,547 1.963,548 47.7,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.762,559 1.805,560 3.678,561 -0.334,563 1,567 102.126,568 1.571,569 3.716,570 4.987,571 5.372,572 5.403,573 5.403,574 3.223,575 4.057,576 5.048,577 3.919,578 2198.52,579 8.873,580 34535.5,585 391.454,586 1.665,587 4.985,588 0.25,589 0.007,590 0.087,591 0.047,592 0.036,593 0.031,594 0.015,595 0.017,596 0.01,597 0.007,598 0.507,599 0.33,600 0.88,601 1.608,602 183.83,603 0.014,604 -0.094,605 0.166,606 -0.05,607 -0.124,608 0.01,609 0.122,610 -0.05,611 0.011,612 -0.058,613 0.226,614 -0.005,615 -0.106,616 -0.096,617 -0.15,618 -0.09,619 -0.105,620 -0.138,621 -0.19,622 0.13,623 -0.07,624 0.108,625 -0.072,626 0.067,627 -0.051,628 -0.217,629 -0.093,630 -0.197,631 -0.039,632 -0.193,633 0.089,634 0.056,635 0.112,636 0.056,637 0.09,638 0.083,639 -0.086,640 -0.012,641 -0.031,642 0.022,643 -0.057,644 -0.038,645 -0.015,646 -0.023,647 -0.012,648 -0.087,649 0.005,650 0.025,651 4.206,652 4.703,653 0.529,654 45.114,655 1.011,656 1.125,657 2.192,658 4.803,659 0.65,660 3.611,661 3.951,662 4.111,663 4.304,664 4.533,665 4.635,666 4.754,667 4.852,668 4.836,669 4.868,670 8.049,671 0.617,672 489.64,673 3.611,674 5.165,675 5.984,676 6.864,677 7.709,678 8.595,679 9.453,680 10.343,681 11.209,682 12.102,683 1.5,693 1,699 8,700 1,704 3,706 12,722 1,724 65,726 16,727 1,728 36,730 67,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 4,760 1,761 3,763 2,765 1,772 31,773 8,774 1,775 9,776 1,779 1,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,834 1,836 3,840 34,843 1,845 1,846 4,848 3,850 3,852 1,862 10.8,864 1,865 3,866 2,867 1,869 18.833,870 12.15,871 7.347,872 3.697,874 2.01,875 1.268,876 0.91,877 8.748,878 9.504,879 3.85,880 4.394,881 4.727,882 5.153,883 5.618,884 5.738,885 5.98,886 6.131,887 6.165,888 6.35,889 1,890 51,891 12.821,893 5.641,894 8.01,895 23.817,897 19.595,899 2.51,900 85.333,904 353.133,905 148.237,906 16.786,908 145.141,910 6.046,911 142.191,912 498.274,913 16.786,914 24.841,915 12.196,916 82.216,917 175.379,918 39.074,919 11.771,920 317.82,922 353.133,923 158.976,924 145.141,925 6.046,927 270.735,928 205.539,929 22,930 0.36,931 47.941,932 74.937,933 41.784,935 353.133,936 161.926,937 148.237,939 6.046,940 353.493,941 23.086,942 118.746,944 161.926,945 353.133,946 161.926,947 148.237,949 0.588,950 0.312,951 0.151,952 0.084,953 22,954 11,955 0.149,956 10,958 1,959 4.374,960 302.818,962 18,963 164.974,967 1,968 26.207,969 11.349,970 7.551,972 161.926,973 13.532,974 4.222,978 1.651,980 42.683,981 663.296,982 46,986 -3.289,987 34.109,989 3.836,991 -0.821,994 65.723,995 73.112,996 0.261,997 0.617,998 0.828,999 0.892,1000 0.897,1001 0.897,1002 5.112,1003 1.615,1004 6.028,1005 5.058,1006 4.635,1007 5.081,1008 3.528,1009 6.882,1010 4.53,1011 6.336,1012 1.52,1013 7.63,1014 4.536,1015 4.511,1016 5.121,1017 2.243,1018 8.209,1019 4.294,1020 7.675,1021 1.449,1022 9.357,1023 3.651,1024 6.347,1025 7.262,1026 5.3,1027 11.189,1028 6.106,1029 9.052,1030 1,1031 11.162,1032 3.137,1033 7.013,1034 8.11,1035 4.112,1036 13.301,1037 6.643,1038 10.465,1039 1,1040 13.017,1041 2.477,1042 8.42,1043 9.841,1044 7.327,1045 15.926,1046 8.016,1047 11.904,1048 1,1049 14.905,1050 2.275,1051 9.406,1052 11.051,1053 5.889,1054 18.291,1055 8.887,1056 13.364,1057 0.779,1058 16.816,1059 2.136,1060 10.671,1061 12.645,1062 9.43,1063 20.821,1064 10.103,1065 3.409,1066 0.087,1067 18.742,1068 1.671,1069 11.788,1070 14.026,1071 7.625,1072 23.271,1073 11.123,1074 3.311,1075 12.546,1076 20.681,1077 0.213,1078 13.007,1079 15.574,1080 11.561,1081 25.776,1082 12.284,1083 2.983,1084 11.657,1085 22.627,1086 4.66,1087 14.175,1088 17.036,1089 9.342,1090 28.258,1091 13.373,1092 2.411,1093 10.191,1094 24.579,1095 3.601,1096 15.382,1097 18.571,1098 13.706,1099 30.759,1100 14.519,1101 2.262,1102 6.99,1103 26.537,1104 3.525,1105 16.572,1106 20.071,1107 11.051,1108 33.254,1109 15.639,1110 2.221,1111 6.398,1112 28.498,1113 3.23,1114 17.777,1115 21.604,1116 15.858,1117 35.758,1118 16.784,1119 1.752,1120 5.185,1121 30.461,1122 2.732,1123 18.977,1124 23.124,1125 12.755,1126 38.26,1127 17.921,1128 16072,1129 29036,1130 22.94,1131 42.256,1132 54.264,1133 56.913,1134 54.533,1135 53.776,1136 53.6,1137 66.985,1138 16.854,1139 156.24,1140 50.97,1141 5.801,1142 7.18,1143 7.117,1144 5.447,1145 5.409,1146 7.66,1147 5.9,1148 19.98,1149 5.242,1150 21.286,1151 1.507,1152 1.581,1153 1.515,1154 1.494,1155 1.489,1156 1.861,1157 0.468,1158 4.34,1159 1.416,1160 4.082,1161 4.06,1162 4.735,1163 4.09,1164 7.716,1165 3.989,1166 3.96,1167 3.98,1168 3.904,1169 3.847,1170 7.474,1171 3.849,1172 3.771,1173 3.807,1174 3.752,1175 3.65,1176 6.999,1177 3.644,1178 3.737,1179 3.761,1180 3.653,1181 3.619,1182 6.351,1183 3.592,1184 3.626,1185 3.639,1186 3.574,1187 3.499,1188 4.948,1189 3.477,1190 3.531,1191 3.569,1192 3.421,1193 3.392,1194 4.849,1195 3.382,1196 3.322,1197 3.352,1198 3.21,1199 3.111,1200 4.701,1201 3.128,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.381,1207 2.791,1208 0.133,1209 0.144,1210 0.203,1211 0.121,1212 0.095,1213 4.801,1214 0.129,1215 5.18,1216 0.082,1217 7.315,1218 0.349,1219 4.361,1220 0.09,1221 3.409,1222 4.66,1223 2.95,1224 12.546,1225 3.242,1226 1.969,1227 1.985,1228 2.048,1229 2.063,1230 1.362,1231 2.077,1232 1.905,1233 1.876,1234 1.983,1235 2.019,1236 1.211,1237 2.042,1238 1.749,1239 1.707,1240 1.926,1241 1.895,1242 1.143,1243 1.906,1244 1.68,1245 1.656,1246 1.87,1247 1.863,1248 1.094,1249 1.877,1250 1.553,1251 1.536,1252 1.772,1253 1.74,1254 0.935,1255 1.756,1256 1.498,1257 1.466,1258 1.579,1259 1.643,1260 0.803,1261 1.694,1262 1.252,1263 1.215,1264 1.494,1265 1.504,1266 0.647,1267 1.495,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.29,1276 5.624,1278 7.14,1280 8.738,1282 10.383,1284 4.871,1289 8.793,1290 1.662,1292 18.579,1294 -0.946,1296 -0.866,1300 40.114,1301 102.126,1302 241.531,1303 324.17,1304 349.189,1305 351.189,1306 351.189,1307 104.858,1308 7.494,1309 112.02,1310 120.4,1311 18,1312 12.635,1313 4.087,1314 3.459,1315 67.251,1316 160,1317 182,1318 0.201,1319 250.879,1320 452.1,1321 603.904,1322 17643,1324 24.769,1325 0.729,1326 0.6,1327 25.019,1328 20.403,1329 16.059,1330 0.446,1331 0.361,1332 11.087,1333 14.596,1334 10.561,1335 8.762,1336 16.954,1337 12.981,1338 15.64,1339 0.307,1340 0.213,1341 17.027,1342 10.873,1343 11.151,1344 0.186,1345 0.111,1346 11.908,1347 6.632,1348 8.755,1349 0.12,1350 0.06,1351 9.272,1352 4.366,1353 6.947,1354 0.076,1355 0.032,1356 7.315,1357 2.902,1358 0.32,1359 110.442,1360 0.209,1361 31.758,1362 0.543,1363 174,1364 583.068,1365 229.618,1366 562.337,1367 735.69,1368 518,1369 198,1370 489.777,1371 258.162,1372 521.319,1373 751.22,1374 484,1375 7.469} {0 CHEMBL159778,1 1.638,2 13.514,3 4.095,4 16.767,5 133.859,6 7.733,7 0.324,8 4.261,9 4.357,10 3.874,11 3.775,12 5.413,13 3.744,14 4.814,15 4.956,16 4.221,17 4.147,18 6.044,19 4.102,20 5.088,21 5.25,22 4.316,23 4.302,24 6.177,25 4.245,26 5.25,27 5.454,28 4.317,29 4.343,30 6.329,31 4.278,32 5.188,33 5.375,34 4.381,35 4.402,36 6.225,37 4.328,38 5.357,39 5.594,40 4.331,41 4.427,42 6.368,43 4.34,44 5.339,45 5.544,46 4.281,47 4.382,48 6.507,49 4.283,50 5.167,51 5.401,52 4.182,53 4.321,54 6.098,55 4.197,56 0.193,57 0.88,58 13.639,59 6.714,60 18.968,61 7.929,62 0.635,63 1.388,64 29.152,65 11.306,66 92.197,67 13.459,68 0.867,69 1.714,70 38.051,71 13.986,72 80.417,73 16.949,74 1.301,75 1.882,76 48.053,77 15.276,78 126.961,79 19.303,80 0.619,81 1.944,82 41.837,83 15.511,84 77.16,85 19.97,86 1.027,87 2.163,88 50.93,89 16.833,90 107.305,91 22.936,92 1.692,93 1.998,94 52.62,95 16.717,96 207.853,97 20.832,98 0.743,99 1.89,100 49.71,101 15.855,102 84.692,103 20.456,104 64,105 51,106 0.261,107 0.614,108 0.815,109 0.877,110 0.882,111 0.882,112 3.588,113 1.012,114 -4.39,115 -4.32,116 -4.07,118 38.5,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 5,141 1,142 3,143 2,154 1,162 2,163 1,167 1,168 8,169 1,171 2,172 10,175 1,177 1,180 10,181 1,185 3,186 14,191 1,194 7,195 1,197 3,198 10,203 1,206 7,207 1,210 16,215 1,218 12,219 1,221 3,222 15,227 1,229 7,230 1,233 5,234 8,239 1,242 11,247 6,248 2,255 10,256 1,258 2,259 10,262 2,264 1,267 9,268 1,270 2465,271 23.084,272 23.084,273 23.084,274 23.084,275 23.084,276 20.863,277 26.26,278 13.784,279 23.7,280 18.209,281 18.209,282 18.209,283 18.209,284 18.209,285 14.944,286 31.186,287 6.485,288 19.066,289 4.384,290 2.174,291 0.914,292 0.527,293 0.496,294 0.496,295 4.267,300 1,301 975,302 4.743,306 384.351,313 2.186,314 50.03,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,323 0.5,324 0.69,325 78,326 473,327 4.5,328 4.331,329 7.319,330 4.369,331 3.417,332 4.153,333 2.95,334 12.574,335 3.247,336 4.322,337 3.848,338 6.505,339 3.977,340 3.013,341 3.591,342 2.612,343 10.21,344 2.901,345 4.124,346 3.753,347 6.415,348 3.895,349 2.927,350 3.368,351 2.341,352 9.787,353 2.825,354 3.716,355 3.597,356 5.257,357 3.257,358 2.288,359 3.173,360 1.465,361 6.569,362 2.238,363 3.567,364 3.329,365 5.238,366 3.219,367 2.265,368 2.736,369 0.86,370 6.41,371 2.193,372 3.517,373 2.778,374 5.047,375 3.193,376 2.223,377 2.696,378 0.811,379 5.539,380 2.065,381 3.36,382 2.516,383 4.665,384 2.875,385 1.927,386 2.601,388 5.183,389 1.81,390 3.115,391 2.4,392 4.657,393 2.68,394 1.706,395 2.201,397 4.685,398 1.653,399 2.85,400 2.223,401 4.128,402 2.508,403 1.553,404 1.93,406 3.651,407 1.482,408 2.625,409 1.943,410 3.639,411 2.438,412 1.456,413 1.61,415 3.137,416 1.419,417 2.591,418 1.861,419 3.618,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.417,428 3.48,429 1.958,430 1,431 1.5,433 2.425,434 0.955,435 2.17,436 1.368,437 3.301,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.92,445 1.217,446 3.247,447 1.773,448 0.781,449 0.834,451 1.674,452 0.769,453 1.751,454 1,455 3.034,456 1.407,457 0.596,458 0.663,460 1.07,461 0.47,462 16.467,463 0.47,464 0.964,465 0.028,466 40.25,467 1.15,468 18.5,469 0.529,470 21.75,471 0.621,472 37.515,473 1.072,474 39.933,475 0.614,476 34.5,477 0.986,478 7.618,479 0.218,480 9.089,481 0.26,482 0.172,483 0.03,484 0.267,487 0.666,488 1.21,489 0.755,490 1.089,491 0.638,492 1.025,493 0.811,494 1.135,495 0.979,496 1.137,497 0.45,498 1.005,499 1.079,500 1.144,501 1.016,502 1.11,503 0.742,504 1.106,505 1.253,506 0.828,507 0.92,508 0.785,509 0.798,510 0.861,511 0.828,512 1.276,513 0.846,514 1.19,515 0.674,516 1.166,517 0.883,518 0.914,519 0.776,520 0.861,521 0.667,522 0.944,523 1.331,524 0.852,525 1.043,526 0.8,527 1.399,528 0.99,529 0.75,530 1.036,531 1.13,532 1.163,533 0.612,534 1.017,535 8,536 0.301,537 4.222,538 2.438,539 2.218,540 1.806,541 0.83,542 0.639,543 0.5,544 0.352,545 16675,546 55375,547 1.971,548 46.2,549 4,550 13,551 1,552 2,553 1,554 2,555 6,556 1,558 1.771,559 1.818,560 3.66,561 -0.316,567 106.499,568 1.638,569 3.848,570 5.109,571 5.495,572 5.526,573 5.526,574 3.25,575 4.765,576 5.092,577 3.873,578 2304.64,579 8.971,580 36333.2,585 391.454,586 1.608,587 5.037,588 0.216,589 0.008,590 0.083,591 0.045,592 0.041,593 0.032,594 0.015,595 0.013,596 0.011,597 0.008,598 0.472,599 0.17,600 0.63,601 1.647,602 189.655,603 0.064,604 -0.011,605 0.062,606 0.01,607 -0.04,609 0.119,610 -0.043,611 0.005,612 -0.04,613 0.215,614 0.004,615 -0.028,616 -0.121,617 -0.097,618 -0.115,619 -0.04,620 -0.129,621 -0.096,622 0.111,623 0.003,624 0.128,625 -0.017,626 0.095,627 -0.026,628 -0.257,629 -0.002,630 -0.22,631 -0.012,632 -0.16,633 -0.013,634 0.05,635 0.052,636 -0.005,637 0.021,638 0.026,639 -0.094,640 0.063,641 -0.113,642 0.098,643 -0.157,644 -0.047,645 -0.028,646 -0.012,647 -0.038,648 -0.083,649 -0.025,650 0.016,651 2.499,652 4.624,653 0.514,654 44.155,655 1.014,656 1.126,657 3.156,658 9.961,659 0.654,660 3.638,661 3.951,662 4.159,663 4.382,664 4.635,665 4.718,666 4.804,667 4.852,668 4.905,669 5.004,670 7.844,671 0.625,672 502.64,673 3.638,674 5.176,675 6.004,676 6.878,677 7.735,678 8.618,679 9.488,680 10.378,681 11.255,682 12.148,683 3.1,693 1,694 1,699 7,700 1,704 4,706 12,718 1,722 1,724 65,726 16,727 1,728 37,730 67,731 25,733 11,734 3,735 3,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 30,773 8,774 1,775 10,776 1,779 2,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 3,840 35,845 1,846 4,848 3,849 1,850 3,852 1,862 10.8,864 1,865 1,866 2,867 1,868 2,869 19.25,870 12.267,871 7.819,872 3.71,874 2.111,875 1.279,876 0.898,877 9.695,878 9.674,879 3.871,880 4.382,881 4.779,882 5.244,883 5.727,884 5.811,885 6.031,886 6.117,887 6.222,888 6.523,889 1,890 54,891 13.033,893 5.547,894 8.012,895 24.285,897 19.534,899 2.512,900 87.917,904 341.362,905 167.691,906 22.456,908 151.575,910 32.22,911 135.471,912 492.937,913 22.456,914 30.511,915 12.196,916 66.693,917 131.066,918 41.831,919 11.771,920 338.268,921 50.747,922 341.362,923 157.927,924 151.575,925 32.22,927 258.964,928 161.226,929 72.747,930 0.36,931 47.941,932 68.218,933 41.408,934 32.22,935 341.362,936 174.03,937 167.691,940 341.722,941 58.062,942 114.939,944 168.36,945 341.362,946 174.03,947 167.691,949 0.577,950 0.321,951 0.165,952 0.096,953 21,954 11,955 0.164,956 11,958 1,959 4.399,960 319.176,962 18,963 175.525,964 1,968 27.151,969 12.498,970 7.518,972 168.36,973 12.056,974 4.213,978 1.68,980 42.683,981 683.083,982 47,985 -0.459,987 33.97,989 3.799,991 -0.833,994 65.942,995 73.195,996 0.272,997 0.639,998 0.848,999 0.912,1000 0.918,1001 0.918,1002 5.118,1003 1.706,1004 6.014,1005 5.183,1006 4.635,1007 5.069,1008 3.812,1009 6.845,1010 4.548,1011 6.311,1012 1.553,1013 7.594,1014 4.685,1015 4.369,1016 4.89,1017 2.946,1018 8.017,1019 4.245,1020 7.615,1021 1.456,1022 9.292,1023 3.651,1024 6.282,1025 7.131,1026 5.572,1027 11.055,1028 6.111,1029 8.951,1030 1,1031 11.064,1032 3.137,1033 6.836,1034 7.721,1035 5.015,1036 13.07,1037 6.617,1038 10.319,1039 1,1040 12.885,1041 2.477,1042 8.272,1043 9.497,1044 7.551,1045 15.713,1046 8.012,1047 11.708,1048 1,1049 14.74,1050 2.425,1051 9.187,1052 10.45,1053 6.969,1054 18.034,1055 8.874,1056 13.114,1057 0.781,1058 16.621,1059 2.136,1060 10.455,1061 12.035,1062 9.608,1063 20.569,1064 10.1,1065 3.417,1066 0.596,1067 18.521,1068 1.674,1069 11.531,1070 13.184,1071 8.883,1072 23.004,1073 11.12,1074 3.013,1075 12.574,1076 20.435,1077 1.07,1078 12.743,1079 14.679,1080 11.702,1081 25.515,1082 12.287,1083 2.927,1084 10.21,1085 22.361,1086 4.153,1087 13.888,1088 15.939,1089 10.78,1090 27.997,1091 13.378,1092 2.288,1093 9.787,1094 24.297,1095 3.591,1096 15.087,1097 17.391,1098 13.817,1099 30.507,1100 14.528,1101 2.265,1102 6.569,1103 26.239,1104 3.368,1105 16.265,1106 18.715,1107 12.672,1108 33.01,1109 15.651,1110 2.223,1111 6.41,1112 28.188,1113 3.173,1114 17.464,1115 20.147,1116 15.946,1117 35.524,1118 16.799,1119 1.927,1120 5.539,1121 30.142,1122 2.736,1123 18.657,1124 21.509,1125 14.565,1126 38.039,1127 17.939,1128 16667,1129 30526,1130 23.75,1131 42.5,1132 55.189,1133 59.649,1134 56.546,1135 54.467,1136 54.462,1137 67.737,1138 22.079,1139 155.415,1140 52.011,1141 5.5,1142 6.331,1143 7.121,1144 5.452,1145 5.417,1146 7.153,1147 5.9,1148 20.08,1149 5.247,1150 21.434,1151 1.492,1152 1.612,1153 1.528,1154 1.472,1155 1.472,1156 1.831,1157 0.597,1158 4.2,1159 1.406,1160 4.02,1161 4.038,1162 4.061,1163 3.902,1164 7.815,1165 3.901,1166 3.938,1167 3.965,1168 3.889,1169 3.832,1170 7.474,1171 3.833,1172 3.761,1173 3.805,1174 3.702,1175 3.646,1176 6.999,1177 3.641,1178 3.704,1179 3.738,1180 3.661,1181 3.542,1182 6.351,1183 3.546,1184 3.559,1185 3.604,1186 3.601,1187 3.402,1188 4.945,1189 3.398,1190 3.49,1191 3.508,1192 3.449,1193 3.223,1194 4.834,1195 3.192,1196 3.325,1197 3.354,1198 3.281,1199 3.11,1200 4.69,1201 3.129,1202 3.176,1203 3.247,1204 3.197,1205 2.977,1206 4.386,1207 2.985,1208 0.122,1209 0.117,1210 0.198,1211 0.118,1212 0.092,1213 4.5,1214 0.112,1215 4.331,1216 0.08,1217 7.319,1218 0.34,1219 4.369,1220 0.088,1221 3.417,1222 4.153,1223 2.95,1224 12.574,1225 3.247,1226 1.917,1227 1.899,1228 2.047,1229 2.084,1230 1.362,1231 2.057,1232 1.894,1233 1.868,1234 1.968,1235 2.039,1236 1.152,1237 2.019,1238 1.749,1239 1.706,1240 1.926,1241 1.895,1242 1.121,1243 1.906,1244 1.662,1245 1.624,1246 1.865,1247 1.859,1248 1.055,1249 1.858,1250 1.535,1251 1.486,1252 1.771,1253 1.732,1254 0.935,1255 1.743,1256 1.266,1257 1.233,1258 1.518,1259 1.634,1260 0.648,1261 1.571,1262 1.251,1263 1.214,1264 1.494,1265 1.506,1266 0.645,1267 1.495,1268 1.133,1269 1.079,1270 1.417,1271 1.39,1272 0.469,1273 1.448,1274 4.317,1276 5.631,1278 7.136,1280 8.733,1282 10.383,1284 5.399,1289 8.806,1290 1.541,1292 18.526,1293 1.414,1294 -1.161,1296 -1.033,1300 40.609,1301 106.499,1302 250.121,1303 332.07,1304 357.189,1305 359.189,1306 359.189,1307 108.506,1308 7.563,1309 123.7,1310 149,1311 18,1312 12.678,1313 4.087,1314 3.459,1315 70.269,1316 161,1317 192,1318 0.21,1319 254.745,1320 460.46,1321 613.339,1322 19082,1324 25.424,1325 0.726,1326 0.594,1327 25.778,1328 20.773,1329 16.708,1330 0.452,1331 0.337,1332 11.184,1333 15.371,1334 10.727,1335 8.907,1336 17.265,1337 12.487,1338 15.312,1339 0.3,1340 0.188,1341 15.805,1342 9.584,1343 11.644,1344 0.185,1345 0.101,1346 12.118,1347 6.332,1348 9.254,1349 0.117,1350 0.054,1351 9.595,1352 4.247,1353 7.634,1354 0.075,1355 0.029,1356 8.029,1357 2.98,1358 0.33,1359 111.862,1360 0.205,1361 32.268,1362 0.575,1363 176,1364 618.714,1365 219.777,1366 593.633,1367 774.74,1368 550,1369 202,1370 532.131,1371 240.066,1372 537.139,1373 777.5,1374 499,1375 7.658} {0 CHEMBL159851,1 1.549,2 12.788,3 4.482,4 20.089,5 122.812,6 7.3,7 0.343,8 4.197,9 4.303,10 3.727,11 3.732,12 5.347,13 3.708,14 4.759,15 4.917,16 4.083,17 4.126,18 5.894,19 4.079,20 5.076,21 5.263,22 4.182,23 4.319,24 6.116,25 4.24,26 5.288,27 5.533,28 4.155,29 4.345,30 6.263,31 4.252,32 5.128,33 5.332,34 4.194,35 4.387,36 6.193,37 4.286,38 5.313,39 5.567,40 4.172,41 4.425,42 6.24,43 4.301,44 5.237,45 5.476,46 4.114,47 4.357,48 6.269,49 4.237,50 5.199,51 5.466,52 4.011,53 4.271,54 6.229,55 4.143,56 0.051,57 0.884,58 12.721,59 6.281,60 19.585,61 7.738,62 0.419,63 1.423,64 24.843,65 10.466,66 64.234,67 13.305,68 0.356,69 1.875,70 35.296,71 14.233,72 76.86,73 18.299,74 0.997,75 2.019,76 48.867,77 15.998,78 125.388,79 21.282,80 0.371,81 1.98,82 36.989,83 14.961,84 96.607,85 20.191,86 0.648,87 2.183,88 48.098,89 17.271,90 110.912,91 24.035,92 0.676,93 2.08,94 44.162,95 15.737,96 121.899,97 21.588,98 0.985,99 2.057,100 44.72,101 15.04,102 138.523,103 20.669,104 46,105 48,106 0.25,107 0.598,108 0.795,109 0.877,110 0.887,111 0.887,112 3.532,113 0.945,114 -4.5,115 -4.42,116 -4.17,118 41.9,119 2,120 4,121 1,122 1,124 1,126 1,127 1,133 2,140 5,141 3,142 1,143 2,154 2,163 1,167 1,168 15,169 1,171 1,172 9,175 1,177 1,180 16,181 1,186 13,191 1,194 13,195 1,197 1,198 10,203 1,206 13,207 1,210 11,215 1,218 16,219 1,221 1,222 12,227 1,229 13,230 1,233 2,234 7,239 1,242 16,247 2,248 2,255 16,256 1,258 2,259 6,262 2,264 1,267 14,268 1,270 2139,271 21.877,272 21.877,273 21.877,274 21.877,275 21.877,276 19.816,277 21.601,278 13.12,279 22.107,280 17.236,281 17.236,282 17.236,283 17.236,284 17.236,285 14.189,286 20.971,287 6.188,288 17.64,289 4.405,290 2.24,291 1.018,292 0.508,293 0.444,294 0.444,295 4.211,299 1,300 1,301 873,302 4.416,306 359.542,313 2.145,314 44.621,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 72.5,326 422,327 4.464,328 4.074,329 7.318,330 4.409,331 3.414,332 3.967,333 2.341,334 12.567,335 3.397,336 4.246,337 3.674,338 6.501,339 3.969,340 2.993,341 3.59,342 2.035,343 10.198,344 2.914,345 4.114,346 3.597,347 6.151,348 3.815,349 2.826,350 3.346,351 1.465,352 9.045,353 2.795,354 3.567,355 3.269,356 5.251,357 3.257,358 2.266,359 2.8,360 0.811,361 6.414,362 2.238,363 3.542,364 3.003,365 5.01,366 3.219,367 2.223,368 2.73,370 5.852,371 2.195,372 3.513,373 2.643,374 4.822,375 3.046,376 2.108,377 2.67,379 5.185,380 1.956,381 3.279,382 2.428,383 4.659,384 2.738,385 1.756,386 2.217,388 5.066,389 1.718,390 3.114,391 2.204,392 4.307,393 2.586,394 1.607,395 2.185,397 4.01,398 1.574,399 2.85,400 1.936,401 4.122,402 2.47,403 1.503,404 1.927,406 3.641,407 1.453,408 2.664,409 1.861,410 3.637,411 2.432,412 1.443,413 1.595,415 3.137,416 1.418,417 2.598,418 1.623,419 3.48,420 1.958,421 1,422 1.5,424 2.477,425 0.955,426 2.5,427 1.398,428 3.296,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.17,436 1.214,437 3.247,438 1.774,439 0.78,440 0.985,442 1.674,443 0.77,444 1.919,445 1,446 3.038,447 1.528,448 0.564,449 0.831,451 1.096,452 0.541,453 1.498,454 0.763,455 2.837,456 1.073,457 0.128,458 0.17,460 0.247,461 0.119,462 15.419,463 0.467,464 0.875,465 0.027,466 37.5,467 1.136,468 17.5,469 0.53,470 20,471 0.606,472 34.948,473 1.059,474 36.781,475 0.593,476 30.606,477 0.927,478 7.221,479 0.219,480 8.576,481 0.26,482 0.153,483 0.032,484 0.259,486 1,487 0.713,488 1.115,489 0.797,490 1.152,491 0.613,492 1.026,493 0.772,494 0.998,495 0.883,496 1.05,497 0.489,498 1.006,499 0.969,500 1.176,501 1.069,502 1.275,503 0.794,504 1.215,505 1.267,506 0.691,507 0.994,508 0.717,509 0.718,510 0.79,511 0.656,512 1.05,513 1.005,514 1.236,515 0.517,516 1.207,517 0.759,518 0.875,519 0.927,520 0.989,521 0.564,522 0.993,523 0.858,524 0.962,525 1.039,526 1.049,527 0.785,528 1.079,529 0.932,530 0.873,531 0.995,532 0.84,533 0.951,534 0.904,535 7.5,536 0.243,537 4,538 2.188,539 2.058,540 1.458,541 0.749,542 0.545,543 0.488,544 0.277,545 14389,546 45355,547 1.987,548 46.8,549 12,550 10,551 1,552 2,553 1,554 2,556 1,558 1.757,559 1.842,560 3.603,561 -0.382,563 1,567 96.067,568 1.549,569 3.715,570 4.936,571 5.446,572 5.51,573 5.51,574 3.127,575 4.741,576 5.007,577 3.813,578 2013.4,579 8.8,580 30465.1,582 1,585 369.16,586 1.573,587 4.957,588 0.214,589 0.007,590 0.083,591 0.044,592 0.042,593 0.029,594 0.015,595 0.012,596 0.012,597 0.007,598 0.465,599 0.17,600 1,601 1.609,602 175.57,603 -0.033,604 -0.047,605 0.028,606 -0.021,607 -0.023,608 0.01,609 0.089,610 -0.011,611 0.02,612 0.011,613 0.112,614 0.003,615 -0.074,616 -0.193,617 -0.139,618 -0.237,619 -0.057,620 -0.209,621 -0.153,622 0.131,623 0.031,624 0.229,625 -0.033,626 0.177,627 0.011,628 -0.132,629 -0.106,630 -0.207,631 0.074,632 -0.189,633 -0.008,634 -0.016,635 0.032,636 -0.013,637 0.002,638 0.013,639 -0.032,640 -0.077,641 -0.078,642 -0.077,643 -0.039,644 -0.088,645 0.035,646 0.186,647 0.016,648 0.127,649 -0.044,650 0.086,651 2.483,652 5.552,653 0.545,654 40.468,655 1.006,656 1.129,657 3.266,658 10.669,659 0.652,660 3.584,661 3.892,662 4.094,663 4.317,664 4.564,665 4.615,666 4.718,667 4.762,668 4.844,669 4.913,670 7.551,671 0.624,672 452.57,673 3.584,674 5.118,675 5.943,676 6.815,677 7.667,678 8.547,679 9.414,680 10.299,681 11.174,682 12.063,683 3.2,692 1,693 1,699 7,700 1,704 4,706 12,707 1,723 1,724 62,726 15,727 1,728 35,730 64,731 26,733 11,734 3,735 3,739 3,740 3,745 2,746 1,748 1,749 1,751 5,752 1,753 14,754 11,755 1,756 2,761 1,763 2,765 1,769 1,770 1,772 29,773 7,774 1,775 7,779 2,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 33,845 1,846 5,848 2,850 3,852 1,853 1,858 1,860 1,861 1,862 6.5,864 1,865 1,866 2,869 17.917,870 11.493,871 7.375,872 3.7,874 2.102,875 1.283,876 0.906,877 8.471,878 9.527,879 3.829,880 4.304,881 4.727,882 5.187,883 5.662,884 5.681,885 5.902,886 5.998,887 6.17,888 6.452,889 0.889,890 50,891 12.272,893 5.224,894 8.003,895 23.053,897 18.85,899 2.503,900 82.583,903 1,904 329.591,905 153.358,906 47.845,908 89.828,909 14.96,911 153.358,912 419.419,913 62.805,914 17.65,915 14.731,916 66.693,917 147.667,918 67.832,919 26.731,920 294.278,922 329.591,923 201.203,924 104.788,927 332.78,928 79.599,929 22,930 0.36,931 81.535,932 83.571,933 35.738,935 344.551,936 137.673,937 153.358,940 329.95,941 34.318,942 102.079,943 16.602,944 152.633,945 329.591,946 152.633,947 153.358,949 0.575,950 0.319,951 0.167,952 0.096,953 20,954 10,955 0.141,956 9,958 1,959 4.284,960 293.038,962 18,963 164.465,968 24.741,969 11.299,970 6.792,972 152.633,973 11.59,974 4.234,978 1.573,980 42.683,981 635.582,982 45,987 10.702,989 3.856,991 -0.817,994 62.396,995 69.987,996 0.26,997 0.624,998 0.829,999 0.915,1000 0.925,1001 0.925,1002 5.081,1003 1.607,1004 5.948,1005 5.066,1006 4.575,1007 4.99,1008 3.155,1009 6.772,1010 4.53,1011 6.274,1012 1.503,1013 7.522,1014 4.01,1015 4.29,1016 4.691,1017 2.243,1018 7.941,1019 4.245,1020 7.57,1021 1.443,1022 9.215,1023 3.641,1024 6.217,1025 7.016,1026 4.407,1027 10.976,1028 6.146,1029 8.895,1030 1,1031 10.983,1032 3.137,1033 6.758,1034 7.479,1035 4.112,1036 12.999,1037 6.693,1038 10.251,1039 1,1040 12.803,1041 2.477,1042 8.202,1043 9.326,1044 5.84,1045 15.642,1046 8.117,1047 11.628,1048 0.78,1049 14.658,1050 2.136,1051 9.113,1052 10.163,1053 5.889,1054 17.972,1055 9.033,1056 13.023,1057 0.564,1058 16.54,1059 1.674,1060 10.386,1061 11.793,1062 7.361,1063 20.511,1064 10.292,1065 3.414,1066 0.128,1067 18.443,1068 1.096,1069 11.461,1070 12.838,1071 7.625,1072 22.955,1073 11.369,1074 2.993,1075 12.567,1076 20.36,1077 0.247,1078 12.676,1079 14.353,1080 8.931,1081 25.47,1082 12.576,1083 2.826,1084 10.198,1085 22.289,1086 3.967,1087 13.823,1088 15.522,1089 9.342,1090 27.958,1091 13.722,1092 2.266,1093 9.045,1094 24.228,1095 3.59,1096 15.025,1097 16.972,1098 10.535,1099 30.472,1100 14.918,1101 2.223,1102 6.414,1103 26.174,1104 3.346,1105 16.204,1106 18.216,1107 11.051,1108 32.98,1109 16.096,1110 2.108,1111 5.852,1112 28.127,1113 2.8,1114 17.406,1115 19.629,1116 12.161,1117 35.498,1118 17.294,1119 1.756,1120 5.185,1121 30.085,1122 2.73,1123 18.602,1124 20.92,1125 12.755,1126 38.015,1127 18.488,1128 14331,1129 25546,1130 22.652,1131 40.426,1132 53.501,1133 55.866,1134 53.066,1135 51.312,1136 51.317,1137 63.404,1138 13.303,1139 145.69,1140 49.98,1141 5.464,1142 6.074,1143 7.12,1144 5.481,1145 5.414,1146 6.967,1147 4.376,1148 20.051,1149 5.397,1150 19.14,1151 1.529,1152 1.596,1153 1.516,1154 1.466,1155 1.466,1156 1.812,1157 0.38,1158 4.163,1159 1.428,1160 4.013,1161 4.041,1162 3.952,1163 3.926,1164 8.201,1165 3.927,1166 3.919,1167 3.949,1168 3.863,1169 3.829,1170 7.474,1171 3.832,1172 3.761,1173 3.804,1174 3.667,1175 3.646,1176 6.82,1177 3.642,1178 3.711,1179 3.749,1180 3.607,1181 3.58,1182 6.351,1183 3.578,1184 3.568,1185 3.614,1186 3.449,1187 3.415,1188 4.931,1189 3.414,1190 3.331,1191 3.358,1192 3.225,1193 3.117,1194 4.752,1195 3.136,1196 3.194,1197 3.244,1198 3.174,1199 3.032,1200 4.562,1201 3.057,1202 3,1203 3.068,1204 2.884,1205 2.839,1206 4.372,1207 2.834,1208 0.128,1209 0.116,1210 0.209,1211 0.126,1212 0.098,1213 4.464,1214 0.113,1215 4.074,1216 0.067,1217 7.318,1218 0.359,1219 4.409,1220 0.097,1221 3.414,1222 3.967,1223 2.341,1224 12.567,1225 3.397,1226 1.955,1227 1.932,1228 2.077,1229 2.072,1230 1.384,1231 2.072,1232 1.897,1233 1.867,1234 2.025,1235 2.006,1236 1.311,1237 2.012,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.134,1243 1.906,1244 1.691,1245 1.651,1246 1.875,1247 1.851,1248 1.013,1249 1.858,1250 1.547,1251 1.499,1252 1.775,1253 1.735,1254 0.935,1255 1.75,1256 1.255,1257 1.221,1258 1.495,1259 1.508,1260 0.649,1261 1.497,1262 1.116,1263 1.073,1264 1.417,1265 1.301,1266 0.486,1267 1.308,1268 0.99,1269 0.922,1270 1.318,1271 1.239,1272 0.469,1273 1.277,1274 4.263,1276 5.572,1278 7.074,1280 8.668,1282 10.314,1284 4.017,1286 13.552,1289 8.793,1290 2.217,1292 12.612,1294 -0.737,1296 -0.48,1298 9.401,1299 2.07,1300 38.66,1301 96.067,1302 230.311,1303 306.041,1304 337.65,1305 341.65,1306 341.65,1307 99.832,1308 7.425,1309 92.44,1310 92.44,1311 18,1312 12.596,1313 4,1314 3.459,1315 63.994,1316 145,1317 174,1318 0.211,1319 239.489,1320 436.31,1321 576.113,1322 16054,1323 1.6,1324 23.847,1325 0.723,1326 0.573,1327 22.976,1328 18.908,1329 15.797,1330 0.451,1331 0.315,1332 10.875,1333 15.184,1334 10.555,1335 8.768,1336 15.403,1337 11.022,1338 14.403,1339 0.3,1340 0.187,1341 13.769,1342 8.987,1343 10.98,1344 0.186,1345 0.098,1346 10.644,1347 5.78,1348 8.784,1349 0.119,1350 0.055,1351 8.545,1352 4.055,1353 7.282,1354 0.077,1355 0.03,1356 6.919,1357 2.856,1358 0.332,1359 99.38,1360 0.21,1361 30.782,1362 0.579,1363 166,1364 562.758,1365 184.312,1366 511.489,1367 663.42,1368 474,1369 190,1370 450.521,1371 207.367,1372 452.197,1373 653.37,1374 421,1375 8} {0 CHEMBL159859,1 1.539,2 12.613,3 4.407,4 19.421,5 121.25,6 8.312,7 0.364,8 4.156,9 4.254,10 3.807,11 3.691,12 5.237,13 3.659,14 4.717,15 4.863,16 4.216,17 4.069,18 5.829,19 4.018,20 5.02,21 5.195,22 4.28,23 4.226,24 6.032,25 4.141,26 5.13,27 5.354,28 4.138,29 4.226,30 6.046,31 4.13,32 5.035,33 5.227,34 4.197,35 4.277,36 5.98,37 4.179,38 5.231,39 5.487,40 4.155,41 4.332,42 6.072,43 4.201,44 5.143,45 5.373,46 4.268,47 4.303,48 6.047,49 4.165,50 5.1,51 5.352,52 4.211,53 4.231,54 5.991,55 4.074,56 0.049,57 0.752,58 11.233,59 6.037,60 13.503,61 7.36,62 0.413,63 1.214,64 24.35,65 10.117,66 56.897,67 12.435,68 0.694,69 1.532,70 42.122,71 13.661,72 70.238,73 16.506,74 0.858,75 1.645,76 50.047,77 14.643,78 82.869,79 18.203,80 0.361,81 1.662,82 34.684,83 13.877,84 53.288,85 18.054,86 0.626,87 1.923,88 47.556,89 16.468,90 74.712,91 22.299,92 0.614,93 1.753,94 45.009,95 15.629,96 72.245,97 20.186,98 0.664,99 1.663,100 70.806,101 15.844,102 70.36,103 20.203,104 32,105 45,106 0.252,107 0.6,108 0.795,109 0.864,110 0.87,111 0.87,112 3.472,113 1.011,114 -4.37,115 -4.3,116 -4.06,117 1,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 10,175 1,177 1,180 11,181 1,185 2,186 11,191 1,194 9,195 1,197 1,198 6,203 1,206 9,207 1,210 12,215 1,218 12,219 1,221 1,222 11,227 1,229 7,230 1,233 1,234 8,239 1,242 13,247 4,248 2,255 12,256 1,258 2,259 5,262 2,264 1,267 11,268 1,270 1906,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 18.538,277 22.391,278 12.406,279 20.952,280 16.32,281 16.32,282 16.32,283 16.32,284 16.32,285 13.55,286 26.282,287 5.962,288 17.144,289 4.343,290 2.22,291 1.026,292 0.602,293 0.568,294 0.568,295 4.152,300 1,301 813,302 4.243,306 338.259,313 2.092,314 33.226,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 67.25,326 391,327 4.427,328 3.802,329 7.315,330 4.361,331 3.407,332 3.662,333 2.341,334 12.546,335 3.242,336 4.142,337 3.597,338 6.5,339 3.953,340 2.984,341 3.583,342 1.465,343 10.191,344 2.889,345 3.956,346 3.333,347 5.443,348 3.498,349 2.564,350 3.324,351 0.86,352 7.13,353 2.375,354 3.567,355 2.924,356 5.246,357 3.257,358 2.266,359 2.736,360 0.811,361 6.405,362 2.237,363 3.516,364 2.644,365 4.965,366 3.217,367 2.223,368 2.698,370 5.743,371 2.192,372 3.363,373 2.401,374 4.679,375 2.919,376 2.045,377 2.61,379 5.183,380 1.719,381 3.115,382 2.193,383 4.658,384 2.688,385 1.718,386 2.201,388 4.841,389 1.615,390 2.85,391 1.936,392 4.127,393 2.511,394 1.557,395 1.929,397 3.652,398 1.471,399 2.604,400 1.861,401 3.637,402 2.438,403 1.457,404 1.596,406 3.137,407 1.418,408 2.5,409 1.404,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.218,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1,428 3.263,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.247,438 1.773,439 0.779,440 0.833,442 1.672,443 0.769,444 1.38,445 0.756,446 3.012,447 1.051,448 0.162,449 0.187,451 0.389,452 0.119,453 1.264,454 0.698,455 2.687,456 0.961,457 0.048,458 0.055,460 0.112,461 0.043,462 15.4,463 0.497,464 0.824,465 0.027,466 34,467 1.097,468 15,469 0.484,470 19,471 0.613,472 34.04,473 1.098,474 34.4,475 0.583,476 25.027,477 0.807,478 6.449,479 0.208,480 8.399,481 0.271,482 0.195,483 0.032,484 0.227,487 0.819,488 1.263,489 0.538,490 1.02,491 0.782,492 0.991,493 0.946,494 1.134,495 0.608,496 0.958,497 0.569,498 0.978,499 1.274,500 1.122,501 0.915,502 1.06,503 0.983,504 1.094,505 1.459,506 0.755,507 0.716,508 0.736,509 0.913,510 0.826,511 0.837,512 1.282,513 0.415,514 1.097,515 0.594,516 1.172,517 0.825,518 0.924,519 0.359,520 0.781,521 0.567,522 0.888,523 0.993,524 1.026,525 0.629,526 0.888,527 0.78,528 1.007,529 0.825,530 0.906,531 1.506,532 1.149,533 0.751,534 1.015,535 7,536 0.21,537 3.556,538 1.875,539 1.667,540 1.174,541 0.708,542 0.53,543 0.381,544 0.201,545 12491,546 39135,547 2.004,548 47.5,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.74,559 1.869,560 3.586,561 -0.361,563 1,567 90.821,568 1.539,569 3.663,570 4.857,571 5.281,572 5.315,573 5.315,574 3.106,575 4.374,576 4.914,577 3.782,578 1758.84,579 8.614,580 25565.2,585 347.076,586 1.525,587 4.873,588 0.212,589 0.007,590 0.079,591 0.042,592 0.039,593 0.026,594 0.016,595 0.013,596 0.01,597 0.006,598 0.45,599 0.17,600 0.88,601 1.543,602 162.053,603 -0.039,604 -0.098,605 0.007,606 -0.045,607 -0.085,608 -0.004,609 0.094,610 -0.056,611 0.027,612 -0.018,613 0.169,614 -0.021,615 -0.051,616 -0.122,617 -0.073,618 -0.103,619 -0.09,620 -0.144,621 -0.199,622 0.194,623 -0.033,624 0.154,625 -0.096,626 0.11,627 -0.023,628 -0.246,629 -0.013,630 -0.218,631 0.003,632 -0.205,633 -0.007,634 0.05,635 0.054,636 0.059,637 0.018,638 0.075,639 -0.076,640 -0.047,641 0.027,642 0.02,643 -0.071,644 -0.037,645 -0.013,646 0.061,647 -0.088,648 -0.078,649 -0.042,650 0.006,651 2.46,652 3.684,653 0.581,654 37.95,655 1.006,656 1.122,657 3.139,658 9.854,659 0.666,660 3.526,661 3.829,662 4.007,663 4.22,664 4.466,665 4.511,666 4.644,667 4.7,668 4.736,669 4.771,670 7.363,671 0.627,672 490.43,673 3.526,674 5.056,675 5.872,676 6.737,677 7.58,678 8.454,679 9.312,680 10.193,681 11.06,682 11.945,683 1.7,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 59,726 14,727 1,728 33,729 1,730 61,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,772 28,773 6,774 1,775 7,776 1,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,835 1,836 2,840 31,845 1,846 4,848 3,850 3,852 1,861 1,862 8.5,864 1,865 1,866 2,867 1,869 16.583,870 10.793,871 6.847,872 3.469,874 1.821,875 1.25,876 0.911,877 8.529,878 9.091,879 3.738,880 4.22,881 4.585,882 5.014,883 5.487,884 5.421,885 5.654,886 5.882,887 6.012,888 6.224,889 0.889,890 45,891 11.502,893 4.81,894 7.796,895 21.912,897 17.725,899 2.296,900 71.167,904 317.82,905 136.505,906 62.74,908 100.828,911 182.459,912 418.648,913 16.786,914 17.65,915 12.196,916 76.17,917 131.066,918 40.579,919 11.771,920 282.506,921 45.954,922 317.82,923 153.29,924 100.828,926 45.954,927 235.422,928 161.226,929 22,930 0.36,931 47.941,932 69.251,933 35.738,934 45.954,935 317.82,936 117.613,937 182.459,940 318.179,941 24.59,942 111.555,943 45.954,944 117.613,945 317.82,946 117.613,947 182.459,949 0.576,950 0.31,951 0.157,952 0.092,953 19,954 9,955 0.148,956 9,958 1,959 4.195,960 265.964,962 18,963 145.58,968 23.773,969 11.121,970 7.061,972 117.613,973 15.114,974 4.247,978 2.708,980 42.683,981 617.892,982 41,987 10.684,989 3.911,991 -0.793,994 59.338,995 66.2,996 0.262,997 0.623,998 0.826,999 0.898,1000 0.903,1001 0.903,1002 4.977,1003 1.557,1004 5.872,1005 4.841,1006 4.511,1007 4.905,1008 2.812,1009 6.678,1010 4.414,1011 6.152,1012 1.457,1013 7.434,1014 3.652,1015 4.205,1016 4.559,1017 2.243,1018 7.84,1019 4.035,1020 7.436,1021 1,1022 9.117,1023 3.137,1024 6.138,1025 6.887,1026 3.888,1027 10.866,1028 5.955,1029 8.75,1030 1,1031 10.878,1032 2.477,1033 6.661,1034 7.256,1035 4.112,1036 12.907,1037 6.412,1038 10.095,1039 1,1040 12.695,1041 2.275,1042 8.113,1043 9.13,1044 5.312,1045 15.553,1046 7.842,1047 11.462,1048 0.779,1049 14.551,1050 2.136,1051 9.014,1052 9.839,1053 5.889,1054 17.902,1055 8.682,1056 12.846,1057 0.162,1058 16.436,1059 1.672,1060 10.293,1061 11.503,1062 6.893,1063 20.448,1064 9.929,1065 3.407,1066 0.048,1067 18.343,1068 0.389,1069 11.367,1070 12.404,1071 7.625,1072 22.903,1073 10.945,1074 2.984,1075 12.546,1076 20.267,1077 0.112,1078 12.588,1079 13.946,1080 8.544,1081 25.424,1082 12.126,1083 2.564,1084 10.191,1085 22.203,1086 3.662,1087 13.737,1088 14.969,1089 9.342,1090 27.919,1091 13.221,1092 2.266,1093 7.13,1094 24.149,1095 3.583,1096 14.944,1097 16.431,1098 10.223,1099 30.436,1100 14.382,1101 2.223,1102 6.405,1103 26.102,1104 3.324,1105 16.127,1106 17.535,1107 11.051,1108 32.947,1109 15.513,1110 2.045,1111 5.743,1112 28.062,1113 2.736,1114 17.333,1115 18.943,1116 11.915,1117 35.466,1118 16.67,1119 1.718,1120 5.183,1121 30.026,1122 2.698,1123 18.532,1124 20.102,1125 12.755,1126 37.984,1127 17.818,1128 12376,1129 22009,1130 21.553,1131 39.29,1132 49.272,1133 50.061,1134 49.612,1135 48.54,1136 48.423,1137 59.098,1138 10.954,1139 135.781,1140 45.895,1141 5.427,1142 5.802,1143 7.117,1144 5.435,1145 5.407,1146 6.662,1147 3.925,1148 19.977,1149 5.242,1150 16.833,1151 1.493,1152 1.517,1153 1.503,1154 1.471,1155 1.467,1156 1.791,1157 0.332,1158 4.115,1159 1.391,1160 3.985,1161 4.011,1162 6.88,1163 3.878,1164 7.474,1165 3.876,1166 3.886,1167 3.908,1168 3.906,1169 3.823,1170 6.351,1171 3.814,1172 3.759,1173 3.803,1174 3.765,1175 3.645,1176 4.952,1177 3.64,1178 3.695,1179 3.729,1180 3.654,1181 3.539,1182 4.863,1183 3.544,1184 3.554,1185 3.6,1186 3.578,1187 3.4,1188 4.718,1189 3.397,1190 3.324,1191 3.353,1192 3.422,1193 3.112,1194 4.393,1195 3.129,1196 2.967,1197 3.016,1198 3.21,1199 2.865,1200 4.324,1201 2.797,1202 2.954,1203 3.009,1204 2.827,1205 2.795,1206 4.066,1207 2.79,1208 0.134,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.427,1214 0.111,1215 3.802,1216 0.071,1217 7.315,1218 0.38,1219 4.361,1220 0.098,1221 3.407,1222 3.662,1223 2.341,1224 12.546,1225 3.242,1226 1.91,1227 1.883,1228 2.047,1229 2.057,1230 1.362,1231 2.051,1232 1.87,1233 1.85,1234 1.961,1235 1.963,1236 1.149,1237 1.97,1238 1.749,1239 1.706,1240 1.926,1241 1.893,1242 1.111,1243 1.906,1244 1.659,1245 1.621,1246 1.86,1247 1.835,1248 1.024,1249 1.845,1250 1.534,1251 1.484,1252 1.771,1253 1.723,1254 0.935,1255 1.741,1256 1.252,1257 1.216,1258 1.494,1259 1.505,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.821,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.205,1276 5.509,1278 7.002,1280 8.584,1282 10.216,1283 3.434,1284 3.901,1289 8.782,1290 1.863,1292 18.705,1294 -0.678,1296 -0.712,1300 36.996,1301 90.821,1302 216.105,1303 286.547,1304 311.566,1305 313.566,1306 313.566,1307 73.366,1308 7.27,1309 77.88,1310 77.88,1311 18,1312 12.482,1313 3.907,1314 3.17,1315 58.015,1316 130,1317 158,1318 0.21,1319 234.077,1320 417.99,1321 562.907,1322 13176,1323 1.7,1324 22.269,1325 0.718,1326 0.623,1327 23.269,1328 19.325,1329 14.848,1330 0.45,1331 0.337,1332 10.24,1333 13.698,1334 9.9,1335 8.194,1336 15.426,1337 11.126,1338 13.682,1339 0.304,1340 0.2,1341 14.499,1342 8.983,1343 10.215,1344 0.189,1345 0.104,1346 10.793,1347 5.594,1348 8.056,1349 0.12,1350 0.056,1351 8.389,1352 3.748,1353 6.683,1354 0.078,1355 0.031,1356 7.154,1357 2.653,1358 0.33,1359 101.602,1360 0.215,1361 29.357,1362 0.574,1363 156,1364 487.391,1365 240.53,1366 491.317,1367 642.53,1368 458,1369 177,1370 425.785,1371 223.595,1372 438.046,1373 637.18,1374 410,1375 7.475} {0 CHEMBL159873,1 1.59,2 10.32,3 2.689,4 7.232,5 97.589,6 7.815,7 0.407,8 3.922,9 4.013,10 3.568,11 3.498,12 5.021,13 3.454,14 4.469,15 4.601,16 3.865,17 3.864,18 5.61,19 3.793,20 4.713,21 4.906,22 3.816,23 3.93,24 5.67,25 3.839,26 4.814,27 5.029,28 3.874,29 3.92,30 5.777,31 3.837,32 4.69,33 4.893,34 3.813,35 3.972,36 5.62,37 3.857,38 4.795,39 5.034,40 3.78,41 4.005,42 5.666,43 3.854,44 4.686,45 4.91,46 3.727,47 3.919,48 5.612,49 3.769,50 4.612,51 4.849,52 3.637,53 3.789,54 5.544,55 3.625,56 0.048,57 0.607,58 9.618,59 4.859,60 11.512,61 5.625,62 0.392,63 0.995,64 20.066,65 8.203,66 47.625,67 9.532,68 0.287,69 1.201,70 25.612,71 10.124,72 48.303,73 12.599,74 0.634,75 1.265,76 32.677,77 10.731,78 63.004,79 12.984,80 0.276,81 1.211,82 24.652,83 10.117,84 40.565,85 12.894,86 0.422,87 1.356,88 32.01,89 11.55,90 48.641,91 14.74,92 0.338,93 1.201,94 27.321,95 10.433,96 48.054,97 13.07,98 0.349,99 1.133,100 29.456,101 9.867,102 43.276,103 12.11,104 11,105 35,106 0.274,107 0.63,108 0.84,109 0.916,110 0.923,111 0.923,112 3.267,113 1.027,114 -3.55,115 -3.52,116 -3.36,118 41.3,120 3,121 1,124 1,126 1,127 1,133 2,140 3,141 2,143 2,149 2,154 1,163 1,167 1,168 8,169 1,171 1,172 8,175 1,177 1,180 8,181 1,186 7,191 1,194 5,195 1,197 1,198 8,203 1,206 7,207 1,210 5,215 1,218 8,219 1,221 1,222 6,227 1,229 9,230 1,234 5,239 1,242 8,247 2,248 2,255 6,256 1,258 2,259 2,262 2,264 1,267 4,268 1,270 1094,271 17.173,272 17.173,273 17.173,274 17.173,275 17.173,276 15.383,277 16.608,278 10.689,279 17.541,280 13.386,281 13.386,282 13.386,283 13.386,284 13.386,285 10.859,286 18.423,287 5.135,288 13.954,289 3.934,290 1.872,291 0.658,292 0.217,293 0.174,294 0.174,295 3.952,298 1,299 1,300 1,301 547,302 3.24,305 76.77,306 164.457,313 1.613,314 25.484,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 54.5,326 258,327 4.222,328 3.597,329 6.543,330 4.053,331 3.083,332 3.622,333 2.341,334 10.36,335 2.983,336 4.026,337 3.586,338 6.091,339 3.72,340 2.737,341 3.537,342 1.902,343 8.867,344 2.692,345 3.567,346 3.113,347 5.242,348 3.254,349 2.26,350 2.74,351 0.869,352 6.385,353 2.236,354 3.518,355 2.408,356 4.659,357 3.211,358 2.219,359 2.698,360 0.22,361 5.183,362 2.187,363 3.148,364 2.14,365 4.505,366 2.746,367 1.814,368 2.236,370 4.637,371 1.688,372 3,373 1.936,374 4.116,375 2.582,376 1.623,377 2.125,379 3.67,380 1.543,381 2.822,382 1.862,383 3.636,384 2.445,385 1.476,386 1.871,388 3.143,389 1.422,390 2.5,391 1.43,392 3.48,393 1.958,394 1,395 1.5,397 2.482,398 0.955,399 2.264,400 1.248,401 3.308,402 1.914,403 1,404 1.2,406 2.144,407 0.905,408 2.164,409 1.034,410 3.247,411 1.854,412 0.948,413 1.128,415 2.136,416 0.84,417 2.118,418 1,419 3.02,420 1.685,421 0.726,422 0.927,424 1.592,425 0.684,426 1.912,427 0.72,428 3,429 1.498,430 0.618,431 0.812,433 1.372,434 0.53,435 1.284,436 0.618,437 2.56,438 1.021,439 0.052,440 0.061,442 0.122,443 0.05,444 0.772,445 0.313,446 2.433,447 0.545,448 -0.43,449 -0.46,451 -0.991,452 -0.414,453 0.592,454 0.077,455 2.162,456 0.283,457 -0.654,458 -0.724,460 -1.613,461 -0.602,462 12.067,463 0.483,464 0.435,465 0.017,466 28,467 1.12,468 12.5,469 0.5,470 15.5,471 0.62,472 22.148,473 0.886,474 27.533,475 0.599,476 19.241,477 0.77,478 5.506,479 0.22,480 6.732,481 0.269,482 0.055,484 0.249,487 0.817,488 1.144,489 0.757,490 0.998,491 0.741,492 0.952,493 0.926,494 1.102,495 1.053,496 1.09,497 0.557,498 1.078,499 1.022,500 1.135,501 0.877,502 1.045,503 0.904,504 1.1,505 1.359,506 0.812,507 0.88,508 0.815,509 0.855,510 0.852,511 0.824,512 1.047,513 0.814,514 0.932,515 0.59,516 1.049,517 0.743,518 0.913,519 0.984,520 0.937,521 0.576,522 0.973,523 0.862,524 0.997,525 0.948,526 0.944,527 0.806,528 1.031,529 0.889,530 1.044,531 1.178,532 1.105,533 0.847,534 1.011,535 3.5,536 0.098,537 2.222,538 0.903,539 0.814,540 0.715,541 0.353,542 0.181,543 0.175,544 0.133,545 7134,546 22328,547 2.085,548 45.7,549 4,550 8,551 3,552 2,553 1,554 2,556 1,558 1.683,559 2,560 3.339,561 -0.317,562 1,563 1,567 73.135,568 1.59,569 3.652,570 4.866,571 5.306,572 5.35,573 5.35,574 2.774,575 4.054,576 4.605,577 3.53,578 1059.05,579 7.988,580 13155.9,582 1,584 1,585 254.084,586 1.164,587 4.597,588 0.13,589 0.007,590 0.063,591 0.027,592 0.025,593 0.022,594 0.011,595 0.006,596 0.007,597 0.007,598 0.306,599 0.33,600 1,601 1.592,602 121.361,603 -0.05,604 -0.049,605 0.058,606 0.02,607 -0.063,608 0.024,609 0.091,610 -0.052,611 -0.123,612 -0.079,613 0.142,614 -0.12,615 -0.075,616 -0.184,617 -0.068,618 -0.153,619 -0.081,620 -0.136,621 -0.12,622 0.116,623 0.037,624 0.081,625 -0.057,626 0.092,627 -0.061,628 -0.079,629 -0.02,630 -0.031,631 -0.005,632 -0.066,633 -0.019,634 0.076,635 -0.025,636 0.033,637 -0.008,638 0.029,639 -0.079,640 -0.031,641 -0.02,642 0.021,643 -0.087,644 -0.031,645 -0.063,646 -0.043,647 -0.033,648 -0.032,649 -0.076,650 0.002,651 2.444,652 3.57,653 0.68,654 25.99,655 1.007,656 1.118,657 2.315,658 5.36,659 0.676,660 3.332,661 3.584,662 3.807,663 4.043,664 4.22,665 4.304,666 4.443,667 4.533,668 4.564,669 4.5,670 6.308,671 0.638,672 359.48,673 3.332,674 4.828,675 5.645,676 6.491,677 7.334,678 8.192,679 9.048,680 9.914,681 10.779,682 11.65,683 2.2,693 1,699 7,700 1,703 1,704 2,706 11,724 46,726 13,728 27,730 48,731 19,733 9,739 3,740 3,748 1,749 1,751 4,753 12,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 21,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,801 1,802 2,818 1,822 2,830 1,831 2,832 3,834 1,840 25,845 1,846 4,848 2,850 3,856 1,862 8.7,864 1,865 1,866 2,869 12.5,870 7.817,871 5.667,872 2.683,874 1.719,875 1.25,876 0.931,877 6.594,878 8.586,879 3.57,880 4.021,881 4.432,882 4.884,883 5.155,884 5.236,885 5.534,886 5.835,887 6.103,888 6.304,889 0.857,890 33,891 9.262,893 3.881,894 7.813,895 17.723,897 14.446,899 2.313,900 57.833,903 1,904 235.422,905 131.888,906 16.786,908 89.828,910 31.278,911 100.611,912 325.25,913 16.786,915 12.196,916 63.039,917 131.066,918 24.466,919 35.313,920 207.844,922 235.422,923 117.396,924 89.828,925 31.278,927 223.651,928 79.599,929 22,930 0.36,931 30.291,932 51.008,933 35.738,934 31.278,935 235.422,936 106.614,937 131.888,940 235.782,941 50.755,942 80.774,944 106.614,945 235.422,946 106.614,947 131.888,949 0.558,950 0.308,951 0.168,952 0.088,953 15,954 6,955 0.146,956 7,958 1,959 3.806,960 195.853,962 17,963 116.096,964 1,968 18.088,969 9.114,970 5.129,972 106.614,973 13.585,974 4.209,977 1.621,978 2.073,980 42.683,981 473.924,982 34.5,987 10.57,989 3.938,991 -0.777,994 46.323,995 51.408,996 0.288,997 0.661,998 0.881,999 0.961,1000 0.969,1001 0.969,1002 4.769,1003 1,1004 5.58,1005 3.143,1006 4.263,1007 4.705,1008 2.863,1009 6.319,1010 4.188,1011 5.9,1012 1,1013 7.084,1014 2.482,1015 3.611,1016 4.06,1017 2.521,1018 7.111,1019 3.571,1020 7.143,1021 0.948,1022 8.698,1023 2.144,1024 5.765,1025 6.643,1026 4.05,1027 10.225,1028 5.643,1029 8.417,1030 0.726,1031 10.382,1032 2.136,1033 6.019,1034 6.873,1035 4.358,1036 11.94,1037 5.911,1038 9.724,1039 0.618,1040 12.114,1041 1.592,1042 7.566,1043 8.847,1044 5.485,1045 14.536,1046 7.397,1047 11.054,1048 0.052,1049 13.881,1050 1.372,1051 8.256,1052 9.513,1053 6.075,1054 16.606,1055 8.081,1056 12.402,1057 -0.43,1058 15.671,1059 0.122,1060 9.546,1061 11.199,1062 7.037,1063 19.027,1064 9.323,1065 3.083,1066 -0.654,1067 17.478,1068 -0.991,1069 10.453,1070 12.105,1071 7.759,1072 21.242,1073 10.21,1074 2.737,1075 10.36,1076 19.298,1077 -1.613,1078 11.632,1079 13.634,1080 8.65,1081 23.599,1082 11.348,1083 2.26,1084 8.867,1085 21.128,1086 3.622,1087 12.646,1088 14.68,1089 9.435,1090 25.875,1091 12.333,1092 2.219,1093 6.385,1094 22.965,1095 3.537,1096 13.781,1097 16.118,1098 10.298,1099 28.211,1100 13.431,1101 1.814,1102 5.183,1103 24.807,1104 2.74,1105 14.845,1106 17.248,1107 11.114,1108 30.514,1109 14.463,1110 1.623,1111 4.637,1112 26.654,1113 2.698,1114 15.964,1115 18.63,1116 11.966,1117 32.843,1118 15.546,1119 1.476,1120 3.67,1121 28.504,1122 2.236,1123 17.054,1124 19.811,1125 12.798,1126 35.16,1127 16.602,1128 7015,1129 12482,1130 18.375,1131 31.085,1132 39.869,1133 39.66,1134 39.471,1135 39.035,1136 39.112,1137 48.913,1138 10.663,1139 104.186,1140 37.428,1141 5.222,1142 5.597,1143 6.345,1144 5.127,1145 5.083,1146 6.622,1147 3.925,1148 17.109,1149 4.943,1150 9.66,1151 1.477,1152 1.469,1153 1.462,1154 1.446,1155 1.449,1156 1.812,1157 0.395,1158 3.859,1159 1.386,1160 3.983,1161 4.006,1162 4.208,1163 3.925,1164 7.474,1165 3.884,1166 3.833,1167 3.85,1168 3.873,1169 3.813,1170 6.351,1171 3.777,1172 3.752,1173 3.795,1174 3.653,1175 3.643,1176 4.94,1177 3.635,1178 3.604,1179 3.638,1180 3.53,1181 3.439,1182 4.801,1183 3.442,1184 3.352,1185 3.371,1186 3.29,1187 3.139,1188 4.524,1189 3.156,1190 3.01,1191 3.042,1192 2.984,1193 2.815,1194 4.363,1195 2.801,1196 2.962,1197 3.013,1198 2.826,1199 2.789,1200 4.066,1201 2.785,1202 2.781,1203 2.85,1204 2.642,1205 2.539,1206 3.808,1207 2.543,1208 0.156,1209 0.133,1210 0.242,1211 0.15,1212 0.114,1213 4.222,1214 0.134,1215 3.597,1216 0.087,1217 6.543,1218 0.384,1219 4.053,1220 0.11,1221 3.083,1222 3.622,1223 2.341,1224 10.36,1225 2.983,1226 1.904,1227 1.875,1228 2.043,1229 2.044,1230 1.358,1231 2.042,1232 1.749,1233 1.705,1234 1.926,1235 1.893,1236 1.136,1237 1.906,1238 1.626,1239 1.599,1240 1.802,1241 1.814,1242 0.936,1243 1.807,1244 1.499,1245 1.459,1246 1.675,1247 1.644,1248 0.882,1249 1.653,1250 1.316,1251 1.322,1252 1.477,1253 1.468,1254 0.632,1255 1.473,1256 1.233,1257 1.202,1258 1.273,1259 1.305,1260 0.557,1261 1.398,1262 0.94,1263 0.888,1264 1.215,1265 1.167,1266 0.397,1267 1.179,1268 0.834,1269 0.784,1270 1.15,1271 1.163,1272 0.283,1273 1.166,1274 4.007,1276 5.273,1277 2.398,1278 6.727,1279 4.443,1280 8.277,1281 6.293,1282 9.884,1289 8.692,1290 2.054,1292 12.159,1294 -0.291,1300 29.336,1301 73.135,1302 167.991,1303 223.819,1304 244.084,1305 246.084,1306 246.084,1307 46.469,1308 6.867,1309 68.65,1310 96.89,1311 17,1312 12.195,1313 3.807,1314 3.087,1315 41.633,1316 88,1317 110,1318 0.219,1319 184.263,1320 324.57,1321 441.362,1322 7754,1324 17.485,1325 0.699,1326 0.584,1327 17.838,1328 14.601,1329 12.237,1330 0.453,1331 0.342,1332 8.265,1333 11.282,1334 8.034,1335 6.619,1336 12.737,1337 9.239,1338 10.472,1339 0.299,1340 0.193,1341 10.969,1342 6.745,1343 8.267,1344 0.188,1345 0.11,1346 8.781,1347 4.82,1348 6.793,1349 0.121,1350 0.063,1351 7.39,1352 3.509,1353 5.171,1354 0.077,1355 0.032,1356 5.497,1357 2.162,1358 0.343,1359 81.803,1360 0.233,1361 24.483,1362 0.606,1363 124,1364 395.862,1365 156.729,1366 390.446,1367 514.18,1368 366,1369 141,1370 337.836,1371 169.159,1372 351.743,1373 511.94,1374 329,1375 6.301} {0 CHEMBL159876,1 1.483,2 12.613,3 4.603,4 21.189,5 117.074,6 7.009,7 0.364,8 4.179,9 4.289,10 3.675,11 3.702,12 5.268,13 3.671,14 4.748,15 4.91,16 4.031,17 4.096,18 5.856,19 4.04,20 5.06,21 5.254,22 4.1,23 4.273,24 6.056,25 4.182,26 5.263,27 5.517,28 4.037,29 4.288,30 6.15,31 4.178,32 5.082,33 5.29,34 4.077,35 4.332,36 5.989,37 4.215,38 5.287,39 5.554,40 4.065,41 4.372,42 6.12,43 4.232,44 5.178,45 5.418,46 4.017,47 4.311,48 6.091,49 4.178,50 5.184,51 5.46,52 3.928,53 4.226,54 6.18,55 4.085,56 0.033,57 0.86,58 13.338,59 6.365,60 14.055,61 7.998,62 0.389,63 1.391,64 25.556,65 10.472,66 59.942,67 13.565,68 0.302,69 1.808,70 35.814,71 14.062,72 68.545,73 18.412,74 0.944,75 1.89,76 47.762,77 15.521,78 106.056,79 20.966,80 0.224,81 1.808,82 35.977,83 14.771,84 52.86,85 20.1,86 0.628,87 2.065,88 47.361,89 16.791,90 91.047,91 23.623,92 0.444,93 1.948,94 41.477,95 15.445,96 75.021,97 21.215,98 0.935,99 1.981,100 44.087,101 14.63,102 122.246,103 20.396,104 32,105 45,106 0.241,107 0.571,108 0.773,109 0.857,110 0.87,111 0.87,112 3.472,113 0.967,114 -4.87,115 -4.78,116 -4.49,118 41,119 2,120 4,121 1,122 1,124 1,126 1,127 1,133 2,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 8,175 1,177 1,180 16,181 1,186 11,191 1,194 13,195 1,197 1,198 8,203 1,206 13,207 1,210 9,215 1,218 16,219 1,221 1,222 10,227 1,229 13,230 1,234 7,239 1,242 16,247 2,248 2,255 16,256 1,258 2,259 4,262 2,264 1,267 14,268 1,270 1906,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 18.538,277 19.682,278 12.406,279 20.727,280 16.32,281 16.32,282 16.32,283 16.32,284 16.32,285 13.55,286 18.724,287 5.962,288 16.708,289 4.448,290 2.417,291 1.177,292 0.66,293 0.582,294 0.582,295 4.152,299 1,300 1,301 813,302 4.243,306 338.259,313 2.092,314 37.575,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 68,326 391,327 4.427,328 3.675,329 7.315,330 4.402,331 3.407,332 3.662,333 2.341,334 12.546,335 3.389,336 4.142,337 3.597,338 6.5,339 3.96,340 2.984,341 3.583,342 1.465,343 10.191,344 2.905,345 3.956,346 3.264,347 5.443,348 3.541,349 2.564,350 3.324,351 0.811,352 7.13,353 2.506,354 3.567,355 2.926,356 5.246,357 3.257,358 2.266,359 2.736,361 6.405,362 2.238,363 3.516,364 2.579,365 4.965,366 3.219,367 2.223,368 2.698,370 5.743,371 2.194,372 3.363,373 2.389,374 4.679,375 3,376 2.045,377 2.61,379 5.183,380 1.931,381 3.115,382 2.147,383 4.658,384 2.697,385 1.718,386 2.201,388 4.841,389 1.675,390 2.85,391 1.916,392 4.127,393 2.52,394 1.557,395 1.929,397 3.652,398 1.501,399 2.604,400 1.858,401 3.637,402 2.439,403 1.457,404 1.596,406 3.137,407 1.42,408 2.5,409 1.4,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.215,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1,428 3.263,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.247,438 1.773,439 0.779,440 0.833,442 1.672,443 0.77,444 1.38,445 0.742,446 3.012,447 1.116,448 0.162,449 0.187,451 0.389,452 0.151,453 1.264,454 0.659,455 2.687,456 1.018,457 0.048,458 0.055,460 0.112,461 0.046,462 14.519,463 0.468,464 0.824,465 0.027,466 33.25,467 1.073,468 14.5,469 0.468,470 18.75,471 0.605,472 33.058,473 1.066,474 35.281,475 0.578,476 26.009,477 0.839,478 6.49,479 0.209,480 8.358,481 0.27,482 0.134,483 0.034,484 0.241,486 1,487 0.717,488 1.139,489 0.833,490 1.183,491 0.66,492 1.062,493 0.78,494 1.035,495 0.917,496 1.083,497 0.521,498 1.04,499 0.98,500 1.204,501 1.101,502 1.3,503 0.85,504 1.242,505 1.291,506 0.632,507 1.011,508 0.69,509 0.741,510 0.778,511 0.62,512 1.081,513 1.015,514 1.28,515 0.416,516 1.244,517 0.769,518 0.799,519 0.903,520 0.899,521 0.544,522 0.923,523 0.826,524 1.043,525 1.017,526 1.104,527 0.657,528 1.107,529 0.94,530 0.864,531 0.994,532 0.824,533 1.023,534 0.89,535 7,536 0.21,537 3.556,538 1.875,539 1.667,540 1.174,541 0.708,542 0.53,543 0.381,544 0.201,545 12491,546 36827,547 2.004,548 49.2,549 12,550 11,551 1,552 2,553 1,554 2,556 1,558 1.74,559 1.869,560 3.586,561 -0.393,567 90.472,568 1.483,569 3.514,570 4.754,571 5.271,572 5.349,573 5.349,574 3.106,575 4.374,576 4.914,577 3.782,578 1758.84,579 8.614,580 25565.2,582 1,585 361.775,586 1.525,587 4.873,588 0.212,589 0.007,590 0.079,591 0.042,592 0.039,593 0.026,594 0.016,595 0.013,596 0.01,597 0.006,598 0.45,599 0.17,600 1,601 1.543,602 162.053,603 -0.028,604 -0.049,605 0.033,606 -0.022,607 -0.051,608 0.011,609 0.094,610 -0.029,611 0.01,612 -0.013,613 0.125,614 -0.018,615 -0.071,616 -0.209,617 -0.156,618 -0.262,619 -0.063,620 -0.233,621 -0.157,622 0.187,623 0.009,624 0.239,625 -0.057,626 0.172,627 -0.01,628 -0.197,629 -0.121,630 -0.236,631 0.021,632 -0.209,633 -0.014,634 0.055,635 0.052,636 0.061,637 -0.002,638 0.07,639 -0.052,640 -0.152,641 -0.075,642 -0.111,643 -0.033,644 -0.104,645 0.038,646 0.206,647 0.009,648 0.125,649 -0.036,650 0.08,651 2.464,652 5.256,653 0.581,654 37.95,655 1.003,656 1.13,657 3.643,658 13.272,659 0.642,660 3.526,661 3.829,662 4.007,663 4.22,664 4.466,665 4.511,666 4.644,667 4.7,668 4.736,669 4.771,670 7.363,671 0.609,672 427.56,673 3.526,674 5.056,675 5.872,676 6.737,677 7.58,678 8.454,679 9.312,680 10.193,681 11.06,682 11.945,683 1.6,693 1,699 8,700 1,704 3,706 12,723 1,724 61,726 14,727 1,728 33,730 63,731 25,733 11,734 2,735 4,739 3,740 3,745 2,746 1,748 1,749 1,751 5,753 14,754 11,755 1,756 2,761 1,763 2,765 1,769 1,770 1,772 30,773 6,774 1,775 6,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 31,845 1,846 5,848 2,850 3,852 1,861 1,862 6.6,864 1,865 1,866 2,869 16.583,870 11.126,871 6.847,872 3.636,874 1.821,875 1.25,876 0.908,877 8.086,878 9.091,879 3.738,880 4.22,881 4.585,882 5.014,883 5.487,884 5.421,885 5.654,886 5.882,887 6.012,888 6.224,889 0.889,890 45,891 11.537,893 4.877,894 7.901,895 21.945,897 18.002,899 2.401,900 74.417,903 1,904 341.362,905 143.047,906 16.786,908 89.828,909 14.96,911 143.047,912 431.19,913 31.746,914 17.65,915 14.731,916 76.17,917 131.066,918 33.587,919 26.731,920 306.049,922 341.362,923 159.833,924 104.788,927 344.551,928 79.599,929 22,930 0.36,931 50.476,932 73.26,933 35.738,935 356.322,936 106.614,937 143.047,940 341.722,941 31.133,942 111.555,944 121.574,945 341.362,946 121.574,947 143.047,949 0.576,950 0.31,951 0.157,952 0.092,953 19,954 9,955 0.143,956 9,958 1,959 4.195,960 265.964,962 18,963 145.58,968 23.277,969 10.768,970 6.799,972 121.574,973 13.992,974 4.247,978 1.778,980 42.683,981 605.983,982 41,987 10.679,989 3.909,991 -0.798,994 61.178,995 68.904,996 0.25,997 0.592,998 0.802,999 0.889,1000 0.902,1001 0.902,1002 4.977,1003 1.557,1004 5.872,1005 4.841,1006 4.511,1007 4.905,1008 2.719,1009 6.678,1010 4.465,1011 6.152,1012 1.457,1013 7.434,1014 3.652,1015 4.205,1016 4.559,1017 2.243,1018 7.84,1019 4.155,1020 7.436,1021 1,1022 9.117,1023 3.137,1024 6.138,1025 6.887,1026 3.865,1027 10.866,1028 6.063,1029 8.75,1030 1,1031 10.878,1032 2.477,1033 6.661,1034 7.256,1035 4.112,1036 12.907,1037 6.59,1038 10.095,1039 1,1040 12.695,1041 2.275,1042 8.113,1043 9.13,1044 5.308,1045 15.553,1046 8.022,1047 11.462,1048 0.779,1049 14.551,1050 2.136,1051 9.014,1052 9.839,1053 5.889,1054 17.902,1055 8.929,1056 12.846,1057 0.162,1058 16.436,1059 1.672,1060 10.293,1061 11.503,1062 6.893,1063 20.448,1064 10.194,1065 3.407,1066 0.048,1067 18.343,1068 0.389,1069 11.367,1070 12.404,1071 7.625,1072 22.903,1073 11.27,1074 2.984,1075 12.546,1076 20.267,1077 0.112,1078 12.588,1079 13.946,1080 8.543,1081 25.424,1082 12.483,1083 2.564,1084 10.191,1085 22.203,1086 3.662,1087 13.737,1088 14.969,1089 9.342,1090 27.919,1091 13.633,1092 2.266,1093 7.13,1094 24.149,1095 3.583,1096 14.944,1097 16.431,1098 10.223,1099 30.436,1100 14.834,1101 2.223,1102 6.405,1103 26.102,1104 3.324,1105 16.127,1106 17.535,1107 11.051,1108 32.947,1109 16.016,1110 2.045,1111 5.743,1112 28.062,1113 2.736,1114 17.333,1115 18.943,1116 11.915,1117 35.466,1118 17.219,1119 1.718,1120 5.183,1121 30.026,1122 2.698,1123 18.532,1124 20.102,1125 12.755,1126 37.984,1127 18.416,1128 12376,1129 21337,1130 21.553,1131 39.182,1132 49.272,1133 50.183,1134 49.612,1135 48.445,1136 48.423,1137 59.098,1138 9.234,1139 135.781,1140 47.168,1141 5.427,1142 5.675,1143 7.117,1144 5.474,1145 5.407,1146 6.662,1147 3.925,1148 19.977,1149 5.389,1150 16.833,1151 1.493,1152 1.521,1153 1.503,1154 1.468,1155 1.467,1156 1.791,1157 0.28,1158 4.115,1159 1.429,1160 4.004,1161 4.033,1162 3.932,1163 3.906,1164 8.201,1165 3.906,1166 3.906,1167 3.939,1168 3.844,1169 3.821,1170 7.474,1171 3.822,1172 3.76,1173 3.803,1174 3.665,1175 3.646,1176 6.351,1177 3.641,1178 3.706,1179 3.745,1180 3.604,1181 3.574,1182 4.931,1183 3.572,1184 3.567,1185 3.614,1186 3.448,1187 3.414,1188 4.755,1189 3.413,1190 3.331,1191 3.358,1192 3.224,1193 3.117,1194 4.623,1195 3.136,1196 3.019,1197 3.084,1198 2.916,1199 2.853,1200 4.372,1201 2.852,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.112,1207 2.791,1208 0.134,1209 0.111,1210 0.222,1211 0.133,1212 0.103,1213 4.427,1214 0.111,1215 3.675,1216 0.071,1217 7.315,1218 0.38,1219 4.402,1220 0.103,1221 3.407,1222 3.662,1223 2.341,1224 12.546,1225 3.389,1226 1.945,1227 1.917,1228 2.08,1229 2.071,1230 1.383,1231 2.072,1232 1.893,1233 1.862,1234 2.028,1235 2.001,1236 1.308,1237 2.011,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.134,1243 1.906,1244 1.686,1245 1.646,1246 1.878,1247 1.848,1248 1.006,1249 1.856,1250 1.547,1251 1.499,1252 1.775,1253 1.734,1254 0.935,1255 1.749,1256 1.255,1257 1.221,1258 1.495,1259 1.508,1260 0.649,1261 1.497,1262 1,1263 0.934,1264 1.417,1265 1.239,1266 0.486,1267 1.308,1268 0.94,1269 0.888,1270 1.318,1271 1.222,1272 0.469,1273 1.254,1274 4.205,1276 5.509,1278 7.002,1280 8.584,1282 10.216,1284 4.181,1286 13.256,1289 8.777,1290 2.58,1292 12.63,1294 -0.498,1296 -0.319,1300 37.166,1301 90.472,1302 214.335,1303 290.001,1304 321.51,1305 326.265,1306 326.265,1307 82.338,1308 7.27,1309 68.65,1310 68.65,1311 18,1312 12.482,1313 3.907,1314 3.17,1315 58.015,1316 130,1317 158,1318 0.21,1319 228.957,1320 413.29,1321 550.415,1322 13176,1323 1.6,1324 22.269,1325 0.718,1326 0.582,1327 21.399,1328 18.038,1329 14.848,1330 0.45,1331 0.322,1332 10.492,1333 14.279,1334 10.181,1335 8.463,1336 14.454,1337 10.632,1338 13.682,1339 0.304,1340 0.193,1341 13.061,1342 8.7,1343 10.215,1344 0.189,1345 0.102,1346 9.805,1347 5.514,1348 8.056,1349 0.12,1350 0.058,1351 7.914,1352 3.886,1353 6.683,1354 0.078,1355 0.031,1356 6.388,1357 2.693,1358 0.33,1359 93.335,1360 0.215,1361 29.357,1362 0.574,1363 156,1364 511.113,1365 173.618,1366 457.737,1367 596.21,1368 426,1369 177,1370 406.113,1371 193.701,1372 405.511,1373 587.82,1374 378,1375 7.347} {0 CHEMBL160467,1 1.511,2 10.32,3 2.423,4 5.869,5 91.023,6 7.465,7 0.407,8 3.932,9 4.023,10 3.49,11 3.423,12 5.061,13 3.424,14 4.48,15 4.613,16 3.81,17 3.784,18 5.649,19 3.761,20 4.727,21 4.918,22 3.796,23 3.885,24 5.719,25 3.815,26 4.79,27 5.003,28 3.785,29 3.875,30 5.771,31 3.812,32 4.717,33 4.918,34 3.756,35 3.908,36 5.671,37 3.83,38 4.78,39 5.013,40 3.715,41 3.923,42 5.692,43 3.818,44 4.712,45 4.937,46 3.624,47 3.825,48 5.673,49 3.726,50 4.592,51 4.824,52 3.491,53 3.682,54 5.568,55 3.582,56 0.078,57 0.601,58 9.447,59 4.586,60 12.972,61 5.461,62 0.451,63 0.956,64 18.473,65 7.364,66 51.687,67 9.051,68 0.609,69 1.153,70 25.704,71 9.373,72 59.827,73 12.2,74 0.622,75 1.183,76 28.588,77 9.597,78 63.75,79 12.527,80 0.455,81 1.169,82 25.36,83 9.377,84 48.979,85 12.268,86 0.491,87 1.251,88 27.694,89 9.861,90 52.764,91 13.59,92 0.542,93 1.124,94 26.282,95 9.167,96 58.743,97 12.305,98 0.409,99 1.004,100 23.231,101 7.995,102 47.132,103 10.929,104 11,105 35,106 0.261,107 0.633,108 0.835,109 0.916,110 0.923,111 0.923,112 3.267,113 0.923,114 -2.77,115 -2.79,116 -2.7,118 41.3,120 3,121 1,124 1,126 1,127 1,133 2,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 8,169 1,171 1,172 8,175 1,177 1,180 6,181 1,185 2,186 7,191 1,194 5,195 1,197 1,198 8,203 1,206 5,207 1,210 7,215 1,218 6,219 1,221 1,222 7,227 1,229 7,230 1,233 1,234 7,239 1,242 7,247 3,248 2,255 5,256 1,258 2,259 3,262 2,264 1,267 3,268 1,270 1094,271 17.173,272 17.173,273 17.173,274 17.173,275 17.173,276 15.383,277 16.608,278 10.689,279 17.33,280 13.386,281 13.386,282 13.386,283 13.386,284 13.386,285 10.859,286 18.423,287 5.135,288 13.65,289 4.012,290 1.855,291 0.685,292 0.217,293 0.174,294 0.174,295 3.952,298 1,299 1,300 1,301 547,302 3.24,305 76.77,306 164.457,313 1.613,314 28.554,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 55.5,326 258,327 4.222,328 3.597,329 6.543,330 4.054,331 3.083,332 3.622,333 2.341,334 10.36,335 2.989,336 4.026,337 3.586,338 6.091,339 3.734,340 2.737,341 3.537,342 1.902,343 8.867,344 2.727,345 3.567,346 3.113,347 5.242,348 3.255,349 2.26,350 2.74,351 0.869,352 6.385,353 2.236,354 3.518,355 2.408,356 4.659,357 3.213,358 2.219,359 2.698,360 0.22,361 5.183,362 2.19,363 3.148,364 2.14,365 4.505,366 2.805,367 1.814,368 2.236,370 4.637,371 1.794,372 3,373 1.936,374 4.116,375 2.6,376 1.623,377 2.125,379 3.67,380 1.585,381 2.822,382 1.862,383 3.636,384 2.446,385 1.476,386 1.871,388 3.143,389 1.422,390 2.5,391 1.43,392 3.48,393 1.959,394 1,395 1.5,397 2.482,398 0.956,399 2.264,400 1.248,401 3.308,402 1.932,403 1,404 1.2,406 2.144,407 0.929,408 2.164,409 1.034,410 3.247,411 1.908,412 0.948,413 1.128,415 2.136,416 0.899,417 2.118,418 1,419 3.02,420 1.726,421 0.726,422 0.927,424 1.592,425 0.723,426 1.912,427 0.72,428 3,429 1.618,430 0.618,431 0.812,433 1.372,434 0.618,435 1.284,436 0.618,437 2.56,438 1.026,439 0.052,440 0.061,442 0.122,443 0.05,444 0.772,445 0.313,446 2.433,447 0.547,448 -0.43,449 -0.46,451 -0.991,452 -0.415,453 0.592,454 0.077,455 2.162,456 0.291,457 -0.654,458 -0.724,460 -1.613,461 -0.609,462 11.567,463 0.463,464 0.435,465 0.017,466 28.5,467 1.14,468 12.5,469 0.5,470 16,471 0.64,472 20.874,473 0.835,474 28.033,475 0.609,476 20.515,477 0.821,478 5.9,479 0.236,480 6.337,481 0.253,482 0.058,484 0.259,487 0.843,488 1.287,489 0.778,490 1.199,491 0.744,492 1.012,493 0.967,494 1.171,495 1.005,496 1.155,497 0.592,498 1.098,499 0.93,500 1.083,501 1.019,502 1.093,503 0.897,504 1.083,505 1.178,506 0.891,507 0.999,508 0.907,509 0.824,510 0.912,511 0.997,512 1.047,513 1.029,514 1.026,515 0.664,516 1.036,517 0.769,518 0.98,519 0.964,520 0.993,521 0.603,522 1.014,523 0.974,524 0.943,525 1.023,526 0.951,527 0.833,528 0.994,529 0.927,530 1.06,531 1,532 1.029,533 0.874,534 1.03,535 3.5,536 0.098,537 2.222,538 0.903,539 0.814,540 0.715,541 0.353,542 0.181,543 0.175,544 0.133,545 7134,546 22112,547 2.085,548 45.7,549 4,550 9,551 2,552 2,553 1,554 2,556 1,558 1.683,559 2,560 3.339,561 -0.317,562 1,563 1,567 69.525,568 1.511,569 3.668,570 4.839,571 5.306,572 5.35,573 5.35,574 2.774,575 4.054,576 4.605,577 3.53,578 1059.05,579 7.988,580 13155.9,582 1,584 1,585 254.084,586 1.164,587 4.597,588 0.13,589 0.007,590 0.063,591 0.027,592 0.025,593 0.022,594 0.011,595 0.006,596 0.007,597 0.007,598 0.306,599 0.33,600 1,601 1.592,602 121.361,603 -0.057,604 -0.125,605 0.045,606 -0.074,607 -0.059,608 -0.005,609 0.05,610 -0.094,611 -0.092,612 -0.113,613 0.123,614 -0.13,615 0.038,616 -0.098,617 -0.06,618 -0.093,619 -0.06,620 -0.099,621 -0.117,622 0.062,623 0.003,624 0.058,625 -0.046,626 0.058,627 -0.122,628 -0.049,629 -0.083,630 -0.021,631 -0.039,632 -0.04,633 -0.025,634 0.019,635 -0.016,636 -0.012,637 -0.015,638 -0.01,639 -0.081,640 0.018,641 -0.048,642 0.027,643 -0.079,644 -0.001,645 -0.081,646 -0.092,647 -0.028,648 -0.059,649 -0.085,650 -0.036,651 2.455,652 3.56,653 0.68,654 25.99,655 1.012,656 1.124,657 1.543,658 2.382,659 0.65,660 3.332,661 3.584,662 3.807,663 4.043,664 4.22,665 4.304,666 4.443,667 4.533,668 4.564,669 4.5,670 6.308,671 0.627,672 343.41,673 3.332,674 4.828,675 5.645,676 6.491,677 7.334,678 8.192,679 9.048,680 9.914,681 10.779,682 11.65,683 2.2,693 1,699 7,700 1,702 1,704 2,706 11,724 46,726 13,728 27,730 48,731 19,733 9,739 3,740 3,748 1,749 1,751 4,753 12,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,771 1,772 21,773 6,774 1,775 6,779 1,784 1,785 5,795 1,801 1,802 2,818 1,822 2,830 1,831 2,832 3,840 25,845 1,846 4,848 2,850 3,862 10.9,864 1,865 1,866 2,867 1,869 12.5,870 7.817,871 5.667,872 2.697,874 1.719,875 1.25,876 0.921,877 6.259,878 8.586,879 3.57,880 4.021,881 4.432,882 4.884,883 5.155,884 5.236,885 5.534,886 5.835,887 6.103,888 6.304,889 0.857,890 33,891 9.249,893 3.879,894 7.88,895 17.519,897 14.146,899 2.38,900 59.5,903 1,904 235.422,905 108.792,906 16.786,908 99.335,911 108.792,912 334.757,913 16.786,915 12.196,916 68.957,917 131.066,918 30.788,919 28.991,920 188.338,922 235.422,923 125.577,924 99.335,927 223.651,928 89.107,929 22,930 0.36,931 30.291,932 59.189,933 35.738,935 235.422,936 116.121,937 108.792,940 235.782,941 21.74,942 86.692,944 116.121,945 235.422,946 116.121,947 108.792,949 0.558,950 0.308,951 0.168,952 0.088,953 15,954 6,955 0.146,956 7,958 1,959 3.806,960 195.853,962 17,963 116.096,968 17.711,969 8.835,970 4.938,972 116.121,973 12.636,974 4.184,976 5.393,978 1.635,980 42.683,981 460.335,982 34.5,987 10.56,989 3.893,991 -0.788,994 46.574,995 51.697,996 0.274,997 0.664,998 0.876,999 0.961,1000 0.969,1001 0.969,1002 4.769,1003 1,1004 5.58,1005 3.143,1006 4.263,1007 4.705,1008 2.863,1009 6.319,1010 4.222,1011 5.9,1012 1,1013 7.084,1014 2.482,1015 3.611,1016 4.06,1017 2.521,1018 7.111,1019 3.571,1020 7.143,1021 0.948,1022 8.698,1023 2.144,1024 5.765,1025 6.643,1026 4.05,1027 10.225,1028 5.686,1029 8.417,1030 0.726,1031 10.382,1032 2.136,1033 6.019,1034 6.873,1035 4.358,1036 11.94,1037 5.933,1038 9.724,1039 0.618,1040 12.114,1041 1.592,1042 7.566,1043 8.847,1044 5.485,1045 14.536,1046 7.443,1047 11.054,1048 0.052,1049 13.881,1050 1.372,1051 8.256,1052 9.513,1053 6.075,1054 16.606,1055 8.116,1056 12.402,1057 -0.43,1058 15.671,1059 0.122,1060 9.546,1061 11.199,1062 7.037,1063 19.027,1064 9.372,1065 3.083,1066 -0.654,1067 17.478,1068 -0.991,1069 10.453,1070 12.105,1071 7.759,1072 21.242,1073 10.254,1074 2.737,1075 10.36,1076 19.298,1077 -1.613,1078 11.632,1079 13.634,1080 8.65,1081 23.599,1082 11.401,1083 2.26,1084 8.867,1085 21.128,1086 3.622,1087 12.646,1088 14.68,1089 9.435,1090 25.875,1091 12.386,1092 2.219,1093 6.385,1094 22.965,1095 3.537,1096 13.781,1097 16.118,1098 10.298,1099 28.211,1100 13.488,1101 1.814,1102 5.183,1103 24.807,1104 2.74,1105 14.845,1106 17.248,1107 11.114,1108 30.514,1109 14.521,1110 1.623,1111 4.637,1112 26.654,1113 2.698,1114 15.964,1115 18.63,1116 11.966,1117 32.843,1118 15.607,1119 1.476,1120 3.67,1121 28.504,1122 2.236,1123 17.054,1124 19.811,1125 12.798,1126 35.16,1127 16.665,1128 7015,1129 12425,1130 18.375,1131 29.892,1132 39.869,1133 39.66,1134 39.471,1135 39.128,1136 39.112,1137 48.913,1138 10.663,1139 104.186,1140 38.238,1141 5.222,1142 5.597,1143 6.345,1144 5.126,1145 5.083,1146 6.622,1147 3.925,1148 17.109,1149 4.952,1150 9.66,1151 1.477,1152 1.469,1153 1.462,1154 1.449,1155 1.449,1156 1.812,1157 0.395,1158 3.859,1159 1.416,1160 3.99,1161 4.01,1162 3.927,1163 3.857,1164 7.474,1165 3.866,1166 3.855,1167 3.873,1168 3.797,1169 3.714,1170 6.351,1171 3.733,1172 3.754,1173 3.797,1174 3.647,1175 3.64,1176 5.107,1177 3.634,1178 3.609,1179 3.644,1180 3.507,1181 3.435,1182 4.907,1183 3.441,1184 3.357,1185 3.378,1186 3.262,1187 3.135,1188 4.672,1189 3.157,1190 3.026,1191 3.063,1192 2.89,1193 2.806,1194 4.367,1195 2.816,1196 2.963,1197 3.013,1198 2.826,1199 2.785,1200 4.066,1201 2.788,1202 2.794,1203 2.863,1204 2.619,1205 2.537,1206 3.809,1207 2.545,1208 0.156,1209 0.133,1210 0.242,1211 0.15,1212 0.114,1213 4.222,1214 0.134,1215 3.597,1216 0.087,1217 6.543,1218 0.384,1219 4.054,1220 0.111,1221 3.083,1222 3.622,1223 2.341,1224 10.36,1225 2.989,1226 1.903,1227 1.874,1228 2.042,1229 2.045,1230 1.358,1231 2.042,1232 1.748,1233 1.705,1234 1.926,1235 1.893,1236 1.136,1237 1.906,1238 1.608,1239 1.578,1240 1.797,1241 1.815,1242 0.935,1243 1.803,1244 1.491,1245 1.452,1246 1.673,1247 1.642,1248 0.815,1249 1.643,1250 1.344,1251 1.327,1252 1.533,1253 1.586,1254 0.641,1255 1.573,1256 1.204,1257 1.177,1258 1.404,1259 1.454,1260 0.494,1261 1.434,1262 0.94,1263 0.888,1264 1.215,1265 1.176,1266 0.397,1267 1.179,1268 0.821,1269 0.769,1270 1.15,1271 1.164,1272 0.275,1273 1.163,1274 4.007,1276 5.273,1277 2.398,1278 6.727,1279 4.443,1280 8.277,1281 6.293,1282 9.884,1289 8.682,1290 1.926,1292 11.958,1294 -0.578,1300 28.863,1301 69.525,1302 168.746,1303 222.574,1304 244.084,1305 246.084,1306 246.084,1307 47.034,1308 6.867,1309 81.79,1310 81.79,1311 17,1312 12.195,1313 3.807,1314 3.087,1315 41.633,1316 88,1317 110,1318 0.219,1319 177.128,1320 314.85,1321 423.953,1322 7754,1324 17.485,1325 0.699,1326 0.551,1327 17.485,1328 13.784,1329 12.237,1330 0.453,1331 0.308,1332 8.165,1333 11.651,1334 8.054,1335 6.631,1336 12.237,1337 8.31,1338 10.472,1339 0.299,1340 0.169,1341 10.472,1342 5.923,1343 8.267,1344 0.188,1345 0.093,1346 8.267,1347 4.079,1348 6.793,1349 0.121,1350 0.051,1351 6.793,1352 2.839,1353 5.171,1354 0.077,1355 0.028,1356 5.171,1357 1.865,1358 0.343,1359 77.711,1360 0.233,1361 24.483,1362 0.606,1363 124,1364 424.737,1365 141.33,1366 390.081,1367 515.5,1368 366,1369 141,1370 357.143,1371 158.002,1372 353.584,1373 516.59,1374 332,1375 6.785} {0 CHEMBL160657,1 1.414,2 11.5,3 3.936,4 15.49,5 115.082,6 7.337,7 0.515,8 4.097,9 4.194,10 3.65,11 3.671,12 5.195,13 3.646,14 4.64,15 4.775,16 3.985,17 4.059,18 5.766,19 4.008,20 4.921,21 5.113,22 4.051,23 4.211,24 5.873,25 4.129,26 5.016,27 5.226,28 4.036,29 4.197,30 5.979,31 4.114,32 4.967,33 5.168,34 4.034,35 4.196,36 5.923,37 4.111,38 5.021,39 5.254,40 3.955,41 4.204,42 5.902,43 4.094,44 4.943,45 5.166,46 3.89,47 4.189,48 5.834,49 4.067,50 4.916,51 5.151,52 3.868,53 4.143,54 5.832,55 4.022,56 0.02,57 0.7,58 11.202,59 5.505,60 11.87,61 6.768,62 0.343,63 1.16,64 21.254,65 9.158,66 48.171,67 11.458,68 0.217,69 1.501,70 29.93,71 12.397,72 47.555,73 16.045,74 0.462,75 1.592,76 34.822,77 13.079,78 62.586,79 16.756,80 0.266,81 1.554,82 32.028,83 12.721,84 50.76,85 16.484,86 0.469,87 1.646,88 35.291,89 13.184,90 58.623,91 17.58,92 0.317,93 1.538,94 31.697,95 12.749,96 52.626,97 17.01,98 0.263,99 1.513,100 31.008,101 12.326,102 46.387,103 16.784,104 11,105 44,106 0.232,107 0.562,108 0.759,109 0.872,110 0.912,111 0.924,112 3.441,113 0.931,114 -4.62,115 -4.54,116 -4.27,118 45.5,120 3,121 1,124 1,126 1,127 1,133 2,140 9,141 4,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 8,175 1,177 1,180 20,181 1,186 9,191 1,194 17,195 1,197 1,198 12,203 1,206 13,207 1,210 11,215 1,218 12,219 1,221 1,222 8,227 1,229 15,230 1,234 6,239 1,242 20,247 4,248 2,255 19,256 1,258 2,259 5,262 2,264 1,267 15,268 1,270 1692,271 20.742,272 20.742,273 20.742,274 20.742,275 20.742,276 18.287,277 16.608,278 12.749,279 20.899,280 16.357,281 16.357,282 16.357,283 16.357,284 16.357,285 12.825,286 18.423,287 6.096,288 16.622,289 4.367,290 2.354,291 1.155,292 0.464,293 0.218,294 0.145,295 4.143,299 1,300 1,301 745,302 3.391,306 347.422,310 138.455,313 1.9,314 27.694,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 64.5,326 345,327 4.536,328 3.614,329 6.711,330 4.154,331 3.167,332 4.447,333 2.341,334 10.919,335 3.133,336 4.176,337 3.597,338 6.495,339 3.959,340 2.977,341 3.583,342 1.902,343 10.173,344 2.912,345 3.72,346 3.198,347 5.733,348 3.415,349 2.423,350 3.069,351 0.869,352 7.689,353 2.405,354 3.563,355 2.735,356 5.241,357 3.25,358 2.248,359 2.731,360 0.22,361 6.375,362 2.233,363 3.48,364 2.38,365 4.66,366 3.194,367 2.202,368 2.671,370 5.183,371 2.177,372 3.118,373 2.031,374 4.644,375 2.666,376 1.683,377 2.427,379 4.646,380 1.649,381 3.118,382 1.867,383 4.152,384 2.618,385 1.618,386 2.207,388 3.748,389 1.618,390 2.887,391 1.777,392 4.017,393 2.521,394 1.547,395 2.007,397 3.554,398 1.509,399 2.802,400 1.618,401 3.635,402 2.442,403 1.463,404 1.897,406 3.139,407 1.421,408 2.727,409 1.408,410 3.582,411 2.258,412 1.258,413 1.778,415 2.794,416 1.257,417 2.5,418 1.269,419 3.48,420 1.958,421 1,422 1.5,424 2.478,425 0.955,426 2.206,427 1.22,428 3.284,429 1.913,430 1,431 1.143,433 2.136,434 0.904,435 2.161,436 1,437 3.247,438 1.832,439 0.846,440 1.08,442 1.905,443 0.829,444 1.917,445 0.872,446 3.04,447 1.7,448 0.699,449 0.818,451 1.578,452 0.698,453 1.329,454 0.712,455 2.634,456 1.052,457 0.083,458 0.097,460 0.194,461 0.08,462 14.233,463 0.474,464 0.538,465 0.018,466 37,467 1.233,468 18.5,469 0.617,470 18.5,471 0.617,472 25.901,473 0.863,474 31.967,475 0.581,476 28.214,477 0.94,478 7.473,479 0.249,480 7.247,481 0.242,482 0.047,484 0.281,487 0.798,488 1.116,489 0.796,490 1.049,491 0.739,492 0.944,493 0.898,494 1.073,495 1.003,496 1.067,497 0.568,498 1.053,499 0.97,500 1.081,501 0.978,502 1.085,503 0.868,504 1.044,505 1.306,506 0.921,507 1.042,508 0.941,509 0.819,510 0.95,511 1.084,512 1.116,513 1.021,514 1.1,515 0.626,516 1.06,517 1.059,518 0.87,519 1.02,520 0.88,521 0.668,522 0.93,523 0.89,524 0.987,525 1.036,526 0.988,527 0.781,528 1.03,529 0.756,530 1.01,531 0.948,532 0.983,533 0.738,534 0.994,535 4,536 0.136,537 2.889,538 1.563,539 1.16,540 0.764,541 0.564,542 0.368,543 0.242,544 0.191,545 11791,546 32029,547 2.128,548 45.5,549 4,550 14,551 1,552 2,553 1,554 2,556 1,558 1.733,559 2.045,560 3.478,561 -0.415,563 1,567 77.782,568 1.414,569 3.428,570 4.626,571 5.318,572 5.563,573 5.636,574 2.99,575 4.415,576 4.869,577 3.672,578 1597.35,579 8.524,580 22299.7,582 1,584 1,585 317.975,586 1.159,587 4.862,588 0.121,589 0.006,590 0.066,591 0.034,592 0.026,593 0.017,594 0.014,595 0.009,596 0.006,597 0.006,598 0.306,599 0.17,600 1,601 1.405,602 154.07,603 -0.034,604 -0.035,605 0.044,607 -0.063,608 0.028,609 0.116,610 -0.028,611 -0.091,612 -0.055,613 0.129,614 -0.097,615 -0.054,616 -0.093,617 -0.03,618 -0.084,619 -0.074,620 -0.058,621 -0.104,622 0.047,623 -0.032,624 0.033,625 -0.044,626 0.015,627 -0.072,628 -0.135,629 -0.048,630 -0.113,631 0.004,632 -0.083,633 -0.083,634 0.118,635 -0.025,636 0.09,637 -0.043,638 0.051,639 -0.089,640 -0.008,641 -0.079,642 0.007,643 -0.084,644 -0.029,645 -0.032,646 -0.023,647 0.01,648 0.006,649 -0.043,650 0.012,651 2.449,652 3.684,653 0.733,654 32.56,655 1,656 1.115,657 3.391,658 11.499,659 0.672,660 3.526,661 3.807,662 4.078,663 4.357,664 4.625,665 4.682,666 4.875,667 5.03,668 5.147,669 5.187,670 6.908,671 0.64,672 403.51,673 3.526,674 5.043,675 5.883,676 6.749,677 7.613,678 8.491,679 9.368,680 10.253,681 11.137,682 12.027,683 1.8,693 1,698 2,699 11,700 1,704 2,706 17,724 55,726 19,727 2,728 33,730 58,731 25,733 15,734 3,735 7,739 4,740 5,748 1,749 1,751 4,753 18,754 7,755 1,756 2,761 1,763 2,765 1,769 1,772 25,773 5,774 1,775 5,779 1,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,831 2,832 3,840 30,845 1,846 4,848 2,850 3,862 7.3,864 1,865 1,866 2,869 14.667,870 9.483,871 6.722,872 3.308,874 3.113,875 1.404,876 0.96,877 6.655,878 10.819,879 3.795,880 4.331,881 4.869,882 5.436,883 5.989,884 6.156,885 6.557,886 6.926,887 7.285,888 7.347,889 0.875,890 46,891 11.118,893 4.723,894 7.744,895 21.362,897 17.697,899 2.244,900 67.333,902 1,903 1,904 282.506,905 147.316,906 16.786,908 89.828,911 147.316,912 372.334,913 16.786,915 12.196,916 104.598,917 131.066,918 29.612,919 11.771,920 247.193,922 282.506,923 164.102,924 89.828,927 270.735,928 79.599,929 22,930 0.36,931 30.291,932 97.713,933 35.738,935 282.506,936 106.614,937 147.316,940 282.866,941 24.623,942 122.334,944 106.614,945 282.506,946 106.614,947 147.316,949 0.564,950 0.321,951 0.181,952 0.102,953 20,954 8,955 0.121,956 7,957 1,958 1.091,959 4.189,960 266.047,961 0.091,962 22,963 145.207,968 20.43,969 9.772,970 5.025,971 2.283,972 106.614,973 21.954,974 4.267,978 2.049,980 42.683,981 536.436,982 43.5,987 10.684,989 3.952,991 -0.782,994 55.014,995 61.318,996 0.245,997 0.593,998 0.8,999 0.92,1000 0.962,1001 0.975,1002 5.006,1003 1.547,1004 5.832,1005 3.748,1006 4.489,1007 5.017,1008 2.863,1009 6.616,1010 4.456,1011 6.17,1012 1.463,1013 7.363,1014 3.554,1015 3.892,1016 4.59,1017 2.521,1018 7.496,1019 3.862,1020 7.444,1021 1.258,1022 9.005,1023 3.139,1024 6.033,1025 7.136,1026 4.05,1027 10.638,1028 5.973,1029 8.753,1030 1,1031 10.718,1032 2.794,1033 6.33,1034 7.628,1035 4.358,1036 12.427,1037 6.268,1038 10.099,1039 1,1040 12.479,1041 2.478,1042 7.887,1043 9.606,1044 5.485,1045 15.065,1046 7.8,1047 11.473,1048 0.846,1049 14.273,1050 2.136,1051 8.623,1052 10.584,1053 6.075,1054 17.201,1055 8.528,1056 12.869,1057 0.699,1058 16.091,1059 1.905,1060 9.928,1061 12.298,1062 7.037,1063 19.669,1064 9.813,1065 3.167,1066 0.083,1067 17.926,1068 1.578,1069 10.878,1070 13.534,1071 7.759,1072 21.942,1073 10.753,1074 2.977,1075 10.919,1076 19.773,1077 0.194,1078 12.077,1079 15.123,1080 8.65,1081 24.348,1082 11.934,1083 2.423,1084 10.173,1085 21.629,1086 4.447,1087 13.128,1088 16.489,1089 9.435,1090 26.677,1091 12.973,1092 2.248,1093 7.689,1094 23.492,1095 3.583,1096 14.284,1097 18.021,1098 10.298,1099 29.062,1100 14.115,1101 2.202,1102 6.375,1103 25.361,1104 3.069,1105 15.381,1106 19.45,1107 11.114,1108 31.415,1109 15.2,1110 1.683,1111 5.183,1112 27.234,1113 2.731,1114 16.523,1115 20.958,1116 11.966,1117 33.792,1118 16.328,1119 1.618,1120 4.646,1121 29.111,1122 2.671,1123 17.64,1124 22.418,1125 12.798,1126 36.157,1127 17.434,1128 11313,1129 18713,1130 22.652,1131 36.96,1132 48.934,1133 49.479,1134 49.179,1135 48.409,1136 48.432,1137 62.91,1138 10.663,1139 133.02,1140 47.558,1141 5.536,1142 5.614,1143 6.513,1144 5.226,1145 5.167,1146 7.447,1147 3.925,1148 18.112,1149 5.133,1150 10.94,1151 1.483,1152 1.499,1153 1.49,1154 1.467,1155 1.468,1156 1.906,1157 0.323,1158 4.031,1159 1.441,1160 4.103,1161 4.121,1162 4.056,1163 4.056,1164 7.474,1165 4.053,1166 3.931,1167 3.964,1168 3.863,1169 3.831,1170 6.351,1171 3.834,1172 3.756,1173 3.801,1174 3.653,1175 3.643,1176 4.969,1177 3.637,1178 3.636,1179 3.668,1180 3.54,1181 3.466,1182 4.878,1183 3.473,1184 3.479,1185 3.518,1186 3.378,1187 3.385,1188 4.693,1189 3.376,1190 3.356,1191 3.382,1192 3.256,1193 3.155,1194 4.374,1195 3.174,1196 3.131,1197 3.17,1198 3.021,1199 3.013,1200 4.303,1201 3.009,1202 2.963,1203 3.014,1204 2.827,1205 2.795,1206 4.066,1207 2.791,1208 0.137,1209 0.11,1210 0.203,1211 0.126,1212 0.096,1213 4.536,1214 0.135,1215 3.614,1216 0.071,1217 6.711,1218 0.331,1219 4.154,1220 0.095,1221 3.167,1222 4.447,1223 2.341,1224 10.919,1225 3.133,1226 2.079,1227 2.063,1228 2.161,1229 2.141,1230 1.368,1231 2.147,1232 1.897,1233 1.866,1234 2.036,1235 2.024,1236 1.298,1237 2.028,1238 1.748,1239 1.704,1240 1.926,1241 1.893,1242 1.134,1243 1.906,1244 1.586,1245 1.548,1246 1.79,1247 1.788,1248 0.935,1249 1.785,1250 1.486,1251 1.446,1252 1.671,1253 1.614,1254 0.757,1255 1.632,1256 1.285,1257 1.253,1258 1.508,1259 1.518,1260 0.646,1261 1.512,1262 1.118,1263 1.08,1264 1.323,1265 1.296,1266 0.494,1267 1.3,1268 0.94,1269 0.888,1270 1.215,1271 1.164,1272 0.397,1273 1.179,1274 4.205,1276 5.493,1278 6.991,1280 8.592,1282 10.25,1289 8.784,1290 1.974,1292 12.645,1294 -0.476,1300 35.202,1301 77.782,1302 188.531,1303 254.426,1304 292.465,1305 305.975,1306 309.975,1307 53.672,1308 7.707,1309 68.65,1310 68.65,1311 24,1312 12.558,1313 4.322,1314 3.524,1315 46.846,1316 118,1317 150,1318 0.186,1319 214.511,1320 378.68,1321 515.166,1322 23103,1324 20.761,1325 0.692,1326 0.556,1327 20.761,1328 16.685,1329 14.72,1330 0.446,1331 0.31,1332 10.122,1333 14.265,1334 9.938,1335 8.199,1336 14.72,1337 10.236,1338 12.73,1339 0.289,1340 0.17,1341 12.73,1342 7.476,1343 10.436,1344 0.18,1345 0.093,1346 10.436,1347 5.381,1348 8.898,1349 0.116,1350 0.05,1351 8.898,1352 3.883,1353 7.569,1354 0.075,1355 0.027,1356 7.569,1357 2.757,1358 0.291,1359 91.702,1360 0.21,1361 28.354,1362 0.516,1363 154,1364 445.001,1365 167.787,1366 423.344,1367 571.36,1368 398,1369 179,1370 403.779,1371 192.127,1372 408.333,1373 599.71,1374 385,1375 7.398} {0 CHEMBL160790,1 1.551,2 11.407,3 3.649,4 13.312,5 109.075,6 7.5335,7 0.478,8 4.036,9 4.136,10 3.6455,11 3.59,12 5.16,13 3.5555,14 4.572,15 4.7215,16 3.958,17 3.964,18 5.752,19 3.8945,20 4.823,21 5.0195,22 3.985,23 4.1,24 5.875,25 3.999,26 4.9045,27 5.1215,28 3.932,29 4.077,30 5.9525,31 3.9625,32 4.868,33 5.0835,34 3.909,35 4.064,36 5.897,37 3.9475,38 4.8715,39 5.106,40 3.8905,41 4.048,42 5.925,43 3.9235,44 4.8435,45 5.0895,46 3.811,47 3.999,48 5.8625,49 3.8725,50 4.7625,51 5.008,52 3.744,53 3.923,54 5.804,55 3.794,56 0.056,57 0.739,58 11.127,59 5.071,60 12.1515,61 6.216,62 0.32,63 1.1645,64 20.219,65 8.3495,66 44.435,67 10.754,68 0.339,69 1.398,70 28.904,71 10.7695,72 52.0255,73 14.08,74 0.464,75 1.4445,76 32.507,77 11.515,78 68.0225,79 15.027,80 0.391,81 1.415,82 30.2825,83 11.1185,84 56.3805,85 14.602,86 0.4135,87 1.414,88 31.5765,89 11.2765,90 60.308,91 15.275,92 0.362,93 1.3505,94 30.7755,95 10.9435,96 59.7345,97 14.5905,98 0.3435,99 1.2925,100 29.11,101 10.135,102 52.2205,103 13.4135,104 20,105 39,106 0.262,107 0.5975,108 0.7755,109 0.861,110 0.879,111 0.881,112 3.3745,113 0.975,114 -3.905,115 -3.865,116 -3.665,118 41.7,120 3,124 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 4,175 1,177 1,180 13,181 1,186 7,191 2,194 10,195 1,198 8,203 1,206 9,207 1,210 6,215 1,218 10,219 1,222 6,227 1,229 9,230 1,234 6,239 1,242 8,247 5,252 1,255 7,256 1,259 4,264 1,267 5,268 1,270 1481,271 19.112,272 19.112,273 19.112,274 19.112,275 19.112,276 16.853,277 15.2075,278 11.606,279 19.3865,280 14.782,281 14.782,282 14.782,283 14.782,284 14.782,285 11.65,286 15.256,287 5.441,288 15.3375,289 4.124,290 2.129,291 1.0675,292 0.5365,293 0.4385,294 0.431,295 4.061,299 1,300 1,301 663,302 4.062,305 34.4085,306 216.9495,313 1.7565,314 29.5255,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.86,325 62,326 319,327 4.481,328 3.806,329 6.764,330 4.174,331 3.204,332 4.064,333 2.341,334 11.0785,335 3.0615,336 4.1235,337 3.562,338 6.1085,339 3.785,340 2.802,341 3.585,342 0.86,343 8.878,344 2.746,345 3.882,346 3.003,347 5.4525,348 3.471,349 2.51,350 3.361,352 7.187,353 2.4255,354 3.567,355 2.749,356 5.154,357 3.241,358 2.263,359 2.817,361 6.321,362 2.219,363 3.4205,364 2.465,365 4.8145,366 3.0765,367 2.1295,368 2.6675,370 5.186,371 2.0205,372 3.0855,373 2.063,374 4.5965,375 2.6915,376 1.7335,377 2.2565,379 4.695,380 1.65,381 2.9035,382 1.8435,383 3.8605,384 2.503,385 1.548,386 1.9965,388 3.356,389 1.4595,390 2.651,391 1.5855,392 3.6155,393 2.294,394 1.314,395 1.647,397 2.932,398 1.28,399 2.5,400 1.318,401 3.474,402 2.085,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.356,411 1.9975,412 1,413 1.5,415 2.275,416 0.9835,417 2.205,418 1,419 3.247,420 1.93,421 1,422 1.138,424 2.136,425 0.9235,426 1.922,427 1,428 3.067,429 1.554,430 0.618,431 0.8425,433 1.372,434 0.577,435 1.5115,436 0.681,437 2.859,438 1.295,439 0.324,440 0.3535,442 0.743,443 0.313,444 1.12,445 0.51,446 2.602,447 0.883,448 -0.057,449 -0.065,451 -0.126,452 -0.054,453 1,454 0.3385,455 2.359,456 0.5775,457 -0.2625,458 -0.306,460 -0.5725,461 -0.2375,462 13.5855,463 0.475,464 0.644,465 0.023,466 34,467 1.243,468 16.5,469 0.6235,470 17.25,471 0.618,472 24.3065,473 0.855,474 31.326,475 0.59,476 25.999,477 0.908,478 6.59,479 0.245,480 6.805,481 0.2395,482 0.11,484 0.247,487 0.752,488 1.256,489 0.787,490 1.113,491 0.679,492 0.9795,493 0.6265,494 1.078,495 0.899,496 1.037,497 0.468,498 1.0115,499 0.9145,500 1.067,501 1.027,502 1.077,503 0.845,504 1.055,505 1.064,506 0.991,507 1.028,508 0.999,509 0.97,510 1.001,511 0.944,512 1.01,513 0.9915,514 0.996,515 0.909,516 1.009,517 0.86,518 1.0035,519 0.98,520 1.007,521 0.8215,522 1.023,523 0.882,524 0.989,525 0.992,526 0.979,527 0.834,528 1.01,529 0.927,530 0.983,531 0.981,532 0.989,533 0.899,534 0.991,535 5.5,536 0.143,537 2.889,538 1.563,539 1.053,540 0.806,541 0.5115,542 0.3395,543 0.275,544 0.205,545 9816,546 31578.5,547 2.026,548 45.7,549 4,550 9,552 2,553 1,554 2,555 2,558 1.7145,559 1.92,560 3.4525,561 -0.265,563 1,567 83.003,568 1.551,569 3.582,570 4.592,571 5.1285,572 5.239,573 5.254,574 2.9,575 4.2395,576 4.781,577 3.661,578 1437.065,579 8.33,580 20126.85,582 1,585 296.423,586 1.36,587 4.759,588 0.17,589 0.007,590 0.069,591 0.041,592 0.029,593 0.022,594 0.015,595 0.011,596 0.01,597 0.008,598 0.391,599 0.33,600 1,601 1.344,602 145.2085,603 -0.031,604 -0.083,605 0.043,606 -0.023,607 -0.055,608 0.014,609 0.144,610 0.004,611 -0.003,612 -0.021,613 0.1895,614 -0.0445,615 -0.066,616 -0.062,617 -0.0625,618 -0.059,619 -0.046,620 -0.061,621 -0.087,622 -0.016,623 -0.048,624 -0.01,625 -0.068,626 -0.023,627 -0.068,628 -0.035,629 -0.037,630 -0.017,631 -0.065,632 -0.026,633 -0.012,634 -0.0295,635 -0.015,636 -0.035,637 -0.017,638 -0.03,639 -0.036,640 -0.026,641 -0.0295,642 -0.019,643 -0.039,644 -0.027,645 -0.031,646 -0.025,647 -0.011,648 -0.024,649 -0.041,650 -0.0075,651 2.464,652 4.566,653 0.581,654 29.7115,655 1.004,656 1.124,657 2.672,658 7.166,659 0.665,660 3.434,661 3.689,662 3.871,663 4.078,664 4.248,665 4.29,666 4.369,667 4.443,668 4.443,669 4.419,670 6.932,671 0.634,672 401.03,673 3.434,674 4.934,675 5.74,676 6.586,677 7.413,678 8.275,679 9.119,680 9.999,681 10.862,682 11.73,683 4.3,693 1,699 8,700 1,704 3,706 12,724 52,726 16,727 1,728 30,730 54,731 21.5,733 11,734 2,735 4,736 1,739 3,740 3,751 4,753 14,754 6.5,756 2,761 1,765 1,769 1,772 23,773 6,774 1,775 6,779 2,784 1,785 3,795 1,801 1,802 2,818 1,830 1,832 2,840 28,845 1,846 4,862 6.5,864 1,865 1,869 15,870 9.3335,871 6.389,872 3.099,874 2.382,875 1.351,876 0.936,877 7.173,878 9.331,879 3.689,880 4.22,881 4.673,882 5.1845,883 5.608,884 5.73,885 6.055,886 6.271,887 6.461,888 6.661,889 1,890 38,891 10.608,893 4.5375,894 7.881,895 19.873,897 15.921,899 2.381,900 68.8055,904 258.964,905 127.6375,906 33.191,908 78.828,911 125.977,912 359.334,913 33.191,915 12.673,916 71.112,917 117.684,918 34.023,919 11.771,920 235.422,922 258.964,923 151.886,924 78.828,927 235.422,928 102.589,931 47.941,932 76.445,933 33.571,935 258.964,936 116.5095,937 138.608,940 258.964,941 30.656,942 93.905,944 122.4735,945 258.964,946 117.613,947 138.608,949 0.57,950 0.315,951 0.164,952 0.088,953 16,954 7,955 0.161,956 8,958 1,959 3.9795,960 226.6045,962 15,963 132.606,968 21.033,969 9.8445,970 5.87,972 117.613,973 14.533,974 4.1495,978 2.416,980 42.683,981 536.436,982 39,987 11.4325,991 -0.5215,994 52.749,995 58.647,996 0.2745,997 0.625,998 0.814,999 0.907,1000 0.923,1001 0.924,1002 4.895,1003 1.314,1004 5.714,1005 3.356,1006 4.369,1007 4.905,1008 2.35,1009 6.466,1010 4.309,1011 6.0845,1012 1.106,1013 7.236,1014 2.932,1015 4.007,1016 4.62,1017 2.243,1018 7.4995,1019 3.823,1020 7.381,1021 1,1022 8.891,1023 2.481,1024 5.943,1025 7.063,1026 3.64,1027 10.554,1028 5.8035,1029 8.723,1030 1,1031 10.647,1032 2.275,1033 6.399,1034 7.585,1035 4.112,1036 12.388,1037 6.1565,1038 10.0885,1039 0.618,1040 12.436,1041 2.136,1042 7.886,1043 9.4925,1044 5.2025,1045 15.006,1046 7.6155,1047 11.47,1048 0.324,1049 14.251,1050 1.372,1051 8.6865,1052 10.416,1053 5.889,1054 17.17,1055 8.395,1056 12.8755,1057 -0.057,1058 16.067,1059 0.743,1060 9.958,1061 12.067,1062 6.849,1063 19.646,1064 9.643,1065 3.204,1066 -0.2625,1067 17.898,1068 -0.126,1069 10.952,1070 13.173,1071 7.625,1072 21.895,1073 10.573,1074 2.802,1075 11.0785,1076 19.752,1077 -0.5725,1078 12.121,1079 14.701,1080 8.526,1081 24.317,1082 11.7345,1083 2.51,1084 8.878,1085 21.6,1086 4.064,1087 13.181,1088 15.9325,1089 9.342,1090 26.6455,1091 12.7385,1092 2.263,1093 7.187,1094 23.455,1095 3.585,1096 14.347,1097 17.389,1098 10.216,1099 29.052,1100 13.8465,1101 2.1295,1102 6.321,1103 25.331,1104 3.361,1105 15.4875,1106 18.705,1107 11.051,1108 31.396,1109 14.9005,1110 1.7335,1111 5.186,1112 27.228,1113 2.817,1114 16.6205,1115 20.1355,1116 11.912,1117 33.789,1118 16.001,1119 1.548,1120 4.695,1121 29.119,1122 2.6675,1123 17.751,1124 21.473,1125 12.755,1126 36.176,1127 17.0855,1128 9887,1129 17705,1130 19.761,1131 34.79,1132 43.549,1133 44.5385,1134 44.121,1135 43.13,1136 43.123,1137 55.395,1138 6.349,1139 117.127,1140 41.431,1141 5.4,1142 5.802,1143 6.529,1144 5.24,1145 5.204,1146 7.063,1147 3.925,1148 18.163,1149 5.0615,1150 14.1885,1151 1.48,1152 1.5095,1153 1.487,1154 1.461,1155 1.459,1156 1.898,1157 0.2295,1158 4.013,1159 1.41,1160 4.0435,1161 4.064,1162 4.02,1163 3.966,1164 7.474,1165 3.964,1166 3.898,1167 3.943,1168 3.8485,1169 3.7915,1170 6.82,1171 3.782,1172 3.761,1173 3.805,1174 3.706,1175 3.645,1176 5.061,1177 3.641,1178 3.6175,1179 3.6565,1180 3.525,1181 3.449,1182 4.897,1183 3.4495,1184 3.432,1185 3.4705,1186 3.357,1187 3.265,1188 4.717,1189 3.258,1190 3.272,1191 3.3195,1192 3.174,1193 3.06,1194 4.459,1195 3.0715,1196 3.0695,1197 3.1365,1198 2.9735,1199 2.8605,1200 4.246,1201 2.8625,1202 2.9145,1203 2.981,1204 2.8135,1205 2.735,1206 4.066,1207 2.715,1208 0.155,1209 0.139,1210 0.2345,1211 0.139,1212 0.109,1213 4.481,1214 0.144,1215 3.806,1216 0.072,1217 6.764,1218 0.388,1219 4.174,1220 0.103,1221 3.204,1222 4.064,1223 2.341,1224 11.0785,1225 3.0615,1226 1.96,1227 1.945,1228 2.067,1229 2.055,1230 1.328,1231 2.064,1232 1.8455,1233 1.81,1234 1.9705,1235 1.97,1236 1.165,1237 1.976,1238 1.727,1239 1.6725,1240 1.9075,1241 1.892,1242 1.082,1243 1.901,1244 1.5435,1245 1.4975,1246 1.7785,1247 1.748,1248 0.935,1249 1.7625,1250 1.366,1251 1.3205,1252 1.5855,1253 1.6045,1254 0.7205,1255 1.6045,1256 1.2225,1257 1.185,1258 1.4375,1259 1.4475,1260 0.58,1261 1.47,1262 1.055,1263 0.9975,1264 1.2595,1265 1.278,1266 0.45,1267 1.308,1268 0.886,1269 0.821,1270 1.181,1271 1.164,1272 0.2725,1273 1.1735,1274 4.111,1276 5.38,1277 2.398,1278 6.845,1279 4.443,1280 8.396,1281 6.26,1282 9.9985,1289 8.799,1290 2.574,1300 33.238,1301 83.003,1302 188.216,1303 240.216,1304 268.726,1305 275.2465,1306 276.825,1307 64.9405,1308 6.875,1309 78.585,1310 84.33,1311 17,1312 12.2785,1313 4.087,1314 3.322,1315 53.67,1316 114,1317 126,1318 0.22,1319 209.214,1320 371.425,1321 502.2425,1322 8114.5,1324 20.408,1325 0.711,1326 0.58,1327 20.497,1328 16.537,1329 13.7135,1330 0.453,1331 0.325,1332 9.3,1333 12.6405,1334 9.008,1335 7.476,1336 14.1055,1337 9.852,1338 12.028,1339 0.301,1340 0.182,1341 12.5775,1342 7.249,1343 9.1,1344 0.191,1345 0.102,1346 9.752,1347 4.982,1348 7.1215,1349 0.124,1350 0.057,1351 7.642,1352 3.5035,1353 5.4165,1354 0.081,1355 0.032,1356 5.87,1357 2.3695,1358 0.35,1359 89.233,1360 0.225,1361 27.434,1362 0.5915,1363 138,1364 443.1115,1365 168.6755,1366 439.047,1367 586.22,1368 408,1369 155,1370 384.065,1371 186.503,1372 414.355,1373 592.175,1374 386,1375 5.921} {0 CHEMBL161063,1 1.605,2 12.788,3 3.743,4 14.009,5 119.581,6 7.576,7 0.343,8 4.179,9 4.276,10 3.739,11 3.686,12 5.36,13 3.681,14 4.733,15 4.878,16 4.105,17 4.052,18 5.924,19 4.035,20 5.044,21 5.216,22 4.201,23 4.212,24 6.17,25 4.174,26 5.165,27 5.384,28 4.161,29 4.24,30 6.228,31 4.183,32 5.071,33 5.258,34 4.202,35 4.32,36 6.199,37 4.241,38 5.259,39 5.502,40 4.178,41 4.37,42 6.211,43 4.263,44 5.209,45 5.44,46 4.124,47 4.293,48 6.286,49 4.196,50 5.131,51 5.384,52 4.014,53 4.204,54 6.209,55 4.099,56 0.101,57 0.855,58 11.783,59 5.988,60 21.596,61 7.087,62 0.503,63 1.347,64 23.512,65 9.754,66 66.764,67 11.922,68 0.853,69 1.714,70 34.723,71 12.746,72 95.389,73 15.585,74 1.1,75 1.793,76 42.614,77 13.796,78 124.794,79 17.629,80 0.649,81 1.823,82 34.333,83 13.808,84 101.474,85 18.081,86 0.753,87 2.01,88 45.138,89 16.072,90 105.37,91 22.286,92 0.945,93 1.965,94 43.335,95 14.751,96 133.044,97 19.809,98 1.112,99 1.912,100 41.876,101 13.871,102 142.269,103 18.571,104 46,105 48,106 0.26,107 0.627,108 0.815,109 0.883,110 0.888,111 0.888,112 3.532,113 0.919,114 -3.8,115 -3.76,116 -3.58,118 41.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 2,142 2,143 2,154 2,163 1,167 1,168 9,169 1,171 1,172 11,175 1,177 1,180 9,181 1,185 2,186 12,191 1,194 7,195 1,197 2,198 7,203 1,206 9,207 1,210 12,215 1,218 12,219 1,221 1,222 13,227 1,229 7,230 1,233 3,234 8,239 1,242 11,247 2,248 2,255 12,256 1,258 2,259 7,262 2,264 1,267 11,268 1,270 2139,271 21.877,272 21.877,273 21.877,274 21.877,275 21.877,276 19.816,277 24.393,278 13.12,279 22.223,280 17.236,281 17.236,282 17.236,283 17.236,284 17.236,285 14.189,286 28.236,287 6.188,288 17.857,289 4.301,290 2.04,291 0.877,292 0.458,293 0.425,294 0.425,295 4.211,299 1,300 1,301 873,302 4.416,306 359.542,313 2.145,314 48.804,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 73.5,326 422,327 4.464,328 4.078,329 7.318,330 4.367,331 3.414,332 3.967,333 2.341,334 12.567,335 3.246,336 4.246,337 3.798,338 6.501,339 3.962,340 2.993,341 3.59,342 2.035,343 10.198,344 2.895,345 4.114,346 3.597,347 6.151,348 3.802,349 2.826,350 3.346,351 1.465,352 9.045,353 2.752,354 3.567,355 3.337,356 5.251,357 3.257,358 2.266,359 2.8,360 0.86,361 6.414,362 2.237,363 3.542,364 3.014,365 5.01,366 3.218,367 2.223,368 2.73,369 0.811,370 5.852,371 2.193,372 3.513,373 2.684,374 4.822,375 3.033,376 2.108,377 2.67,379 5.185,380 1.928,381 3.279,382 2.45,383 4.659,384 2.726,385 1.756,386 2.217,388 5.066,389 1.695,390 3.114,391 2.255,392 4.307,393 2.574,394 1.607,395 2.185,397 4.01,398 1.55,399 2.85,400 1.952,401 4.122,402 2.462,403 1.503,404 1.927,406 3.641,407 1.436,408 2.664,409 1.862,410 3.637,411 2.428,412 1.443,413 1.595,415 3.137,416 1.414,417 2.598,418 1.649,419 3.48,420 1.958,421 1,422 1.5,424 2.477,425 0.955,426 2.5,427 1.402,428 3.296,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.17,436 1.217,437 3.247,438 1.773,439 0.78,440 0.985,442 1.674,443 0.769,444 1.919,445 1,446 3.038,447 1.509,448 0.564,449 0.831,451 1.096,452 0.53,453 1.498,454 0.806,455 2.837,456 1.05,457 0.128,458 0.17,460 0.247,461 0.114,462 15.252,463 0.462,464 0.875,465 0.027,466 38.5,467 1.167,468 18,469 0.545,470 20.5,471 0.621,472 33.281,473 1.009,474 36.948,475 0.616,476 32.273,477 0.978,478 7.582,479 0.23,480 8.215,481 0.249,482 0.154,483 0.033,484 0.262,486 1,487 0.75,488 1.143,489 0.762,490 1.184,491 0.634,492 1.02,493 0.863,494 1.052,495 0.856,496 1.106,497 0.517,498 1.007,499 1.18,500 1.073,501 1.087,502 1.127,503 0.869,504 1.097,505 1.267,506 0.732,507 1.017,508 0.76,509 0.763,510 0.819,511 0.686,512 1.011,513 0.996,514 1.221,515 0.464,516 1.202,517 0.686,518 0.866,519 0.898,520 1.03,521 0.473,522 1.023,523 0.923,524 0.916,525 1.043,526 1.003,527 0.812,528 1.047,529 0.956,530 0.901,531 1.011,532 0.859,533 0.992,534 0.922,535 7.5,536 0.243,537 4,538 2.188,539 2.058,540 1.458,541 0.749,542 0.545,543 0.488,544 0.277,545 14389,546 47799,547 1.987,548 45,549 4,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.757,559 1.842,560 3.603,561 -0.352,563 1,567 96.325,568 1.605,569 3.867,570 5.03,571 5.448,572 5.482,573 5.482,574 3.127,575 4.741,576 5.007,577 3.813,578 2013.4,579 8.8,580 30465.1,582 1,585 354.413,586 1.573,587 4.957,588 0.214,589 0.007,590 0.083,591 0.044,592 0.042,593 0.029,594 0.015,595 0.012,596 0.012,597 0.007,598 0.465,599 0.33,600 1,601 1.609,602 175.57,603 -0.043,604 -0.08,605 0.033,606 -0.056,607 -0.039,608 -0.004,609 0.059,610 -0.074,611 0.041,612 -0.056,613 0.107,614 -0.019,615 -0.069,616 -0.113,617 -0.118,618 -0.12,619 -0.071,620 -0.131,621 -0.156,622 0.116,623 0.003,624 0.194,625 -0.032,626 0.146,627 0.049,628 -0.096,629 -0.101,630 -0.189,631 0.109,632 -0.188,633 0.007,634 -0.064,635 0.05,636 -0.053,637 0.023,638 -0.002,639 -0.046,640 -0.042,641 -0.066,642 -0.041,643 -0.047,644 -0.059,645 0.011,646 0.175,647 0.004,648 0.118,649 -0.056,650 0.078,651 2.497,652 5.497,653 0.545,654 40.468,655 1.014,656 1.13,657 2.572,658 6.617,659 0.652,660 3.584,661 3.892,662 4.094,663 4.317,664 4.564,665 4.615,666 4.718,667 4.762,668 4.844,669 4.913,670 7.551,671 0.631,672 454.54,673 3.584,674 5.118,675 5.943,676 6.815,677 7.667,678 8.547,679 9.414,680 10.299,681 11.174,682 12.063,683 3.3,692 1,693 1,699 7,700 1,704 4,706 12,707 1,722 1,723 1,724 60,726 15,727 1,728 35,730 62,731 25,733 11,734 3,735 3,739 3,740 3,745 2,748 1,749 1,751 4,752 1,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,770 1,772 27,773 8,774 1,775 8,779 2,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 33,845 1,846 4,848 3,850 3,852 1,853 1,858 1,860 1,861 1,862 8.3,864 1,865 1,866 2,867 1,869 17.917,870 11.16,871 7.375,872 3.533,874 2.102,875 1.283,876 0.903,877 8.438,878 9.527,879 3.829,880 4.304,881 4.727,882 5.187,883 5.662,884 5.681,885 5.902,886 5.998,887 6.17,888 6.452,889 0.889,890 50,891 12.271,893 5.243,894 8.063,895 22.771,897 18.379,899 2.563,900 84.583,903 1,904 306.049,905 152.882,906 47.845,908 100.828,909 14.96,911 152.882,912 406.877,913 62.805,914 17.65,915 12.196,916 66.693,917 147.667,918 80.89,919 26.731,920 270.735,922 306.049,923 200.727,924 115.788,927 238.611,928 161.226,929 22,930 0.36,931 79.001,932 85.628,933 35.738,935 321.009,936 148.673,937 152.882,940 306.408,941 33.841,942 102.079,943 16.602,944 163.633,945 306.049,946 163.633,947 152.882,949 0.575,950 0.319,951 0.167,952 0.096,953 20,954 10,955 0.145,956 9,958 1,959 4.284,960 293.038,962 18,963 164.465,968 24.702,969 11.272,970 6.773,972 163.633,973 10.98,974 4.202,978 0.715,980 42.683,981 622.563,982 45,987 10.69,989 3.8,991 -0.831,994 60.84,995 67.781,996 0.272,997 0.655,998 0.852,999 0.922,1000 0.928,1001 0.928,1002 5.081,1003 1.607,1004 5.948,1005 5.066,1006 4.575,1007 4.99,1008 3.216,1009 6.772,1010 4.5,1011 6.274,1012 1.503,1013 7.522,1014 4.01,1015 4.29,1016 4.691,1017 2.243,1018 7.941,1019 4.174,1020 7.57,1021 1.443,1022 9.215,1023 3.641,1024 6.217,1025 7.016,1026 4.42,1027 10.976,1028 6.067,1029 8.895,1030 1,1031 10.983,1032 3.137,1033 6.758,1034 7.479,1035 4.112,1036 12.999,1037 6.557,1038 10.251,1039 1,1040 12.803,1041 2.477,1042 8.202,1043 9.326,1044 5.842,1045 15.642,1046 7.966,1047 11.628,1048 0.78,1049 14.658,1050 2.136,1051 9.113,1052 10.163,1053 5.889,1054 17.972,1055 8.821,1056 13.023,1057 0.564,1058 16.54,1059 1.674,1060 10.386,1061 11.793,1062 7.361,1063 20.511,1064 10.053,1065 3.414,1066 0.128,1067 18.443,1068 1.096,1069 11.461,1070 12.838,1071 7.625,1072 22.955,1073 11.071,1074 2.993,1075 12.567,1076 20.36,1077 0.247,1078 12.676,1079 14.353,1080 8.931,1081 25.47,1082 12.241,1083 2.826,1084 10.198,1085 22.289,1086 3.967,1087 13.823,1088 15.522,1089 9.342,1090 27.958,1091 13.332,1092 2.266,1093 9.045,1094 24.228,1095 3.59,1096 15.025,1097 16.972,1098 10.535,1099 30.472,1100 14.484,1101 2.223,1102 6.414,1103 26.174,1104 3.346,1105 16.204,1106 18.216,1107 11.051,1108 32.98,1109 15.608,1110 2.108,1111 5.852,1112 28.127,1113 2.8,1114 17.406,1115 19.629,1116 12.161,1117 35.498,1118 16.758,1119 1.756,1120 5.185,1121 30.085,1122 2.73,1123 18.602,1124 20.92,1125 12.755,1126 38.015,1127 17.9,1128 14331,1129 26246,1130 22.652,1131 39.12,1132 53.501,1133 55.754,1134 53.066,1135 51.311,1136 51.317,1137 63.404,1138 15.023,1139 145.69,1140 49.321,1141 5.464,1142 6.078,1143 7.12,1144 5.443,1145 5.414,1146 6.967,1147 4.376,1148 20.051,1149 5.246,1150 19.14,1151 1.529,1152 1.593,1153 1.516,1154 1.466,1155 1.466,1156 1.812,1157 0.429,1158 4.163,1159 1.409,1160 3.993,1161 4.017,1162 3.937,1163 3.878,1164 8.201,1165 3.887,1166 3.909,1167 3.933,1168 3.861,1169 3.821,1170 7.474,1171 3.826,1172 3.76,1173 3.804,1174 3.665,1175 3.645,1176 6.82,1177 3.641,1178 3.698,1179 3.733,1180 3.598,1181 3.536,1182 6.351,1183 3.544,1184 3.555,1185 3.602,1186 3.436,1187 3.399,1188 4.942,1189 3.397,1190 3.325,1191 3.354,1192 3.216,1193 3.111,1194 4.821,1195 3.129,1196 3.194,1197 3.244,1198 3.174,1199 3.031,1200 4.658,1201 3.057,1202 2.967,1203 3.016,1204 2.839,1205 2.795,1206 4.375,1207 2.791,1208 0.128,1209 0.117,1210 0.209,1211 0.125,1212 0.098,1213 4.464,1214 0.113,1215 4.078,1216 0.067,1217 7.318,1218 0.359,1219 4.367,1220 0.093,1221 3.414,1222 3.967,1223 2.341,1224 12.567,1225 3.246,1226 1.912,1227 1.888,1228 2.047,1229 2.059,1230 1.362,1231 2.052,1232 1.883,1233 1.86,1234 1.97,1235 1.988,1236 1.149,1237 1.982,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.11,1243 1.906,1244 1.66,1245 1.621,1246 1.866,1247 1.845,1248 1.009,1249 1.85,1250 1.534,1251 1.484,1252 1.771,1253 1.726,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.506,1260 0.647,1261 1.495,1262 1.114,1263 1.071,1264 1.417,1265 1.298,1266 0.469,1267 1.308,1268 0.94,1269 0.888,1270 1.226,1271 1.239,1272 0.397,1273 1.269,1274 4.263,1276 5.572,1278 7.074,1280 8.668,1282 10.314,1284 3.573,1286 13.497,1289 8.781,1290 1.574,1292 18.411,1294 -1.095,1296 -0.98,1298 9.321,1299 1.945,1300 37.848,1301 96.325,1302 232.033,1303 301.784,1304 326.904,1305 328.904,1306 328.904,1307 99.274,1308 7.425,1309 101.67,1310 101.67,1311 18,1312 12.596,1313 4,1314 3.459,1315 63.994,1316 145,1317 174,1318 0.211,1319 233.893,1320 427.8,1321 562.458,1322 16054,1323 1.7,1324 23.847,1325 0.723,1326 0.564,1327 22.976,1328 18.609,1329 15.797,1330 0.451,1331 0.306,1332 10.549,1333 15.062,1334 10.274,1335 8.503,1336 15.403,1337 10.723,1338 14.403,1339 0.3,1340 0.174,1341 13.769,1342 8.366,1343 10.98,1344 0.186,1345 0.09,1346 10.644,1347 5.306,1348 8.784,1349 0.119,1350 0.049,1351 8.545,1352 3.639,1353 7.282,1354 0.077,1355 0.026,1356 6.919,1357 2.515,1358 0.332,1359 100.142,1360 0.21,1361 30.782,1362 0.579,1363 166,1364 606.493,1365 189.184,1366 545.167,1367 709.82,1368 506,1369 190,1370 489.794,1371 212.239,1372 484.949,1373 703.69,1374 453,1375 7.824} {0 CHEMBL161097,1 1.766,2 8.067,3 3.534,4 12.49,5 116.01,6 8.83,7 0.344,8 4.038,9 4.13,10 3.734,11 3.566,12 5.234,13 3.562,14 4.554,15 4.705,16 4.121,17 3.945,18 5.746,19 3.923,20 4.72,21 4.865,22 4.36,23 4.141,24 5.878,25 4.097,26 4.889,27 5.019,28 4.41,29 4.227,30 6.177,31 4.205,32 5.024,33 5.162,34 4.527,35 4.339,36 6.265,37 4.32,38 5.171,39 5.323,40 4.727,41 4.426,42 6.541,43 4.398,44 5.27,45 5.456,46 4.572,47 4.396,48 6.522,49 4.317,50 5.133,51 5.36,52 4.115,53 4.241,54 6.198,55 4.081,56 0.137,57 0.694,58 7.949,59 4.548,60 12.716,61 5.249,62 0.589,63 1.078,64 18.743,65 7.449,66 43.321,67 8.891,68 0.509,69 1.245,70 26.858,71 9.501,72 47.505,73 11.058,74 0.767,75 1.398,76 29.424,77 10.883,78 83.949,79 12.247,80 0.849,81 1.607,82 32.878,83 12.289,84 80.535,85 13.699,86 1.321,87 1.82,88 39.54,89 14.034,90 127.15,91 16.463,92 1.619,93 1.846,94 55.496,95 16.045,96 147.209,97 18.764,98 1.124,99 1.587,100 54.768,101 15.192,102 107.396,103 18.807,104 59,105 45,106 0.296,107 0.683,108 0.869,109 0.891,110 0.891,111 0.891,112 3.442,113 0.934,114 -3.83,115 -3.79,116 -3.6,118 41.2,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 3,141 1,142 2,143 1,149 1,152 1,154 1,156 1,168 6,171 2,172 7,175 1,177 1,180 9,185 1,186 5,191 1,194 11,197 3,198 10,201 1,203 3,206 11,209 2,210 8,213 1,215 1,218 6,221 2,222 12,225 2,227 3,229 4,233 3,234 14,237 1,239 2,242 3,247 5,255 3,258 2,259 3,267 2,270 1530,271 20.052,272 20.052,273 20.052,274 20.052,275 20.052,276 17.687,277 23.687,278 11.783,279 20.792,280 15.639,281 15.639,282 15.639,283 15.639,284 15.639,285 12.101,286 27.765,287 5.365,288 16.729,289 3.907,290 1.599,291 0.491,292 0.358,293 0.358,294 0.358,295 4.115,297 2,299 1,300 1,301 499,302 3.808,305 87.626,306 196.63,313 1.142,314 42.343,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 66.167,326 242,327 4.692,328 3.92,329 7.195,330 4.376,331 3.391,332 4.208,333 1.674,334 12.679,335 3.341,336 4.267,337 3.529,338 6.362,339 3.795,340 2.878,341 3.88,342 1.36,343 9.517,344 2.694,345 4.123,346 3.354,347 6.317,348 3.715,349 2.735,350 3.54,351 1.216,352 9.278,353 2.596,354 3.913,355 2.908,356 5.55,357 3.444,358 2.517,359 3.43,360 1.115,361 7.32,362 2.322,363 3.514,364 2.851,365 5.333,366 3.065,367 2.132,368 2.729,369 0.522,370 6.432,371 1.983,372 3.345,373 2.571,374 5.05,375 2.979,376 2.038,377 2.544,379 5.721,380 1.841,381 3.094,382 2.299,383 4.715,384 2.713,385 1.751,386 2.145,388 4.663,389 1.671,390 2.867,391 2.13,392 4.529,393 2.366,394 1.414,395 2.03,397 3.911,398 1.296,399 2.588,400 1.681,401 3.865,402 2.311,403 1.391,404 1.605,406 3.17,407 1.241,408 2.575,409 1.496,410 3.604,411 2.074,412 1.156,413 1.566,415 2.587,416 1.054,417 2.118,418 1.461,419 3.31,420 1.872,421 0.943,422 1.009,424 1.667,425 0.864,426 2.067,427 1.272,428 3.236,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.51,436 0.985,437 3,438 1.302,439 0.414,440 0.433,442 0.764,443 0.356,444 1.39,445 0.75,446 2.749,447 1.025,448 0.179,449 0.2,451 0.406,452 0.115,453 1.294,454 0.618,455 2.59,456 0.905,462 14.462,463 0.482,464 0.789,465 0.026,466 35.75,467 1.192,468 16,469 0.533,470 19.75,471 0.658,472 31.135,473 1.038,474 32.938,475 0.646,476 30.949,477 1.032,478 7.443,479 0.248,480 6.941,481 0.231,482 0.249,484 0.373,487 0.802,488 1.424,489 0.57,490 1.024,491 0.723,492 0.919,493 0.85,494 0.911,495 0.624,496 0.666,497 0.593,498 0.698,499 0.918,500 1.007,501 0.76,502 0.882,503 0.85,504 0.876,505 1.194,506 1.081,507 0.968,508 1.009,509 1.397,510 0.962,511 1.281,512 1.09,513 0.897,514 0.955,515 1.359,516 0.923,517 0.824,518 1.177,519 0.76,520 1.071,521 0.799,522 1,523 1.168,524 1.01,525 1.128,526 1.112,527 1.201,528 1.122,529 1.173,530 0.993,531 1.398,532 1.158,533 1.127,534 1.222,535 5.5,536 0.045,537 3.556,538 2.972,539 2.404,540 2.09,541 1.302,542 0.803,543 0.304,544 0.166,545 8797,546 31339,547 1.974,548 41.2,549 1,550 10,551 1,552 2,553 1,555 6,558 1.744,559 1.8,560 2.953,561 -0.283,563 1,567 90.061,568 1.766,569 4.073,570 5.182,571 5.314,572 5.314,573 5.314,574 2.389,575 4.482,576 4.877,577 3.154,578 1372.1,579 8.597,580 18441.3,582 1,585 289.294,586 1.549,587 4.808,588 0.172,589 0.007,590 0.079,591 0.058,592 0.041,593 0.032,594 0.019,595 0.015,596 0.009,597 0.008,598 0.441,599 0.33,600 1,601 1.338,602 148.241,603 -0.074,604 -0.246,605 0.012,606 -0.088,607 -0.085,608 -0.028,609 0.052,610 0.198,611 0.101,612 0.262,613 0.093,614 0.216,615 -0.065,616 0.076,617 0.113,618 0.097,619 -0.063,620 0.068,621 -0.095,622 -0.033,623 -0.092,624 -0.044,625 -0.107,626 -0.051,627 -0.166,628 -0.045,629 -0.059,630 -0.004,631 -0.169,632 -0.016,633 0.246,634 -0.145,635 0.12,636 -0.121,637 0.272,638 -0.076,639 0.007,640 -0.061,641 -0.076,642 -0.134,643 -0.032,644 -0.162,645 -0.202,646 -0.087,647 -0.237,648 -0.14,649 -0.169,650 -0.192,651 2.249,652 5.721,653 0.567,654 24.467,655 1.022,656 1.125,657 2.595,658 6.734,659 0.69,660 3.497,661 3.829,662 4.143,663 4.454,664 4.691,665 4.875,666 4.956,667 5.017,668 5.017,669 4.89,670 5.431,671 0.664,672 450.35,673 3.497,674 5.043,675 5.911,676 6.812,677 7.71,678 8.627,679 9.537,680 10.46,681 11.376,682 12.302,683 5.9,691 1,692 1,693 1,699 6,700 1,704 3,705 1,706 11,723 2,724 51,726 15,727 1,728 32,730 53,731 21,733 9,734 3,735 3,736 6,739 3,740 3,741 2,745 2,749 1,753 15,754 6,755 1,756 4,761 1,764 1,765 6,769 1,772 21,773 6,774 1,775 9,776 2,778 1,779 3,784 1,785 4,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,837 2,840 30,845 1,846 2,848 2,850 1,861 2,862 7.8,864 1,865 1,866 1,867 1,869 16.667,870 10.169,871 6.833,872 2.963,874 2.506,875 1.346,876 0.93,877 7.367,878 9.753,879 3.75,880 4.341,881 4.899,882 5.444,883 5.881,884 6.238,885 6.565,886 6.907,887 7.207,888 7.364,889 1,890 51,891 11.119,893 4.725,894 7.952,895 20.538,897 16.269,899 2.452,900 73.556,903 1,904 235.422,905 120.656,906 35.47,907 78.297,908 89.828,911 120.656,912 403.547,913 35.47,914 28.533,915 6.698,916 37.476,917 140.479,918 56.31,919 11.771,920 200.109,921 78.297,922 235.422,923 156.126,924 89.828,925 78.297,927 164.795,928 149.455,929 11,931 60.699,932 75.885,933 97.84,935 235.422,936 125.298,937 198.954,940 235.422,941 36.981,942 85.575,944 201.696,945 235.422,946 125.298,947 198.954,949 0.576,950 0.354,951 0.201,952 0.111,953 20,954 11,955 0.132,956 7,958 1,959 3.727,960 281.822,962 17,963 147.207,968 22.566,969 9.794,970 4.649,972 123.399,973 10.168,974 4.046,978 1.122,979 1.797,980 42.683,981 559.674,982 41.5,987 12.721,990 4.593,991 0.598,994 52.098,995 57.373,996 0.311,997 0.718,998 0.914,999 0.937,1000 0.937,1001 0.937,1002 5.002,1003 1.414,1004 5.916,1005 4.663,1006 4.511,1007 5.027,1008 2.733,1009 6.792,1010 4.393,1011 6.229,1012 1.391,1013 7.519,1014 3.911,1015 4.205,1016 4.89,1017 1.06,1018 7.858,1019 4.038,1020 7.56,1021 1.156,1022 9.228,1023 3.17,1024 6.155,1025 7.212,1026 3.339,1027 11.033,1028 5.97,1029 8.93,1030 0.943,1031 11.001,1032 2.587,1033 6.686,1034 7.885,1035 1.679,1036 12.956,1037 6.469,1038 10.332,1039 0.618,1040 12.814,1041 1.667,1042 8.12,1043 9.673,1044 4.127,1045 15.679,1046 7.894,1047 11.757,1048 0.414,1049 14.655,1050 1.372,1051 9.021,1052 10.713,1053 2.248,1054 17.959,1055 8.778,1056 13.199,1057 0.179,1058 16.518,1059 0.764,1060 10.28,1061 12.286,1062 5.016,1063 20.542,1064 10.031,1065 3.391,1067 18.398,1068 0.406,1069 11.345,1070 13.505,1071 2.825,1072 22.972,1073 11.088,1074 2.878,1075 12.679,1076 20.291,1078 12.55,1079 14.985,1080 5.964,1081 25.514,1082 12.288,1083 2.735,1084 9.517,1085 22.196,1086 4.208,1087 13.689,1088 16.295,1089 3.415,1090 28.006,1091 13.422,1092 2.517,1093 9.278,1094 24.109,1095 3.88,1096 14.882,1097 17.734,1098 6.948,1099 30.54,1100 14.611,1101 2.132,1102 7.32,1103 26.031,1104 3.54,1105 16.056,1106 19.091,1107 4.015,1108 33.058,1109 15.779,1110 2.038,1111 6.432,1112 27.959,1113 3.43,1114 17.252,1115 20.515,1116 7.951,1117 35.592,1118 16.97,1119 1.751,1120 5.721,1121 29.893,1122 2.729,1123 18.444,1124 21.899,1125 4.622,1126 38.121,1127 18.156,1128 8894,1129 16915,1130 20.403,1131 35.165,1132 47.813,1133 49.662,1134 51.009,1135 47.195,1136 47.113,1137 60.493,1138 11.775,1139 138.974,1140 43.902,1141 5.623,1142 5.92,1143 6.964,1144 5.433,1145 5.391,1146 7.208,1147 3.349,1148 20.261,1149 5.341,1150 18.183,1151 1.494,1152 1.552,1153 1.594,1154 1.475,1155 1.472,1156 1.89,1157 0.368,1158 4.343,1159 1.372,1160 4.049,1161 4.078,1162 4.146,1163 3.973,1164 7.433,1165 3.975,1166 3.895,1167 3.945,1168 3.925,1169 3.748,1170 6.473,1171 3.76,1172 3.761,1173 3.785,1174 3.78,1175 3.628,1176 5.041,1177 3.647,1178 3.553,1179 3.59,1180 3.468,1181 3.335,1182 4.96,1183 3.355,1184 3.402,1185 3.439,1186 3.402,1187 3.191,1188 4.715,1189 3.191,1190 3.249,1191 3.318,1192 3.271,1193 3.022,1194 4.497,1195 3.03,1196 3.103,1197 3.169,1198 3.252,1199 2.934,1200 4.484,1201 2.931,1202 2.957,1203 3.015,1204 3.064,1205 2.838,1206 4.455,1207 2.806,1208 0.147,1209 0.122,1210 0.225,1211 0.137,1212 0.106,1213 4.692,1214 0.132,1215 3.92,1216 0.052,1217 7.195,1218 0.396,1219 4.376,1220 0.104,1221 3.391,1222 4.208,1223 1.674,1224 12.679,1225 3.341,1226 1.977,1227 1.963,1228 2.037,1229 2.067,1230 1.298,1231 2.061,1232 1.767,1233 1.743,1234 1.86,1235 1.883,1236 1.012,1237 1.886,1238 1.545,1239 1.493,1240 1.799,1241 1.765,1242 0.937,1243 1.762,1244 1.491,1245 1.433,1246 1.718,1247 1.747,1248 0.877,1249 1.747,1250 1.314,1251 1.261,1252 1.59,1253 1.577,1254 0.648,1255 1.574,1256 1.261,1257 1.202,1258 1.516,1259 1.525,1260 0.58,1261 1.517,1262 1.225,1263 1.156,1264 1.456,1265 1.459,1266 0.45,1267 1.474,1268 0.988,1269 0.932,1270 1.193,1271 1.218,1272 0.245,1273 1.216,1274 4.174,1276 5.501,1277 2.398,1278 7.033,1279 4.443,1280 8.672,1281 6.26,1282 10.376,1284 4.742,1285 12.772,1289 10.824,1290 0.521,1292 10.437,1294 -0.786,1300 33.846,1301 90.061,1302 207.726,1303 264.274,1304 271.029,1305 271.029,1306 271.029,1307 78.54,1308 7.246,1309 85.94,1310 85.94,1311 17,1312 12.809,1313 4,1314 3.392,1315 54.304,1316 92,1317 100,1318 0.282,1319 216.716,1320 387.8,1321 520.548,1322 11010,1323 3.9,1324 21.836,1325 0.728,1326 0.608,1327 22.836,1328 18.237,1329 14.383,1330 0.449,1331 0.311,1332 9.107,1333 13.158,1334 8.75,1335 7.262,1336 14.961,1337 9.967,1338 12.674,1339 0.282,1340 0.162,1341 13.378,1342 7.297,1343 10.842,1344 0.175,1345 0.089,1346 11.831,1347 5.515,1348 9.111,1349 0.107,1350 0.045,1351 9.614,1352 3.825,1353 6.872,1354 0.064,1355 0.024,1356 7.289,1357 2.589,1358 0.416,1359 97.35,1360 0.221,1361 27.154,1362 0.873,1363 154,1364 534.698,1365 201.688,1366 563.937,1367 737.66,1368 524,1369 184,1370 483.139,1371 229.199,1372 507.177,1373 745.19,1374 473,1375 4.886} {0 CHEMBL161104,1 1.52,2 10.964,3 2.906,4 8.446,5 104.37,6 7.569,7 0.4,8 3.998,9 4.093,10 3.566,11 3.549,12 5.171,13 3.535,14 4.533,15 4.669,16 3.88,17 3.917,18 5.702,19 3.875,20 4.814,21 5.005,22 3.954,23 4.066,24 5.829,25 3.996,26 4.915,27 5.125,28 3.956,29 4.045,30 5.978,31 3.982,32 4.837,33 5.038,34 3.942,35 4.054,36 5.938,37 3.982,38 4.879,39 5.11,40 3.849,41 4.086,42 5.818,43 3.978,44 4.83,45 5.057,46 3.794,47 4.049,48 5.822,49 3.937,50 4.765,51 4.998,52 3.749,53 3.953,54 5.818,55 3.849,56 0.048,57 0.656,58 9.647,59 4.838,60 16.959,61 5.819,62 0.384,63 1.05,64 18.66,65 7.981,66 51.868,67 9.83,68 0.293,69 1.344,70 26.672,71 10.731,72 58.439,73 13.807,74 0.564,75 1.419,76 31.699,77 11.12,78 78.675,79 14.216,80 0.459,81 1.379,82 27.984,83 10.495,84 75.122,85 13.67,86 0.456,87 1.452,88 30.017,89 11.206,90 66.963,91 15.192,92 0.375,93 1.386,94 28.287,95 10.813,96 70.105,97 14.586,98 0.33,99 1.3,100 26.69,101 9.93,102 59.885,103 13.561,104 19,105 39,106 0.255,107 0.614,108 0.803,109 0.901,110 0.921,111 0.921,112 3.375,113 0.922,114 -3.56,115 -3.53,116 -3.37,118 44,120 3,121 1,124 1,126 1,127 1,133 2,140 6,141 3,143 2,154 2,163 1,167 1,168 13,169 1,171 1,172 9,175 1,177 1,180 12,181 1,186 11,191 1,194 8,195 1,197 1,198 12,203 1,206 7,207 1,209 2,210 8,215 1,218 10,219 1,221 1,222 6,227 1,229 13,230 1,234 8,239 1,242 14,247 5,248 2,255 11,256 1,258 3,259 5,262 2,264 1,267 8,268 1,270 1462,271 19.25,272 19.25,273 19.25,274 19.25,275 19.25,276 17.239,277 18.527,278 11.868,279 19.417,280 14.791,281 14.791,282 14.791,283 14.791,284 14.791,285 11.827,286 19.55,287 5.581,288 15.076,289 4.124,290 1.991,291 0.86,292 0.28,293 0.16,294 0.16,295 4.061,298 1,299 1,300 1,301 642,302 3.464,306 284.443,313 1.755,314 32.255,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 307,327 4.355,328 4.079,329 6.595,330 4.095,331 3.118,332 3.92,333 2.341,334 10.532,335 3.049,336 4.15,337 3.597,338 6.409,339 3.879,340 2.888,341 3.577,342 2.035,343 9.852,344 2.855,345 3.595,346 3.586,347 5.274,348 3.265,349 2.279,350 2.76,351 1.902,352 6.475,353 2.243,354 3.556,355 3.142,356 5.161,357 3.23,358 2.23,359 2.713,360 0.869,361 6.073,362 2.206,363 3.43,364 2.488,365 4.659,366 3.047,367 2.052,368 2.412,369 0.22,370 5.183,371 2.039,372 3.161,373 2.325,374 4.177,375 2.622,376 1.645,377 2.222,379 3.761,380 1.605,381 3.059,382 1.989,383 3.996,384 2.49,385 1.497,386 2.181,388 3.338,389 1.486,390 2.834,391 1.864,392 3.637,393 2.447,394 1.478,395 1.899,397 3.139,398 1.423,399 2.672,400 1.524,401 3.595,402 2.138,403 1.151,404 1.5,406 2.801,407 1.133,408 2.5,409 1.46,410 3.479,411 1.958,412 1,413 1.476,415 2.473,416 0.955,417 2.484,418 1.308,419 3.247,420 1.912,421 1,422 1.136,424 2.136,425 0.903,426 2.17,427 1.173,428 3.054,429 1.77,430 0.775,431 0.942,433 1.662,434 0.766,435 1.922,436 1,437 2.77,438 1.437,439 0.485,440 0.816,442 0.765,443 0.46,444 1.334,445 0.739,446 2.562,447 1.041,448 0.075,449 0.088,451 0.165,452 0.071,453 0.955,454 0.406,455 2.477,456 0.588,457 -0.388,458 -0.43,460 -0.833,461 -0.373,462 13.133,463 0.469,464 0.486,465 0.017,466 34.75,467 1.241,468 17.5,469 0.625,470 17.25,471 0.616,472 23.301,473 0.832,474 30.067,475 0.601,476 26.389,477 0.942,478 6.982,479 0.249,480 6.704,481 0.239,482 0.081,484 0.266,487 0.802,488 1.163,489 0.775,490 1.093,491 0.654,492 0.959,493 0.897,494 1.078,495 0.993,496 1.095,497 0.511,498 1.07,499 0.974,500 1.109,501 0.969,502 1.123,503 0.787,504 1.064,505 1.327,506 0.926,507 1.025,508 0.925,509 0.819,510 0.924,511 1.018,512 1.013,513 1.016,514 1.024,515 0.726,516 1.023,517 0.834,518 0.91,519 0.996,520 0.931,521 0.645,522 0.982,523 0.841,524 0.991,525 1.019,526 0.993,527 0.865,528 1.033,529 0.823,530 1.071,531 0.96,532 1.012,533 0.82,534 1.012,535 4,536 0.128,537 2.667,538 1.5,539 0.987,540 0.875,541 0.586,542 0.293,543 0.225,544 0.195,545 9304,546 29012,547 2.055,548 44,549 4,550 11,551 1,552 2,553 1,554 2,556 1,558 1.715,559 1.953,560 3.418,561 -0.358,562 1,563 1,567 75.978,568 1.52,569 3.653,570 4.783,571 5.364,572 5.484,573 5.484,574 2.923,575 4.236,576 4.769,577 3.615,578 1366.59,579 8.325,580 18323.3,582 1,584 1,585 282.193,586 1.255,587 4.752,588 0.133,589 0.007,590 0.068,591 0.037,592 0.025,593 0.022,594 0.016,595 0.008,596 0.007,597 0.007,598 0.33,599 0.33,600 1,601 1.647,602 140.873,603 -0.047,604 -0.063,605 0.032,606 -0.024,607 -0.022,608 0.012,609 0.1,610 -0.042,611 -0.097,612 -0.069,613 0.105,614 -0.111,615 -0.061,616 -0.139,617 -0.023,618 -0.112,619 -0.053,620 -0.07,621 -0.126,622 0.02,623 -0.004,624 0.045,625 -0.035,626 0.042,627 -0.033,628 -0.021,629 -0.049,630 -0.04,631 0.028,632 -0.048,633 -0.049,634 0.071,635 -0.031,636 0.056,637 -0.045,638 0.023,639 -0.082,640 -0.014,641 -0.065,642 0.003,643 -0.102,644 -0.023,645 -0.049,646 -0.093,647 0.006,648 -0.028,649 -0.055,650 -0.006,651 2.471,652 3.621,653 0.643,654 30.515,655 1.007,656 1.12,657 2.327,658 5.417,659 0.669,660 3.434,661 3.689,662 3.932,663 4.174,664 4.407,665 4.443,666 4.615,667 4.727,668 4.779,669 4.779,670 6.678,671 0.643,672 378.46,673 3.434,674 4.934,675 5.759,676 6.611,677 7.461,678 8.326,679 9.189,680 10.062,681 10.934,682 11.811,683 4,692 1,693 1,699 8,700 1,704 3,706 12,707 1,724 50,726 15,727 1,728 30,730 52,731 22,733 11,734 2,735 4,739 3,740 3,748 1,749 1,751 4,752 1,753 14,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,840 28,845 1,846 4,848 2,850 3,853 1,858 1,860 1,862 8,864 1,865 1,866 2,869 14.333,870 8.683,871 6.444,872 2.969,874 2.229,875 1.311,876 0.925,877 7.055,878 9.391,879 3.714,880 4.159,881 4.63,882 5.106,883 5.565,884 5.569,885 5.888,886 6.123,887 6.425,888 6.699,889 1,890 41,891 10.349,893 4.344,894 7.935,895 19.507,897 15.749,899 2.435,900 68.167,903 1,904 247.193,905 133.529,906 47.845,908 89.828,911 133.529,912 337.021,913 47.845,915 12.196,916 76.17,917 147.667,918 58.711,919 11.771,920 211.88,922 247.193,923 181.374,924 89.828,927 235.422,928 79.599,929 22,930 0.36,931 61.35,932 83.926,933 35.738,935 247.193,936 137.673,937 133.529,940 247.553,941 22.663,942 93.905,943 16.602,944 137.673,945 247.193,946 137.673,947 133.529,949 0.557,950 0.318,951 0.176,952 0.097,953 16,954 7,955 0.135,956 7,958 1,959 3.977,960 231.814,962 18,963 134.606,968 19.917,969 9.917,970 5.349,972 137.673,973 14.599,974 4.199,978 2.202,980 42.683,981 518.395,982 40,987 10.621,989 3.86,991 -0.804,994 50.349,995 55.986,996 0.269,997 0.647,998 0.848,999 0.95,1000 0.972,1001 0.972,1002 4.927,1003 1.478,1004 5.7,1005 3.338,1006 4.369,1007 4.844,1008 3.25,1009 6.463,1010 4.33,1011 6.083,1012 1.151,1013 7.222,1014 3.139,1015 3.761,1016 4.27,1017 2.521,1018 7.322,1019 3.727,1020 7.343,1021 1,1022 8.854,1023 2.801,1024 5.894,1025 6.838,1026 4.518,1027 10.44,1028 5.822,1029 8.633,1030 1,1031 10.556,1032 2.473,1033 6.176,1034 7.126,1035 4.358,1036 12.203,1037 6.101,1038 9.956,1039 0.775,1040 12.306,1041 2.136,1042 7.724,1043 9.128,1044 5.948,1045 14.818,1046 7.617,1047 11.303,1048 0.485,1049 14.09,1050 1.662,1051 8.441,1052 9.866,1053 6.075,1054 16.926,1055 8.323,1056 12.67,1057 0.075,1058 15.897,1059 0.765,1060 9.737,1061 11.589,1062 7.453,1063 19.367,1064 9.591,1065 3.118,1066 -0.388,1067 17.721,1068 0.165,1069 10.668,1070 12.58,1071 7.759,1072 21.61,1073 10.506,1074 2.888,1075 10.532,1076 19.557,1077 -0.833,1078 11.856,1079 14.149,1080 9.005,1081 23.986,1082 11.669,1083 2.279,1084 9.852,1085 21.402,1086 3.92,1087 12.889,1088 15.287,1089 9.435,1090 26.283,1091 12.682,1092 2.23,1093 6.475,1094 23.254,1095 3.577,1096 14.033,1097 16.768,1098 10.59,1099 28.635,1100 13.804,1101 2.052,1102 6.073,1103 25.111,1104 2.76,1105 15.113,1106 17.992,1107 11.114,1108 30.955,1109 14.862,1110 1.645,1111 5.183,1112 26.972,1113 2.713,1114 16.241,1115 19.421,1116 12.201,1117 33.298,1118 15.968,1119 1.497,1120 3.761,1121 28.836,1122 2.412,1123 17.343,1124 20.696,1125 12.798,1126 35.628,1127 17.048,1128 9230,1129 16369,1130 20.167,1131 33.443,1132 45.11,1133 46.687,1134 44.505,1135 43.316,1136 43.346,1137 55.286,1138 14.733,1139 116.705,1140 42.389,1141 5.355,1142 6.079,1143 6.396,1144 5.167,1145 5.118,1146 6.92,1147 4.376,1148 17.366,1149 5.049,1150 12.59,1151 1.504,1152 1.556,1153 1.483,1154 1.444,1155 1.445,1156 1.843,1157 0.491,1158 3.89,1159 1.413,1160 4.002,1161 4.025,1162 3.943,1163 3.907,1164 7.474,1165 3.911,1166 3.88,1167 3.912,1168 3.821,1169 3.806,1170 6.82,1171 3.805,1172 3.754,1173 3.799,1174 3.649,1175 3.643,1176 6.351,1177 3.636,1178 3.617,1179 3.652,1180 3.517,1181 3.442,1182 4.938,1183 3.449,1184 3.369,1185 3.39,1186 3.276,1187 3.15,1188 4.798,1189 3.172,1190 3.184,1191 3.237,1192 3.143,1193 3.034,1194 4.582,1195 3.053,1196 3.08,1197 3.118,1198 2.958,1199 2.909,1200 4.367,1201 2.914,1202 2.963,1203 3.013,1204 2.826,1205 2.794,1206 4.066,1207 2.79,1208 0.145,1209 0.136,1210 0.22,1211 0.137,1212 0.104,1213 4.355,1214 0.131,1215 4.079,1216 0.078,1217 6.595,1218 0.351,1219 4.095,1220 0.102,1221 3.118,1222 3.92,1223 2.341,1224 10.532,1225 3.049,1226 1.942,1227 1.921,1228 2.057,1229 2.065,1230 1.36,1231 2.061,1232 1.874,1233 1.843,1234 1.996,1235 1.966,1236 1.145,1237 1.976,1238 1.748,1239 1.704,1240 1.925,1241 1.892,1242 1.108,1243 1.906,1244 1.571,1245 1.529,1246 1.784,1247 1.772,1248 0.935,1249 1.773,1250 1.284,1251 1.254,1252 1.51,1253 1.537,1254 0.661,1255 1.52,1256 1.124,1257 1.08,1258 1.278,1259 1.302,1260 0.465,1261 1.289,1262 1.032,1263 0.991,1264 1.223,1265 1.267,1266 0.397,1267 1.25,1268 0.94,1269 0.888,1270 1.215,1271 1.164,1272 0.272,1273 1.179,1274 4.111,1276 5.38,1278 6.855,1280 8.431,1282 10.062,1289 8.729,1290 1.784,1292 12.212,1294 -0.785,1298 9.368,1299 2.185,1300 32.17,1301 75.978,1302 182.655,1303 239.173,1304 268.193,1305 274.193,1306 274.193,1307 61.267,1308 7.162,1309 92.44,1310 92.44,1311 18,1312 12.351,1313 4,1314 3.459,1315 49.45,1316 105,1317 134,1318 0.22,1319 199.921,1320 361.04,1321 479.568,1322 11330,1324 19.769,1325 0.706,1326 0.55,1327 19.769,1328 15.4,1329 13.686,1330 0.456,1331 0.307,1332 9.094,1333 13.187,1334 8.936,1335 7.382,1336 13.686,1337 9.215,1338 11.544,1339 0.296,1340 0.169,1341 11.544,1342 6.607,1343 9.298,1344 0.186,1345 0.093,1346 9.298,1347 4.639,1348 7.689,1349 0.12,1350 0.05,1351 7.689,1352 3.232,1353 6.328,1354 0.078,1355 0.028,1356 6.328,1357 2.229,1358 0.343,1359 85.848,1360 0.223,1361 26.82,1362 0.61,1363 138,1364 446.647,1365 152.481,1366 424.837,1367 559.19,1368 396,1369 158,1370 383.188,1371 171.793,1372 387.211,1373 562.02,1374 363,1375 7.268} {0 CHEMBL161105,1 1.567,2 10.852,3 3.692,4 13.629,5 103.437,6 7.916,7 0.414,8 3.981,9 4.074,10 3.588,11 3.538,12 5.099,13 3.515,14 4.526,15 4.66,16 3.935,17 3.914,18 5.689,19 3.863,20 4.803,21 4.992,22 4.022,23 4.059,24 5.793,25 3.974,26 4.894,27 5.099,28 4.031,29 4.021,30 5.93,31 3.941,32 4.782,33 4.98,34 3.932,35 4.03,36 5.748,37 3.939,38 4.863,39 5.09,40 3.89,41 4.074,42 5.777,43 3.95,44 4.793,45 5.014,46 3.868,47 4.028,48 5.744,49 3.901,50 4.742,51 4.969,52 3.822,53 3.931,54 5.753,55 3.803,56 0.059,57 0.623,58 9.331,59 4.836,60 12.878,61 5.82,62 0.403,63 1.008,64 18.812,65 8.072,66 50.152,67 9.865,68 0.344,69 1.264,70 28.794,71 11.019,72 55.268,73 13.864,74 0.794,75 1.295,76 37.263,77 11.533,78 78.007,79 14.202,80 0.38,81 1.255,82 28.13,83 10.672,84 49.708,85 13.587,86 0.526,87 1.353,88 33.866,89 11.577,90 60.165,91 15.238,92 0.394,93 1.261,94 29.923,95 11.086,96 55.601,97 14.508,98 0.452,99 1.159,100 32.501,101 10.378,102 57.492,103 13.61,104 16,105 38,106 0.266,107 0.609,108 0.805,109 0.906,110 0.927,111 0.927,112 3.34,113 0.963,114 -4.4,115 -4.34,116 -4.09,118 42.9,120 3,121 1,124 1,126 1,127 1,133 2,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 8,175 1,177 1,180 12,181 1,186 7,191 1,194 9,195 1,197 1,198 12,203 1,206 8,207 1,210 7,215 1,218 8,219 1,221 1,222 6,227 1,229 13,230 1,234 5,239 1,242 14,247 4,248 2,255 12,256 1,258 2,259 3,262 2,264 1,267 8,268 1,270 1335,271 18.38,272 18.38,273 18.38,274 18.38,275 18.38,276 16.408,277 16.864,278 11.347,279 18.648,280 14.353,281 14.353,282 14.353,283 14.353,284 14.353,285 11.579,286 17.882,287 5.429,288 14.851,289 4.048,290 2.031,291 0.878,292 0.286,293 0.163,294 0.163,295 4.025,297 1,298 1,299 1,300 1,301 615,302 3.317,306 274.236,313 1.72,314 29.896,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 58.833,326 293,327 4.303,328 3.63,329 6.58,330 4.078,331 3.111,332 3.842,333 2.341,334 10.469,335 2.999,336 4.13,337 3.597,338 6.373,339 3.834,340 2.867,341 3.575,342 1.902,343 9.675,344 2.764,345 3.571,346 3.231,347 5.255,348 3.259,349 2.273,350 2.751,351 0.869,352 6.423,353 2.237,354 3.536,355 2.722,356 5.042,357 3.222,358 2.227,359 2.709,360 0.22,361 5.726,362 2.193,363 3.226,364 2.37,365 4.659,366 2.962,367 2.007,368 2.351,370 5.182,371 1.888,372 3.072,373 2.007,374 4.153,375 2.617,376 1.641,377 2.183,379 3.733,380 1.598,381 2.861,382 1.865,383 3.905,384 2.447,385 1.48,386 2.013,388 3.192,389 1.423,390 2.831,391 1.667,392 3.634,393 2.352,394 1.414,395 1.896,397 3.099,398 1.263,399 2.5,400 1.463,401 3.582,402 2.133,403 1.147,404 1.5,406 2.799,407 1.122,408 2.484,409 1.31,410 3.479,411 1.958,412 1,413 1.476,415 2.473,416 0.955,417 2.17,418 1.174,419 3.247,420 1.912,421 1,422 1.136,424 2.136,425 0.903,426 1.923,427 1,428 3.053,429 1.768,430 0.773,431 0.836,433 1.66,434 0.764,435 1.35,436 0.74,437 2.645,438 1.068,439 0.118,440 0.137,442 0.271,443 0.107,444 1.041,445 0.479,446 2.535,447 0.678,448 -0.208,449 -0.242,451 -0.463,452 -0.153,453 0.771,454 0.263,455 2.18,456 0.507,457 -0.451,458 -0.496,460 -1.045,461 -0.421,462 12.948,463 0.48,464 0.524,465 0.019,466 31.25,467 1.157,468 14.5,469 0.537,470 16.75,471 0.62,472 24.157,473 0.895,474 29.652,475 0.605,476 23.006,477 0.852,478 6.339,479 0.235,480 6.809,481 0.252,482 0.107,484 0.27,487 0.779,488 1.2,489 0.655,490 1.033,491 0.724,492 0.945,493 0.877,494 1.134,495 0.821,496 1.034,497 0.561,498 1.048,499 0.989,500 1.14,501 0.908,502 1.078,503 0.888,504 1.051,505 1.257,506 0.856,507 1.064,508 0.943,509 0.837,510 0.928,511 0.978,512 1.083,513 0.881,514 1.011,515 0.644,516 1.021,517 0.885,518 0.898,519 1.024,520 0.925,521 0.676,522 0.977,523 0.836,524 1.031,525 0.919,526 0.97,527 0.781,528 1.021,529 0.919,530 0.997,531 1.179,532 1.038,533 0.868,534 1.024,535 4,536 0.115,537 2.667,538 1.5,539 0.947,540 0.813,541 0.566,542 0.266,543 0.225,544 0.185,545 8547,546 27331,547 2.057,548 44.9,549 4,550 11,551 1,552 2,553 1,554 2,556 1,558 1.705,559 1.952,560 3.398,561 -0.346,563 1,567 76.775,568 1.567,569 3.583,570 4.737,571 5.329,572 5.451,573 5.451,574 2.921,575 4.533,576 4.717,577 3.59,578 1260.19,579 8.216,580 16465.2,582 1,584 1,585 275.121,586 1.277,587 4.698,588 0.138,589 0.007,590 0.07,591 0.038,592 0.026,593 0.022,594 0.016,595 0.008,596 0.008,597 0.008,598 0.34,599 0.17,600 1,601 1.585,602 134.292,603 -0.048,604 -0.068,605 0.018,606 -0.022,607 -0.065,608 0.012,609 0.085,610 -0.064,611 -0.049,612 -0.055,613 0.128,614 -0.106,615 -0.071,616 -0.15,617 -0.006,618 -0.093,619 -0.077,620 -0.07,621 -0.039,622 0.09,623 -0.006,624 0.029,625 -0.016,626 0.034,627 -0.093,628 -0.086,629 -0.031,630 -0.038,631 -0.018,632 -0.042,633 -0.071,634 0.099,635 -0.062,636 0.051,637 -0.055,638 0.018,639 -0.068,640 -0.051,641 -0.006,642 0.016,643 -0.068,644 -0.016,645 -0.059,646 -0.029,647 -0.048,648 -0.035,649 -0.07,650 -0.017,651 2.459,652 3.608,653 0.667,654 28.716,655 1.009,656 1.119,657 3.175,658 10.08,659 0.675,660 3.401,661 3.664,662 3.892,663 4.127,664 4.357,665 4.394,666 4.564,667 4.663,668 4.7,669 4.71,670 6.554,671 0.643,672 387.89,673 3.401,674 4.905,675 5.727,676 6.578,677 7.425,678 8.288,679 9.149,680 10.02,681 10.889,682 11.765,683 2,693 1,699 8,700 1,704 3,706 12,723 1,724 49,726 14,727 1,728 29,730 51,731 21,733 11,734 2,735 4,739 3,740 3,741 1,748 1,749 1,751 4,753 14,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,837 1,840 27,845 1,846 4,848 2,850 3,861 1,862 8.2,864 1,865 1,866 2,869 13.833,870 8.376,871 6.111,872 2.893,874 1.972,875 1.279,876 0.929,877 7.133,878 9.044,879 3.638,880 4.111,881 4.538,882 4.99,883 5.447,884 5.406,885 5.709,886 5.996,887 6.27,888 6.556,889 1,890 39,891 9.992,893 4.196,894 7.862,895 18.959,897 15.383,899 2.362,900 63.778,902 1,903 1,904 247.193,905 117.242,906 16.786,907 39.149,908 89.828,911 117.242,912 376.17,913 16.786,915 12.196,916 76.17,917 131.066,918 27.967,919 11.771,920 211.88,921 39.149,922 247.193,923 134.028,924 89.828,925 39.149,927 235.422,928 79.599,929 22,930 0.36,931 30.291,932 67.639,933 74.887,935 247.193,936 106.614,937 156.391,940 247.553,941 22.978,942 93.905,944 145.762,945 247.193,946 106.614,947 156.391,949 0.562,950 0.314,951 0.17,952 0.094,953 16,954 7,955 0.137,956 7,958 1,959 3.912,960 219.968,962 18,963 128.382,968 19.715,969 9.768,970 5.471,972 106.614,973 14.92,974 4.209,978 2.407,980 42.683,981 510.197,982 37,987 10.608,989 3.897,991 -0.792,994 49.454,995 54.847,996 0.279,997 0.638,998 0.844,999 0.949,1000 0.971,1001 0.971,1002 4.844,1003 1.414,1004 5.673,1005 3.192,1006 4.344,1007 4.796,1008 2.863,1009 6.431,1010 4.273,1011 5.99,1012 1.147,1013 7.194,1014 3.099,1015 3.761,1016 4.27,1017 2.521,1018 7.273,1019 3.637,1020 7.246,1021 1,1022 8.824,1023 2.799,1024 5.866,1025 6.778,1026 4.05,1027 10.391,1028 5.737,1029 8.533,1030 1,1031 10.524,1032 2.473,1033 6.155,1034 7.07,1035 4.358,1036 12.137,1037 5.967,1038 9.853,1039 0.773,1040 12.272,1041 2.136,1042 7.694,1043 9.053,1044 5.485,1045 14.752,1046 7.497,1047 11.196,1048 0.118,1049 14.053,1050 1.66,1051 8.411,1052 9.769,1053 6.075,1054 16.846,1055 8.156,1056 12.56,1057 -0.208,1058 15.857,1059 0.271,1060 9.703,1061 11.491,1062 7.037,1063 19.284,1064 9.431,1065 3.111,1066 -0.451,1067 17.678,1068 -0.463,1069 10.631,1070 12.448,1071 7.759,1072 21.516,1073 10.306,1074 2.867,1075 10.469,1076 19.511,1077 -1.045,1078 11.817,1079 14.021,1080 8.65,1081 23.887,1082 11.466,1083 2.273,1084 9.675,1085 21.354,1086 3.842,1087 12.846,1088 15.119,1089 9.435,1090 26.175,1091 12.448,1092 2.227,1093 6.423,1094 23.203,1095 3.575,1096 13.988,1097 16.602,1098 10.298,1099 28.52,1100 13.56,1101 2.007,1102 5.726,1103 25.058,1104 2.751,1105 15.065,1106 17.788,1107 11.114,1108 30.832,1109 14.593,1110 1.641,1111 5.182,1112 26.916,1113 2.709,1114 16.191,1115 19.215,1116 11.966,1117 33.169,1118 15.685,1119 1.48,1120 3.733,1121 28.778,1122 2.351,1123 17.29,1124 20.456,1125 12.798,1126 35.492,1127 16.745,1128 8450,1129 15188,1130 19.474,1131 33.057,1132 42.742,1133 43.253,1134 43.076,1135 42.294,1136 42.118,1137 52.81,1138 10.663,1139 113.674,1140 40.434,1141 5.303,1142 5.63,1143 6.382,1144 5.15,1145 5.111,1146 6.842,1147 3.925,1148 17.251,1149 4.999,1150 12.172,1151 1.474,1152 1.491,1153 1.485,1154 1.458,1155 1.452,1156 1.821,1157 0.368,1158 3.92,1159 1.394,1160 3.994,1161 4.017,1162 4.028,1163 3.898,1164 7.474,1165 3.899,1166 3.868,1167 3.896,1168 3.858,1169 3.801,1170 6.351,1171 3.797,1172 3.754,1173 3.798,1174 3.651,1175 3.642,1176 4.988,1177 3.636,1178 3.615,1179 3.651,1180 3.524,1181 3.441,1182 4.892,1183 3.448,1184 3.368,1185 3.39,1186 3.31,1187 3.15,1188 4.686,1189 3.172,1190 3.088,1191 3.125,1192 3.262,1193 2.93,1194 4.37,1195 2.93,1196 2.963,1197 3.014,1198 2.959,1199 2.796,1200 4.331,1201 2.79,1202 2.879,1203 2.922,1204 2.826,1205 2.792,1206 4.066,1207 2.767,1208 0.148,1209 0.125,1210 0.227,1211 0.141,1212 0.107,1213 4.303,1214 0.132,1215 3.63,1216 0.081,1217 6.58,1218 0.361,1219 4.078,1220 0.103,1221 3.111,1222 3.842,1223 2.341,1224 10.469,1225 2.999,1226 1.929,1227 1.908,1228 2.051,1229 2.059,1230 1.36,1231 2.056,1232 1.863,1233 1.834,1234 1.973,1235 1.947,1236 1.142,1237 1.961,1238 1.748,1239 1.704,1240 1.925,1241 1.892,1242 1.1,1243 1.906,1244 1.57,1245 1.529,1246 1.783,1247 1.77,1248 0.935,1249 1.772,1250 1.284,1251 1.254,1252 1.51,1253 1.536,1254 0.661,1255 1.52,1256 1.047,1257 1.009,1258 1.271,1259 1.276,1260 0.465,1261 1.269,1262 0.94,1263 0.888,1264 1.215,1265 1.164,1266 0.397,1267 1.179,1268 0.868,1269 0.824,1270 1.138,1271 1.095,1272 0.272,1273 1.113,1274 4.078,1276 5.352,1278 6.828,1280 8.401,1282 10.029,1285 6.3,1289 8.72,1290 1.894,1292 12.222,1294 -0.608,1300 31.503,1301 76.775,1302 175.583,1303 232.101,1304 261.121,1305 267.121,1306 267.121,1307 55.871,1308 7.072,1309 68.65,1310 68.65,1311 18,1312 12.306,1313 3.907,1314 3.17,1315 46.782,1316 99,1317 126,1318 0.22,1319 197.722,1320 353.23,1321 474.203,1322 10097,1323 2,1324 19.062,1325 0.706,1326 0.577,1327 19.562,1328 15.587,1329 13.148,1330 0.453,1331 0.321,1332 8.847,1333 12.4,1334 8.663,1335 7.134,1336 13.437,1337 9.309,1338 11.353,1339 0.299,1340 0.18,1341 11.723,1342 6.837,1343 8.984,1344 0.187,1345 0.1,1346 9.342,1347 4.807,1348 7.37,1349 0.121,1350 0.054,1351 7.692,1352 3.318,1353 6.002,1354 0.078,1355 0.03,1356 6.22,1357 2.276,1358 0.343,1359 85.442,1360 0.227,1361 26.05,1362 0.609,1363 134,1364 429.205,1365 163.306,1366 433.09,1367 563.93,1368 404,1369 153,1370 366.642,1371 177.837,1372 378.008,1373 553.14,1374 355,1375 7.319} {0 CHEMBL161304,1 1.512,2 13.313,3 4.2,4 17.643,5 126.534,6 7.264,7 0.353,8 4.214,9 4.315,10 3.783,11 3.756,12 5.279,13 3.706,14 4.773,15 4.927,16 4.119,17 4.121,18 5.853,19 4.052,20 5.049,21 5.222,22 4.188,23 4.267,24 6.049,25 4.18,26 5.184,27 5.406,28 4.106,29 4.295,30 6.094,31 4.192,32 5.12,33 5.325,34 4.141,35 4.342,36 6.035,37 4.231,38 5.28,39 5.541,40 4.117,41 4.363,42 6.11,43 4.228,44 5.169,45 5.396,46 4.108,47 4.32,48 6.066,49 4.184,50 5.13,51 5.377,52 4.056,53 4.286,54 5.995,55 4.132,56 0.025,57 0.825,58 14.363,59 6.754,60 13.957,61 8.237,62 0.395,63 1.334,64 29.446,65 11.289,66 56.958,67 13.78,68 0.614,69 1.646,70 38.341,71 14.009,72 66.095,73 17.303,74 0.757,75 1.796,76 45.324,77 15.343,78 79.864,79 19.536,80 0.287,81 1.815,82 38.437,83 15.153,84 54.599,85 20.231,86 0.559,87 2.024,88 47.825,89 17.007,90 73.218,91 23.337,92 0.59,93 1.838,94 43.364,95 15.679,96 71.642,97 20.376,98 0.493,99 1.838,100 48.197,101 16.011,102 60.192,103 20.685,104 35,105 46,106 0.244,107 0.586,108 0.798,109 0.862,110 0.868,111 0.868,112 3.502,113 1.057,114 -4.27,115 -4.2,116 -3.97,118 39.7,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 10,175 1,177 1,180 11,181 1,185 2,186 11,191 1,194 9,195 1,197 1,198 6,203 1,206 9,207 1,210 12,215 1,218 12,219 1,221 1,222 11,227 1,229 7,230 1,233 1,234 8,239 1,242 13,247 4,248 2,255 12,256 1,258 2,259 5,262 2,264 1,267 11,268 1,270 2068,271 21.377,272 21.377,273 21.377,274 21.377,275 21.377,276 19.46,277 23.076,278 12.904,279 21.947,280 16.747,281 16.747,282 16.747,283 16.747,284 16.747,285 13.973,286 26.963,287 6.101,288 17.543,289 4.465,290 2.348,291 1.036,292 0.639,293 0.607,294 0.607,295 4.183,299 1,300 1,301 884,302 4.359,306 352.084,313 2.164,314 32.39,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 69.5,326 426,327 4.428,328 4.327,329 7.315,330 4.361,331 3.408,332 3.675,333 2.95,334 12.546,335 3.242,336 4.143,337 3.801,338 6.5,339 3.953,340 2.984,341 3.585,342 2.341,343 10.191,344 2.889,345 3.983,346 3.597,347 5.496,348 3.552,349 2.606,350 3.333,351 1.465,352 7.314,353 2.458,354 3.567,355 3.332,356 5.252,357 3.257,358 2.268,359 2.744,360 0.86,361 6.436,362 2.237,363 3.52,364 2.749,365 5.159,366 3.219,367 2.225,368 2.715,369 0.811,370 6.258,371 2.193,372 3.414,373 2.513,374 4.716,375 3.032,376 2.12,377 2.639,379 5.184,380 1.907,381 3.115,382 2.389,383 4.658,384 2.695,385 1.721,386 2.201,388 4.878,389 1.668,390 2.85,391 2.196,392 4.128,393 2.515,394 1.559,395 1.93,397 3.653,398 1.488,399 2.606,400 1.937,401 3.637,402 2.438,403 1.458,404 1.598,406 3.137,407 1.419,408 2.5,409 1.861,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.405,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1.219,428 3.284,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.247,438 1.773,439 0.78,440 0.834,442 1.673,443 0.769,444 1.728,445 1,446 3.024,447 1.389,448 0.587,449 0.647,451 0.989,452 0.459,453 1.286,454 0.923,455 2.755,456 1.037,457 0.074,458 0.084,460 0.171,461 0.07,462 15.4,463 0.481,464 0.786,465 0.025,466 35,467 1.094,468 15.5,469 0.484,470 19.5,471 0.609,472 34.516,473 1.079,474 36.2,475 0.575,476 26.996,477 0.844,478 6.577,479 0.206,480 8.809,481 0.275,482 0.141,483 0.032,484 0.227,487 0.83,488 1.232,489 0.811,490 1.102,491 0.793,492 1.041,493 0.969,494 1.119,495 1.043,496 1.127,497 0.573,498 1.016,499 1.306,500 1.115,501 1.079,502 1.08,503 1,504 1.103,505 1.477,506 0.8,507 0.992,508 0.79,509 0.922,510 0.877,511 0.846,512 1.225,513 0.854,514 1.12,515 0.602,516 1.182,517 0.874,518 0.881,519 0.729,520 0.804,521 0.577,522 0.888,523 1.154,524 0.965,525 0.94,526 0.893,527 0.851,528 1.009,529 0.824,530 1.006,531 1.156,532 1.129,533 0.743,534 0.995,535 7,536 0.219,537 3.556,538 1.875,539 1.707,540 1.236,541 0.708,542 0.592,543 0.381,544 0.201,545 13700,546 39244,547 2.004,548 49.2,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.748,559 1.873,560 3.651,561 -0.372,563 1,567 95.283,568 1.512,569 3.629,570 4.941,571 5.338,572 5.37,573 5.37,574 3.233,575 4.093,576 4.959,577 3.844,578 1906.78,579 8.702,580 28490.4,585 376.569,586 1.501,587 4.922,588 0.206,589 0.007,590 0.077,591 0.04,592 0.038,593 0.027,594 0.016,595 0.014,596 0.01,597 0.006,598 0.44,599 0.17,600 1,601 1.606,602 169.388,603 -0.03,604 -0.075,605 0.062,606 -0.012,607 -0.085,608 0.006,609 0.105,610 -0.037,611 -0.014,612 -0.05,613 0.174,614 -0.011,615 -0.033,616 -0.108,617 -0.125,618 -0.102,619 -0.084,620 -0.137,621 -0.189,622 0.144,623 -0.068,624 0.117,625 -0.099,626 0.067,627 -0.029,628 -0.233,629 -0.077,630 -0.209,631 -0.006,632 -0.189,633 -0.005,634 0.054,635 0.087,636 0.056,637 0.023,638 0.078,639 -0.113,640 -0.001,641 -0.045,642 0.03,643 -0.098,644 -0.041,645 -0.031,646 0.01,647 -0.047,648 -0.065,649 -0.04,650 0.014,651 2.458,652 3.701,653 0.563,654 40.492,655 1.001,656 1.122,657 3.037,658 9.221,659 0.656,660 3.555,661 3.85,662 4.043,663 4.248,664 4.489,665 4.554,666 4.682,667 4.754,668 4.771,669 4.804,670 7.635,671 0.614,672 457.64,673 3.555,674 5.081,675 5.9,676 6.763,677 7.607,678 8.48,679 9.339,680 10.219,681 11.086,682 11.971,683 1.6,693 1,699 8,700 1,704 3,706 12,722 1,724 63,726 14,727 1,728 34,730 65,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 31,773 6,774 1,775 7,776 1,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 3,840 32,845 1,846 4,848 3,849 1,850 3,852 1,862 7.9,864 1,865 1,866 2,867 1,869 17.083,870 11.817,871 7.181,872 3.642,874 1.838,875 1.25,876 0.906,877 9.03,878 9.188,879 3.761,880 4.234,881 4.615,882 5.043,883 5.514,884 5.493,885 5.728,886 5.937,887 6.045,888 6.251,889 1,890 47,891 11.885,893 4.944,894 7.758,895 22.755,897 18.352,899 2.258,900 72.25,903 1,904 353.133,905 174.41,906 16.786,908 100.828,910 32.22,911 142.191,912 453.961,913 16.786,914 24.841,915 12.196,916 76.17,917 131.066,918 39.074,919 11.771,920 350.039,922 353.133,923 158.976,924 100.828,925 32.22,927 270.735,928 161.226,929 22,930 0.36,931 47.941,932 74.937,933 35.738,934 32.22,935 353.133,936 117.613,937 174.41,940 353.493,941 55.305,942 118.746,944 117.613,945 353.133,946 117.613,947 174.41,949 0.571,950 0.315,951 0.16,952 0.09,953 19,954 9,955 0.154,956 10,958 1,959 4.283,960 276.82,962 18,963 154,964 1,968 24.626,969 11.735,970 7.253,972 117.613,973 15.455,974 4.257,978 2.933,980 42.683,981 645.157,982 42,987 10.701,989 3.921,991 -0.791,994 63.069,995 70.693,996 0.253,997 0.607,998 0.827,999 0.893,1000 0.898,1001 0.898,1002 4.997,1003 1.559,1004 5.894,1005 4.878,1006 4.533,1007 4.92,1008 3.528,1009 6.701,1010 4.445,1011 6.166,1012 1.458,1013 7.456,1014 3.653,1015 4.205,1016 4.559,1017 2.243,1018 7.861,1019 4.077,1020 7.45,1021 1,1022 9.139,1023 3.137,1024 6.159,1025 6.901,1026 5.3,1027 10.884,1028 5.987,1029 8.764,1030 1,1031 10.899,1032 2.477,1033 6.673,1034 7.272,1035 4.112,1036 12.921,1037 6.449,1038 10.109,1039 1,1040 12.714,1041 2.275,1042 8.131,1043 9.147,1044 7.327,1045 15.562,1046 7.87,1047 11.477,1048 0.78,1049 14.569,1050 2.136,1051 9.028,1052 9.862,1053 5.889,1054 17.908,1055 8.71,1056 12.862,1057 0.587,1058 16.452,1059 1.673,1060 10.307,1061 11.523,1062 9.43,1063 20.451,1064 9.951,1065 3.408,1066 0.074,1067 18.357,1068 0.989,1069 11.378,1070 12.432,1071 7.625,1072 22.906,1073 10.965,1074 2.984,1075 12.546,1076 20.278,1077 0.171,1078 12.598,1079 13.97,1080 11.561,1081 25.426,1082 12.142,1083 2.606,1084 10.191,1085 22.212,1086 3.675,1087 13.745,1088 15,1089 9.342,1090 27.919,1091 13.234,1092 2.268,1093 7.314,1094 24.156,1095 3.585,1096 14.951,1097 16.459,1098 13.706,1099 30.437,1100 14.393,1101 2.225,1102 6.436,1103 26.108,1104 3.333,1105 16.133,1106 17.57,1107 11.051,1108 32.947,1109 15.522,1110 2.12,1111 6.258,1112 28.067,1113 2.744,1114 17.338,1115 18.976,1116 15.858,1117 35.466,1118 16.677,1119 1.721,1120 5.184,1121 30.03,1122 2.715,1123 18.536,1124 20.142,1125 12.755,1126 37.984,1127 17.824,1128 13600,1129 23108,1130 22.246,1131 41.347,1132 50.402,1133 53.935,1134 50.955,1135 49.596,1136 49.582,1137 60.245,1138 16.854,1139 138.636,1140 47.316,1141 5.428,1142 6.327,1143 7.117,1144 5.437,1145 5.408,1146 6.675,1147 5.9,1148 19.977,1149 5.242,1150 17.261,1151 1.482,1152 1.586,1153 1.499,1154 1.459,1155 1.458,1156 1.772,1157 0.496,1158 4.078,1159 1.392,1160 3.986,1161 4.012,1162 4.009,1163 3.884,1164 7.474,1165 3.878,1166 3.887,1167 3.908,1168 3.888,1169 3.826,1170 6.351,1171 3.815,1172 3.759,1173 3.803,1174 3.679,1175 3.645,1176 4.951,1177 3.64,1178 3.696,1179 3.73,1180 3.622,1181 3.541,1182 4.856,1183 3.545,1184 3.555,1185 3.601,1186 3.495,1187 3.402,1188 4.71,1189 3.398,1190 3.326,1191 3.354,1192 3.382,1193 3.176,1194 4.388,1195 3.131,1196 3.203,1197 3.272,1198 3.205,1199 3.109,1200 4.311,1201 3.053,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.066,1207 2.791,1208 0.13,1209 0.127,1210 0.215,1211 0.128,1212 0.1,1213 4.428,1214 0.108,1215 4.327,1216 0.087,1217 7.315,1218 0.369,1219 4.361,1220 0.095,1221 3.408,1222 3.675,1223 2.95,1224 12.546,1225 3.242,1226 1.91,1227 1.884,1228 2.047,1229 2.057,1230 1.362,1231 2.052,1232 1.874,1233 1.854,1234 1.97,1235 1.964,1236 1.15,1237 1.974,1238 1.749,1239 1.706,1240 1.926,1241 1.893,1242 1.115,1243 1.906,1244 1.66,1245 1.623,1246 1.865,1247 1.837,1248 1.044,1249 1.848,1250 1.535,1251 1.485,1252 1.771,1253 1.724,1254 0.935,1255 1.742,1256 1.253,1257 1.217,1258 1.517,1259 1.506,1260 0.648,1261 1.496,1262 1.215,1263 1.155,1264 1.494,1265 1.403,1266 0.644,1267 1.485,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.234,1276 5.533,1278 7.026,1280 8.607,1282 10.239,1284 5.971,1289 8.796,1290 1.876,1292 18.814,1293 1.687,1294 -0.665,1296 -0.705,1300 38.684,1301 95.283,1302 228.646,1303 311.284,1304 336.304,1305 338.304,1306 338.304,1307 76.82,1308 7.35,1309 77.88,1310 103.18,1311 18,1312 12.508,1313 3.907,1314 3.17,1315 61.026,1316 140,1317 166,1318 0.206,1319 242.886,1320 434.52,1321 584.402,1322 14663,1324 22.976,1325 0.718,1326 0.612,1327 23.33,1328 19.586,1329 15.386,1330 0.453,1331 0.352,1332 10.722,1333 14.292,1334 10.242,1335 8.52,1336 15.944,1337 11.981,1338 13.852,1339 0.301,1340 0.199,1341 14.344,1342 9.169,1343 10.623,1344 0.19,1345 0.108,1346 11.116,1347 6.055,1348 8.366,1349 0.121,1350 0.058,1351 8.688,1352 4.033,1353 6.78,1354 0.077,1355 0.031,1356 7.065,1357 2.736,1358 0.325,1359 102.035,1360 0.212,1361 30.2,1362 0.56,1363 160,1364 487.597,1365 197.601,1366 475.526,1367 631.53,1368 446,1369 182,1370 429.766,1371 213.693,1372 442.074,1373 641.42,1374 412,1375 7.409} {0 CHEMBL161357,1 1.502,2 13.313,3 3.537,4 12.513,5 119.365,6 7.276,7 0.353,8 4.171,9 4.271,10 3.702,11 3.688,12 5.312,13 3.671,14 4.724,15 4.873,16 4.054,17 4.055,18 5.855,19 4.021,20 5.031,21 5.208,22 4.133,23 4.214,24 6.084,25 4.153,26 5.154,27 5.38,28 4.071,29 4.233,30 6.126,31 4.153,32 5.055,33 5.25,34 4.099,35 4.288,36 6.032,37 4.194,38 5.238,39 5.493,40 4.088,41 4.327,42 6.118,43 4.205,44 5.147,45 5.378,46 4.019,47 4.282,48 6.061,49 4.163,50 5.112,51 5.368,52 3.962,53 4.221,54 6.06,55 4.097,56 0.047,57 0.787,58 12.459,59 5.954,60 18.431,61 7.36,62 0.41,63 1.25,64 24.116,65 9.705,66 59.811,67 12.33,68 0.669,69 1.588,70 34.766,71 12.682,72 76.888,73 16.231,74 0.852,75 1.714,76 41.998,77 13.734,78 99.106,79 18.095,80 0.327,81 1.712,82 34.571,83 13.703,84 62.234,85 18.219,86 0.67,87 1.925,88 45.053,89 15.898,90 90.218,91 22.181,92 0.607,93 1.78,94 40.31,95 14.678,96 80.869,97 19.922,98 0.488,99 1.747,100 39.266,101 13.82,102 79.563,103 19.552,104 35,105 46,106 0.243,107 0.604,108 0.794,109 0.861,110 0.867,111 0.867,112 3.502,113 0.937,114 -3.43,115 -3.41,116 -3.26,118 41.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 2,142 1,143 2,154 2,163 1,167 1,168 11,169 1,171 1,172 11,175 1,177 1,180 11,181 1,185 2,186 13,191 1,194 7,195 1,197 1,198 9,203 1,206 9,207 1,210 11,215 1,218 12,219 1,221 2,222 11,227 1,229 9,230 1,233 1,234 10,239 1,242 11,247 4,248 2,255 12,256 1,258 4,259 5,262 2,264 1,267 13,268 1,270 2068,271 21.377,272 21.377,273 21.377,274 21.377,275 21.377,276 19.369,277 24.071,278 12.904,279 21.668,280 16.747,281 16.747,282 16.747,283 16.747,284 16.747,285 13.789,286 27.951,287 6.101,288 17.259,289 4.405,290 2.183,291 1.009,292 0.592,293 0.558,294 0.558,295 4.183,299 1,300 1,301 884,302 4.359,306 352.084,313 2.164,314 37.593,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 70,326 426,327 4.428,328 4.057,329 7.315,330 4.361,331 3.408,332 3.716,333 2.341,334 12.546,335 3.242,336 4.148,337 3.802,338 6.5,339 3.954,340 2.984,341 3.588,342 2.035,343 10.191,344 2.889,345 4.06,346 3.597,347 5.496,348 3.592,349 2.606,350 3.357,351 1.465,352 7.314,353 2.567,354 3.613,355 3.333,356 5.252,357 3.258,358 2.268,359 2.824,360 0.86,361 6.436,362 2.238,363 3.564,364 2.766,365 5.159,366 3.22,367 2.225,368 2.728,369 0.811,370 6.258,371 2.194,372 3.502,373 2.478,374 4.716,375 3.083,376 2.12,377 2.66,379 5.184,380 2.028,381 3.117,382 2.326,383 4.658,384 2.697,385 1.721,386 2.201,388 4.878,389 1.672,390 2.952,391 2.142,392 4.128,393 2.517,394 1.559,395 1.931,397 3.653,398 1.492,399 2.848,400 1.931,401 3.637,402 2.439,403 1.458,404 1.604,406 3.137,407 1.419,408 2.599,409 1.86,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.404,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.5,427 1.217,428 3.284,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.169,436 1,437 3.247,438 1.773,439 0.78,440 1.075,442 1.673,443 0.769,444 1.919,445 1,446 3.024,447 1.526,448 0.587,449 0.831,451 0.989,452 0.548,453 1.328,454 0.744,455 2.755,456 1.038,457 0.074,458 0.085,460 0.171,461 0.07,462 14.967,463 0.468,464 0.786,465 0.025,466 37.75,467 1.18,468 18,469 0.563,470 19.75,471 0.617,472 31.561,473 0.986,474 35.433,475 0.591,476 29.95,477 0.936,478 7.362,479 0.23,480 8.024,481 0.251,482 0.138,483 0.033,484 0.234,487 0.822,488 1.252,489 0.811,490 1.185,491 0.691,492 1.029,493 0.945,494 1.111,495 0.911,496 1.106,497 0.516,498 1.02,499 1.254,500 1.123,501 1.118,502 1.132,503 0.86,504 1.111,505 1.461,506 0.764,507 1.07,508 0.774,509 0.883,510 0.84,511 0.896,512 1.24,513 1.081,514 1.269,515 0.62,516 1.223,517 0.839,518 0.883,519 0.904,520 0.93,521 0.472,522 0.932,523 0.994,524 0.999,525 1.051,526 1.026,527 0.676,528 1.053,529 0.802,530 0.964,531 0.923,532 0.959,533 0.698,534 0.959,535 7,536 0.219,537 3.556,538 1.875,539 1.707,540 1.236,541 0.708,542 0.592,543 0.381,544 0.201,545 13700,546 41584,547 2.004,548 46.7,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.748,559 1.873,560 3.651,561 -0.372,563 1,567 90.101,568 1.502,569 3.724,570 4.898,571 5.315,572 5.348,573 5.348,574 3.233,575 4.093,576 4.959,577 3.844,578 1906.78,579 8.702,580 28490.4,582 1,585 354.413,586 1.501,587 4.922,588 0.206,589 0.007,590 0.077,591 0.04,592 0.038,593 0.027,594 0.016,595 0.014,596 0.01,597 0.006,598 0.44,599 0.33,600 1,601 1.606,602 169.388,603 -0.038,604 -0.095,605 0.039,606 -0.057,607 -0.041,608 -0.004,609 0.097,610 -0.051,611 0.024,612 -0.054,613 0.134,614 -0.03,615 -0.037,616 -0.134,617 -0.129,618 -0.124,619 -0.063,620 -0.143,621 -0.198,622 0.17,623 -0.033,624 0.183,625 -0.085,626 0.118,627 -0.066,628 -0.223,629 -0.15,630 -0.237,631 -0.019,632 -0.214,633 0.016,634 0.055,635 0.082,636 0.047,637 0.058,638 0.073,639 -0.076,640 -0.047,641 -0.076,642 -0.029,643 -0.057,644 -0.052,645 -0.033,646 0.001,647 0.049,648 0.017,649 -0.019,650 0.046,651 2.473,652 3.687,653 0.563,654 40.492,655 1.005,656 1.124,657 2.202,658 4.848,659 0.653,660 3.555,661 3.85,662 4.043,663 4.248,664 4.489,665 4.554,666 4.682,667 4.754,668 4.771,669 4.804,670 7.635,671 0.624,672 436.55,673 3.555,674 5.081,675 5.9,676 6.763,677 7.607,678 8.48,679 9.339,680 10.219,681 11.086,682 11.971,683 3.3,692 1,693 1,699 8,700 1,704 3,706 12,707 1,722 1,724 60,726 15,727 1,728 34,730 62,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,752 1,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,772 28,773 7,774 1,775 7,779 2,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 32,845 1,846 4,848 3,850 3,852 1,853 1,858 1,860 1,862 8.3,864 1,865 1,866 2,867 1,869 17.083,870 11.1,871 7.181,872 3.546,874 2.008,875 1.273,876 0.903,877 8.273,878 9.358,879 3.807,880 4.263,881 4.673,882 5.1,883 5.567,884 5.623,885 5.862,886 6.039,887 6.107,888 6.301,889 1,890 47,891 11.848,893 4.968,894 7.904,895 22.35,897 18.006,899 2.404,900 76.917,903 1,904 317.82,905 153.237,906 47.845,908 100.828,911 153.237,912 418.648,913 47.845,914 17.65,915 12.196,916 76.17,917 147.667,918 71.769,919 11.771,920 282.506,922 317.82,923 201.082,924 100.828,927 235.422,928 161.226,929 22,930 0.36,931 79.001,932 85.984,933 35.738,935 317.82,936 148.673,937 153.237,940 318.179,941 24.72,942 111.555,943 16.602,944 148.673,945 317.82,946 148.673,947 153.237,949 0.571,950 0.315,951 0.16,952 0.09,953 19,954 9,955 0.145,956 9,958 1,959 4.283,960 276.82,962 18,963 154,968 23.786,969 11.13,970 6.813,972 148.673,973 14.302,974 4.233,978 2.151,980 42.683,981 619.73,982 44,987 10.687,989 3.876,991 -0.806,994 60.327,995 67.441,996 0.254,997 0.63,998 0.829,999 0.9,1000 0.905,1001 0.905,1002 5.05,1003 1.559,1004 5.894,1005 4.878,1006 4.533,1007 4.949,1008 3.216,1009 6.701,1010 4.468,1011 6.231,1012 1.458,1013 7.456,1014 3.653,1015 4.205,1016 4.559,1017 2.243,1018 7.861,1019 4.107,1020 7.517,1021 1,1022 9.139,1023 3.137,1024 6.159,1025 6.941,1026 4.42,1027 10.884,1028 6.023,1029 8.832,1030 1,1031 10.899,1032 2.477,1033 6.673,1034 7.303,1035 4.112,1036 12.921,1037 6.488,1038 10.177,1039 1,1040 12.714,1041 2.275,1042 8.131,1043 9.195,1044 5.842,1045 15.562,1046 7.908,1047 11.544,1048 0.78,1049 14.569,1050 2.136,1051 9.028,1052 9.915,1053 5.889,1054 17.908,1055 8.746,1056 12.928,1057 0.587,1058 16.452,1059 1.673,1060 10.307,1061 11.581,1062 7.361,1063 20.451,1064 9.984,1065 3.408,1066 0.074,1067 18.357,1068 0.989,1069 11.378,1070 12.502,1071 7.625,1072 22.906,1073 10.995,1074 2.984,1075 12.546,1076 20.278,1077 0.171,1078 12.598,1079 14.039,1080 8.931,1081 25.426,1082 12.169,1083 2.606,1084 10.191,1085 22.212,1086 3.716,1087 13.745,1088 15.085,1089 9.342,1090 27.919,1091 13.258,1092 2.268,1093 7.314,1094 24.156,1095 3.588,1096 14.951,1097 16.541,1098 10.535,1099 30.437,1100 14.413,1101 2.225,1102 6.436,1103 26.108,1104 3.357,1105 16.133,1106 17.669,1107 11.051,1108 32.947,1109 15.539,1110 2.12,1111 6.258,1112 28.067,1113 2.824,1114 17.338,1115 19.072,1116 12.161,1117 35.466,1118 16.692,1119 1.721,1120 5.184,1121 30.03,1122 2.728,1123 18.536,1124 20.254,1125 12.755,1126 37.984,1127 17.837,1128 13600,1129 23786,1130 22.246,1131 39.182,1132 51.668,1133 53.512,1134 50.955,1135 49.624,1136 49.582,1137 61.473,1138 15.023,1139 138.636,1140 47.976,1141 5.428,1142 6.057,1143 7.117,1144 5.435,1145 5.408,1146 6.716,1147 4.376,1148 19.977,1149 5.242,1150 17.261,1151 1.52,1152 1.574,1153 1.499,1154 1.46,1155 1.458,1156 1.808,1157 0.442,1158 4.078,1159 1.411,1160 3.99,1161 4.015,1162 3.923,1163 3.878,1164 7.474,1165 3.883,1166 3.902,1167 3.927,1168 3.846,1169 3.822,1170 6.82,1171 3.823,1172 3.76,1173 3.804,1174 3.665,1175 3.645,1176 6.351,1177 3.641,1178 3.7,1179 3.735,1180 3.6,1181 3.539,1182 4.948,1183 3.547,1184 3.557,1185 3.603,1186 3.441,1187 3.401,1188 4.849,1189 3.399,1190 3.327,1191 3.355,1192 3.228,1193 3.113,1194 4.702,1195 3.132,1196 3.17,1197 3.216,1198 3.127,1199 3.011,1200 4.382,1201 3.036,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.287,1207 2.791,1208 0.13,1209 0.119,1210 0.215,1211 0.128,1212 0.1,1213 4.428,1214 0.109,1215 4.057,1216 0.069,1217 7.315,1218 0.369,1219 4.361,1220 0.095,1221 3.408,1222 3.716,1223 2.341,1224 12.546,1225 3.242,1226 1.913,1227 1.889,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.889,1233 1.863,1234 1.995,1235 1.986,1236 1.149,1237 1.989,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.112,1243 1.906,1244 1.663,1245 1.625,1246 1.872,1247 1.847,1248 1.025,1249 1.853,1250 1.535,1251 1.486,1252 1.772,1253 1.727,1254 0.935,1255 1.742,1256 1.253,1257 1.217,1258 1.494,1259 1.506,1260 0.647,1261 1.495,1262 1.09,1263 1.053,1264 1.417,1265 1.277,1266 0.469,1267 1.308,1268 0.94,1269 0.888,1270 1.215,1271 1.239,1272 0.397,1273 1.243,1274 4.234,1276 5.533,1278 7.026,1280 8.607,1282 10.239,1284 3.81,1289 8.783,1290 1.773,1292 18.617,1294 -0.798,1296 -0.781,1298 8.976,1299 2.094,1300 37.465,1301 90.101,1302 223.443,1303 293.884,1304 318.904,1305 320.904,1306 320.904,1307 80.553,1308 7.35,1309 101.67,1310 101.67,1311 18,1312 12.508,1313 4,1314 3.459,1315 61.026,1316 140,1317 166,1318 0.206,1319 232.695,1320 421.73,1321 559.535,1322 14663,1324 22.976,1325 0.718,1326 0.572,1327 22.976,1328 18.309,1329 15.386,1330 0.453,1331 0.312,1332 10.468,1333 14.766,1334 10.172,1335 8.444,1336 15.386,1337 10.618,1338 13.852,1339 0.301,1340 0.179,1341 13.852,1342 8.25,1343 10.623,1344 0.19,1345 0.093,1346 10.623,1347 5.235,1348 8.366,1349 0.121,1350 0.052,1351 8.366,1352 3.578,1353 6.78,1354 0.077,1355 0.028,1356 6.78,1357 2.45,1358 0.325,1359 96.812,1360 0.212,1361 30.2,1362 0.56,1363 160,1364 512.382,1365 179.353,1366 483.139,1367 637.85,1368 450,1369 182,1370 445.461,1371 200.997,1372 447.443,1373 646.7,1374 418,1375 7.337} {0 CHEMBL161435,1 1.682,2 12.033,3 3.97,4 15.758,5 104.606,6 8.105,7 0.375,8 4.055,9 4.148,10 3.662,11 3.558,12 5.242,13 3.569,14 4.63,15 4.763,16 4.086,17 3.929,18 6.248,19 3.924,20 4.864,21 5.049,22 4.068,23 4.071,24 6.013,25 4.029,26 5,27 5.215,28 4.033,29 4.04,30 6.183,31 4.004,32 4.876,33 5.083,34 3.941,35 4.035,36 5.964,37 3.974,38 4.886,39 5.116,40 3.907,41 4.058,42 5.827,43 3.967,44 4.907,45 5.119,46 3.987,47 4.021,48 6.187,49 3.942,50 4.799,51 5.027,52 3.855,53 3.937,54 5.859,55 3.863,56 0.199,57 0.892,58 9.13,59 5.387,60 36.558,61 5.822,62 1.137,63 1.75,64 20.299,65 8.805,66 175.412,67 9.842,68 0.691,69 1.617,70 27.047,71 11.338,72 85.038,73 13.763,74 1.264,75 1.739,76 35.984,77 11.992,78 136.762,79 14.098,80 0.917,81 1.575,82 29.759,83 11.178,84 114.479,85 13.538,86 0.776,87 1.482,88 30.103,89 11.292,90 101.194,91 15.111,92 1.533,93 1.491,94 32.119,95 11.227,96 153.875,97 14.409,98 0.709,99 1.485,100 27.686,101 10.355,102 100.819,103 13.422,104 35,105 44,106 0.282,107 0.612,108 0.779,109 0.859,110 0.89,111 0.89,112 3.44,113 0.896,114 -4.73,115 -4.64,116 -4.36,118 42.3,120 3,121 1,124 1,126 1,127 1,131 1,133 2,140 6,141 3,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 8,175 1,177 1,180 12,181 1,186 9,191 1,194 8,195 1,197 1,198 10,203 1,206 7,207 1,210 7,215 1,218 10,219 1,221 1,222 6,227 1,229 13,230 1,234 6,239 1,242 14,247 3,248 2,255 11,256 1,258 2,259 3,262 2,264 1,267 8,268 1,270 1772,271 19.8,272 19.8,273 19.8,274 19.8,275 19.8,276 17.946,277 21.063,278 11.906,279 20.208,280 15.827,281 15.827,282 15.827,283 15.827,284 15.827,285 13.135,286 22.577,287 5.689,288 16.577,289 4.019,290 2.059,291 1.065,292 0.584,293 0.399,294 0.399,295 4.121,299 1,300 1,301 748,302 4.123,306 318.104,313 2.173,314 53.555,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 69,326 361,327 4.446,328 4.46,329 7.111,330 4.178,331 3.316,332 3.856,333 3.825,334 11.659,335 3.001,336 4.206,337 3.597,338 6.543,339 4.044,340 3.078,341 3.584,342 2.341,343 10.359,344 2.877,345 3.964,346 3.585,347 6.088,348 3.7,349 2.713,350 3.281,351 1.902,352 8.858,353 2.644,354 3.566,355 3.111,356 5.243,357 3.254,358 2.259,359 2.735,360 0.869,361 6.386,362 2.236,363 3.511,364 2.413,365 4.725,366 3.211,367 2.218,368 2.687,369 0.22,370 5.19,371 2.187,372 3.155,373 2.231,374 4.659,375 2.809,376 1.863,377 2.246,379 5.171,380 1.734,381 3.053,382 2.003,383 4.331,384 2.615,385 1.644,386 2.166,388 3.99,389 1.585,390 2.836,391 1.865,392 4.093,393 2.447,394 1.483,395 1.904,397 3.549,398 1.423,399 2.536,400 1.677,401 3.633,402 2.242,403 1.284,404 1.535,406 3.13,407 1.208,408 2.5,409 1.385,410 3.479,411 2,412 1,413 1.5,415 2.476,416 1,417 2.5,418 1.21,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.922,436 1,437 3.066,438 1.77,439 0.776,440 0.835,442 1.668,443 0.766,444 1.323,445 0.742,446 2.836,447 1.057,448 0.093,449 0.107,451 0.216,452 0.088,453 0.899,454 0.51,455 2.562,456 0.624,457 -0.354,458 -0.392,460 -0.827,461 -0.342,462 13.59,463 0.453,464 0.83,465 0.028,466 33.25,467 1.108,468 14.5,469 0.483,470 18.75,471 0.625,472 27.197,473 0.907,474 34.41,475 0.662,476 28.67,477 0.956,478 6.93,479 0.231,480 7.412,481 0.247,482 0.112,483 0.037,484 0.258,485 3,487 0.657,488 0.985,489 0.684,490 1.14,491 0.639,492 0.989,493 0.589,494 0.777,495 0.839,496 1.072,497 0.392,498 1.071,499 0.713,500 0.927,501 0.87,502 1.189,503 0.578,504 1.133,505 1.11,506 0.845,507 1.05,508 0.894,509 0.825,510 0.936,511 0.88,512 0.831,513 1.019,514 1.009,515 0.701,516 1.057,517 0.512,518 0.657,519 0.828,520 0.966,521 0.38,522 1.017,523 0.549,524 0.692,525 0.911,526 0.914,527 0.581,528 1.031,529 0.642,530 0.872,531 0.84,532 1.043,533 0.613,534 1.037,535 6.5,536 0.239,537 3.556,538 1.625,539 1.067,540 1.139,541 0.647,542 0.306,543 0.345,544 0.376,545 11534,546 44218,547 2.004,548 42.3,549 4,550 11,551 1,552 2,553 1,554 2,556 1,558 1.731,559 1.865,560 3.525,561 -0.316,563 1,567 87.453,568 1.682,569 3.642,570 4.635,571 5.117,572 5.301,573 5.301,574 3.095,575 4.19,576 4.867,577 3.772,578 1640.74,579 8.511,580 23498.9,582 1,584 1,585 296.423,586 1.549,587 4.824,588 0.203,589 0.009,590 0.081,591 0.037,592 0.026,593 0.029,594 0.017,595 0.008,596 0.01,597 0.012,598 0.432,599 0.17,600 1,601 1.673,602 155.646,603 -0.045,604 -0.042,605 0.019,606 -0.025,607 -0.083,608 0.012,609 0.308,610 0.235,611 0.01,612 -0.027,613 0.382,614 -0.109,615 -0.03,616 -0.163,617 -0.003,618 -0.182,619 0.013,620 -0.112,621 -0.155,622 -0.01,623 -0.054,624 0.057,625 -0.059,626 0.047,627 -0.107,628 -0.003,629 -0.099,630 -0.019,631 -0.056,632 -0.043,633 0.028,634 -0.014,635 0.06,637 0.028,638 0.03,639 0.257,640 0.11,641 0.038,642 0.059,643 0.101,644 -0.019,645 -0.003,646 -0.133,647 0.074,648 -0.07,649 -0.027,650 0.002,651 5.65,652 4.805,653 0.6,654 36.809,655 1.03,656 1.141,657 3.496,658 12.22,659 0.649,660 3.497,661 3.807,662 3.989,663 4.19,664 4.431,665 4.543,666 4.71,667 4.745,668 4.883,669 5.024,670 7.344,671 0.641,672 421.45,673 3.497,674 5.03,675 5.849,676 6.715,677 7.56,678 8.433,679 9.29,680 10.169,681 11.034,682 11.915,683 1.9,693 1,699 8,700 1,704 3,706 12,724 52,726 14,727 1,728 32,730 54,731 22,733 11,734 2,735 4,739 3,740 3,745 1,748 1,749 1,750 1,751 4,753 14,754 8,755 1,756 2,761 1,763 2,765 1,769 1,770 3,772 22,773 8,774 1,775 8,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,838 3,840 30,845 1,846 4,848 2,850 3,852 1,861 3,862 7.7,864 1,865 1,866 2,869 16.083,870 8.912,871 6.583,872 3.02,874 1.966,875 1.268,876 0.929,877 7.385,878 9.289,879 3.714,880 4.205,881 4.615,882 5.059,883 5.545,884 5.643,885 5.949,886 6.071,887 6.398,888 6.756,889 1,890 44,891 11.56,893 5.356,894 8.331,895 20.421,897 16.638,899 2.831,900 84.917,902 1,903 1,904 247.193,905 124.686,906 16.786,908 89.828,909 44.88,911 124.686,912 337.021,913 61.666,915 12.196,916 76.17,917 131.066,918 72.532,919 11.771,920 211.88,921 7.76,922 247.193,923 141.472,924 134.708,927 235.422,928 124.48,929 22,930 0.36,931 38.05,932 67.324,933 35.738,935 292.073,936 106.614,937 124.686,940 255.312,941 22.663,942 93.905,944 151.494,945 247.193,946 151.494,947 124.686,949 0.579,950 0.31,951 0.154,952 0.085,953 19,954 9,955 0.13,956 7,958 1,959 4.121,960 253.723,962 18,963 138.452,968 22.172,969 9.992,970 6.237,972 151.494,973 11.767,974 4.131,978 0.629,980 42.683,981 523.374,982 40,987 10.605,989 3.721,991 -0.85,994 53.552,995 59.337,996 0.295,997 0.639,998 0.813,999 0.898,1000 0.93,1001 0.93,1002 4.956,1003 1.483,1004 5.855,1005 3.99,1006 4.489,1007 4.89,1008 3.62,1009 6.666,1010 4.398,1011 6.137,1012 1.284,1013 7.422,1014 3.549,1015 4.205,1016 4.559,1017 4.111,1018 7.811,1019 3.96,1020 7.425,1021 1,1022 9.109,1023 3.13,1024 6.125,1025 6.897,1026 5.643,1027 10.805,1028 5.917,1029 8.745,1030 1,1031 10.87,1032 2.476,1033 6.661,1034 7.318,1035 6.781,1036 12.774,1037 6.277,1038 10.098,1039 1,1040 12.68,1041 2.275,1042 8.101,1043 9.191,1044 8.131,1045 15.362,1046 7.726,1047 11.474,1048 0.776,1049 14.523,1050 2.136,1051 8.995,1052 9.978,1053 9.424,1054 17.618,1055 8.457,1056 12.868,1057 0.093,1058 16.39,1059 1.668,1060 10.259,1061 11.631,1062 10.759,1063 20.088,1064 9.689,1065 3.316,1066 -0.354,1067 18.274,1068 0.216,1069 11.311,1070 12.622,1071 12.087,1072 22.45,1073 10.599,1074 3.078,1075 11.659,1076 20.17,1077 -0.827,1078 12.51,1079 14.153,1080 13.425,1081 24.888,1082 11.737,1083 2.713,1084 10.359,1085 22.076,1086 3.856,1087 13.631,1088 15.268,1089 14.763,1090 27.291,1091 12.732,1092 2.259,1093 8.858,1094 23.989,1095 3.584,1096 14.81,1097 16.723,1098 16.103,1099 29.723,1100 13.832,1101 2.218,1102 6.386,1103 25.909,1104 3.281,1105 15.961,1106 17.916,1107 17.443,1108 32.145,1109 14.869,1110 1.863,1111 5.19,1112 27.833,1113 2.735,1114 17.137,1115 19.326,1116 18.784,1117 34.579,1118 15.953,1119 1.644,1120 5.171,1121 29.761,1122 2.687,1123 18.303,1124 20.569,1125 20.125,1126 37.011,1127 17.011,1128 11485,1129 22680,1130 20.86,1131 33.773,1132 48.372,1133 47.287,1134 47.936,1135 47.711,1136 47.453,1137 58.145,1138 18.314,1139 134.127,1140 45.212,1141 5.446,1142 6.46,1143 6.913,1144 5.25,1145 5.316,1146 6.856,1147 5.409,1148 18.563,1149 5.001,1150 16.938,1151 1.512,1152 1.478,1153 1.498,1154 1.491,1155 1.483,1156 1.817,1157 0.572,1158 4.191,1159 1.413,1160 4.005,1161 4.029,1162 3.949,1163 3.904,1164 8.513,1165 3.909,1166 3.889,1167 3.922,1168 3.835,1169 3.806,1170 7.999,1171 3.806,1172 3.755,1173 3.799,1174 3.651,1175 3.643,1176 7.999,1177 3.636,1178 3.627,1179 3.66,1180 3.541,1181 3.445,1182 7.474,1183 3.455,1184 3.416,1185 3.442,1186 3.377,1187 3.182,1188 6.351,1189 3.215,1190 3.283,1191 3.319,1192 3.223,1193 3.048,1194 4.94,1195 3.077,1196 2.987,1197 3.028,1198 2.87,1199 2.795,1200 4.803,1201 2.791,1202 2.962,1203 3.012,1204 2.826,1205 2.735,1206 4.559,1207 2.715,1208 0.139,1209 0.139,1210 0.222,1211 0.131,1212 0.104,1213 4.446,1214 0.12,1215 4.46,1216 0.12,1217 7.111,1218 0.364,1219 4.178,1220 0.094,1221 3.316,1222 3.856,1223 3.825,1224 11.659,1225 3.001,1226 1.94,1227 1.918,1228 2.057,1229 2.067,1230 1.36,1231 2.062,1232 1.875,1233 1.844,1234 1.994,1235 1.977,1236 1.151,1237 1.981,1238 1.748,1239 1.704,1240 1.925,1241 1.892,1242 1.121,1243 1.906,1244 1.573,1245 1.532,1246 1.784,1247 1.778,1248 0.935,1249 1.775,1250 1.3,1251 1.273,1252 1.51,1253 1.561,1254 0.667,1255 1.531,1256 1.144,1257 1.111,1258 1.284,1259 1.423,1260 0.499,1261 1.36,1262 0.94,1263 0.888,1264 1.215,1265 1.209,1266 0.397,1267 1.18,1268 0.886,1269 0.821,1270 1.181,1271 1.164,1272 0.274,1273 1.174,1274 4.174,1276 5.485,1278 6.984,1280 8.569,1282 10.202,1286 38.416,1289 8.708,1290 1.457,1292 11.918,1294 -1.186,1296 -4.4,1300 33.352,1301 87.453,1302 189.375,1303 241.039,1304 266.058,1305 275.668,1306 275.668,1307 83.863,1308 7.323,1309 68.65,1310 68.65,1311 18,1312 12.454,1313 3.907,1314 3.17,1315 55.195,1316 125,1317 150,1318 0.207,1319 202.576,1320 373.53,1321 486.047,1322 13802,1323 5.8,1324 21.562,1325 0.719,1326 0.536,1327 19.062,1328 16.087,1329 14.342,1330 0.448,1331 0.299,1332 9.363,1333 13.591,1334 9.261,1335 7.587,1336 13.131,1337 9.553,1338 13.405,1339 0.305,1340 0.16,1341 11.447,1342 7.028,1343 9.864,1344 0.186,1345 0.091,1346 8.928,1347 4.814,1348 7.821,1349 0.12,1350 0.05,1351 7.122,1352 3.268,1353 6.294,1354 0.076,1355 0.027,1356 6.008,1357 2.269,1358 0.327,1359 91.684,1360 0.219,1361 28.616,1362 0.563,1363 152,1364 679.335,1365 182.804,1366 559.637,1367 712.01,1368 518,1369 173,1370 472.779,1371 196.603,1372 455.437,1373 685.08,1374 426,1375 7.357} {0 CHEMBL161518,1 1.565,2 12.242,3 3.553,4 12.623,5 120.952,6 7.484,7 0.343,8 4.203,9 4.3,10 3.753,11 3.677,12 5.371,13 3.673,14 4.755,15 4.897,16 4.115,17 4.05,18 6.012,19 4.034,20 5.054,21 5.227,22 4.206,23 4.207,24 6.142,25 4.168,26 5.196,27 5.408,28 4.197,29 4.239,30 6.29,31 4.191,32 5.103,33 5.285,34 4.202,35 4.314,36 6.142,37 4.246,38 5.294,39 5.532,40 4.233,41 4.366,42 6.282,43 4.277,44 5.276,45 5.49,46 4.136,47 4.299,48 6.421,49 4.204,50 5.126,51 5.385,52 3.986,53 4.198,54 6.039,55 4.089,56 0.198,57 0.817,58 12.513,59 5.967,60 19.015,61 7.314,62 0.623,63 1.272,64 24.446,65 9.679,66 91.831,67 12.248,68 0.893,69 1.589,70 35.207,71 12.432,72 83.809,73 16.034,74 1.329,75 1.698,76 44.139,77 13.49,78 129.781,79 17.793,80 0.618,81 1.757,82 35.971,83 13.741,84 83.953,85 18.069,86 0.999,87 1.996,88 47.317,89 15.511,90 105.845,91 21.819,92 1.521,93 1.848,94 47.591,95 14.99,96 182.873,97 20.195,98 0.784,99 1.695,100 40.701,101 13.215,102 94.505,103 19.061,104 46,105 48,106 0.253,107 0.606,108 0.798,109 0.875,110 0.885,111 0.885,112 3.532,113 0.92,114 -3.91,115 -3.87,116 -3.67,118 39.3,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,162 2,163 1,167 1,168 10,169 1,171 2,172 10,175 1,177 1,180 9,181 1,185 3,186 15,191 1,194 6,195 1,197 3,198 12,203 1,206 7,207 1,210 13,215 1,218 12,219 1,221 3,222 15,227 1,229 9,230 1,233 5,234 10,239 1,242 9,247 4,248 2,255 10,256 1,258 2,259 10,262 2,264 1,267 11,268 1,270 2124,271 21.766,272 21.766,273 21.766,274 21.766,275 21.766,276 19.518,277 23.931,278 13.143,279 22.093,280 17.299,281 17.299,282 17.299,283 17.299,284 17.299,285 14.111,286 28.909,287 6.255,288 17.855,289 4.366,290 2.18,291 0.992,292 0.517,293 0.451,294 0.451,295 4.211,299 1,300 1,301 835,302 4.583,306 357.195,313 2.219,314 48.51,317 1,318 0.5,319 0.83,320 1,321 1,322 1,323 1,324 0.9,325 74,326 404,327 4.485,328 3.853,329 7.319,330 4.368,331 3.416,332 4.102,333 2.612,334 12.573,335 3.247,336 4.299,337 3.755,338 6.504,339 3.968,340 3.002,341 3.591,342 2.341,343 10.206,344 2.897,345 4.122,346 3.597,347 6.388,348 3.858,349 2.889,350 3.367,351 1.465,352 9.654,353 2.794,354 3.568,355 3.329,356 5.252,357 3.257,358 2.266,359 2.933,360 0.86,361 6.415,362 2.237,363 3.541,364 2.768,365 5.047,366 3.218,367 2.223,368 2.731,369 0.811,370 5.534,371 2.193,372 3.494,373 2.452,374 4.667,375 2.913,376 1.952,377 2.671,379 5.183,380 1.871,381 3.118,382 2.25,383 4.657,384 2.707,385 1.73,386 2.203,388 4.693,389 1.682,390 2.906,391 1.949,392 4.129,393 2.545,394 1.58,395 2.058,397 3.655,398 1.522,399 2.84,400 1.862,401 3.733,402 2.444,403 1.472,404 1.92,406 3.149,407 1.422,408 2.615,409 1.553,410 3.635,411 2.369,412 1.387,413 1.602,415 3.11,416 1.355,417 2.58,418 1.399,419 3.48,420 2,421 1,422 1.576,424 2.476,425 1,426 2.5,427 1.324,428 3.466,429 1.958,430 1,431 1.5,433 2.304,434 0.955,435 2.169,436 1.216,437 3.247,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.918,445 1,446 3.234,447 1.772,448 0.779,449 0.832,451 1.67,452 0.768,453 1.309,454 1,455 3.005,456 1.043,457 0.083,458 0.096,460 0.2,461 0.078,462 15.133,463 0.459,464 0.896,465 0.027,466 38.75,467 1.174,468 18,469 0.545,470 20.75,471 0.629,472 32.72,473 0.992,474 37.667,475 0.617,476 33.062,477 1.002,478 7.689,479 0.233,480 8.087,481 0.245,482 0.154,483 0.033,484 0.258,487 0.665,488 1.266,489 0.767,490 1.203,491 0.635,492 1.048,493 0.803,494 1.183,495 0.863,496 1.153,497 0.456,498 1.045,499 1.051,500 1.161,501 1.038,502 1.166,503 0.725,504 1.114,505 1.263,506 0.774,507 1.015,508 0.778,509 0.78,510 0.827,511 0.907,512 1.271,513 1.059,514 1.262,515 0.724,516 1.213,517 0.811,518 0.951,519 0.932,520 0.998,521 0.604,522 0.989,523 1.092,524 0.958,525 1.149,526 0.976,527 1.108,528 1.069,529 0.748,530 0.881,531 0.872,532 0.883,533 0.603,534 0.895,535 7,536 0.231,537 4,538 2.375,539 1.827,540 1.618,541 0.709,542 0.514,543 0.46,544 0.331,545 14289,546 47049,547 1.987,548 45.9,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.757,559 1.842,560 3.542,561 -0.322,563 1,567 95.478,568 1.565,569 3.751,570 4.938,571 5.414,572 5.48,573 5.48,574 3.106,575 4.537,576 5.007,577 3.79,578 2001.22,579 8.802,580 30262,585 361.775,586 1.573,587 4.957,588 0.2,589 0.006,590 0.083,591 0.047,592 0.037,593 0.032,594 0.014,595 0.012,596 0.011,597 0.008,598 0.451,599 0.33,600 1,601 1.609,602 175.354,603 0.063,604 -0.032,605 0.048,606 -0.034,607 -0.039,608 -0.01,609 0.12,610 -0.081,611 0.041,612 -0.069,613 0.206,614 -0.037,615 -0.02,616 -0.141,617 -0.079,618 -0.14,619 -0.036,620 -0.129,621 -0.105,622 0.163,623 0.012,624 0.181,625 0.001,626 0.135,627 -0.097,628 -0.221,629 -0.147,630 -0.204,631 -0.051,632 -0.193,633 -0.001,634 0.036,635 0.037,636 -0.022,637 0.017,638 0.014,639 -0.017,640 -0.024,641 -0.14,642 -0.006,643 -0.085,644 -0.093,645 -0.032,646 0.088,647 0.095,648 0.089,649 -0.018,650 0.124,651 2.499,652 4.365,653 0.545,654 39.851,655 1.016,656 1.129,657 2.68,658 7.185,659 0.641,660 3.584,661 3.892,662 4.094,663 4.317,664 4.543,665 4.615,666 4.691,667 4.754,668 4.844,669 4.934,670 7.488,671 0.621,672 456.54,673 3.584,674 5.118,675 5.943,676 6.815,677 7.667,678 8.548,679 9.414,680 10.302,681 11.175,682 12.067,683 3.3,693 1,694 1,699 8,700 1,704 3,706 12,718 1,722 1,724 61,726 16,727 1,728 35,730 63,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 4,759 1,761 3,763 2,765 1,769 1,772 28,773 8,774 1,775 9,779 2,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 33,845 1,846 4,848 3,850 3,852 1,862 11.5,864 1,865 1,866 2,867 1,868 2,869 17.917,870 11.183,871 7.319,872 3.557,874 2.123,875 1.286,876 0.896,877 8.56,878 9.547,879 3.829,880 4.331,881 4.714,882 5.17,883 5.607,884 5.638,885 5.854,886 5.99,887 6.167,888 6.473,889 1,890 50,891 12.274,893 5.246,894 8.058,895 22.772,897 18.344,899 2.558,900 84.417,903 1,904 317.82,905 136.206,906 22.456,908 151.575,911 136.206,912 469.395,913 22.456,914 23.32,915 12.196,916 76.17,917 131.066,918 40.28,919 11.771,920 282.506,921 50.747,922 317.82,923 158.662,924 151.575,927 235.422,928 161.226,929 72.747,930 0.36,931 47.941,932 68.953,933 41.408,935 317.82,936 174.03,937 136.206,940 318.179,941 24.292,942 117.225,944 168.36,945 317.82,946 174.03,947 136.206,949 0.576,950 0.317,951 0.166,952 0.092,953 20,954 10,955 0.159,956 10,958 1,959 4.274,960 293.722,962 18,963 162.465,968 24.842,969 11.371,970 6.844,972 168.36,973 13.373,974 4.199,978 0.895,980 42.683,981 628.057,982 45,985 -0.487,987 33.421,989 3.793,991 -0.832,994 61.982,995 68.86,996 0.264,997 0.632,998 0.833,999 0.913,1000 0.924,1001 0.924,1002 5.069,1003 1.58,1004 5.948,1005 4.693,1006 4.575,1007 5.017,1008 3.327,1009 6.777,1010 4.507,1011 6.257,1012 1.472,1013 7.526,1014 3.655,1015 4.29,1016 4.783,1017 2.946,1018 7.962,1019 4.183,1020 7.555,1021 1.387,1022 9.225,1023 3.149,1024 6.217,1025 7.06,1026 4.714,1027 11.006,1028 6.069,1029 8.886,1030 1,1031 11.002,1032 3.11,1033 6.77,1034 7.608,1035 5.015,1036 13.041,1037 6.57,1038 10.25,1039 1,1040 12.83,1041 2.476,1042 8.215,1043 9.412,1044 6.371,1045 15.685,1046 7.977,1047 11.637,1048 1,1049 14.693,1050 2.304,1051 9.136,1052 10.336,1053 6.969,1054 18.016,1055 8.839,1056 13.042,1057 0.779,1058 16.581,1059 2.136,1060 10.41,1061 11.938,1062 8.135,1063 20.552,1064 10.07,1065 3.416,1066 0.083,1067 18.488,1068 1.67,1069 11.49,1070 13.063,1071 8.883,1072 22.992,1073 11.092,1074 3.002,1075 12.573,1076 20.408,1077 0.2,1078 12.706,1079 14.566,1080 9.951,1081 25.504,1082 12.262,1083 2.889,1084 10.206,1085 22.338,1086 4.102,1087 13.854,1088 15.805,1089 10.78,1090 27.987,1091 13.354,1092 2.266,1093 9.654,1094 24.277,1095 3.591,1096 15.056,1097 17.258,1098 11.796,1099 30.498,1100 14.505,1101 2.223,1102 6.415,1103 26.223,1104 3.367,1105 16.235,1106 18.563,1107 12.672,1108 33.003,1109 15.63,1110 1.952,1111 5.534,1112 28.174,1113 2.933,1114 17.436,1115 19.99,1116 13.659,1117 35.518,1118 16.779,1119 1.73,1120 5.183,1121 30.13,1122 2.731,1123 18.631,1124 21.336,1125 14.565,1126 38.034,1127 17.92,1128 14233,1129 25970,1130 22.652,1131 39.091,1132 52.359,1133 53.886,1134 53.242,1135 51.607,1136 51.559,1137 64.633,1138 16.179,1139 145.918,1140 49.85,1141 5.485,1142 5.853,1143 7.121,1144 5.445,1145 5.416,1146 7.102,1147 4.612,1148 20.077,1149 5.247,1150 19.036,1151 1.496,1152 1.54,1153 1.521,1154 1.474,1155 1.473,1156 1.847,1157 0.462,1158 4.169,1159 1.424,1160 4.017,1161 4.038,1162 3.973,1163 3.878,1164 7.815,1165 3.89,1166 3.937,1167 3.966,1168 3.878,1169 3.82,1170 7.474,1171 3.827,1172 3.761,1173 3.805,1174 3.668,1175 3.645,1176 6.999,1177 3.641,1178 3.704,1179 3.738,1180 3.604,1181 3.536,1182 6.351,1183 3.544,1184 3.559,1185 3.604,1186 3.459,1187 3.399,1188 4.946,1189 3.396,1190 3.47,1191 3.496,1192 3.408,1193 3.111,1194 4.842,1195 3.133,1196 3.324,1197 3.353,1198 3.213,1199 3.035,1200 4.703,1201 3.129,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.389,1207 2.791,1208 0.128,1209 0.11,1210 0.209,1211 0.125,1212 0.098,1213 4.485,1214 0.117,1215 3.853,1216 0.075,1217 7.319,1218 0.359,1219 4.368,1220 0.093,1221 3.416,1222 4.102,1223 2.612,1224 12.573,1225 3.247,1226 1.917,1227 1.894,1228 2.048,1229 2.092,1230 1.362,1231 2.061,1232 1.894,1233 1.866,1234 2,1235 2.042,1236 1.15,1237 2.027,1238 1.749,1239 1.706,1240 1.927,1241 1.895,1242 1.114,1243 1.906,1244 1.661,1245 1.623,1246 1.873,1247 1.859,1248 1.033,1249 1.859,1250 1.534,1251 1.485,1252 1.772,1253 1.732,1254 0.935,1255 1.743,1256 1.252,1257 1.216,1258 1.494,1259 1.646,1260 0.647,1261 1.55,1262 1.195,1263 1.165,1264 1.417,1265 1.505,1266 0.469,1267 1.495,1268 0.94,1269 0.888,1270 1.282,1271 1.239,1272 0.397,1273 1.308,1274 4.263,1276 5.572,1278 7.074,1280 8.668,1282 10.314,1284 3.529,1289 8.781,1290 1.55,1292 18.354,1294 -1.14,1296 -1.019,1300 37.895,1301 95.478,1302 228.804,1303 301.246,1304 330.265,1305 334.265,1306 334.265,1307 97.228,1308 7.424,1309 123.7,1310 123.7,1311 18,1312 12.599,1313 4.087,1314 3.459,1315 63.97,1316 144,1317 174,1318 0.213,1319 234.022,1320 424.65,1321 562.774,1322 16152,1324 23.847,1325 0.723,1326 0.564,1327 23.847,1328 18.625,1329 15.776,1330 0.451,1331 0.307,1332 10.553,1333 14.956,1334 10.292,1335 8.53,1336 15.776,1337 10.739,1338 14.509,1339 0.302,1340 0.174,1341 14.509,1342 8.338,1343 10.877,1344 0.184,1345 0.09,1346 10.877,1347 5.306,1348 8.822,1349 0.119,1350 0.049,1351 8.822,1352 3.655,1353 7.064,1354 0.076,1355 0.027,1356 7.064,1357 2.51,1358 0.334,1359 100.694,1360 0.21,1361 30.738,1362 0.585,1363 166,1364 591.853,1365 190.836,1366 547.267,1367 714.37,1368 506,1369 190,1370 504.417,1371 214.704,1372 496.462,1373 719.69,1374 463,1375 8} {0 CHEMBL161608,1 1.502,2 12.125,3 3.537,4 12.513,5 119.365,6 7.276,7 0.353,8 4.171,9 4.271,10 3.702,11 3.688,12 5.312,13 3.671,14 4.724,15 4.873,16 4.054,17 4.055,18 5.851,19 4.021,20 5.031,21 5.208,22 4.151,23 4.215,24 6.087,25 4.159,26 5.157,27 5.379,28 4.111,29 4.242,30 6.161,31 4.17,32 5.063,33 5.253,34 4.144,35 4.321,36 6.055,37 4.233,38 5.257,39 5.5,40 4.155,41 4.371,42 6.197,43 4.257,44 5.201,45 5.436,46 4.049,47 4.295,48 6.223,49 4.178,50 5.103,51 5.367,52 3.922,53 4.207,54 5.991,55 4.078,56 0.047,57 0.787,58 12.459,59 5.954,60 18.459,61 7.36,62 0.41,63 1.25,64 24.116,65 9.705,66 59.641,67 12.33,68 0.654,69 1.588,70 34.74,71 12.677,72 76.057,73 16.227,74 0.892,75 1.72,76 42.062,77 13.758,78 103.386,79 18.065,80 0.341,81 1.748,82 34.667,83 13.796,84 63.677,85 18.29,86 0.569,87 2.013,88 45,89 16.075,90 89.924,91 22.402,92 0.775,93 1.881,94 43.001,95 14.707,96 116.936,97 20.228,98 0.539,99 1.716,100 39.396,101 13.752,102 78.324,103 19.489,104 35,105 46,106 0.243,107 0.604,108 0.799,109 0.878,110 0.888,111 0.888,112 3.502,113 0.937,114 -3.43,115 -3.41,116 -3.26,118 41.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 2,142 1,143 2,154 2,163 1,167 1,168 11,169 1,171 1,172 11,175 1,177 1,180 11,181 1,185 2,186 12,191 1,194 7,195 1,197 2,198 9,203 1,206 9,207 1,210 12,215 1,218 12,219 1,221 1,222 13,227 1,229 9,230 1,233 3,234 10,239 1,242 11,247 2,248 2,255 12,256 1,258 2,259 7,262 2,264 1,267 13,268 1,270 2004,271 21.43,272 21.43,273 21.43,274 21.43,275 21.43,276 19.393,277 22.766,278 12.984,279 21.713,280 16.752,281 16.752,282 16.752,283 16.752,284 16.752,285 13.778,286 26.815,287 6.11,288 17.252,289 4.405,290 2.183,291 0.975,292 0.492,293 0.425,294 0.425,295 4.183,299 1,300 1,301 804,302 4.359,306 346.212,313 2.148,314 38.388,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 70,326 388,327 4.456,328 4.076,329 7.318,330 4.366,331 3.414,332 3.887,333 2.341,334 12.567,335 3.246,336 4.21,337 3.798,338 6.501,339 3.959,340 2.991,341 3.589,342 2.035,343 10.197,344 2.893,345 4.101,346 3.597,347 6.118,348 3.747,349 2.766,350 3.326,351 1.465,352 8.902,353 2.707,354 3.566,355 3.336,356 5.25,357 3.257,358 2.265,359 2.732,360 0.86,361 6.411,362 2.237,363 3.513,364 2.882,365 4.892,366 3.217,367 2.222,368 2.674,369 0.811,370 5.195,371 2.193,372 3.364,373 2.481,374 4.659,375 2.736,376 1.769,377 2.253,379 5.16,380 1.702,381 3.118,382 2.273,383 4.304,384 2.575,385 1.61,386 2.203,388 3.989,389 1.55,390 2.906,391 1.957,392 4.121,393 2.498,394 1.517,395 2.053,397 3.636,398 1.489,399 2.84,400 1.862,401 3.64,402 2.444,403 1.469,404 1.917,406 3.138,407 1.422,408 2.66,409 1.665,410 3.621,411 2.365,412 1.386,413 1.58,415 3.016,416 1.35,417 2.583,418 1.475,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.5,427 1.399,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.169,436 1.216,437 3.235,438 1.772,439 0.779,440 0.974,442 1.671,443 0.769,444 1.918,445 1,446 3.01,447 1.483,448 0.532,449 0.831,451 0.903,452 0.504,453 1.325,454 0.741,455 2.737,456 1.038,457 0.074,458 0.085,460 0.171,461 0.07,462 14.967,463 0.468,464 0.769,465 0.024,466 37.75,467 1.18,468 18,469 0.563,470 19.75,471 0.617,472 31.789,473 0.993,474 35.433,475 0.591,476 30.386,477 0.95,478 7.378,479 0.231,480 8.025,481 0.251,482 0.138,483 0.033,484 0.234,487 0.822,488 1.252,489 0.811,490 1.185,491 0.69,492 1.029,493 0.945,494 1.111,495 0.911,496 1.106,497 0.524,498 1.02,499 1.241,500 1.123,501 1.087,502 1.128,503 0.849,504 1.092,505 1.455,506 0.753,507 1.046,508 0.76,509 0.845,510 0.821,511 0.907,512 1.219,513 1.071,514 1.228,515 0.669,516 1.192,517 0.835,518 1.026,519 0.942,520 1.035,521 0.591,522 1.013,523 1.038,524 0.959,525 1.105,526 1.002,527 0.943,528 1.056,529 0.817,530 0.856,531 0.902,532 0.863,533 0.686,534 0.89,535 6.5,536 0.182,537 3.778,538 2,539 1.787,540 1.444,541 0.628,542 0.483,543 0.447,544 0.256,545 13284,546 39904,547 2.004,548 46.7,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.749,559 1.873,560 3.539,561 -0.372,563 1,567 90.101,568 1.502,569 3.724,570 4.931,571 5.415,572 5.482,573 5.482,574 3.114,575 4.476,576 4.962,577 3.77,578 1869.84,579 8.712,580 27686.6,582 1,585 354.413,586 1.501,587 4.922,588 0.191,589 0.006,590 0.082,591 0.042,592 0.038,593 0.029,594 0.013,595 0.011,596 0.011,597 0.007,598 0.431,599 0.33,600 1,601 1.606,602 168.492,603 -0.038,604 -0.095,605 0.039,606 -0.057,607 -0.04,608 -0.004,609 0.097,610 -0.051,611 0.024,612 -0.054,613 0.126,614 -0.03,615 -0.024,616 -0.134,617 -0.098,618 -0.121,619 -0.053,620 -0.124,621 -0.166,622 0.184,623 -0.008,624 0.198,625 -0.042,626 0.134,627 -0.079,628 -0.189,629 -0.145,630 -0.192,631 -0.035,632 -0.184,633 -0.007,634 -0.06,635 0.03,636 -0.052,637 0.017,638 -0.011,639 -0.057,640 0.016,641 -0.113,642 -0.037,643 -0.076,644 -0.08,645 -0.045,646 0.096,647 0.076,648 0.11,649 -0.037,650 0.118,651 2.477,652 3.692,653 0.563,654 38.375,655 1.005,656 1.124,657 2.202,658 4.848,659 0.653,660 3.555,661 3.85,662 4.06,663 4.277,664 4.511,665 4.564,666 4.654,667 4.727,668 4.812,669 4.868,670 7.369,671 0.624,672 436.55,673 3.555,674 5.081,675 5.905,676 6.772,677 7.623,678 8.5,679 9.365,680 10.248,681 11.121,682 12.009,683 3.3,692 1,693 1,699 8,700 1,704 3,706 12,707 1,722 1,724 60,726 15,727 1,728 34,730 62,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,752 1,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,772 28,773 7,774 1,775 7,779 2,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 32,845 1,846 4,848 3,850 3,852 1,853 1,858 1,860 1,862 8.3,864 1,865 1,866 2,867 1,869 17.083,870 11.1,871 7.208,872 3.553,874 2.107,875 1.287,876 0.903,877 8.273,878 9.457,879 3.807,880 4.263,881 4.687,882 5.136,883 5.576,884 5.585,885 5.801,886 5.964,887 6.141,888 6.42,889 1,890 48,891 11.86,893 4.987,894 7.904,895 22.35,897 18.01,899 2.404,900 76.917,903 1,904 317.82,905 153.237,906 47.845,908 100.828,911 153.237,912 418.648,913 47.845,914 17.65,915 12.196,916 76.17,917 147.667,918 71.769,919 11.771,920 282.506,922 317.82,923 201.082,924 100.828,927 235.422,928 161.226,929 22,930 0.36,931 79.001,932 85.984,933 35.738,935 317.82,936 148.673,937 153.237,940 318.179,941 24.72,942 111.555,943 16.602,944 148.673,945 317.82,946 148.673,947 153.237,949 0.57,950 0.319,951 0.167,952 0.094,953 19,954 9,955 0.145,956 9,958 1,959 4.232,960 280.069,962 18,963 158,968 23.786,969 11.13,970 6.564,972 148.673,973 14.415,974 4.23,978 1.871,980 42.683,981 619.73,982 44,987 10.692,989 3.862,991 -0.81,994 60.327,995 67.441,996 0.254,997 0.63,998 0.835,999 0.917,1000 0.928,1001 0.928,1002 5.05,1003 1.517,1004 5.9,1005 3.989,1006 4.533,1007 4.949,1008 3.216,1009 6.72,1010 4.468,1011 6.231,1012 1.469,1013 7.47,1014 3.636,1015 4.205,1016 4.559,1017 2.243,1018 7.901,1019 4.107,1020 7.52,1021 1.386,1022 9.163,1023 3.138,1024 6.168,1025 6.949,1026 4.42,1027 10.94,1028 6.031,1029 8.838,1030 1,1031 10.936,1032 3.016,1033 6.698,1034 7.347,1035 4.112,1036 12.982,1037 6.512,1038 10.19,1039 1,1040 12.762,1041 2.476,1042 8.159,1043 9.239,1044 5.842,1045 15.624,1046 7.934,1047 11.565,1048 0.779,1049 14.624,1050 2.136,1051 9.071,1052 10.026,1053 5.889,1054 17.963,1055 8.788,1056 12.959,1057 0.532,1058 16.512,1059 1.671,1060 10.351,1061 11.684,1062 7.361,1063 20.502,1064 10.026,1065 3.414,1066 0.074,1067 18.42,1068 0.903,1069 11.428,1070 12.686,1071 7.625,1072 22.948,1073 11.045,1074 2.991,1075 12.567,1076 20.341,1077 0.171,1078 12.648,1079 14.216,1080 8.931,1081 25.464,1082 12.218,1083 2.766,1084 10.197,1085 22.274,1086 3.887,1087 13.797,1088 15.346,1089 9.342,1090 27.954,1091 13.31,1092 2.265,1093 8.902,1094 24.216,1095 3.589,1096 15.001,1097 16.8,1098 10.535,1099 30.469,1100 14.463,1101 2.222,1102 6.411,1103 26.164,1104 3.326,1105 16.183,1106 18.008,1107 11.051,1108 32.977,1109 15.589,1110 1.769,1111 5.195,1112 28.118,1113 2.732,1114 17.386,1115 19.418,1116 12.161,1117 35.496,1118 16.74,1119 1.61,1120 5.16,1121 30.078,1122 2.674,1123 18.584,1124 20.675,1125 12.755,1126 38.013,1127 17.883,1128 13201,1129 22971,1130 22.246,1131 39.182,1132 51.639,1133 53.555,1134 51.09,1135 49.627,1136 49.587,1137 61.478,1138 15.023,1139 139.138,1140 47.981,1141 5.456,1142 6.076,1143 7.12,1144 5.441,1145 5.414,1146 6.887,1147 4.376,1148 20.047,1149 5.246,1150 17.066,1151 1.519,1152 1.575,1153 1.503,1154 1.46,1155 1.458,1156 1.808,1157 0.442,1158 4.092,1159 1.411,1160 3.991,1161 4.015,1162 3.927,1163 3.879,1164 7.474,1165 3.885,1166 3.902,1167 3.928,1168 3.848,1169 3.821,1170 6.82,1171 3.823,1172 3.76,1173 3.803,1174 3.663,1175 3.645,1176 6.351,1177 3.641,1178 3.697,1179 3.732,1180 3.595,1181 3.536,1182 4.946,1183 3.543,1184 3.554,1185 3.601,1186 3.433,1187 3.399,1188 4.841,1189 3.396,1190 3.324,1191 3.353,1192 3.213,1193 3.111,1194 4.702,1195 3.129,1196 3.183,1197 3.236,1198 3.143,1199 3.032,1200 4.389,1201 3.052,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.317,1207 2.791,1208 0.131,1209 0.12,1210 0.215,1211 0.128,1212 0.1,1213 4.456,1214 0.114,1215 4.076,1216 0.069,1217 7.318,1218 0.37,1219 4.366,1220 0.095,1221 3.414,1222 3.887,1223 2.341,1224 12.567,1225 3.246,1226 1.914,1227 1.89,1228 2.048,1229 2.059,1230 1.362,1231 2.052,1232 1.889,1233 1.863,1234 1.996,1235 1.987,1236 1.149,1237 1.989,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.112,1243 1.906,1244 1.661,1245 1.622,1246 1.873,1247 1.845,1248 1.024,1249 1.852,1250 1.534,1251 1.485,1252 1.772,1253 1.726,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.506,1260 0.647,1261 1.495,1262 1.12,1263 1.075,1264 1.417,1265 1.296,1266 0.469,1267 1.308,1268 0.94,1269 0.888,1270 1.229,1271 1.239,1272 0.397,1273 1.275,1274 4.234,1276 5.533,1278 7.031,1280 8.621,1282 10.264,1284 3.747,1289 8.786,1290 1.728,1292 18.623,1294 -0.883,1296 -0.851,1298 9.364,1299 2.144,1300 37.465,1301 90.101,1302 223.443,1303 295.884,1304 324.904,1305 328.904,1306 328.904,1307 82.509,1308 7.35,1309 101.67,1310 101.67,1311 18,1312 12.543,1313 4,1314 3.459,1315 60.935,1316 136,1317 166,1318 0.213,1319 232.695,1320 421.73,1321 559.535,1322 14663,1324 22.976,1325 0.718,1326 0.572,1327 22.976,1328 18.309,1329 15.403,1330 0.453,1331 0.312,1332 10.474,1333 14.786,1334 10.181,1335 8.453,1336 15.403,1337 10.624,1338 13.769,1339 0.299,1340 0.179,1341 13.769,1342 8.221,1343 10.644,1344 0.187,1345 0.092,1346 10.644,1347 5.251,1348 8.545,1349 0.12,1350 0.051,1351 8.545,1352 3.608,1353 6.919,1354 0.077,1355 0.028,1356 6.919,1357 2.49,1358 0.334,1359 96.913,1360 0.212,1361 30.011,1362 0.585,1363 160,1364 512.382,1365 179.353,1366 483.009,1367 638.45,1368 450,1369 183,1370 446.461,1371 202.329,1372 448.301,1373 650.12,1374 419,1375 7.347} {0 CHEMBL161911,1 1.539,2 12,3 4.407,4 19.421,5 121.25,6 8.312,7 0.364,8 4.156,9 4.254,10 3.807,11 3.691,12 5.238,13 3.659,14 4.717,15 4.863,16 4.216,17 4.069,18 5.825,19 4.018,20 5.02,21 5.195,22 4.388,23 4.227,24 6.041,25 4.148,26 5.132,27 5.353,28 4.238,29 4.246,30 6.05,31 4.146,32 5.038,33 5.224,34 4.356,35 4.33,36 5.982,37 4.219,38 5.241,39 5.48,40 4.363,41 4.377,42 6.124,43 4.236,44 5.142,45 5.373,46 4.172,47 4.285,48 6.043,49 4.149,50 5.094,51 5.356,52 4.109,53 4.223,54 5.952,55 4.066,56 0.049,57 0.752,58 11.233,59 6.037,60 13.596,61 7.36,62 0.413,63 1.214,64 24.35,65 10.117,66 56.431,67 12.435,68 0.72,69 1.532,70 42.294,71 13.604,72 70.455,73 16.424,74 0.858,75 1.644,76 51.695,77 14.905,78 83.201,79 18.314,80 0.337,81 1.657,82 39.456,83 14.719,84 50.796,85 18.47,86 0.736,87 1.915,88 75.542,89 18.099,90 77.948,91 22.998,92 0.613,93 1.755,94 43.361,95 15.368,96 73.898,97 20.075,98 0.575,99 1.666,100 54.231,101 15.144,102 67.733,103 19.94,104 32,105 45,106 0.252,107 0.6,108 0.801,109 0.881,110 0.892,111 0.892,112 3.472,113 1.012,114 -4.37,115 -4.3,116 -4.06,117 1,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 9,175 1,177 1,180 10,181 1,185 2,186 12,191 1,194 8,195 1,197 1,198 7,203 1,206 8,207 1,210 9,215 1,218 14,219 1,221 1,222 13,227 1,229 9,230 1,233 1,234 10,239 1,242 9,247 2,248 2,255 12,256 1,258 2,259 4,262 2,264 1,267 13,268 1,270 1872,271 20.559,272 20.559,273 20.559,274 20.559,275 20.559,276 18.562,277 21.144,278 12.464,279 20.97,280 16.315,281 16.315,282 16.315,283 16.315,284 16.315,285 13.53,286 25.228,287 5.961,288 17.095,289 4.343,290 2.22,291 0.992,292 0.5,293 0.432,294 0.432,295 4.152,300 1,301 773,302 4.243,306 335.228,313 2.065,314 33.555,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 67.25,326 372,327 4.445,328 3.81,329 7.318,330 4.364,331 3.413,332 3.806,333 2.341,334 12.563,335 3.243,336 4.165,337 3.597,338 6.501,339 3.956,340 2.989,341 3.588,342 1.465,343 10.195,344 2.889,345 4.05,346 3.355,347 6.012,348 3.633,349 2.72,350 3.312,351 0.86,352 8.473,353 2.43,354 3.566,355 3.103,356 5.25,357 3.256,358 2.265,359 2.732,360 0.811,361 6.409,362 2.237,363 3.511,364 2.516,365 4.865,366 3.217,367 2.222,368 2.674,370 5.186,371 2.192,372 3.119,373 2.3,374 4.659,375 2.725,376 1.759,377 2.204,379 5.101,380 1.691,381 2.906,382 1.982,383 4.17,384 2.553,385 1.595,386 2.069,388 3.74,389 1.525,390 2.856,391 1.868,392 4.092,393 2.444,394 1.475,395 1.977,397 3.582,398 1.422,399 2.825,400 1.831,401 3.637,402 2.377,403 1.414,404 1.91,406 3.136,407 1.358,408 2.584,409 1.503,410 3.6,411 2.308,412 1.381,413 1.579,415 2.965,416 1.178,417 2.5,418 1.399,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.169,427 1.216,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.235,438 1.772,439 0.779,440 0.832,442 1.67,443 0.768,444 1.378,445 0.741,446 3.007,447 1.051,448 0.157,449 0.183,451 0.374,452 0.118,453 1.262,454 0.569,455 2.685,456 0.961,457 0.048,458 0.055,460 0.111,461 0.043,462 15.4,463 0.497,464 0.807,465 0.026,466 34,467 1.097,468 15,469 0.484,470 19,471 0.613,472 34.703,473 1.119,474 34.4,475 0.583,476 24.786,477 0.8,478 6.464,479 0.209,480 8.401,481 0.271,482 0.195,483 0.032,484 0.227,487 0.819,488 1.263,489 0.538,490 1.02,491 0.78,492 0.991,493 0.946,494 1.134,495 0.608,496 0.958,497 0.579,498 0.978,499 1.222,500 1.123,501 0.85,502 1.053,503 0.959,504 1.069,505 1.465,506 0.744,507 0.825,508 0.741,509 0.911,510 0.815,511 0.908,512 1.245,513 0.83,514 1.117,515 0.616,516 1.161,517 0.846,518 0.989,519 1.352,520 1.17,521 0.583,522 1.053,523 0.987,524 1.037,525 0.523,526 0.884,527 0.784,528 1.017,529 0.848,530 0.841,531 0.932,532 0.862,533 0.755,534 0.889,535 6.5,536 0.182,537 3.778,538 2,539 1.747,540 1.271,541 0.628,542 0.483,543 0.435,544 0.24,545 12283,546 37791,547 2.004,548 47.5,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.741,559 1.869,560 3.522,561 -0.361,563 1,567 90.821,568 1.539,569 3.663,570 4.891,571 5.382,572 5.45,573 5.45,574 3.112,575 4.503,576 4.916,577 3.742,578 1740.19,579 8.618,580 25165.8,585 347.076,586 1.525,587 4.873,588 0.197,589 0.006,590 0.084,591 0.043,592 0.04,593 0.027,594 0.014,595 0.012,596 0.012,597 0.007,598 0.442,599 0.17,600 0.88,601 1.543,602 161.578,603 -0.039,604 -0.098,605 0.007,606 -0.045,607 -0.083,608 -0.004,609 0.094,610 -0.056,611 0.027,612 -0.018,613 0.158,614 -0.021,615 0.002,616 -0.122,617 -0.006,618 -0.096,619 -0.066,620 -0.119,621 -0.2,622 0.205,623 -0.018,624 0.179,625 -0.093,626 0.128,627 -0.075,628 -0.21,629 -0.029,630 -0.141,631 -0.016,632 -0.17,633 0.014,634 -0.02,635 -0.08,636 -0.126,637 0.014,638 -0.042,639 -0.075,640 -0.058,641 0.013,642 -0.005,643 -0.076,644 -0.054,645 -0.061,646 0.129,647 -0.005,648 0.094,649 -0.053,650 0.105,651 2.461,652 3.688,653 0.581,654 36.747,655 1.006,656 1.122,657 3.139,658 9.854,659 0.666,660 3.526,661 3.829,662 4.025,663 4.234,664 4.477,665 4.511,666 4.615,667 4.7,668 4.779,669 4.796,670 7.223,671 0.627,672 490.43,673 3.526,674 5.056,675 5.878,676 6.744,677 7.593,678 8.469,679 9.332,680 10.215,681 11.087,682 11.973,683 1.7,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 59,726 14,727 1,728 33,729 1,730 61,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,772 28,773 6,774 1,775 7,776 1,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,835 1,836 2,840 31,845 1,846 4,848 3,850 3,852 1,861 1,862 8.5,864 1,865 1,866 2,867 1,869 16.583,870 10.793,871 6.875,872 3.476,874 1.854,875 1.255,876 0.911,877 8.529,878 9.124,879 3.738,880 4.22,881 4.6,882 5.024,883 5.478,884 5.405,885 5.62,886 5.878,887 6.06,888 6.242,889 1,890 46,891 11.505,893 4.816,894 7.796,895 21.912,897 17.729,899 2.296,900 71.167,904 317.82,905 136.505,906 62.74,908 100.828,911 182.459,912 418.648,913 16.786,914 17.65,915 12.196,916 76.17,917 131.066,918 40.579,919 11.771,920 282.506,921 45.954,922 317.82,923 153.29,924 100.828,926 45.954,927 235.422,928 161.226,929 22,930 0.36,931 47.941,932 69.251,933 35.738,934 45.954,935 317.82,936 117.613,937 182.459,940 318.179,941 24.59,942 111.555,943 45.954,944 117.613,945 317.82,946 117.613,947 182.459,949 0.575,950 0.316,951 0.162,952 0.092,953 19,954 9,955 0.148,956 9,958 1,959 4.166,960 267.849,962 18,963 151.58,968 23.773,969 11.121,970 6.797,972 117.613,973 15.136,974 4.248,978 2.574,980 42.683,981 617.892,982 41,987 10.688,989 3.91,991 -0.794,994 59.338,995 66.2,996 0.262,997 0.623,998 0.831,999 0.915,1000 0.927,1001 0.927,1002 4.977,1003 1.475,1004 5.878,1005 3.74,1006 4.511,1007 4.905,1008 2.812,1009 6.696,1010 4.414,1011 6.152,1012 1.414,1013 7.448,1014 3.582,1015 4.205,1016 4.559,1017 2.243,1018 7.874,1019 4.035,1020 7.439,1021 1.381,1022 9.142,1023 3.136,1024 6.146,1025 6.896,1026 3.888,1027 10.913,1028 5.957,1029 8.757,1030 1,1031 10.914,1032 2.965,1033 6.686,1034 7.303,1035 4.112,1036 12.954,1037 6.419,1038 10.109,1039 1,1040 12.74,1041 2.476,1042 8.139,1043 9.173,1044 5.312,1045 15.6,1046 7.849,1047 11.484,1048 0.779,1049 14.602,1050 2.136,1051 9.054,1052 9.944,1053 5.889,1054 17.941,1055 8.693,1056 12.878,1057 0.157,1058 16.491,1059 1.67,1060 10.333,1061 11.596,1062 6.893,1063 20.483,1064 9.938,1065 3.413,1066 0.048,1067 18.399,1068 0.374,1069 11.412,1070 12.57,1071 7.625,1072 22.932,1073 10.956,1074 2.989,1075 12.563,1076 20.322,1077 0.111,1078 12.631,1079 14.099,1080 8.544,1081 25.451,1082 12.135,1083 2.72,1084 10.195,1085 22.256,1086 3.806,1087 13.782,1088 15.194,1089 9.342,1090 27.942,1091 13.23,1092 2.265,1093 8.473,1094 24.198,1095 3.588,1096 14.986,1097 16.648,1098 10.223,1099 30.459,1100 14.39,1101 2.222,1102 6.409,1103 26.148,1104 3.312,1105 16.169,1106 17.82,1107 11.051,1108 32.969,1109 15.52,1110 1.759,1111 5.186,1112 28.104,1113 2.732,1114 17.373,1115 19.226,1116 11.915,1117 35.488,1118 16.677,1119 1.595,1120 5.101,1121 30.064,1122 2.674,1123 18.572,1124 20.449,1125 12.755,1126 38.007,1127 17.824,1128 12177,1129 21458,1130 21.553,1131 39.29,1132 49.24,1133 50.105,1134 49.781,1135 48.523,1136 48.433,1137 59.112,1138 10.954,1139 136.236,1140 45.905,1141 5.445,1142 5.81,1143 7.12,1144 5.441,1145 5.413,1146 6.806,1147 3.925,1148 20.036,1149 5.243,1150 16.638,1151 1.492,1152 1.518,1153 1.509,1154 1.47,1155 1.468,1156 1.791,1157 0.332,1158 4.128,1159 1.391,1160 3.985,1161 4.011,1162 6.88,1163 3.879,1164 7.474,1165 3.877,1166 3.886,1167 3.908,1168 3.904,1169 3.823,1170 6.351,1171 3.815,1172 3.759,1173 3.803,1174 3.753,1175 3.645,1176 4.951,1177 3.64,1178 3.694,1179 3.729,1180 3.655,1181 3.536,1182 4.861,1183 3.542,1184 3.553,1185 3.6,1186 3.585,1187 3.399,1188 4.718,1189 3.396,1190 3.324,1191 3.353,1192 3.429,1193 3.111,1194 4.391,1195 3.129,1196 2.967,1197 3.016,1198 3.213,1199 2.889,1200 4.319,1201 2.804,1202 2.954,1203 3.009,1204 2.827,1205 2.795,1206 4.066,1207 2.791,1208 0.135,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.445,1214 0.115,1215 3.81,1216 0.071,1217 7.318,1218 0.381,1219 4.364,1220 0.098,1221 3.413,1222 3.806,1223 2.341,1224 12.563,1225 3.243,1226 1.91,1227 1.883,1228 2.047,1229 2.057,1230 1.362,1231 2.051,1232 1.87,1233 1.85,1234 1.963,1235 1.962,1236 1.149,1237 1.97,1238 1.749,1239 1.706,1240 1.926,1241 1.893,1242 1.112,1243 1.906,1244 1.659,1245 1.621,1246 1.867,1247 1.838,1248 1.023,1249 1.848,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.505,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.831,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.205,1276 5.509,1278 7.008,1280 8.597,1282 10.237,1283 3.522,1284 3.896,1289 8.785,1290 1.854,1292 18.775,1294 -0.698,1296 -0.73,1300 36.996,1301 90.821,1302 216.105,1303 288.547,1304 317.566,1305 321.566,1306 321.566,1307 74.207,1308 7.27,1309 77.88,1310 77.88,1311 18,1312 12.508,1313 3.907,1314 3.17,1315 57.976,1316 128,1317 158,1318 0.213,1319 234.077,1320 417.99,1321 562.907,1322 13176,1323 1.7,1324 22.269,1325 0.718,1326 0.623,1327 23.269,1328 19.325,1329 14.865,1330 0.45,1331 0.337,1332 10.246,1333 13.757,1334 9.908,1335 8.205,1336 15.442,1337 11.132,1338 13.578,1339 0.302,1340 0.198,1341 14.32,1342 8.898,1343 10.342,1344 0.188,1345 0.104,1346 11.102,1347 5.736,1348 8.151,1349 0.12,1350 0.057,1351 8.639,1352 3.854,1353 6.739,1354 0.077,1355 0.032,1356 7.305,1357 2.783,1358 0.335,1359 101.703,1360 0.215,1361 29.256,1362 0.588,1363 156,1364 487.391,1365 240.53,1366 491.262,1367 643.19,1368 458,1369 178,1370 426.785,1371 232.458,1372 439.1,1373 641.33,1374 411,1375 7.538} {0 CHEMBL162032,1 1.451,2 12.125,3 3.642,4 13.265,5 120.091,6 7.009,7 0.353,8 4.221,9 4.322,10 3.721,11 3.699,12 5.311,13 3.683,14 4.784,15 4.938,16 4.069,17 4.059,18 5.881,19 4.029,20 5.056,21 5.229,22 4.167,23 4.22,24 6.084,25 4.165,26 5.192,27 5.41,28 4.122,29 4.268,30 6.123,31 4.194,32 5.14,33 5.332,34 4.168,35 4.352,36 6.08,37 4.262,38 5.324,39 5.568,40 4.172,41 4.402,42 6.206,43 4.283,44 5.256,45 5.489,46 4.064,47 4.35,48 6.153,49 4.22,50 5.257,51 5.538,52 3.946,53 4.253,54 6.079,55 4.116,56 0.049,57 0.814,58 14.031,59 6.404,60 14.524,61 8.038,62 0.482,63 1.278,64 27.002,65 10.113,66 61.058,67 13.081,68 0.773,69 1.584,70 36.578,71 12.87,72 71.866,73 16.81,74 0.871,75 1.728,76 43.555,77 14.172,78 84.751,79 18.889,80 0.415,81 1.81,82 38.78,83 14.835,84 58.28,85 19.853,86 0.921,87 2.042,88 49.125,89 16.74,90 87.377,91 23.503,92 0.624,93 1.931,94 45.148,95 16.044,96 79.042,97 22.281,98 0.801,99 1.841,100 47.204,101 15.046,102 84.399,103 21.735,104 35,105 46,106 0.234,107 0.576,108 0.793,109 0.862,110 0.873,111 0.883,112 3.502,113 0.95,114 -3.51,115 -3.48,116 -3.33,118 39.7,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 10,175 1,177 1,180 9,181 1,185 3,186 13,191 1,194 6,195 1,197 1,198 8,203 1,206 7,207 1,210 11,215 1,218 12,219 1,221 3,222 11,227 1,229 9,230 1,233 1,234 10,239 1,242 9,247 4,248 2,255 10,256 1,258 2,259 6,262 2,264 1,267 11,268 1,270 2004,271 21.43,272 21.43,273 21.43,274 21.43,275 21.43,276 19.485,277 23.666,278 12.984,279 21.876,280 16.752,281 16.752,282 16.752,283 16.752,284 16.752,285 13.957,286 28.896,287 6.11,288 17.415,289 4.527,290 2.411,291 1.068,292 0.639,293 0.576,294 0.512,295 4.183,299 1,300 1,301 804,302 4.359,306 346.212,313 2.148,314 35.916,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 70.5,326 388,327 4.448,328 3.808,329 7.318,330 4.366,331 3.414,332 3.83,333 2.341,334 12.567,335 3.245,336 4.176,337 3.597,338 6.501,339 3.958,340 2.991,341 3.588,342 1.465,343 10.197,344 2.891,345 4.071,346 3.349,347 6.118,348 3.717,349 2.766,350 3.316,351 0.86,352 8.902,353 2.62,354 3.566,355 3.065,356 5.25,357 3.257,358 2.265,359 2.732,360 0.86,361 6.411,362 2.237,363 3.511,364 2.516,365 4.892,366 3.217,367 2.222,368 2.674,369 0.811,370 5.195,371 2.192,372 3.12,373 2.302,374 4.659,375 2.733,376 1.769,377 2.204,379 5.16,380 1.698,381 2.917,382 2.002,383 4.304,384 2.564,385 1.61,386 2.091,388 3.989,389 1.534,390 2.904,391 1.892,392 4.121,393 2.468,394 1.517,395 2.03,397 3.636,398 1.438,399 2.836,400 1.857,401 3.64,402 2.444,403 1.469,404 1.915,406 3.138,407 1.422,408 2.584,409 1.513,410 3.621,411 2.364,412 1.386,413 1.579,415 3.016,416 1.347,417 2.5,418 1.399,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.169,427 1.216,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.235,438 1.772,439 0.779,440 0.833,442 1.671,443 0.769,444 1.721,445 0.94,446 3.01,447 1.417,448 0.532,449 0.615,451 0.903,452 0.466,453 1.286,454 0.74,455 2.737,456 1.038,457 0.074,458 0.084,460 0.171,461 0.07,462 14.9,463 0.466,464 0.769,465 0.024,466 35.5,467 1.109,468 15.5,469 0.484,470 20,471 0.625,472 33.256,473 1.039,474 36.7,475 0.583,476 28.919,477 0.904,478 7.147,479 0.223,480 8.256,481 0.258,482 0.145,483 0.034,484 0.235,487 0.848,488 1.348,489 0.843,490 1.274,491 0.792,492 1.091,493 1.053,494 1.107,495 0.934,496 1.075,497 0.633,498 0.993,499 1.182,500 1.144,501 1.091,502 1.14,503 0.964,504 1.106,505 1.418,506 0.807,507 1.067,508 0.816,509 0.917,510 0.863,511 0.97,512 1.258,513 1.097,514 1.252,515 0.654,516 1.211,517 0.866,518 0.936,519 0.964,520 0.95,521 0.598,522 0.971,523 0.92,524 1.139,525 1.077,526 1.144,527 0.759,528 1.146,529 0.96,530 0.723,531 0.883,532 0.723,533 0.762,534 0.771,535 6.5,536 0.182,537 3.778,538 2,539 1.787,540 1.444,541 0.628,542 0.483,543 0.447,544 0.256,545 13284,546 37900,547 2.004,548 49.2,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.749,559 1.873,560 3.539,561 -0.372,563 1,567 91.382,568 1.451,569 3.566,570 4.909,571 5.338,572 5.402,573 5.465,574 3.114,575 4.476,576 4.962,577 3.77,578 1869.84,579 8.712,580 27686.6,582 1,585 376.569,586 1.501,587 4.922,588 0.191,589 0.006,590 0.082,591 0.042,592 0.038,593 0.029,594 0.013,595 0.011,596 0.011,597 0.007,598 0.431,599 0.33,600 1,601 1.606,602 168.492,603 -0.035,604 -0.135,605 0.049,606 -0.092,607 -0.078,608 -0.017,609 0.048,610 -0.017,611 0.04,612 -0.014,613 0.138,614 0.009,615 0.025,616 -0.117,617 -0.091,618 -0.118,619 -0.056,620 -0.127,621 -0.187,622 0.154,623 -0.04,624 0.148,625 -0.095,626 0.092,627 -0.093,628 -0.207,629 -0.154,630 -0.2,631 -0.037,632 -0.192,633 0.035,634 0.04,635 0.012,636 0.024,637 0.018,638 0.016,639 -0.058,640 -0.153,641 -0.117,642 -0.147,643 -0.07,644 -0.147,645 -0.079,646 0.205,647 0.11,648 0.204,649 -0.048,650 0.2,651 2.465,652 3.702,653 0.563,654 38.375,655 1.005,656 1.127,657 2.277,658 5.187,659 0.637,660 3.555,661 3.85,662 4.06,663 4.277,664 4.511,665 4.564,666 4.654,667 4.727,668 4.812,669 4.868,670 7.369,671 0.607,672 441.57,673 3.555,674 5.081,675 5.905,676 6.772,677 7.623,678 8.5,679 9.365,680 10.248,681 11.121,682 12.009,683 1.6,693 1,699 8,700 1,704 3,706 12,722 2,724 63,726 14,727 1,728 34,730 65,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 31,773 7,774 1,775 7,779 1,784 1,785 6,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 32,845 1,846 4,848 4,850 3,852 1,862 9.5,864 1,865 1,866 2,867 2,869 17.083,870 11.817,871 7.208,872 3.649,874 1.898,875 1.258,876 0.898,877 8.682,878 9.248,879 3.761,880 4.234,881 4.63,882 5.063,883 5.511,884 5.468,885 5.684,886 5.908,887 6.088,888 6.305,889 1,890 48,891 11.875,893 4.942,894 7.81,895 22.551,897 18.054,899 2.31,900 73.917,903 1,904 353.133,905 149.576,906 16.786,908 111.828,911 149.576,912 464.961,913 16.786,914 28.533,915 12.196,916 76.17,917 131.066,918 53.767,919 11.771,920 317.82,922 353.133,923 166.362,924 111.828,927 270.735,928 172.226,929 22,930 0.36,931 47.941,932 82.323,933 35.738,935 353.133,936 128.613,937 149.576,940 353.493,941 26.778,942 122.438,944 128.613,945 353.133,946 128.613,947 149.576,949 0.57,950 0.319,951 0.167,952 0.094,953 19,954 9,955 0.154,956 10,958 1,959 4.232,960 280.069,962 18,963 156,968 24.244,969 11.459,970 6.796,972 128.613,973 14.902,974 4.249,978 2.232,980 42.683,981 631.323,982 42,987 10.702,989 3.899,991 -0.799,994 63.32,995 70.983,996 0.243,997 0.597,998 0.821,999 0.893,1000 0.904,1001 0.914,1002 4.997,1003 1.517,1004 5.9,1005 3.989,1006 4.533,1007 4.92,1008 2.897,1009 6.72,1010 4.453,1011 6.166,1012 1.469,1013 7.47,1014 3.636,1015 4.205,1016 4.559,1017 2.243,1018 7.901,1019 4.087,1020 7.452,1021 1.386,1022 9.163,1023 3.138,1024 6.168,1025 6.91,1026 3.91,1027 10.94,1028 6.005,1029 8.771,1030 1,1031 10.936,1032 3.016,1033 6.698,1034 7.318,1035 4.112,1036 12.982,1037 6.481,1038 10.123,1039 1,1040 12.762,1041 2.476,1042 8.159,1043 9.19,1044 5.316,1045 15.624,1046 7.902,1047 11.5,1048 0.779,1049 14.624,1050 2.136,1051 9.071,1052 9.969,1053 5.889,1054 17.963,1055 8.753,1056 12.895,1057 0.532,1058 16.512,1059 1.671,1060 10.351,1061 11.62,1062 6.894,1063 20.502,1064 9.991,1065 3.414,1066 0.074,1067 18.42,1068 0.903,1069 11.428,1070 12.604,1071 7.625,1072 22.948,1073 11.009,1074 2.991,1075 12.567,1076 20.341,1077 0.171,1078 12.648,1079 14.131,1080 8.544,1081 25.464,1082 12.183,1083 2.766,1084 10.197,1085 22.274,1086 3.83,1087 13.797,1088 15.238,1089 9.342,1090 27.954,1091 13.276,1092 2.265,1093 8.902,1094 24.216,1095 3.588,1096 15.001,1097 16.691,1098 10.223,1099 30.469,1100 14.431,1101 2.222,1102 6.411,1103 26.164,1104 3.316,1105 16.183,1106 17.874,1107 11.051,1108 32.977,1109 15.558,1110 1.769,1111 5.195,1112 28.118,1113 2.732,1114 17.386,1115 19.28,1116 11.915,1117 35.496,1118 16.711,1119 1.61,1120 5.16,1121 30.078,1122 2.674,1123 18.584,1124 20.513,1125 12.755,1126 38.013,1127 17.856,1128 13201,1129 22389,1130 22.246,1131 40.154,1132 50.399,1133 51.078,1134 51.09,1135 49.606,1136 49.587,1137 60.254,1138 12.674,1139 139.138,1140 47.573,1141 5.448,1142 5.808,1143 7.12,1144 5.443,1145 5.414,1146 6.83,1147 3.925,1148 20.047,1149 5.245,1150 17.066,1151 1.482,1152 1.502,1153 1.503,1154 1.459,1155 1.458,1156 1.772,1157 0.373,1158 4.092,1159 1.399,1160 3.988,1161 4.013,1162 3.921,1163 3.866,1164 7.474,1165 3.874,1166 3.893,1167 3.915,1168 3.835,1169 3.803,1170 6.351,1171 3.806,1172 3.759,1173 3.803,1174 3.662,1175 3.645,1176 4.974,1177 3.64,1178 3.696,1179 3.73,1180 3.594,1181 3.535,1182 4.899,1183 3.541,1184 3.554,1185 3.6,1186 3.432,1187 3.399,1188 4.746,1189 3.396,1190 3.324,1191 3.353,1192 3.213,1193 3.111,1194 4.453,1195 3.129,1196 3.249,1197 3.315,1198 3.063,1199 2.969,1200 4.372,1201 2.979,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.303,1207 2.791,1208 0.131,1209 0.112,1210 0.215,1211 0.128,1212 0.1,1213 4.448,1214 0.113,1215 3.808,1216 0.069,1217 7.318,1218 0.37,1219 4.366,1220 0.095,1221 3.414,1222 3.83,1223 2.341,1224 12.567,1225 3.245,1226 1.909,1227 1.883,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.869,1233 1.848,1234 1.984,1235 1.985,1236 1.149,1237 1.983,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.11,1243 1.906,1244 1.659,1245 1.621,1246 1.872,1247 1.845,1248 1.018,1249 1.851,1250 1.534,1251 1.484,1252 1.772,1253 1.726,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.573,1259 1.513,1260 0.647,1261 1.532,1262 1.197,1263 1.124,1264 1.494,1265 1.505,1266 0.574,1267 1.495,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.234,1276 5.533,1278 7.031,1280 8.621,1282 10.264,1284 5.461,1289 8.796,1290 1.812,1292 24.21,1294 -0.768,1296 -0.78,1300 38.212,1301 91.382,1302 224.646,1303 309.284,1304 336.304,1305 340.304,1306 344.304,1307 77.995,1308 7.35,1309 87.11,1310 87.11,1311 18,1312 12.543,1313 3.907,1314 3.17,1315 60.935,1316 136,1317 166,1318 0.213,1319 235.751,1320 424.8,1321 566.993,1322 14663,1324 22.976,1325 0.718,1326 0.587,1327 22.976,1328 18.77,1329 15.403,1330 0.453,1331 0.317,1332 10.579,1333 14.678,1334 10.25,1335 8.531,1336 15.403,1337 10.762,1338 13.769,1339 0.299,1340 0.18,1341 13.769,1342 8.264,1343 10.644,1344 0.187,1345 0.093,1346 10.644,1347 5.313,1348 8.545,1349 0.12,1350 0.052,1351 8.545,1352 3.663,1353 6.919,1354 0.077,1355 0.028,1356 6.919,1357 2.511,1358 0.334,1359 97.675,1360 0.212,1361 30.011,1362 0.585,1363 160,1364 516.472,1365 181.537,1366 475.446,1367 632.17,1368 446,1369 183,1370 443.598,1371 204.763,1372 443.051,1373 645.32,1374 413,1375 7.222} {0 CHEMBL162406,1 1.568,2 13.639,3 3.293,4 10.843,5 131.355,6 7.554,7 0.316,8 4.278,9 4.374,10 3.832,11 3.755,12 5.461,13 3.752,14 4.832,15 4.976,16 4.205,17 4.129,18 6.1,19 4.117,20 5.125,21 5.287,22 4.308,23 4.297,24 6.272,25 4.266,26 5.275,27 5.478,28 4.305,29 4.342,30 6.396,31 4.297,32 5.209,33 5.395,34 4.334,35 4.403,36 6.283,37 4.342,38 5.381,39 5.61,40 4.378,41 4.426,42 6.559,43 4.357,44 5.344,45 5.549,46 4.229,47 4.363,48 6.518,49 4.285,50 5.185,51 5.421,52 4.16,53 4.308,54 6.173,55 4.22,56 0.217,57 0.88,58 13.252,59 6.477,60 20.996,61 7.858,62 0.675,63 1.371,64 26.246,65 10.495,66 98.846,67 13.219,68 1.003,69 1.714,70 37.247,71 13.374,72 101.621,73 16.877,74 1.429,75 1.867,76 47.054,77 14.793,78 146.474,79 19.293,80 0.724,81 1.946,82 39.95,83 15.112,84 91.829,85 20.027,86 1.4,87 2.144,88 51.877,89 16.352,90 175.776,91 22.893,92 1.778,93 1.954,94 51.209,95 15.734,96 224.181,97 20.673,98 0.78,99 1.844,100 41.669,101 14.304,102 100.846,103 20.055,104 79,105 53,106 0.249,107 0.614,108 0.816,109 0.876,110 0.881,111 0.881,112 3.616,113 0.916,114 -3.78,115 -3.75,116 -3.56,118 39.4,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 2,142 2,143 2,153 1,154 1,162 2,163 1,167 1,168 10,169 1,171 2,172 12,175 1,177 1,180 10,181 1,185 3,186 17,191 1,194 8,195 1,197 3,198 13,203 1,206 8,207 1,209 1,210 14,215 1,218 12,219 1,221 6,222 18,227 1,229 9,230 1,233 5,234 10,239 1,242 9,247 6,248 2,255 12,256 1,258 4,259 12,262 2,264 1,267 11,268 1,270 2666,271 23.421,272 23.421,273 23.421,274 23.421,275 23.421,276 21.056,277 26.359,278 13.924,279 23.703,280 18.75,281 18.75,282 18.75,283 18.75,284 18.75,285 15.285,286 30.751,287 6.612,288 19.234,289 4.476,290 2.172,291 0.9,292 0.519,293 0.489,294 0.489,295 4.292,300 1,301 1010,302 4.95,306 398.177,313 2.25,314 59.076,317 1,318 0.5,319 0.83,320 1,321 1,322 0.67,323 0.5,324 0.79,325 81,326 491,327 4.51,328 3.857,329 7.319,330 4.369,331 3.417,332 4.176,333 2.612,334 12.574,335 3.248,336 4.337,337 3.757,338 6.506,339 3.999,340 3.026,341 3.591,342 2.341,343 10.213,344 2.952,345 4.126,346 3.597,347 6.433,348 3.927,349 2.947,350 3.411,351 1.465,352 9.855,353 2.879,354 3.951,355 3.538,356 5.848,357 3.563,358 2.555,359 3.364,360 1.277,361 7.883,362 2.56,363 3.567,364 3.329,365 5.252,366 3.257,367 2.266,368 2.795,369 0.86,370 6.415,371 2.237,372 3.523,373 2.77,374 5.05,375 3.218,376 2.223,377 2.728,378 0.811,379 5.544,380 2.193,381 3.448,382 2.457,383 4.667,384 2.896,385 1.939,386 2.66,388 5.183,389 1.849,390 3.117,391 2.261,392 4.657,393 2.692,394 1.714,395 2.202,397 4.694,398 1.67,399 2.855,400 1.967,401 4.129,402 2.522,403 1.56,404 1.935,406 3.653,407 1.499,408 2.777,409 1.874,410 3.843,411 2.44,412 1.46,413 1.779,415 3.138,416 1.42,417 2.615,418 1.852,419 3.637,420 2.269,421 1.236,422 1.599,424 2.982,425 1.265,426 2.581,427 1.409,428 3.595,429 2,430 1,431 1.571,433 2.477,434 1,435 2.5,436 1.355,437 3.48,438 1.958,439 1,440 1.5,442 2.414,443 0.955,444 2.17,445 1.216,446 3.27,447 1.913,448 1,449 1.136,451 2.136,452 0.903,453 1.919,454 1,455 3.247,456 1.772,457 0.779,458 0.832,460 1.671,461 0.768,462 16.467,463 0.457,464 1.092,465 0.03,466 42,467 1.167,468 19.5,469 0.542,470 22.5,471 0.625,472 37.366,473 1.038,474 41.133,475 0.623,476 38.282,477 1.063,478 8.327,479 0.231,480 8.753,481 0.243,482 0.192,483 0.03,484 0.298,487 0.65,488 1.265,489 0.759,490 1.206,491 0.618,492 1.049,493 0.777,494 1.148,495 0.812,496 1.115,497 0.466,498 0.996,499 1.089,500 1.155,501 1.058,502 1.158,503 0.812,504 1.114,505 1.218,506 0.842,507 1.026,508 0.836,509 0.799,510 0.876,511 0.825,512 1.292,513 0.983,514 1.266,515 0.668,516 1.186,517 0.8,518 0.939,519 0.912,520 0.978,521 0.567,522 0.965,523 1.233,524 0.89,525 1.193,526 0.9,527 1.208,528 1.021,529 0.735,530 1.006,531 0.887,532 1.012,533 0.603,534 0.984,535 8.5,536 0.31,537 4.667,538 2.563,539 2.258,540 2.035,541 0.83,542 0.701,543 0.55,544 0.372,545 17944,546 60295,547 1.956,548 45.5,549 4,550 10,551 1,552 2,553 1,554 5,555 6,556 1,558 1.778,559 1.793,560 3.68,561 -0.327,567 103.512,568 1.568,569 3.873,570 5.145,571 5.525,572 5.556,573 5.556,574 3.253,575 4.593,576 5.133,577 3.905,578 2460.08,579 9.052,580 39602.4,585 398.93,586 1.65,587 5.07,588 0.224,589 0.007,590 0.088,591 0.046,592 0.04,593 0.035,594 0.014,595 0.014,596 0.011,597 0.008,598 0.488,599 0.33,600 0.63,601 1.643,602 196.846,603 0.053,604 -0.029,605 0.043,606 -0.031,607 -0.04,608 -0.009,609 0.11,610 -0.048,611 0.086,612 -0.028,613 0.182,614 0.016,615 -0.056,616 -0.12,617 -0.107,618 -0.124,619 -0.061,620 -0.13,621 -0.111,622 0.112,623 -0.015,624 0.137,625 -0.03,626 0.095,627 -0.041,628 -0.241,629 -0.07,630 -0.216,631 -0.017,632 -0.164,633 0.084,634 0.052,635 0.073,636 -0.017,637 0.15,638 0.024,639 -0.09,640 0.044,641 -0.17,642 0.063,643 -0.143,644 -0.057,645 -0.027,646 0.001,647 0.058,648 -0.011,649 -0.01,650 0.042,651 2.592,652 4.668,653 0.5,654 46.065,655 1.018,656 1.129,657 2.554,658 6.523,659 0.641,660 3.664,661 3.989,662 4.19,663 4.407,664 4.663,665 4.771,666 4.844,667 4.913,668 4.934,669 5.03,670 8.01,671 0.623,672 498.58,673 3.664,674 5.209,675 6.038,676 6.915,677 7.773,678 8.658,679 9.529,680 10.42,681 11.298,682 12.193,683 3,693 1,694 1,699 7,700 1,704 4,706 12,710 1,718 1,722 1,724 66,726 17,727 1,728 38,730 68,731 26,733 11,734 3,735 3,736 1,739 3,740 3,745 3,748 1,749 1,751 4,753 15,754 11,755 2,756 5,759 1,761 4,763 2,765 2,772 30,773 9,774 1,775 10,779 2,784 1,785 8,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 36,845 1,846 4,848 3,850 3,852 1,862 12.1,864 1,865 2,866 2,867 1,868 2,869 20.083,870 12.517,871 7.931,872 3.856,874 2.16,875 1.283,876 0.894,877 9.325,878 9.786,879 3.912,880 4.431,881 4.828,882 5.291,883 5.784,884 5.955,885 6.153,886 6.282,887 6.274,888 6.562,889 1,890 56,891 13.431,893 5.79,894 8.132,895 24.699,897 19.88,899 2.632,900 94.75,904 341.362,905 143.874,906 22.456,908 176.72,911 143.874,912 518.082,913 22.456,914 32.146,915 12.196,916 66.693,917 161.344,918 43.466,919 11.771,920 306.049,921 50.747,922 341.362,923 166.33,924 176.72,927 258.964,928 186.371,929 72.747,930 0.36,931 56.766,932 67.796,933 41.408,935 341.362,936 199.175,937 143.874,940 341.722,941 32.611,942 116.574,944 193.505,945 341.362,946 199.175,947 143.874,949 0.583,950 0.32,951 0.161,952 0.094,953 22,954 12,955 0.162,956 11,958 1,959 4.449,960 332.645,962 18,963 182.117,968 27.47,969 12.221,970 7.443,972 193.505,973 11.176,974 4.194,978 0.749,980 42.683,981 684.412,982 49,985 -0.592,987 45.647,989 3.753,991 -1.135,994 67.192,995 74.485,996 0.259,997 0.641,998 0.851,999 0.914,1000 0.919,1001 0.919,1002 5.165,1003 1.714,1004 6.057,1005 5.183,1006 4.673,1007 5.118,1008 3.438,1009 6.893,1010 4.619,1011 6.367,1012 1.56,1013 7.643,1014 4.694,1015 4.443,1016 4.977,1017 2.946,1018 8.065,1019 4.366,1020 7.676,1021 1.46,1022 9.346,1023 3.653,1024 6.326,1025 7.187,1026 4.761,1027 11.101,1028 6.209,1029 9.016,1030 1.236,1031 11.12,1032 3.138,1033 6.899,1034 7.808,1035 5.015,1036 13.107,1037 6.745,1038 10.386,1039 1,1040 12.942,1041 2.982,1042 8.321,1043 9.564,1044 6.386,1045 15.746,1046 8.127,1047 11.778,1048 1,1049 14.796,1050 2.477,1051 9.242,1052 10.54,1053 6.969,1054 18.058,1055 9.001,1056 13.186,1057 1,1058 16.675,1059 2.414,1060 10.502,1061 12.112,1062 8.139,1063 20.589,1064 10.219,1065 3.417,1066 0.779,1067 18.571,1068 2.136,1069 11.577,1070 13.275,1071 8.883,1072 23.019,1073 11.241,1074 3.026,1075 12.574,1076 20.482,1077 1.671,1078 12.784,1079 14.762,1080 9.952,1081 25.527,1082 12.401,1083 2.947,1084 10.213,1085 22.403,1086 4.176,1087 13.927,1088 16.031,1089 10.78,1090 28.005,1091 13.489,1092 2.555,1093 9.855,1094 24.334,1095 3.591,1096 15.121,1097 17.478,1098 11.796,1099 30.514,1100 14.634,1101 2.266,1102 7.883,1103 26.272,1104 3.411,1105 16.296,1106 18.809,1107 12.672,1108 33.015,1109 15.753,1110 2.223,1111 6.415,1112 28.217,1113 3.364,1114 17.492,1115 20.239,1116 13.66,1117 35.529,1118 16.896,1119 1.939,1120 5.544,1121 30.168,1122 2.795,1123 18.683,1124 21.606,1125 14.565,1126 38.042,1127 18.032,1128 17961,1129 33077,1130 24.156,1131 42.307,1132 57.479,1133 59.48,1134 58.64,1135 56.474,1136 56.522,1137 70.883,1138 18.734,1139 162.369,1140 55.056,1141 5.51,1142 5.857,1143 7.121,1144 5.45,1145 5.417,1146 7.176,1147 4.612,1148 20.081,1149 5.248,1150 23.347,1151 1.513,1152 1.565,1153 1.543,1154 1.486,1155 1.487,1156 1.865,1157 0.493,1158 4.273,1159 1.449,1160 4.035,1161 4.052,1162 3.998,1163 3.904,1164 7.815,1165 3.918,1166 3.944,1167 3.972,1168 3.882,1169 3.832,1170 7.474,1171 3.838,1172 3.762,1173 3.805,1174 3.669,1175 3.646,1176 7.428,1177 3.641,1178 3.708,1179 3.741,1180 3.606,1181 3.542,1182 6.999,1183 3.551,1184 3.577,1185 3.606,1186 3.541,1187 3.403,1188 6.351,1189 3.402,1190 3.559,1191 3.594,1192 3.445,1193 3.262,1194 4.944,1195 3.302,1196 3.336,1197 3.364,1198 3.241,1199 3.111,1200 4.83,1201 3.129,1202 3.298,1203 3.342,1204 3.176,1205 2.983,1206 4.682,1207 3.05,1208 0.119,1209 0.101,1210 0.193,1211 0.115,1212 0.09,1213 4.51,1214 0.11,1215 3.857,1216 0.069,1217 7.319,1218 0.331,1219 4.369,1220 0.085,1221 3.417,1222 4.176,1223 2.612,1224 12.574,1225 3.248,1226 1.935,1227 1.919,1228 2.049,1229 2.1,1230 1.362,1231 2.066,1232 1.902,1233 1.873,1234 2.009,1235 2.044,1236 1.154,1237 2.034,1238 1.749,1239 1.706,1240 1.927,1241 1.895,1242 1.126,1243 1.906,1244 1.667,1245 1.629,1246 1.878,1247 1.861,1248 1.066,1249 1.863,1250 1.537,1251 1.489,1252 1.772,1253 1.742,1254 0.935,1255 1.745,1256 1.402,1257 1.363,1258 1.649,1259 1.732,1260 0.685,1261 1.675,1262 1.252,1263 1.215,1264 1.494,1265 1.515,1266 0.647,1267 1.496,1268 1.15,1269 1.11,1270 1.417,1271 1.494,1272 0.469,1273 1.476,1274 4.344,1276 5.666,1278 7.175,1280 8.774,1282 10.425,1284 4.767,1289 8.804,1290 1.427,1292 18.393,1294 -1.312,1296 -1.12,1300 41.136,1301 103.512,1302 255.598,1303 339.546,1304 364.665,1305 366.665,1306 366.665,1307 125.477,1308 7.626,1309 140.77,1310 140.77,1311 18,1312 12.722,1313 4.17,1314 3.585,1315 73.521,1316 169,1317 202,1318 0.209,1319 254.276,1320 465.4,1321 612.193,1322 20611,1324 26.294,1325 0.73,1326 0.568,1327 26.294,1328 20.456,1329 17.08,1330 0.449,1331 0.305,1332 11.404,1333 16.185,1334 11.071,1335 9.181,1336 17.08,1337 11.604,1338 16.042,1339 0.303,1340 0.172,1341 16.042,1342 9.109,1343 11.941,1344 0.184,1345 0.089,1346 11.941,1347 5.806,1348 9.432,1349 0.116,1350 0.048,1351 9.432,1352 3.926,1353 7.742,1354 0.074,1355 0.026,1356 7.742,1357 2.721,1358 0.329,1359 109.099,1360 0.203,1361 33.014,1362 0.57,1363 182,1364 663.589,1365 208.939,1366 613.559,1367 796.82,1368 566,1369 209,1370 558.053,1371 235.365,1372 550.504,1373 797.08,1374 513,1375 8} {0 CHEMBL163,1 1.615,2 16.9,3 5.512,4 30.377,5 198.799,6 7.358,7 0.415,8 4.647,9 4.771,10 4.233,11 4.191,12 5.719,13 4.131,14 5.199,15 5.382,16 4.585,17 4.575,18 6.242,19 4.484,20 5.475,21 5.689,22 4.585,23 4.703,24 6.459,25 4.585,26 5.657,27 5.907,28 4.61,29 4.729,30 6.668,31 4.619,32 5.618,33 5.834,34 4.734,35 4.746,36 6.818,37 4.667,38 5.7,39 5.924,40 4.769,41 4.84,42 6.802,43 4.751,44 5.803,45 6.034,46 4.786,47 4.939,48 6.845,49 4.828,50 5.886,51 6.132,52 4.876,53 5.008,54 6.912,55 4.888,56 0.05,57 1.428,58 22.419,59 9.665,60 18.901,61 12.464,62 0.649,63 2.286,64 44.644,65 15.898,66 65.711,67 21.325,68 0.6,69 2.778,70 59.715,71 20.718,72 92.043,73 27.729,74 1.018,75 3.085,76 77.246,77 22.499,78 140.503,79 30.576,80 1.328,81 2.991,82 67.65,83 21.197,84 203.457,85 28.796,86 1.01,87 3.28,88 75.625,89 23.758,90 170.743,91 32.135,92 1.078,93 3.548,94 81.122,95 27.42,96 170.241,97 37.09,98 1.096,99 3.853,100 92.733,101 30.579,102 178.2,103 40.98,104 86,105 71,106 0.236,107 0.568,108 0.765,109 0.821,110 0.838,111 0.844,112 3.934,113 1.051,114 -2.75,115 -2.77,116 -2.69,118 37.8,119 4,120 3,121 2,123 1,124 2,126 4,140 10,141 2,143 1,144 1,149 1,150 1,154 1,155 2,156 1,157 1,168 18,171 2,172 3,175 5,177 5,180 20,185 1,186 4,189 1,190 2,191 7,194 14,197 1,198 9,202 1,203 8,206 5,209 3,210 11,213 5,214 1,215 12,218 7,221 1,222 9,225 2,227 10,229 10,234 15,237 3,238 1,239 11,242 11,246 1,247 13,250 1,251 1,252 14,255 18,258 2,259 13,262 3,264 7,267 23,270 7188,271 33.067,272 33.067,273 33.067,274 33.067,275 33.067,276 29.96,277 36.717,278 19.887,279 33.963,280 26.164,281 26.164,282 26.164,283 26.164,284 26.164,285 21.494,286 41.552,287 9.524,288 27.596,289 4.999,290 2.726,291 1.38,292 0.993,293 0.875,294 0.834,295 4.619,301 1775,302 6.442,305 391.79,306 448.244,313 2.464,314 61.554,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 108,326 845,327 4.201,328 3.806,329 6.381,330 3.972,331 2.996,332 3.781,333 2.204,334 9.622,335 2.924,336 4.108,337 3.664,338 6.112,339 3.851,340 2.893,341 3.482,342 1.959,343 8.971,344 2.784,345 4.007,346 3.615,347 6.021,348 3.789,349 2.858,350 3.464,351 1.702,352 8.649,353 2.646,354 3.932,355 3.07,356 5.853,357 3.628,358 2.658,359 3.457,360 0.814,361 7.929,362 2.596,363 3.923,364 3.034,365 5.583,366 3.55,367 2.584,368 3.257,369 0.73,370 7.65,371 2.465,372 3.809,373 2.823,374 5.372,375 3.46,376 2.559,377 2.984,378 0.298,379 7.05,380 2.392,381 3.749,382 2.769,383 5.297,384 3.398,385 2.418,386 2.933,387 0.141,388 6.8,389 2.262,390 3.513,391 2.601,392 5.166,393 3.22,394 2.261,395 2.61,396 0.102,397 6.298,398 2.151,399 3.388,400 2.584,401 5.105,402 3.115,403 2.142,404 2.555,406 6.163,407 2.073,408 3.248,409 2.434,410 4.935,411 3.039,412 2.078,413 2.317,415 5.689,416 1.973,417 2.967,418 2.184,419 4.548,420 2.717,421 1.701,422 2.052,424 4.346,425 1.718,426 2.896,427 1.901,428 4.008,429 2.489,430 1.496,431 2.04,433 3.356,434 1.484,435 2.762,436 1.7,437 3.953,438 2.387,439 1.394,440 1.796,442 3.285,443 1.383,444 2.657,445 1.653,446 3.631,447 2.249,448 1.318,449 1.703,451 3.01,452 1.211,453 2.53,454 1.502,455 3.585,456 2.176,457 1.285,458 1.503,460 2.832,461 1.132,462 24.233,463 0.485,464 1.281,465 0.026,466 55.75,467 1.115,468 24.5,469 0.49,470 31.25,471 0.625,472 64.462,473 1.289,474 56.167,475 0.573,476 52.958,477 1.059,478 10.557,479 0.211,480 13.42,481 0.268,482 0.158,484 0.305,487 0.8,488 1.335,489 0.816,490 1.053,491 0.673,492 1.027,493 0.67,494 1.11,495 0.911,496 1.018,497 0.581,498 1.003,499 0.949,500 1.194,501 1.014,502 1.139,503 0.966,504 1.152,505 1.369,506 0.973,507 1.041,508 0.928,509 1.367,510 0.907,511 1.337,512 0.981,513 0.845,514 0.864,515 1.468,516 0.957,517 1.335,518 1.035,519 0.938,520 0.956,521 1.354,522 0.978,523 1.259,524 0.981,525 0.881,526 0.902,527 1.364,528 0.998,529 1.189,530 0.936,531 0.864,532 0.877,533 1.233,534 0.909,535 11,536 0.5,537 4.667,538 3.194,539 2.837,540 1.569,541 1.506,542 1.072,543 0.798,544 0.822,545 46699,546 125730,547 1.994,548 49,549 12,550 21,551 1,552 2,553 4,554 1,555 5,556 2,558 1.859,559 1.852,560 3.978,561 1.317,567 158.294,568 1.615,569 3.888,570 5.235,571 5.622,572 5.739,573 5.78,574 3.469,575 5.069,576 5.612,577 4.202,578 5147.61,579 10.031,580 108021,585 648.242,586 1.457,587 5.564,588 0.208,589 0.006,590 0.066,591 0.046,592 0.039,593 0.02,594 0.018,595 0.012,596 0.008,597 0.009,598 0.432,599 0.17,600 0.63,601 0.744,602 302.179,603 -0.052,604 -0.108,605 0.057,606 0.017,607 -0.062,608 0.014,609 0.211,610 0.027,611 0.054,612 0.019,613 0.095,614 0.004,615 -0.002,616 -0.146,617 -0.092,618 -0.166,619 -0.066,620 -0.163,621 -0.119,622 0.013,623 -0.05,624 -0.004,625 -0.106,626 0.032,627 0.083,628 0.007,629 0.012,630 -0.006,631 0.086,632 -0.031,633 -0.068,634 -0.037,635 -0.038,636 -0.054,638 -0.032,639 -0.066,640 -0.025,641 -0.038,642 -0.019,643 -0.081,644 -0.039,645 -0.06,646 0.01,647 0.045,648 0.042,649 -0.036,650 0.06,651 2.382,652 6.867,653 0.44,654 74.381,655 1,656 1.129,657 1.524,658 2.324,659 0.659,660 3.989,661 4.277,662 4.454,663 4.635,664 4.736,665 4.745,666 4.812,667 4.927,668 4.956,669 5.03,670 10.006,671 0.614,672 721.05,673 3.989,674 5.517,675 6.33,676 7.177,677 8.005,678 8.854,679 9.688,680 10.537,681 11.376,682 12.226,683 6.1,690 4,693 2,699 13,700 2,703 2,704 5,706 22,724 98,726 25,727 2,728 53,730 101,731 37,733 18,734 2,735 10,739 4,740 4,744 1,745 4,751 7,753 21,754 16,755 2,756 3,761 3,765 3,772 48,773 11,774 4,775 13,776 2,779 6,784 1,785 5,787 1,801 2,802 2,816 1,829 1,830 1,832 4,834 2,836 5,840 50,845 1,846 5,847 3,848 1,850 6,851 1,855 2,862 5.1,863 1,865 3,867 1,869 27,870 18.383,871 11.139,872 5.81,874 1.701,875 1.218,876 0.918,877 15.798,878 9.49,879 4.22,880 4.705,881 5.104,882 5.523,883 5.746,884 5.663,885 5.803,886 6.041,887 6.116,888 6.31,889 1,890 69,891 18.752,893 7.932,894 7.79,895 35.516,897 28.656,899 2.29,900 114.5,904 517.928,905 266.392,906 90.728,908 129.118,910 62.555,911 203.837,912 647.046,913 90.728,914 43.697,915 71.458,916 145.095,917 145.403,918 29.175,919 24.168,920 545.171,922 517.928,923 294.565,924 129.118,925 62.555,927 435.531,928 168.832,929 42.683,931 126.713,932 134.28,933 33.571,934 62.555,935 517.928,936 219.846,937 266.392,940 517.928,941 104.016,942 165.501,943 54.032,944 162.689,945 517.928,946 219.846,947 266.392,949 0.576,950 0.322,951 0.164,952 0.085,953 27,954 15,955 0.178,956 18,958 1,959 5.595,960 512.584,962 22,963 270.193,964 2,968 39.551,969 19.972,970 13.119,972 219.846,973 24.489,974 8.637,977 2.95,978 4.495,980 96.716,981 1004.17,982 67,987 40.027,991 -1.407,994 97.956,995 110.596,996 0.244,997 0.588,998 0.791,999 0.85,1000 0.868,1001 0.874,1002 5.449,1003 2.261,1004 6.301,1005 6.8,1006 4.963,1007 5.394,1008 3.148,1009 7.04,1010 4.866,1011 6.61,1012 2.142,1013 7.822,1014 6.298,1015 4.511,1016 4.987,1017 2.53,1018 7.786,1019 4.398,1020 7.872,1021 2.078,1022 9.438,1023 6.163,1024 6.497,1025 7.372,1026 4.2,1027 10.828,1028 6.313,1029 9.16,1030 1.701,1031 11.109,1032 5.689,1033 6.836,1034 7.743,1035 4.231,1036 12.368,1037 6.62,1038 10.476,1039 1.496,1040 12.815,1041 4.346,1042 8.284,1043 9.603,1044 5.484,1045 14.905,1046 8.019,1047 11.81,1048 1.394,1049 14.543,1050 3.356,1051 8.981,1052 10.342,1053 5.813,1054 16.789,1055 8.676,1056 13.157,1057 1.318,1058 16.289,1059 3.285,1060 10.207,1061 11.965,1062 6.868,1063 19.137,1064 9.865,1065 2.996,1066 1.285,1067 18.047,1068 3.01,1069 11.081,1070 12.907,1071 7.363,1072 21.189,1073 10.699,1074 2.893,1075 9.622,1076 19.815,1077 2.832,1078 12.209,1079 14.402,1080 8.31,1081 23.46,1082 11.794,1083 2.858,1084 8.971,1085 21.591,1086 3.781,1087 13.174,1088 15.465,1089 8.906,1090 25.597,1091 12.721,1092 2.658,1093 8.649,1094 23.374,1095 3.482,1096 14.26,1097 16.886,1098 9.789,1099 27.839,1100 13.777,1101 2.584,1102 7.929,1103 25.163,1104 3.464,1105 15.271,1106 18.028,1107 10.45,1108 30.021,1109 14.753,1110 2.559,1111 7.65,1112 26.956,1113 3.457,1114 16.341,1115 19.404,1116 11.294,1117 32.254,1118 15.794,1119 2.418,1120 7.05,1121 28.754,1122 3.257,1123 17.377,1124 20.597,1125 11.998,1126 34.461,1127 16.798,1128 45150,1129 74384,1130 34.501,1131 64.591,1132 79.358,1133 80.425,1134 79.864,1135 77.467,1136 77.785,1137 96.38,1138 15.898,1139 212.426,1140 73.881,1141 5.184,1142 5.806,1143 6.183,1144 5.097,1145 4.996,1146 6.781,1147 3.951,1148 16.185,1149 4.924,1150 30.093,1151 1.497,1152 1.517,1153 1.507,1154 1.462,1155 1.468,1156 1.818,1157 0.3,1158 4.008,1159 1.394,1160 4.003,1161 4.042,1162 4.232,1163 3.925,1164 7.437,1165 3.908,1166 3.908,1167 3.942,1168 4.202,1169 3.87,1170 7.431,1171 3.839,1172 3.902,1173 3.935,1174 3.899,1175 3.848,1176 7.424,1177 3.815,1178 3.826,1179 3.852,1180 3.831,1181 3.818,1182 6.449,1183 3.737,1184 3.805,1185 3.842,1186 3.739,1187 3.658,1188 4.872,1189 3.662,1190 3.705,1191 3.752,1192 3.619,1193 3.559,1194 4.816,1195 3.559,1196 3.588,1197 3.657,1198 3.501,1199 3.398,1200 4.759,1201 3.398,1202 3.514,1203 3.572,1204 3.411,1205 3.315,1206 4.74,1207 3.323,1208 0.079,1209 0.072,1210 0.12,1211 0.075,1212 0.057,1213 4.201,1214 0.071,1215 3.806,1216 0.042,1217 6.381,1218 0.182,1219 3.972,1220 0.055,1221 2.996,1222 3.781,1223 2.204,1224 9.622,1225 2.924,1226 1.942,1227 1.91,1228 2.081,1229 2.053,1230 1.378,1231 2.062,1232 1.918,1233 1.888,1234 2.049,1235 2.006,1236 1.248,1237 2.021,1238 1.776,1239 1.726,1240 1.978,1241 1.965,1242 1.218,1243 1.966,1244 1.692,1245 1.642,1246 1.918,1247 1.871,1248 1.147,1249 1.881,1250 1.685,1251 1.638,1252 1.879,1253 1.851,1254 1.051,1255 1.867,1256 1.609,1257 1.558,1258 1.798,1259 1.805,1260 0.993,1261 1.822,1262 1.537,1263 1.522,1264 1.686,1265 1.74,1266 0.903,1267 1.728,1268 1.443,1269 1.386,1270 1.632,1271 1.633,1272 0.877,1273 1.644,1274 4.673,1276 5.969,1277 3.045,1278 7.422,1279 5.209,1280 8.945,1281 7.125,1282 10.506,1284 9.579,1289 11.664,1290 1.287,1291 8.868,1292 5.425,1294 -3.028,1295 1.515,1300 60.139,1301 158.294,1302 381.072,1303 512.983,1304 550.957,1305 562.467,1306 566.467,1307 173.607,1308 7.789,1309 145.78,1310 202.26,1311 22,1312 12.786,1313 4.7,1314 3.907,1315 103.789,1316 287,1317 342,1318 0.161,1319 381.066,1320 668.27,1321 921.561,1322 26481,1324 36.045,1325 0.721,1326 0.618,1327 36.752,1328 30.877,1329 23.977,1330 0.452,1331 0.35,1332 16.751,1333 22.234,1334 16.007,1335 13.426,1336 24.886,1337 18.568,1338 21.617,1339 0.304,1340 0.21,1341 22.778,1342 14.902,1343 16.647,1344 0.196,1345 0.119,1346 18.074,1347 10.077,1348 12.982,1349 0.127,1350 0.066,1351 14.232,1352 6.718,1353 9.473,1354 0.084,1355 0.037,1356 10.21,1357 4.138,1358 0.256,1359 158.956,1360 0.17,1361 43.078,1362 0.435,1363 248,1364 726.747,1365 318.149,1366 738.49,1367 979.99,1368 688,1369 280,1370 658.746,1371 341.476,1372 697.882,1373 1004.05,1374 650,1375 7.119} {0 CHEMBL163278,1 1.539,2 12.613,3 3.864,4 14.93,5 113.844,6 7.28,7 0.364,8 4.16,9 4.261,10 3.688,11 3.655,12 5.283,13 3.642,14 4.722,15 4.871,16 4.054,17 4.02,18 5.889,19 3.994,20 5.027,21 5.207,22 4.115,23 4.167,24 6.105,25 4.115,26 5.135,27 5.362,28 4.039,29 4.189,30 6.091,31 4.114,32 5.037,33 5.23,34 4.089,35 4.268,36 6.025,37 4.172,38 5.232,39 5.489,40 4.072,41 4.314,42 6.087,43 4.192,44 5.148,45 5.38,46 4.029,47 4.244,48 6.111,49 4.134,50 5.116,51 5.378,52 3.931,53 4.155,54 6.16,55 4.038,56 0.078,57 0.831,58 12.456,59 6.06,60 16.324,61 7.355,62 0.465,63 1.314,64 24.341,65 9.727,66 62.885,67 12.196,68 0.813,69 1.648,70 35.38,71 12.538,72 87.339,73 15.764,74 0.996,75 1.681,76 41.81,77 13.438,78 102.189,79 17.556,80 0.523,81 1.675,82 34.177,83 13.624,84 65.905,85 18.173,86 0.727,87 1.892,88 44.879,89 15.6,90 88.271,91 21.964,92 0.712,93 1.833,94 40.775,95 14.437,96 85.819,97 19.491,98 1.059,99 1.835,100 41.578,101 13.479,102 126.668,103 18.407,104 32,105 45,106 0.252,107 0.6,108 0.795,109 0.864,110 0.87,111 0.87,112 3.472,113 0.939,114 -4.16,115 -4.11,116 -3.88,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 10,175 1,177 1,180 9,181 1,185 2,186 11,191 1,194 7,195 1,197 1,198 6,203 1,206 9,207 1,210 11,215 1,218 12,219 1,221 1,222 11,227 1,229 7,230 1,233 1,234 8,239 1,242 11,247 2,248 2,255 12,256 1,258 2,259 5,262 2,264 1,267 11,268 1,270 1906,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 18.538,277 22.374,278 12.406,279 20.85,280 16.32,281 16.32,282 16.32,283 16.32,284 16.32,285 13.55,286 26.269,287 5.962,288 16.936,289 4.343,290 2.22,291 1.026,292 0.602,293 0.568,294 0.568,295 4.152,299 1,300 1,301 813,302 4.243,306 338.259,313 2.092,314 41.558,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 69,326 391,327 4.427,328 3.802,329 7.315,330 4.361,331 3.407,332 3.662,333 2.341,334 12.546,335 3.242,336 4.142,337 3.597,338 6.5,339 3.953,340 2.984,341 3.583,342 1.465,343 10.191,344 2.889,345 3.956,346 3.333,347 5.443,348 3.522,349 2.564,350 3.324,351 0.86,352 7.13,353 2.444,354 3.567,355 2.934,356 5.246,357 3.257,358 2.266,359 2.736,360 0.811,361 6.405,362 2.237,363 3.516,364 2.648,365 4.965,366 3.218,367 2.223,368 2.698,370 5.743,371 2.193,372 3.363,373 2.402,374 4.679,375 2.969,376 2.045,377 2.61,379 5.183,380 1.867,381 3.115,382 2.194,383 4.658,384 2.692,385 1.718,386 2.201,388 4.841,389 1.664,390 2.85,391 1.936,392 4.127,393 2.513,394 1.557,395 1.929,397 3.652,398 1.486,399 2.604,400 1.861,401 3.637,402 2.438,403 1.457,404 1.596,406 3.137,407 1.419,408 2.5,409 1.404,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.218,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1,428 3.263,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.247,438 1.773,439 0.779,440 0.833,442 1.672,443 0.769,444 1.38,445 0.758,446 3.012,447 1.065,448 0.162,449 0.187,451 0.389,452 0.141,453 1.264,454 0.703,455 2.687,456 0.998,457 0.048,458 0.055,460 0.112,461 0.045,462 14.352,463 0.463,464 0.824,465 0.027,466 34.25,467 1.105,468 15,469 0.484,470 19.25,471 0.621,472 31.453,473 1.015,474 35.448,475 0.601,476 27.614,477 0.891,478 6.851,479 0.221,480 7.997,481 0.258,482 0.136,483 0.035,484 0.244,486 1,487 0.752,488 1.17,489 0.794,490 1.217,491 0.68,492 1.056,493 0.868,494 1.092,495 0.887,496 1.141,497 0.546,498 1.042,499 1.198,500 1.076,501 1.124,502 1.127,503 0.938,504 1.114,505 1.288,506 0.699,507 1.052,508 0.758,509 0.808,510 0.833,511 0.666,512 1.03,513 1.019,514 1.257,515 0.426,516 1.237,517 0.691,518 0.784,519 0.868,520 0.935,521 0.434,522 0.944,523 0.899,524 0.997,525 1.018,526 1.058,527 0.686,528 1.073,529 0.959,530 0.891,531 1.006,532 0.841,533 1.061,534 0.905,535 7,536 0.21,537 3.556,538 1.875,539 1.667,540 1.174,541 0.708,542 0.53,543 0.381,544 0.201,545 12491,546 39135,547 2.004,548 47.5,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.74,559 1.869,560 3.586,561 -0.361,563 1,567 90.821,568 1.539,569 3.663,570 4.857,571 5.281,572 5.315,573 5.315,574 3.106,575 4.374,576 4.914,577 3.782,578 1758.84,579 8.614,580 25565.2,582 1,584 1,585 347.076,586 1.525,587 4.873,588 0.212,589 0.007,590 0.079,591 0.042,592 0.039,593 0.026,594 0.016,595 0.013,596 0.01,597 0.006,598 0.45,599 0.33,600 1,601 1.543,602 162.053,603 -0.039,604 -0.084,605 0.038,606 -0.059,607 -0.066,608 -0.004,609 0.065,610 -0.096,611 0.032,612 -0.083,613 0.124,614 -0.042,615 -0.069,616 -0.106,617 -0.141,618 -0.125,619 -0.08,620 -0.147,621 -0.18,622 0.151,623 -0.038,624 0.187,625 -0.083,626 0.124,627 0.026,628 -0.148,629 -0.126,630 -0.216,631 0.044,632 -0.212,633 0.002,634 0.009,635 0.075,636 0.027,637 0.024,638 0.062,639 -0.059,640 -0.118,641 -0.062,642 -0.076,643 -0.035,644 -0.076,645 0.015,646 0.196,647 0.002,648 0.117,649 -0.046,650 0.076,651 2.478,652 5.2,653 0.581,654 37.95,655 1.011,656 1.13,657 2.933,658 8.604,659 0.642,660 3.526,661 3.829,662 4.007,663 4.22,664 4.466,665 4.511,666 4.644,667 4.7,668 4.736,669 4.771,670 7.363,671 0.616,672 429.53,673 3.526,674 5.056,675 5.872,676 6.737,677 7.58,678 8.454,679 9.312,680 10.193,681 11.06,682 11.945,683 1.7,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 59,726 14,727 1,728 33,730 61,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,770 1,772 28,773 7,774 1,775 7,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 31,845 1,846 4,848 3,850 3,852 1,861 1,862 8.5,864 1,865 1,866 2,867 1,869 16.583,870 10.793,871 6.847,872 3.469,874 1.821,875 1.25,876 0.905,877 8.052,878 9.091,879 3.738,880 4.22,881 4.585,882 5.014,883 5.487,884 5.421,885 5.654,886 5.882,887 6.012,888 6.224,889 0.889,890 45,891 11.533,893 4.891,894 7.965,895 21.663,897 17.531,899 2.465,900 76.417,903 1,904 317.82,905 142.571,906 16.786,908 100.828,909 14.96,911 142.571,912 418.648,913 31.746,914 17.65,915 12.196,916 76.17,917 131.066,918 46.645,919 26.731,920 282.506,922 317.82,923 159.356,924 115.788,927 250.382,928 161.226,929 22,930 0.36,931 47.941,932 75.317,933 35.738,935 332.78,936 117.613,937 142.571,940 318.179,941 30.656,942 111.555,944 132.574,945 317.82,946 132.574,947 142.571,949 0.576,950 0.31,951 0.157,952 0.092,953 19,954 9,955 0.148,956 9,958 1,959 4.195,960 265.964,962 18,963 147.58,968 23.239,969 10.741,970 6.779,972 132.574,973 13.16,974 4.216,978 1.142,980 42.683,981 592.964,982 41,987 10.668,989 3.853,991 -0.812,994 59.621,995 66.698,996 0.262,997 0.623,998 0.826,999 0.898,1000 0.903,1001 0.903,1002 4.977,1003 1.557,1004 5.872,1005 4.841,1006 4.511,1007 4.905,1008 2.812,1009 6.678,1010 4.433,1011 6.152,1012 1.457,1013 7.434,1014 3.652,1015 4.205,1016 4.559,1017 2.243,1018 7.84,1019 4.077,1020 7.436,1021 1,1022 9.117,1023 3.137,1024 6.138,1025 6.887,1026 3.888,1027 10.866,1028 5.979,1029 8.75,1030 1,1031 10.878,1032 2.477,1033 6.661,1034 7.256,1035 4.112,1036 12.907,1037 6.444,1038 10.095,1039 1,1040 12.695,1041 2.275,1042 8.113,1043 9.13,1044 5.312,1045 15.553,1046 7.864,1047 11.462,1048 0.779,1049 14.551,1050 2.136,1051 9.014,1052 9.839,1053 5.889,1054 17.902,1055 8.705,1056 12.846,1057 0.162,1058 16.436,1059 1.672,1060 10.293,1061 11.503,1062 6.893,1063 20.448,1064 9.946,1065 3.407,1066 0.048,1067 18.343,1068 0.389,1069 11.367,1070 12.404,1071 7.625,1072 22.903,1073 10.961,1074 2.984,1075 12.546,1076 20.267,1077 0.112,1078 12.588,1079 13.946,1080 8.544,1081 25.424,1082 12.138,1083 2.564,1084 10.191,1085 22.203,1086 3.662,1087 13.737,1088 14.969,1089 9.342,1090 27.919,1091 13.232,1092 2.266,1093 7.13,1094 24.149,1095 3.583,1096 14.944,1097 16.431,1098 10.223,1099 30.436,1100 14.391,1101 2.223,1102 6.405,1103 26.102,1104 3.324,1105 16.127,1106 17.535,1107 11.051,1108 32.947,1109 15.52,1110 2.045,1111 5.743,1112 28.062,1113 2.736,1114 17.333,1115 18.943,1116 11.915,1117 35.466,1118 16.676,1119 1.718,1120 5.183,1121 30.026,1122 2.698,1123 18.532,1124 20.102,1125 12.755,1126 37.984,1127 17.822,1128 12376,1129 22009,1130 21.553,1131 37.875,1132 49.272,1133 50.078,1134 49.612,1135 48.439,1136 48.423,1137 59.098,1138 10.954,1139 135.781,1140 46.513,1141 5.427,1142 5.802,1143 7.117,1144 5.434,1145 5.407,1146 6.662,1147 3.925,1148 19.977,1149 5.242,1150 16.833,1151 1.493,1152 1.518,1153 1.503,1154 1.468,1155 1.467,1156 1.791,1157 0.332,1158 4.115,1159 1.409,1160 3.986,1161 4.012,1162 3.919,1163 3.865,1164 8.201,1165 3.872,1166 3.891,1167 3.917,1168 3.836,1169 3.801,1170 7.474,1171 3.805,1172 3.759,1173 3.803,1174 3.663,1175 3.645,1176 6.351,1177 3.64,1178 3.696,1179 3.731,1180 3.596,1181 3.534,1182 4.946,1183 3.542,1184 3.554,1185 3.601,1186 3.436,1187 3.399,1188 4.838,1189 3.396,1190 3.325,1191 3.354,1192 3.216,1193 3.111,1194 4.685,1195 3.129,1196 2.968,1197 3.016,1198 2.873,1199 2.795,1200 4.377,1201 2.791,1202 2.954,1203 3.009,1204 2.826,1205 2.735,1206 4.251,1207 2.736,1208 0.134,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.427,1214 0.111,1215 3.802,1216 0.071,1217 7.315,1218 0.38,1219 4.361,1220 0.098,1221 3.407,1222 3.662,1223 2.341,1224 12.546,1225 3.242,1226 1.909,1227 1.882,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.866,1233 1.843,1234 1.977,1235 1.98,1236 1.148,1237 1.979,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.109,1243 1.906,1244 1.658,1245 1.62,1246 1.867,1247 1.843,1248 1.002,1249 1.848,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.741,1256 1.252,1257 1.216,1258 1.494,1259 1.506,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.821,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.205,1276 5.509,1278 7.002,1280 8.584,1282 10.216,1284 3.737,1286 13.2,1289 8.766,1290 1.731,1292 18.43,1294 -0.856,1296 -0.819,1300 36.354,1301 90.821,1302 216.105,1303 286.547,1304 311.566,1305 313.566,1306 313.566,1307 81.797,1308 7.27,1309 77.88,1310 77.88,1311 18,1312 12.482,1313 3.907,1314 3.17,1315 58.015,1316 130,1317 158,1318 0.21,1319 223.361,1320 404.78,1321 536.761,1322 13176,1323 1.7,1324 22.269,1325 0.718,1326 0.572,1327 21.399,1328 17.739,1329 14.848,1330 0.45,1331 0.313,1332 10.166,1333 14.153,1334 9.9,1335 8.194,1336 14.454,1337 10.333,1338 13.682,1339 0.304,1340 0.179,1341 13.061,1342 8.067,1343 10.215,1344 0.189,1345 0.094,1346 9.805,1347 5.066,1348 8.056,1349 0.12,1350 0.052,1351 7.914,1352 3.483,1353 6.683,1354 0.078,1355 0.028,1356 6.388,1357 2.393,1358 0.33,1359 94.096,1360 0.215,1361 29.357,1362 0.574,1363 156,1364 554.848,1365 178.49,1366 491.317,1367 642.53,1368 458,1369 177,1370 445.385,1371 198.241,1372 438.046,1373 637.18,1374 410,1375 7.292} {0 CHEMBL164123,1 1.635,2 19.529,3 7.542,4 56.877,5 204.059,6 7.938,7 0.491,8 4.609,9 4.72,10 4.264,11 4.195,12 5.683,13 4.156,14 5.162,15 5.333,16 4.652,17 4.6,18 6.176,19 4.539,20 5.411,21 5.608,22 4.792,23 4.776,24 6.389,25 4.694,26 5.488,27 5.683,28 4.881,29 4.843,30 6.497,31 4.75,32 5.505,33 5.687,34 4.83,35 4.885,36 6.489,37 4.787,38 5.595,39 5.789,40 4.902,41 4.967,42 6.551,43 4.836,44 5.654,45 5.894,46 4.719,47 4.914,48 6.522,49 4.755,50 5.579,51 5.843,52 4.505,53 4.748,54 6.398,55 4.585,56 0.085,57 1.34,58 17.718,59 8.522,60 15.291,61 10.785,62 0.406,63 2.229,64 37.073,65 14.465,66 40.896,67 18.645,68 0.54,69 2.783,70 53.766,71 18.988,72 58.888,73 24.11,74 0.637,75 3.019,76 60.892,77 20.518,78 74.014,79 25.924,80 0.65,81 3.032,82 62.207,83 22.232,84 70.217,85 26.893,86 0.728,87 3.244,88 68.94,89 24.915,90 74.952,91 31.61,92 0.722,93 3.357,94 75.752,95 26.402,96 81.284,97 35.404,98 0.708,99 2.996,100 71.683,101 23.968,102 75.108,103 32.909,104 35,105 80,106 0.239,107 0.568,108 0.786,109 0.875,110 0.888,111 0.888,112 3.954,113 0.978,114 -6.9,115 -6.7,116 -6.21,118 42.9,119 3,120 4,124 5,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 16,171 3,172 17,180 19,185 2,186 20,194 13,197 2,198 27,206 18,209 2,210 14,218 23,221 3,222 11,229 29,233 5,234 11,242 20,246 1,247 14,255 15,258 1,259 16,267 11,270 6433,271 35.128,272 35.128,273 35.128,274 35.128,275 35.128,276 31.221,277 39.028,278 21.001,279 36.103,280 28.162,281 28.162,282 28.162,283 28.162,284 28.162,285 22.164,286 50.802,287 9.955,288 29.701,289 4.873,290 2.625,291 1.137,292 0.53,293 0.442,294 0.442,295 4.672,297 1,301 2201,302 4.743,305 200.795,306 605.459,307 148.755,309 169.136,310 418.311,313 3.107,314 40.756,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.47,325 108.833,326 996,327 4.777,328 3.999,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.38,337 3.681,338 6.687,339 4.003,340 3.021,341 4.001,342 2.373,343 10.738,344 2.974,345 4.361,346 3.625,347 6.5,348 3.957,349 3.011,350 3.969,351 0.995,352 10.18,353 2.832,354 4.232,355 3.244,356 6.359,357 3.834,358 2.891,359 3.837,360 0.795,361 9.645,362 2.713,363 3.933,364 3.206,365 5.771,366 3.58,367 2.613,368 3.477,369 0.359,370 7.891,371 2.536,372 3.663,373 2.98,374 5.632,375 3.35,376 2.373,377 2.983,378 0.286,379 7.345,380 2.297,381 3.655,382 2.873,383 5.487,384 3.296,385 2.344,386 2.93,388 6.988,389 2.227,390 3.59,391 2.737,392 5.232,393 3.263,394 2.322,395 2.825,397 6.342,398 2.169,399 3.471,400 2.541,401 5.029,402 3.082,403 2.112,404 2.68,406 6.066,407 2.041,408 3.208,409 2.287,410 4.977,411 2.842,412 1.91,413 2.379,415 5.625,416 1.769,417 3.112,418 2.112,419 4.942,420 2.721,421 1.788,422 2.28,424 5.291,425 1.665,426 2.97,427 2.007,428 4.632,429 2.682,430 1.749,431 2.083,433 4.488,434 1.609,435 2.87,436 1.871,437 4.184,438 2.481,439 1.54,440 2.024,442 3.883,443 1.453,444 2.836,445 1.829,446 4.152,447 2.465,448 1.501,449 1.935,451 3.378,452 1.421,453 2.794,454 1.745,455 3.908,456 2.35,457 1.414,458 1.834,460 3.329,461 1.258,462 24.848,463 0.487,464 1.11,465 0.022,466 63.75,467 1.25,468 30.5,469 0.598,470 33.25,471 0.652,472 59.118,473 1.159,474 53.752,475 0.591,476 55.609,477 1.09,478 12.255,479 0.24,480 12.651,481 0.248,482 0.103,484 0.334,487 0.656,488 1.24,489 0.672,490 0.995,491 0.575,492 0.936,493 0.896,494 1.078,495 0.75,496 0.877,497 0.638,498 0.861,499 1.14,500 1.036,501 0.947,502 0.908,503 0.966,504 0.876,505 1.14,506 1.079,507 1.052,508 1.019,509 1.115,510 0.947,511 1.247,512 1.059,513 1.219,514 1.106,515 1.178,516 1.016,517 0.816,518 1.131,519 1.106,520 1.145,521 0.792,522 1.156,523 0.659,524 1.038,525 1.152,526 1.131,527 0.603,528 1.137,529 0.741,530 1.001,531 1.021,532 1.029,533 0.618,534 1.048,535 8,536 0.357,537 5.333,538 3.917,539 2.844,540 2.011,541 1.445,542 0.856,543 0.557,544 0.416,545 56485,546 150456,547 2.139,548 44,549 2,550 21,552 2,554 5,555 10,558 1.855,559 2.026,560 4.107,561 -0.761,567 148.795,568 1.635,569 3.883,570 5.371,571 5.977,572 6.065,573 6.065,574 3.58,575 5.437,576 5.639,577 4.396,578 5605.23,579 10.027,580 120468,585 592.209,586 1.32,587 5.615,588 0.14,589 0.005,590 0.067,591 0.044,592 0.031,593 0.022,594 0.016,595 0.011,596 0.009,597 0.007,598 0.352,599 0.17,600 0.5,601 1.441,602 312.749,603 0.099,604 -0.103,605 0.064,606 -0.027,607 0.041,608 -0.003,609 0.051,610 0.011,611 0.1,612 0.091,613 0.08,614 0.082,615 -0.104,616 0.031,617 0.039,618 0.097,619 -0.056,620 0.082,621 -0.081,623 0.018,624 0.028,625 -0.053,626 0.015,627 -0.167,628 0.015,629 -0.151,630 -0.019,631 -0.154,632 -0.045,633 0.035,634 -0.1,635 -0.066,636 -0.096,637 -0.039,638 -0.161,639 0.054,640 -0.051,641 -0.091,642 -0.114,643 0.014,644 -0.117,645 0.032,646 -0.06,647 -0.017,648 -0.052,649 0.01,650 -0.024,651 1.848,652 4.625,653 0.686,654 83.081,655 1.001,656 1.121,657 5.666,658 32.103,659 0.691,660 4.06,661 4.394,662 4.718,663 5.05,664 5.328,665 5.537,666 5.787,667 6.019,668 6.196,669 6.342,670 11.092,671 0.651,672 722.38,673 4.06,674 5.617,675 6.488,676 7.385,677 8.28,678 9.191,679 10.102,680 11.023,681 11.943,682 12.871,683 7.7,686 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 91,726 31,727 2,728 57,730 97,731 39,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 5,753 26,754 13,756 3,761 1,764 2,765 3,772 40,773 9,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,819 1,828 1,832 4,834 1,836 3,837 1,840 51,846 9,848 2,850 1,851 1,856 1,859 1,861 1,862 3.3,865 1,867 2,869 25.167,870 17.543,871 11.25,872 5.903,874 5.33,875 1.528,876 0.995,877 11.147,878 15.415,879 4.317,880 4.913,881 5.523,882 6.137,883 6.651,884 7.032,885 7.513,886 7.956,887 8.359,888 8.711,889 0.923,890 89,891 18.867,893 8.016,894 7.6,895 36.645,897 30.515,899 2.1,900 107.111,904 470.844,905 238.513,906 91.32,907 39.149,908 47.364,910 31.278,911 207.236,912 557.356,913 91.32,914 26.476,915 25.64,916 94.762,917 116.159,918 105.066,919 1.358,920 478.58,921 39.149,922 470.844,923 298.556,924 47.364,925 70.426,927 353.133,928 165.075,931 117.005,932 131.44,933 89.26,934 31.278,935 470.844,936 138.684,937 277.662,940 470.844,941 99.18,942 144.356,944 172.809,945 470.844,946 138.684,947 277.662,949 0.576,950 0.341,951 0.194,952 0.106,953 38,954 17,955 0.134,956 13,957 3,958 1.171,959 5.785,960 576.703,961 0.171,962 35,963 283.294,964 1,968 35.343,969 16.085,970 7.754,972 136.785,973 23.886,974 13.271,977 1.812,978 11.333,979 2.189,981 887.19,982 74,987 11.625,990 9.726,991 1.47,994 91.116,995 102.039,996 0.251,997 0.597,998 0.825,999 0.919,1000 0.932,1001 0.932,1002 5.568,1003 2.322,1004 6.469,1005 6.988,1006 5.081,1007 5.602,1008 3.243,1009 7.317,1010 4.98,1011 6.77,1012 2.112,1013 8.043,1014 6.342,1015 4.635,1016 5.352,1017 2.283,1018 8.296,1019 4.475,1020 8.08,1021 1.91,1022 9.723,1023 6.066,1024 6.696,1025 7.781,1026 4.721,1027 11.468,1028 6.505,1029 9.429,1030 1.788,1031 11.469,1032 5.625,1033 7.124,1034 8.414,1035 4.278,1036 13.344,1037 6.871,1038 10.815,1039 1.749,1040 13.259,1041 5.291,1042 8.625,1043 10.279,1044 6.398,1045 16.039,1046 8.341,1047 12.228,1048 1.54,1049 15.081,1050 4.488,1051 9.46,1052 11.331,1053 6.16,1054 18.281,1055 9.113,1056 13.663,1057 1.501,1058 16.925,1059 3.883,1060 10.749,1061 12.963,1062 8.121,1063 20.832,1064 10.365,1065 3.434,1066 1.414,1067 18.787,1068 3.378,1069 11.776,1070 14.223,1071 7.993,1072 23.227,1073 11.33,1074 3.021,1075 12.682,1076 20.664,1077 3.329,1078 12.989,1079 15.756,1080 9.86,1081 25.74,1082 12.5,1083 3.011,1084 10.738,1085 22.552,1086 4.517,1087 14.106,1088 17.121,1089 9.802,1090 28.202,1091 13.556,1092 2.891,1093 10.18,1094 24.45,1095 4.001,1096 15.298,1097 18.614,1098 11.606,1099 30.711,1100 14.699,1101 2.613,1102 9.645,1103 26.356,1104 3.969,1105 16.458,1106 20.033,1107 11.599,1108 33.205,1109 15.8,1110 2.373,1111 7.891,1112 28.268,1113 3.837,1114 17.65,1115 21.513,1116 13.355,1117 35.719,1118 16.938,1119 2.344,1120 7.345,1121 30.186,1122 3.477,1123 18.833,1124 22.961,1125 13.391,1126 38.23,1127 18.062,1128 52518,1129 85888,1130 38.778,1131 62.853,1132 86.5,1133 88.775,1134 88.428,1135 85.515,1136 85.289,1137 109.867,1138 14.501,1139 247.396,1140 80.792,1141 5.724,1142 5.999,1143 7.017,1144 5.542,1145 5.434,1146 7.517,1147 4.816,1148 20.396,1149 5.245,1150 23.846,1151 1.518,1152 1.557,1153 1.551,1154 1.5,1155 1.496,1156 1.927,1157 0.254,1158 4.34,1159 1.417,1160 4.136,1161 4.168,1162 4.33,1163 4.087,1164 7.432,1165 4.058,1166 3.983,1167 4.014,1168 3.999,1169 3.915,1170 5.102,1171 3.913,1172 3.873,1173 3.9,1174 3.941,1175 3.828,1176 5.006,1177 3.81,1178 3.841,1179 3.892,1180 3.819,1181 3.722,1182 4.939,1183 3.726,1184 3.772,1185 3.812,1186 3.743,1187 3.631,1188 4.8,1189 3.65,1190 3.746,1191 3.788,1192 3.629,1193 3.578,1194 4.668,1195 3.577,1196 3.527,1197 3.579,1198 3.447,1199 3.304,1200 4.608,1201 3.309,1202 3.451,1203 3.523,1204 3.384,1205 3.279,1206 4.467,1207 3.28,1208 0.084,1209 0.07,1210 0.126,1211 0.077,1212 0.06,1213 4.777,1214 0.079,1215 3.999,1216 0.043,1217 7.189,1218 0.222,1219 4.376,1220 0.057,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.966,1227 1.939,1228 2.067,1229 2.061,1230 1.325,1231 2.065,1232 1.921,1233 1.901,1234 2.001,1235 1.997,1236 1.279,1237 2.003,1238 1.819,1239 1.78,1240 1.955,1241 1.951,1242 1.165,1243 1.956,1244 1.75,1245 1.715,1246 1.94,1247 1.906,1248 1.1,1249 1.918,1250 1.711,1251 1.662,1252 1.887,1253 1.863,1254 1.04,1255 1.875,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.963,1261 1.846,1262 1.545,1263 1.498,1264 1.8,1265 1.741,1266 0.94,1267 1.758,1268 1.483,1269 1.42,1270 1.722,1271 1.726,1272 0.864,1273 1.732,1274 4.745,1276 6.075,1277 3.045,1278 7.597,1279 5.533,1280 9.212,1281 7.751,1282 10.882,1284 5.891,1285 6.78,1290 6.063,1292 10.727,1294 -0.158,1295 2.498,1300 59.264,1301 148.795,1302 353.365,1303 488.725,1304 543.945,1305 551.945,1306 551.945,1307 90.235,1308 10.085,1309 107.09,1310 135.33,1311 41,1312 13.376,1313 5,1314 4.17,1315 75.524,1316 345,1317 432,1318 0.106,1319 365.292,1320 637.09,1321 883.073,1322 450535,1323 1.1,1324 35.321,1325 0.693,1326 0.6,1327 36.175,1328 30.583,1329 24.906,1330 0.437,1331 0.326,1332 17.277,1333 23.304,1334 16.715,1335 13.8,1336 25.603,1337 18.578,1338 22.142,1339 0.277,1340 0.177,1341 23.129,1342 14.184,1343 19.096,1344 0.172,1345 0.096,1346 20.249,1347 10.66,1348 16.723,1349 0.108,1350 0.054,1351 18.133,1352 8.305,1353 13.815,1354 0.067,1355 0.03,1356 15.141,1357 6.116,1358 0.172,1359 162.564,1360 0.161,1361 44.063,1362 0.275,1363 274,1364 769.786,1365 338.321,1366 793.791,1367 1096.39,1368 748,1369 328,1370 790.279,1371 389.031,1372 819.284,1373 1207.62,1374 774,1375 7.097} {0 CHEMBL164665,1 1.665,2 17.245,3 6.942,4 48.19,5 194.542,6 8.168,7 0.509,8 4.549,9 4.657,10 4.226,11 4.146,12 5.659,13 4.111,14 5.09,15 5.253,16 4.623,17 4.56,18 6.163,19 4.502,20 5.356,21 5.547,22 4.761,23 4.741,24 6.357,25 4.659,26 5.447,27 5.647,28 4.856,29 4.807,30 6.444,31 4.715,32 5.443,33 5.616,34 4.825,35 4.852,36 6.445,37 4.761,38 5.557,39 5.743,40 4.916,41 4.945,42 6.558,43 4.826,44 5.623,45 5.846,46 4.747,47 4.915,48 6.537,49 4.768,50 5.589,51 5.851,52 4.556,53 4.781,54 6.423,55 4.622,56 0.118,57 1.261,58 15.742,59 7.799,60 16.049,61 9.635,62 0.382,63 2.111,64 32.571,65 13.277,66 48.97,67 16.887,68 0.527,69 2.673,70 49.176,71 17.885,72 60.948,73 22.338,74 0.658,75 2.919,76 58.064,77 19.756,78 68.967,79 24.709,80 0.605,81 2.9,82 56.672,83 20.806,84 60.226,85 24.61,86 0.795,87 3.169,88 64.346,89 23.348,90 79.494,91 28.934,92 0.801,93 3.297,94 71.16,95 25.289,96 84.824,97 33.07,98 0.736,99 3.113,100 70.804,101 23.823,102 78.639,103 32.608,104 33,105 78,106 0.246,107 0.593,108 0.802,109 0.888,110 0.904,111 0.904,112 3.915,113 0.96,114 -6.55,115 -6.38,116 -5.91,118 43.5,119 2,120 4,124 4,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,163 1,167 1,168 16,169 1,171 2,172 15,175 1,177 1,180 19,181 1,185 2,186 19,191 1,194 13,195 1,197 2,198 25,203 1,206 17,209 2,210 14,211 1,218 22,221 3,222 12,223 1,225 1,229 28,233 4,234 11,237 1,242 20,246 1,247 14,255 16,256 2,259 15,264 2,267 13,268 3,270 5554,271 33.551,272 33.551,273 33.551,274 33.551,275 33.551,276 29.591,277 36.937,278 19.973,279 34.337,280 27.23,281 27.23,282 27.23,283 27.23,284 27.23,285 21.202,286 49.186,287 9.567,288 28.582,289 4.744,290 2.403,291 0.991,292 0.412,293 0.3,294 0.3,295 4.634,297 1,301 1869,302 4.528,305 176.957,306 545.643,307 131.101,309 147.414,310 368.967,313 2.617,314 41.487,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.44,325 104.833,326 845,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.373,334 12.682,335 3.245,336 4.392,337 3.625,338 6.687,339 4.017,340 3.032,341 4.001,342 2.341,343 10.738,344 2.988,345 4.361,346 3.596,347 6.508,348 3.957,349 3.012,350 3.986,351 0.995,352 10.225,353 2.832,354 4.232,355 3.245,356 6.358,357 3.833,358 2.89,359 3.837,360 0.795,361 9.645,362 2.711,363 3.934,364 3.207,365 5.772,366 3.575,367 2.607,368 3.48,369 0.359,370 7.921,371 2.531,372 3.661,373 3.005,374 5.639,375 3.298,376 2.346,377 2.976,379 7.383,380 2.224,381 3.569,382 2.852,383 5.519,384 3.263,385 2.324,386 2.866,388 7.054,389 2.22,390 3.55,391 2.737,392 5.221,393 3.24,394 2.235,395 2.71,397 6.305,398 2.166,399 3.45,400 2.539,401 4.977,402 3.042,403 2.076,404 2.678,406 5.455,407 2,408 3.21,409 2.288,410 4.89,411 2.835,412 1.9,413 2.38,415 5.289,416 1.766,417 3.11,418 2.077,419 4.659,420 2.705,421 1.782,422 2.275,424 5.184,425 1.642,426 2.938,427 1.996,428 4.631,429 2.665,430 1.716,431 2.059,433 4.487,434 1.605,435 2.869,436 1.87,437 4.184,438 2.479,439 1.54,440 2.02,442 3.823,443 1.441,444 2.836,445 1.746,446 4.126,447 2.449,448 1.478,449 1.934,451 3.378,452 1.418,453 2.789,454 1.639,455 3.908,456 2.35,457 1.414,458 1.831,460 3.267,461 1.258,462 23.848,463 0.487,464 1.148,465 0.023,466 62.5,467 1.276,468 30.5,469 0.622,470 32,471 0.653,472 55.798,473 1.139,474 51.152,475 0.602,476 54.774,477 1.118,478 12.074,479 0.246,480 11.795,481 0.241,482 0.1,484 0.348,487 0.683,488 1.191,489 0.661,490 0.937,491 0.658,492 0.893,493 0.759,494 1.089,495 0.734,496 0.883,497 0.497,498 0.867,499 1.031,500 1.063,501 0.958,502 0.942,503 0.896,504 0.915,505 1.015,506 1.038,507 1.013,508 0.983,509 0.8,510 0.908,511 1.132,512 1.101,513 1.209,514 1.138,515 0.85,516 1.028,517 0.835,518 1.091,519 1.106,520 1.121,521 0.733,522 1.141,523 0.732,524 1.09,525 1.189,526 1.163,527 0.532,528 1.188,529 0.678,530 0.952,531 1.002,532 1,533 0.52,534 1.053,535 8,536 0.361,537 4.889,538 3.917,539 2.764,540 2.067,541 1.445,542 0.839,543 0.536,544 0.412,545 47659,546 133850,547 2.145,548 42.4,549 2,550 19,552 2,553 1,554 5,555 7,558 1.848,559 2.028,560 3.965,561 -0.393,567 141.525,568 1.665,569 4.006,570 5.418,571 5.997,572 6.109,573 6.109,574 3.485,575 5.451,576 5.583,577 4.231,578 4975.94,579 9.931,580 100089,585 544.798,586 1.34,587 5.556,588 0.145,589 0.006,590 0.063,591 0.046,592 0.031,593 0.022,594 0.016,595 0.01,596 0.008,597 0.007,598 0.353,599 0.17,600 0.5,601 1.253,602 293.883,603 0.067,604 -0.069,605 0.053,606 0.009,608 0.014,609 0.066,610 0.004,611 0.091,612 0.075,613 0.15,614 0.066,615 -0.099,616 0.004,617 0.01,618 0.06,619 -0.078,620 0.04,621 -0.058,622 0.029,623 0.05,624 0.063,625 -0.035,626 0.061,627 -0.144,628 -0.026,629 -0.156,630 -0.052,631 -0.112,632 -0.063,633 0.026,634 -0.053,635 -0.079,636 -0.087,637 -0.035,638 -0.161,639 0.025,640 -0.101,641 -0.144,642 -0.151,643 0.002,644 -0.175,645 0.013,646 0.007,647 -0.018,648 -0.034,649 0.005,650 -0.023,651 2.472,652 3.847,653 0.714,654 71.266,655 1.004,656 1.12,657 5.321,658 28.314,659 0.698,660 4.025,661 4.369,662 4.691,663 5.037,664 5.323,665 5.537,666 5.784,667 6.019,668 6.198,669 6.349,670 9.983,671 0.661,672 694.32,673 4.025,674 5.587,675 6.46,676 7.362,677 8.26,678 9.176,679 10.089,680 11.013,681 11.936,682 12.867,683 8.2,686 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 85,726 31,727 2,728 55,730 91,731 37,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 2,748 2,751 5,753 26,754 11,756 3,761 1,764 2,765 3,772 36,773 9,774 1,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,818 1,828 1,830 1,832 4,834 1,836 2,837 1,840 49,845 1,846 8,848 1,850 1,851 1,856 1,859 1,861 1,862 3.5,864 1,865 1,867 1,869 24.167,870 16.076,871 10.667,872 5.328,874 5.407,875 1.539,876 0.995,877 10.109,878 15.43,879 4.29,880 4.898,881 5.507,882 6.133,883 6.651,884 7.031,885 7.51,886 7.955,887 8.359,888 8.714,889 1,890 86,891 18.113,893 7.779,894 7.666,895 34.995,897 29.403,899 2.166,900 106.111,904 411.989,905 218.814,906 91.32,907 39.149,908 79.047,910 31.278,911 187.537,912 530.184,913 91.32,914 17.65,915 21.048,916 94.762,917 152.561,918 94.066,919 1.358,920 419.724,921 39.149,922 411.989,923 278.857,924 79.047,925 70.426,927 329.591,928 161.445,931 103.587,932 125.158,933 89.26,934 31.278,935 411.989,936 170.367,937 257.963,940 411.989,941 88.307,942 135.531,944 204.493,945 411.989,946 170.367,947 257.963,949 0.58,950 0.338,951 0.193,952 0.109,953 38,954 17,955 0.121,956 11,957 3,958 1.171,959 5.538,960 560.208,961 0.171,962 35,963 273.121,964 1,968 33.433,969 14.816,970 7.152,972 168.468,973 23.672,974 13.259,977 1.797,978 11.137,979 2.178,980 42.683,981 840.319,982 72,987 10.847,990 9.709,991 0.806,994 85.349,995 95.208,996 0.26,997 0.625,998 0.845,999 0.936,1000 0.953,1001 0.953,1002 5.545,1003 2.235,1004 6.447,1005 7.054,1006 5.056,1007 5.587,1008 3.184,1009 7.3,1010 4.96,1011 6.754,1012 2.076,1013 8.025,1014 6.305,1015 4.635,1016 5.352,1017 2.283,1018 8.287,1019 4.475,1020 8.067,1021 1.9,1022 9.707,1023 5.455,1024 6.676,1025 7.772,1026 4.638,1027 11.463,1028 6.491,1029 9.418,1030 1.782,1031 11.456,1032 5.289,1033 7.116,1034 8.409,1035 4.123,1036 13.341,1037 6.864,1038 10.805,1039 1.716,1040 13.248,1041 5.184,1042 8.611,1043 10.275,1044 6.293,1045 16.041,1046 8.334,1047 12.219,1048 1.54,1049 15.071,1050 4.487,1051 9.454,1052 11.33,1053 5.891,1054 18.283,1055 9.109,1056 13.655,1057 1.478,1058 16.918,1059 3.823,1060 10.741,1061 12.963,1062 7.992,1063 20.836,1064 10.363,1065 3.434,1066 1.414,1067 18.782,1068 3.378,1069 11.773,1070 14.226,1071 7.626,1072 23.231,1073 11.331,1074 3.032,1075 12.682,1076 20.661,1077 3.267,1078 12.987,1079 15.759,1080 9.704,1081 25.744,1082 12.502,1083 3.012,1084 10.738,1085 22.55,1086 4.517,1087 14.106,1088 17.126,1089 9.342,1090 28.206,1091 13.561,1092 2.89,1093 10.225,1094 24.449,1095 4.001,1096 15.299,1097 18.619,1098 11.42,1099 30.714,1100 14.705,1101 2.607,1102 9.645,1103 26.356,1104 3.986,1105 16.461,1106 20.039,1107 11.051,1108 33.208,1109 15.808,1110 2.346,1111 7.921,1112 28.269,1113 3.837,1114 17.653,1115 21.519,1116 13.139,1117 35.721,1118 16.947,1119 2.324,1120 7.383,1121 30.188,1122 3.48,1123 18.837,1124 22.967,1125 12.755,1126 38.232,1127 18.073,1128 44221,1129 74258,1130 37.391,1131 59.33,1132 84.044,1133 86.049,1134 85.626,1135 83.003,1136 82.744,1137 107.338,1138 13.725,1139 241.737,1140 78.585,1141 5.724,1142 6,1143 7.013,1144 5.542,1145 5.434,1146 7.517,1147 4.746,1148 20.396,1149 5.245,1150 23.051,1151 1.528,1152 1.565,1153 1.557,1154 1.509,1155 1.504,1156 1.952,1157 0.25,1158 4.395,1159 1.429,1160 4.135,1161 4.167,1162 4.33,1163 4.087,1164 7.474,1165 4.058,1166 3.983,1167 4.015,1168 3.999,1169 3.916,1170 6.351,1171 3.914,1172 3.873,1173 3.9,1174 3.942,1175 3.828,1176 5.102,1177 3.81,1178 3.838,1179 3.89,1180 3.819,1181 3.72,1182 5.005,1183 3.724,1184 3.773,1185 3.812,1186 3.741,1187 3.632,1188 4.939,1189 3.65,1190 3.728,1191 3.775,1192 3.601,1193 3.568,1194 4.799,1195 3.564,1196 3.454,1197 3.524,1198 3.437,1199 3.284,1200 4.669,1201 3.286,1202 3.427,1203 3.466,1204 3.379,1205 3.263,1206 4.609,1207 3.249,1208 0.087,1209 0.073,1210 0.131,1211 0.08,1212 0.062,1213 4.777,1214 0.082,1215 4,1216 0.043,1217 7.189,1218 0.231,1219 4.376,1220 0.059,1221 3.434,1222 4.517,1223 2.373,1224 12.682,1225 3.245,1226 1.966,1227 1.94,1228 2.067,1229 2.062,1230 1.325,1231 2.066,1232 1.92,1233 1.901,1234 2.001,1235 1.996,1236 1.276,1237 2.003,1238 1.816,1239 1.778,1240 1.953,1241 1.948,1242 1.167,1243 1.954,1244 1.751,1245 1.716,1246 1.938,1247 1.894,1248 1.1,1249 1.91,1250 1.704,1251 1.653,1252 1.888,1253 1.864,1254 1.04,1255 1.876,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.959,1261 1.846,1262 1.545,1263 1.498,1264 1.722,1265 1.726,1266 0.864,1267 1.732,1268 1.34,1269 1.282,1270 1.556,1271 1.607,1272 0.771,1273 1.578,1274 4.71,1276 6.047,1277 3.045,1278 7.574,1279 5.533,1280 9.193,1281 7.751,1282 10.867,1284 4.063,1285 6.778,1289 8.912,1290 4.968,1292 5.676,1294 -0.169,1295 2.478,1300 56.211,1301 141.525,1302 340.517,1303 460.559,1304 509.779,1305 519.288,1306 519.288,1307 87.17,1308 10.023,1309 118.09,1310 146.33,1311 41,1312 13.37,1313 5,1314 4.17,1315 70.825,1316 298,1317 353,1318 0.115,1319 346.108,1320 602.49,1321 836.262,1322 413140,1323 1.2,1324 33.907,1325 0.692,1326 0.59,1327 34.76,1328 28.915,1329 23.868,1330 0.434,1331 0.32,1332 16.319,1333 22.339,1334 15.809,1335 13.032,1336 24.565,1337 17.602,1338 21.654,1339 0.278,1340 0.177,1341 22.64,1342 13.776,1343 18.332,1344 0.17,1345 0.096,1346 19.484,1347 10.338,1348 16.229,1349 0.106,1350 0.053,1351 17.639,1352 8.127,1353 13.626,1354 0.067,1355 0.029,1356 14.952,1357 6.002,1358 0.184,1359 156.005,1360 0.164,1361 42.217,1362 0.307,1363 266,1364 750.2,1365 328.882,1366 780.268,1367 1072.21,1368 732,1369 319,1370 769.855,1371 378.37,1372 801.487,1373 1178.88,1374 756,1375 7.62} {0 CHEMBL164758,1 1.639,2 21.702,3 7.019,4 49.271,5 226.405,6 7.764,7 0.438,8 4.746,9 4.859,10 4.38,11 4.302,12 5.787,13 4.268,14 5.321,15 5.497,16 4.759,17 4.713,18 6.301,19 4.656,20 5.575,21 5.779,22 4.883,23 4.898,24 6.513,25 4.81,26 5.652,27 5.864,28 4.954,29 4.958,30 6.594,31 4.854,32 5.666,33 5.866,34 4.924,35 4.977,36 6.616,37 4.879,38 5.714,39 5.91,40 5.01,41 5.05,42 6.681,43 4.933,44 5.763,45 5.985,46 4.86,47 5.032,48 6.677,49 4.89,50 5.767,51 6.031,52 4.687,53 4.919,54 6.614,55 4.761,56 0.091,57 1.554,58 21.236,59 9.843,60 16.163,61 12.579,62 0.559,63 2.585,64 44.873,65 16.42,66 47.832,67 21.413,68 0.793,69 3.212,70 64.044,71 21.985,72 67.856,73 28.719,74 0.714,75 3.445,76 72.701,77 24.548,78 78.31,79 32.179,80 0.871,81 3.426,82 74.942,83 25.889,84 82.649,85 32.321,86 1.055,87 3.589,88 78.632,89 27.157,90 90.382,91 34.686,92 0.864,93 3.706,94 82.012,95 28.641,96 95.047,97 38.2,98 0.983,99 3.558,100 84.361,101 27.66,102 104.853,103 38.516,104 17,105 89,106 0.234,107 0.548,108 0.772,109 0.869,110 0.889,111 0.889,112 4.062,113 0.98,114 -6.13,115 -5.97,116 -5.55,118 41.3,119 2,120 4,124 10,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 16,171 3,172 16,180 19,185 4,186 20,194 13,197 2,198 26,206 17,209 3,210 15,218 22,221 5,222 13,229 28,233 5,234 12,242 20,246 2,247 15,255 16,258 1,259 18,267 13,270 9472,271 39.396,272 39.396,273 39.396,274 39.396,275 39.396,276 35.488,277 46.133,278 23.684,279 40.57,280 31.696,281 31.696,282 31.696,283 31.696,284 31.696,285 25.687,286 60.422,287 11.355,288 33.601,289 5.061,290 2.863,291 1.298,292 0.62,293 0.476,294 0.476,295 4.785,297 1,301 2762,302 4.899,305 227.221,306 914.326,307 168.071,309 189.376,310 472.677,313 3.763,314 47.9,317 0.25,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.41,325 122.333,326 1237,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.392,337 3.682,338 6.687,339 4.017,340 3.032,341 4.001,342 2.373,343 10.738,344 2.988,345 4.361,346 3.625,347 6.508,348 3.957,349 3.012,350 3.986,351 0.995,352 10.225,353 2.832,354 4.232,355 3.245,356 6.358,357 3.833,358 2.89,359 3.837,360 0.86,361 9.645,362 2.711,363 3.934,364 3.207,365 5.772,366 3.575,367 2.607,368 3.48,369 0.8,370 7.921,371 2.531,372 3.668,373 3.005,374 5.639,375 3.452,376 2.533,377 2.976,378 0.795,379 7.383,380 2.333,381 3.661,382 2.888,383 5.519,384 3.329,385 2.357,386 2.866,387 0.359,388 7.054,389 2.259,390 3.568,391 2.852,392 5.343,393 3.298,394 2.346,395 2.831,396 0.286,397 6.972,398 2.224,399 3.505,400 2.737,401 5.221,402 3.263,403 2.324,404 2.678,406 6.305,407 2.166,408 3.45,409 2.539,410 5.029,411 3.042,412 2.077,413 2.511,415 6.077,416 2,417 3.21,418 2.288,419 4.977,420 2.837,421 1.902,422 2.38,424 5.455,425 1.767,426 3.11,427 2.193,428 4.89,429 2.715,430 1.787,431 2.275,433 5.289,434 1.657,435 2.939,436 2.077,437 4.631,438 2.678,439 1.738,440 2.059,442 4.487,443 1.609,444 2.869,445 1.996,446 4.184,447 2.482,448 1.552,449 2.02,451 3.84,452 1.449,453 2.836,454 1.87,455 4.127,456 2.463,457 1.54,458 1.934,460 3.379,461 1.42,462 27.581,463 0.484,464 1.178,465 0.021,466 68.5,467 1.202,468 30.5,469 0.535,470 38,471 0.667,472 69.326,473 1.216,474 61.219,475 0.589,476 62.09,477 1.089,478 13.309,479 0.233,480 14.615,481 0.256,482 0.074,484 0.315,487 0.706,488 1.331,489 0.688,490 1.057,491 0.577,492 0.973,493 1.08,494 1.077,495 0.811,496 0.873,497 0.718,498 0.874,499 1.102,500 1.008,501 0.974,502 0.916,503 0.951,504 0.916,505 0.987,506 1.079,507 1.004,508 1.038,509 1.035,510 0.968,511 1.225,512 1.025,513 1.139,514 1.048,515 1.143,516 0.958,517 0.955,518 1.051,519 1.094,520 1.067,521 0.982,522 1.08,523 0.826,524 1.121,525 1.196,526 1.182,527 1.061,528 1.188,529 0.793,530 0.962,531 1.007,532 0.994,533 0.938,534 1.038,535 8.5,536 0.365,537 5.333,538 4.104,539 2.835,540 2.213,541 1.547,542 0.873,543 0.564,544 0.417,545 81698,546 207933,547 2.165,548 45.2,549 2,550 31,552 2,554 5,555 7,558 1.879,559 2.073,560 4.256,561 -0.751,567 170.451,568 1.639,569 3.837,570 5.402,571 6.08,572 6.224,573 6.224,574 3.761,575 5.587,576 5.797,577 4.569,578 7292.54,579 10.345,580 174006,585 696.846,586 1.226,587 5.784,588 0.133,589 0.005,590 0.06,591 0.042,592 0.029,593 0.022,594 0.015,595 0.01,596 0.008,597 0.006,598 0.329,599 0.17,600 0.38,601 0.371,602 362.315,603 0.078,604 -0.156,605 0.071,606 -0.053,607 0.057,608 -0.012,609 -0.038,610 0.033,611 0.057,612 0.099,613 0.038,614 0.071,615 -0.079,616 0.063,617 0.007,618 0.09,619 -0.051,620 0.05,621 -0.038,622 -0.026,623 0.05,624 0.017,625 -0.02,626 0.023,627 -0.114,628 0.021,629 -0.066,630 0.038,631 -0.099,632 0.03,633 0.031,634 -0.005,635 -0.042,636 -0.017,637 -0.039,638 -0.089,639 -0.002,640 -0.112,641 -0.148,642 -0.157,643 -0.067,644 -0.179,645 0.019,646 -0.008,647 -0.024,648 -0.03,649 -0.01,650 -0.03,651 1.844,652 5.267,653 0.719,654 106.729,655 1.002,656 1.125,657 4.895,658 23.961,659 0.679,660 4.174,661 4.5,662 4.812,663 5.136,664 5.407,665 5.595,666 5.829,667 6.054,668 6.229,669 6.377,670 12.443,671 0.64,672 807.5,673 4.174,674 5.727,675 6.592,676 7.482,677 8.369,678 9.274,679 10.176,680 11.09,681 12.003,682 12.926,683 7.7,686 2,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 104,726 31,727 2,728 64,730 111,731 43,733 23,734 4,735 8,736 2,739 8,740 14,741 1,745 2,748 2,751 5,753 26,754 17,756 3,761 1,764 2,765 3,772 47,773 11,775 14,776 2,779 8,784 0.625,785 4,795 1,801 2,802 5,803 1,805 1,806 2,819 1,828 2,831 1,832 5,834 1,836 2,837 1,840 57,846 14,848 3,850 1,851 2,856 1,859 1,861 1,862 3.8,865 1,866 1,867 2,869 27.5,870 19.41,871 12.5,872 6.62,874 5.38,875 1.519,876 0.995,877 12.964,878 15.751,879 4.407,880 4.977,881 5.566,882 6.17,883 6.676,884 7.046,885 7.519,886 7.961,887 8.364,888 8.718,889 1,890 97,891 21.144,893 9.013,894 7.572,895 41.262,897 34.542,899 2.072,900 118.111,904 553.242,905 245.19,906 94.445,907 39.149,908 58.363,910 31.278,911 213.912,912 650.754,913 94.445,914 17.65,915 41.142,916 94.762,917 127.159,918 108.19,919 1.358,920 560.977,921 39.149,922 553.242,923 308.357,924 58.363,925 70.426,927 470.844,928 129.761,929 11,931 126.806,932 131.44,933 89.26,934 31.278,935 553.242,936 152.808,937 284.339,940 553.242,941 114.682,942 138.655,944 183.809,945 553.242,946 152.808,947 284.339,949 0.575,950 0.338,951 0.192,952 0.107,953 42,954 18,955 0.135,956 15,957 3,958 1.146,959 6.338,960 663.392,961 0.146,962 41,963 326.475,964 1,968 39.672,969 18.627,970 9.28,972 150.909,973 23.92,974 13.362,977 1.807,978 11.24,979 2.189,981 990.389,982 81,987 12.267,990 9.849,991 1.466,994 104.196,995 116.992,996 0.245,997 0.573,998 0.806,999 0.907,1000 0.929,1001 0.929,1002 5.659,1003 2.346,1004 6.564,1005 7.054,1006 5.187,1007 5.666,1008 3.334,1009 7.393,1010 5.076,1011 6.844,1012 2.324,1013 8.125,1014 6.972,1015 4.691,1016 5.38,1017 2.321,1018 8.336,1019 4.524,1020 8.144,1021 2.077,1022 9.792,1023 6.305,1024 6.783,1025 7.811,1026 4.735,1027 11.509,1028 6.577,1029 9.482,1030 1.902,1031 11.527,1032 6.077,1033 7.171,1034 8.427,1035 4.283,1036 13.366,1037 6.909,1038 10.859,1039 1.787,1040 13.307,1041 5.455,1042 8.69,1043 10.292,1044 6.399,1045 16.06,1046 8.392,1047 12.264,1048 1.738,1049 15.121,1050 5.289,1051 9.499,1052 11.339,1053 6.16,1054 18.293,1055 9.143,1056 13.693,1057 1.552,1058 16.958,1059 4.487,1060 10.795,1061 12.971,1062 8.121,1063 20.843,1064 10.4,1065 3.434,1066 1.54,1067 18.815,1068 3.84,1069 11.806,1070 14.23,1071 7.993,1072 23.234,1073 11.354,1074 3.032,1075 12.682,1076 20.687,1077 3.379,1078 13.021,1079 15.763,1080 9.86,1081 25.746,1082 12.524,1083 3.012,1084 10.738,1085 22.571,1086 4.517,1087 14.128,1088 17.128,1089 9.802,1090 28.207,1091 13.576,1092 2.89,1093 10.225,1094 24.466,1095 4.001,1096 15.32,1097 18.621,1098 11.606,1099 30.715,1100 14.718,1101 2.607,1102 9.645,1103 26.369,1104 3.986,1105 16.475,1106 20.04,1107 11.599,1108 33.208,1109 15.817,1110 2.533,1111 7.921,1112 28.279,1113 3.837,1114 17.665,1115 21.519,1116 13.355,1117 35.722,1118 16.954,1119 2.357,1120 7.383,1121 30.196,1122 3.48,1123 18.845,1124 22.968,1125 13.391,1126 38.232,1127 18.078,1128 74565,1129 119231,1130 44.035,1131 70.597,1132 96.487,1133 99.162,1134 98.083,1135 95.614,1136 95.371,1137 119.921,1138 17.821,1139 273.08,1140 89.878,1141 5.777,1142 6,1143 7.012,1144 5.542,1145 5.434,1146 7.517,1147 4.816,1148 20.396,1149 5.245,1150 22.459,1151 1.508,1152 1.549,1153 1.533,1154 1.494,1155 1.49,1156 1.874,1157 0.278,1158 4.267,1159 1.404,1160 4.138,1161 4.17,1162 4.33,1163 4.088,1164 7.432,1165 4.059,1166 3.985,1167 4.016,1168 3.999,1169 3.916,1170 5.103,1171 3.914,1172 3.874,1173 3.903,1174 3.943,1175 3.828,1176 5.006,1177 3.81,1178 3.84,1179 3.892,1180 3.819,1181 3.72,1182 4.94,1183 3.724,1184 3.822,1185 3.877,1186 3.741,1187 3.633,1188 4.799,1189 3.65,1190 3.773,1191 3.812,1192 3.709,1193 3.612,1194 4.67,1195 3.624,1196 3.721,1197 3.77,1198 3.595,1199 3.547,1200 4.633,1201 3.548,1202 3.486,1203 3.526,1204 3.438,1205 3.284,1206 4.609,1207 3.287,1208 0.075,1209 0.062,1210 0.112,1211 0.068,1212 0.054,1213 4.777,1214 0.071,1215 4,1216 0.038,1217 7.189,1218 0.198,1219 4.376,1220 0.051,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.966,1227 1.94,1228 2.067,1229 2.062,1230 1.325,1231 2.066,1232 1.92,1233 1.901,1234 2.001,1235 1.997,1236 1.28,1237 2.003,1238 1.816,1239 1.778,1240 1.966,1241 1.991,1242 1.252,1243 1.985,1244 1.751,1245 1.716,1246 1.946,1247 1.948,1248 1.167,1249 1.954,1250 1.745,1251 1.689,1252 1.936,1253 1.894,1254 1.1,1255 1.909,1256 1.699,1257 1.643,1258 1.888,1259 1.864,1260 1.04,1261 1.876,1262 1.67,1263 1.626,1264 1.826,1265 1.85,1266 0.959,1267 1.846,1268 1.545,1269 1.498,1270 1.722,1271 1.726,1272 0.929,1273 1.732,1274 4.86,1276 6.184,1277 3.045,1278 7.698,1279 5.533,1280 9.304,1281 7.751,1282 10.963,1284 4.08,1285 6.812,1290 9.865,1292 16.674,1294 -0.169,1295 4.75,1300 66.581,1301 170.451,1302 399.082,1303 561.852,1304 632.316,1305 647.336,1306 647.336,1307 102.499,1308 10.371,1309 119.56,1310 147.8,1311 47,1312 13.435,1313 5,1314 4.17,1315 82.18,1316 424,1317 539,1318 0.091,1319 407.059,1320 713.72,1321 984.983,1322 689772,1323 1,1324 39.141,1325 0.687,1326 0.596,1327 39.995,1328 33.974,1329 27.924,1330 0.436,1331 0.327,1332 19.525,1333 26.086,1334 18.98,1335 15.576,1336 28.621,1337 20.897,1338 24.8,1339 0.279,1340 0.18,1341 25.787,1342 16.057,1343 21.281,1344 0.174,1345 0.099,1346 22.434,1347 12.102,1348 18.545,1349 0.11,1350 0.055,1351 19.955,1352 9.306,1353 15.38,1354 0.069,1355 0.03,1356 16.706,1357 6.762,1358 0.148,1359 182.282,1360 0.151,1361 48.421,1362 0.233,1363 306,1364 865.167,1365 375.282,1366 876.447,1367 1205.39,1368 828,1369 364,1370 860.028,1371 430.685,1372 887.828,1373 1309.16,1374 838,1375 6.821} {0 CHEMBL165359,1 1.636,2 21.127,3 7.829,4 61.298,5 217.642,6 7.863,7 0.459,8 4.686,9 4.797,10 4.327,11 4.268,12 5.765,13 4.228,14 5.244,15 5.414,16 4.712,17 4.671,18 6.266,19 4.608,20 5.507,21 5.708,22 4.854,23 4.843,24 6.501,25 4.762,26 5.565,27 5.75,28 4.941,29 4.907,30 6.622,31 4.821,32 5.601,33 5.786,34 4.909,35 4.949,36 6.612,37 4.855,38 5.692,39 5.894,40 4.968,41 5.027,42 6.663,43 4.903,44 5.75,45 5.982,46 4.809,47 4.992,48 6.669,49 4.847,50 5.71,51 5.968,52 4.645,53 4.871,54 6.606,55 4.72,56 0.091,57 1.442,58 19.46,59 9.392,60 15.208,61 11.888,62 0.458,63 2.392,64 40.455,65 16.019,66 44.583,67 20.798,68 0.645,69 2.998,70 59.873,71 20.881,72 72.39,73 26.675,74 0.762,75 3.195,76 65.232,77 22.008,78 95.078,79 27.449,80 0.771,81 3.264,82 67.781,83 24.127,84 87.339,85 29.501,86 0.808,87 3.527,88 77.729,89 27.314,90 84.147,91 34.853,92 0.866,93 3.629,94 81.666,95 28.366,96 98.618,97 37.972,98 0.826,99 3.376,100 79.918,101 26.752,102 97.597,103 36.61,104 46,105 85,106 0.236,107 0.558,108 0.782,109 0.888,110 0.902,111 0.902,112 4.027,113 0.986,114 -7.02,115 -6.82,116 -6.31,118 42.4,119 3,120 7,124 4,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 2,157 2,162 2,168 19,171 4,172 18,180 23,185 2,186 20,194 18,197 2,198 28,206 23,209 2,210 18,218 26,221 3,222 18,229 29,233 5,234 17,242 20,246 1,247 17,255 19,258 4,259 17,267 18,270 7923,271 37.75,272 37.75,273 37.75,274 37.75,275 37.75,276 33.712,277 41.117,278 22.619,279 38.703,280 30.123,281 30.123,282 30.123,283 30.123,284 30.123,285 23.831,286 48.62,287 10.696,288 31.607,289 4.993,290 2.758,291 1.197,292 0.462,293 0.366,294 0.366,295 4.742,297 1,301 2554,302 5.244,305 220.843,306 672.137,307 163.4,309 185.639,310 459.52,313 3.261,314 51.954,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 117.833,326 1162,327 4.777,328 4,329 7.189,330 4.377,331 3.435,332 4.518,333 2.443,334 12.683,335 3.246,336 4.391,337 3.74,338 6.688,339 4.014,340 3.027,341 4.001,342 2.373,343 10.741,344 2.987,345 4.362,346 3.681,347 6.508,348 3.964,349 3.02,350 3.985,351 1.943,352 10.223,353 2.839,354 4.241,355 3.606,356 6.369,357 3.863,358 2.916,359 3.838,360 0.795,361 9.686,362 2.751,363 3.93,364 3.225,365 6.031,366 3.644,367 2.681,368 3.475,369 0.736,370 8.571,371 2.574,372 3.897,373 3.143,374 5.707,375 3.51,376 2.516,377 3.115,378 0.286,379 7.356,380 2.496,381 3.655,382 2.982,383 5.527,384 3.35,385 2.373,386 2.936,387 0.079,388 7.301,389 2.297,390 3.64,391 2.737,392 5.483,393 3.272,394 2.337,395 2.844,397 6.831,398 2.179,399 3.486,400 2.665,401 5.039,402 3.089,403 2.127,404 2.825,406 6.066,407 2.05,408 3.413,409 2.559,410 5.029,411 3.044,412 2.068,413 2.617,415 5.858,416 1.991,417 3.154,418 2.157,419 4.977,420 2.73,421 1.807,422 2.352,424 5.296,425 1.678,426 3.036,427 2.127,428 4.676,429 2.716,430 1.775,431 2.203,433 4.567,434 1.637,435 2.879,436 1.986,437 4.208,438 2.545,439 1.576,440 2.032,442 3.924,443 1.521,444 2.848,445 1.847,446 4.181,447 2.484,448 1.54,449 1.959,451 3.78,452 1.442,453 2.794,454 1.829,455 4.13,456 2.421,457 1.452,458 1.84,460 3.375,461 1.392,462 26.681,463 0.485,464 1.199,465 0.022,466 67.5,467 1.227,468 32,469 0.582,470 35.5,471 0.645,472 66.563,473 1.21,474 58.519,475 0.591,476 60.855,477 1.106,478 12.832,479 0.233,480 13.985,481 0.254,482 0.108,484 0.33,487 0.632,488 1.247,489 0.682,490 1.015,491 0.539,492 0.953,493 0.79,494 1.108,495 0.752,496 0.922,497 0.593,498 0.902,499 1.136,500 0.995,501 0.933,502 0.882,503 1.008,504 0.852,505 1.273,506 1.085,507 1.096,508 1.035,509 1.385,510 0.977,511 1.246,512 1.069,513 1.15,514 1.081,515 1.233,516 1.015,517 0.81,518 1.127,519 1.102,520 1.146,521 0.728,522 1.111,523 0.777,524 1.078,525 1.14,526 1.13,527 0.732,528 1.14,529 0.816,530 0.994,531 1.02,532 1.034,533 0.759,534 1.053,535 8.5,536 0.37,537 6,538 4.167,539 2.964,540 2.241,541 1.584,542 0.82,543 0.656,544 0.56,545 70781,546 189961,547 2.117,548 44.4,549 6,550 19,552 2,554 7,555 10,558 1.871,559 2,560 4.227,561 -0.76,567 161.962,568 1.636,569 3.872,570 5.432,571 6.167,572 6.263,573 6.263,574 3.705,575 5.672,576 5.751,577 4.515,578 6704.88,579 10.244,580 155243,585 656.306,586 1.342,587 5.721,588 0.139,589 0.006,590 0.071,591 0.044,592 0.03,593 0.023,594 0.016,595 0.01,596 0.009,597 0.008,598 0.355,599 0.17,600 0.38,601 1.4,602 346.028,603 0.083,604 -0.097,605 0.062,606 -0.025,607 0.029,608 -0.002,609 0.092,610 -0.018,611 0.101,612 0.06,613 0.071,614 0.057,615 -0.104,616 0.066,617 0.057,618 0.124,619 -0.072,620 0.112,621 -0.132,622 -0.003,623 -0.026,624 0.013,625 -0.132,626 -0.019,627 -0.151,628 -0.006,629 -0.106,630 -0.013,631 -0.141,632 -0.042,633 0.039,634 -0.09,635 -0.042,636 -0.088,637 0.01,638 -0.11,639 0.026,640 -0.089,641 -0.107,642 -0.13,643 -0.003,644 -0.132,645 0.005,646 -0.041,647 -0.032,648 -0.066,649 0.022,650 -0.04,651 1.863,652 6.7,653 0.636,654 92.494,655 1.002,656 1.122,657 5.787,658 33.487,659 0.685,660 4.127,661 4.454,662 4.771,663 5.088,664 5.357,665 5.565,666 5.802,667 6.016,668 6.18,669 6.304,670 12.019,671 0.647,672 778.45,673 4.127,674 5.68,675 6.547,676 7.439,677 8.331,678 9.238,679 10.144,680 11.062,681 11.979,682 12.904,683 7.1,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 99,726 32,727 2,728 61,730 105,731 42,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 8,753 27,754 15,756 4,761 2,764 2,765 4,772 44,773 10,775 13,776 2,779 7,784 0.571,785 4,795 1,801 2,802 4,803 1,805 1,806 2,817 1,819 1,832 4,834 1,836 3,837 1,840 55,846 11,848 2,850 1,851 1,856 1,859 1,861 1,862 4,865 2,867 2,869 27.5,870 18.96,871 12.194,872 6.52,874 5.346,875 1.527,876 0.986,877 12.749,878 15.496,879 4.382,880 4.963,881 5.559,882 6.157,883 6.664,884 7.041,885 7.514,886 7.948,887 8.335,888 8.656,889 0.929,890 95,891 20.42,893 8.704,894 7.66,895 39.431,897 32.744,899 2.16,900 118.778,904 517.928,905 248.716,906 91.32,907 39.149,908 72.509,910 31.278,911 217.438,912 629.586,913 91.32,914 26.476,915 34.262,916 94.762,917 146.009,918 101.942,919 1.358,920 525.664,921 39.149,922 517.928,923 308.759,924 72.509,925 70.426,927 400.217,928 190.22,931 122.503,932 136.144,933 89.26,934 31.278,935 517.928,936 163.829,937 287.865,940 517.928,941 109.383,942 144.356,944 197.954,945 517.928,946 163.829,947 287.865,949 0.575,950 0.341,951 0.191,952 0.104,953 39,954 18,955 0.143,956 15,957 3,958 1.171,959 6.075,960 627.7,961 0.171,962 35,963 317.975,964 1,968 38.868,969 18.041,970 8.868,972 161.93,973 23.352,974 13.197,977 1.696,978 10.501,979 2.127,981 969.622,982 79,987 25.342,990 9.678,991 1.5,994 99.21,995 111.079,996 0.247,997 0.584,998 0.819,999 0.93,1000 0.945,1001 0.945,1002 5.631,1003 2.337,1004 6.526,1005 7.301,1006 5.142,1007 5.652,1008 3.428,1009 7.368,1010 5.05,1011 6.829,1012 2.127,1013 8.099,1014 6.831,1015 4.691,1016 5.407,1017 2.619,1018 8.345,1019 4.546,1020 8.137,1021 2.068,1022 9.778,1023 6.066,1024 6.751,1025 7.817,1026 4.866,1027 11.513,1028 6.575,1029 9.483,1030 1.807,1031 11.524,1032 5.858,1033 7.179,1034 8.453,1035 4.538,1036 13.383,1037 6.942,1038 10.867,1039 1.775,1040 13.313,1041 5.296,1042 8.677,1043 10.306,1044 6.494,1045 16.075,1046 8.411,1047 12.278,1048 1.576,1049 15.134,1050 4.567,1051 9.511,1052 11.358,1053 6.339,1054 18.309,1055 9.181,1056 13.711,1057 1.54,1058 16.977,1059 3.924,1060 10.796,1061 12.983,1062 8.184,1063 20.857,1064 10.431,1065 3.435,1066 1.452,1067 18.838,1068 3.78,1069 11.822,1070 14.242,1071 8.111,1072 23.247,1073 11.392,1074 3.027,1075 12.683,1076 20.712,1077 3.375,1078 13.031,1079 15.771,1080 9.901,1081 25.757,1082 12.559,1083 3.02,1084 10.741,1085 22.597,1086 4.518,1087 14.145,1088 17.134,1089 9.879,1090 28.215,1091 13.612,1092 2.916,1093 10.223,1094 24.492,1095 4.001,1096 15.334,1097 18.626,1098 11.632,1099 30.722,1100 14.752,1101 2.681,1102 9.686,1103 26.395,1104 3.985,1105 16.492,1106 20.044,1107 11.649,1108 33.214,1109 15.849,1110 2.516,1111 8.571,1112 28.305,1113 3.838,1114 17.681,1115 21.522,1116 13.373,1117 35.726,1118 16.984,1119 2.373,1120 7.356,1121 30.22,1122 3.475,1123 18.861,1124 22.97,1125 13.423,1126 38.236,1127 18.106,1128 65942,1129 108243,1130 41.263,1131 67.83,1132 92.315,1133 95.365,1134 94.55,1135 91.231,1136 91.039,1137 116.662,1138 17.31,1139 262.45,1140 86.726,1141 5.728,1142 6,1143 7.017,1144 5.543,1145 5.435,1146 7.518,1147 4.816,1148 20.397,1149 5.246,1150 27.241,1151 1.513,1152 1.563,1153 1.55,1154 1.496,1155 1.492,1156 1.912,1157 0.284,1158 4.302,1159 1.422,1160 4.135,1161 4.167,1162 4.33,1163 4.085,1164 7.433,1165 4.056,1166 3.993,1167 4.022,1168 4,1169 3.929,1170 7.426,1171 3.926,1172 3.873,1173 3.9,1174 3.945,1175 3.828,1176 5.102,1177 3.81,1178 3.842,1179 3.894,1180 3.821,1181 3.726,1182 5.005,1183 3.728,1184 3.808,1185 3.851,1186 3.75,1187 3.643,1188 4.94,1189 3.668,1190 3.746,1191 3.788,1192 3.631,1193 3.579,1194 4.799,1195 3.578,1196 3.619,1197 3.658,1198 3.604,1199 3.492,1200 4.657,1201 3.487,1202 3.524,1203 3.577,1204 3.394,1205 3.292,1206 4.617,1207 3.298,1208 0.078,1209 0.066,1210 0.118,1211 0.072,1212 0.056,1213 4.777,1214 0.074,1215 4,1216 0.04,1217 7.189,1218 0.208,1219 4.377,1220 0.053,1221 3.435,1222 4.518,1223 2.443,1224 12.683,1225 3.246,1226 1.968,1227 1.943,1228 2.078,1229 2.056,1230 1.326,1231 2.063,1232 1.923,1233 1.903,1234 2.005,1235 2.006,1236 1.279,1237 2.011,1238 1.817,1239 1.779,1240 1.958,1241 1.957,1242 1.27,1243 1.962,1244 1.788,1245 1.751,1246 1.947,1247 1.914,1248 1.105,1249 1.924,1250 1.711,1251 1.662,1252 1.918,1253 1.904,1254 1.069,1255 1.914,1256 1.671,1257 1.626,1258 1.826,1259 1.852,1260 1.039,1261 1.846,1262 1.594,1263 1.548,1264 1.801,1265 1.751,1266 0.94,1267 1.765,1268 1.529,1269 1.48,1270 1.798,1271 1.739,1272 0.926,1273 1.756,1274 4.812,1276 6.138,1277 3.045,1278 7.654,1279 5.533,1280 9.263,1281 7.751,1282 10.928,1284 5.812,1285 6.761,1290 6.304,1292 10.722,1294 -0.201,1295 1.987,1300 64.033,1301 161.962,1302 383.313,1303 537.803,1304 610.532,1305 620.042,1306 620.042,1307 115.793,1308 10.15,1309 124.16,1310 152.4,1311 41,1312 13.411,1313 5.044,1314 4.248,1315 84.841,1316 407,1317 487,1318 0.1,1319 395.138,1320 695.14,1321 955.897,1322 530729,1323 1,1324 38.313,1325 0.697,1326 0.598,1327 39.166,1328 32.906,1329 26.817,1330 0.44,1331 0.329,1332 18.731,1333 25.149,1334 18.155,1335 14.981,1336 27.514,1337 20.044,1338 23.721,1339 0.279,1340 0.178,1341 24.707,1342 15.145,1343 20.37,1344 0.174,1345 0.097,1346 21.523,1347 11.357,1348 17.589,1349 0.109,1350 0.054,1351 18.989,1352 8.753,1353 14.338,1354 0.068,1355 0.03,1356 15.706,1357 6.382,1358 0.163,1359 174.568,1360 0.156,1361 46.917,1362 0.256,1363 292,1364 841.522,1365 358.869,1366 859.354,1367 1178.61,1368 808,1369 348,1370 844.619,1371 411.025,1372 871.234,1373 1282.22,1374 824,1375 7.387} {0 CHEMBL165575,1 1.489,2 11.375,3 3.458,4 11.958,5 92.437,6 7.096,7 0.48,8 3.893,9 4.004,10 3.409,11 3.413,12 5.015,13 3.383,14 4.4,15 4.573,16 3.635,17 3.72,18 5.468,19 3.658,20 4.615,21 4.844,22 3.648,23 3.771,24 5.592,25 3.695,26 4.532,27 4.74,28 3.639,29 3.684,30 5.624,31 3.636,32 4.533,33 4.721,34 3.636,35 3.704,36 5.632,37 3.657,38 4.566,39 4.779,40 3.55,41 3.763,42 5.592,43 3.658,44 4.576,45 4.837,46 3.353,47 3.745,48 5.429,49 3.578,50 4.514,51 4.798,52 3.161,53 3.611,54 5.266,55 3.427,56 0.054,57 0.613,58 9.754,59 4.445,60 8.657,61 5.773,62 0.232,63 0.932,64 17.821,65 6.853,66 28.319,67 9.209,68 0.286,69 1.08,70 23.576,71 7.922,72 37.76,73 11.02,74 0.298,75 1.011,76 21.566,77 6.83,78 43.547,79 9.338,80 0.388,81 0.989,82 21.657,83 6.898,84 48.002,85 9.116,86 0.454,87 1.048,88 22.137,89 7.753,90 47.359,91 10.78,92 0.264,93 1.056,94 22.34,95 8.47,96 35.578,97 12.294,98 0.171,99 0.951,100 21.429,101 7.98,102 26.823,103 11.654,104 14,105 30,106 0.258,107 0.563,108 0.753,109 0.849,110 0.87,111 0.87,112 3.227,113 0.975,114 -4.14,115 -4.09,116 -3.86,118 41.3,119 1,120 3,124 2,140 7,141 2,143 2,153 1,154 1,162 1,168 10,171 1,172 8,180 9,186 10,194 6,197 1,198 12,206 6,209 1,210 7,218 8,221 2,222 3,229 9,233 2,234 2,242 9,247 2,255 7,259 6,267 4,270 998,271 16.648,272 16.648,273 16.648,274 16.648,275 16.648,276 14.833,277 10.291,278 10.759,279 17.018,280 12.363,281 12.363,282 12.363,283 12.363,284 12.363,285 9.722,286 7.244,287 5.087,288 12.809,289 4.034,290 2.267,291 1.172,292 0.614,293 0.495,294 0.495,295 3.898,298 1,299 1,300 1,301 563,302 3.873,306 186.128,313 1.646,314 20.029,315 1,316 1,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 52,326 273,327 4.369,328 3.999,329 6.498,330 3.992,331 3.006,332 3.943,333 2.443,334 10.173,335 2.962,336 3.736,337 3.681,338 5.247,339 3.35,340 2.373,341 3.298,342 2.373,343 6.4,344 2.297,345 3.655,346 2.937,347 5.029,348 3.27,349 2.278,350 2.825,351 0.286,352 6.066,353 2.259,354 3.28,355 2.278,356 4.224,357 2.791,358 1.839,359 2.58,361 4.071,362 1.747,363 2.798,364 1.835,365 3.766,366 2.623,367 1.656,368 1.908,370 3.427,371 1.594,372 2.781,373 1.793,374 3.555,375 2.301,376 1.317,377 1.821,379 2.88,380 1.294,381 2.518,382 1.658,383 3.452,384 2.205,385 1.259,386 1.5,388 2.63,389 1.183,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1.154,401 3.247,402 1.958,403 1,404 1.467,406 2.136,407 0.954,408 2.147,409 1,410 3.182,411 1.95,412 1,413 1.105,415 1.878,416 0.938,417 1.905,418 1,419 2.839,420 1.602,421 0.642,422 0.771,424 1.313,425 0.609,426 1.233,427 0.802,428 2.393,429 1.092,430 0.093,431 0.101,433 0.197,434 0.092,435 0.775,436 0.401,437 2.198,438 0.442,439 -0.495,440 -0.521,442 -0.829,443 -0.461,444 0.719,445 0.006,446 1.898,447 0.366,448 -0.645,449 -0.787,451 -1.284,452 -0.633,453 0.651,454 -0.608,455 1.555,456 0.276,457 -0.705,458 -0.952,460 -1.547,461 -0.689,462 11.3,463 0.471,464 0.277,465 0.012,466 29.5,467 1.229,468 15,469 0.625,470 14.5,471 0.604,472 17.888,473 0.745,474 26.5,475 0.576,476 20.555,477 0.856,478 6.06,479 0.253,480 5.749,481 0.24,482 0.074,484 0.177,487 0.651,488 1.266,489 0.817,490 1.195,491 0.568,492 1.062,493 0.938,494 1.178,495 0.987,496 1.111,497 0.681,498 1.067,499 1.227,500 0.998,501 0.94,502 0.881,503 1.069,504 0.866,505 1.475,506 1.022,507 1.063,508 0.942,509 1.486,510 0.927,511 1.756,512 0.987,513 1.196,514 0.911,515 1.644,516 0.955,517 0.954,518 1.022,519 1.131,520 1.024,521 0.868,522 1.09,523 0.439,524 1.009,525 0.985,526 1.086,527 0.405,528 1.12,529 0.511,530 0.975,531 0.908,532 1.036,533 0.462,534 1.037,535 2.5,536 0.107,537 1.778,538 1.125,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 6573,546 18133,547 2.02,548 47.8,549 2,550 11,552 2,554 2,555 5,558 1.667,559 1.946,560 3.428,561 -0.782,563 1,567 68.511,568 1.489,569 3.256,570 4.351,571 4.909,572 5.029,573 5.029,574 2.809,575 3.486,576 4.552,577 3.637,578 1003.73,579 7.848,580 12674.8,582 1,584 1,585 254.084,586 1.041,587 4.543,588 0.1,589 0.006,590 0.059,591 0.038,592 0.016,593 0.009,594 0.009,595 0.006,596 0.004,597 0.008,598 0.255,599 0.33,600 1,601 2.209,602 117.107,603 0.114,604 -0.092,605 0.055,606 -0.076,607 0.039,608 -0.033,609 0.05,610 -0.113,611 -0.045,612 -0.077,613 0.064,614 -0.077,615 -0.123,616 -0.014,617 0.058,618 0.085,619 -0.092,620 0.097,621 -0.165,622 0.017,623 -0.045,624 -0.004,625 -0.133,626 -0.003,627 -0.241,628 0.037,629 -0.163,630 0.041,631 -0.243,632 -0.037,633 0.079,634 -0.005,635 -0.159,636 -0.041,637 -0.007,638 -0.122,639 0.117,640 -0.033,641 -0.058,642 -0.088,643 0.083,644 -0.103,645 0.041,646 -0.056,647 0.033,648 -0.048,649 0.03,650 -0.014,651 1.832,652 4.256,653 0.5,654 23.75,655 1,656 1.126,657 2.912,658 8.478,659 0.652,660 3.258,661 3.434,662 3.611,663 3.784,664 3.912,665 3.807,666 3.871,667 3.85,668 3.761,669 3.689,670 6.79,671 0.619,672 326.43,673 3.258,674 4.71,675 5.493,676 6.301,677 7.107,678 7.929,679 8.748,680 9.577,681 10.404,682 11.238,683 4.3,692 1,693 1,699 9,700 1,704 2,706 12,709 1,724 46,726 14,727 1,728 25,730 47,731 19,733 11,734 1,735 5,736 1,739 2,740 2,745 1,751 3,753 13,754 6,756 2,761 1,764 1,765 2,768 1,769 1,772 22,773 5,775 5,779 2,784 1,785 3,795 1,802 2,819 1,832 2,836 1,840 24,846 5,848 2,862 6.5,865 1,867 2,869 12.333,870 8.4,871 5.722,872 2.967,874 2.016,875 1.321,876 0.921,877 7.819,878 8.3,879 3.526,880 3.97,881 4.449,882 4.936,883 5.407,884 5.402,885 5.775,886 5.989,887 6.104,888 6.208,889 1,890 30,891 8.831,893 3.477,894 7.757,895 16.854,897 12.753,899 2.257,900 54.167,903 1,904 258.964,905 126.361,906 36.185,908 47.364,911 126.361,912 306.328,913 36.185,914 8.825,915 16.788,916 66.334,917 75.421,918 66.085,920 235.422,922 258.964,923 162.547,924 47.364,927 200.109,928 106.219,931 63.108,932 82.653,933 16.786,935 258.964,936 83.549,937 126.361,940 258.964,941 33.108,942 93.254,944 83.549,945 258.964,946 83.549,947 126.361,949 0.536,950 0.3,951 0.166,952 0.086,953 10,954 4,955 0.213,956 10,958 1,959 3.765,960 169.326,962 12,963 103.284,968 17.995,969 10.429,970 6.359,972 83.549,973 17.141,974 4.138,978 1.868,981 468.875,982 33,987 11.256,990 4.278,991 0.579,994 46.022,995 51.777,996 0.27,997 0.59,998 0.788,999 0.889,1000 0.91,1001 0.91,1002 4.673,1003 1,1004 5.38,1005 2.63,1006 4.111,1007 4.654,1008 3.105,1009 6.047,1010 4.054,1011 5.798,1012 1,1013 6.836,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.72,1019 3.185,1020 7.032,1021 1,1022 8.408,1023 2.136,1024 5.533,1025 6.669,1026 4.701,1027 9.854,1028 5.437,1029 8.309,1030 0.642,1031 10.058,1032 1.878,1033 5.602,1034 6.882,1035 4.269,1036 11.548,1037 5.527,1038 9.625,1039 0.093,1040 11.766,1041 1.313,1042 7.261,1043 8.984,1044 6.395,1045 14.143,1046 7.139,1047 10.97,1048 -0.495,1049 13.516,1050 0.197,1051 7.832,1052 9.671,1053 6.158,1054 16.224,1055 7.722,1056 12.34,1057 -0.645,1058 15.295,1059 -0.829,1060 9.178,1061 11.46,1062 8.12,1063 18.645,1064 9.035,1065 3.006,1066 -0.705,1067 17.096,1068 -1.284,1069 10.015,1070 12.419,1071 7.992,1072 20.872,1073 9.873,1074 2.373,1075 10.173,1076 18.913,1077 -1.547,1078 11.217,1079 14.032,1080 9.86,1081 23.232,1082 11.051,1083 2.278,1084 6.4,1085 20.743,1086 3.943,1087 12.188,1088 15.155,1089 9.802,1090 25.514,1091 12.017,1092 1.839,1093 6.066,1094 22.582,1095 3.298,1096 13.327,1097 16.666,1098 11.606,1099 27.851,1100 13.137,1101 1.656,1102 4.071,1103 24.427,1104 2.825,1105 14.364,1106 17.888,1107 11.599,1108 30.155,1109 14.164,1110 1.317,1111 3.427,1112 26.278,1113 2.58,1114 15.477,1115 19.339,1116 13.355,1117 32.482,1118 15.261,1119 1.259,1120 2.88,1121 28.134,1122 1.908,1123 16.547,1124 20.621,1125 13.391,1126 34.795,1127 16.318,1128 6653,1129 11152,1130 16.871,1131 29.989,1132 35.335,1133 37.56,1134 35.769,1135 34.938,1136 34.927,1137 45.639,1138 10.204,1139 86.614,1140 33.857,1141 5.289,1142 5.999,1143 6.326,1144 5.028,1145 5.006,1146 6.943,1147 4.816,1148 16.907,1149 4.962,1150 9.419,1151 1.413,1152 1.502,1153 1.431,1154 1.398,1155 1.397,1156 1.826,1157 0.408,1158 3.465,1159 1.354,1160 3.976,1161 4.006,1162 3.925,1163 3.903,1164 7.432,1165 3.903,1166 3.788,1167 3.828,1168 3.716,1169 3.7,1170 5.009,1171 3.699,1172 3.747,1173 3.789,1174 3.629,1175 3.579,1176 4.802,1177 3.578,1178 3.525,1179 3.578,1180 3.386,1181 3.293,1182 4.676,1183 3.298,1184 3.329,1185 3.386,1186 3.189,1187 3.109,1188 4.467,1189 3.122,1190 3.164,1191 3.214,1192 3.036,1193 3.009,1194 4.031,1195 3.008,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.828,1201 2.715,1202 2.837,1203 2.886,1204 2.672,1205 2.626,1206 3.757,1207 2.614,1208 0.175,1209 0.16,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.999,1216 0.098,1217 6.498,1218 0.407,1219 3.992,1220 0.118,1221 3.006,1222 3.943,1223 2.443,1224 10.173,1225 2.962,1226 1.942,1227 1.916,1228 2.043,1229 2.035,1230 1.279,1231 2.037,1232 1.779,1233 1.743,1234 1.952,1235 1.907,1236 1.12,1237 1.92,1238 1.711,1239 1.662,1240 1.905,1241 1.893,1242 0.94,1243 1.901,1244 1.483,1245 1.42,1246 1.8,1247 1.741,1248 0.928,1249 1.758,1250 1.269,1251 1.215,1252 1.54,1253 1.539,1254 0.77,1255 1.536,1256 1.128,1257 1.082,1258 1.287,1259 1.319,1260 0.362,1261 1.307,1262 0.886,1263 0.821,1264 1.181,1265 1.082,1266 0.218,1267 1.107,1268 0.772,1269 0.707,1270 1.086,1271 1.062,1272 0.218,1273 1.081,1274 3.932,1276 5.142,1278 6.55,1280 8.052,1282 9.606,1284 1.805,1290 2.759,1292 10.343,1300 28.455,1301 68.511,1302 149.797,1303 200.168,1304 225.819,1305 231.329,1306 231.329,1307 44.914,1308 6.284,1309 60.78,1310 60.78,1311 12,1312 11.81,1313 3.907,1314 3.17,1315 48.577,1316 93,1317 116,1318 0.24,1319 180.396,1320 317.99,1321 431.927,1322 3717,1324 17.037,1325 0.71,1326 0.577,1327 17.037,1328 13.851,1329 11.809,1330 0.472,1331 0.325,1332 8.014,1333 11.307,1334 7.835,1335 6.557,1336 11.809,1337 8.124,1338 9.345,1339 0.312,1340 0.171,1341 9.345,1342 5.143,1343 7.277,1344 0.202,1345 0.092,1346 7.277,1347 3.31,1348 5.844,1349 0.136,1350 0.05,1351 5.844,1352 2.15,1353 4.363,1354 0.089,1355 0.027,1356 4.363,1357 1.326,1358 0.387,1359 74.293,1360 0.243,1361 24.079,1362 0.631,1363 110,1364 366.497,1365 121.854,1366 344.694,1367 461.43,1368 324,1369 121,1370 329.408,1371 131.972,1372 326.989,1373 465.46,1374 308,1375 9} {0 CHEMBL166193,1 1.664,2 20.302,3 6.917,4 47.844,5 208.44,6 8.069,7 0.475,8 4.632,9 4.739,10 4.296,11 4.217,12 5.731,13 4.183,14 5.182,15 5.347,16 4.688,17 4.62,18 6.23,19 4.564,20 5.437,21 5.628,22 4.832,23 4.793,24 6.466,25 4.722,26 5.5,27 5.678,28 4.923,29 4.855,30 6.595,31 4.777,32 5.538,33 5.719,34 4.887,35 4.887,36 6.592,37 4.804,38 5.597,39 5.782,40 4.928,41 4.968,42 6.606,43 4.851,44 5.67,45 5.902,46 4.763,47 4.937,48 6.583,49 4.788,50 5.628,51 5.89,52 4.605,53 4.786,54 6.538,55 4.633,56 0.106,57 1.362,58 17.417,59 8.673,60 14.451,61 10.763,62 0.481,63 2.259,64 36.829,65 14.791,66 43.196,67 18.798,68 0.667,69 2.827,70 54.443,71 19.183,72 69.329,73 23.784,74 0.739,75 3.025,76 59.626,77 20.486,78 89.951,79 24.864,80 0.832,81 3.072,82 63.385,83 22.303,84 90.458,85 26.427,86 0.844,87 3.247,88 69.069,89 24.652,90 80.277,91 30.36,92 0.78,93 3.392,94 73.487,95 26.432,96 85.968,97 35.493,98 0.895,99 3.108,100 76.034,101 25.365,102 95.902,103 34.292,104 46,105 83,106 0.242,107 0.578,108 0.796,109 0.876,110 0.889,111 0.889,112 3.991,113 0.968,114 -6.68,115 -6.5,116 -6.02,118 43,119 3,120 5,124 4,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 2,157 2,162 2,168 17,171 4,172 18,180 21,185 2,186 20,194 15,197 2,198 30,206 19,209 2,210 19,218 22,221 3,222 15,229 28,233 5,234 11,242 21,246 3,247 16,255 19,258 4,259 17,267 13,270 7200,271 36.335,272 36.335,273 36.335,274 36.335,275 36.335,276 32.298,277 39.843,278 21.643,279 37.289,280 29.123,281 29.123,282 29.123,283 29.123,284 29.123,285 22.868,286 49.925,287 10.236,288 30.608,289 4.875,290 2.568,291 1.07,292 0.519,293 0.433,294 0.433,295 4.707,297 1,301 2371,302 5.05,305 213.769,306 646.084,307 158.458,309 180.174,310 445.363,313 3.213,314 51.297,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 113.833,326 1076,327 4.777,328 3.999,329 7.189,330 4.377,331 3.435,332 4.518,333 2.443,334 12.683,335 3.246,336 4.381,337 3.764,338 6.688,339 4.005,340 3.026,341 4.001,342 2.373,343 10.741,344 2.976,345 4.361,346 3.681,347 6.5,348 3.964,349 3.014,350 3.97,351 2.017,352 10.18,353 2.842,354 4.242,355 3.609,356 6.37,357 3.871,358 2.921,359 3.838,360 0.795,361 9.691,362 2.77,363 4.017,364 3.225,365 6.057,366 3.697,367 2.727,368 3.496,369 0.775,370 8.695,371 2.633,372 3.801,373 3.148,374 5.712,375 3.419,376 2.44,377 3.125,378 0.286,379 7.405,380 2.381,381 3.655,382 2.953,383 5.543,384 3.35,385 2.373,386 2.956,387 0.219,388 7.112,389 2.297,390 3.641,391 2.737,392 5.383,393 3.271,394 2.337,395 2.833,397 6.725,398 2.179,399 3.513,400 2.642,401 5.129,402 3.121,403 2.149,404 2.825,406 6.093,407 2.082,408 3.391,409 2.526,410 5.029,411 3.001,412 2.039,413 2.604,415 6.066,416 1.943,417 3.153,418 2.172,419 4.977,420 2.729,421 1.802,422 2.352,424 5.295,425 1.675,426 3.04,427 2.127,428 4.67,429 2.71,430 1.775,431 2.206,433 4.544,434 1.63,435 2.877,436 1.982,437 4.19,438 2.498,439 1.545,440 2.032,442 3.93,443 1.474,444 2.846,445 1.845,446 4.181,447 2.477,448 1.524,449 1.957,451 3.436,452 1.429,453 2.794,454 1.829,455 4.025,456 2.35,457 1.414,458 1.835,460 3.366,461 1.264,462 25.681,463 0.485,464 1.199,465 0.023,466 66.5,467 1.255,468 32,469 0.604,470 34.5,471 0.651,472 61.568,473 1.162,474 55.919,475 0.601,476 60.302,477 1.138,478 12.832,479 0.242,480 12.985,481 0.245,482 0.112,484 0.343,487 0.633,488 1.236,489 0.663,490 0.995,491 0.542,492 0.931,493 0.799,494 1.09,495 0.735,496 0.894,497 0.601,498 0.871,499 1.167,500 1,501 0.949,502 0.882,503 1.029,504 0.85,505 1.238,506 1.123,507 1.094,508 1.064,509 1.303,510 0.987,511 1.302,512 1.029,513 1.143,514 1.039,515 1.29,516 0.961,517 0.885,518 1.136,519 1.173,520 1.173,521 0.853,522 1.155,523 0.61,524 1.073,525 1.096,526 1.13,527 0.569,528 1.167,529 0.724,530 0.933,531 0.989,532 1.001,533 0.658,534 1.002,535 8.5,536 0.373,537 6,538 4.042,539 3.204,540 2.157,541 1.502,542 0.893,543 0.716,544 0.588,545 62979,546 172967,547 2.122,548 43,549 2,550 19,552 2,554 7,555 10,558 1.863,559 2,560 4.163,561 -0.751,567 154.736,568 1.664,569 3.971,570 5.469,571 6.02,572 6.106,573 6.106,574 3.677,575 5.539,576 5.695,577 4.453,578 6136.28,579 10.136,580 136416,585 608.142,586 1.361,587 5.666,588 0.144,589 0.006,590 0.072,591 0.043,592 0.033,593 0.022,594 0.016,595 0.011,596 0.01,597 0.009,598 0.367,599 0.17,600 0.38,601 1.437,602 329.012,603 0.078,604 -0.101,605 0.061,606 -0.027,607 0.02,608 -0.004,609 0.084,610 -0.005,611 0.107,612 0.077,613 0.062,614 0.074,615 -0.129,616 0.068,617 0.035,618 0.121,619 -0.087,620 0.103,621 -0.126,622 -0.042,623 -0.029,624 -0.016,625 -0.1,626 -0.037,627 -0.169,628 0.031,629 -0.092,630 0.026,631 -0.137,633 -0.007,634 -0.091,635 -0.109,636 -0.111,637 -0.06,638 -0.166,639 0.069,640 -0.092,641 -0.08,642 -0.136,643 0.018,644 -0.145,645 0.078,646 0.002,647 0.043,648 -0.007,649 0.085,650 0.035,651 1.87,652 6.79,653 0.66,654 89.388,655 1.005,656 1.121,657 5.452,658 29.724,659 0.691,660 4.094,661 4.431,662 4.754,663 5.075,664 5.352,665 5.561,666 5.811,667 6.038,668 6.215,669 6.353,670 11.513,671 0.656,672 750.39,673 4.094,674 5.652,675 6.524,676 7.42,677 8.316,678 9.226,679 10.136,680 11.055,681 11.975,682 12.902,683 7.5,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 93,726 32,727 2,728 59,730 99,731 40,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 6,753 27,754 13,756 4,761 2,764 2,765 4,772 40,773 10,775 13,776 2,779 7,784 0.571,785 4,795 1,801 2,802 4,803 1,805 1,806 2,817 1,819 1,832 4,834 1,836 3,837 1,840 53,846 9,848 2,850 1,851 1,856 1,859 1,861 1,862 4.3,865 2,867 2,869 26.5,870 17.96,871 11.694,872 6.02,874 5.303,875 1.524,876 0.991,877 11.668,878 15.421,879 4.357,880 4.949,881 5.551,882 6.156,883 6.67,884 7.052,885 7.536,886 7.982,887 8.37,888 8.705,889 1,890 93,891 19.663,893 8.423,894 7.684,895 37.798,897 31.411,899 2.184,900 115.778,904 470.844,905 243.647,906 91.32,907 39.149,908 72.509,910 31.278,911 212.369,912 582.501,913 91.32,914 26.476,915 29.193,916 94.762,917 146.009,918 101.942,919 1.358,920 478.58,921 39.149,922 470.844,923 303.689,924 72.509,925 70.426,927 353.133,928 190.22,931 117.434,932 136.144,933 89.26,934 31.278,935 470.844,936 163.829,937 282.795,940 470.844,941 104.314,942 144.356,944 197.954,945 470.844,946 163.829,947 282.795,949 0.577,950 0.343,951 0.193,952 0.105,953 39,954 18,955 0.131,956 13,957 3,958 1.171,959 5.907,960 604.937,961 0.171,962 35,963 299.58,964 1,968 36.947,969 16.738,970 8.095,972 161.93,973 22.885,974 13.154,977 1.678,978 10.094,979 2.115,981 917.468,982 77,987 25.405,990 9.618,991 1.358,994 93.443,995 104.248,996 0.254,997 0.607,998 0.836,999 0.921,1000 0.934,1001 0.934,1002 5.609,1003 2.337,1004 6.509,1005 7.112,1006 5.118,1007 5.638,1008 3.457,1009 7.358,1010 5.024,1011 6.814,1012 2.149,1013 8.087,1014 6.725,1015 4.691,1016 5.407,1017 2.619,1018 8.345,1019 4.546,1020 8.126,1021 2.039,1022 9.77,1023 6.093,1024 6.737,1025 7.813,1026 4.896,1027 11.511,1028 6.558,1029 9.476,1030 1.802,1031 11.519,1032 6.066,1033 7.179,1034 8.453,1035 4.57,1036 13.383,1037 6.942,1038 10.862,1039 1.775,1040 13.31,1041 5.295,1042 8.67,1043 10.304,1044 6.521,1045 16.074,1046 8.402,1047 12.275,1048 1.545,1049 15.132,1050 4.544,1051 9.511,1052 11.357,1053 6.38,1054 18.308,1055 9.181,1056 13.708,1057 1.524,1058 16.976,1059 3.93,1060 10.794,1061 12.981,1062 8.207,1063 20.856,1064 10.427,1065 3.435,1066 1.414,1067 18.837,1068 3.436,1069 11.822,1070 14.239,1071 8.151,1072 23.245,1073 11.393,1074 3.026,1075 12.683,1076 20.712,1077 3.366,1078 13.031,1079 15.768,1080 9.919,1081 25.755,1082 12.558,1083 3.014,1084 10.741,1085 22.597,1086 4.518,1087 14.146,1088 17.131,1089 9.914,1090 28.214,1091 13.613,1092 2.921,1093 10.18,1094 24.492,1095 4.001,1096 15.335,1097 18.622,1098 11.647,1099 30.72,1100 14.752,1101 2.727,1102 9.691,1103 26.395,1104 3.97,1105 16.492,1106 20.039,1107 11.678,1108 33.212,1109 15.85,1110 2.44,1111 8.695,1112 28.304,1113 3.838,1114 17.681,1115 21.518,1116 13.384,1117 35.725,1118 16.985,1119 2.373,1120 7.405,1121 30.22,1122 3.496,1123 18.862,1124 22.966,1125 13.446,1126 38.235,1127 18.106,1128 58658,1129 97403,1130 39.876,1131 64.307,1132 89.785,1133 92.81,1134 91.918,1135 88.709,1136 88.518,1137 114.146,1138 17.815,1139 257.434,1140 84.206,1141 5.725,1142 5.999,1143 7.017,1144 5.544,1145 5.435,1146 7.518,1147 4.816,1148 20.397,1149 5.246,1150 26.503,1151 1.522,1152 1.573,1153 1.558,1154 1.504,1155 1.5,1156 1.935,1157 0.302,1158 4.363,1159 1.427,1160 4.135,1161 4.167,1162 4.33,1163 4.086,1164 7.433,1165 4.057,1166 3.987,1167 4.017,1168 3.999,1169 3.922,1170 7.426,1171 3.919,1172 3.873,1173 3.9,1174 3.945,1175 3.828,1176 5.102,1177 3.81,1178 3.843,1179 3.892,1180 3.821,1181 3.725,1182 5.005,1183 3.729,1184 3.791,1185 3.832,1186 3.753,1187 3.637,1188 4.94,1189 3.659,1190 3.746,1191 3.788,1192 3.629,1193 3.579,1194 4.799,1195 3.577,1196 3.534,1197 3.582,1198 3.537,1199 3.359,1200 4.65,1201 3.369,1202 3.497,1203 3.539,1204 3.388,1205 3.29,1206 4.615,1207 3.294,1208 0.081,1209 0.068,1210 0.122,1211 0.074,1212 0.058,1213 4.777,1214 0.077,1215 3.999,1216 0.041,1217 7.189,1218 0.215,1219 4.377,1220 0.055,1221 3.435,1222 4.518,1223 2.443,1224 12.683,1225 3.246,1226 1.964,1227 1.94,1228 2.061,1229 2.056,1230 1.297,1231 2.058,1232 1.922,1233 1.902,1234 2.003,1235 2.001,1236 1.279,1237 2.006,1238 1.816,1239 1.78,1240 1.954,1241 1.952,1242 1.189,1243 1.954,1244 1.769,1245 1.734,1246 1.938,1247 1.906,1248 1.102,1249 1.919,1250 1.711,1251 1.662,1252 1.903,1253 1.887,1254 1.039,1255 1.898,1256 1.67,1257 1.626,1258 1.826,1259 1.851,1260 0.973,1261 1.846,1262 1.549,1263 1.503,1264 1.8,1265 1.742,1266 0.94,1267 1.758,1268 1.483,1269 1.421,1270 1.723,1271 1.729,1272 0.864,1273 1.734,1274 4.779,1276 6.111,1277 3.045,1278 7.635,1279 5.533,1280 9.25,1281 7.751,1282 10.919,1284 5.792,1285 6.754,1290 4.524,1292 10.666,1294 -0.209,1295 1.944,1300 60.979,1301 154.736,1302 369.297,1303 508.658,1304 559.877,1305 567.877,1306 567.877,1307 108.767,1308 10.118,1309 124.16,1310 152.4,1311 41,1312 13.408,1313 5.044,1314 4.248,1315 80.131,1316 372,1317 464,1318 0.103,1319 375.953,1320 660.54,1321 909.086,1322 480252,1323 1.1,1324 36.898,1325 0.696,1326 0.594,1327 37.752,1328 31.492,1329 25.817,1330 0.438,1331 0.323,1332 17.731,1333 24.149,1334 17.172,1335 14.159,1336 26.514,1337 19.044,1338 23.013,1339 0.277,1340 0.174,1341 24,1342 14.465,1343 19.872,1344 0.173,1345 0.095,1346 21.024,1347 10.883,1348 17.212,1349 0.108,1350 0.052,1351 18.611,1352 8.344,1353 14.157,1354 0.067,1355 0.029,1356 15.525,1357 6.13,1358 0.169,1359 168.568,1360 0.158,1361 45.472,1362 0.268,1363 284,1364 833.522,1365 350.869,1366 851.14,1367 1167.15,1368 800,1369 340,1370 836.619,1371 403.025,1372 863.259,1373 1271.52,1374 816,1375 7.161} {0 CHEMBL166208,1 1.678,2 17.654,3 6.882,4 47.363,5 203.891,6 8.182,7 0.483,8 4.603,9 4.709,10 4.28,11 4.191,12 5.715,13 4.159,14 5.15,15 5.312,16 4.675,17 4.594,18 6.213,19 4.542,20 5.401,21 5.59,22 4.837,23 4.769,24 6.443,25 4.705,26 5.467,27 5.633,28 4.951,29 4.841,30 6.602,31 4.779,32 5.512,33 5.671,34 4.945,35 4.904,36 6.624,37 4.838,38 5.636,39 5.812,40 5.022,41 5.018,42 6.695,43 4.915,44 5.735,45 5.958,46 4.886,47 5.004,48 6.707,49 4.871,50 5.696,51 5.945,52 4.725,53 4.869,54 6.633,55 4.732,56 0.114,57 1.322,58 16.381,59 8.313,60 14.719,61 10.195,62 0.492,63 2.193,64 34.979,65 14.173,66 43.112,67 17.783,68 0.64,69 2.744,70 52.012,71 18.519,72 64.303,73 22.74,74 0.772,75 2.953,76 56.359,77 19.32,78 90.077,79 22.716,80 0.864,81 3.057,82 58.548,83 21.225,84 90.802,85 24.33,86 0.984,87 3.39,88 67.832,89 24.988,90 91.058,91 30.626,92 0.992,93 3.657,94 78.207,95 27.665,96 108.547,97 36.149,98 0.999,99 3.37,100 80.076,101 26.5,102 109.721,103 35.017,104 46,105 82,106 0.246,107 0.579,108 0.785,109 0.867,110 0.893,111 0.901,112 3.973,113 0.962,114 -6.51,115 -6.34,116 -5.88,118 43.3,119 3,120 4,124 4,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 2,157 2,162 2,168 16,171 4,172 18,180 19,185 2,186 22,194 13,197 2,198 30,206 18,209 4,210 19,218 23,221 5,222 14,229 29,233 7,234 13,242 21,246 1,247 19,255 18,258 2,259 22,267 14,270 6634,271 35.733,272 35.733,273 35.733,274 35.733,275 35.733,276 31.731,277 36.937,278 21.311,279 36.69,280 28.624,281 28.624,282 28.624,283 28.624,284 28.624,285 22.414,286 45.85,287 10.05,288 30.11,289 4.813,290 2.534,291 1.128,292 0.567,293 0.389,294 0.336,295 4.689,297 1,301 2020,302 4.95,305 183.44,306 570.937,307 136.161,309 150.973,310 382.915,313 2.923,314 53.449,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 111.833,326 918,327 4.777,328 4.004,329 7.189,330 4.378,331 3.436,332 4.518,333 2.443,334 12.683,335 3.249,336 4.527,337 3.732,338 6.824,339 4.182,340 3.193,341 4.144,342 2.373,343 11.272,344 3.158,345 4.361,346 3.681,347 6.687,348 3.958,349 3.013,350 4.001,351 1.23,352 10.738,353 2.836,354 4.239,355 3.606,356 6.376,357 3.855,358 2.904,359 3.838,360 0.795,361 9.708,362 2.758,363 4.086,364 3.226,365 6.247,366 3.711,367 2.741,368 3.586,369 0.521,370 9.199,371 2.644,372 3.688,373 3.152,374 5.751,375 3.35,376 2.373,377 3.013,378 0.286,379 7.574,380 2.297,381 3.655,382 2.949,383 5.624,384 3.322,385 2.36,386 2.91,388 7.211,389 2.263,390 3.622,391 2.737,392 5.463,393 3.268,394 2.333,395 2.825,397 6.635,398 2.174,399 3.419,400 2.567,401 5.029,402 3.033,403 2.076,404 2.653,406 6.066,407 1.971,408 3.279,409 2.363,410 4.977,411 2.817,412 1.87,413 2.535,415 5.296,416 1.766,417 3.15,418 2.139,419 4.792,420 2.713,421 1.795,422 2.351,424 4.911,425 1.635,426 2.885,427 1.983,428 4.639,429 2.638,430 1.679,431 2.034,433 4.489,434 1.601,435 2.855,436 1.853,437 4.185,438 2.491,439 1.544,440 1.979,442 3.696,443 1.457,444 2.817,445 1.838,446 4.122,447 2.443,448 1.468,449 1.928,451 3.385,452 1.409,453 2.795,454 1.809,455 3.908,456 2.35,457 1.414,458 1.857,460 3.346,461 1.286,462 25.181,463 0.484,464 1.165,465 0.022,466 66,467 1.269,468 32,469 0.615,470 34,471 0.654,472 61.041,473 1.174,474 54.619,475 0.607,476 61.889,477 1.19,478 12.756,479 0.245,480 12.594,481 0.242,482 0.114,484 0.349,487 0.634,488 1.23,489 0.653,490 0.985,491 0.542,492 0.919,493 0.805,494 1.081,495 0.727,496 0.879,497 0.6,498 0.854,499 1.111,500 1.003,501 0.907,502 0.867,503 0.93,504 0.811,505 1.329,506 1.119,507 1.085,508 1.029,509 1.448,510 0.937,511 1.316,512 1.055,513 1.16,514 1.068,515 1.342,516 0.982,517 0.836,518 1.141,519 1.078,520 1.13,521 0.807,522 1.135,523 0.734,524 1.047,525 1.116,526 1.109,527 0.729,528 1.134,529 0.896,530 0.974,531 1.018,532 1.01,533 0.846,534 1.014,535 7.5,536 0.481,537 6,538 4.417,539 3.244,540 2.359,541 1.625,542 0.925,543 0.69,544 0.579,545 53050,546 147576,547 2.124,548 42.2,549 2,550 19,552 2,554 5,555 10,558 1.864,559 2,560 3.978,561 -0.746,567 151.063,568 1.678,569 3.958,570 5.364,571 5.925,572 6.103,573 6.156,574 3.48,575 5.378,576 5.665,577 4.232,578 5611.57,579 10.114,580 115335,585 584.267,586 1.37,587 5.637,588 0.129,589 0.006,590 0.073,591 0.047,592 0.032,593 0.023,594 0.016,595 0.01,596 0.009,597 0.008,598 0.353,599 0.17,600 0.38,601 1.456,602 315.107,603 0.075,604 -0.102,605 0.06,606 -0.028,607 0.016,608 -0.004,609 0.079,610 0.002,611 0.11,612 0.086,613 0.062,614 0.083,615 -0.102,616 0.061,617 0.076,618 0.137,619 -0.046,620 0.143,621 -0.154,622 -0.025,623 -0.023,624 0.012,625 -0.13,626 -0.006,627 -0.158,628 0.033,629 -0.134,630 -0.013,631 -0.141,632 -0.047,633 0.067,634 -0.1,635 -0.067,636 -0.098,637 0.004,638 -0.161,639 0.052,640 -0.05,641 -0.086,642 -0.109,643 0.012,644 -0.126,645 -0.011,646 -0.025,647 0.007,648 -0.016,649 0.001,650 0.012,651 1.889,652 7.49,653 0.673,654 78.473,655 1.006,656 1.12,657 5.282,658 27.901,659 0.695,660 4.078,661 4.419,662 4.762,663 5.1,664 5.384,665 5.598,666 5.846,667 6.078,668 6.275,669 6.444,670 9.975,671 0.661,672 736.36,673 4.078,674 5.638,675 6.518,676 7.421,677 8.326,678 9.244,679 10.163,680 11.091,681 12.018,682 12.952,683 7.8,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,713 1,723 1,724 90,726 32,727 2,728 58,730 96,731 39,733 23,734 4,735 8,736 3,739 7,740 13,741 1,745 3,748 2,751 5,753 27,754 12,756 4,761 2,764 2,765 4,772 38,773 10,775 13,776 2,779 7,784 0.571,785 4,795 1,801 2,802 4,803 1,805 1,806 2,819 1,832 4,834 1,836 3,837 1,840 52,846 8,848 2,850 1,851 1,856 1,859 1,861 1,862 4.4,865 2,867 2,869 26,870 17.46,871 11.5,872 5.84,874 5.587,875 1.553,876 0.994,877 11.141,878 15.688,879 4.344,880 4.942,881 5.568,882 6.184,883 6.7,884 7.08,885 7.558,886 7.999,887 8.421,888 8.787,889 0.917,890 94,891 19.31,893 8.317,894 7.698,895 36.981,897 30.75,899 2.198,900 114.278,904 447.302,905 241.112,906 91.32,907 39.149,908 72.509,910 31.278,911 209.835,912 558.959,913 91.32,914 26.476,915 26.659,916 94.762,917 146.009,918 101.942,919 1.358,920 455.037,921 39.149,922 447.302,923 301.155,924 72.509,925 70.426,927 329.591,928 190.22,931 114.899,932 136.144,933 89.26,934 31.278,935 447.302,936 163.829,937 280.261,940 447.302,941 101.779,942 144.356,944 197.954,945 447.302,946 163.829,947 280.261,949 0.577,950 0.348,951 0.199,952 0.11,953 39,954 18,955 0.125,956 12,957 3,958 1.171,959 5.629,960 614.803,961 0.171,962 35,963 294.423,964 1,968 35.989,969 16.098,970 7.45,972 161.93,973 22.359,974 13.216,977 1.649,978 9.194,979 2.102,981 891.392,982 76,987 26.209,990 9.707,991 1.012,994 90.56,995 100.833,996 0.259,997 0.61,998 0.826,999 0.913,1000 0.94,1001 0.948,1002 5.598,1003 2.333,1004 6.506,1005 7.211,1006 5.106,1007 5.631,1008 3.296,1009 7.375,1010 5.011,1011 6.806,1012 2.076,1013 8.095,1014 6.635,1015 4.691,1016 5.407,1017 2.283,1018 8.401,1019 4.546,1020 8.122,1021 1.87,1022 9.793,1023 6.066,1024 6.739,1025 7.82,1026 4.744,1027 11.586,1028 6.562,1029 9.479,1030 1.795,1031 11.557,1032 5.296,1033 7.209,1034 8.485,1035 4.284,1036 13.489,1037 6.982,1038 10.874,1039 1.679,1040 13.364,1041 4.911,1042 8.7,1043 10.335,1044 6.404,1045 16.194,1046 8.442,1047 12.296,1048 1.544,1049 15.201,1050 4.489,1051 9.569,1052 11.413,1053 6.163,1054 18.442,1055 9.262,1056 13.739,1057 1.468,1058 17.059,1059 3.696,1060 10.854,1061 13.037,1062 8.123,1063 20.997,1064 10.514,1065 3.436,1066 1.414,1067 18.933,1068 3.385,1069 11.903,1070 14.314,1071 7.994,1072 23.388,1073 11.514,1074 3.193,1075 12.683,1076 20.819,1077 3.346,1078 13.116,1079 15.842,1080 9.86,1081 25.899,1082 12.691,1083 3.013,1084 11.272,1085 22.715,1086 4.518,1087 14.245,1088 17.216,1089 9.802,1090 28.354,1091 13.772,1092 2.904,1093 10.738,1094 24.618,1095 4.144,1096 15.439,1097 18.707,1098 11.606,1099 30.856,1100 14.925,1101 2.741,1102 9.708,1103 26.528,1104 4.001,1105 16.604,1106 20.13,1107 11.6,1108 33.342,1109 16.043,1110 2.373,1111 9.199,1112 28.444,1113 3.838,1114 17.796,1115 21.609,1116 13.355,1117 35.848,1118 17.191,1119 2.36,1120 7.574,1121 30.364,1122 3.586,1123 18.981,1124 23.058,1125 13.391,1126 38.349,1127 18.329,1128 49615,1129 82947,1130 39.183,1131 62.546,1132 88.68,1133 91.806,1134 91.094,1135 87.597,1136 87.34,1137 112.987,1138 15.297,1139 256.083,1140 83.029,1141 5.725,1142 6.004,1143 7.018,1144 5.545,1145 5.436,1146 7.518,1147 4.816,1148 20.4,1149 5.249,1150 25.728,1151 1.529,1152 1.583,1153 1.571,1154 1.51,1155 1.506,1156 1.948,1157 0.264,1158 4.415,1159 1.432,1160 4.137,1161 4.168,1162 4.33,1163 4.087,1164 7.433,1165 4.059,1166 3.988,1167 4.016,1168 3.999,1169 3.918,1170 7.427,1171 3.919,1172 3.873,1173 3.9,1174 3.958,1175 3.828,1176 5.101,1177 3.809,1178 3.835,1179 3.883,1180 3.819,1181 3.714,1182 5.001,1183 3.72,1184 3.774,1185 3.814,1186 3.745,1187 3.632,1188 4.939,1189 3.651,1190 3.746,1191 3.788,1192 3.629,1193 3.578,1194 4.797,1195 3.577,1196 3.526,1197 3.578,1198 3.456,1199 3.294,1200 4.647,1201 3.299,1202 3.451,1203 3.522,1204 3.385,1205 3.268,1206 4.612,1207 3.281,1208 0.082,1209 0.069,1210 0.124,1211 0.075,1212 0.059,1213 4.777,1214 0.078,1215 4.004,1216 0.042,1217 7.189,1218 0.219,1219 4.378,1220 0.056,1221 3.436,1222 4.518,1223 2.443,1224 12.683,1225 3.249,1226 1.964,1227 1.942,1228 2.047,1229 2.061,1230 1.294,1231 2.057,1232 1.92,1233 1.901,1234 2,1235 1.995,1236 1.279,1237 2.002,1238 1.805,1239 1.77,1240 1.953,1241 1.94,1242 1.143,1243 1.943,1244 1.754,1245 1.719,1246 1.928,1247 1.906,1248 1.099,1249 1.917,1250 1.711,1251 1.662,1252 1.892,1253 1.867,1254 1.039,1255 1.88,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.94,1261 1.846,1262 1.544,1263 1.498,1264 1.8,1265 1.741,1266 0.934,1267 1.758,1268 1.483,1269 1.42,1270 1.722,1271 1.726,1272 0.863,1273 1.732,1274 4.762,1276 6.098,1277 3.045,1278 7.631,1279 5.533,1280 9.259,1281 7.751,1282 10.943,1284 5.769,1285 6.78,1290 3.83,1292 10.79,1294 -0.231,1295 1.892,1300 59.452,1301 151.063,1302 356.207,1303 482.783,1304 533.247,1305 549.247,1306 554.002,1307 108.628,1308 10.102,1309 124.16,1310 152.4,1311 41,1312 13.453,1313 5.044,1314 4.248,1315 77.321,1316 311,1317 426,1318 0.12,1319 366.361,1320 643.24,1321 885.681,1322 455617,1323 1.1,1324 36.191,1325 0.696,1326 0.592,1327 37.045,1328 30.785,1329 25.351,1330 0.437,1331 0.321,1332 17.28,1333 23.688,1334 16.744,1335 13.809,1336 26.047,1337 18.592,1338 22.491,1339 0.274,1340 0.171,1341 23.477,1342 14.048,1343 19.709,1344 0.17,1345 0.092,1346 20.861,1347 10.647,1348 17.267,1349 0.106,1350 0.051,1351 18.667,1352 8.269,1353 14.301,1354 0.066,1355 0.028,1356 15.663,1357 6.068,1358 0.19,1359 165.77,1360 0.16,1361 43.975,1362 0.324,1363 280,1364 829.522,1365 346.869,1366 846.932,1367 1163.99,1368 796,1369 338,1370 837.619,1371 401.523,1372 863.972,1373 1277.71,1374 817,1375 6} {0 CHEMBL167601,1 1.644,2 7.765,3 1.461,4 2.135,5 65.01,6 7.709,7 0.556,8 3.511,9 3.63,10 3.096,11 2.978,12 4.729,13 2.988,14 3.98,15 4.161,16 3.4,17 3.316,18 5.272,19 3.308,20 4.095,21 4.291,22 3.209,23 3.391,24 5.153,25 3.307,26 4.199,27 4.431,28 3.148,29 3.388,30 5.16,31 3.269,32 4.169,33 4.443,34 3.211,35 3.29,36 5.183,37 3.201,38 4.028,39 4.237,40 3.107,41 3.171,42 5.263,43 3.108,44 3.915,45 4.179,46 2.469,47 2.807,48 5.014,49 2.674,50 3.394,51 3.66,52 2.249,53 2.326,54 4.566,55 2.233,56 0.057,57 0.454,58 5.805,59 2.36,60 7.864,61 3.112,62 0.269,63 0.685,64 10.703,65 3.404,66 31.299,67 4.818,68 0.215,69 0.712,70 12.331,71 4.625,72 22.616,73 6.257,74 0.188,75 0.75,76 14.479,77 5.2,78 24.825,79 7.525,80 0.318,81 0.689,82 15.465,83 4.831,84 22.599,85 7.321,86 0.18,87 0.592,88 12.228,89 4.204,90 23.699,91 5.743,92 0.317,93 0.445,94 12.728,95 3.447,96 50.003,97 4.844,98 0.251,99 0.258,100 7.639,101 2.042,102 26.72,103 2.966,104 13,105 24,106 0.313,107 0.698,108 0.867,109 0.892,110 0.892,111 0.892,112 2.907,113 0.863,114 -2.01,115 -2.06,116 -2.05,118 40,123 1,124 1,133 2,140 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 2,169 1,171 1,172 4,175 1,177 1,180 1,181 1,185 1,186 3,191 1,194 2,198 1,199 1,206 1,207 1,209 2,210 3,213 1,215 1,219 1,222 3,227 1,234 1,235 1,246 1,247 1,250 1,260 1,270 313,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.667,277 11.99,278 6.801,279 11.562,280 8.878,281 8.878,282 8.878,283 8.878,284 8.878,285 6.497,286 16.03,287 3.254,288 9.332,289 3.263,290 1.242,291 0.358,292 0.225,293 0.225,294 0.225,295 3.555,299 1,300 1,301 272,302 2.828,305 99.085,313 1.543,314 13.973,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37.5,326 132,327 4.401,328 3.475,329 6.431,330 3.977,331 3.031,332 4.086,333 1.437,334 9.827,335 2.867,336 3.911,337 3.172,338 5.447,339 3.444,340 2.521,341 3.469,342 0.522,343 7.211,344 2.334,345 3.653,346 2.625,347 5.003,348 3.215,349 2.218,350 2.918,352 5.725,353 2.178,354 3.187,355 2.01,356 4.61,357 2.805,358 1.828,359 2.365,361 4.96,362 1.777,363 2.605,364 1.351,365 3.894,366 2.144,367 1.205,368 1.627,370 2.897,371 1.13,372 2.56,373 1.196,374 3.433,375 2.077,376 1.129,377 1.584,379 2.54,380 1.066,381 2.303,382 0.92,383 3.026,384 1.608,385 0.618,386 0.94,388 1.397,389 0.607,390 2.118,391 0.618,392 3,393 1.553,394 0.618,395 0.927,397 1.372,398 0.577,399 1.206,400 0.464,401 2.605,402 0.9,403 -0.068,404 -0.085,406 -0.166,407 -0.065,408 0.616,409 0.136,410 2,411 0.294,412 -0.659,413 -0.784,415 -1.685,416 -0.617,417 0.468,418 -0.479,419 1.913,420 0.011,421 -1,422 -1.198,424 -2,425 -0.941,426 0.091,427 -0.931,428 1.521,429 -0.165,430 -1.107,431 -1.502,433 -2.972,434 -1.109,435 -0.101,436 -1.183,437 1.259,438 -0.475,439 -1.418,440 -1.736,442 -3.365,443 -1.332,444 -0.118,445 -1.557,446 1,447 -0.669,448 -1.618,449 -2.291,451 -4.372,452 -1.475,453 -0.197,454 -1.618,455 1,456 -0.705,457 -1.618,458 -2.427,460 -4.469,461 -1.529,462 7.867,463 0.463,464 0.421,465 0.025,466 22.5,467 1.324,468 11,469 0.647,470 11.5,471 0.676,472 9.838,473 0.579,474 18.533,475 0.618,476 14.679,477 0.863,478 4.881,479 0.287,480 3.283,481 0.193,482 0.148,484 0.292,487 0.861,488 1.615,489 0.767,490 1.189,491 0.73,492 0.995,493 0.76,494 1.018,495 0.861,496 0.827,497 0.369,498 0.826,499 0.877,500 1.018,501 1.188,502 1.147,503 0.772,504 1.215,505 0.66,506 1.261,507 1.071,508 1.278,509 0.589,510 1.264,511 0.473,512 0.689,513 0.666,514 0.724,515 0.432,516 0.724,517 1.068,518 1.204,519 1.047,520 1.273,521 1.081,522 1.177,523 1.597,524 0.799,525 1.314,526 0.893,527 1.796,528 1.034,529 1.172,530 0.567,531 0.94,532 0.617,533 1.646,534 0.738,535 3.5,536 0.04,537 1.778,538 1.139,539 0.56,540 0.493,541 0.289,542 0.041,543 0.081,544 0.055,545 2352,546 7960,547 1.994,548 43.3,550 9,551 1,552 2,553 1,558 1.566,559 1.855,560 2.96,561 -0.198,563 1,564 1,565 1,567 49.327,568 1.644,569 3.665,570 4.548,571 4.682,572 4.682,573 4.682,574 2.419,575 3.617,576 4.054,577 3.127,578 425.218,579 6.844,580 3921.35,582 1,584 1,585 147.207,586 1.447,587 4.01,588 0.194,589 0.01,590 0.074,591 0.06,592 0.033,593 0.026,594 0.018,595 0.006,596 0.013,597 0.009,598 0.444,599 0.5,600 1,601 1.403,602 71.196,603 -0.097,604 -0.417,605 0.032,606 -0.145,607 -0.098,608 -0.056,609 0.072,610 0.15,611 0.02,612 0.121,613 0.254,614 0.084,615 -0.143,616 0.041,617 -0.314,618 -0.135,619 -0.095,620 -0.24,621 -0.036,622 -0.293,623 -0.16,624 -0.273,625 -0.045,626 -0.25,627 0.235,628 0.233,629 0.329,630 0.238,631 0.151,632 0.295,633 -0.093,634 -0.26,635 -0.094,636 -0.284,637 -0.031,638 -0.2,639 -0.316,640 0.006,641 -0.234,642 0.023,643 -0.352,644 -0.074,645 0.156,646 0.222,647 0.171,648 0.298,649 -0.166,650 0.232,651 2.609,652 3.439,653 0.588,654 12.72,655 1.013,656 1.133,657 0.779,658 0.607,659 0.658,660 2.944,661 3.219,662 3.401,663 3.584,664 3.555,665 3.611,666 3.638,667 3.611,668 3.434,669 3.219,670 4.867,671 0.638,672 231.28,673 2.944,674 4.443,675 5.252,676 6.098,677 6.932,678 7.785,679 8.631,680 9.487,681 10.339,682 11.198,683 10,691 2,693 1,699 5,700 1,704 2,705 2,706 10,724 30,726 12,728 18,730 31,731 12,733 7,736 3,739 2,740 2,753 10,754 2,756 2,761 1,763 2,765 1,769 1,772 13,773 3,774 1,775 5,778 1,779 3,784 1,785 2,797 1,801 2,818 1,822 2,830 1,832 2,836 1,840 17,845 1,846 1,862 6.7,864 1,865 1,869 9.167,870 5.55,871 3.806,872 1.55,874 2.157,875 1.368,876 0.929,877 3.445,878 8.018,879 3.258,880 3.818,881 4.327,882 4.823,883 4.943,884 5.27,885 5.612,886 5.897,887 5.987,888 6.099,889 1,890 19,891 6.206,893 2.516,894 8,895 11.575,897 8.922,899 2.5,900 42.5,901 0.001,904 141.253,905 81.544,906 20.584,908 67.828,911 81.544,912 209.081,913 20.584,914 8.396,915 2.106,916 46.952,917 117.684,918 12.846,919 17.285,920 105.94,922 141.253,923 102.128,924 67.828,927 141.253,928 67.828,931 23.57,932 42.82,933 35.738,935 141.253,936 88.412,937 81.544,940 141.253,941 8.529,942 76.813,944 84.614,945 141.253,946 88.412,947 81.544,949 0.572,950 0.311,951 0.157,952 0.074,953 11,954 5,955 0.129,956 4,958 1,959 3,960 109.686,962 10,963 67.487,968 11.674,969 5.017,970 2.854,972 84.614,973 9.237,974 3.976,978 1.954,979 3.916,980 42.683,981 311.209,982 25,987 10.439,989 2.718,991 -0.942,994 30.378,995 33.99,996 0.335,997 0.747,998 0.927,999 0.954,1000 0.954,1001 0.954,1002 4.449,1003 0.618,1004 5.22,1005 1.397,1006 3.892,1007 4.5,1008 1.736,1009 5.964,1010 3.795,1011 5.652,1012 -0.068,1013 6.742,1014 1.372,1015 3.434,1016 4.205,1018 6.756,1019 3.27,1020 6.939,1021 -0.659,1022 8.364,1023 -0.166,1024 5.416,1025 6.642,1026 2.269,1027 9.812,1028 5.213,1029 8.265,1030 -1,1031 10.046,1032 -1.685,1033 5.802,1034 7.241,1036 11.468,1037 5.518,1038 9.623,1039 -1.107,1040 11.769,1041 -2,1042 7.235,1043 9.063,1044 2.925,1045 14.03,1046 6.916,1047 11.004,1048 -1.418,1049 13.52,1050 -2.972,1051 8.001,1052 10.076,1054 16.04,1055 7.601,1056 12.401,1057 -1.618,1058 15.294,1059 -3.365,1060 9.223,1061 11.646,1062 3.619,1063 18.434,1064 8.784,1065 3.031,1066 -1.618,1067 17.083,1068 -4.372,1069 10.166,1070 12.86,1072 20.596,1073 9.653,1074 2.521,1075 9.827,1076 18.886,1077 -4.469,1078 11.308,1079 14.323,1080 4.33,1081 22.926,1082 10.75,1083 2.218,1084 7.211,1085 20.699,1086 4.086,1087 12.334,1088 15.634,1090 25.155,1091 11.709,1092 1.828,1093 5.725,1094 22.521,1095 3.469,1096 13.446,1097 17.055,1098 5.047,1099 27.459,1100 12.772,1101 1.205,1102 4.96,1103 24.35,1104 2.918,1105 14.512,1106 18.412,1108 29.717,1109 13.776,1110 1.129,1111 2.897,1112 26.185,1113 2.365,1114 15.615,1115 19.818,1116 5.769,1117 32.01,1118 14.828,1119 0.618,1120 2.54,1121 28.024,1122 1.627,1123 16.7,1124 21.198,1126 34.283,1127 15.855,1128 2425,1129 4531,1130 11.731,1131 19.733,1132 27.256,1133 26.922,1134 27.019,1135 26.358,1136 26.337,1137 35.834,1138 3.916,1139 71.86,1140 25.071,1141 5.185,1142 5.4,1143 6.045,1144 5.038,1145 5.031,1146 6.807,1147 2.873,1148 16.568,1149 4.81,1150 8.458,1151 1.514,1152 1.496,1153 1.501,1154 1.464,1155 1.463,1156 1.991,1157 0.218,1158 3.992,1159 1.393,1160 4.048,1161 4.101,1162 3.997,1163 3.905,1164 7.476,1165 3.921,1166 3.84,1167 3.902,1168 3.785,1169 3.643,1170 6.351,1171 3.672,1172 3.535,1173 3.545,1174 3.476,1175 3.352,1176 4.967,1177 3.372,1178 3.08,1179 3.186,1180 2.882,1181 2.858,1182 4.763,1183 2.835,1184 3.003,1185 3.06,1186 2.824,1187 2.794,1188 4.074,1189 2.801,1190 2.78,1191 2.828,1192 2.618,1193 2.485,1194 3.785,1195 2.522,1196 2.473,1197 2.572,1198 2.262,1199 2.281,1200 3.648,1201 2.265,1202 2.162,1203 2.274,1204 1.995,1205 1.891,1206 3.332,1207 1.9,1208 0.245,1209 0.193,1210 0.357,1211 0.221,1212 0.168,1213 4.401,1214 0.227,1215 3.475,1216 0.08,1217 6.431,1218 0.546,1219 3.977,1220 0.159,1221 3.031,1222 4.086,1223 1.437,1224 9.827,1225 2.867,1226 1.736,1227 1.686,1228 1.877,1229 1.945,1230 1.08,1231 1.928,1232 1.665,1233 1.626,1234 1.805,1235 1.817,1236 0.898,1237 1.811,1238 1.37,1239 1.307,1240 1.595,1241 1.611,1242 0.652,1243 1.601,1244 1.294,1245 1.258,1246 1.501,1247 1.526,1248 0.506,1249 1.517,1250 1.263,1251 1.189,1252 1.435,1253 1.483,1254 0.396,1255 1.473,1256 0.855,1257 0.777,1258 1.16,1259 1.15,1260 0.205,1261 1.159,1262 0.613,1263 0.556,1264 0.932,1265 0.951,1267 0.965,1268 0.325,1269 0.22,1270 0.721,1271 0.671,1273 0.704,1274 3.611,1276 4.89,1277 3.045,1278 6.326,1279 5.283,1280 7.837,1281 7.248,1282 9.396,1284 1.911,1289 8.571,1290 0.72,1300 19.128,1301 49.327,1302 109.946,1303 136.452,1304 140.452,1305 140.452,1306 140.452,1307 21.775,1308 5.861,1309 60.05,1310 60.05,1311 10,1312 11.751,1313 3.7,1314 3,1315 28.527,1316 49,1317 44,1318 0.296,1319 121.903,1320 204.38,1321 289.203,1322 2084,1324 12.251,1325 0.721,1326 0.556,1327 12.251,1328 9.446,1329 8.165,1330 0.454,1331 0.288,1332 5.075,1333 7.739,1334 4.932,1335 4.133,1336 8.165,1337 5.179,1338 7.314,1339 0.305,1340 0.155,1341 7.314,1342 3.715,1343 5.621,1344 0.194,1345 0.088,1346 5.621,1347 2.565,1348 4.3,1349 0.123,1350 0.046,1351 4.3,1352 1.621,1353 2.754,1354 0.081,1355 0.026,1356 2.754,1357 0.885,1358 0.458,1359 51.877,1360 0.292,1361 17.374,1362 0.824,1363 84,1364 282.821,1365 94.367,1366 272.135,1367 360.4,1368 252,1369 95,1370 256.765,1371 104.707,1372 260.854,1373 370.44,1374 242,1375 5.42} {0 CHEMBL1683214,1 1.411,2 15.711,3 7.629,4 58.199,5 155.899,6 7.85,7 0.585,8 4.252,9 4.364,10 3.867,11 3.904,12 5.394,13 3.859,14 4.737,15 4.901,16 4.189,17 4.256,18 5.849,19 4.186,20 4.982,21 5.181,22 4.198,23 4.372,24 6.028,25 4.266,26 5.02,27 5.261,28 4.099,29 4.28,30 6.047,31 4.175,32 4.883,33 5.066,34 4.17,35 4.279,36 6.023,37 4.21,38 5.023,39 5.214,40 4.243,41 4.425,42 6.093,43 4.332,44 5.169,45 5.396,46 4.276,47 4.514,48 6.179,49 4.397,50 5.154,51 5.372,52 4.212,53 4.505,54 6.15,55 4.364,56 0.037,57 0.827,58 11.733,59 5.594,60 9.577,61 7.402,62 0.248,63 1.374,64 22.059,65 9.296,66 25.947,67 12.534,68 0.215,69 1.712,70 32.298,71 12.618,72 44.009,73 16.81,74 0.336,75 1.774,76 36.75,77 13.43,78 60.087,79 17.754,80 0.251,81 1.559,82 26.808,83 10.765,84 54.69,85 13.775,86 0.23,87 1.781,88 30.726,89 12.98,90 47.293,91 17.107,92 0.214,93 2.032,94 38.038,95 16.33,96 56.453,97 22.287,98 0.225,99 2.011,100 36.941,101 15.969,102 57.593,103 21.785,104 20,105 54,106 0.22,107 0.518,108 0.666,109 0.789,110 0.814,111 0.824,112 3.667,113 0.934,114 -6.39,115 -6.22,116 -5.78,118 50,119 2,124 2,126 1,139 4,140 15,141 5,142 1,143 1,144 1,155 1,168 23,171 1,172 5,175 2,177 2,180 30,186 6,194 25,198 11,203 2,206 17,210 10,215 4,218 19,222 8,227 4,229 27,234 6,239 4,242 32,246 1,247 5,252 2,255 29,259 4,264 1,267 24,270 3544,271 25.67,272 25.67,273 25.67,274 25.67,275 25.67,276 22.199,277 26.985,278 15.641,279 26.024,280 20.31,281 20.31,282 20.31,283 20.31,284 20.31,285 15.094,286 31.026,287 7.565,288 20.918,289 4.634,290 2.718,291 1.763,292 0.974,293 0.811,294 0.75,295 4.364,297 1,301 1276,302 4.416,306 586.275,313 2.47,314 24.89,317 0.5,318 0.67,319 0.67,320 0.4,321 0.5,322 0.67,323 1,324 0.63,325 78.833,326 597,327 4.273,328 3.704,329 6.116,330 3.87,331 2.908,332 3.837,333 1.712,334 9.006,335 2.803,336 4.257,337 3.094,338 5.605,339 3.697,340 2.701,341 3.816,342 0.813,343 7.766,344 2.692,345 4.076,346 3.07,347 5.562,348 3.621,349 2.641,350 3.62,351 0.359,352 7.557,353 2.578,354 3.98,355 2.951,356 5.402,357 3.54,358 2.567,359 3.519,360 0.128,361 7.127,362 2.496,363 3.88,364 2.84,365 5.334,366 3.458,367 2.485,368 3.141,370 6.948,371 2.414,372 3.69,373 2.728,374 5.004,375 3.156,376 2.194,377 2.948,379 5.99,380 2.112,381 3.54,382 2.583,383 4.968,384 3.061,385 2.109,386 2.757,388 5.904,389 2.029,390 3.325,391 2.409,392 4.865,393 2.951,394 1.992,395 2.577,397 5.622,398 1.864,399 3.135,400 2.239,401 4.628,402 2.857,403 1.873,404 2.204,406 4.941,407 1.76,408 3.028,409 1.823,410 3.78,411 2.486,412 1.494,413 2.061,415 3.156,416 1.48,417 2.912,418 1.625,419 3.637,420 2.259,421 1.26,422 1.817,424 2.892,425 1.255,426 2.746,427 1.308,428 3.508,429 2.219,430 1.221,431 1.785,433 2.673,434 1.219,435 2.629,436 1.237,437 3.479,438 2,439 1,440 1.5,442 2.47,443 1,444 2.602,445 1,446 3.414,447 1.988,448 1,449 1.5,451 2.275,452 0.979,453 2.5,454 1,455 3.247,456 1.959,457 1,458 1.27,460 2.136,461 0.956,462 18.748,463 0.493,464 0.817,465 0.022,466 52.25,467 1.375,468 29.5,469 0.776,470 22.75,471 0.599,472 32.257,473 0.849,474 37.652,475 0.57,476 42.816,477 1.127,478 10.56,479 0.278,480 7.881,481 0.207,482 0.109,484 0.261,487 0.678,488 1.112,489 0.672,490 0.896,491 0.61,492 0.861,493 0.68,494 0.977,495 0.774,496 0.874,497 0.546,498 0.898,499 1.1,500 1.106,501 1.048,502 1.067,503 1.021,504 1.067,505 1.444,506 0.88,507 0.9,508 0.823,509 1.554,510 0.833,511 1.594,512 1.05,513 0.833,514 0.904,515 1.775,516 0.927,517 1.183,518 1.053,519 0.833,520 0.989,521 1.337,522 1.013,523 0.738,524 0.992,525 0.706,526 0.95,527 0.834,528 0.949,529 0.711,530 1.09,531 0.891,532 1.112,533 0.795,534 1.146,535 8,536 0.219,537 2.667,538 1.563,539 1.738,540 0.875,541 0.736,542 0.622,543 0.46,544 0.364,545 24541,546 66552,547 2.069,548 42.4,550 20,552 1,553 1,555 6,558 1.79,559 1.966,560 3.88,561 -0.479,567 93.104,568 1.411,569 3.326,570 4.281,571 5.071,572 5.234,573 5.294,574 3.36,575 4.88,576 5.214,577 4.084,578 2870.75,579 9.202,580 50397.8,585 398.93,586 1.267,587 5.192,588 0.195,589 0.005,590 0.049,591 0.03,592 0.036,593 0.017,594 0.013,595 0.011,596 0.009,597 0.008,598 0.373,599 0.33,600 0.75,601 0.894,602 214.335,603 -0.007,604 -0.075,605 0.024,606 -0.009,607 -0.046,608 0.012,609 0.186,610 0.084,611 0.024,612 0.034,613 0.128,614 0.005,615 -0.103,616 -0.086,617 -0.116,618 -0.115,619 -0.103,620 -0.118,621 -0.12,622 0.138,623 0.046,624 0.151,625 -0.102,626 0.145,627 -0.185,628 -0.005,629 -0.058,630 0.011,631 -0.119,632 -0.022,633 -0.119,634 -0.041,635 -0.077,636 -0.056,637 -0.097,638 -0.079,639 0.033,640 -0.028,641 0.074,642 0.028,643 0.095,644 0.049,645 -0.004,646 -0.121,647 -0.08,648 -0.139,649 -0.021,650 -0.156,651 1.789,652 6.121,653 0.632,654 53.884,655 0.992,656 1.107,657 5.161,658 26.634,659 0.716,660 3.738,661 4.007,662 4.174,663 4.382,664 4.595,665 4.554,666 4.673,667 4.796,668 4.92,669 4.956,670 9.01,671 0.674,672 518.09,673 3.738,674 5.252,675 6.057,676 6.897,677 7.716,678 8.557,679 9.384,680 10.226,681 11.057,682 11.9,683 4.5,690 2,693 1,699 16,700 1,704 7,706 24,723 1,724 66,726 27,727 3,728 41,730 69,731 33,733 23,734 6,735 12,739 4,740 4,741 1,744 1,745 2,751 1,752 4,753 24,754 5,756 1,761 1,765 1,772 28,773 4,774 1,775 5,776 1,779 3,784 1,785 1,795 1,802 4,809 4,832 4,836 2,837 1,840 38,846 2,847 1,850 1,851 1,853 2,860 4,861 1,862 1.5,865 1,869 19.333,870 12.626,871 8.444,872 3.965,874 5.976,875 1.753,876 0.984,877 9.466,878 13.907,879 4.078,880 4.625,881 5.173,882 5.705,883 6.272,884 6.462,885 6.91,886 7.305,887 7.759,888 8.09,889 0.909,890 52,891 13.978,893 5.729,894 7.665,895 26.742,897 21.14,899 2.165,900 82.278,904 317.82,905 267.636,906 37.921,907 39.149,908 25.145,911 267.636,912 382.113,913 37.921,914 17.65,915 25.346,916 142.144,917 53.702,918 31.233,919 72.398,920 306.049,921 39.149,922 317.82,923 305.557,924 25.145,925 39.149,927 247.193,928 95.772,931 54.801,932 165.848,933 124.056,935 317.82,936 63.066,937 306.785,940 317.82,941 30.672,942 171.966,943 86.133,944 81.079,945 317.82,946 63.066,947 306.785,949 0.569,950 0.307,951 0.162,952 0.092,953 22,954 10,955 0.072,956 5,958 1,959 4.94,960 346.312,962 24,963 191.421,968 26.869,969 13.387,970 8.719,972 63.066,973 30.734,974 4.253,978 6.042,980 18.011,981 687.67,982 58,987 13.121,991 -0.123,994 65.443,995 73.046,996 0.233,997 0.55,998 0.708,999 0.839,1000 0.866,1001 0.876,1002 5.293,1003 1.992,1004 6.004,1005 5.904,1006 4.691,1007 5.313,1008 2.019,1009 6.703,1010 4.637,1011 6.5,1012 1.873,1013 7.489,1014 5.622,1015 4.111,1016 4.783,1017 1.305,1018 7.322,1019 3.996,1020 7.783,1021 1.494,1022 9.063,1023 4.941,1024 6.184,1025 7.437,1026 2.588,1027 10.349,1028 6.079,1029 9.095,1030 1.26,1031 10.688,1032 3.156,1033 6.365,1034 7.665,1035 2.502,1036 11.747,1037 6.203,1038 10.431,1039 1.221,1040 12.344,1041 2.892,1042 7.899,1043 9.78,1044 3.438,1045 14.261,1046 7.745,1047 11.786,1048 1,1049 14.022,1050 2.673,1051 8.456,1052 10.408,1053 3.65,1054 16.021,1055 8.252,1056 13.155,1057 1,1058 15.716,1059 2.47,1060 9.737,1061 12.233,1062 4.409,1063 18.329,1064 9.533,1065 2.908,1066 1,1067 17.423,1068 2.275,1069 10.501,1070 13.105,1071 4.771,1072 20.279,1073 10.253,1074 2.701,1075 9.006,1076 19.139,1077 2.136,1078 11.653,1079 14.75,1080 5.432,1081 22.5,1082 11.397,1083 2.641,1084 7.766,1085 20.863,1086 3.837,1087 12.534,1088 15.782,1089 5.874,1090 24.554,1091 12.237,1092 2.567,1093 7.557,1094 22.594,1095 3.816,1096 13.621,1097 17.312,1098 6.481,1099 26.741,1100 13.31,1101 2.485,1102 7.127,1103 24.332,1104 3.62,1105 14.569,1106 18.448,1107 6.965,1108 28.852,1109 14.219,1110 2.194,1111 6.948,1112 26.076,1113 3.519,1114 15.625,1115 19.905,1116 7.542,1117 31.03,1118 15.255,1119 2.109,1120 5.99,1121 27.825,1122 3.141,1123 16.611,1124 21.11,1125 8.05,1126 33.173,1127 16.204,1128 23413,1129 38750,1130 27.622,1131 47.228,1132 62.731,1133 61.063,1134 60.642,1135 59.694,1136 59.486,1137 81.404,1138 6.023,1139 158.982,1140 57.8,1141 5.173,1142 5.704,1143 5.918,1144 4.908,1145 4.908,1146 6.837,1147 2.989,1148 15.305,1149 4.803,1150 17.293,1151 1.53,1152 1.489,1153 1.479,1154 1.456,1155 1.451,1156 1.985,1157 0.147,1158 3.878,1159 1.41,1160 4.016,1161 4.045,1162 4.016,1163 3.959,1164 7.429,1165 3.955,1166 3.934,1167 3.956,1168 3.928,1169 3.893,1170 5.024,1171 3.888,1172 3.865,1173 3.895,1174 3.855,1175 3.811,1176 4.989,1177 3.803,1178 3.826,1179 3.861,1180 3.769,1181 3.738,1182 4.822,1183 3.74,1184 3.705,1185 3.77,1186 3.61,1187 3.509,1188 4.753,1189 3.518,1190 3.472,1191 3.534,1192 3.432,1193 3.317,1194 4.522,1195 3.318,1196 3.237,1197 3.257,1198 3.321,1199 3.204,1200 4.39,1201 3.196,1202 3.202,1203 3.224,1204 3.156,1205 3.12,1206 4.303,1207 3.121,1208 0.104,1209 0.09,1210 0.149,1211 0.094,1212 0.071,1213 4.273,1214 0.094,1215 3.704,1216 0.042,1217 6.116,1218 0.22,1219 3.87,1220 0.068,1221 2.908,1222 3.837,1223 1.712,1224 9.006,1225 2.803,1226 1.968,1227 1.946,1228 2.066,1229 2.053,1230 1.225,1231 2.058,1232 1.938,1233 1.917,1234 2.029,1235 1.999,1236 1.129,1237 2.011,1238 1.861,1239 1.838,1240 1.96,1241 1.947,1242 1.094,1243 1.954,1244 1.813,1245 1.778,1246 1.932,1247 1.916,1248 1.052,1249 1.928,1250 1.662,1251 1.592,1252 1.917,1253 1.877,1254 0.933,1255 1.891,1256 1.436,1257 1.382,1258 1.623,1259 1.644,1260 0.788,1261 1.643,1262 1.242,1263 1.224,1264 1.417,1265 1.306,1266 0.534,1267 1.326,1268 1.188,1269 1.162,1270 1.363,1271 1.281,1272 0.469,1273 1.308,1274 4.419,1276 5.7,1278 7.157,1280 8.689,1282 10.259,1284 3.91,1285 5.968,1290 0.886,1291 3.022,1294 0.025,1295 1.803,1299 12.635,1300 44.455,1301 93.104,1302 219.518,1303 282.552,1304 334.665,1305 345.42,1306 349.42,1307 67.469,1308 7.931,1309 45.23,1310 45.23,1311 24,1312 12.466,1313 4.807,1314 4.17,1315 67.448,1316 195,1317 234,1318 0.155,1319 280.69,1320 498.54,1321 676.645,1322 36753,1323 1.5,1324 26.744,1325 0.704,1326 0.583,1327 27.244,1328 22.166,1329 18.441,1330 0.45,1331 0.311,1332 12.338,1333 17.829,1334 11.887,1335 9.991,1336 18.729,1337 12.762,1338 16.42,1339 0.304,1340 0.176,1341 16.829,1342 9.519,1343 12.529,1344 0.196,1345 0.09,1346 12.818,1347 5.747,1348 10.147,1349 0.128,1350 0.049,1351 10.313,1352 3.85,1353 8.246,1354 0.084,1355 0.027,1356 8.482,1357 2.641,1358 0.249,1359 115.834,1360 0.19,1361 35.093,1362 0.41,1363 190,1364 505.562,1365 214.089,1366 542.194,1367 734.09,1368 506,1369 213,1370 513.753,1371 231.08,1372 544.114,1373 777.35,1374 510,1375 4.398} {0 CHEMBL1683215,1 1.411,2 15.711,3 7.2,4 51.844,5 156.271,6 7.85,7 0.585,8 4.252,9 4.364,10 3.867,11 3.904,12 5.395,13 3.859,14 4.737,15 4.902,16 4.187,17 4.259,18 5.843,19 4.189,20 4.981,21 5.178,22 4.199,23 4.376,24 6.03,25 4.269,26 5.026,27 5.268,28 4.099,29 4.282,30 6.052,31 4.176,32 4.882,33 5.064,34 4.167,35 4.284,36 6.016,37 4.213,38 5.027,39 5.217,40 4.243,41 4.433,42 6.095,43 4.337,44 5.18,45 5.411,46 4.276,47 4.516,48 6.185,49 4.397,50 5.148,51 5.363,52 4.213,53 4.501,54 6.146,55 4.361,56 0.037,57 0.827,58 11.733,59 5.594,60 9.902,61 7.402,62 0.255,63 1.374,64 22.096,65 9.287,66 25.246,67 12.514,68 0.205,69 1.705,70 32.076,71 12.666,72 43.662,73 16.875,74 0.339,75 1.784,76 37.074,77 13.543,78 61.362,79 17.922,80 0.25,81 1.551,82 26.75,83 10.82,84 53.483,85 13.854,86 0.214,87 1.776,88 30.734,89 13.205,90 46.715,91 17.439,92 0.227,93 2.061,94 38.782,95 16.489,96 57.64,97 22.524,98 0.182,99 1.988,100 36.457,101 15.894,102 56.084,103 21.678,104 20,105 54,106 0.22,107 0.518,108 0.664,109 0.781,110 0.81,111 0.814,112 3.667,113 0.933,114 -6.39,115 -6.22,116 -5.78,118 50,119 2,124 2,126 1,139 4,140 14,141 6,142 1,143 2,155 1,168 24,171 1,172 4,175 2,177 2,180 31,186 6,194 26,198 11,203 2,206 18,210 9,215 4,218 20,222 8,227 4,229 27,234 8,239 4,242 30,247 6,252 2,255 27,258 1,259 5,264 2,267 24,270 3544,271 25.67,272 25.67,273 25.67,274 25.67,275 25.67,276 22.199,277 26.985,278 15.641,279 26.023,280 20.31,281 20.31,282 20.31,283 20.31,284 20.31,285 15.094,286 31.026,287 7.565,288 20.907,289 4.634,290 2.718,291 1.775,292 1.028,293 0.841,294 0.811,295 4.364,297 1,301 1276,302 4.416,306 586.275,313 2.47,314 24.771,317 0.5,318 0.67,319 0.67,320 0.4,321 0.5,322 0.67,323 1,324 0.63,325 78.833,326 597,327 4.273,328 3.704,329 6.116,330 3.87,331 2.908,332 3.837,333 1.712,334 9.006,335 2.803,336 4.257,337 3.094,338 5.605,339 3.698,340 2.701,341 3.816,342 0.813,343 7.766,344 2.694,345 4.076,346 3.07,347 5.562,348 3.623,349 2.641,350 3.62,351 0.359,352 7.557,353 2.583,354 3.98,355 2.951,356 5.402,357 3.542,358 2.567,359 3.519,360 0.128,361 7.127,362 2.502,363 3.88,364 2.84,365 5.334,366 3.474,367 2.485,368 3.141,370 6.948,371 2.453,372 3.69,373 2.728,374 5.004,375 3.156,376 2.194,377 2.948,379 5.99,380 2.113,381 3.54,382 2.583,383 4.968,384 3.061,385 2.109,386 2.757,388 5.904,389 2.03,390 3.325,391 2.409,392 4.865,393 2.951,394 1.992,395 2.577,397 5.622,398 1.864,399 3.135,400 2.239,401 4.628,402 2.857,403 1.873,404 2.204,406 4.941,407 1.76,408 3.028,409 1.823,410 3.78,411 2.46,412 1.494,413 2.061,415 3.156,416 1.442,417 2.912,418 1.625,419 3.637,420 2.259,421 1.26,422 1.817,424 2.892,425 1.254,426 2.746,427 1.308,428 3.508,429 2.219,430 1.221,431 1.785,433 2.673,434 1.218,435 2.629,436 1.237,437 3.479,438 2,439 1,440 1.5,442 2.47,443 1,444 2.602,445 1,446 3.414,447 1.988,448 1,449 1.5,451 2.275,452 0.979,453 2.5,454 1,455 3.247,456 1.956,457 1,458 1.27,460 2.136,461 0.954,462 18.748,463 0.493,464 0.817,465 0.022,466 52.25,467 1.375,468 29.5,469 0.776,470 22.75,471 0.599,472 32.273,473 0.849,474 37.652,475 0.57,476 42.8,477 1.126,478 10.559,479 0.278,480 7.882,481 0.207,482 0.109,484 0.261,487 0.678,488 1.112,489 0.672,490 0.896,491 0.604,492 0.861,493 0.695,494 0.932,495 0.778,496 0.853,497 0.562,498 0.886,499 1.074,500 1.129,501 1.053,502 1.092,503 1.02,504 1.089,505 1.435,506 0.874,507 0.894,508 0.818,509 1.538,510 0.828,511 1.575,512 1.022,513 0.832,514 0.899,515 1.765,516 0.925,517 1.123,518 1.078,519 0.83,520 1.018,521 1.309,522 1.035,523 0.753,524 0.973,525 0.701,526 0.93,527 0.832,528 0.932,529 0.708,530 1.174,531 0.891,532 1.15,533 0.785,534 1.169,535 8,536 0.219,537 2.667,538 1.563,539 1.738,540 0.875,541 0.736,542 0.622,543 0.46,544 0.364,545 24541,546 66776,547 2.069,548 42.4,550 19,552 2,553 1,555 6,558 1.79,559 1.966,560 3.88,561 -0.479,567 93.104,568 1.411,569 3.327,570 4.269,571 5.016,572 5.203,573 5.234,574 3.36,575 4.88,576 5.214,577 4.084,578 2870.75,579 9.202,580 50397.8,585 398.93,586 1.267,587 5.192,588 0.195,589 0.005,590 0.049,591 0.03,592 0.036,593 0.017,594 0.013,595 0.011,596 0.009,597 0.008,598 0.373,599 0.33,600 0.75,601 0.894,602 214.335,603 -0.007,604 -0.075,605 0.024,606 -0.009,607 -0.04,608 0.012,609 0.17,610 0.129,611 0.019,612 0.056,613 0.111,614 0.017,615 -0.097,616 -0.115,617 -0.126,618 -0.139,619 -0.107,620 -0.14,621 -0.116,622 0.143,623 0.053,624 0.158,625 -0.091,626 0.153,627 -0.187,628 0.015,629 -0.059,630 0.02,631 -0.12,632 -0.018,633 -0.099,634 -0.079,635 -0.077,636 -0.079,637 -0.087,638 -0.095,639 0.03,640 -0.004,641 0.084,642 0.048,643 0.098,644 0.067,645 -0.016,646 -0.211,647 -0.083,648 -0.177,649 -0.015,650 -0.18,651 1.788,652 6.122,653 0.632,654 53.884,655 0.992,656 1.107,657 5.161,658 26.634,659 0.716,660 3.738,661 4.007,662 4.174,663 4.382,664 4.595,665 4.554,666 4.673,667 4.796,668 4.92,669 4.956,670 9.01,671 0.674,672 518.09,673 3.738,674 5.252,675 6.057,676 6.897,677 7.716,678 8.557,679 9.384,680 10.226,681 11.057,682 11.9,683 4.5,690 2,693 1,699 16,700 1,704 7,706 24,723 1,724 66,726 27,727 3,728 41,730 69,731 33,733 23,734 6,735 12,739 4,740 4,741 1,744 1,745 2,751 1,752 4,753 24,754 5,756 1,761 1,765 1,772 28,773 4,774 1,775 5,776 1,779 3,784 1,785 1,795 1,802 4,809 4,832 4,836 2,837 1,840 38,846 2,847 1,850 1,851 1,853 2,860 4,861 1,862 1.5,865 1,869 19.333,870 12.626,871 8.444,872 3.954,874 5.976,875 1.753,876 0.984,877 9.466,878 13.907,879 4.078,880 4.625,881 5.173,882 5.705,883 6.272,884 6.462,885 6.91,886 7.305,887 7.759,888 8.09,889 0.909,890 52,891 13.976,893 5.727,894 7.665,895 26.742,897 21.149,899 2.165,900 82.278,904 317.82,905 267.636,906 37.921,907 39.149,908 25.145,911 267.636,912 382.113,913 37.921,914 17.65,915 25.346,916 132.667,917 65.473,918 40.709,919 72.398,920 294.278,921 39.149,922 317.82,923 305.557,924 25.145,925 39.149,927 247.193,928 95.772,931 61.092,932 159.557,933 124.056,935 317.82,936 63.066,937 306.785,940 317.82,941 31.101,942 171.537,943 86.133,944 81.079,945 317.82,946 63.066,947 306.785,949 0.569,950 0.307,951 0.162,952 0.092,953 22,954 10,955 0.072,956 5,958 1,959 4.94,960 346.312,962 24,963 187.421,968 26.869,969 13.387,970 8.719,972 63.066,973 30.635,974 4.106,978 6.201,980 18.011,981 687.67,982 58,987 13.122,991 -0.121,994 65.443,995 73.046,996 0.233,997 0.55,998 0.706,999 0.83,1000 0.861,1001 0.866,1002 5.293,1003 1.992,1004 6.004,1005 5.904,1006 4.691,1007 5.313,1008 2.019,1009 6.703,1010 4.639,1011 6.5,1012 1.873,1013 7.489,1014 5.622,1015 4.111,1016 4.783,1017 1.305,1018 7.322,1019 4.007,1020 7.783,1021 1.494,1022 9.063,1023 4.941,1024 6.184,1025 7.437,1026 2.588,1027 10.349,1028 6.086,1029 9.095,1030 1.26,1031 10.688,1032 3.156,1033 6.365,1034 7.665,1035 2.502,1036 11.747,1037 6.22,1038 10.431,1039 1.221,1040 12.344,1041 2.892,1042 7.899,1043 9.78,1044 3.438,1045 14.261,1046 7.758,1047 11.786,1048 1,1049 14.022,1050 2.673,1051 8.456,1052 10.408,1053 3.65,1054 16.021,1055 8.273,1056 13.155,1057 1,1058 15.716,1059 2.47,1060 9.737,1061 12.233,1062 4.409,1063 18.329,1064 9.551,1065 2.908,1066 1,1067 17.423,1068 2.275,1069 10.501,1070 13.105,1071 4.771,1072 20.279,1073 10.276,1074 2.701,1075 9.006,1076 19.139,1077 2.136,1078 11.653,1079 14.75,1080 5.432,1081 22.5,1082 11.418,1083 2.641,1084 7.766,1085 20.863,1086 3.837,1087 12.534,1088 15.782,1089 5.874,1090 24.554,1091 12.262,1092 2.567,1093 7.557,1094 22.594,1095 3.816,1096 13.621,1097 17.312,1098 6.481,1099 26.741,1100 13.333,1101 2.485,1102 7.127,1103 24.332,1104 3.62,1105 14.569,1106 18.448,1107 6.965,1108 28.852,1109 14.244,1110 2.194,1111 6.948,1112 26.076,1113 3.519,1114 15.625,1115 19.905,1116 7.542,1117 31.03,1118 15.279,1119 2.109,1120 5.99,1121 27.825,1122 3.141,1123 16.611,1124 21.11,1125 8.05,1126 33.173,1127 16.229,1128 23413,1129 38812,1130 27.622,1131 47.228,1132 62.731,1133 61.063,1134 60.642,1135 59.686,1136 59.486,1137 81.404,1138 6.023,1139 158.982,1140 57.828,1141 5.173,1142 5.704,1143 5.918,1144 4.906,1145 4.908,1146 6.837,1147 2.989,1148 15.305,1149 4.803,1150 17.293,1151 1.53,1152 1.489,1153 1.479,1154 1.456,1155 1.451,1156 1.985,1157 0.147,1158 3.878,1159 1.41,1160 4.016,1161 4.046,1162 4.016,1163 3.961,1164 7.429,1165 3.956,1166 3.935,1167 3.957,1168 3.929,1169 3.896,1170 5.017,1171 3.89,1172 3.866,1173 3.895,1174 3.856,1175 3.812,1176 4.982,1177 3.804,1178 3.826,1179 3.861,1180 3.769,1181 3.742,1182 4.822,1183 3.744,1184 3.705,1185 3.77,1186 3.61,1187 3.509,1188 4.771,1189 3.517,1190 3.471,1191 3.534,1192 3.432,1193 3.313,1194 4.522,1195 3.314,1196 3.233,1197 3.253,1198 3.32,1199 3.193,1200 4.422,1201 3.187,1202 3.194,1203 3.219,1204 3.148,1205 3.107,1206 4.304,1207 3.109,1208 0.104,1209 0.09,1210 0.149,1211 0.094,1212 0.071,1213 4.273,1214 0.094,1215 3.704,1216 0.042,1217 6.116,1218 0.22,1219 3.87,1220 0.068,1221 2.908,1222 3.837,1223 1.712,1224 9.006,1225 2.803,1226 1.969,1227 1.947,1228 2.066,1229 2.053,1230 1.225,1231 2.058,1232 1.94,1233 1.92,1234 2.03,1235 2,1236 1.129,1237 2.012,1238 1.862,1239 1.838,1240 1.96,1241 1.947,1242 1.094,1243 1.954,1244 1.813,1245 1.78,1246 1.928,1247 1.915,1248 1.052,1249 1.927,1250 1.662,1251 1.592,1252 1.917,1253 1.877,1254 0.939,1255 1.891,1256 1.434,1257 1.379,1258 1.622,1259 1.643,1260 0.787,1261 1.643,1262 1.233,1263 1.214,1264 1.417,1265 1.301,1266 0.533,1267 1.32,1268 1.179,1269 1.151,1270 1.358,1271 1.28,1272 0.469,1273 1.308,1274 4.419,1276 5.7,1278 7.157,1280 8.689,1282 10.259,1284 3.912,1285 5.968,1290 0.891,1291 3.024,1294 0.026,1295 1.805,1299 12.708,1300 44.455,1301 93.104,1302 219.573,1303 281.753,1304 331.056,1305 343.42,1306 345.42,1307 67.76,1308 7.931,1309 45.23,1310 45.23,1311 24,1312 12.466,1313 4.807,1314 4.17,1315 67.448,1316 195,1317 234,1318 0.155,1319 280.69,1320 498.54,1321 676.645,1322 36753,1323 1.5,1324 26.744,1325 0.704,1326 0.583,1327 27.244,1328 22.166,1329 18.441,1330 0.45,1331 0.311,1332 12.326,1333 17.826,1334 11.872,1335 9.98,1336 18.729,1337 12.752,1338 16.42,1339 0.304,1340 0.177,1341 16.829,1342 9.546,1343 12.529,1344 0.196,1345 0.09,1346 12.818,1347 5.76,1348 10.147,1349 0.128,1350 0.049,1351 10.313,1352 3.858,1353 8.246,1354 0.084,1355 0.027,1356 8.482,1357 2.644,1358 0.249,1359 115.88,1360 0.19,1361 35.093,1362 0.41,1363 190,1364 505.562,1365 213.756,1366 542.385,1367 733.17,1368 506,1369 213,1370 511.401,1371 230.913,1372 542.713,1373 774.01,1374 508,1375 4.398} {0 CHEMBL1683216,1 1.513,2 16.707,3 7.478,4 55.923,5 157.44,6 7.995,7 0.545,8 4.309,9 4.419,10 3.924,11 3.918,12 5.504,13 3.897,14 4.823,15 4.984,16 4.306,17 4.27,18 6.337,19 4.233,20 5.033,21 5.225,22 4.275,23 4.392,24 6.203,25 4.319,26 5.127,27 5.366,28 4.224,29 4.313,30 6.325,31 4.246,32 4.971,33 5.158,34 4.221,35 4.304,36 6.196,37 4.255,38 5.054,39 5.241,40 4.283,41 4.441,42 6.208,43 4.361,44 5.203,45 5.431,46 4.315,47 4.524,48 6.293,49 4.42,50 5.17,51 5.383,52 4.226,53 4.506,54 6.205,55 4.383,56 0.047,57 1.112,58 11.543,59 6.251,60 20.514,61 7.465,62 0.867,63 2.176,64 23.69,65 10.288,66 140.804,67 12.559,68 0.245,69 2.096,70 29.886,71 13.268,72 49.855,73 16.857,74 0.62,75 2.275,76 39.16,77 14.476,78 116.191,79 17.941,80 0.5,81 1.977,82 29.76,83 11.969,84 96.916,85 13.982,86 0.284,87 2.005,88 30.499,89 13.722,90 66.455,91 17.509,92 0.33,93 2.235,94 38.844,95 16.753,96 80.824,97 22.546,98 0.254,99 2.198,100 35.636,101 16.265,102 59.464,103 21.695,104 43,105 60,106 0.234,107 0.525,108 0.661,109 0.772,110 0.808,111 0.813,112 3.741,113 0.887,114 -6.66,115 -6.48,116 -6.01,118 49.3,119 2,124 2,126 1,131 1,139 4,140 14,141 7,143 2,155 1,168 26,171 1,172 4,175 2,177 2,180 31,186 6,194 25,198 11,203 2,206 18,210 9,215 4,218 20,222 8,227 4,229 27,234 8,239 4,242 31,247 6,252 2,255 27,258 1,259 5,264 2,267 23,270 4297,271 27.142,272 27.142,273 27.142,274 27.142,275 27.142,276 23.762,277 29.838,278 16.272,279 27.61,280 21.784,281 21.784,282 21.784,283 21.784,284 21.784,285 16.632,286 34.539,287 7.833,288 22.591,289 4.595,290 2.708,291 1.825,292 1.111,293 0.873,294 0.844,295 4.433,301 1452,302 5.05,306 642.364,313 2.71,314 48.638,317 0.5,318 0.67,319 0.67,320 0.6,321 0.5,322 0.67,323 1,324 0.66,325 89,326 685,327 4.446,328 4.46,329 7.111,330 4.171,331 3.313,332 3.899,333 3.825,334 11.657,335 2.882,336 4.264,337 3.704,338 6.116,339 3.87,340 2.908,341 3.818,342 1.712,343 9.006,344 2.802,345 4.239,346 3.077,347 5.604,348 3.693,349 2.695,350 3.742,351 0.813,352 7.765,353 2.688,354 4.057,355 3.065,356 5.561,357 3.606,358 2.621,359 3.52,360 0.359,361 7.554,362 2.565,363 3.936,364 2.864,365 5.349,366 3.478,367 2.489,368 3.31,369 0.128,370 6.992,371 2.459,372 3.847,373 2.815,374 5.334,375 3.447,376 2.464,377 3.116,379 6.945,380 2.398,381 3.54,382 2.606,383 4.993,384 3.143,385 2.174,386 2.76,388 5.953,389 2.106,390 3.504,391 2.419,392 4.959,393 3.024,394 2.029,395 2.705,397 5.881,398 2.017,399 3.156,400 2.239,401 4.631,402 2.873,403 1.886,404 2.206,406 4.948,407 1.854,408 3.083,409 2.025,410 4.578,411 2.549,412 1.619,413 2.141,415 4.689,416 1.46,417 3.004,418 1.82,419 3.78,420 2.46,421 1.494,422 2.049,424 3.156,425 1.442,426 2.787,427 1.625,428 3.637,429 2.256,430 1.258,431 1.794,433 2.891,434 1.251,435 2.746,436 1.304,437 3.508,438 2.217,439 1.219,440 1.784,442 2.672,443 1.216,444 2.617,445 1.235,446 3.479,447 2,448 1,449 1.5,451 2.47,452 1,453 2.602,454 1,455 3.414,456 1.988,457 1,458 1.5,460 2.275,461 0.979,462 19.39,463 0.473,464 1.106,465 0.027,466 54.25,467 1.323,468 29.5,469 0.72,470 24.75,471 0.604,472 35.78,473 0.873,474 42.41,475 0.615,476 49.139,477 1.199,478 11.165,479 0.272,480 8.487,481 0.207,482 0.113,483 0.026,484 0.253,485 3,487 0.552,488 0.948,489 0.699,490 0.962,491 0.574,492 0.89,493 0.419,494 0.714,495 0.78,496 0.871,497 0.379,498 0.9,499 0.64,500 0.957,501 0.952,502 1.123,503 0.594,504 1.115,505 1.122,506 0.878,507 0.962,508 0.828,509 1.097,510 0.842,511 1.176,512 0.86,513 1.092,514 0.897,515 1.182,516 0.949,517 0.578,518 0.778,519 0.945,520 1.049,521 0.561,522 1.08,523 0.411,524 0.695,525 0.801,526 0.958,527 0.377,528 0.975,529 0.382,530 0.815,531 0.982,532 1.174,533 0.396,534 1.22,535 10,536 0.302,537 3.556,538 2.063,539 1.858,540 1.174,541 0.818,542 0.653,543 0.558,544 0.424,545 30316,546 95735,547 2.029,548 40.6,550 19,552 2,553 1,555 6,558 1.806,559 1.9,560 3.961,561 -0.449,567 104.399,568 1.513,569 3.4,570 4.283,571 4.998,572 5.235,573 5.264,574 3.489,575 4.735,576 5.324,577 4.211,578 3453.25,579 9.413,580 64799.3,585 421.488,586 1.485,587 5.283,588 0.227,589 0.006,590 0.059,591 0.036,592 0.034,593 0.021,594 0.014,595 0.011,596 0.01,597 0.008,598 0.426,599 0.33,600 0.75,601 1.01,602 237.532,603 -0.017,604 -0.052,605 0.026,606 -0.009,607 -0.081,608 0.012,609 0.448,610 0.301,611 0.085,612 0.082,613 0.424,614 0.015,615 -0.019,616 -0.142,617 -0.074,618 -0.166,619 0.001,620 -0.142,621 -0.108,622 0.034,623 0.07,624 0.14,625 -0.071,626 0.151,627 -0.183,628 0.062,629 -0.158,630 0.056,631 -0.16,632 -0.015,633 -0.033,634 -0.058,635 -0.086,636 -0.091,637 0.008,638 -0.1,639 0.044,640 -0.026,641 0.11,642 0.022,643 0.094,644 0.067,645 0.025,646 -0.132,647 -0.104,648 -0.196,649 0.013,650 -0.19,651 5.636,652 6.124,653 0.585,654 62.025,655 1.008,656 1.124,657 5.432,658 29.503,659 0.695,660 3.807,661 4.111,662 4.263,663 4.454,664 4.654,665 4.673,666 4.779,667 4.844,668 5.004,669 5.037,670 9.764,671 0.671,672 551.65,673 3.807,674 5.342,675 6.151,676 7.006,677 7.829,678 8.685,679 9.515,680 10.371,681 11.205,682 12.061,683 4.3,690 2,693 1,699 16,700 1,704 7,706 24,724 69,726 27,727 3,728 44,730 72,731 34,733 23,734 6,735 12,739 4,740 4,744 1,745 3,750 1,751 1,752 4,753 24,754 6,756 1,761 1,765 1,770 3,772 28,773 7,774 1,775 7,779 3,784 1,785 1,795 1,802 4,809 4,832 4,836 2,838 3,840 41,846 2,847 1,850 1,851 1,852 1,853 2,860 4,861 3,862 1.4,865 1,869 21.583,870 13.162,871 8.944,872 4.088,874 6.093,875 1.748,876 0.982,877 9.731,878 14.24,879 4.127,880 4.682,881 5.223,882 5.749,883 6.309,884 6.538,885 7.01,886 7.345,887 7.834,888 8.17,889 1,890 58,891 15.536,893 6.876,894 8.022,895 28.204,897 22.408,899 2.522,900 103.417,904 317.82,905 275.081,906 37.921,908 25.145,909 44.88,911 275.081,912 342.965,913 82.801,914 17.65,915 25.346,916 132.667,917 65.473,918 85.274,919 72.398,920 294.278,921 7.76,922 317.82,923 313.001,924 70.025,927 247.193,928 140.652,931 68.851,932 159.242,933 84.908,935 362.7,936 63.066,937 275.081,940 325.579,941 30.786,942 171.537,943 86.133,944 86.811,945 317.82,946 107.946,947 275.081,949 0.58,950 0.309,951 0.157,952 0.087,953 25,954 12,955 0.069,956 5,958 1,959 5.113,960 384.396,962 24,963 208.905,968 29.323,969 13.606,970 9.2,972 107.946,973 27.09,974 4.082,978 3.909,980 18.011,981 700.846,982 61,987 13.124,991 -0.201,994 69.541,995 77.536,996 0.248,997 0.557,998 0.701,999 0.818,1000 0.857,1001 0.862,1002 5.366,1003 2.029,1004 6.142,1005 5.953,1006 4.796,1007 5.371,1008 3.309,1009 6.903,1010 4.727,1011 6.59,1012 1.886,1013 7.676,1014 5.881,1015 4.443,1016 4.966,1017 3.956,1018 7.881,1019 4.241,1020 7.893,1021 1.619,1022 9.315,1023 4.948,1024 6.385,1025 7.505,1026 5.473,1027 10.844,1028 6.22,1029 9.226,1030 1.494,1031 11.022,1032 4.689,1033 6.815,1034 7.836,1035 6.703,1036 12.679,1037 6.481,1038 10.585,1039 1.258,1040 12.776,1041 3.156,1042 8.267,1043 9.871,1044 8.067,1045 15.236,1046 7.951,1047 11.964,1048 1.219,1049 14.565,1050 2.891,1051 9.066,1052 10.581,1053 9.392,1054 17.436,1055 8.57,1056 13.357,1057 1,1058 16.384,1059 2.672,1060 10.326,1061 12.348,1062 10.736,1063 19.892,1064 9.809,1065 3.313,1066 1,1067 18.226,1068 2.47,1069 11.309,1070 13.286,1071 12.075,1072 22.243,1073 10.616,1074 2.908,1075 11.657,1076 20.088,1077 2.275,1078 12.497,1079 14.892,1080 13.417,1081 24.682,1082 11.742,1083 2.695,1084 9.006,1085 21.967,1086 3.899,1087 13.575,1088 15.974,1089 14.758,1090 27.093,1091 12.649,1092 2.621,1093 7.765,1094 23.86,1095 3.818,1096 14.741,1097 17.478,1098 16.1,1099 29.535,1100 13.721,1101 2.489,1102 7.554,1103 25.766,1104 3.742,1105 15.867,1106 18.654,1107 17.441,1108 31.971,1109 14.684,1110 2.464,1111 6.992,1112 27.681,1113 3.52,1114 17.032,1115 20.095,1116 18.783,1117 34.418,1118 15.731,1119 2.174,1120 6.945,1121 29.605,1122 3.31,1123 18.185,1124 21.331,1125 20.124,1126 36.864,1127 16.724,1128 29146,1129 52201,1130 29.008,1131 47.944,1132 68.428,1133 65.423,1134 65.433,1135 65.098,1136 64.841,1137 86.78,1138 13.673,1139 179.905,1140 62.63,1141 5.346,1142 6.46,1143 6.913,1144 5.207,1145 5.313,1146 6.899,1147 5.335,1148 18.533,1149 4.882,1150 22.566,1151 1.555,1152 1.487,1153 1.487,1154 1.479,1155 1.474,1156 1.972,1157 0.311,1158 4.089,1159 1.423,1160 4.022,1161 4.051,1162 3.972,1163 3.964,1164 8.513,1165 3.961,1166 3.944,1167 3.967,1168 3.9,1169 3.897,1170 7.999,1171 3.894,1172 3.886,1173 3.916,1174 3.834,1175 3.82,1176 7.999,1177 3.818,1178 3.828,1179 3.865,1180 3.767,1181 3.742,1182 7.429,1183 3.744,1184 3.706,1185 3.77,1186 3.609,1187 3.51,1188 5.002,1189 3.518,1190 3.478,1191 3.539,1192 3.415,1193 3.322,1194 4.929,1195 3.327,1196 3.378,1197 3.412,1198 3.324,1199 3.221,1200 4.772,1201 3.234,1202 3.204,1203 3.233,1204 3.15,1205 3.117,1206 4.668,1207 3.123,1208 0.101,1209 0.101,1210 0.162,1211 0.095,1212 0.075,1213 4.446,1214 0.089,1215 4.46,1216 0.087,1217 7.111,1218 0.265,1219 4.171,1220 0.066,1221 3.313,1222 3.899,1223 3.825,1224 11.657,1225 2.882,1226 1.972,1227 1.95,1228 2.068,1229 2.054,1230 1.225,1231 2.059,1232 1.944,1233 1.923,1234 2.035,1235 2.012,1236 1.132,1237 2.019,1238 1.877,1239 1.853,1240 1.982,1241 1.969,1242 1.095,1243 1.972,1244 1.814,1245 1.78,1246 1.929,1247 1.924,1248 1.088,1249 1.93,1250 1.662,1251 1.592,1252 1.917,1253 1.878,1254 0.939,1255 1.892,1256 1.437,1257 1.384,1258 1.623,1259 1.646,1260 0.787,1261 1.644,1262 1.275,1263 1.254,1264 1.417,1265 1.469,1266 0.534,1267 1.399,1268 1.193,1269 1.163,1270 1.368,1271 1.294,1272 0.469,1273 1.308,1274 4.489,1276 5.796,1278 7.276,1280 8.83,1282 10.42,1284 3.81,1286 38.476,1290 0.697,1291 2.965,1294 -0.039,1295 1.718,1296 -4.386,1299 12.173,1300 46.304,1301 104.399,1302 234.622,1303 295.556,1304 344.859,1305 361.224,1306 363.224,1307 98.03,1308 8.148,1309 45.23,1310 45.23,1311 24,1312 12.619,1313 4.807,1314 4.17,1315 76.14,1316 231,1317 248,1318 0.149,1319 285.544,1320 518.84,1321 688.488,1322 48840,1323 4.3,1324 29.244,1325 0.713,1326 0.553,1327 26.744,1328 22.666,1329 19.652,1330 0.447,1331 0.296,1332 12.848,1333 19.05,1334 12.479,1335 10.442,1336 18.441,1337 13.002,1338 18.378,1339 0.306,1340 0.161,1341 16.42,1342 9.678,1343 13.465,1344 0.192,1345 0.084,1346 12.529,1347 5.876,1348 10.846,1349 0.128,1350 0.046,1351 10.147,1352 3.941,1353 8.511,1354 0.082,1355 0.025,1356 8.246,1357 2.625,1358 0.242,1359 122.223,1360 0.186,1361 37.394,1362 0.39,1363 208,1364 755.692,1365 233.254,1366 668.803,1367 881.85,1368 620,1369 234,1370 618.538,1371 252.631,1372 621.021,1373 909.37,1374 580,1375 4.398} {0 CHEMBL1683217,1 1.411,2 15.711,3 7.2,4 51.844,5 156.271,6 7.85,7 0.585,8 4.252,9 4.364,10 3.867,11 3.904,12 5.395,13 3.859,14 4.737,15 4.902,16 4.187,17 4.259,18 5.844,19 4.189,20 4.981,21 5.178,22 4.197,23 4.379,24 6.024,25 4.272,26 5.026,27 5.265,28 4.1,29 4.288,30 6.054,31 4.18,32 4.889,33 5.073,34 4.167,35 4.286,36 6.02,37 4.214,38 5.026,39 5.215,40 4.241,41 4.437,42 6.088,43 4.341,44 5.184,45 5.413,46 4.277,47 4.523,48 6.186,49 4.402,50 5.159,51 5.378,52 4.214,53 4.502,54 6.152,55 4.362,56 0.037,57 0.827,58 11.733,59 5.594,60 9.902,61 7.402,62 0.255,63 1.374,64 22.096,65 9.287,66 25.571,67 12.514,68 0.212,69 1.704,70 32.113,71 12.656,72 42.961,73 16.855,74 0.329,75 1.777,76 36.852,77 13.591,78 61.015,79 17.987,80 0.252,81 1.561,82 27.075,83 10.932,84 54.758,85 14.023,86 0.213,87 1.768,88 30.676,89 13.26,90 45.508,91 17.518,92 0.211,93 2.056,94 38.79,95 16.714,96 57.062,97 22.856,98 0.195,99 2.016,100 37.201,101 16.053,102 57.27,103 21.915,104 20,105 54,106 0.22,107 0.518,108 0.656,109 0.763,110 0.786,111 0.791,112 3.667,113 0.933,114 -6.39,115 -6.22,116 -5.78,118 50,119 2,124 2,126 1,139 4,140 14,141 6,142 1,143 2,155 1,168 24,171 1,172 4,175 2,177 2,180 32,186 5,194 26,198 11,203 2,206 18,210 9,215 4,218 21,222 7,227 4,229 27,234 8,239 4,242 29,247 8,252 2,255 26,259 5,264 2,267 24,270 3544,271 25.67,272 25.67,273 25.67,274 25.67,275 25.67,276 22.199,277 26.985,278 15.641,279 26.031,280 20.31,281 20.31,282 20.31,283 20.31,284 20.31,285 15.094,286 31.026,287 7.565,288 20.913,289 4.634,290 2.718,291 1.83,292 1.144,293 0.993,294 0.962,295 4.364,297 1,301 1276,302 4.416,306 586.275,313 2.47,314 24.708,317 0.5,318 0.67,319 0.67,320 0.4,321 0.5,322 0.67,323 1,324 0.63,325 78.833,326 597,327 4.273,328 3.704,329 6.116,330 3.87,331 2.908,332 3.837,333 1.712,334 9.006,335 2.804,336 4.257,337 3.094,338 5.605,339 3.698,340 2.701,341 3.816,342 0.813,343 7.766,344 2.694,345 4.076,346 3.07,347 5.562,348 3.623,349 2.641,350 3.62,351 0.359,352 7.557,353 2.585,354 3.98,355 2.951,356 5.402,357 3.542,358 2.567,359 3.519,360 0.128,361 7.127,362 2.504,363 3.88,364 2.84,365 5.334,366 3.477,367 2.485,368 3.141,370 6.948,371 2.459,372 3.69,373 2.728,374 5.004,375 3.156,376 2.194,377 2.948,379 5.99,380 2.113,381 3.54,382 2.583,383 4.968,384 3.061,385 2.109,386 2.757,388 5.904,389 2.03,390 3.325,391 2.409,392 4.865,393 2.951,394 1.992,395 2.577,397 5.622,398 1.864,399 3.135,400 2.239,401 4.628,402 2.857,403 1.873,404 2.204,406 4.941,407 1.76,408 3.028,409 1.823,410 3.78,411 2.438,412 1.494,413 2.061,415 3.156,416 1.408,417 2.912,418 1.625,419 3.637,420 2.258,421 1.26,422 1.817,424 2.892,425 1.253,426 2.746,427 1.308,428 3.508,429 2.218,430 1.221,431 1.785,433 2.673,434 1.216,435 2.629,436 1.237,437 3.479,438 2,439 1,440 1.5,442 2.47,443 1,444 2.602,445 1,446 3.414,447 1.988,448 1,449 1.5,451 2.275,452 0.983,453 2.5,454 1,455 3.247,456 1.984,457 1,458 1.27,460 2.136,461 0.979,462 18.748,463 0.493,464 0.817,465 0.022,466 52.25,467 1.375,468 29.5,469 0.776,470 22.75,471 0.599,472 32.287,473 0.85,474 37.652,475 0.57,476 42.787,477 1.126,478 10.559,479 0.278,480 7.882,481 0.207,482 0.109,484 0.261,487 0.678,488 1.112,489 0.672,490 0.896,491 0.604,492 0.861,493 0.695,494 0.932,495 0.778,496 0.853,497 0.559,498 0.886,499 1.086,500 1.094,501 1.057,502 1.076,503 1.033,504 1.08,505 1.41,506 0.896,507 0.9,508 0.842,509 1.537,510 0.849,511 1.563,512 1.015,513 0.826,514 0.892,515 1.744,516 0.918,517 1.107,518 1.055,519 0.829,520 1.013,521 1.3,522 1.034,523 0.705,524 0.994,525 0.699,526 0.954,527 0.811,528 0.951,529 0.724,530 1.152,531 0.884,532 1.127,533 0.784,534 1.149,535 8,536 0.219,537 2.667,538 1.563,539 1.738,540 0.875,541 0.736,542 0.622,543 0.46,544 0.364,545 24541,546 67000,547 2.069,548 42.4,550 19,552 2,553 1,555 6,558 1.79,559 1.966,560 3.88,561 -0.479,567 93.104,568 1.411,569 3.327,570 4.214,571 4.9,572 5.052,573 5.082,574 3.36,575 4.88,576 5.214,577 4.084,578 2870.75,579 9.202,580 50397.8,585 398.93,586 1.267,587 5.192,588 0.195,589 0.005,590 0.049,591 0.03,592 0.036,593 0.017,594 0.013,595 0.011,596 0.009,597 0.008,598 0.373,599 0.33,600 0.75,601 0.894,602 214.335,603 -0.007,604 -0.075,605 0.024,606 -0.009,607 -0.04,608 0.012,609 0.17,610 0.129,611 0.019,612 0.056,613 0.115,614 0.017,615 -0.109,616 -0.08,617 -0.129,618 -0.122,619 -0.121,620 -0.13,621 -0.11,622 0.115,623 0.044,624 0.135,625 -0.095,626 0.132,627 -0.182,628 0.022,629 -0.051,630 0.029,631 -0.108,632 -0.007,633 -0.1,634 -0.062,635 -0.078,636 -0.072,637 -0.088,638 -0.091,639 0.046,640 -0.036,641 0.083,642 0.027,643 0.106,644 0.053,645 -0.019,646 -0.184,647 -0.071,648 -0.154,649 -0.011,650 -0.159,651 1.786,652 6.123,653 0.632,654 53.884,655 0.992,656 1.107,657 5.161,658 26.634,659 0.716,660 3.738,661 4.007,662 4.174,663 4.382,664 4.595,665 4.554,666 4.673,667 4.796,668 4.92,669 4.956,670 9.01,671 0.674,672 518.09,673 3.738,674 5.252,675 6.057,676 6.897,677 7.716,678 8.557,679 9.384,680 10.226,681 11.057,682 11.9,683 4.5,690 2,693 1,699 16,700 1,704 7,706 24,723 1,724 66,726 27,727 3,728 41,730 69,731 33,733 23,734 6,735 12,739 4,740 4,741 1,744 1,745 2,751 1,752 4,753 24,754 5,756 1,761 1,765 1,772 28,773 4,774 1,775 5,776 1,779 3,784 1,785 1,795 1,802 4,809 4,832 4,836 2,837 1,840 38,846 2,847 1,850 1,851 1,853 2,860 4,861 1,862 1.5,865 1,869 19.333,870 12.626,871 8.444,872 3.954,874 5.976,875 1.753,876 0.984,877 9.466,878 13.907,879 4.078,880 4.625,881 5.173,882 5.705,883 6.272,884 6.462,885 6.91,886 7.305,887 7.759,888 8.09,889 0.909,890 52,891 13.975,893 5.725,894 7.665,895 26.742,897 21.149,899 2.165,900 82.278,904 317.82,905 267.636,906 37.921,907 39.149,908 25.145,911 267.636,912 382.113,913 37.921,914 17.65,915 25.346,916 132.667,917 65.473,918 40.709,919 72.398,920 294.278,921 39.149,922 317.82,923 305.557,924 25.145,925 39.149,927 247.193,928 95.772,931 61.092,932 159.557,933 124.056,935 317.82,936 63.066,937 306.785,940 317.82,941 31.101,942 171.537,943 86.133,944 81.079,945 317.82,946 63.066,947 306.785,949 0.569,950 0.307,951 0.162,952 0.092,953 22,954 10,955 0.072,956 5,958 1,959 4.94,960 346.312,962 24,963 189.421,968 26.869,969 13.387,970 8.719,972 63.066,973 30.605,974 4.028,978 6.262,980 18.011,981 687.67,982 58,987 13.123,991 -0.12,994 65.443,995 73.046,996 0.233,997 0.55,998 0.697,999 0.811,1000 0.836,1001 0.841,1002 5.293,1003 1.992,1004 6.004,1005 5.904,1006 4.691,1007 5.313,1008 2.019,1009 6.703,1010 4.639,1011 6.5,1012 1.873,1013 7.489,1014 5.622,1015 4.111,1016 4.783,1017 1.305,1018 7.322,1019 4.007,1020 7.783,1021 1.494,1022 9.063,1023 4.941,1024 6.184,1025 7.437,1026 2.588,1027 10.349,1028 6.087,1029 9.095,1030 1.26,1031 10.688,1032 3.156,1033 6.365,1034 7.665,1035 2.502,1036 11.747,1037 6.222,1038 10.431,1039 1.221,1040 12.344,1041 2.892,1042 7.899,1043 9.78,1044 3.438,1045 14.261,1046 7.76,1047 11.786,1048 1,1049 14.022,1050 2.673,1051 8.456,1052 10.408,1053 3.65,1054 16.021,1055 8.276,1056 13.155,1057 1,1058 15.716,1059 2.47,1060 9.737,1061 12.233,1062 4.409,1063 18.329,1064 9.554,1065 2.908,1066 1,1067 17.423,1068 2.275,1069 10.501,1070 13.105,1071 4.771,1072 20.279,1073 10.28,1074 2.701,1075 9.006,1076 19.139,1077 2.136,1078 11.653,1079 14.75,1080 5.432,1081 22.5,1082 11.422,1083 2.641,1084 7.766,1085 20.863,1086 3.837,1087 12.534,1088 15.782,1089 5.874,1090 24.554,1091 12.266,1092 2.567,1093 7.557,1094 22.594,1095 3.816,1096 13.621,1097 17.312,1098 6.481,1099 26.741,1100 13.337,1101 2.485,1102 7.127,1103 24.332,1104 3.62,1105 14.569,1106 18.448,1107 6.965,1108 28.852,1109 14.249,1110 2.194,1111 6.948,1112 26.076,1113 3.519,1114 15.625,1115 19.905,1116 7.542,1117 31.03,1118 15.284,1119 2.109,1120 5.99,1121 27.825,1122 3.141,1123 16.611,1124 21.11,1125 8.05,1126 33.173,1127 16.234,1128 23413,1129 38876,1130 27.622,1131 47.228,1132 62.731,1133 61.063,1134 60.642,1135 59.69,1136 59.486,1137 81.404,1138 6.023,1139 158.982,1140 57.824,1141 5.173,1142 5.704,1143 5.918,1144 4.905,1145 4.908,1146 6.837,1147 2.989,1148 15.305,1149 4.804,1150 17.293,1151 1.53,1152 1.489,1153 1.479,1154 1.456,1155 1.451,1156 1.985,1157 0.147,1158 3.878,1159 1.41,1160 4.016,1161 4.046,1162 4.016,1163 3.961,1164 7.429,1165 3.957,1166 3.935,1167 3.957,1168 3.93,1169 3.896,1170 5.015,1171 3.891,1172 3.866,1173 3.895,1174 3.856,1175 3.812,1176 4.98,1177 3.804,1178 3.826,1179 3.86,1180 3.769,1181 3.744,1182 4.822,1183 3.745,1184 3.705,1185 3.77,1186 3.61,1187 3.509,1188 4.778,1189 3.517,1190 3.47,1191 3.534,1192 3.432,1193 3.31,1194 4.523,1195 3.313,1196 3.23,1197 3.249,1198 3.32,1199 3.185,1200 4.437,1201 3.181,1202 3.182,1203 3.21,1204 3.139,1205 3.086,1206 4.305,1207 3.091,1208 0.104,1209 0.09,1210 0.149,1211 0.094,1212 0.071,1213 4.273,1214 0.094,1215 3.704,1216 0.042,1217 6.116,1218 0.22,1219 3.87,1220 0.068,1221 2.908,1222 3.837,1223 1.712,1224 9.006,1225 2.804,1226 1.969,1227 1.947,1228 2.067,1229 2.053,1230 1.225,1231 2.058,1232 1.941,1233 1.921,1234 2.031,1235 2,1236 1.129,1237 2.012,1238 1.862,1239 1.839,1240 1.96,1241 1.947,1242 1.094,1243 1.954,1244 1.814,1245 1.781,1246 1.927,1247 1.915,1248 1.052,1249 1.926,1250 1.662,1251 1.592,1252 1.916,1253 1.877,1254 0.942,1255 1.891,1256 1.433,1257 1.377,1258 1.621,1259 1.643,1260 0.786,1261 1.642,1262 1.225,1263 1.206,1264 1.417,1265 1.294,1266 0.533,1267 1.313,1268 1.159,1269 1.129,1270 1.35,1271 1.274,1272 0.469,1273 1.308,1274 4.419,1276 5.7,1278 7.157,1280 8.689,1282 10.259,1284 3.913,1285 5.969,1290 0.895,1291 3.025,1294 0.027,1295 1.807,1299 12.743,1300 44.455,1301 93.104,1302 219.573,1303 278.117,1304 323.42,1305 333.42,1306 335.42,1307 67.587,1308 7.931,1309 45.23,1310 45.23,1311 24,1312 12.466,1313 4.807,1314 4.17,1315 67.448,1316 195,1317 234,1318 0.155,1319 280.69,1320 498.54,1321 676.645,1322 36753,1323 1.5,1324 26.744,1325 0.704,1326 0.583,1327 27.244,1328 22.166,1329 18.441,1330 0.45,1331 0.311,1332 12.326,1333 17.822,1334 11.873,1335 9.978,1336 18.729,1337 12.752,1338 16.42,1339 0.304,1340 0.177,1341 16.829,1342 9.54,1343 12.529,1344 0.196,1345 0.09,1346 12.818,1347 5.779,1348 10.147,1349 0.128,1350 0.049,1351 10.313,1352 3.857,1353 8.246,1354 0.084,1355 0.027,1356 8.482,1357 2.643,1358 0.249,1359 115.88,1360 0.19,1361 35.093,1362 0.41,1363 190,1364 505.562,1365 213.756,1366 542.254,1367 733.13,1368 506,1369 213,1370 511.401,1371 230.747,1372 542.417,1373 773.57,1374 508,1375 4.398} {0 CHEMBL169331,1 1.606,2 7.889,3 1.616,4 2.612,5 69.414,6 7.434,7 0.526,8 3.594,9 3.716,10 3.148,11 3.064,12 4.781,13 3.062,14 4.079,15 4.274,16 3.463,17 3.421,18 5.306,19 3.4,20 4.184,21 4.364,22 3.326,23 3.505,24 5.286,25 3.416,26 4.375,27 4.619,28 3.249,29 3.481,30 5.386,31 3.371,32 4.216,33 4.464,34 3.302,35 3.401,36 5.258,37 3.32,38 4.219,39 4.457,40 3.168,41 3.328,42 5.307,43 3.229,44 3.996,45 4.254,46 2.757,47 3.051,48 4.995,49 2.905,50 3.939,51 4.236,52 2.521,53 2.721,54 5.049,55 2.607,56 0.044,57 0.493,58 6.754,59 2.679,60 7.97,61 3.652,62 0.276,63 0.745,64 12.508,65 3.988,66 33.47,67 5.789,68 0.132,69 0.785,70 13.369,71 5.442,72 16.751,73 7.403,74 0.313,75 0.827,76 18.657,77 5.948,78 49.157,79 8.564,80 0.187,81 0.757,82 15.335,83 5.117,84 20.187,85 7.577,86 0.323,87 0.71,88 15.767,89 4.94,90 32.69,91 7.198,92 0.127,93 0.553,94 12.466,95 4.15,96 20.383,97 6.183,98 0.445,99 0.412,100 13.932,101 3.293,102 55.168,103 4.86,104 20,105 26,106 0.3,107 0.695,108 0.865,109 0.876,110 0.876,111 0.876,112 2.959,113 0.882,114 -2.28,115 -2.32,116 -2.28,118 39.4,119 1,123 1,124 1,133 1,134 1,140 1,141 1,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 3,181 2,185 1,186 4,191 2,194 2,195 1,198 3,203 1,206 1,207 1,209 1,210 4,211 1,215 1,221 1,222 2,225 1,234 2,235 1,246 1,247 1,250 1,259 1,260 1,270 354,271 11.723,272 11.723,273 11.723,274 11.723,275 11.723,276 10.051,277 13.152,278 6.941,279 12.007,280 9.369,281 9.369,282 9.369,283 9.369,284 9.369,285 6.904,286 16.555,287 3.324,288 9.813,289 3.438,290 1.318,291 0.409,292 0.349,293 0.349,294 0.349,295 3.606,299 1,300 1,301 291,302 3.162,305 106.739,313 1.457,314 15.188,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 142,327 4.358,328 3.593,329 6.181,330 3.938,331 2.979,332 4.029,333 1.437,334 9.24,335 2.867,336 4.033,337 3.125,338 5.779,339 3.642,340 2.655,341 3.484,342 0.522,343 7.687,344 2.605,345 3.872,346 2.592,347 5.346,348 3.389,349 2.463,350 3.35,352 6.923,353 2.276,354 3.276,355 2.235,356 4.995,357 2.904,358 1.926,359 2.477,361 5.642,362 1.871,363 2.744,364 1.75,365 4.15,366 2.332,367 1.395,368 1.817,370 3.627,371 1.304,372 2.603,373 1.576,374 3.502,375 2.031,376 1.058,377 1.485,379 2.458,380 1.015,381 2.472,382 1.12,383 3.395,384 1.965,385 1,386 1.42,388 2.297,389 0.958,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.075,400 0.438,401 2.677,402 0.782,403 -0.184,404 -0.225,406 -0.515,407 -0.176,408 0.897,409 0.027,410 2.414,411 0.623,412 -0.354,413 -0.416,415 -0.906,416 -0.344,417 0.449,418 -0.15,419 1.812,420 0.092,421 -0.836,422 -1.003,424 -2,425 -0.773,426 0.405,427 -0.615,428 1.712,430 -1,431 -1.268,433 -2.077,434 -0.961,435 0.094,436 -1.022,437 1.371,438 -0.332,439 -1.299,440 -1.622,442 -3.203,443 -1.255,444 -0.118,445 -1.222,446 1.239,447 -0.52,448 -1.481,449 -1.783,451 -3.884,452 -1.42,453 -0.15,454 -1.538,455 1.04,456 -0.667,457 -1.616,458 -2.295,460 -4.372,461 -1.481,462 8.367,463 0.465,464 0.527,465 0.029,466 23,467 1.278,468 11,469 0.611,470 12,471 0.667,472 11.791,473 0.655,474 19.833,475 0.601,476 15.439,477 0.858,478 4.895,479 0.272,480 3.663,481 0.204,482 0.199,484 0.335,487 0.852,488 1.61,489 0.799,490 1.21,491 0.734,492 1.028,493 0.747,494 0.875,495 0.812,496 0.727,497 0.38,498 0.741,499 0.746,500 1.26,501 1.178,502 1.425,503 0.704,504 1.39,505 1.132,506 1.026,507 1.083,508 0.994,509 1.177,510 1.034,511 0.647,512 0.974,513 0.794,514 0.959,515 0.469,516 0.901,517 0.957,518 0.971,519 1.062,520 1.017,521 1.051,522 1.055,523 0.731,524 1.238,525 1.093,526 1.359,527 0.693,528 1.299,529 1.709,530 0.314,531 1.024,532 0.331,533 2.084,534 0.536,535 4.5,536 0.04,537 1.778,538 1.389,539 0.64,540 0.598,541 0.371,542 0.103,543 0.117,544 0.08,545 2697,546 8573,547 1.963,548 45.5,549 3,550 7,551 2,552 2,553 1,558 1.585,559 1.8,560 3.012,561 -0.225,563 1,564 1,565 1,567 53.001,568 1.606,569 3.726,570 4.635,571 4.696,572 4.696,573 4.696,574 2.461,575 3.461,576 4.14,577 3.161,578 483.564,579 7.018,580 4653.26,581 1,582 1,584 1,585 166.465,586 1.53,587 4.076,588 0.237,589 0.01,590 0.068,591 0.066,592 0.034,593 0.028,594 0.022,595 0.01,596 0.015,597 0.01,598 0.5,599 0.5,600 1,601 1.409,602 77.014,603 -0.08,604 -0.39,605 0.034,606 -0.135,607 -0.095,608 -0.053,609 0.088,610 0.289,611 0.098,612 0.246,613 0.243,614 0.199,615 -0.058,616 -0.173,617 -0.318,618 -0.366,619 -0.037,620 -0.388,621 -0.164,622 -0.107,623 -0.105,624 -0.018,625 -0.166,626 -0.052,627 0.049,628 0.014,629 0.149,630 0.024,631 0.105,632 0.098,633 0.02,634 -0.017,635 -0.086,636 -0.057,637 -0.079,638 -0.089,639 -0.002,640 -0.319,641 -0.142,642 -0.385,643 0.009,644 -0.299,645 -0.119,646 0.423,647 0.126,648 0.523,649 -0.285,650 0.385,651 2.56,652 3.764,653 0.556,654 13.556,655 1.008,656 1.133,657 1.051,658 1.104,659 0.651,660 2.996,661 3.296,662 3.466,663 3.638,664 3.638,665 3.689,666 3.807,667 3.714,668 3.497,669 3.367,670 4.986,671 0.626,672 245.31,673 2.996,674 4.511,675 5.323,676 6.176,677 7.011,678 7.867,679 8.713,680 9.571,681 10.421,682 11.281,683 9.1,691 2,693 1,699 5,700 1,704 2,705 2,706 10,724 33,726 12,728 19,730 34,731 13,733 7,736 3,739 2,740 2,745 1,753 10,754 3,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 5,778 1,779 3,784 1,785 2,797 1,801 2,818 1,822 1,823 1,830 1,832 2,836 2,840 18,845 1,846 1,862 6.1,864 1,865 1,869 10,870 6.467,871 3.972,872 1.74,874 2.168,875 1.364,876 0.927,877 3.675,878 8.129,879 3.296,880 3.882,881 4.373,882 4.865,883 5.037,884 5.367,885 5.775,886 5.977,887 6.013,888 6.227,889 1,890 21,891 6.593,893 2.684,894 7.954,895 12.35,897 9.569,899 2.454,900 44.167,901 0.001,904 164.795,905 84.078,906 20.584,908 67.828,911 84.078,912 232.624,913 20.584,914 17.222,915 2.106,916 37.047,917 117.684,918 19.217,919 26.299,920 117.711,922 164.795,923 104.662,924 67.828,927 164.795,928 67.828,931 32.395,932 46.005,933 26.262,935 164.795,936 88.412,937 84.078,940 164.795,941 12.143,942 75.733,944 84.614,945 164.795,946 88.412,947 84.078,949 0.584,950 0.324,951 0.152,952 0.072,953 12,954 6,955 0.118,956 4,958 1,959 3.05,960 119.961,962 10,963 75.059,968 12.647,969 5.23,970 3.119,972 84.614,973 9.277,974 3.99,978 1.991,979 3.952,980 42.683,981 337.286,982 26,987 10.764,989 1.666,991 -0.565,994 33.262,995 37.405,996 0.318,997 0.739,998 0.919,999 0.931,1000 0.931,1001 0.931,1002 4.505,1003 0.618,1004 5.313,1005 2.297,1006 3.97,1007 4.564,1008 1.736,1009 6.066,1010 3.885,1011 5.726,1012 -0.184,1013 6.847,1014 1.372,1015 3.611,1016 4.369,1018 6.83,1019 3.494,1020 7.029,1021 -0.354,1022 8.474,1023 -0.515,1024 5.517,1025 6.719,1026 2.269,1027 9.861,1028 5.355,1029 8.366,1030 -0.836,1031 10.153,1032 -0.906,1033 5.943,1034 7.345,1036 11.406,1037 5.747,1038 9.73,1039 -1,1040 11.862,1041 -2,1042 7.336,1043 9.13,1044 2.925,1045 13.933,1046 7.103,1047 11.113,1048 -1.299,1049 13.591,1050 -2.077,1051 8.103,1052 10.132,1054 15.82,1055 7.836,1056 12.509,1057 -1.481,1058 15.335,1059 -3.203,1060 9.298,1061 11.68,1062 3.619,1063 18.156,1064 8.995,1065 2.979,1066 -1.616,1067 17.089,1068 -3.884,1069 10.221,1070 12.867,1072 20.208,1073 9.884,1074 2.655,1075 9.24,1076 18.851,1077 -4.372,1078 11.336,1079 14.312,1080 4.33,1081 22.467,1082 10.965,1083 2.463,1084 7.687,1085 20.62,1086 4.029,1087 12.333,1088 15.592,1090 24.601,1091 11.927,1092 1.926,1093 6.923,1094 22.394,1095 3.484,1096 13.418,1097 16.994,1098 5.047,1099 26.831,1100 12.977,1101 1.395,1102 5.642,1103 24.173,1104 3.35,1105 14.453,1106 18.322,1108 29.006,1109 13.976,1110 1.058,1111 3.627,1112 25.956,1113 2.477,1114 15.528,1115 19.707,1116 5.769,1117 31.226,1118 15.016,1119 1,1120 2.458,1121 27.743,1122 1.817,1123 16.582,1124 21.06,1126 33.423,1127 16.033,1128 2786,1129 5035,1130 12.137,1131 21.495,1132 29.055,1133 28.958,1134 28.905,1135 28.182,1136 28.187,1137 37.978,1138 3.916,1139 78.491,1140 26.944,1141 5.142,1142 5.526,1143 5.795,1144 4.998,1145 4.979,1146 6.763,1147 2.873,1148 15.543,1149 4.805,1150 10.079,1151 1.529,1152 1.524,1153 1.521,1154 1.483,1155 1.484,1156 1.999,1157 0.206,1158 4.131,1159 1.418,1160 4.05,1161 4.101,1162 3.998,1163 3.915,1164 7.475,1165 3.929,1166 3.843,1167 3.903,1168 3.788,1169 3.653,1170 6.351,1171 3.679,1172 3.625,1173 3.655,1174 3.558,1175 3.457,1176 4.967,1177 3.473,1178 3.09,1179 3.18,1180 2.939,1181 2.861,1182 4.761,1183 2.845,1184 3.019,1185 3.061,1186 2.828,1187 2.806,1188 4.19,1189 2.803,1190 2.952,1191 3.035,1192 2.721,1193 2.632,1194 3.752,1195 2.665,1196 2.524,1197 2.621,1198 2.286,1199 2.316,1200 3.667,1201 2.3,1202 2.463,1203 2.566,1204 2.231,1205 2.23,1206 3.344,1207 2.217,1208 0.229,1209 0.189,1210 0.325,1211 0.207,1212 0.157,1213 4.358,1214 0.212,1215 3.593,1216 0.076,1217 6.181,1218 0.486,1219 3.938,1220 0.151,1221 2.979,1222 4.029,1223 1.437,1224 9.24,1225 2.867,1226 1.753,1227 1.728,1228 1.887,1229 1.931,1230 1.079,1231 1.916,1232 1.702,1233 1.639,1234 1.862,1235 1.87,1236 0.983,1237 1.872,1238 1.428,1239 1.358,1240 1.663,1241 1.682,1242 0.747,1243 1.677,1244 1.324,1245 1.276,1246 1.521,1247 1.526,1248 0.597,1249 1.519,1250 1.251,1251 1.182,1252 1.448,1253 1.457,1254 0.432,1255 1.462,1256 0.873,1257 0.814,1258 1.219,1259 1.267,1260 0.254,1261 1.228,1262 0.845,1263 0.762,1264 1.112,1265 1.119,1266 0.067,1267 1.161,1268 0.483,1269 0.375,1270 0.918,1271 0.796,1272 0.022,1273 0.845,1274 3.664,1276 4.963,1277 3.045,1278 6.412,1279 5.283,1280 7.928,1281 7.248,1282 9.486,1284 3.532,1289 8.839,1290 0.719,1300 20.655,1301 53.001,1302 122.955,1303 152.955,1304 154.955,1305 154.955,1306 154.955,1307 26.37,1308 5.961,1309 60.05,1310 60.05,1311 10,1312 11.834,1313 3.7,1314 3,1315 31.057,1316 54,1317 43,1318 0.295,1319 131.495,1320 221.68,1321 312.608,1322 2343,1324 13.121,1325 0.729,1326 0.576,1327 13.121,1328 10.368,1329 8.559,1330 0.45,1331 0.294,1332 5.481,1333 8.139,1334 5.261,1335 4.442,1336 8.559,1337 5.586,1338 7.918,1339 0.305,1340 0.163,1341 7.918,1342 4.243,1343 6.1,1344 0.197,1345 0.089,1346 6.1,1347 2.753,1348 4.468,1349 0.121,1350 0.047,1351 4.468,1352 1.753,1353 2.923,1354 0.079,1355 0.026,1356 2.923,1357 0.98,1358 0.455,1359 54.278,1360 0.287,1361 18.231,1362 0.821,1363 90,1364 290.821,1365 100.034,1366 281.525,1367 372.65,1368 260,1369 102,1370 265.413,1371 112.205,1372 272.786,1373 386.61,1374 251,1375 5.796} {0 CHEMBL169905,1 1.644,2 7.941,3 1.702,4 2.896,5 64.395,6 7.709,7 0.556,8 3.511,9 3.631,10 3.089,11 2.99,12 4.731,13 2.997,14 3.971,15 4.145,16 3.399,17 3.331,18 5.261,19 3.315,20 4.095,21 4.289,22 3.2,23 3.355,24 5.219,25 3.271,26 4.22,27 4.47,28 3.132,29 3.285,30 5.281,31 3.198,32 3.989,33 4.212,34 3.173,35 3.207,36 5.17,37 3.144,38 4.021,39 4.263,40 2.92,41 3.088,42 5.148,43 2.995,44 3.605,45 3.855,46 2.476,47 2.692,48 4.592,49 2.574,50 3.502,51 3.764,52 2.452,53 2.501,54 4.643,55 2.434,56 0.065,57 0.453,58 5.838,59 2.38,60 8.52,61 3.109,62 0.241,63 0.679,64 10.424,65 3.661,66 32.194,67 5.089,68 0.177,69 0.702,70 12.158,71 4.602,72 18.109,73 6.263,74 0.345,75 0.694,76 16.371,77 4.843,78 52.302,79 6.916,80 0.254,81 0.618,82 11.691,83 3.905,84 20.827,85 5.64,86 0.242,87 0.557,88 13.054,89 4.103,90 34.351,91 5.764,92 0.128,93 0.368,94 8.502,95 2.854,96 21.777,97 4.114,98 0.281,99 0.309,100 8.374,101 2.114,102 27.12,103 3.093,104 13,105 24,106 0.313,107 0.75,108 0.879,109 0.892,110 0.892,111 0.892,112 2.906,113 0.867,114 -2.01,115 -2.06,116 -2.05,118 40,119 1,124 1,133 1,134 1,140 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 1,175 1,177 4,180 2,181 2,186 3,189 1,191 3,194 2,198 1,203 1,204 1,206 2,207 1,210 3,213 2,214 1,215 1,218 1,219 1,222 3,227 1,234 2,235 1,246 1,247 1,250 1,259 1,260 1,270 292,271 11.223,272 11.223,273 11.223,274 11.223,275 11.223,276 9.604,277 11.822,278 6.745,279 11.465,280 8.891,281 8.891,282 8.891,283 8.891,284 8.891,285 6.514,286 15.733,287 3.242,288 9.28,289 3.263,290 0.971,291 0.292,292 0.225,293 0.225,294 0.225,295 3.554,299 1,300 1,301 278,302 3.082,305 100.758,313 1.481,314 16.08,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37.5,326 135,327 4.229,328 3.593,329 5.856,330 3.808,331 2.837,332 3.835,333 1.437,334 8.288,335 2.76,336 3.999,337 2.965,338 5.644,339 3.601,340 2.632,341 3.483,342 0.522,343 7.555,344 2.543,345 3.824,346 2.545,347 5.296,348 3.347,349 2.405,350 3.274,352 6.719,353 2.25,354 3.187,355 2.152,356 4.752,357 2.805,358 1.83,359 2.366,361 5.211,362 1.777,363 2.665,364 1.749,365 3.529,366 2.123,367 1.176,368 1.642,370 2.603,371 1.106,372 2.519,373 1.199,374 3.368,375 1.98,376 1,377 1.42,379 2.283,380 0.968,381 2.191,382 0.747,383 3.26,384 1.677,385 0.708,386 1.036,388 1.691,389 0.684,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.029,400 0.437,401 2.612,402 0.741,403 -0.208,404 -0.248,406 -0.575,407 -0.196,408 0.811,409 0.015,410 2.265,411 0.48,412 -0.497,413 -0.617,415 -1.329,416 -0.484,417 0.433,418 -0.303,419 1.515,421 -1,422 -1.268,424 -2,425 -0.961,426 0.103,427 -1.014,428 1.48,429 -0.314,430 -1.275,431 -1.581,433 -3.055,434 -1.218,435 0.013,436 -1.122,437 1.254,438 -0.406,439 -1.38,440 -1.689,442 -3.623,443 -1.361,444 -0.118,445 -1.507,446 1.04,447 -0.609,448 -1.585,449 -2.265,451 -4.331,452 -1.474,453 -0.214,454 -1.618,455 1,456 -0.702,457 -1.618,458 -2.427,460 -4.372,461 -1.546,462 7.867,463 0.463,464 0.438,465 0.026,466 22.25,467 1.309,468 11,469 0.647,470 11.25,471 0.662,472 10.247,473 0.603,474 18.533,475 0.618,476 14.133,477 0.831,478 4.763,479 0.28,480 3.384,481 0.199,482 0.148,484 0.305,487 0.888,488 1.463,489 0.786,490 1.102,491 0.746,492 0.947,493 0.644,494 1.103,495 0.822,496 0.941,497 0.391,498 0.901,499 0.824,500 1.193,501 1.204,502 1.36,503 0.73,504 1.354,505 1.224,506 0.929,507 1.025,508 0.841,509 1.263,510 0.893,511 0.588,512 0.913,513 0.884,514 0.977,515 0.52,516 0.979,517 1.143,518 0.96,519 1.072,520 1.036,521 1.177,522 1.042,523 0.841,524 1.127,525 0.985,526 1.169,527 0.935,528 1.129,529 1.251,530 0.43,531 0.965,532 0.447,533 1.482,534 0.619,535 4,536 0.04,537 1.333,538 1.042,539 0.435,540 0.456,541 0.234,542 0.103,543 0.117,544 0.08,545 2432,546 8046,547 1.994,548 43.3,549 3,550 5,551 1,552 2,553 2,558 1.564,559 1.855,560 3.025,561 0.468,563 1,564 1,565 1,567 49.327,568 1.644,569 3.936,570 4.615,571 4.682,572 4.682,573 4.682,574 2.44,575 3.102,576 4.059,577 3.17,578 431.087,579 6.835,580 4018.9,582 1,584 1,585 147.207,586 1.447,587 4.01,588 0.222,589 0.01,590 0.056,591 0.058,592 0.026,593 0.025,594 0.018,595 0.013,596 0.015,597 0.01,598 0.452,599 0.5,600 1,601 1.403,602 71.681,603 -0.124,604 -0.26,605 0.012,606 -0.055,607 -0.11,608 -0.006,609 0.134,610 0.045,611 0.042,612 0.046,613 0.236,614 0.036,615 -0.089,616 -0.14,617 -0.33,618 -0.355,619 -0.043,620 -0.384,621 -0.188,622 -0.045,623 -0.007,624 0.112,625 -0.182,626 0.088,627 0.178,628 0.116,629 0.046,630 -0.01,631 0.121,632 -0.009,633 -0.141,634 -0.071,635 -0.071,636 -0.07,637 -0.11,638 -0.055,639 -0.022,640 -0.26,641 -0.002,642 -0.176,643 -0.076,644 -0.104,645 0.045,646 0.437,647 0.126,648 0.444,649 -0.148,650 0.321,651 2.573,652 3.672,653 0.588,654 12.775,655 1.013,656 1.133,657 0.779,658 0.607,659 0.658,660 2.944,661 3.219,662 3.367,663 3.526,664 3.466,665 3.526,666 3.638,667 3.555,668 3.434,669 3.296,670 5.013,671 0.638,672 231.28,673 2.944,674 4.443,675 5.242,676 6.08,677 6.899,678 7.739,679 8.566,680 9.408,681 10.238,682 11.081,683 10,691 2,693 1,699 5,700 1,701 1,704 2,705 1,706 10,724 30,726 12,728 18,730 31,731 12,733 7,736 3,739 2,740 2,745 1,753 10,754 2,756 2,761 1,763 1,765 2,769 1,772 13,773 3,774 2,775 5,778 1,779 3,784 1,785 2,797 1,801 2,818 1,822 1,823 1,830 1,832 2,836 1,840 17,845 1,846 1,862 6.7,864 1,865 1,869 9.167,870 5.517,871 3.778,872 1.576,874 2.199,875 1.376,876 0.938,877 3.445,878 8.045,879 3.258,880 3.818,881 4.294,882 4.78,883 4.879,884 5.229,885 5.635,886 5.839,887 5.955,888 6.157,889 1,890 18,891 6.218,893 2.545,894 8.01,895 11.568,897 8.954,899 2.51,900 42.667,901 0.001,904 129.482,905 75.682,906 35.47,908 67.828,911 75.682,912 197.31,913 35.47,914 8.825,915 2.106,916 37.476,917 117.684,918 30.918,919 17.285,920 94.169,922 129.482,923 111.152,924 67.828,927 129.482,928 67.828,931 47.282,932 37.609,933 26.262,935 129.482,936 103.298,937 75.682,940 129.482,941 11.715,942 65.866,943 16.786,944 84.614,945 129.482,946 103.298,947 75.682,949 0.576,950 0.315,951 0.148,952 0.066,953 11,954 5,955 0.129,956 4,958 1,959 3.022,960 108.438,962 10,963 69.487,968 11.674,969 5.017,970 3.076,972 84.614,973 9.121,974 3.956,975 3.149,978 1.799,979 1.934,980 59.469,981 308.463,982 25,987 10.672,989 1.611,991 -0.6,994 30.378,995 33.99,996 0.335,997 0.802,998 0.941,999 0.954,1000 0.954,1001 0.954,1002 4.449,1003 0.618,1004 5.209,1005 1.691,1006 3.892,1007 4.5,1008 1.736,1009 5.922,1010 3.812,1011 5.652,1012 -0.208,1013 6.713,1014 1.372,1015 3.434,1016 4.182,1018 6.589,1019 3.33,1020 6.937,1021 -0.497,1022 8.308,1023 -0.575,1024 5.398,1025 6.616,1026 2.269,1027 9.593,1028 5.244,1029 8.257,1030 -1,1031 9.952,1032 -1.329,1033 5.74,1034 7.14,1036 11.026,1037 5.561,1038 9.603,1039 -1.275,1040 11.627,1041 -2,1042 7.154,1043 8.962,1044 2.925,1045 13.5,1046 6.934,1047 10.966,1048 -1.38,1049 13.32,1050 -3.055,1051 7.843,1052 9.872,1054 15.258,1055 7.6,1056 12.342,1057 -1.585,1058 15.026,1059 -3.623,1060 9.036,1061 11.428,1062 3.619,1063 17.524,1064 8.757,1065 2.837,1066 -1.618,1067 16.74,1068 -4.331,1069 9.889,1070 12.533,1072 19.441,1073 9.586,1074 2.632,1075 8.288,1076 18.461,1077 -4.372,1078 10.985,1079 13.964,1080 4.33,1081 21.615,1082 10.651,1083 2.405,1084 7.555,1085 20.187,1086 3.835,1087 11.918,1088 15.17,1090 23.614,1091 11.56,1092 1.83,1093 6.719,1094 21.917,1095 3.483,1096 12.972,1097 16.542,1098 5.047,1099 25.746,1100 12.585,1101 1.176,1102 5.211,1103 23.649,1104 3.274,1105 13.947,1106 17.803,1108 27.789,1109 13.536,1110 1,1111 2.603,1112 25.385,1113 2.366,1114 14.982,1115 19.148,1116 5.769,1117 29.902,1118 14.544,1119 0.708,1120 2.283,1121 27.122,1122 1.642,1123 15.979,1124 20.439,1126 31.971,1127 15.517,1128 2494,1129 4602,1130 11.731,1131 19.733,1132 27.242,1133 26.988,1134 26.744,1135 26.416,1136 26.413,1137 35.968,1138 3.916,1139 71.444,1140 25.331,1141 5.009,1142 5.526,1143 5.471,1144 4.87,1145 4.837,1146 6.569,1147 2.873,1148 14.242,1149 4.707,1150 8.518,1151 1.513,1152 1.499,1153 1.486,1154 1.468,1155 1.467,1156 1.998,1157 0.218,1158 3.969,1159 1.407,1160 4.033,1161 4.087,1162 3.977,1163 3.891,1164 7.475,1165 3.905,1166 3.838,1167 3.896,1168 3.783,1169 3.65,1170 6.351,1171 3.677,1172 3.602,1173 3.629,1174 3.535,1175 3.447,1176 4.974,1177 3.459,1178 3.026,1179 3.063,1180 2.908,1181 2.806,1182 4.809,1183 2.805,1184 2.958,1185 3.037,1186 2.751,1187 2.632,1188 4.165,1189 2.672,1190 2.663,1191 2.755,1192 2.434,1193 2.452,1194 3.681,1195 2.44,1196 2.491,1197 2.602,1198 2.28,1199 2.288,1200 3.454,1201 2.273,1202 2.433,1203 2.553,1204 2.219,1205 2.073,1206 3.354,1207 2.096,1208 0.235,1209 0.2,1210 0.325,1211 0.212,1212 0.158,1213 4.229,1214 0.213,1215 3.593,1216 0.08,1217 5.856,1218 0.46,1219 3.808,1220 0.153,1221 2.837,1222 3.835,1223 1.437,1224 8.288,1225 2.76,1226 1.74,1227 1.709,1228 1.878,1229 1.923,1230 1.041,1231 1.907,1232 1.68,1233 1.625,1234 1.833,1235 1.849,1236 0.967,1237 1.847,1238 1.359,1239 1.313,1240 1.562,1241 1.542,1242 0.628,1243 1.533,1244 1.31,1245 1.251,1246 1.505,1247 1.527,1248 0.522,1249 1.531,1250 1.217,1251 1.14,1252 1.387,1253 1.487,1254 0.346,1255 1.47,1256 0.857,1257 0.814,1258 1.134,1259 1.267,1260 0.136,1261 1.227,1262 0.584,1263 0.488,1264 0.984,1265 0.874,1267 0.927,1268 0.405,1269 0.293,1270 0.803,1271 0.768,1273 0.799,1274 3.611,1276 4.89,1277 3.045,1278 6.315,1279 5.209,1280 7.805,1281 7.111,1282 9.333,1284 1.568,1289 8.763,1290 0.694,1300 19.128,1301 49.327,1302 118.087,1303 138.452,1304 140.452,1305 140.452,1306 140.452,1307 23.821,1308 5.846,1309 70.91,1310 70.91,1311 10,1312 11.647,1313 3.7,1314 3,1315 28.613,1316 52,1317 38,1318 0.283,1319 121.903,1320 204.38,1321 289.203,1322 2090,1324 12.251,1325 0.721,1326 0.554,1327 12.251,1328 9.421,1329 8.148,1330 0.453,1331 0.289,1332 5.111,1333 7.768,1334 4.958,1335 4.165,1336 8.148,1337 5.202,1338 7.388,1339 0.308,1340 0.159,1341 7.388,1342 3.806,1343 5.634,1344 0.201,1345 0.085,1346 5.634,1347 2.39,1348 4.122,1349 0.125,1350 0.046,1351 4.122,1352 1.507,1353 2.554,1354 0.082,1355 0.025,1356 2.554,1357 0.785,1358 0.443,1359 51.563,1360 0.292,1361 17.469,1362 0.771,1363 84,1364 279.508,1365 94.007,1366 270.728,1367 357.53,1368 250,1369 94,1370 253.85,1371 103.539,1372 259.111,1373 367.49,1374 240,1375 5.041} {0 CHEMBL170615,1 1.571,2 8.474,3 1.411,4 1.991,5 71.304,6 7.204,7 0.476,8 3.696,9 3.817,10 3.249,11 3.171,12 4.764,13 3.165,14 4.227,15 4.424,16 3.519,17 3.513,18 5.239,19 3.481,20 4.319,21 4.517,22 3.476,23 3.594,24 5.28,25 3.523,26 4.469,27 4.684,28 3.394,29 3.649,30 5.43,31 3.542,32 4.468,33 4.742,34 3.345,35 3.591,36 5.307,37 3.453,38 4.371,39 4.637,40 3.266,41 3.42,42 5.328,43 3.312,44 4.162,45 4.427,46 2.857,47 3.16,48 5.088,49 3.043,50 3.892,51 4.134,52 2.65,53 2.974,54 4.827,55 2.819,56 0.013,57 0.545,58 7.803,59 3.113,60 6.011,61 4.324,62 0.319,63 0.826,64 15.199,65 4.686,66 26.92,67 6.832,68 0.177,69 0.874,70 16.363,71 5.887,72 19.765,73 8.261,74 0.291,75 0.953,76 19.851,77 6.604,78 39.005,79 9.386,80 0.298,81 0.921,82 20.392,83 6.946,84 24.826,85 10.477,86 0.185,87 0.79,88 18.713,89 6.024,90 27.744,91 8.978,92 0.324,93 0.615,94 15.763,95 4.267,96 35.004,97 6.31,98 0.233,99 0.485,100 11.441,101 3.84,102 22.028,103 5.568,104 12,105 30,106 0.288,107 0.628,108 0.848,109 0.868,110 0.878,111 0.878,112 3.01,113 0.912,114 -2.63,115 -2.65,116 -2.58,118 38.9,120 1,121 2,123 2,124 1,140 2,143 1,149 1,150 2,154 1,156 1,168 4,171 2,172 5,180 1,185 1,186 7,194 3,198 1,206 2,209 3,210 4,222 5,234 1,246 2,247 2,270 414,271 12.939,272 12.939,273 12.939,274 12.939,275 12.939,276 11.537,277 16.531,278 7.488,279 13.372,280 10.277,281 10.277,282 10.277,283 10.277,284 10.277,285 8.15,286 21.322,287 3.462,288 10.83,289 3.598,290 1.74,291 0.542,292 0.431,293 0.375,294 0.375,295 3.67,298 1,299 1,300 1,301 346,302 2.828,303 36.008,305 108.818,313 1.551,314 14.613,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 41.5,326 161,327 4.519,328 3.88,329 6.926,330 4.295,331 3.312,332 4.115,333 2.443,334 11.655,335 3.258,336 4.114,337 3.316,338 6.298,339 3.826,340 2.869,341 3.483,342 0.522,343 9.374,344 2.737,345 3.882,346 2.873,347 5.515,348 3.412,349 2.49,350 3.27,351 0.286,352 7.231,353 2.293,354 3.346,355 2.487,356 5.202,357 3.004,358 2.034,359 2.507,361 6.051,362 1.954,363 2.826,364 1.839,365 4.592,366 2.49,367 1.53,368 1.874,370 4.282,371 1.459,372 2.564,373 1.461,374 3.891,375 2.122,376 1.162,377 1.589,379 2.836,380 1.112,381 2.537,382 1.308,383 3.44,384 2.047,385 1.117,386 1.547,388 2.519,389 1.035,390 2.118,391 1.19,392 3.192,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.498,400 0.628,401 3,402 1.28,403 0.377,404 0.401,406 0.692,407 0.336,408 1.316,409 0.618,410 2.736,411 1.036,412 0.069,413 0.08,415 0.136,416 0.066,417 0.891,418 0.117,419 2.611,420 0.608,421 -0.394,422 -0.478,424 -1.088,425 -0.387,426 0.504,427 -0.331,428 2.23,429 0.302,430 -0.693,431 -0.77,433 -1.848,434 -0.678,435 0.252,436 -0.536,437 2,438 0.073,439 -0.879,440 -0.98,442 -2.601,443 -0.844,444 -0.026,445 -0.743,446 1.716,447 -0.439,448 -1.384,449 -1.713,451 -3.055,452 -1.264,453 -0.118,454 -1.179,455 1.491,456 -0.46,457 -1.404,458 -1.731,460 -3.348,461 -1.326,462 8.867,463 0.467,464 0.469,465 0.025,466 22.75,467 1.197,468 9.5,469 0.5,470 13.25,471 0.697,472 13.869,473 0.73,474 21.133,475 0.587,476 14.421,477 0.759,478 4.562,479 0.24,480 4.641,481 0.244,482 0.15,484 0.372,487 0.772,488 1.655,489 0.775,490 1.3,491 0.535,492 1.075,493 1.028,494 0.953,495 0.94,496 0.804,497 0.606,498 0.832,499 0.948,500 1.11,501 1.058,502 1.169,503 0.983,504 1.133,505 1.271,506 1.154,507 1.268,508 1.153,509 1.494,510 1.21,511 0.429,512 0.884,513 0.83,514 0.976,515 0.383,516 0.971,517 0.852,518 1.077,519 0.821,520 1.049,521 0.834,522 0.95,523 1.612,524 0.697,525 1.242,526 0.75,527 1.622,528 0.9,529 0.874,530 1.078,531 1.18,532 1.206,533 1.213,534 1.263,535 3.5,536 0.04,537 2.333,538 1.708,539 0.845,540 0.518,541 0.371,542 0.144,543 0.099,544 0.055,545 3384,546 9197,547 2.081,548 47.2,549 2,550 10,551 1,552 2,554 2,558 1.601,559 1.932,560 3.071,561 -0.724,563 1,564 1,565 1,567 56.573,568 1.571,569 3.43,570 4.628,571 4.739,572 4.795,573 4.795,574 2.55,575 3.722,576 4.216,577 3.228,578 551.969,579 7.173,580 5436.76,581 1,582 1,584 1,585 186.117,586 1.462,587 4.171,588 0.167,589 0.007,590 0.086,591 0.068,592 0.038,593 0.025,594 0.02,595 0.012,596 0.011,597 0.008,598 0.442,599 0.67,600 1,601 1.091,602 82.787,603 -0.012,604 -0.413,605 0.085,606 -0.19,607 0.018,608 -0.062,609 0.016,610 0.176,611 0.015,612 0.17,613 0.074,614 0.11,615 -0.081,616 -0.031,617 -0.137,618 -0.14,619 -0.095,620 -0.144,621 -0.245,622 -0.149,623 -0.315,624 -0.154,625 -0.251,626 -0.239,627 0.202,628 0.06,629 0.113,630 0.008,631 0.152,632 0.038,633 0.031,634 -0.187,635 0.159,636 -0.077,637 0.09,638 0.044,639 -0.333,640 0.21,641 -0.207,642 0.148,643 -0.291,644 0.02,645 0.109,646 -0.162,647 -0.212,648 -0.22,649 -0.139,650 -0.278,651 1.762,652 4.488,653 0.684,654 14.914,655 1.004,656 1.134,657 1.397,658 1.951,659 0.646,660 3.091,661 3.434,662 3.689,663 3.912,664 3.932,665 4.043,666 4.159,667 4.174,668 4.127,669 4.043,670 5.123,671 0.616,672 259.34,673 3.091,674 4.635,675 5.509,676 6.405,677 7.303,678 8.21,679 9.118,680 10.031,681 10.944,682 11.861,683 8.3,691 2,693 1,699 5,700 1,704 2,705 2,706 10,724 36,726 11,728 21,730 38,731 14,733 7,739 3,740 3,748 1,749 2,751 1,753 8,754 6,755 2,756 1,761 1,765 1,768 1,769 1,772 17,773 3,775 5,778 1,779 3,784 1,785 2,797 1,799 1,801 2,819 1,832 3,836 2,840 19,846 2,848 1,850 2,862 5.6,865 1,867 1,869 9.833,870 7.017,871 4.222,872 2.042,874 1.803,875 1.28,876 0.959,877 3.19,878 8.237,879 3.332,880 3.902,881 4.404,882 4.893,883 4.984,884 5.321,885 5.699,886 5.965,887 6.132,888 6.238,889 0.833,890 25,891 7.014,893 2.972,894 7.719,895 13.543,897 11.308,899 2.219,900 42.167,901 0.001,904 200.109,905 82.29,906 20.584,908 36.145,911 82.29,912 236.254,913 20.584,914 19.279,915 4.64,916 28,917 81.283,918 23.845,919 17.285,920 164.795,922 200.109,923 102.874,924 36.145,927 200.109,928 36.145,931 26.104,932 59.984,933 16.786,935 200.109,936 56.729,937 82.29,940 200.109,941 17.345,942 68.744,944 52.93,945 200.109,946 56.729,947 82.29,949 0.583,950 0.342,951 0.177,952 0.077,953 16,954 7,955 0.132,956 5,958 1,959 3.243,960 138.269,962 13,963 80.711,968 12.486,969 4.854,970 2.451,972 52.93,973 9.752,974 4.041,978 2.425,979 4.206,981 339.128,982 27,987 11.488,991 -0.095,994 36.145,995 40.82,996 0.304,997 0.663,998 0.895,999 0.917,1000 0.927,1001 0.927,1002 4.58,1003 0.618,1004 5.509,1005 2.519,1006 4.111,1007 4.585,1008 2.45,1009 6.368,1010 4.021,1011 5.795,1012 0.377,1013 7.106,1014 1.372,1015 3.892,1016 4.443,1017 2.243,1018 7.493,1019 3.791,1020 7.119,1021 0.069,1022 8.809,1023 0.692,1024 5.796,1025 6.727,1026 3.844,1027 10.567,1028 5.644,1029 8.479,1030 -0.394,1031 10.575,1032 0.136,1033 6.399,1034 7.424,1035 4.269,1036 12.487,1037 6.24,1038 9.871,1039 -0.693,1040 12.38,1041 -1.088,1042 7.806,1043 9.159,1044 5.486,1045 15.132,1046 7.615,1047 11.283,1048 -0.879,1049 14.212,1050 -1.848,1051 8.744,1052 10.228,1053 6.158,1054 17.359,1055 8.547,1056 12.711,1057 -1.384,1058 16.062,1059 -2.601,1060 9.988,1061 11.752,1062 7.208,1063 19.869,1064 9.77,1065 3.312,1066 -1.404,1067 17.927,1068 -3.055,1069 11.064,1070 12.994,1071 7.992,1072 22.222,1073 10.84,1074 2.869,1075 11.655,1076 19.803,1077 -3.348,1078 12.256,1079 14.436,1080 8.963,1081 24.689,1082 12.017,1083 2.49,1084 9.374,1085 21.687,1086 4.115,1087 13.391,1088 15.76,1089 9.802,1090 27.096,1091 13.143,1092 2.034,1093 7.231,1094 23.578,1095 3.483,1096 14.57,1097 17.172,1098 10.734,1099 29.549,1100 14.311,1101 1.53,1102 6.051,1103 25.475,1104 3.27,1105 15.732,1106 18.537,1107 11.599,1108 31.98,1109 15.462,1110 1.162,1111 4.282,1112 27.378,1113 2.507,1114 16.911,1115 19.94,1116 12.512,1117 34.43,1118 16.629,1119 1.117,1120 2.836,1121 29.284,1122 1.874,1123 18.085,1124 21.325,1125 13.391,1126 36.872,1127 17.793,1128 3335,1129 5556,1130 13.929,1131 23.256,1132 31.726,1133 32.571,1134 32.682,1135 31.082,1136 31.156,1137 39.584,1138 6.501,1139 92.293,1140 29.655,1141 5.406,1142 5.73,1143 6.541,1144 5.36,1145 5.312,1146 6.802,1147 4.174,1148 19.201,1149 5.24,1150 9.052,1151 1.511,1152 1.551,1153 1.556,1154 1.48,1155 1.484,1156 1.885,1157 0.31,1158 4.395,1159 1.412,1160 4.102,1161 4.147,1162 4.045,1163 3.983,1164 7.432,1165 3.991,1166 3.896,1167 3.954,1168 3.831,1169 3.715,1170 4.966,1171 3.735,1172 3.722,1173 3.767,1174 3.651,1175 3.557,1176 4.746,1177 3.574,1178 3.308,1179 3.357,1180 3.162,1181 2.997,1182 4.502,1183 3.026,1184 3.079,1185 3.186,1186 2.83,1187 2.858,1188 4.073,1189 2.834,1190 2.945,1191 3.029,1192 2.768,1193 2.767,1194 3.785,1195 2.754,1196 2.798,1197 2.832,1198 2.615,1199 2.494,1200 3.659,1201 2.52,1202 2.474,1203 2.573,1204 2.265,1205 2.287,1206 3.333,1207 2.27,1208 0.215,1209 0.185,1210 0.33,1211 0.205,1212 0.158,1213 4.519,1214 0.196,1215 3.88,1216 0.116,1217 6.926,1218 0.555,1219 4.295,1220 0.155,1221 3.312,1222 4.115,1223 2.443,1224 11.655,1225 3.258,1226 1.716,1227 1.655,1228 1.866,1229 1.934,1230 1.094,1231 1.918,1232 1.592,1233 1.553,1234 1.748,1235 1.758,1236 0.987,1237 1.753,1238 1.39,1239 1.367,1240 1.632,1241 1.684,1242 0.835,1243 1.657,1244 1.367,1245 1.307,1246 1.57,1247 1.544,1248 0.667,1249 1.558,1250 1.267,1251 1.19,1252 1.469,1253 1.516,1254 0.574,1255 1.504,1256 1.097,1257 1.005,1258 1.456,1259 1.356,1260 0.52,1261 1.395,1262 1.011,1263 0.92,1264 1.33,1265 1.241,1266 0.397,1267 1.282,1268 0.763,1269 0.671,1270 1.11,1271 1.025,1272 0.201,1273 1.06,1274 3.761,1275 1.946,1276 5.094,1277 4.263,1278 6.613,1279 6.33,1280 8.222,1281 8.281,1282 9.889,1284 3.501,1290 1.696,1292 4.797,1294 0.355,1300 22.181,1301 56.573,1302 123.488,1303 166.608,1304 170.608,1305 172.608,1306 172.608,1307 26.405,1308 6.435,1309 49.05,1310 49.05,1311 13,1312 12.373,1313 3.585,1314 2.807,1315 27.894,1316 58,1317 56,1318 0.245,1319 136.621,1320 229.26,1321 325.116,1322 4412,1324 13.405,1325 0.706,1326 0.585,1327 13.405,1328 11.114,1329 9.203,1330 0.438,1331 0.304,1332 6.254,1333 8.708,1334 6.055,1335 5.024,1336 9.203,1337 6.385,1338 8.196,1339 0.273,1340 0.167,1341 8.196,1342 5.015,1343 6.981,1344 0.179,1345 0.092,1346 6.981,1347 3.607,1348 5.421,1349 0.111,1350 0.05,1351 5.421,1352 2.467,1353 3.436,1354 0.069,1355 0.029,1356 3.436,1357 1.449,1358 0.379,1359 58.643,1360 0.268,1361 19.09,1362 0.685,1363 102,1364 302.406,1365 113.142,1366 285.352,1367 386.94,1368 268,1369 123,1370 280.28,1371 134.867,1372 284.683,1373 412.36,1374 264,1375 5.041} {0 CHEMBL170754,1 1.433,2 8.455,3 3.274,4 10.716,5 88.282,6 6.782,7 0.478,8 3.839,9 3.964,10 3.31,11 3.374,12 4.952,13 3.33,14 4.355,15 4.55,16 3.677,17 3.747,18 5.474,19 3.686,20 4.587,21 4.781,22 3.655,23 3.918,24 5.616,25 3.812,26 4.838,27 5.114,28 3.605,29 3.977,30 5.711,31 3.824,32 4.663,33 4.894,34 3.603,35 3.925,36 5.6,37 3.782,38 4.737,39 5.014,40 3.584,41 3.866,42 5.651,43 3.727,44 4.549,45 4.773,46 3.494,47 3.82,48 5.487,49 3.681,50 4.714,51 4.984,52 3.326,53 3.718,54 5.77,55 3.551,56 0.036,57 0.603,58 9.772,59 4.183,60 9.223,61 5.714,62 0.197,63 0.959,64 17.249,65 6.545,66 36.734,67 9.431,68 0.167,69 1.193,70 21.813,71 8.102,72 25.705,73 11.624,74 0.308,75 1.327,76 29.507,77 10.794,78 53.934,79 15.554,80 0.128,81 1.217,82 23.635,83 9.605,84 26.115,85 13.692,86 0.35,87 1.212,88 26.728,89 9.451,90 42.664,91 13.862,92 0.096,93 1.083,94 21.004,95 8.512,96 24.947,97 12.129,98 0.266,99 1.126,100 26.354,101 8.84,102 52.805,103 12.788,104 43,105 33,106 0.251,107 0.619,108 0.769,109 0.796,110 0.796,111 0.796,112 3.147,113 0.951,114 -3.43,115 -3.41,116 -3.26,118 40.9,119 4,120 1,129 1,133 1,134 1,140 3,141 2,143 2,149 1,150 1,154 1,163 1,167 1,168 7,169 1,172 9,175 1,177 1,180 9,181 2,186 6,191 2,194 5,195 1,198 3,203 1,206 13,207 1,209 1,210 4,211 1,215 1,218 10,221 1,222 1,225 1,229 10,230 1,234 5,239 1,242 9,243 4,247 5,252 4,255 2,256 1,259 2,260 1,264 1,267 1,268 1,270 674,271 13.903,272 13.903,273 13.903,274 13.903,275 13.903,276 12.192,277 16.79,278 8.139,279 14.075,280 11.363,281 11.363,282 11.363,283 11.363,284 11.363,285 8.785,286 20.884,287 3.912,288 11.647,289 4.027,290 1.92,291 1.063,292 0.91,293 0.91,294 0.91,295 3.797,298 1,299 1,300 1,301 376,302 4,305 67.009,306 76.664,313 1.405,314 17.785,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 47,326 186,327 4.596,328 3.596,329 7.26,330 4.356,331 3.402,332 4.158,333 1.437,334 12.313,335 3.245,336 4.096,337 3.542,338 5.874,339 3.747,340 2.749,341 3.462,342 0.68,343 8.297,344 2.735,345 3.921,346 2.888,347 5.712,348 3.592,349 2.599,350 3.414,352 7.596,353 2.575,354 3.721,355 2.538,356 5.311,357 3.36,358 2.371,359 2.954,361 6.782,362 2.341,363 3.188,364 2.143,365 4.937,366 2.825,367 1.844,368 2.362,370 5.456,371 1.803,372 2.862,373 1.762,374 4.115,375 2.381,376 1.418,377 1.995,379 3.241,380 1.363,381 2.598,382 1.461,383 3.578,384 2.032,385 1.036,386 1.5,388 2.802,389 1.017,390 2.5,391 1.024,392 3.495,393 1.956,394 1,395 1.463,397 2.291,398 0.953,399 2.342,400 1,401 3.247,402 1.893,403 0.93,404 1.267,406 2.136,407 0.891,408 1.212,409 0.438,410 2.866,411 0.928,412 -0.06,413 -0.074,415 -0.162,416 -0.059,417 0.876,418 0.179,419 2.638,420 0.584,421 -0.405,422 -0.485,424 -1.072,425 -0.398,426 0.529,427 -0.202,428 2.4,429 0.13,430 -0.841,431 -1,433 -2,434 -0.812,435 0.5,436 -0.629,437 2,439 -1,440 -1,442 -2.105,443 -0.961,444 0.433,445 -1,446 2,448 -1,449 -1.07,451 -2.347,452 -0.974,453 0.106,454 -1,455 1.722,457 -1,458 -1.267,460 -3,461 -1,462 10.467,463 0.476,464 0.816,465 0.037,466 26.25,467 1.193,468 13,469 0.591,470 13.25,471 0.602,472 19.916,473 0.905,474 24.333,475 0.553,476 18.434,477 0.838,478 5.154,479 0.234,480 5.116,481 0.233,482 0.255,483 0.048,484 0.277,487 0.795,488 1.351,489 0.898,490 1.153,491 0.769,492 1.057,493 0.543,494 1.111,495 0.737,496 0.91,497 0.34,498 0.849,499 0.965,500 1.241,501 1.282,502 1.263,503 0.676,504 1.287,505 0.914,506 0.811,507 0.899,508 0.82,509 0.937,510 0.856,511 0.489,512 1.238,513 1.019,514 1.277,515 0.434,516 1.228,517 0.735,518 0.814,519 0.821,520 0.807,521 0.781,522 0.822,523 0.568,524 1.281,525 1.064,526 1.308,527 0.588,528 1.258,529 1.21,530 1.053,531 1.154,532 1.143,533 1.195,534 1.134,535 6.5,536 0.05,537 2.444,538 1.785,539 1.371,540 0.883,541 0.732,542 0.41,543 0.193,544 0.084,545 4276,546 11560,547 1.908,548 50,549 3,550 4,551 1,552 2,553 1,554 2,555 9,558 1.65,559 1.725,560 3.073,561 -0.354,562 1,563 1,565 1,567 63.049,568 1.433,569 3.54,570 4.396,571 4.549,572 4.549,573 4.549,574 2.556,575 3.88,576 4.428,577 3.241,578 748.753,579 7.636,580 8285.11,582 1,584 1,585 240.215,586 1.753,587 4.338,588 0.283,589 0.008,590 0.074,591 0.059,592 0.047,593 0.032,594 0.026,595 0.016,596 0.011,597 0.009,598 0.566,599 0.67,600 1,601 1.434,602 100.519,603 -0.039,604 -0.151,605 0.023,606 -0.032,607 -0.1,608 -0.006,609 0.212,610 0.012,611 0.209,612 0.128,613 0.285,614 0.163,615 -0.17,616 -0.093,617 -0.34,618 -0.247,619 -0.056,620 -0.298,621 -0.068,622 0.12,623 0.067,624 0.158,625 -0.073,626 0.133,627 0.062,628 -0.215,629 -0.103,630 -0.242,631 0.063,632 -0.204,633 0.111,634 0.139,635 0.151,636 0.155,637 0.017,638 0.156,639 0.009,640 -0.252,641 -0.147,642 -0.268,643 -0.033,644 -0.233,645 -0.092,646 -0.118,647 -0.156,648 -0.208,649 -0.038,650 -0.187,651 2.558,652 4,653 0.5,654 17.942,655 0.993,656 1.127,657 2.196,658 4.825,659 0.649,660 3.178,661 3.526,662 3.664,663 3.871,664 4.025,665 4.094,666 4.174,667 4.19,668 4.043,669 3.85,670 5.323,671 0.608,672 298.42,673 3.178,674 4.727,675 5.541,676 6.425,677 7.269,678 8.158,679 9.017,680 9.91,681 10.777,682 11.672,683 4.5,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 44,726 13,728 23,730 45,731 18,733 9,736 3,739 2,740 2,745 4,751 1,753 12,754 6,755 1,756 2,761 1,763 1,765 2,768 1,769 1,772 22,773 3,774 1,775 4,779 2,784 1,785 2,795 1,797 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 4,840 22,845 1,846 1,852 1,862 4.5,864 1,865 1,869 12.75,870 9.1,871 4.722,872 2.51,874 2.348,875 1.368,876 0.902,877 4.747,878 8.73,879 3.45,880 4.039,881 4.518,882 5.028,883 5.443,884 5.693,885 6.04,886 6.339,887 6.479,888 6.658,889 0.833,890 30,891 8.103,893 3.31,894 7.822,895 15.433,897 12.25,899 2.322,900 51.083,903 1,904 247.193,905 116.106,906 18.685,908 67.828,911 116.106,912 315.021,913 18.685,914 35.301,915 2.535,916 46.952,917 109.066,918 29.551,919 14.528,920 211.88,922 247.193,923 134.791,924 67.828,927 141.253,928 173.768,931 57.829,932 50.7,933 26.262,935 247.193,936 86.513,937 116.106,940 247.193,941 15.758,942 102.247,944 84.614,945 247.193,946 86.513,947 116.106,949 0.595,950 0.315,951 0.149,952 0.084,953 15,954 8,955 0.111,956 5,958 1,959 3.279,960 164.198,962 11,963 93.353,968 16.346,969 6.389,970 4.237,972 84.614,973 11.65,974 4.152,978 3.19,979 2.195,980 42.683,981 449.812,982 30.5,987 11,989 1.706,991 -0.559,994 43.694,995 49.567,996 0.262,997 0.648,998 0.805,999 0.833,1000 0.833,1001 0.833,1002 4.698,1003 1,1004 5.595,1005 2.802,1006 4.205,1007 4.723,1008 1.801,1009 6.438,1010 4.156,1011 5.946,1012 0.93,1013 7.191,1014 2.291,1015 4.111,1016 4.635,1018 7.656,1019 4.038,1020 7.276,1021 -0.06,1022 8.902,1023 2.136,1024 5.894,1025 6.886,1026 2.297,1027 10.648,1028 5.787,1029 8.64,1030 -0.405,1031 10.682,1032 -0.162,1033 6.553,1034 7.533,1036 12.67,1037 6.404,1038 10.033,1039 -0.841,1040 12.508,1041 -1.072,1042 7.928,1043 9.325,1044 2.933,1045 15.309,1046 7.742,1047 11.446,1048 -1,1049 14.366,1050 -2,1051 8.895,1052 10.323,1054 17.638,1055 8.656,1056 12.876,1057 -1,1058 16.25,1059 -2.105,1060 10.141,1061 11.912,1062 3.621,1063 20.183,1064 9.859,1065 3.402,1066 -1,1067 18.153,1068 -2.347,1069 11.243,1070 13.097,1072 22.626,1073 10.904,1074 2.749,1075 12.313,1076 20.072,1077 -3,1078 12.453,1079 14.59,1080 4.33,1081 25.146,1082 12.065,1083 2.599,1084 8.297,1085 22.003,1086 4.158,1087 13.616,1088 15.878,1090 27.631,1091 13.17,1092 2.371,1093 7.596,1094 23.945,1095 3.462,1096 14.821,1097 17.327,1098 5.048,1099 30.144,1100 14.323,1101 1.844,1102 6.782,1103 25.895,1104 3.414,1105 16.012,1106 18.672,1108 32.645,1109 15.458,1110 1.418,1111 5.456,1112 27.852,1113 2.954,1114 17.221,1115 20.102,1116 5.769,1117 35.156,1118 16.614,1119 1.036,1120 3.241,1121 29.814,1122 2.362,1123 18.427,1124 21.48,1126 37.663,1127 17.765,1128 4449,1129 7410,1130 14.216,1131 28.534,1132 35.78,1133 35.826,1134 35.404,1135 34.676,1136 34.697,1137 45.149,1138 4.233,1139 101.829,1140 33.846,1141 5.38,1142 5.596,1143 7.062,1144 5.392,1145 5.402,1146 7.158,1147 2.873,1148 19.893,1149 5.202,1150 14.029,1151 1.556,1152 1.558,1153 1.539,1154 1.508,1155 1.509,1156 1.963,1157 0.184,1158 4.427,1159 1.472,1160 4.067,1161 4.109,1162 4.015,1163 3.956,1164 7.475,1165 3.965,1166 3.834,1167 3.877,1168 3.77,1169 3.732,1170 6.351,1171 3.735,1172 3.682,1173 3.718,1174 3.599,1175 3.551,1176 4.912,1177 3.551,1178 3.495,1179 3.546,1180 3.357,1181 3.357,1182 4.761,1183 3.35,1184 3.09,1185 3.146,1186 2.967,1187 2.952,1188 4.27,1189 2.942,1190 2.994,1191 3.038,1192 2.812,1193 2.633,1194 4.089,1195 2.678,1196 2.874,1197 3.009,1198 2.62,1199 2.618,1200 3.842,1201 2.57,1202 2.874,1203 3.009,1204 2.499,1205 2.618,1206 3.718,1207 2.57,1208 0.2,1209 0.156,1210 0.316,1211 0.189,1212 0.148,1213 4.596,1214 0.181,1215 3.596,1216 0.062,1217 7.26,1218 0.535,1219 4.356,1220 0.141,1221 3.402,1222 4.158,1223 1.437,1224 12.313,1225 3.245,1226 1.885,1227 1.846,1228 2.022,1229 2.021,1230 1.241,1231 2.024,1232 1.782,1233 1.74,1234 1.96,1235 1.935,1236 1.106,1237 1.945,1238 1.719,1239 1.68,1240 1.871,1241 1.85,1242 0.971,1243 1.854,1244 1.403,1245 1.36,1246 1.607,1247 1.56,1248 0.721,1249 1.578,1250 1.248,1251 1.191,1252 1.487,1253 1.452,1254 0.59,1255 1.463,1256 0.934,1257 0.823,1258 1.417,1259 1.267,1260 0.469,1261 1.308,1262 0.934,1263 0.814,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.888,1269 0.804,1270 1.149,1271 1.239,1272 0.257,1273 1.227,1274 3.85,1276 5.187,1277 2.398,1278 6.688,1279 4.727,1280 8.262,1281 6.843,1282 9.878,1284 8.017,1289 9.031,1290 0.769,1296 -0.069,1300 26.74,1301 63.049,1302 155.751,1303 193.421,1304 200.176,1305 200.176,1306 200.176,1307 42.868,1308 6.382,1309 55.12,1310 55.12,1311 11,1312 12.203,1313 3.807,1314 3.087,1315 41.956,1316 68,1317 66,1318 0.305,1319 169.735,1320 294.54,1321 405.914,1322 3928,1324 16.328,1325 0.742,1326 0.614,1327 16.328,1328 13.498,1329 10.27,1330 0.447,1331 0.317,1332 7.224,1333 9.955,1334 6.815,1335 5.8,1336 10.27,1337 7.294,1338 10.267,1339 0.311,1340 0.196,1341 10.267,1342 6.476,1343 7.109,1344 0.187,1345 0.091,1346 7.109,1347 3.472,1348 5.403,1349 0.115,1350 0.051,1351 5.403,1352 2.394,1353 4.154,1354 0.076,1355 0.027,1356 4.154,1357 1.509,1358 0.465,1359 63.789,1360 0.265,1361 21.513,1362 0.878,1363 112,1364 305.175,1365 120.897,1366 301.349,1367 403.14,1368 278,1369 127,1370 291.653,1371 134.985,1372 302.479,1373 429.38,1374 279,1375 7.357} {0 CHEMBL170776,1 1.606,2 7.833,3 1.908,4 3.639,5 69.292,6 7.434,7 0.526,8 3.594,9 3.716,10 3.148,11 3.064,12 4.781,13 3.062,14 4.079,15 4.273,16 3.468,17 3.413,18 5.304,19 3.394,20 4.189,21 4.373,22 3.357,23 3.508,24 5.288,25 3.429,26 4.379,27 4.606,28 3.27,29 3.51,30 5.411,31 3.398,32 4.299,33 4.573,34 3.339,35 3.441,36 5.289,37 3.352,38 4.213,39 4.422,40 3.193,41 3.376,42 5.381,43 3.276,44 4.156,45 4.45,46 2.593,47 3.011,48 5.134,49 2.837,50 3.651,51 3.949,52 2.455,53 2.57,54 4.699,55 2.47,56 0.044,57 0.493,58 6.754,59 2.679,60 7.97,61 3.652,62 0.268,63 0.747,64 12.482,65 3.962,66 33.518,67 5.786,68 0.155,69 0.792,70 13.571,71 5.274,72 16.855,73 7.228,74 0.286,75 0.851,76 18.22,77 6.028,78 47.074,79 8.582,80 0.335,81 0.796,82 17.453,83 5.398,84 24.11,85 8.241,86 0.152,87 0.722,88 14.755,89 5.344,90 24.582,91 7.435,92 0.325,93 0.557,94 16.402,95 4.577,96 54.088,97 6.823,98 0.296,99 0.34,100 10.009,101 2.513,102 29.466,103 3.874,104 20,105 26,106 0.3,107 0.695,108 0.865,109 0.876,110 0.876,111 0.876,112 2.959,113 0.884,114 -2.28,115 -2.32,116 -2.28,118 39.4,119 1,123 1,124 1,133 1,134 1,140 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 4,175 1,177 1,180 2,181 2,185 1,186 4,191 2,194 2,198 2,199 1,206 2,207 1,209 2,210 3,213 1,215 1,218 1,219 1,222 3,227 1,234 2,235 1,246 1,247 1,250 1,259 1,260 1,270 360,271 11.776,272 11.776,273 11.776,274 11.776,275 11.776,276 10.076,277 13.152,278 6.934,279 12.062,280 9.336,281 9.336,282 9.336,283 9.336,284 9.336,285 6.878,286 16.555,287 3.282,288 9.788,289 3.438,290 1.318,291 0.409,292 0.349,293 0.349,294 0.349,295 3.606,299 1,300 1,301 289,302 3.162,305 106.739,313 1.519,314 15.274,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 141,327 4.423,328 3.594,329 6.444,330 3.999,331 3.049,332 4.105,333 1.437,334 9.885,335 2.9,336 4.017,337 3.173,338 5.761,339 3.628,340 2.641,341 3.485,342 0.522,343 7.641,344 2.596,345 3.878,346 2.633,347 5.421,348 3.405,349 2.477,350 3.326,352 7.028,353 2.287,354 3.187,355 2.164,356 4.954,357 2.806,358 1.83,359 2.366,361 5.446,362 1.778,363 2.68,364 1.785,365 3.921,366 2.169,367 1.223,368 1.657,370 2.934,371 1.149,372 2.563,373 1.284,374 3.526,375 2.095,376 1.133,377 1.586,379 2.569,380 1.085,381 2.519,382 1.186,383 3.401,384 1.98,385 1,386 1.419,388 2.297,389 0.968,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.305,400 0.464,401 2.731,402 1.107,403 0.137,404 0.154,406 0.332,407 0.132,408 0.814,409 0.38,410 2.322,411 0.484,412 -0.485,413 -0.602,415 -1.318,416 -0.466,417 0.47,418 -0.294,419 2,420 0.076,421 -0.866,422 -1.056,424 -2,425 -0.814,426 0.395,427 -0.623,428 1.643,430 -1,431 -1.274,433 -2.079,434 -0.961,435 0.017,436 -1.113,437 1.39,438 -0.405,439 -1.377,440 -1.687,442 -3.33,443 -1.322,444 -0.118,445 -1.187,446 1.261,447 -0.499,448 -1.451,449 -1.738,451 -3.963,452 -1.409,453 -0.16,454 -1.557,455 1.103,456 -0.671,457 -1.618,458 -2.315,460 -4.372,461 -1.476,462 8.367,463 0.465,464 0.511,465 0.028,466 23,467 1.278,468 11,469 0.611,470 12,471 0.667,472 11.898,473 0.661,474 19.833,475 0.601,476 15.466,477 0.859,478 4.916,479 0.273,480 3.659,481 0.203,482 0.199,484 0.335,487 0.852,488 1.61,489 0.799,490 1.21,491 0.734,492 1.028,493 0.731,494 0.961,495 0.801,496 0.775,497 0.383,498 0.768,499 0.806,500 1.161,501 1.147,502 1.297,503 0.685,504 1.282,505 1.131,506 1.199,507 1.181,508 1.171,509 1.203,510 1.198,511 0.54,512 0.654,513 0.704,514 0.677,515 0.416,516 0.699,517 0.967,518 1.322,519 1.161,520 1.442,521 0.997,522 1.36,523 1.302,524 0.809,525 1.1,526 0.861,527 1.482,528 0.944,529 1.124,530 0.369,531 0.812,532 0.373,533 1.347,534 0.512,535 4,536 0.04,537 2.222,538 1.264,539 0.675,540 0.629,541 0.289,542 0.103,543 0.117,544 0.08,545 2673,546 8501,547 1.963,548 45.5,549 3,550 8,551 1,552 2,553 1,558 1.585,559 1.8,560 2.983,561 -0.225,563 1,564 1,565 1,567 53.001,568 1.606,569 3.726,570 4.635,571 4.696,572 4.696,573 4.696,574 2.414,575 3.392,576 4.14,577 3.144,578 481.046,579 7.019,580 4611.35,581 1,582 1,584 1,585 166.465,586 1.53,587 4.076,588 0.211,589 0.01,590 0.085,591 0.057,592 0.036,593 0.029,594 0.017,595 0.013,596 0.015,597 0.01,598 0.482,599 0.5,600 1,601 1.409,602 76.849,603 -0.08,604 -0.39,605 0.034,606 -0.135,607 -0.095,608 -0.053,609 0.104,610 0.2,611 0.109,612 0.196,613 0.239,614 0.172,615 -0.085,616 -0.062,617 -0.276,618 -0.256,619 -0.018,620 -0.292,621 -0.177,622 -0.252,623 -0.226,624 -0.182,625 -0.204,626 -0.218,627 0.181,628 0.309,629 0.271,630 0.274,631 0.141,632 0.293,633 -0.077,634 -0.35,635 -0.234,636 -0.425,637 -0.039,638 -0.368,639 -0.17,640 -0.033,641 -0.039,642 0.054,643 -0.219,644 0.031,645 0.116,646 0.445,647 0.284,648 0.501,649 -0.07,650 0.434,651 2.563,652 3.788,653 0.556,654 13.556,655 1.008,656 1.133,657 1.051,658 1.104,659 0.651,660 2.996,661 3.296,662 3.497,663 3.638,664 3.638,665 3.689,666 3.738,667 3.714,668 3.555,669 3.367,670 4.943,671 0.626,672 245.31,673 2.996,674 4.511,675 5.333,676 6.184,677 7.029,678 7.885,679 8.738,680 9.598,681 10.455,682 11.317,683 9.1,691 2,693 1,699 5,700 1,704 2,705 2,706 10,724 33,726 12,728 19,730 34,731 13,733 7,736 3,739 2,740 2,745 1,753 10,754 3,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 5,778 1,779 3,784 1,785 2,797 1,801 2,818 1,822 1,823 1,830 1,832 2,836 2,840 18,845 1,846 1,862 6.1,864 1,865 1,869 10,870 6.467,871 4,872 1.751,874 2.172,875 1.364,876 0.927,877 3.675,878 8.133,879 3.296,880 3.882,881 4.391,882 4.87,883 5.025,884 5.359,885 5.721,886 5.977,887 6.084,888 6.227,889 1,890 22,891 6.594,893 2.685,894 7.954,895 12.35,897 9.569,899 2.454,900 44.167,901 0.001,904 164.795,905 84.078,906 20.584,908 67.828,911 84.078,912 232.624,913 20.584,914 17.222,915 2.106,916 37.476,917 117.684,918 16.031,919 17.285,920 129.482,922 164.795,923 104.662,924 67.828,927 164.795,928 67.828,931 32.395,932 46.005,933 26.262,935 164.795,936 88.412,937 84.078,940 164.795,941 11.715,942 76.162,944 84.614,945 164.795,946 88.412,947 84.078,949 0.584,950 0.334,951 0.153,952 0.071,953 12,954 6,955 0.118,956 4,958 1,959 3.036,960 120.599,962 10,963 75.059,968 12.647,969 5.23,970 2.916,972 84.614,973 9.286,974 3.99,978 1.974,979 3.944,980 42.683,981 337.286,982 26,987 10.788,989 1.666,991 -0.572,994 33.262,995 37.405,996 0.318,997 0.739,998 0.919,999 0.931,1000 0.931,1001 0.931,1002 4.505,1003 0.618,1004 5.323,1005 2.297,1006 3.97,1007 4.564,1008 1.736,1009 6.094,1010 3.881,1011 5.726,1012 0.137,1013 6.872,1014 1.372,1015 3.611,1016 4.369,1018 6.934,1019 3.475,1020 7.032,1021 -0.485,1022 8.521,1023 0.332,1024 5.533,1025 6.73,1026 2.269,1027 9.983,1028 5.355,1029 8.376,1030 -0.866,1031 10.225,1032 -1.318,1033 5.994,1034 7.387,1036 11.632,1037 5.764,1038 9.75,1039 -1,1040 11.963,1041 -2,1042 7.39,1043 9.17,1044 2.925,1045 14.193,1046 7.121,1047 11.143,1048 -1.377,1049 13.725,1050 -2.079,1051 8.196,1052 10.21,1054 16.18,1055 7.876,1056 12.552,1057 -1.451,1058 15.503,1059 -3.33,1060 9.398,1061 11.76,1062 3.619,1063 18.572,1064 9.038,1065 3.049,1066 -1.618,1067 17.293,1068 -3.963,1069 10.357,1070 12.982,1072 20.715,1073 9.946,1074 2.641,1075 9.885,1076 19.094,1077 -4.372,1078 11.486,1079 14.436,1080 4.33,1081 23.044,1082 11.033,1083 2.477,1084 7.641,1085 20.903,1086 4.105,1087 12.516,1088 15.747,1090 25.262,1091 12.012,1092 1.83,1093 7.028,1094 22.718,1095 3.485,1096 13.621,1097 17.163,1098 5.047,1099 27.566,1100 13.071,1101 1.223,1102 5.446,1103 24.539,1104 3.326,1105 14.685,1106 18.518,1108 29.82,1109 14.085,1110 1.133,1111 2.934,1112 26.365,1113 2.366,1114 15.784,1115 19.921,1116 5.769,1117 32.115,1118 15.135,1119 1,1120 2.569,1121 28.196,1122 1.657,1123 16.866,1124 21.3,1126 34.388,1127 16.166,1128 2763,1129 4995,1130 12.137,1131 21.495,1132 28.875,1133 28.857,1134 29.067,1135 28.241,1136 28.216,1137 38.051,1138 3.916,1139 79.008,1140 26.945,1141 5.207,1142 5.528,1143 6.059,1144 5.06,1145 5.049,1146 6.85,1147 2.873,1148 16.71,1149 4.848,1150 9.996,1151 1.52,1152 1.519,1153 1.53,1154 1.486,1155 1.485,1156 2.003,1157 0.206,1158 4.158,1159 1.418,1160 4.053,1161 4.104,1162 4.002,1163 3.913,1164 7.475,1165 3.928,1166 3.846,1167 3.906,1168 3.791,1169 3.652,1170 6.351,1171 3.68,1172 3.613,1173 3.639,1174 3.546,1175 3.457,1176 4.967,1177 3.47,1178 3.08,1179 3.186,1180 2.908,1181 2.858,1182 4.761,1183 2.835,1184 3.026,1185 3.06,1186 2.827,1187 2.805,1188 4.166,1189 2.802,1190 2.956,1191 3.036,1192 2.749,1193 2.632,1194 3.785,1195 2.672,1196 2.638,1197 2.726,1198 2.392,1199 2.428,1200 3.681,1201 2.412,1202 2.471,1203 2.571,1204 2.259,1205 2.276,1206 3.371,1207 2.259,1208 0.233,1209 0.189,1210 0.339,1211 0.21,1212 0.16,1213 4.423,1214 0.216,1215 3.594,1216 0.076,1217 6.444,1218 0.52,1219 3.999,1220 0.153,1221 3.049,1222 4.105,1223 1.437,1224 9.885,1225 2.9,1226 1.763,1227 1.726,1228 1.901,1229 1.952,1230 1.085,1231 1.937,1232 1.687,1233 1.638,1234 1.842,1235 1.849,1236 0.978,1237 1.847,1238 1.391,1239 1.33,1240 1.648,1241 1.645,1242 0.728,1243 1.643,1244 1.359,1245 1.306,1246 1.55,1247 1.529,1248 0.609,1249 1.533,1250 1.266,1251 1.189,1252 1.454,1253 1.497,1254 0.432,1255 1.495,1256 0.884,1257 0.814,1258 1.249,1259 1.268,1260 0.287,1261 1.235,1262 0.841,1263 0.771,1264 1.109,1265 1.125,1266 0.136,1267 1.159,1268 0.576,1269 0.485,1270 0.932,1271 0.867,1273 0.913,1274 3.664,1276 4.963,1277 3.045,1278 6.422,1279 5.283,1280 7.951,1281 7.248,1282 9.523,1284 3.512,1289 8.859,1290 0.719,1300 20.655,1301 53.001,1302 122.955,1303 152.955,1304 154.955,1305 154.955,1306 154.955,1307 26.432,1308 5.961,1309 60.05,1310 60.05,1311 10,1312 11.867,1313 3.7,1314 3,1315 31.054,1316 53,1317 43,1318 0.298,1319 131.495,1320 221.68,1321 312.608,1322 2343,1324 13.121,1325 0.729,1326 0.576,1327 13.121,1328 10.368,1329 8.575,1330 0.451,1331 0.295,1332 5.492,1333 8.157,1334 5.277,1335 4.448,1336 8.575,1337 5.596,1338 7.8,1339 0.3,1340 0.161,1341 7.8,1342 4.176,1343 6.319,1344 0.197,1345 0.09,1346 6.319,1347 2.87,1348 4.428,1349 0.12,1350 0.047,1351 4.428,1352 1.726,1353 2.924,1354 0.079,1355 0.027,1356 2.924,1357 0.998,1358 0.46,1359 54.341,1360 0.287,1361 18.199,1362 0.836,1363 90,1364 290.821,1365 100.367,1366 280.954,1367 373.55,1368 260,1369 103,1370 267.765,1371 113.372,1372 273.698,1373 389.82,1374 253,1375 6} {0 CHEMBL172198,1 1.466,2 16.974,3 7.358,4 54.134,5 146.458,6 7.401,7 0.524,8 4.318,9 4.425,10 3.879,11 3.909,12 5.42,13 3.879,14 4.868,15 5.027,16 4.222,17 4.31,18 5.972,19 4.252,20 5.158,21 5.369,22 4.265,23 4.45,24 6.128,25 4.361,26 5.187,27 5.408,28 4.242,29 4.463,30 6.109,31 4.363,32 5.202,33 5.413,34 4.276,35 4.492,36 6.182,37 4.385,38 5.272,39 5.499,40 4.269,41 4.507,42 6.26,43 4.394,44 5.248,45 5.481,46 4.139,47 4.416,48 6.296,49 4.293,50 5.145,51 5.401,52 4.028,53 4.202,54 6.226,55 4.096,56 0.022,57 0.972,58 13.747,59 6.758,60 11.683,61 8.437,62 0.217,63 1.638,64 26.21,65 11.479,66 49.429,67 14.842,68 0.351,69 2.115,70 38.452,71 15.414,72 68.456,73 20.136,74 0.346,75 2.164,76 39.675,77 15.629,78 52.527,79 20.857,80 0.43,81 2.178,82 39.844,83 16.562,84 56.477,85 22.006,86 0.385,87 2.303,88 44.07,89 18.09,90 72.633,91 23.743,92 0.429,93 2.293,94 44.131,95 17.522,96 94.322,97 22.486,98 0.39,99 2.012,100 41.417,101 15.338,102 86.727,103 19.972,104 12,105 57,106 0.228,107 0.585,108 0.785,109 0.89,110 0.89,111 0.89,112 3.667,113 0.944,114 -5.8,115 -5.66,116 -5.28,118 46.4,120 7,121 1,124 2,139 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 19,169 1,172 11,175 1,177 1,180 19,181 1,186 13,191 1,194 17,195 1,198 7,199 1,203 1,206 18,207 2,209 1,210 4,213 1,215 2,218 27,219 2,221 1,222 4,227 2,229 29,230 3,234 5,239 3,242 18,243 3,247 9,252 3,255 7,256 2,258 1,259 9,264 2,267 5,270 3218,271 26.12,272 26.12,273 26.12,274 26.12,275 26.12,276 22.961,277 25.368,278 15.952,279 26.475,280 20.835,281 20.835,282 20.835,283 20.835,284 20.835,285 16.054,286 23.775,287 7.705,288 21.44,289 4.643,290 2.338,291 1.051,292 0.377,293 0.377,294 0.377,295 4.377,301 1414,302 4.123,305 80.842,306 463.485,309 296.441,313 2.665,314 38.577,317 0.5,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.7,325 81.5,326 645,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.117,337 3.51,338 6.102,339 3.641,340 2.664,341 3.643,342 0.86,343 8.765,344 2.617,345 4.045,346 2.949,347 5.769,348 3.636,349 2.651,350 3.599,351 0.522,352 7.822,353 2.597,354 3.93,355 2.94,356 5.453,357 3.512,358 2.522,359 3.37,361 7.112,362 2.498,363 3.635,364 2.907,365 5.34,366 3.276,367 2.335,368 2.947,370 6.965,371 2.185,372 3.55,373 2.68,374 5.169,375 3.199,376 2.224,377 2.799,379 6.264,380 2.157,381 3.5,382 2.502,383 5.069,384 3.007,385 2.047,386 2.694,388 6.098,389 1.945,390 3.403,391 2.359,392 4.862,393 2.916,394 1.936,395 2.526,397 5.292,398 1.876,399 3.298,400 2.228,401 4.371,402 2.791,403 1.8,404 2.509,406 4.103,407 1.783,408 2.815,409 1.742,410 3.892,411 2.493,412 1.527,413 1.861,415 3.666,416 1.472,417 2.731,418 1.628,419 3.853,420 2.458,421 1.48,422 1.755,424 3.169,425 1.441,426 2.65,427 1.578,428 3.7,429 2.245,430 1.254,431 1.528,433 3.042,434 1.239,435 2.5,436 1.382,437 3.63,438 2.184,439 1.214,440 1.5,442 2.592,443 1.172,444 2.5,445 1.06,446 3.414,447 2,448 1,449 1.5,451 2.392,452 1,453 2.481,454 1,455 3.361,456 1.956,457 1,458 1.47,460 2.275,461 0.954,462 18.086,463 0.476,464 0.763,465 0.02,466 47.5,467 1.25,468 24,469 0.632,470 23.5,471 0.618,472 36.394,473 0.958,474 40.114,475 0.581,476 37.075,477 0.976,478 9.096,479 0.239,480 9.484,481 0.25,482 0.053,484 0.299,486 1,487 0.69,488 1.059,489 0.777,490 1.018,491 0.6,492 0.934,493 0.701,494 1.062,495 0.901,496 1.052,497 0.466,498 1.016,499 0.985,500 1.006,501 0.995,502 0.977,503 0.863,504 0.987,505 0.872,506 0.945,507 1.019,508 0.989,509 0.686,510 1.014,511 0.716,512 0.939,513 0.99,514 1.072,515 0.796,516 1.082,517 0.887,518 0.985,519 0.985,520 1.056,521 1.011,522 1.045,523 1.188,524 1.11,525 1.128,526 1.113,527 1.361,528 1.114,529 1.232,530 1.053,531 0.955,532 1.009,533 1.247,534 0.947,535 6,536 0.189,537 2.889,538 2.424,539 1.72,540 1.4,541 0.824,542 0.499,543 0.479,544 0.202,545 27242,546 71702,547 2.129,548 44.9,549 10,550 13,552 2,553 1,554 3,555 2,558 1.781,559 2.036,560 3.911,561 -0.453,567 101.153,568 1.466,569 3.771,570 5.057,571 5.732,572 5.732,573 5.732,574 3.323,575 4.827,576 5.21,577 4.207,578 2957.76,579 9.147,580 53300.9,585 421.488,586 1.226,587 5.198,588 0.143,589 0.007,590 0.051,591 0.042,592 0.031,593 0.025,594 0.015,595 0.011,596 0.012,597 0.006,598 0.34,599 0.17,600 0.63,601 0.703,602 216.613,603 -0.025,604 -0.052,605 0.042,606 0.006,607 -0.014,608 0.028,609 0.05,610 -0.079,611 -0.017,612 -0.056,613 0.135,614 -0.049,615 -0.09,616 -0.035,617 -0.039,618 0.009,619 -0.072,620 -0.005,621 -0.08,622 0.001,623 -0.07,624 -0.016,625 -0.038,626 -0.033,627 0.068,628 -0.02,629 -0.05,630 -0.077,631 -0.016,632 -0.087,633 -0.004,634 -0.042,635 -0.014,636 -0.054,637 -0.065,638 -0.039,639 -0.095,640 -0.078,641 -0.119,642 -0.112,643 -0.121,644 -0.118,645 -0.03,646 -0.046,647 0.101,648 -0.029,649 -0.007,650 0.046,651 2.465,652 6.127,653 0.658,654 58.249,655 0.999,656 1.119,657 4.572,658 20.907,659 0.677,660 3.761,661 4.06,662 4.331,663 4.654,664 4.949,665 5.075,666 5.257,667 5.434,668 5.493,669 5.553,670 9.878,671 0.645,672 510.65,673 3.761,674 5.293,675 6.138,676 7.017,677 7.892,678 8.788,679 9.682,680 10.591,681 11.498,682 12.416,683 2.9,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 69,726 24,727 2,728 42,730 73,731 32,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 7,752 2,753 20,754 10,755 1,756 1,761 1,765 1,770 1,772 31,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,809 2,818 1,830 1,832 3,838 1,840 38,845 1,846 9,848 1,850 1,853 1,860 2,861 1,862 4.3,864 1,865 1,867 1,869 18.667,870 12.326,871 8.417,872 4.454,874 4.976,875 1.573,876 0.984,877 8.413,878 13.662,879 4.043,880 4.627,881 5.214,882 5.841,883 6.418,884 6.732,885 7.168,886 7.589,887 7.828,888 8.107,889 0.909,890 58,891 14.129,893 6.059,894 7.772,895 27.188,897 22.722,899 2.272,900 86.333,904 353.133,905 194.187,906 18.685,908 78.828,909 14.96,911 194.187,912 431.961,913 33.645,915 24.44,916 85.286,917 109.066,918 57.488,919 53.922,920 329.591,922 353.133,923 212.872,924 93.788,927 344.551,928 102.37,931 44.434,932 117.591,933 50.847,935 368.093,936 97.513,937 194.187,940 353.133,941 56.745,942 105.28,943 34.061,944 110.574,945 353.133,946 112.473,947 194.187,949 0.568,950 0.318,951 0.183,952 0.11,953 26,954 11,955 0.123,956 9,957 2,958 1.16,959 5.012,960 360.929,961 0.16,962 25,963 195.421,968 26.015,969 12.289,970 6.461,971 1.862,972 110.574,973 20.285,974 4.063,978 4.724,979 2.194,980 42.683,981 659.793,982 56,987 11.581,991 -0.798,994 68.952,995 77.193,996 0.24,997 0.617,998 0.828,999 0.938,1000 0.938,1001 0.938,1002 5.276,1003 1.936,1004 6.098,1005 6.098,1006 4.745,1007 5.316,1008 2.45,1009 6.897,1010 4.69,1011 6.477,1012 1.8,1013 7.636,1014 5.292,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.781,1021 1.527,1022 9.28,1023 4.103,1024 6.304,1025 7.52,1026 3.661,1027 10.961,1028 6.2,1029 9.121,1030 1.48,1031 10.994,1032 3.666,1033 6.635,1034 8.136,1035 4.112,1036 12.822,1037 6.489,1038 10.498,1039 1.254,1040 12.758,1041 3.169,1042 8.177,1043 10.069,1044 5.206,1045 15.535,1046 8.021,1047 11.902,1048 1.214,1049 14.558,1050 3.042,1051 8.956,1052 11.151,1053 5.889,1054 17.812,1055 8.761,1056 13.33,1057 1,1058 16.388,1059 2.592,1060 10.273,1061 12.849,1062 6.849,1063 20.391,1064 10.061,1065 3.405,1066 1,1067 18.242,1068 2.392,1069 11.284,1070 14.177,1071 7.625,1072 22.831,1073 11.035,1074 2.664,1075 12.577,1076 20.116,1077 2.275,1078 12.518,1079 15.779,1080 8.526,1081 25.373,1082 12.247,1083 2.651,1084 8.765,1085 22.007,1086 4.744,1087 13.642,1088 17.228,1089 9.342,1090 27.872,1091 13.336,1092 2.522,1093 7.822,1094 23.911,1095 3.643,1096 14.854,1097 18.795,1098 10.216,1099 30.405,1100 14.522,1101 2.335,1102 7.112,1103 25.826,1104 3.599,1105 16.03,1106 20.301,1107 11.051,1108 32.925,1109 15.664,1110 2.224,1111 6.965,1112 27.752,1113 3.37,1114 17.24,1115 21.856,1116 11.912,1117 35.456,1118 16.846,1119 2.047,1120 6.264,1121 29.685,1122 2.947,1123 18.44,1124 23.389,1125 12.755,1126 37.983,1127 18.015,1128 25451,1129 41449,1130 28.72,1131 46.733,1132 63.213,1133 63.607,1134 62.887,1135 61.785,1136 61.694,1137 81.306,1138 7.445,1139 172.291,1140 59.929,1141 5.744,1142 5.655,1143 7.021,1144 5.432,1145 5.405,1146 7.744,1147 3.925,1148 20.11,1149 5.308,1150 15.132,1151 1.505,1152 1.514,1153 1.497,1154 1.471,1155 1.469,1156 1.936,1157 0.177,1158 4.102,1159 1.427,1160 4.195,1161 4.226,1162 4.16,1163 4.111,1164 8.201,1165 4.119,1166 3.912,1167 3.94,1168 3.85,1169 3.838,1170 7.474,1171 3.837,1172 3.877,1173 3.908,1174 3.822,1175 3.802,1176 6.351,1177 3.802,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.975,1183 3.629,1184 3.668,1185 3.727,1186 3.525,1187 3.544,1188 4.89,1189 3.531,1190 3.467,1191 3.492,1192 3.386,1193 3.263,1194 4.798,1195 3.279,1196 3.39,1197 3.445,1198 3.285,1199 3.224,1200 4.581,1201 3.23,1202 3.293,1203 3.346,1204 3.183,1205 3.155,1206 4.333,1207 3.154,1208 0.114,1209 0.087,1210 0.17,1211 0.104,1212 0.081,1213 4.794,1214 0.113,1215 3.655,1216 0.056,1217 7.157,1218 0.299,1219 4.376,1220 0.079,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.067,1230 1.45,1231 2.065,1232 1.934,1233 1.904,1234 2.05,1235 2.028,1236 1.275,1237 2.042,1238 1.862,1239 1.83,1240 1.989,1241 1.972,1242 1.223,1243 1.978,1244 1.827,1245 1.795,1246 1.948,1247 1.943,1248 1.091,1249 1.946,1250 1.677,1251 1.621,1252 1.898,1253 1.835,1254 0.944,1255 1.863,1256 1.4,1257 1.366,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.352,1263 1.301,1264 1.568,1265 1.559,1266 0.774,1267 1.562,1268 1.281,1269 1.225,1270 1.498,1271 1.459,1272 0.718,1273 1.478,1274 4.443,1276 5.746,1277 2.398,1278 7.244,1279 4.949,1280 8.84,1281 7.248,1282 10.497,1286 14.127,1289 9.508,1290 6.633,1292 5.924,1294 -0.066,1299 6.297,1300 44.472,1301 101.153,1302 260.194,1303 348.959,1304 395.488,1305 395.488,1306 395.488,1307 77.283,1308 8.686,1309 64.35,1310 64.35,1311 29,1312 12.929,1313 4.644,1314 3.907,1315 59.701,1316 222,1317 266,1318 0.127,1319 269.478,1320 476.88,1321 649.286,1322 93290,1323 1.4,1324 26.321,1325 0.693,1326 0.561,1327 25.451,1328 21.328,1329 18.581,1330 0.442,1331 0.315,1332 13.081,1333 18.015,1334 12.831,1335 10.576,1336 18.187,1337 13.212,1338 16.443,1339 0.288,1340 0.172,1341 15.809,1342 9.791,1343 13.258,1344 0.177,1345 0.094,1346 12.916,1347 7.085,1348 11.5,1349 0.111,1350 0.052,1351 11.279,1352 5.368,1353 9.93,1354 0.071,1355 0.029,1356 9.649,1357 4.006,1358 0.209,1359 115.45,1360 0.187,1361 35.5,1362 0.323,1363 198,1364 593.022,1365 213.937,1366 550.641,1367 744.26,1368 516,1369 231,1370 536.088,1371 245.219,1372 538.428,1373 783.69,1374 509,1375 6.398} {0 CHEMBL174388,1 1.461,2 15.297,3 7.223,4 52.178,5 142.496,6 7.152,7 0.537,8 4.33,9 4.442,10 3.862,11 3.904,12 5.391,13 3.869,14 4.895,15 5.062,16 4.212,17 4.319,18 5.958,19 4.254,20 5.204,21 5.423,22 4.258,23 4.472,24 6.115,25 4.371,26 5.262,27 5.498,28 4.255,29 4.497,30 6.125,31 4.386,32 5.281,33 5.503,34 4.29,35 4.527,36 6.218,37 4.412,38 5.329,39 5.565,40 4.291,41 4.533,42 6.28,43 4.417,44 5.297,45 5.534,46 4.202,47 4.439,48 6.331,49 4.326,50 5.193,51 5.439,52 4.112,53 4.267,54 6.264,55 4.17,56 0.029,57 1.007,58 14.813,59 7.065,60 9.95,61 9.024,62 0.23,63 1.697,64 28.103,65 12.023,66 47.476,67 15.898,68 0.367,69 2.191,70 41.116,71 16.169,72 61.71,73 21.681,74 0.378,75 2.291,76 43.911,77 16.718,78 48.647,79 23.013,80 0.577,81 2.31,82 44.657,83 17.663,84 57.356,85 23.903,86 0.372,87 2.398,88 47.461,89 18.891,90 66.56,91 25.26,92 0.47,93 2.353,94 46.995,95 17.88,96 92.456,97 23.333,98 0.513,99 2.054,100 43.302,101 15.627,102 86.532,103 20.342,104 12,105 56,106 0.227,107 0.549,108 0.755,109 0.887,110 0.909,111 0.909,112 3.642,113 0.967,114 -5.69,115 -5.55,116 -5.18,118 44.3,120 8,121 1,124 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 18,169 1,172 11,175 1,177 1,180 18,181 1,186 13,191 1,194 16,195 1,198 6,199 1,203 1,206 17,207 2,209 2,210 5,213 1,215 2,218 26,219 2,222 4,227 2,229 24,230 3,234 9,239 3,242 16,243 3,246 1,247 10,252 3,255 11,256 1,259 3,260 1,264 1,267 10,268 1,270 2953,271 25.413,272 25.413,273 25.413,274 25.413,275 25.413,276 22.553,277 25.702,278 15.49,279 25.768,280 20.352,281 20.352,282 20.352,283 20.352,284 20.352,285 16.01,286 25.684,287 7.477,288 20.954,289 4.669,290 2.599,291 1.275,292 0.429,293 0.286,294 0.286,295 4.352,301 1241,302 4,305 71.324,306 424.422,309 264.934,313 2.365,314 36.949,317 0.5,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.6,325 79.5,326 566,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.075,337 3.51,338 6.102,339 3.673,340 2.7,341 3.676,342 0.86,343 8.765,344 2.63,345 3.93,346 2.978,347 5.785,348 3.639,349 2.651,350 3.444,351 0.522,352 8.001,353 2.615,354 3.896,355 2.91,356 5.537,357 3.512,358 2.522,359 3.37,361 7.23,362 2.498,363 3.621,364 2.719,365 5.34,366 3.249,367 2.306,368 2.928,370 6.965,371 2.171,372 3.53,373 2.63,374 5.147,375 3.182,376 2.207,377 2.787,379 6.184,380 2.132,381 3.356,382 2.495,383 4.966,384 2.968,385 2.01,386 2.605,388 5.833,389 1.903,390 3.272,391 2.216,392 4.852,393 2.903,394 1.927,395 2.502,397 5.273,398 1.865,399 2.961,400 1.824,401 4.37,402 2.724,403 1.738,404 2.12,406 4.097,407 1.713,408 2.767,409 1.656,410 3.892,411 2.468,412 1.496,413 1.827,415 3.571,416 1.448,417 2.705,418 1.581,419 3.817,420 2.436,421 1.465,422 1.728,424 3.097,425 1.418,426 2.643,427 1.389,428 3.699,429 2.257,430 1.266,431 1.68,433 3.042,434 1.251,435 2.5,436 1.311,437 3.596,438 2.198,439 1.207,440 1.5,442 2.705,443 1.194,444 2.48,445 1.138,446 3.485,447 1.969,448 1,449 1.47,451 2.335,452 0.963,453 2.193,454 1.009,455 3.247,456 1.953,457 1,458 1.146,460 2.14,461 0.95,462 17.586,463 0.475,464 0.763,465 0.021,466 45,467 1.216,468 22,469 0.595,470 23,471 0.622,472 37.139,473 1.004,474 40.014,475 0.572,476 34.877,477 0.943,478 8.439,479 0.228,480 9.642,481 0.261,482 0.054,484 0.307,486 1,487 0.689,488 1.101,489 0.806,490 1.066,491 0.598,492 0.977,493 0.688,494 1.091,495 0.918,496 1.088,497 0.447,498 1.048,499 0.947,500 1.021,501 0.994,502 1.002,503 0.827,504 1.006,505 0.827,506 0.935,507 0.986,508 0.982,509 0.635,510 0.996,511 0.774,512 0.906,513 1.001,514 1.032,515 0.778,516 1.056,517 0.904,518 0.986,519 0.95,520 1.04,521 0.975,522 1.011,523 1.243,524 1.085,525 1.078,526 1.075,527 1.334,528 1.054,529 1.358,530 1.019,531 0.99,532 0.984,533 1.25,534 0.937,535 6,536 0.173,537 2.667,538 2.674,539 1.64,540 1.344,541 0.786,542 0.58,543 0.438,544 0.242,545 23579,546 59101,547 2.133,548 47.1,549 12,550 13,552 2,553 1,554 3,555 2,558 1.779,559 2.037,560 3.788,561 -0.445,567 102.25,568 1.461,569 3.53,570 4.854,571 5.701,572 5.844,573 5.844,574 3.212,575 4.831,576 5.172,577 4.059,578 2703.27,579 9.095,580 45904.9,585 429.05,586 1.241,587 5.159,588 0.146,589 0.005,590 0.048,591 0.047,592 0.029,593 0.024,594 0.014,595 0.012,596 0.01,597 0.007,598 0.341,599 0.17,600 0.5,601 0.716,602 206.603,603 -0.022,604 -0.054,605 0.046,606 0.007,607 -0.012,608 0.03,609 0.052,610 -0.086,611 -0.018,612 -0.062,613 0.142,614 -0.054,615 -0.079,616 -0.047,617 -0.039,618 -0.005,619 -0.065,620 -0.016,621 -0.06,622 0.008,623 -0.033,624 -0.007,625 -0.021,626 -0.01,627 0.068,628 0.014,629 -0.048,630 -0.039,631 -0.017,632 -0.063,633 -0.023,634 -0.044,635 0.019,636 -0.039,637 -0.054,638 -0.008,639 -0.089,640 -0.055,641 -0.067,642 -0.083,643 -0.103,644 -0.071,645 -0.044,646 -0.014,647 0.055,648 -0.013,649 -0.012,650 0.031,651 2.461,652 6.163,653 0.676,654 51.17,655 0.998,656 1.123,657 4.457,658 19.865,659 0.664,660 3.738,661 4.043,662 4.317,663 4.654,664 4.942,665 5.075,666 5.263,667 5.442,668 5.501,669 5.565,670 8.913,671 0.629,672 500.66,673 3.738,674 5.273,675 6.12,676 7.004,677 7.881,678 8.782,679 9.677,680 10.59,681 11.498,682 12.418,683 2.9,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 70,726 23,727 2,728 41,730 74,731 31,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 8,753 20,754 11,755 1,756 1,761 1,765 1,770 1,772 33,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,818 1,830 1,832 3,838 1,840 37,845 1,846 10,848 1,850 1,861 1,862 4.3,864 1,865 1,867 1,869 18.167,870 12.326,871 8.167,872 4.579,874 4.144,875 1.479,876 0.982,877 8.207,878 12.791,879 3.989,880 4.577,881 5.153,882 5.788,883 6.358,884 6.669,885 7.106,886 7.548,887 7.791,888 8.073,889 0.9,890 57,891 13.796,893 5.947,894 7.739,895 26.739,897 22.615,899 2.239,900 82.833,904 376.675,905 162.66,906 18.685,908 78.828,909 14.96,911 162.66,912 455.503,913 33.645,915 26.974,916 85.286,917 109.066,918 57.488,919 19.861,920 353.133,922 376.675,923 181.345,924 93.788,927 368.093,928 102.37,931 46.968,932 117.591,933 16.786,935 391.635,936 97.513,937 162.66,940 376.675,941 59.279,942 105.28,944 110.574,945 376.675,946 112.473,947 162.66,949 0.569,950 0.319,951 0.187,952 0.111,953 26,954 11,955 0.149,956 11,957 2,958 1.16,959 4.842,960 355.967,961 0.16,962 25,963 192.75,968 25.479,969 11.918,970 6.22,971 1.868,972 110.574,973 20.83,974 4.166,978 5.077,979 2.203,980 42.683,981 651.808,982 53,987 11.611,991 -0.795,994 69.836,995 78.608,996 0.238,997 0.576,998 0.792,999 0.93,1000 0.953,1001 0.953,1002 5.218,1003 1.927,1004 6.084,1005 5.833,1006 4.727,1007 5.265,1008 2.45,1009 6.891,1010 4.672,1011 6.406,1012 1.738,1013 7.626,1014 5.273,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.703,1021 1.496,1022 9.274,1023 4.097,1024 6.293,1025 7.463,1026 3.661,1027 10.966,1028 6.187,1029 9.039,1030 1.465,1031 10.991,1032 3.571,1033 6.635,1034 8.123,1035 4.112,1036 12.826,1037 6.489,1038 10.414,1039 1.266,1040 12.757,1041 3.097,1042 8.173,1043 10.022,1044 5.206,1045 15.541,1046 8.016,1047 11.818,1048 1.207,1049 14.559,1050 3.042,1051 8.96,1052 11.135,1053 5.889,1054 17.817,1055 8.765,1056 13.248,1057 1,1058 16.39,1059 2.705,1060 10.275,1061 12.817,1062 6.849,1063 20.396,1064 10.062,1065 3.405,1066 1,1067 18.245,1068 2.335,1069 11.29,1070 14.163,1071 7.625,1072 22.834,1073 11.041,1074 2.7,1075 12.577,1076 20.12,1077 2.14,1078 12.524,1079 15.759,1080 8.526,1081 25.376,1082 12.252,1083 2.651,1084 8.765,1085 22.011,1086 4.744,1087 13.648,1088 17.218,1089 9.342,1090 27.874,1091 13.342,1092 2.522,1093 8.001,1094 23.915,1095 3.676,1096 14.86,1097 18.783,1098 10.216,1099 30.407,1100 14.527,1101 2.306,1102 7.23,1103 25.83,1104 3.444,1105 16.036,1106 20.294,1107 11.051,1108 32.926,1109 15.67,1110 2.207,1111 6.965,1112 27.755,1113 3.37,1114 17.246,1115 21.85,1116 11.912,1117 35.457,1118 16.851,1119 2.01,1120 6.184,1121 29.688,1122 2.928,1123 18.445,1124 23.385,1125 12.755,1126 37.984,1127 18.02,1128 22065,1129 35114,1130 28.027,1131 46.495,1132 60.675,1133 61.835,1134 61.508,1135 60.474,1136 60.387,1137 78.084,1138 7.445,1139 169.612,1140 58.621,1141 5.744,1142 5.655,1143 6.983,1144 5.433,1145 5.405,1146 7.744,1147 3.925,1148 20.111,1149 5.308,1150 14.735,1151 1.48,1152 1.508,1153 1.5,1154 1.475,1155 1.473,1156 1.904,1157 0.182,1158 4.137,1159 1.43,1160 4.196,1161 4.227,1162 4.161,1163 4.111,1164 8.201,1165 4.119,1166 3.92,1167 3.957,1168 3.85,1169 3.839,1170 7.474,1171 3.837,1172 3.883,1173 3.913,1174 3.816,1175 3.8,1176 6.351,1177 3.798,1178 3.739,1179 3.779,1180 3.646,1181 3.635,1182 4.913,1183 3.629,1184 3.649,1185 3.711,1186 3.495,1187 3.514,1188 4.878,1189 3.501,1190 3.467,1191 3.492,1192 3.385,1193 3.263,1194 4.795,1195 3.278,1196 3.377,1197 3.439,1198 3.265,1199 3.197,1200 4.348,1201 3.205,1202 3.283,1203 3.352,1204 3.123,1205 3.111,1206 4.214,1207 3.102,1208 0.117,1209 0.089,1210 0.175,1211 0.107,1212 0.083,1213 4.794,1214 0.116,1215 3.655,1216 0.057,1217 7.157,1218 0.307,1219 4.376,1220 0.081,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.067,1230 1.45,1231 2.065,1232 1.934,1233 1.904,1234 2.055,1235 2.028,1236 1.353,1237 2.042,1238 1.881,1239 1.841,1240 2.036,1241 2.006,1242 1.226,1243 2.019,1244 1.827,1245 1.794,1246 1.95,1247 1.943,1248 1.098,1249 1.946,1250 1.657,1251 1.598,1252 1.88,1253 1.822,1254 1.056,1255 1.847,1256 1.4,1257 1.365,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.341,1263 1.28,1264 1.595,1265 1.558,1266 0.786,1267 1.567,1268 1.279,1269 1.21,1270 1.524,1271 1.49,1272 0.739,1273 1.512,1274 4.419,1276 5.727,1277 2.398,1278 7.229,1279 4.949,1280 8.831,1281 7.248,1282 10.493,1286 14.163,1289 9.533,1290 8.185,1292 6.059,1294 -0.067,1300 43.999,1301 102.25,1302 247.109,1303 339.791,1304 399.05,1305 409.05,1306 409.05,1307 75.672,1308 8.647,1309 64.35,1310 64.35,1311 29,1312 12.93,1313 4.585,1314 3.7,1315 57.039,1316 193,1317 241,1318 0.139,1319 265.74,1320 464.86,1321 640.166,1322 87064,1323 1.4,1324 25.614,1325 0.692,1326 0.569,1327 24.744,1328 21.035,1329 18.081,1330 0.441,1331 0.322,1332 13.081,1333 17.515,1334 12.838,1335 10.58,1336 17.687,1337 13.212,1338 16.101,1339 0.288,1340 0.178,1341 15.468,1342 9.966,1343 12.933,1344 0.175,1345 0.099,1346 12.591,1347 7.302,1348 11.446,1349 0.11,1350 0.054,1351 11.225,1352 5.648,1353 9.78,1354 0.07,1355 0.03,1356 9.499,1357 4.19,1358 0.225,1359 112.45,1360 0.189,1361 34.296,1362 0.365,1363 194,1364 565.022,1365 209.937,1366 520.771,1367 703.88,1368 488,1369 227,1370 508.088,1371 241.219,1372 508.72,1373 742.63,1374 481,1375 6.523} {0 CHEMBL1744226,1 1.649,2 9.273,3 2.483,4 6.167,5 123.023,6 7.704,7 0.314,8 4.176,9 4.282,10 3.753,11 3.637,12 5.384,13 3.643,14 4.699,15 4.863,16 4.09,17 4.004,18 5.967,19 3.993,20 4.892,21 5.076,22 4.192,23 4.168,24 5.978,25 4.148,26 5.026,27 5.168,28 4.4,29 4.287,30 6.335,31 4.292,32 5.203,33 5.357,34 4.489,35 4.402,36 6.461,37 4.406,38 5.308,39 5.471,40 4.615,41 4.481,42 6.63,43 4.474,44 5.449,45 5.64,46 4.547,47 4.498,48 6.858,49 4.461,50 5.416,51 5.647,52 4.22,53 4.402,54 6.536,55 4.303,56 0.208,57 0.841,58 11.541,59 5.253,60 15.431,61 6.612,62 0.668,63 1.283,64 22.782,65 8.354,66 74.022,67 11.041,68 0.558,69 1.516,70 28.375,71 10.195,72 57.958,73 13.503,74 0.785,75 1.694,76 31.23,77 11.528,78 94.185,79 14.303,80 0.93,81 1.937,82 39.005,83 13.433,84 128.883,85 16.685,86 1.386,87 2.172,88 43.294,89 14.751,90 128.614,91 19.341,92 1.964,93 2.304,94 53.637,95 16.052,96 260.149,97 21.666,98 1.536,99 2.148,100 54.604,101 16.28,102 181.752,103 22.512,104 67,105 48,106 0.267,107 0.643,108 0.82,109 0.847,110 0.869,111 0.885,112 3.533,113 0.908,114 -3.44,115 -3.42,116 -3.27,118 39,119 3,120 1,121 1,124 3,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 12,175 1,177 1,180 10,186 11,191 1,194 8,197 4,198 22,201 1,203 4,206 12,210 11,215 1,218 6,221 8,222 19,225 4,227 3,229 10,233 8,234 10,237 2,239 1,242 4,246 4,247 11,250 1,252 1,255 6,258 2,259 6,267 2,270 2072,271 22.173,272 22.173,273 22.173,274 22.173,275 22.173,276 19.61,277 26.992,278 13.371,279 22.805,280 17.187,281 17.187,282 17.187,283 17.187,284 17.187,285 13.317,286 28.964,287 6.116,288 17.96,289 4.233,290 1.91,291 0.818,292 0.649,293 0.513,294 0.411,295 4.209,299 1,300 1,301 630,302 4.359,305 101.836,306 221.473,313 1.433,314 53.651,317 1,318 0.5,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.8,325 74,326 306,327 4.696,328 3.937,329 7.2,330 4.383,331 3.391,332 4.241,333 2.612,334 12.709,335 3.361,336 4.326,337 3.772,338 6.405,339 3.854,340 2.879,341 3.957,342 1.674,343 9.706,344 2.807,345 4.114,346 3.49,347 6.322,348 3.71,349 2.723,350 3.506,351 1.36,352 9.33,353 2.683,354 3.919,355 2.952,356 5.463,357 3.455,358 2.535,359 3.468,360 1.216,361 7.053,362 2.331,363 3.617,364 2.878,365 5.342,366 3.138,367 2.181,368 2.995,369 1.045,370 6.586,371 2.081,372 3.486,373 2.637,374 5.108,375 3.018,376 2.045,377 2.687,378 0.391,379 5.758,380 1.981,381 3.158,382 2.417,383 4.767,384 2.779,385 1.82,386 2.254,388 4.868,389 1.731,390 3.002,391 2.139,392 4.466,393 2.635,394 1.648,395 2.113,397 3.967,398 1.624,399 2.661,400 1.809,401 3.73,402 2.251,403 1.311,404 1.708,406 2.913,407 1.23,408 2.617,409 1.564,410 3.662,411 2.159,412 1.207,413 1.602,415 2.789,416 1.142,417 2.488,418 1.382,419 3.466,420 2,421 1.02,422 1.473,424 2.304,425 1,426 2.128,427 1.344,428 3.413,429 1.953,430 1,431 1.085,433 1.935,434 0.94,435 2.118,436 1.26,437 3.254,438 1.821,439 0.852,440 0.946,442 1.47,443 0.815,444 2.033,445 1,446 3,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.751,454 0.888,455 2.905,456 1.486,457 0.517,458 0.599,460 1.118,461 0.498,462 15.1,463 0.458,464 0.789,465 0.024,466 40.5,467 1.227,468 19,469 0.576,470 21.5,471 0.652,472 32.675,473 0.99,474 37.1,475 0.629,476 37.599,477 1.139,478 8.286,479 0.251,480 7.597,481 0.23,482 0.188,484 0.351,487 0.665,488 1.407,489 0.744,490 1.21,491 0.617,492 1.037,493 0.713,494 1.047,495 0.782,496 0.943,497 0.45,498 0.882,499 0.94,500 1.003,501 0.838,502 0.93,503 0.696,504 0.86,505 1.117,506 1.091,507 0.956,508 1.118,509 1.167,510 1.018,511 1.381,512 1.174,513 1.021,514 1.083,515 1.416,516 0.989,517 0.889,518 1.148,519 0.926,520 1.15,521 0.909,522 1.067,523 1.05,524 1.047,525 1.105,526 1.069,527 0.9,528 1.09,529 1.178,530 0.968,531 1.209,532 1.036,533 1.243,534 1.124,535 5.5,536 0.121,537 3.556,538 3.035,539 2.543,540 2.107,541 1.469,542 0.883,543 0.491,544 0.216,545 11642,546 37732,547 1.976,548 44.1,549 1,550 10,551 1,552 2,553 1,554 2,555 9,558 1.768,559 1.817,560 3.124,561 -0.292,563 1,567 97.313,568 1.649,569 3.972,570 5.065,571 5.234,572 5.37,573 5.471,574 2.661,575 4.476,576 5.011,577 3.337,578 1761.9,579 8.868,580 25281.9,582 1,585 347.076,586 1.52,587 4.954,588 0.157,589 0.006,590 0.074,591 0.056,592 0.04,593 0.03,594 0.019,595 0.013,596 0.01,597 0.007,598 0.412,599 0.33,600 1,601 1.432,602 169.243,603 0.06,604 -0.161,605 0.05,606 -0.074,607 -0.034,608 -0.033,609 0.146,610 0.071,611 0.114,612 0.107,613 0.196,614 0.107,615 -0.112,616 0.078,617 0.072,618 0.113,619 -0.047,620 0.143,621 -0.062,622 0.012,623 -0.043,624 -0.072,625 -0.064,626 -0.056,627 -0.233,628 -0.138,629 -0.071,630 -0.052,631 -0.194,632 -0.027,633 0.174,634 -0.086,635 0.019,636 -0.14,637 0.069,638 -0.11,639 0.114,640 -0.062,641 -0.102,642 -0.107,643 0.212,644 -0.145,645 -0.133,646 -0.049,647 -0.189,648 -0.079,649 -0.164,650 -0.144,651 2.514,652 5.974,653 0.515,654 30.703,655 1.018,656 1.132,657 2.207,658 4.87,659 0.646,660 3.584,661 3.892,662 4.19,663 4.511,664 4.736,665 4.913,666 5.017,667 5.043,668 5.081,669 5.043,670 5.981,671 0.63,672 454.53,673 3.584,674 5.118,675 5.974,676 6.868,677 7.757,678 8.668,679 9.573,680 10.491,681 11.403,682 12.325,683 6.8,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 59,726 17,727 1,728 35,730 61,731 23,733 9,734 2,735 4,736 6,739 3,740 3,745 3,749 1,751 1,753 15,754 8,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 26,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 33,845 1,846 4,848 2,850 1,862 10.2,864 1,865 1,866 1,867 1,868 2,869 18.167,870 11.5,871 7.583,872 3.724,874 2.716,875 1.366,876 0.915,877 8.284,878 10.141,879 3.861,880 4.428,881 4.957,882 5.507,883 5.929,884 6.271,885 6.625,886 6.857,887 7.162,888 7.413,889 1,890 54,891 12.317,893 5.27,894 8.066,895 22.58,897 17.79,899 2.566,900 84.667,903 1,904 294.278,905 130.957,906 41.14,908 140.575,911 130.957,912 434.853,913 41.14,914 32.146,915 13.825,916 46.952,917 140.479,918 52.065,919 11.771,920 258.964,921 50.747,922 294.278,923 172.097,924 140.575,927 188.338,928 184.768,929 61.747,931 76.651,932 70.234,933 25.212,935 294.278,936 181.715,937 130.957,940 294.278,941 39.863,942 98.663,944 174.146,945 294.278,946 181.715,947 130.957,949 0.566,950 0.34,951 0.202,952 0.111,953 20,954 11,955 0.164,956 10,958 1,959 3.98,960 316.831,962 17,963 164.465,968 24.524,969 11.147,970 5.451,972 174.146,973 11.213,974 4.025,978 0.052,979 1.845,980 42.683,981 606.95,982 46.5,985 -0.514,987 36.646,990 4.595,991 0.073,994 60.091,995 66.817,996 0.28,997 0.675,998 0.861,999 0.89,1000 0.913,1001 0.93,1002 5.098,1003 1.648,1004 5.964,1005 4.868,1006 4.575,1007 5.115,1008 3.259,1009 6.823,1010 4.506,1011 6.312,1012 1.311,1013 7.551,1014 3.967,1015 4.205,1016 4.966,1017 2.525,1018 7.877,1019 4.139,1020 7.635,1021 1.207,1022 9.25,1023 2.913,1024 6.192,1025 7.288,1026 4.501,1027 11.051,1028 6.079,1029 8.998,1030 1.02,1031 11.015,1032 2.789,1033 6.686,1034 7.972,1035 4.553,1036 12.985,1037 6.583,1038 10.396,1039 1,1040 12.825,1041 2.304,1042 8.141,1043 9.752,1044 6.093,1045 15.703,1046 8.009,1047 11.817,1048 0.852,1049 14.666,1050 1.935,1051 9.023,1052 10.809,1053 6.568,1054 17.992,1055 8.899,1056 13.257,1057 0.618,1058 16.529,1059 1.47,1060 10.29,1061 12.376,1062 7.853,1063 20.571,1064 10.15,1065 3.391,1066 0.517,1067 18.41,1068 1.372,1069 11.347,1070 13.611,1071 8.551,1072 23.006,1073 11.211,1074 2.879,1075 12.709,1076 20.305,1077 1.118,1078 12.555,1079 15.089,1080 9.694,1081 25.547,1082 12.41,1083 2.723,1084 9.706,1085 22.21,1086 4.241,1087 13.69,1088 16.414,1089 10.51,1090 28.041,1091 13.546,1092 2.535,1093 9.33,1094 24.125,1095 3.957,1096 14.885,1097 17.856,1098 11.573,1099 30.575,1100 14.734,1101 2.181,1102 7.053,1103 26.048,1104 3.506,1105 16.058,1106 19.226,1107 12.452,1108 33.095,1109 15.904,1110 2.045,1111 6.586,1112 27.977,1113 3.468,1114 17.254,1115 20.654,1116 13.472,1117 35.63,1118 17.095,1119 1.82,1120 5.758,1121 29.912,1122 2.995,1123 18.446,1124 22.05,1125 14.386,1126 38.161,1127 18.282,1128 11744,1129 21301,1130 22.482,1131 38.125,1132 52.373,1133 53.545,1134 54.72,1135 51.42,1136 51.495,1137 67.128,1138 16.597,1139 147.756,1140 49.606,1141 5.644,1142 5.937,1143 6.969,1144 5.435,1145 5.391,1146 7.241,1147 4.612,1148 20.284,1149 5.361,1150 19.57,1151 1.496,1152 1.53,1153 1.563,1154 1.469,1155 1.471,1156 1.918,1157 0.474,1158 4.222,1159 1.417,1160 4.073,1161 4.099,1162 4.038,1163 3.973,1164 7.815,1165 3.981,1166 3.926,1167 3.985,1168 3.87,1169 3.745,1170 7.433,1171 3.764,1172 3.824,1173 3.854,1174 3.789,1175 3.658,1176 6.999,1177 3.682,1178 3.578,1179 3.609,1180 3.494,1181 3.363,1182 6.473,1183 3.384,1184 3.497,1185 3.562,1186 3.432,1187 3.279,1188 4.957,1189 3.275,1190 3.473,1191 3.499,1192 3.335,1193 3.212,1194 4.777,1195 3.195,1196 3.36,1197 3.429,1198 3.187,1199 3.073,1200 4.637,1201 3.133,1202 3.228,1203 3.286,1204 3.066,1205 3.03,1206 4.484,1207 3.06,1208 0.134,1209 0.112,1210 0.206,1211 0.125,1212 0.097,1213 4.696,1214 0.121,1215 3.937,1216 0.075,1217 7.2,1218 0.363,1219 4.383,1220 0.096,1221 3.391,1222 4.241,1223 2.612,1224 12.709,1225 3.361,1226 1.997,1227 1.977,1228 2.076,1229 2.123,1230 1.317,1231 2.099,1232 1.796,1233 1.765,1234 1.923,1235 1.975,1236 1.134,1237 1.95,1238 1.615,1239 1.559,1240 1.816,1241 1.839,1242 0.958,1243 1.824,1244 1.503,1245 1.452,1246 1.804,1247 1.763,1248 0.94,1249 1.77,1250 1.462,1251 1.39,1252 1.768,1253 1.707,1254 0.918,1255 1.729,1256 1.324,1257 1.264,1258 1.546,1259 1.646,1260 0.672,1261 1.551,1262 1.273,1263 1.211,1264 1.484,1265 1.528,1266 0.554,1267 1.527,1268 1.196,1269 1.165,1270 1.344,1271 1.488,1272 0.352,1273 1.497,1274 4.263,1276 5.572,1277 2.398,1278 7.084,1279 4.443,1280 8.707,1281 6.26,1282 10.399,1284 5.028,1289 10.891,1290 1.138,1292 10.667,1294 -0.993,1300 37.169,1301 97.313,1302 234.366,1303 298.811,1304 308.811,1305 316.811,1306 322.811,1307 103.466,1308 7.425,1309 131.76,1310 131.76,1311 17,1312 12.835,1313 4.17,1314 3.644,1315 63.152,1316 110,1317 133,1318 0.269,1319 231.095,1320 417.92,1321 555.631,1322 14295,1324 23.957,1325 0.726,1326 0.567,1327 23.957,1328 18.725,1329 15.883,1330 0.454,1331 0.303,1332 10.393,1333 14.964,1334 10.125,1335 8.409,1336 15.883,1337 10.593,1338 13.821,1339 0.288,1340 0.151,1341 13.821,1342 7.229,1343 11.213,1344 0.173,1345 0.08,1346 11.213,1347 5.198,1348 9.946,1349 0.111,1350 0.043,1351 9.946,1352 3.832,1353 7.383,1354 0.065,1355 0.023,1356 7.383,1357 2.591,1358 0.401,1359 101.691,1360 0.211,1361 29.615,1362 0.817,1363 166,1364 605.408,1365 189.49,1366 565.326,1367 749.91,1368 524,1369 196,1370 542.687,1371 218.142,1372 535.633,1373 781.22,1374 502,1375 5.638} {0 CHEMBL17516,1 1.576,2 6.875,3 0.945,4 0.894,5 60.034,6 7.899,7 0.611,8 3.433,9 3.552,10 3.065,11 2.989,12 4.566,13 2.988,14 3.94,15 4.1,16 3.412,17 3.388,18 5.054,19 3.361,20 4.158,21 4.359,22 3.323,23 3.461,24 5.204,25 3.39,26 4.094,27 4.313,28 3.155,29 3.354,30 5.131,31 3.258,32 3.978,33 4.234,34 2.938,35 3.143,36 4.959,37 3.03,38 3.671,39 3.92,40 2.64,41 2.795,42 4.648,43 2.703,44 3.437,45 3.707,46 2.37,47 2.522,48 4.405,49 2.405,50 3.133,51 3.429,52 1.915,53 2.071,54 4.215,55 1.963,56 0.023,57 0.428,58 4.878,59 2.171,60 4.076,61 2.768,62 0.137,63 0.685,64 9.17,65 3.691,66 12.424,67 4.862,68 0.176,69 0.77,70 13.038,71 4.843,72 24.187,73 6.342,74 0.144,75 0.702,76 12.592,77 4.798,78 21.757,79 6.458,80 0.153,81 0.604,82 12.135,83 4.364,84 20.131,85 6.125,86 0.127,87 0.445,88 8.893,89 2.865,90 17.499,91 3.989,92 0.148,93 0.357,94 7.129,95 2.228,96 11.904,97 3.304,98 0.08,99 0.23,100 5.731,101 1.657,102 11.485,103 2.416,104 2,105 25,106 0.306,107 0.691,108 0.817,109 0.88,110 0.895,111 0.895,112 2.854,113 0.873,114 -2.93,115 -2.93,116 -2.83,118 44.4,120 2,140 3,141 1,142 2,143 1,149 1,154 1,156 1,168 4,171 1,172 3,175 1,177 3,180 4,186 3,191 3,194 4,198 5,206 2,210 5,213 1,218 1,222 1,233 1,234 1,237 1,258 1,270 198,271 11.016,272 11.016,273 11.016,274 11.016,275 11.016,276 9.579,277 14.615,278 6.543,279 11.221,280 8.909,281 8.909,282 8.909,283 8.909,284 8.909,285 6.697,286 16.398,287 3.134,288 9.227,289 3.179,290 1.195,291 0.546,292 0.222,293 0.148,294 0.148,295 3.532,299 1,300 1,301 243,302 1.581,305 36.097,306 68.158,310 58.226,313 1.266,314 11.382,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 34.5,326 110,327 4.371,328 3.618,329 6.299,330 3.987,331 3.015,332 4.04,333 1.907,334 9.612,335 2.937,336 4.036,337 3.082,338 6.009,339 3.65,340 2.704,341 3.548,342 0.149,343 8.618,344 2.553,345 3.535,346 2.756,347 4.965,348 3.152,349 2.139,350 2.781,352 5.843,353 2.152,354 3.193,355 1.863,356 4.497,357 2.696,358 1.734,359 2.46,361 4.551,362 1.662,363 2.922,364 1.802,365 4.372,366 2.603,367 1.618,368 2.059,370 4.301,371 1.591,372 2.362,373 1.025,374 3.328,375 1.849,376 0.91,377 1.299,379 2.117,380 0.852,381 2.118,382 0.963,383 3.239,384 1.671,385 0.686,386 0.927,388 1.658,389 0.674,390 1.931,391 0.62,392 3,393 1.553,394 0.618,395 0.83,397 1.372,398 0.577,399 1.287,400 0.618,401 2.502,402 0.874,403 -0.141,404 -0.183,406 -0.335,407 -0.141,408 0.698,409 -0.258,410 2.331,411 0.368,412 -0.618,413 -0.729,415 -1.82,416 -0.608,417 0.612,418 -0.404,419 2.266,420 0.178,421 -0.829,422 -1.136,424 -2.173,425 -0.826,426 0.074,427 -0.939,428 1.876,429 -0.195,430 -1.214,431 -1.607,433 -3.075,434 -1.214,435 0.042,436 -1.14,437 1.379,438 -0.398,439 -1.352,440 -1.809,442 -3.514,443 -1.32,444 -0.118,445 -1.511,446 1.106,447 -0.697,448 -1.618,449 -2.165,451 -4.372,452 -1.477,453 -0.439,454 -1.618,455 1,456 -0.715,457 -1.679,458 -2.225,460 -4.586,461 -1.618,462 7.533,463 0.471,464 0.346,465 0.022,466 23,467 1.438,468 12,469 0.75,470 11,471 0.688,472 8.959,473 0.56,474 16.467,475 0.61,476 13.064,477 0.816,478 4.515,479 0.282,480 3.311,481 0.207,482 0.044,484 0.319,487 0.749,488 1.367,489 0.707,490 1.021,491 0.513,492 0.877,493 0.682,494 1.089,495 0.853,496 0.987,497 0.545,498 0.947,499 1.17,500 0.999,501 1.119,502 1.022,503 1.15,504 1.056,505 0.966,506 1.042,507 1.097,508 1.122,509 0.963,510 1.133,511 0.781,512 0.888,513 0.947,514 1.005,515 0.78,516 1.006,517 1.197,518 1.066,519 1.082,520 0.996,521 1.154,522 1.016,523 0.611,524 0.887,525 1.027,526 0.982,527 0.593,528 1.047,529 1.21,530 0.769,531 0.941,532 0.852,533 1.139,534 0.836,535 3,537 1.778,538 0.528,539 0.917,540 0.292,541 0.16,542 0.106,543 0.059,544 0.025,545 2077,546 5912,547 2.174,548 40.7,549 2,550 3,551 1,552 2,553 1,554 2,558 1.549,559 2.087,560 2.829,561 -0.229,565 1,567 42.554,568 1.576,569 3.56,570 4.208,571 4.533,572 4.607,573 4.607,574 2.311,575 3.156,576 3.973,577 2.903,578 348.332,579 6.68,580 2905.86,582 1,585 128.382,586 1.198,587 3.954,588 0.167,590 0.071,591 0.024,592 0.051,593 0.021,594 0.016,595 0.015,596 0.015,597 0.012,598 0.392,599 0.83,600 1,601 0.5,602 63.642,603 -0.06,604 -0.237,605 0.055,606 -0.065,607 -0.015,608 -0.001,609 0.102,610 0.003,611 -0.021,612 -0.042,613 0.045,614 -0.051,615 -0.21,616 -0.021,617 -0.195,618 -0.053,619 -0.162,620 -0.108,621 -0.116,622 -0.11,623 -0.152,624 -0.135,625 -0.08,626 -0.147,627 0.044,628 0.004,629 0.063,630 -0.015,631 0.034,632 0.02,633 -0.158,634 -0.146,635 -0.055,636 -0.049,637 -0.124,638 -0.039,639 0.268,640 0.067,641 0.012,642 -0.059,643 0.051,644 -0.067,645 -0.05,646 0.076,647 0.204,648 0.096,649 0.113,650 0.193,651 1.567,652 4.213,653 0.938,654 9.172,655 1.006,656 1.125,657 1.697,658 2.878,659 0.686,660 2.944,661 3.258,662 3.526,663 3.784,664 3.97,665 4.007,666 4.094,667 4.174,668 4.159,669 3.85,670 4.158,671 0.662,672 213.26,673 2.944,674 4.466,675 5.313,676 6.184,677 7.048,678 7.923,679 8.793,680 9.668,681 10.541,682 11.417,683 11.1,690 1,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 27,726 12,727 1,728 18,730 29,731 12,733 9,734 3,735 3,739 3,740 4,748 2,751 2,753 10,754 2,756 1,761 1,765 1,769 1,772 11,773 3,774 1,775 4,778 1,779 3,784 0.667,785 1,801 1,802 2,806 1,816 1,832 2,840 16,846 2,847 1,862 3.7,865 1,869 7.667,870 4.817,871 3.472,872 1.601,874 2.115,875 1.336,876 1.033,877 2.169,878 8.414,879 3.239,880 3.823,881 4.377,882 4.948,883 5.373,884 5.682,885 6.053,886 6.385,887 6.586,888 6.527,889 0.8,890 22,891 5.883,893 2.519,894 7.76,895 11.269,897 9.359,899 2.26,900 36.167,901 0.003,904 117.711,905 73.615,906 36.695,908 25.145,911 73.615,912 142.856,913 36.695,915 23.08,916 37.476,917 78.796,918 19.646,919 11.771,920 82.398,922 117.711,923 110.31,924 25.145,927 117.711,928 25.145,931 42.645,932 50.88,933 16.786,935 117.711,936 61.84,937 73.615,940 117.711,941 18.473,942 57.041,943 18.011,944 41.93,945 117.711,946 61.84,947 73.615,949 0.58,950 0.337,951 0.184,952 0.096,953 14,954 5,955 0.034,956 1,957 1,958 1.133,959 2.93,960 111.778,961 0.133,962 15,963 64,968 9.459,969 3.669,970 1.723,972 59.941,973 11.442,974 4.016,978 3.193,979 1.955,980 18.011,981 253.166,982 24.5,987 11.213,991 0.1,994 27.167,995 30.365,996 0.331,997 0.749,998 0.885,999 0.953,1000 0.969,1001 0.969,1002 4.451,1003 0.618,1004 5.283,1005 1.658,1006 3.932,1007 4.505,1008 1.953,1009 6.066,1010 3.869,1011 5.646,1012 -0.141,1013 6.819,1014 1.372,1015 3.434,1016 4.205,1017 1.593,1018 6.88,1019 3.355,1020 6.941,1021 -0.618,1022 8.453,1023 -0.335,1024 5.493,1025 6.654,1026 2.904,1027 9.964,1028 5.365,1029 8.271,1030 -0.829,1031 10.145,1032 -1.82,1033 5.832,1034 7.202,1035 3.032,1036 11.606,1037 5.673,1038 9.632,1039 -1.214,1040 11.875,1041 -2.173,1042 7.327,1043 9.069,1044 4.037,1045 14.173,1046 7.133,1047 11.014,1048 -1.352,1049 13.629,1050 -3.075,1051 8.055,1052 10.017,1053 4.409,1054 16.152,1055 7.827,1056 12.412,1057 -1.618,1058 15.402,1059 -3.514,1060 9.316,1061 11.634,1062 5.25,1063 18.528,1064 9.058,1065 3.015,1066 -1.679,1067 17.187,1068 -4.372,1069 10.232,1070 12.787,1071 5.75,1072 20.653,1073 9.94,1074 2.704,1075 9.612,1076 18.981,1077 -4.586,1078 11.391,1079 14.286,1080 6.501,1081 22.952,1082 11.074,1083 2.139,1084 8.618,1085 20.782,1086 4.04,1087 12.396,1088 15.546,1089 7.068,1090 25.142,1091 12.048,1092 1.734,1093 5.843,1094 22.589,1095 3.548,1096 13.513,1097 16.988,1098 7.771,1099 27.409,1100 13.14,1101 1.618,1102 4.551,1103 24.4,1104 2.781,1105 14.561,1106 18.305,1107 8.374,1108 29.629,1109 14.161,1110 0.91,1111 4.301,1112 26.215,1113 2.46,1114 15.661,1115 19.719,1116 9.051,1117 31.884,1118 15.237,1119 0.686,1120 2.117,1121 28.032,1122 2.059,1123 16.731,1124 21.068,1125 9.674,1126 34.12,1127 16.281,1128 2005,1129 3450,1130 12.425,1131 18.517,1132 27.156,1133 27.734,1134 26.974,1135 26.769,1136 26.848,1137 35.887,1138 4.112,1139 76.142,1140 25.997,1141 5.315,1142 5.618,1143 5.895,1144 5.033,1145 5.015,1146 7.04,1147 3.306,1148 16.111,1149 4.937,1150 4.676,1151 1.509,1152 1.541,1153 1.499,1154 1.487,1155 1.492,1156 1.994,1157 0.228,1158 4.23,1159 1.444,1160 4.05,1161 4.092,1162 4.003,1163 3.942,1164 7.429,1165 3.95,1166 3.806,1167 3.862,1168 3.746,1169 3.616,1170 4.989,1171 3.642,1172 3.46,1173 3.5,1174 3.374,1175 3.315,1176 4.662,1177 3.319,1178 3.068,1179 3.137,1180 2.932,1181 2.864,1182 3.971,1183 2.876,1184 2.761,1185 2.809,1186 2.689,1187 2.614,1188 3.77,1189 2.623,1190 2.652,1191 2.742,1192 2.448,1193 2.426,1194 3.398,1195 2.426,1196 2.475,1197 2.572,1198 2.267,1199 2.287,1200 3.332,1201 2.271,1202 2.189,1203 2.316,1204 2.029,1205 1.844,1206 3.273,1207 1.868,1208 0.243,1209 0.201,1210 0.35,1211 0.222,1212 0.167,1213 4.371,1214 0.224,1215 3.618,1216 0.106,1217 6.299,1218 0.534,1219 3.987,1220 0.163,1221 3.015,1222 4.04,1223 1.907,1224 9.612,1225 2.937,1226 1.971,1227 1.942,1228 2.072,1229 2.084,1230 1.289,1231 2.081,1232 1.561,1233 1.511,1234 1.736,1235 1.772,1236 0.927,1237 1.757,1238 1.335,1239 1.279,1240 1.525,1241 1.53,1242 0.579,1243 1.529,1244 1.229,1245 1.158,1246 1.396,1247 1.464,1248 0.343,1249 1.458,1250 0.995,1251 0.942,1252 1.217,1253 1.27,1254 0.299,1255 1.258,1256 0.665,1257 0.584,1258 0.987,1259 0.918,1260 0.047,1261 0.955,1262 0.591,1263 0.532,1264 0.913,1265 0.818,1266 0.014,1267 0.846,1268 0.018,1270 0.55,1271 0.411,1273 0.461,1274 3.611,1276 4.92,1277 2.398,1278 6.428,1279 4.443,1280 8.03,1281 6.293,1282 9.683,1290 1.379,1291 2.869,1300 17.886,1301 42.554,1302 96.117,1303 113.627,1304 122.382,1305 124.382,1306 124.382,1307 17.243,1308 6.299,1309 46.92,1310 46.92,1311 17,1312 11.956,1313 3.7,1314 2.907,1315 21.845,1316 42,1317 34,1318 0.283,1319 110.513,1320 183.23,1321 261.412,1322 3701,1324 10.958,1325 0.685,1326 0.543,1327 10.958,1328 8.681,1329 7.826,1330 0.435,1331 0.291,1332 5.166,1333 7.521,1334 5.079,1335 4.188,1336 7.826,1337 5.239,1338 7.056,1339 0.282,1340 0.154,1341 7.056,1342 3.86,1343 5.982,1344 0.181,1345 0.084,1346 5.982,1347 2.787,1348 5.017,1349 0.117,1350 0.045,1351 5.017,1352 1.942,1353 3.877,1354 0.075,1355 0.025,1356 3.877,1357 1.302,1358 0.425,1359 49.02,1360 0.284,1361 16.01,1362 0.825,1363 86,1364 249.359,1365 94.126,1366 243.377,1367 334.65,1368 228,1369 101,1370 249.524,1371 109.017,1372 252.574,1373 365.68,1374 238,1375 5.699} {0 CHEMBL175538,1 1.481,2 15.297,3 6.901,4 47.629,5 141.857,6 7.525,7 0.537,8 4.279,9 4.383,10 3.855,11 3.873,12 5.397,13 3.847,14 4.823,15 4.978,16 4.202,17 4.273,18 5.948,19 4.221,20 5.109,21 5.313,22 4.245,23 4.414,24 6.098,25 4.33,26 5.14,27 5.354,28 4.239,29 4.428,30 6.087,31 4.337,32 5.158,33 5.356,34 4.276,35 4.469,36 6.163,37 4.37,38 5.262,39 5.488,40 4.283,41 4.5,42 6.25,43 4.393,44 5.259,45 5.493,46 4.194,47 4.408,48 6.324,49 4.303,50 5.13,51 5.369,52 4.101,53 4.214,54 6.247,55 4.133,56 0.024,57 0.93,58 12.799,59 6.392,60 12.208,61 7.874,62 0.218,63 1.568,64 24.485,65 10.841,66 49.161,67 13.835,68 0.352,69 2.026,70 36.057,71 14.575,72 68.312,73 18.755,74 0.33,75 2.077,76 37.266,77 14.791,78 52.853,79 19.49,80 0.477,81 2.098,82 37.279,83 15.719,84 55.658,85 20.542,86 0.32,87 2.295,88 43.225,89 17.851,90 72.429,91 23.366,92 0.481,93 2.309,94 44.942,95 17.419,96 101.468,97 22.125,98 0.516,99 1.982,100 40.58,101 14.902,102 90.966,103 18.758,104 12,105 56,106 0.232,107 0.598,108 0.803,109 0.908,110 0.908,111 0.908,112 3.642,113 0.93,114 -5.62,115 -5.49,116 -5.12,118 47,120 6,121 1,124 2,139 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 18,169 1,172 11,175 1,177 1,180 18,181 1,186 13,191 1,194 16,195 1,198 6,199 1,203 1,206 17,207 2,209 2,210 5,213 1,215 2,218 26,219 2,222 4,227 2,229 24,230 3,234 9,239 3,242 16,243 3,246 1,247 10,252 3,255 11,256 1,259 3,260 1,264 1,267 10,268 1,270 2953,271 25.413,272 25.413,273 25.413,274 25.413,275 25.413,276 22.254,277 25.368,278 15.49,279 25.768,280 20.352,281 20.352,282 20.352,283 20.352,284 20.352,285 15.56,286 25.969,287 7.477,288 20.954,289 4.564,290 2.225,291 0.91,292 0.242,293 0.242,294 0.242,295 4.352,300 1,301 1241,302 4,305 71.324,306 424.422,309 264.934,313 2.365,314 38.7,317 0.75,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.84,325 79.5,326 566,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.117,337 3.51,338 6.102,339 3.673,340 2.7,341 3.676,342 0.86,343 8.765,344 2.63,345 4.075,346 2.981,347 5.785,348 3.639,349 2.651,350 3.599,351 0.522,352 8.001,353 2.615,354 3.93,355 2.945,356 5.537,357 3.512,358 2.522,359 3.37,361 7.23,362 2.498,363 3.621,364 2.91,365 5.34,366 3.249,367 2.306,368 2.928,370 6.965,371 2.171,372 3.53,373 2.633,374 5.147,375 3.182,376 2.207,377 2.787,379 6.184,380 2.132,381 3.499,382 2.497,383 4.966,384 2.968,385 2.01,386 2.606,388 5.833,389 1.903,390 3.355,391 2.352,392 4.852,393 2.903,394 1.927,395 2.514,397 5.273,398 1.865,399 3.271,400 2.204,401 4.37,402 2.724,403 1.738,404 2.495,406 4.097,407 1.713,408 2.805,409 1.694,410 3.892,411 2.468,412 1.496,413 1.854,415 3.571,416 1.448,417 2.75,418 1.614,419 3.817,420 2.436,421 1.465,422 1.792,424 3.097,425 1.418,426 2.671,427 1.515,428 3.699,429 2.257,430 1.266,431 1.711,433 3.042,434 1.251,435 2.5,436 1.378,437 3.596,438 2.198,439 1.207,440 1.5,442 2.705,443 1.194,444 2.497,445 1.207,446 3.485,447 1.969,448 1,449 1.47,451 2.335,452 0.963,453 2.48,454 1.009,455 3.247,456 1.953,457 1,458 1.328,460 2.14,461 0.95,462 17.586,463 0.475,464 0.763,465 0.021,466 47,467 1.27,468 24,469 0.649,470 23,471 0.622,472 34.911,473 0.944,474 38.814,475 0.588,476 37.105,477 1.003,478 9.096,479 0.246,480 8.984,481 0.243,482 0.054,484 0.307,486 1,487 0.69,488 1.047,489 0.761,490 1.004,491 0.602,492 0.917,493 0.705,494 1.05,495 0.888,496 1.037,497 0.469,498 1,499 0.999,500 1.011,501 1.007,502 0.981,503 0.881,504 0.993,505 0.87,506 0.946,507 1.004,508 0.99,509 0.678,510 1.007,511 0.732,512 0.949,513 1.025,514 1.094,515 0.806,516 1.116,517 0.854,518 0.997,519 0.959,520 1.066,521 0.971,522 1.039,523 1.239,524 1.053,525 1.078,526 1.049,527 1.317,528 1.038,529 1.391,530 0.99,531 0.987,532 0.95,533 1.272,534 0.908,535 6,536 0.173,537 2.667,538 2.674,539 1.64,540 1.344,541 0.786,542 0.58,543 0.438,544 0.242,545 23579,546 63509,547 2.133,548 43.9,549 8,550 13,552 2,553 1,554 3,555 2,558 1.779,559 2.037,560 3.788,561 -0.445,567 97.714,568 1.481,569 3.82,570 5.135,571 5.802,572 5.802,573 5.802,574 3.212,575 4.831,576 5.172,577 4.059,578 2703.27,579 9.095,580 45904.9,585 398.93,586 1.241,587 5.159,588 0.146,589 0.005,590 0.048,591 0.047,592 0.029,593 0.024,594 0.014,595 0.012,596 0.01,597 0.007,598 0.341,599 0.17,600 0.63,601 0.716,602 206.603,603 -0.028,604 -0.054,605 0.041,606 0.006,607 -0.019,608 0.028,609 0.046,610 -0.074,611 -0.016,612 -0.05,613 0.132,614 -0.045,615 -0.1,616 -0.039,617 -0.056,618 0.002,619 -0.086,620 -0.017,621 -0.076,622 -0.001,623 -0.059,624 -0.02,625 -0.029,626 -0.029,627 0.081,628 -0.029,629 -0.093,630 -0.103,631 -0.022,632 -0.13,633 -0.014,634 -0.061,635 0.011,636 -0.066,637 -0.054,638 -0.03,639 -0.094,640 -0.034,641 -0.051,642 -0.056,643 -0.109,644 -0.045,645 -0.056,646 0.019,647 0.082,648 0.03,649 -0.026,650 0.074,651 2.471,652 6.154,653 0.676,654 51.17,655 1.001,656 1.118,657 4.386,658 19.235,659 0.681,660 3.738,661 4.043,662 4.317,663 4.654,664 4.942,665 5.075,666 5.263,667 5.442,668 5.501,669 5.565,670 8.913,671 0.651,672 496.62,673 3.738,674 5.273,675 6.12,676 7.004,677 7.881,678 8.782,679 9.677,680 10.59,681 11.498,682 12.418,683 3,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 66,726 24,727 2,728 41,730 70,731 31,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 6,752 2,753 20,754 9,755 1,756 1,761 1,765 1,770 1,772 29,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,809 2,818 1,830 1,832 3,838 1,840 37,845 1,846 8,848 1,850 1,853 1,860 2,861 1,862 4.5,864 1,865 1,867 1,869 18.167,870 11.826,871 8.167,872 4.204,874 5.083,875 1.588,876 0.988,877 7.874,878 13.73,879 4.025,880 4.618,881 5.209,882 5.845,883 6.413,884 6.734,885 7.175,886 7.596,887 7.839,888 8.122,889 0.9,890 57,891 13.755,893 5.921,894 7.793,895 26.371,897 22.055,899 2.293,900 84.833,904 329.591,905 191.652,906 18.685,908 78.828,909 14.96,911 191.652,912 408.419,913 33.645,915 21.905,916 85.286,917 109.066,918 57.488,919 53.922,920 306.049,922 329.591,923 210.337,924 93.788,927 321.009,928 102.37,931 41.899,932 117.591,933 50.847,935 344.551,936 97.513,937 191.652,940 329.591,941 54.21,942 105.28,943 34.061,944 110.574,945 329.591,946 112.473,947 191.652,949 0.569,950 0.319,951 0.187,952 0.111,953 26,954 11,955 0.114,956 8,957 2,958 1.16,959 4.842,960 355.967,961 0.16,962 25,963 192.75,968 25.057,969 11.628,970 6.037,971 1.84,972 110.574,973 20.155,974 4.063,978 4.603,979 2.185,980 42.683,981 633.716,982 55,987 11.602,991 -0.804,994 66.069,995 73.777,996 0.245,997 0.632,998 0.849,999 0.96,1000 0.96,1001 0.96,1002 5.26,1003 1.927,1004 6.084,1005 5.833,1006 4.727,1007 5.306,1008 2.45,1009 6.891,1010 4.672,1011 6.467,1012 1.738,1013 7.626,1014 5.273,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.773,1021 1.496,1022 9.274,1023 4.097,1024 6.293,1025 7.516,1026 3.661,1027 10.966,1028 6.187,1029 9.116,1030 1.465,1031 10.991,1032 3.571,1033 6.635,1034 8.136,1035 4.112,1036 12.826,1037 6.489,1038 10.494,1039 1.266,1040 12.757,1041 3.097,1042 8.173,1043 10.069,1044 5.206,1045 15.541,1046 8.016,1047 11.9,1048 1.207,1049 14.559,1050 3.042,1051 8.96,1052 11.154,1053 5.889,1054 17.817,1055 8.765,1056 13.329,1057 1,1058 16.39,1059 2.705,1060 10.275,1061 12.852,1062 6.849,1063 20.396,1064 10.062,1065 3.405,1066 1,1067 18.245,1068 2.335,1069 11.29,1070 14.182,1071 7.625,1072 22.834,1073 11.041,1074 2.7,1075 12.577,1076 20.12,1077 2.14,1078 12.524,1079 15.783,1080 8.526,1081 25.376,1082 12.252,1083 2.651,1084 8.765,1085 22.011,1086 4.744,1087 13.648,1088 17.233,1089 9.342,1090 27.874,1091 13.342,1092 2.522,1093 8.001,1094 23.915,1095 3.676,1096 14.86,1097 18.798,1098 10.216,1099 30.407,1100 14.527,1101 2.306,1102 7.23,1103 25.83,1104 3.599,1105 16.036,1106 20.305,1107 11.051,1108 32.926,1109 15.67,1110 2.207,1111 6.965,1112 27.755,1113 3.37,1114 17.246,1115 21.859,1116 11.912,1117 35.457,1118 16.851,1119 2.01,1120 6.184,1121 29.688,1122 2.928,1123 18.445,1124 23.392,1125 12.755,1126 37.984,1127 18.02,1128 22065,1129 36356,1130 28.027,1131 44.972,1132 61.899,1133 62.247,1134 61.508,1135 60.474,1136 60.387,1137 79.975,1138 7.445,1139 169.612,1140 58.621,1141 5.744,1142 5.655,1143 6.983,1144 5.433,1145 5.405,1146 7.744,1147 3.925,1148 20.111,1149 5.308,1150 14.735,1151 1.51,1152 1.518,1153 1.5,1154 1.475,1155 1.473,1156 1.951,1157 0.182,1158 4.137,1159 1.43,1160 4.195,1161 4.226,1162 4.16,1163 4.111,1164 8.201,1165 4.119,1166 3.912,1167 3.939,1168 3.852,1169 3.838,1170 7.474,1171 3.837,1172 3.874,1173 3.905,1174 3.819,1175 3.799,1176 6.351,1177 3.799,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.977,1183 3.629,1184 3.617,1185 3.673,1186 3.484,1187 3.49,1188 4.889,1189 3.481,1190 3.467,1191 3.492,1192 3.385,1193 3.263,1194 4.796,1195 3.278,1196 3.369,1197 3.43,1198 3.264,1199 3.194,1200 4.581,1201 3.203,1202 3.201,1203 3.239,1204 3.106,1205 3.068,1206 4.322,1207 3.068,1208 0.117,1209 0.089,1210 0.175,1211 0.107,1212 0.083,1213 4.794,1214 0.116,1215 3.655,1216 0.057,1217 7.157,1218 0.307,1219 4.376,1220 0.081,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.067,1230 1.45,1231 2.064,1232 1.934,1233 1.904,1234 2.049,1235 2.028,1236 1.23,1237 2.042,1238 1.86,1239 1.828,1240 1.974,1241 1.97,1242 1.183,1243 1.973,1244 1.826,1245 1.794,1246 1.947,1247 1.94,1248 1.088,1249 1.943,1250 1.621,1251 1.567,1252 1.851,1253 1.786,1254 0.936,1255 1.812,1256 1.4,1257 1.365,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.332,1263 1.271,1264 1.532,1265 1.539,1266 0.747,1267 1.542,1268 1.178,1269 1.137,1270 1.39,1271 1.349,1272 0.54,1273 1.362,1274 4.419,1276 5.727,1277 2.398,1278 7.229,1279 4.949,1280 8.831,1281 7.248,1282 10.493,1286 14.154,1289 9.525,1290 5.34,1292 5.991,1294 -0.08,1299 6.259,1300 42.946,1301 97.714,1302 252.105,1303 338.891,1304 382.93,1305 382.93,1306 382.93,1307 74.191,1308 8.647,1309 64.35,1310 64.35,1311 29,1312 12.93,1313 4.644,1314 3.907,1315 57.039,1316 193,1317 241,1318 0.139,1319 259.885,1320 459.58,1321 625.88,1322 87064,1323 1.5,1324 25.614,1325 0.692,1326 0.557,1327 24.744,1328 20.621,1329 18.081,1330 0.441,1331 0.31,1332 12.581,1333 17.515,1334 12.34,1335 10.16,1336 17.687,1337 12.712,1338 16.101,1339 0.288,1340 0.169,1341 15.468,1342 9.441,1343 12.933,1344 0.175,1345 0.092,1346 12.591,1347 6.81,1348 11.446,1349 0.11,1350 0.051,1351 11.225,1352 5.255,1353 9.78,1354 0.07,1355 0.028,1356 9.499,1357 3.91,1358 0.225,1359 112.45,1360 0.189,1361 34.296,1362 0.365,1363 194,1364 589.022,1365 209.937,1366 546.545,1367 738.52,1368 512,1369 227,1370 532.088,1371 241.219,1372 534.402,1373 778.19,1374 505,1375 7.301} {0 CHEMBL175801,1 1.466,2 16.132,3 7.358,4 54.134,5 146.458,6 7.401,7 0.524,8 4.318,9 4.425,10 3.879,11 3.909,12 5.42,13 3.879,14 4.868,15 5.027,16 4.222,17 4.31,18 5.972,19 4.252,20 5.158,21 5.369,22 4.265,23 4.45,24 6.126,25 4.361,26 5.187,27 5.408,28 4.258,29 4.464,30 6.11,31 4.367,32 5.208,33 5.412,34 4.296,35 4.5,36 6.201,37 4.398,38 5.286,39 5.512,40 4.301,41 4.528,42 6.268,43 4.418,44 5.292,45 5.526,46 4.212,47 4.454,48 6.333,49 4.341,50 5.195,51 5.441,52 4.127,53 4.283,54 6.274,55 4.187,56 0.022,57 0.972,58 13.747,59 6.758,60 11.683,61 8.437,62 0.217,63 1.638,64 26.21,65 11.479,66 49.5,67 14.842,68 0.351,69 2.115,70 38.452,71 15.414,72 68.227,73 20.136,74 0.331,75 2.164,76 39.648,77 15.627,78 51.632,79 20.865,80 0.52,81 2.182,82 40.111,83 16.525,84 58.857,85 21.716,86 0.304,87 2.35,88 44.376,89 18.314,90 70.302,91 24.086,92 0.462,93 2.384,94 46.285,95 18.065,96 96.954,97 23.185,98 0.421,99 2.112,100 43.089,101 16.07,102 87.993,103 20.672,104 12,105 57,106 0.228,107 0.585,108 0.794,109 0.908,110 0.908,111 0.908,112 3.668,113 0.944,114 -5.8,115 -5.66,116 -5.28,118 46.4,120 7,121 1,124 2,139 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 19,169 1,172 11,175 1,177 1,180 19,181 1,186 13,191 1,194 17,195 1,198 6,199 1,203 1,206 18,207 2,209 2,210 5,213 1,215 2,218 27,219 2,222 4,227 2,229 25,230 3,234 10,239 3,242 17,243 3,247 10,252 3,255 11,256 1,258 1,259 4,260 1,264 1,267 10,268 1,270 3218,271 26.12,272 26.12,273 26.12,274 26.12,275 26.12,276 22.961,277 25.368,278 15.99,279 26.475,280 20.852,281 20.852,282 20.852,283 20.852,284 20.852,285 16.06,286 25.083,287 7.727,288 21.454,289 4.643,290 2.338,291 0.993,292 0.261,293 0.261,294 0.261,295 4.377,301 1343,302 4.123,305 74.91,306 445.378,309 277.509,313 2.486,314 39.004,317 0.5,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.7,325 81.5,326 613,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.117,337 3.51,338 6.102,339 3.673,340 2.7,341 3.676,342 0.86,343 8.765,344 2.63,345 4.075,346 2.978,347 5.785,348 3.639,349 2.651,350 3.599,351 0.522,352 8.001,353 2.615,354 3.93,355 2.947,356 5.537,357 3.512,358 2.522,359 3.37,361 7.23,362 2.498,363 3.621,364 2.91,365 5.34,366 3.249,367 2.306,368 2.928,370 6.965,371 2.171,372 3.53,373 2.631,374 5.147,375 3.182,376 2.207,377 2.787,379 6.184,380 2.132,381 3.5,382 2.496,383 4.966,384 2.969,385 2.011,386 2.606,388 5.833,389 1.905,390 3.355,391 2.359,392 4.852,393 2.906,394 1.928,395 2.512,397 5.273,398 1.869,399 3.272,400 2.211,401 4.37,402 2.78,403 1.79,404 2.499,406 4.097,407 1.771,408 2.817,409 1.737,410 3.892,411 2.494,412 1.527,413 1.87,415 3.662,416 1.474,417 2.754,418 1.623,419 3.852,420 2.456,421 1.479,422 1.802,424 3.169,425 1.439,426 2.683,427 1.57,428 3.702,429 2.269,430 1.287,431 1.713,433 3.042,434 1.261,435 2.608,436 1.383,437 3.629,438 2.216,439 1.228,440 1.5,442 2.751,443 1.21,444 2.5,445 1.245,446 3.493,447 2.128,448 1.142,449 1.497,451 2.457,452 1.123,453 2.48,454 1.009,455 3.336,456 1.956,457 1,458 1.47,460 2.335,461 0.953,462 18.086,463 0.476,464 0.763,465 0.02,466 47.5,467 1.25,468 24,469 0.632,470 23.5,471 0.618,472 36.831,473 0.969,474 40.114,475 0.581,476 37.396,477 0.984,478 9.096,479 0.239,480 9.484,481 0.25,482 0.053,484 0.299,486 1,487 0.69,488 1.059,489 0.777,490 1.018,491 0.6,492 0.934,493 0.701,494 1.062,495 0.901,496 1.052,497 0.466,498 1.016,499 0.985,500 1.006,501 0.995,502 0.977,503 0.867,504 0.987,505 0.86,506 0.945,507 0.993,508 0.986,509 0.676,510 0.999,511 0.803,512 0.931,513 1.029,514 1.063,515 0.823,516 1.088,517 0.866,518 1.016,519 0.97,520 1.081,521 0.985,522 1.052,523 1.216,524 1.068,525 1.092,526 1.066,527 1.317,528 1.06,529 1.292,530 1.04,531 0.978,532 1.008,533 1.216,534 0.952,535 6,536 0.173,537 2.667,538 2.674,539 1.64,540 1.344,541 0.786,542 0.611,543 0.389,544 0.262,545 26010,546 68622,547 2.129,548 44.9,549 10,550 13,552 2,553 1,554 3,555 2,558 1.784,559 2.036,560 3.855,561 -0.453,567 101.153,568 1.466,569 3.771,570 5.115,571 5.848,572 5.848,573 5.848,574 3.303,575 4.754,576 5.211,577 4.135,578 2907.01,579 9.165,580 51138.3,585 421.488,586 1.226,587 5.198,588 0.143,589 0.005,590 0.047,591 0.046,592 0.029,593 0.023,594 0.014,595 0.012,596 0.008,597 0.007,598 0.334,599 0.17,600 0.63,601 0.703,602 214.98,603 -0.025,604 -0.052,605 0.042,606 0.006,607 -0.014,608 0.028,609 0.05,610 -0.079,611 -0.017,612 -0.056,613 0.136,614 -0.049,615 -0.09,616 -0.035,617 -0.039,618 0.009,619 -0.076,620 -0.005,621 -0.067,622 0.001,623 -0.043,624 -0.013,625 -0.029,626 -0.018,627 0.066,628 -0.01,629 -0.083,630 -0.071,631 -0.03,632 -0.103,633 -0.016,634 -0.07,635 -0.005,636 -0.079,637 -0.057,638 -0.046,639 -0.093,640 -0.043,641 -0.077,642 -0.072,643 -0.11,644 -0.07,645 -0.053,646 -0.039,647 0.071,648 -0.027,649 -0.014,650 0.034,651 2.468,652 6.167,653 0.658,654 55.407,655 0.999,656 1.119,657 4.572,658 20.907,659 0.677,660 3.761,661 4.06,662 4.331,663 4.663,664 4.949,665 5.081,666 5.268,667 5.447,668 5.501,669 5.565,670 9.377,671 0.645,672 510.65,673 3.761,674 5.293,675 6.138,676 7.018,677 7.893,678 8.792,679 9.685,680 10.596,681 11.503,682 12.423,683 2.9,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 69,726 24,727 2,728 42,730 73,731 32,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 7,752 2,753 20,754 10,755 1,756 1,761 1,765 1,770 1,772 31,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,809 2,818 1,830 1,832 3,838 1,840 38,845 1,846 9,848 1,850 1,853 1,860 2,861 1,862 4.3,864 1,865 1,867 1,869 18.667,870 12.326,871 8.417,872 4.454,874 5.051,875 1.582,876 0.984,877 8.413,878 13.737,879 4.043,880 4.627,881 5.214,882 5.848,883 6.415,884 6.735,885 7.172,886 7.593,887 7.828,888 8.107,889 1,890 58,891 14.134,893 6.064,894 7.772,895 27.188,897 22.722,899 2.272,900 86.333,904 353.133,905 194.187,906 18.685,908 78.828,909 14.96,911 194.187,912 431.961,913 33.645,915 24.44,916 85.286,917 109.066,918 57.488,919 53.922,920 329.591,922 353.133,923 212.872,924 93.788,927 344.551,928 102.37,931 44.434,932 117.591,933 50.847,935 368.093,936 97.513,937 194.187,940 353.133,941 56.745,942 105.28,943 34.061,944 110.574,945 353.133,946 112.473,947 194.187,949 0.567,950 0.318,951 0.185,952 0.11,953 26,954 11,955 0.123,956 9,957 2,958 1.16,959 4.957,960 365.068,961 0.16,962 25,963 197.421,968 26.015,969 12.289,970 6.461,971 1.849,972 110.574,973 20.263,974 4.069,978 4.665,979 2.191,980 42.683,981 659.793,982 56,987 11.614,991 -0.802,994 68.952,995 77.193,996 0.24,997 0.617,998 0.837,999 0.957,1000 0.957,1001 0.957,1002 5.276,1003 1.928,1004 6.098,1005 5.833,1006 4.745,1007 5.316,1008 2.45,1009 6.899,1010 4.69,1011 6.477,1012 1.79,1013 7.636,1014 5.273,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.781,1021 1.527,1022 9.281,1023 4.097,1024 6.304,1025 7.52,1026 3.661,1027 10.968,1028 6.2,1029 9.121,1030 1.479,1031 10.995,1032 3.662,1033 6.635,1034 8.136,1035 4.112,1036 12.826,1037 6.489,1038 10.498,1039 1.287,1040 12.759,1041 3.169,1042 8.179,1043 10.07,1044 5.206,1045 15.542,1046 8.023,1047 11.903,1048 1.228,1049 14.561,1050 3.042,1051 8.96,1052 11.154,1053 5.889,1054 17.817,1055 8.765,1056 13.331,1057 1.142,1058 16.391,1059 2.751,1060 10.277,1061 12.853,1062 6.849,1063 20.396,1064 10.065,1065 3.405,1066 1,1067 18.246,1068 2.457,1069 11.29,1070 14.182,1071 7.625,1072 22.834,1073 11.041,1074 2.7,1075 12.577,1076 20.12,1077 2.335,1078 12.524,1079 15.783,1080 8.526,1081 25.376,1082 12.253,1083 2.651,1084 8.765,1085 22.011,1086 4.744,1087 13.648,1088 17.233,1089 9.342,1090 27.874,1091 13.342,1092 2.522,1093 8.001,1094 23.915,1095 3.676,1096 14.86,1097 18.798,1098 10.216,1099 30.407,1100 14.527,1101 2.306,1102 7.23,1103 25.83,1104 3.599,1105 16.036,1106 20.305,1107 11.051,1108 32.926,1109 15.67,1110 2.207,1111 6.965,1112 27.755,1113 3.37,1114 17.246,1115 21.859,1116 11.912,1117 35.457,1118 16.851,1119 2.011,1120 6.184,1121 29.688,1122 2.928,1123 18.445,1124 23.392,1125 12.755,1126 37.984,1127 18.02,1128 24347,1129 39703,1130 28.72,1131 46.733,1132 63.062,1133 63.622,1134 62.86,1135 61.622,1136 61.511,1137 81.072,1138 7.445,1139 171.822,1140 59.752,1141 5.744,1142 5.655,1143 7.02,1144 5.433,1145 5.405,1146 7.744,1147 3.925,1148 20.111,1149 5.308,1150 15.048,1151 1.501,1152 1.515,1153 1.497,1154 1.467,1155 1.465,1156 1.93,1157 0.177,1158 4.091,1159 1.423,1160 4.195,1161 4.226,1162 4.161,1163 4.111,1164 8.201,1165 4.119,1166 3.912,1167 3.94,1168 3.851,1169 3.838,1170 7.474,1171 3.837,1172 3.877,1173 3.908,1174 3.822,1175 3.802,1176 6.351,1177 3.802,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.975,1183 3.629,1184 3.667,1185 3.726,1186 3.524,1187 3.543,1188 4.89,1189 3.53,1190 3.467,1191 3.492,1192 3.386,1193 3.263,1194 4.796,1195 3.278,1196 3.382,1197 3.44,1198 3.275,1199 3.216,1200 4.582,1201 3.221,1202 3.303,1203 3.355,1204 3.192,1205 3.165,1206 4.337,1207 3.164,1208 0.114,1209 0.087,1210 0.17,1211 0.104,1212 0.081,1213 4.794,1214 0.113,1215 3.655,1216 0.056,1217 7.157,1218 0.299,1219 4.376,1220 0.079,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.067,1230 1.45,1231 2.064,1232 1.934,1233 1.904,1234 2.049,1235 2.028,1236 1.275,1237 2.042,1238 1.862,1239 1.83,1240 1.988,1241 1.972,1242 1.223,1243 1.978,1244 1.827,1245 1.794,1246 1.948,1247 1.943,1248 1.091,1249 1.946,1250 1.677,1251 1.62,1252 1.898,1253 1.835,1254 0.944,1255 1.862,1256 1.4,1257 1.366,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.346,1263 1.293,1264 1.563,1265 1.553,1266 0.77,1267 1.557,1268 1.292,1269 1.237,1270 1.515,1271 1.471,1272 0.724,1273 1.491,1274 4.443,1276 5.746,1277 2.398,1278 7.244,1279 4.949,1280 8.841,1281 7.248,1282 10.5,1286 14.167,1289 9.534,1290 6.527,1292 6.026,1294 -0.076,1299 6.307,1300 44.472,1301 101.153,1302 260.194,1303 352.959,1304 403.488,1305 403.488,1306 403.488,1307 77.695,1308 8.686,1309 64.35,1310 64.35,1311 29,1312 12.935,1313 4.644,1314 3.907,1315 59.492,1316 209,1317 260,1318 0.134,1319 269.478,1320 476.88,1321 649.286,1322 93290,1323 1.4,1324 26.321,1325 0.693,1326 0.561,1327 25.451,1328 21.328,1329 18.581,1330 0.442,1331 0.315,1332 13.081,1333 18.015,1334 12.83,1335 10.577,1336 18.187,1337 13.212,1338 16.455,1339 0.289,1340 0.172,1341 15.821,1342 9.795,1343 13.183,1344 0.176,1345 0.094,1346 12.841,1347 7.06,1348 11.623,1349 0.111,1350 0.052,1351 11.402,1352 5.41,1353 9.905,1354 0.071,1355 0.029,1356 9.624,1357 4.002,1358 0.217,1359 115.45,1360 0.187,1361 35.224,1362 0.346,1363 198,1364 593.022,1365 213.937,1366 550.706,1367 744.28,1368 516,1369 231,1370 536.088,1371 245.219,1372 538.564,1373 783.95,1374 509,1375 7.398} {0 CHEMBL177596,1 1.412,2 14.444,3 7.766,4 60.309,5 141.003,6 7.024,7 0.55,8 4.308,9 4.425,10 3.826,11 3.906,12 5.351,13 3.86,14 4.876,15 5.048,16 4.181,17 4.332,18 5.913,19 4.254,20 5.197,21 5.422,22 4.23,23 4.497,24 6.08,25 4.38,26 5.275,27 5.522,28 4.228,29 4.526,30 6.103,31 4.397,32 5.283,33 5.514,34 4.267,35 4.548,36 6.191,37 4.418,38 5.343,39 5.593,40 4.264,41 4.55,42 6.262,43 4.421,44 5.292,45 5.535,46 4.159,47 4.474,48 6.295,49 4.342,50 5.194,51 5.449,52 4.076,53 4.347,54 6.216,55 4.22,56 0.044,57 0.992,58 14.784,59 6.983,60 9.879,61 9.133,62 0.216,63 1.694,64 27.67,65 12.06,66 43.728,67 16.324,68 0.299,69 2.223,70 40.514,71 16.522,72 55.365,73 22.569,74 0.337,75 2.353,76 44.416,77 17.376,78 44.811,79 24.321,80 0.456,81 2.358,82 44.473,83 18.136,84 50.852,85 24.981,86 0.374,87 2.459,88 48.319,89 19.331,90 64.266,91 26.273,92 0.462,93 2.393,94 46.491,95 18.253,96 87.728,97 24.11,98 0.383,99 2.149,100 42.425,101 16.462,102 76.42,103 21.97,104 12,105 55,106 0.22,107 0.527,108 0.718,109 0.85,110 0.899,111 0.908,112 3.616,113 0.98,114 -6.21,115 -6.05,116 -5.62,118 44.9,120 9,121 1,124 1,140 9,141 5,142 1,143 2,150 2,154 1,163 1,167 1,168 22,169 1,172 8,175 1,177 1,180 24,181 1,186 10,191 1,194 23,195 1,198 5,199 1,203 1,206 22,207 2,209 1,210 5,213 1,215 2,218 29,219 2,222 4,227 2,229 30,230 3,234 5,239 3,242 27,243 3,247 5,252 3,255 22,256 2,259 5,264 2,267 16,268 2,270 2694,271 24.706,272 24.706,273 24.706,274 24.706,275 24.706,276 21.846,277 23.949,278 14.99,279 24.924,280 19.852,281 19.852,282 19.852,283 19.852,284 19.852,285 15.51,286 21.503,287 7.227,288 20.237,289 4.696,290 2.731,291 1.507,292 0.663,293 0.348,294 0.29,295 4.326,300 1,301 1141,302 3.873,305 67.788,306 403.473,309 252.548,313 2.259,314 33.255,317 0.75,318 0.5,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.77,325 76.5,326 520,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.075,337 3.51,338 6.102,339 3.697,340 2.7,341 3.676,342 0.522,343 8.765,344 2.692,345 3.93,346 2.927,347 5.785,348 3.639,349 2.651,350 3.444,352 8.001,353 2.616,354 3.896,355 2.891,356 5.537,357 3.512,358 2.522,359 3.37,361 7.23,362 2.498,363 3.621,364 2.718,365 5.34,366 3.264,367 2.305,368 2.928,370 6.965,371 2.208,372 3.53,373 2.562,374 5.147,375 3.192,376 2.207,377 2.787,379 6.184,380 2.16,381 3.356,382 2.471,383 4.966,384 2.985,385 2.008,386 2.605,388 5.833,389 1.946,390 3.272,391 2.179,392 4.851,393 2.91,394 1.925,395 2.502,397 5.273,398 1.876,399 2.956,400 1.718,401 4.37,402 2.661,403 1.674,404 2.118,406 4.097,407 1.652,408 2.756,409 1.638,410 3.892,411 2.465,412 1.486,413 1.82,415 3.457,416 1.447,417 2.678,418 1.469,419 3.776,420 2.391,421 1.414,422 1.717,424 3.042,425 1.38,426 2.581,427 1.382,428 3.695,429 2.251,430 1.256,431 1.593,433 2.997,434 1.247,435 2.5,436 1.248,437 3.553,438 2.191,439 1.193,440 1.5,442 2.665,443 1.19,444 2.48,445 1.009,446 3.473,447 1.956,448 1,449 1.47,451 2.335,452 0.954,453 2.192,454 1,455 3.247,456 1.902,457 0.92,458 1.145,460 2.136,461 0.9,462 17.252,463 0.479,464 0.763,465 0.021,466 43.5,467 1.208,468 21.5,469 0.597,470 22,471 0.611,472 36.857,473 1.024,474 38.548,475 0.559,476 32.953,477 0.915,478 8.016,479 0.223,480 9.565,481 0.266,482 0.055,484 0.313,486 1,487 0.647,488 1.066,489 0.826,490 1.029,491 0.585,492 0.969,493 0.54,494 1.08,495 0.914,496 1.083,497 0.41,498 1.054,499 0.818,500 1.033,501 0.99,502 1.029,503 0.785,504 1.034,505 0.725,506 0.92,507 0.97,508 0.977,509 0.589,510 0.994,511 0.651,512 0.946,513 0.983,514 1.075,515 0.725,516 1.08,517 0.892,518 0.937,519 0.934,520 0.988,521 0.938,522 0.971,523 1.264,524 1.041,525 1.103,526 1.034,527 1.324,528 1.046,529 1.167,530 1.021,531 0.984,532 0.995,533 1.173,534 0.97,535 6,536 0.164,537 2.667,538 2.674,539 1.64,540 1.344,541 0.746,542 0.642,543 0.413,544 0.239,545 21312,546 51656,547 2.137,548 47.8,549 16,550 11,552 2,553 1,554 3,558 1.773,559 2.038,560 3.716,561 -0.465,567 97.443,568 1.412,569 3.378,570 4.601,571 5.445,572 5.761,573 5.819,574 3.173,575 4.725,576 5.134,577 3.978,578 2506.25,579 9.025,580 41072.7,585 421.488,586 1.256,587 5.118,588 0.15,589 0.005,590 0.048,591 0.048,592 0.03,593 0.024,594 0.013,595 0.013,596 0.009,597 0.006,598 0.347,599 0.33,600 0.63,601 0.73,602 198.293,603 -0.021,604 -0.029,605 0.042,606 0.033,607 -0.008,608 0.042,609 0.094,610 -0.077,611 -0.014,612 -0.059,613 0.151,614 -0.053,615 -0.051,616 -0.06,617 -0.044,618 -0.03,619 -0.055,620 -0.037,621 -0.037,622 0.013,623 -0.021,624 -0.002,625 -0.009,626 -0.004,627 0.097,628 -0.031,629 -0.037,630 -0.08,631 0.001,632 -0.081,633 -0.014,634 -0.003,635 0.039,636 0.005,637 -0.042,638 0.027,639 -0.108,640 -0.011,641 -0.098,642 -0.038,643 -0.107,644 -0.061,645 -0.044,646 -0.01,647 0.025,648 -0.006,649 -0.002,650 0.017,651 2.443,652 6.166,653 0.694,654 47.194,655 0.993,656 1.122,657 4.977,658 24.767,659 0.667,660 3.714,661 4.025,662 4.304,663 4.644,664 4.934,665 5.069,666 5.257,667 5.442,668 5.501,669 5.568,670 8.454,671 0.627,672 484.66,673 3.714,674 5.252,675 6.103,676 6.989,677 7.869,678 8.772,679 9.669,680 10.583,681 11.492,682 12.414,683 2.9,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 69,726 23,727 2,728 40,730 73,731 31,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 9,753 20,754 11,755 1,756 1,761 1,765 1,770 1,772 33,773 4,774 1,775 5,779 2,784 0.6,785 2,795 1,797 1,801 1,802 4,805 2,818 1,830 1,832 3,838 1,840 36,845 1,846 10,850 1,861 1,862 2.9,864 1,865 1,869 17.667,870 12.16,871 7.917,872 4.579,874 4.165,875 1.484,876 0.99,877 7.701,878 12.772,879 3.97,880 4.567,881 5.147,882 5.785,883 6.356,884 6.668,885 7.105,886 7.549,887 7.795,888 8.081,889 1,890 56,891 13.429,893 5.806,894 7.704,895 26.205,897 22.397,899 2.204,900 79.333,904 376.675,905 158.545,906 18.685,908 67.828,909 14.96,911 158.545,912 444.504,913 33.645,915 24.916,916 85.286,917 109.066,918 44.43,919 19.861,920 353.133,922 376.675,923 177.229,924 82.788,927 391.635,928 67.828,931 44.91,932 115.533,933 16.786,935 391.635,936 86.513,937 158.545,940 376.675,941 55.164,942 105.28,944 99.574,945 376.675,946 101.473,947 158.545,949 0.571,950 0.321,951 0.188,952 0.112,953 26,954 11,955 0.137,956 10,957 2,958 1.16,959 4.727,960 346.883,961 0.16,962 25,963 186.117,968 24.56,969 11.288,970 5.831,971 1.935,972 99.574,973 21.6,974 4.19,978 5.798,979 2.254,980 42.683,981 636.693,982 52,987 11.616,991 -0.777,994 68.509,995 77.398,996 0.231,997 0.553,998 0.753,999 0.891,1000 0.943,1001 0.953,1002 5.201,1003 1.925,1004 6.071,1005 5.833,1006 4.71,1007 5.255,1008 2.313,1009 6.882,1010 4.671,1011 6.394,1012 1.674,1013 7.616,1014 5.273,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.129,1020 7.695,1021 1.486,1022 9.268,1023 4.097,1024 6.282,1025 7.459,1026 3.632,1027 10.965,1028 6.205,1029 9.033,1030 1.414,1031 10.987,1032 3.457,1033 6.635,1034 8.123,1035 4.112,1036 12.826,1037 6.516,1038 10.41,1039 1.256,1040 12.754,1041 3.042,1042 8.168,1043 10.021,1044 5.202,1045 15.541,1046 8.043,1047 11.815,1048 1.193,1049 14.557,1050 2.997,1051 8.96,1052 11.135,1053 5.889,1054 17.817,1055 8.793,1056 13.246,1057 1,1058 16.389,1059 2.665,1060 10.273,1061 12.817,1062 6.849,1063 20.396,1064 10.091,1065 3.405,1066 0.92,1067 18.245,1068 2.335,1069 11.29,1070 14.163,1071 7.625,1072 22.834,1073 11.067,1074 2.7,1075 12.577,1076 20.119,1077 2.136,1078 12.523,1079 15.759,1080 8.526,1081 25.376,1082 12.277,1083 2.651,1084 8.765,1085 22.01,1086 4.744,1087 13.648,1088 17.218,1089 9.342,1090 27.874,1091 13.364,1092 2.522,1093 8.001,1094 23.915,1095 3.676,1096 14.86,1097 18.783,1098 10.216,1099 30.407,1100 14.547,1101 2.305,1102 7.23,1103 25.83,1104 3.444,1105 16.036,1106 20.294,1107 11.051,1108 32.926,1109 15.688,1110 2.207,1111 6.965,1112 27.755,1113 3.37,1114 17.246,1115 21.85,1116 11.912,1117 35.457,1118 16.867,1119 2.008,1120 6.184,1121 29.688,1122 2.928,1123 18.445,1124 23.385,1125 12.755,1126 37.984,1127 18.033,1128 19939,1129 31225,1130 27.334,1131 46.04,1132 59.429,1133 60.284,1134 60.366,1135 59.063,1136 58.942,1137 76.62,1138 5.725,1139 166.672,1140 57.751,1141 5.744,1142 5.655,1143 6.959,1144 5.412,1145 5.405,1146 7.744,1147 3.925,1148 20.111,1149 5.308,1150 14.42,1151 1.486,1152 1.507,1153 1.509,1154 1.477,1155 1.474,1156 1.916,1157 0.143,1158 4.167,1159 1.444,1160 4.196,1161 4.228,1162 4.161,1163 4.113,1164 8.201,1165 4.12,1166 3.941,1167 3.977,1168 3.866,1169 3.882,1170 7.474,1171 3.874,1172 3.884,1173 3.922,1174 3.815,1175 3.797,1176 6.351,1177 3.796,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.903,1183 3.629,1184 3.619,1185 3.683,1186 3.467,1187 3.499,1188 4.864,1189 3.482,1190 3.467,1191 3.492,1192 3.383,1193 3.263,1194 4.697,1195 3.278,1196 3.378,1197 3.444,1198 3.26,1199 3.216,1200 4.215,1201 3.216,1202 3.244,1203 3.316,1204 3.081,1205 3.1,1206 4.116,1207 3.088,1208 0.12,1209 0.091,1210 0.179,1211 0.109,1212 0.085,1213 4.794,1214 0.119,1215 3.655,1216 0.059,1217 7.157,1218 0.314,1219 4.376,1220 0.083,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.975,1227 1.946,1228 2.101,1229 2.077,1230 1.45,1231 2.083,1232 1.945,1233 1.92,1234 2.073,1235 2.028,1236 1.385,1237 2.043,1238 1.881,1239 1.84,1240 2.027,1241 2.007,1242 1.24,1243 2.018,1244 1.843,1245 1.806,1246 1.968,1247 1.956,1248 1.149,1249 1.964,1250 1.635,1251 1.576,1252 1.854,1253 1.791,1254 1.023,1255 1.817,1256 1.401,1257 1.366,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.362,1263 1.297,1264 1.607,1265 1.558,1266 0.828,1267 1.575,1268 1.251,1269 1.182,1270 1.501,1271 1.445,1272 0.7,1273 1.474,1274 4.394,1276 5.707,1277 2.398,1278 7.215,1279 4.949,1280 8.821,1281 7.248,1282 10.486,1286 14.166,1289 9.54,1290 9.048,1294 -0.037,1300 43.284,1301 97.443,1302 233.057,1303 317.475,1304 375.714,1305 397.488,1306 401.488,1307 71.543,1308 8.607,1309 55.12,1310 55.12,1311 29,1312 12.925,1313 4.585,1314 3.7,1315 54.63,1316 178,1317 222,1318 0.145,1319 261.744,1320 456.07,1321 630.415,1322 81062,1323 1.4,1324 24.907,1325 0.692,1326 0.573,1327 24.037,1328 20.627,1329 17.581,1330 0.44,1331 0.327,1332 12.976,1333 17.151,1334 12.711,1335 10.493,1336 17.187,1337 13.073,1338 15.748,1339 0.286,1340 0.183,1341 15.114,1342 10.04,1343 12.683,1344 0.174,1345 0.102,1346 12.341,1347 7.447,1348 11.269,1349 0.109,1350 0.057,1351 11.048,1352 5.834,1353 9.655,1354 0.07,1355 0.032,1356 9.374,1357 4.364,1358 0.232,1359 108.541,1360 0.191,1361 33.358,1362 0.385,1363 190,1364 517.287,1365 202.394,1366 483.346,1367 655.24,1368 452,1369 223,1370 474.634,1371 233.897,1372 479.232,1373 698.83,1374 453,1375 6.301} {0 CHEMBL17796,1 1.419,2 11.778,3 3.12,4 9.733,5 106.916,6 6.206,7 0.179,8 4.16,9 4.291,10 3.547,11 3.6,12 5.126,13 3.554,14 4.767,15 4.969,16 3.89,17 3.98,18 5.752,19 3.903,20 5.056,21 5.295,22 3.86,23 4.137,24 5.875,25 4.017,26 5.124,27 5.387,28 3.887,29 4.192,30 5.928,31 4.052,32 5.117,33 5.39,34 3.916,35 4.203,36 5.888,37 4.064,38 5.12,39 5.38,40 3.9,41 4.215,42 5.929,43 4.074,44 5.169,45 5.453,46 3.724,47 4.175,48 5.924,49 3.999,50 5.047,51 5.327,52 3.675,53 4.06,54 5.806,55 3.893,56 0.044,57 0.812,58 15.157,59 5.992,60 11.423,61 8.44,62 0.432,63 1.258,64 28.164,65 9.528,66 50.495,67 13.887,68 0.557,69 1.493,70 37.236,71 11.94,72 50.874,73 17.543,74 0.489,75 1.616,76 39.223,77 12.714,78 55.443,79 19.182,80 0.438,81 1.656,82 38.683,83 12.512,84 47.42,85 19.26,86 0.456,87 1.681,88 39.141,89 12.474,90 45.952,91 19.197,92 0.525,93 1.619,94 40.752,95 12.868,96 57.349,97 19.702,98 0.399,99 1.416,100 35.904,101 11.752,102 44.47,103 17.692,104 47,105 37,106 0.234,107 0.518,108 0.763,109 0.854,110 0.87,111 0.87,112 3.339,113 1.083,114 -4.02,115 -3.97,116 -3.76,118 34.4,119 3,120 7,121 1,124 2,126 1,130 1,133 2,143 1,150 1,154 1,156 1,163 1,167 1,168 9,169 1,171 2,172 8,175 1,177 1,180 8,181 1,185 1,186 5,191 1,194 5,195 1,197 1,198 7,203 1,206 5,207 1,209 1,210 10,215 1,218 4,219 1,221 1,222 10,227 1,229 4,230 1,234 8,239 1,242 7,247 5,248 2,255 8,258 2,259 3,260 1,262 2,267 9,270 1420,271 17.889,272 17.889,273 17.889,274 17.889,275 17.889,276 16.825,277 18.091,278 11.13,279 18.133,280 13.829,281 13.829,282 13.829,283 13.829,284 13.829,285 12.248,286 18.358,287 5.301,288 14.26,289 4.512,290 2.793,291 1.312,292 0.758,293 0.66,294 0.66,295 4.003,299 1,300 1,301 637,302 4.243,305 77.146,306 96.156,313 1.959,314 26.728,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 59,326 318,327 4.41,328 3.817,329 6.87,330 4.282,331 3.31,332 3.917,333 2.341,334 11.492,335 3.219,336 4.145,337 3.597,338 6.529,339 3.929,340 2.966,341 3.225,342 1.465,343 10.276,344 2.856,345 3.583,346 3.261,347 5.739,348 3.417,349 2.454,350 2.727,351 0.811,352 7.713,353 2.355,354 3.539,355 2.595,356 4.698,357 3.237,358 2.232,359 2.624,361 5.185,362 2.217,363 3.102,364 2.17,365 4.657,366 2.81,367 1.823,368 2.154,370 4.796,371 1.799,372 2.852,373 1.952,374 4.01,375 2.64,376 1.661,377 1.884,379 3.47,380 1.622,381 2.666,382 1.758,383 3.698,384 2.449,385 1.479,386 1.68,388 3.172,389 1.425,390 2.582,391 1.463,392 3.661,393 2.223,394 1.288,395 1.6,397 2.837,398 1.199,399 2.052,400 1.37,401 3.452,402 1.868,403 0.903,404 0.99,406 2.111,407 0.869,408 2.02,409 1.036,410 3.192,411 1.82,412 0.866,413 0.974,415 1.749,416 0.816,417 1.945,418 0.91,419 3,420 1.697,421 0.763,422 0.871,424 1.679,425 0.709,426 1.419,427 0.769,428 2.867,429 1.165,430 0.218,431 0.245,433 0.508,434 0.203,435 1.212,436 0.475,437 2.768,438 1.107,439 0.133,440 0.141,442 0.225,443 0.129,444 0.769,445 0.169,446 2.31,447 0.654,448 -0.326,449 -0.34,451 -0.754,452 -0.315,453 0.539,454 0.123,455 2.245,456 0.404,457 -0.559,458 -0.597,460 -1.146,461 -0.536,462 12.633,463 0.468,464 0.659,465 0.024,466 23.25,467 0.861,468 6.5,469 0.241,470 16.75,471 0.62,472 32.236,473 1.194,474 32.967,475 0.54,476 16.066,477 0.595,478 4.024,479 0.149,480 8.903,481 0.33,482 0.172,483 0.04,484 0.19,487 0.842,488 1.615,489 0.984,490 1.444,491 0.768,492 1.264,493 0.848,494 1.243,495 0.976,496 1.207,497 0.465,498 1.119,499 1.339,500 1.014,501 1.132,502 1.007,503 0.981,504 1.037,505 0.966,506 1.054,507 0.996,508 1.016,509 0.708,510 1.011,511 0.766,512 1.046,513 0.904,514 0.967,515 0.511,516 0.952,517 0.881,518 1.126,519 1.076,520 1.094,521 0.594,522 1.1,523 0.996,524 0.955,525 1.074,526 0.98,527 0.787,528 1.024,529 0.92,530 1.008,531 0.967,532 1.021,533 0.76,534 1.005,535 5.5,536 0.224,537 2.667,538 1.5,539 1.409,540 0.903,541 0.572,542 0.356,543 0.301,544 0.206,545 8087,546 19460,547 1.946,548 55.7,549 13,550 7,552 2,553 1,554 2,555 2,556 7,558 1.704,559 1.81,560 3.451,561 -0.346,563 1,567 86.563,568 1.419,569 3.137,570 4.619,571 5.172,572 5.271,573 5.271,574 2.949,575 4.533,576 4.711,577 3.671,578 1288.53,579 8.209,580 17132.5,582 1,585 361.775,586 1.525,587 4.669,588 0.196,589 0.011,590 0.072,591 0.043,592 0.039,593 0.024,594 0.016,595 0.012,596 0.011,597 0.008,598 0.432,599 0.33,600 0.88,601 2.193,602 135.304,603 -0.018,604 -0.227,605 0.043,606 -0.115,607 -0.052,608 -0.039,609 0.187,610 -0.066,611 0.054,612 -0.087,613 0.236,614 -0.043,615 -0.141,616 0.015,617 -0.105,618 0.017,619 -0.127,620 -0.034,621 -0.046,622 -0.03,623 -0.015,624 -0.007,625 -0.012,626 -0.008,627 -0.001,628 -0.001,629 0.057,630 0.036,631 0.033,632 0.054,633 -0.056,634 -0.036,635 -0.096,636 -0.08,637 -0.021,638 -0.089,639 -0.114,640 0.032,641 -0.106,642 -0.015,643 -0.095,644 -0.05,645 -0.049,646 -0.042,647 -0.008,648 -0.034,649 -0.046,650 -0.016,651 2.435,652 3.624,653 0.407,654 31.962,655 0.994,656 1.139,657 2.786,658 7.761,659 0.607,660 3.367,661 3.638,662 3.784,663 4.025,664 4.22,665 4.304,666 4.331,667 4.382,668 4.344,669 4.304,670 6.858,671 0.563,672 378.57,673 3.367,674 4.875,675 5.673,676 6.535,677 7.371,678 8.248,679 9.105,680 9.992,681 10.861,682 11.754,683 3.3,691 1,693 1,699 2,700 1,704 1,705 1,706 5,724 61,726 7,728 28,730 62,731 21,733 3,739 2,740 2,745 3,748 2,749 1,751 9,753 6,754 15,755 1,756 2,761 1,763 2,765 1,769 1,772 34,773 5,774 1,775 6,778 1,779 2,784 1,785 4,801 1,802 1,818 1,822 2,830 1,831 2,832 2,836 3,840 27,845 1,846 9,848 2,850 2,852 1,862 6.6,864 1,865 1,866 2,869 14.917,870 11.35,871 6.167,872 4.094,874 1.324,875 1.193,876 0.879,877 8.843,878 8.2,879 3.512,880 3.917,881 4.225,882 4.652,883 4.856,884 5.081,885 5.289,886 5.468,887 5.528,888 5.604,889 1,890 35,891 10.057,893 4.084,894 7.713,895 19.614,897 15.752,899 2.213,900 59.75,903 1,904 388.446,905 91.201,906 18.685,908 89.828,911 91.201,912 478.274,913 18.685,914 26.476,915 24.44,916 18.952,917 139.684,918 10.947,919 2.757,920 364.904,922 388.446,923 109.885,924 89.828,927 282.506,928 173.768,929 22,931 70.481,932 3.667,933 35.738,935 388.446,936 108.513,937 91.201,940 388.446,941 28.106,942 64.993,944 106.614,945 388.446,946 108.513,947 91.201,949 0.56,950 0.292,951 0.153,952 0.088,953 14,954 7,955 0.177,956 11,958 1,959 3.852,960 209.515,962 11,963 126.382,968 21.97,969 10.867,970 7.305,972 106.614,973 3.805,974 4.366,978 1.104,979 2.211,980 42.683,981 588.16,982 32.5,987 10.624,989 3.987,991 -0.768,994 60.65,995 69.477,996 0.239,997 0.529,998 0.779,999 0.872,1000 0.889,1001 0.889,1002 4.747,1003 1.288,1004 5.666,1005 3.172,1006 4.317,1007 4.6,1008 2.719,1009 6.466,1010 4.252,1011 5.897,1012 0.903,1013 7.219,1014 2.837,1015 4.007,1016 4.331,1017 2.243,1018 7.644,1019 3.938,1020 7.176,1021 0.866,1022 8.893,1023 2.111,1024 5.938,1025 6.525,1026 3.865,1027 10.632,1028 5.809,1029 8.491,1030 0.763,1031 10.643,1032 1.749,1033 6.479,1034 7.115,1035 4.112,1036 12.62,1037 6.337,1038 9.842,1039 0.218,1040 12.443,1041 1.679,1042 7.909,1043 8.798,1044 5.308,1045 15.208,1046 7.72,1047 11.218,1048 0.133,1049 14.274,1050 0.508,1051 8.815,1052 9.789,1053 5.889,1054 17.464,1055 8.606,1056 12.613,1057 -0.326,1058 16.126,1059 0.225,1060 10.071,1061 11.274,1062 6.893,1063 19.936,1064 9.824,1065 3.31,1066 -0.559,1067 17.993,1068 -0.754,1069 11.133,1070 12.457,1071 7.625,1072 22.289,1073 10.861,1074 2.966,1075 11.492,1076 19.871,1077 -1.146,1078 12.33,1079 13.862,1080 8.543,1081 24.725,1082 12.026,1083 2.454,1084 10.276,1085 21.755,1086 3.917,1087 13.457,1088 15.137,1089 9.342,1090 27.117,1091 13.127,1092 2.232,1093 7.713,1094 23.646,1095 3.225,1096 14.637,1097 16.512,1098 10.223,1099 29.543,1100 14.277,1101 1.823,1102 5.185,1103 25.54,1104 2.727,1105 15.794,1106 17.831,1107 11.051,1108 31.953,1109 15.407,1110 1.661,1111 4.796,1112 27.439,1113 2.624,1114 16.971,1115 19.195,1116 11.915,1117 34.377,1118 16.556,1119 1.479,1120 3.47,1121 29.339,1122 2.154,1123 18.142,1124 20.536,1125 12.755,1126 36.797,1127 17.7,1128 8386,1129 13158,1130 17.97,1131 37.012,1132 40.878,1133 41.23,1134 41.569,1135 40.124,1136 40.195,1137 46.065,1138 9.234,1139 110.426,1140 38.839,1141 5.41,1142 5.71,1143 6.806,1144 5.357,1145 5.31,1146 6.575,1147 3.925,1148 18.654,1149 5.181,1150 15.627,1151 1.46,1152 1.473,1153 1.485,1154 1.433,1155 1.436,1156 1.645,1157 0.33,1158 3.944,1159 1.387,1160 4.022,1161 4.071,1162 3.961,1163 3.851,1164 7.474,1165 3.869,1166 3.797,1167 3.844,1168 3.693,1169 3.654,1170 6.351,1171 3.651,1172 3.713,1173 3.771,1174 3.588,1175 3.573,1176 4.962,1177 3.561,1178 3.668,1179 3.715,1180 3.517,1181 3.479,1182 4.77,1183 3.49,1184 3.492,1185 3.541,1186 3.368,1187 3.323,1188 4.375,1189 3.32,1190 3.36,1191 3.443,1192 3.153,1193 3.196,1194 4.189,1195 3.175,1196 3.246,1197 3.292,1198 3.095,1199 3.049,1200 4.045,1201 3.055,1202 2.939,1203 3.047,1204 2.699,1205 2.725,1206 3.91,1207 2.698,1208 0.158,1209 0.136,1210 0.245,1211 0.153,1212 0.118,1213 4.41,1214 0.14,1215 3.817,1216 0.084,1217 6.87,1218 0.41,1219 4.282,1220 0.115,1221 3.31,1222 3.917,1223 2.341,1224 11.492,1225 3.219,1226 1.858,1227 1.822,1228 2.041,1229 2.034,1230 1.379,1231 2.031,1232 1.77,1233 1.709,1234 2.01,1235 1.941,1236 1.337,1237 1.967,1238 1.678,1239 1.636,1240 1.891,1241 1.863,1242 1.136,1243 1.873,1244 1.553,1245 1.485,1246 1.815,1247 1.774,1248 1.062,1249 1.79,1250 1.478,1251 1.418,1252 1.755,1253 1.68,1254 0.962,1255 1.703,1256 1.334,1257 1.283,1258 1.556,1259 1.537,1260 0.767,1261 1.54,1262 1.232,1263 1.148,1264 1.478,1265 1.491,1266 0.637,1267 1.498,1268 1.163,1269 1.109,1270 1.417,1271 1.412,1272 0.538,1273 1.415,1274 4.043,1276 5.323,1277 2.398,1278 6.779,1279 4.595,1280 8.334,1281 6.581,1282 9.956,1284 6.108,1289 8.738,1290 7.928,1292 12.158,1294 0.108,1296 -0.62,1300 34.331,1301 86.563,1302 191.384,1303 281.736,1304 315.51,1305 321.51,1306 321.51,1307 71.264,1308 6.876,1309 73.58,1310 73.58,1311 11,1312 12.287,1313 3,1314 2.459,1315 58.224,1316 102,1317 135,1318 0.265,1319 215.287,1320 382.84,1321 517.06,1322 8487,1324 19.7,1325 0.73,1326 0.626,1327 19.7,1328 16.894,1329 12.927,1330 0.462,1331 0.361,1332 9.976,1333 12.363,1334 9.661,1335 8.085,1336 12.927,1337 10.112,1338 11.567,1339 0.313,1340 0.209,1341 11.567,1342 7.721,1343 8.138,1344 0.189,1345 0.114,1346 8.138,1347 4.903,1348 6.513,1349 0.118,1350 0.062,1351 6.513,1352 3.384,1353 5.133,1354 0.077,1355 0.036,1356 5.133,1357 2.408,1358 0.417,1359 81.405,1360 0.236,1361 26.236,1362 0.725,1363 130,1364 374.647,1365 147.586,1366 346.629,1367 459.29,1368 324,1369 145,1370 324.767,1371 160.709,1372 321.477,1373 466.03,1374 301,1375 6.046} {0 CHEMBL17797,1 1.61,2 9.143,3 1.241,4 1.54,5 83.142,6 7.415,7 0.227,8 3.818,9 3.918,10 3.416,11 3.334,12 4.881,13 3.282,14 4.395,15 4.551,16 3.798,17 3.697,18 5.525,19 3.628,20 4.653,21 4.838,22 3.681,23 3.798,24 5.592,25 3.695,26 4.721,27 4.955,28 3.694,29 3.87,30 5.617,31 3.718,32 4.675,33 4.92,34 3.735,35 3.878,36 5.519,37 3.699,38 4.611,39 4.845,40 3.484,41 3.769,42 5.509,43 3.584,44 4.554,45 4.84,46 3.136,47 3.519,48 5.384,49 3.327,50 4.206,51 4.46,52 3.09,53 3.247,54 5.116,55 3.102,56 0.05,57 0.566,58 9.85,59 4.572,60 11.183,61 5.475,62 0.387,63 0.901,64 20.58,65 7.344,66 49.111,67 9.152,68 0.532,69 1.039,70 28.091,71 9.167,72 54.644,73 11.179,74 0.478,75 1.142,76 29.495,77 10.239,78 53.954,79 13.138,80 0.333,81 1.159,82 31.712,83 10.687,84 41.082,85 13.494,86 0.355,87 1.092,88 30.069,89 9.639,90 39.899,91 12.263,92 0.432,93 0.909,94 25.467,95 7.632,96 52.296,97 10.648,98 0.268,99 0.643,100 18.826,101 5.868,102 32.952,103 7.552,104 23,105 30,106 0.289,107 0.614,108 0.801,109 0.851,110 0.859,111 0.859,112 3.102,113 1.081,114 -2.56,115 -2.59,116 -2.52,118 35.7,119 2,120 3,121 1,124 1,126 1,130 1,133 2,143 1,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 8,175 1,177 1,180 5,181 1,186 4,191 1,194 4,195 1,197 1,198 4,203 1,206 5,207 1,210 5,215 1,218 6,219 1,221 1,222 6,227 1,229 3,230 1,234 4,239 1,242 3,247 1,248 2,255 3,258 2,259 1,262 2,267 2,268 1,270 642,271 13.69,272 13.69,273 13.69,274 13.69,275 13.69,276 12.626,277 15.179,278 8.315,279 14.048,280 10.887,281 10.887,282 10.887,283 10.887,284 10.887,285 9.373,286 17.411,287 3.996,288 11.492,289 3.782,290 1.97,291 0.929,292 0.655,293 0.607,294 0.607,295 3.758,299 1,300 1,301 394,302 3.536,305 54.211,306 75.184,313 1.388,314 23.992,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 46.5,326 192,327 4.329,328 3.811,329 6.829,330 4.265,331 3.292,332 3.626,333 2.341,334 11.346,335 3.206,336 4.005,337 3.597,338 6.358,339 3.797,340 2.838,341 3.186,342 1.465,343 9.697,344 2.719,345 3.563,346 3.158,347 5.246,348 3.245,349 2.258,350 2.725,351 0.811,352 6.393,353 2.223,354 3.458,355 2.391,356 4.659,357 3.16,358 2.213,359 2.567,361 5.183,362 2.054,363 3.068,364 2.006,365 4.244,366 2.591,367 1.616,368 2.119,370 3.734,371 1.569,372 2.652,373 1.852,374 3.682,375 2.311,376 1.404,377 1.672,379 3.141,380 1.257,381 2.118,382 1.42,383 3.438,384 1.82,385 0.868,386 0.976,388 2.018,389 0.816,390 2.048,391 1.036,392 3.111,393 1.67,394 0.767,395 0.927,397 1.727,398 0.683,399 1.945,400 0.77,401 3,402 1.427,403 0.618,404 0.871,406 1.372,407 0.491,408 1.41,409 0.618,410 2.828,411 1.148,412 0.21,413 0.235,415 0.494,416 0.193,417 0.769,418 0.475,419 2.739,420 0.653,421 -0.326,422 -0.34,424 -0.755,425 -0.315,426 0.481,427 0.123,428 2.249,429 0.262,430 -0.711,431 -0.749,433 -2,434 -0.685,435 0.365,436 -0.217,437 2.079,438 0.048,439 -1,440 -1,442 -2.263,443 -0.931,444 0.125,445 -0.642,446 2,448 -1,449 -1.064,451 -2.516,452 -1,454 -0.869,455 1.657,456 -0.057,457 -1,458 -1.31,460 -3,461 -1.04,462 10.067,463 0.479,464 0.608,465 0.029,466 19.5,467 0.929,468 6.5,469 0.31,470 13,471 0.619,472 21.808,473 1.038,474 24.733,475 0.589,476 12.093,477 0.576,478 3.589,479 0.171,480 6.389,481 0.304,482 0.166,483 0.05,484 0.199,487 0.832,488 1.312,489 0.797,490 1.119,491 0.772,492 1.075,493 0.842,494 1.156,495 0.878,496 1.083,497 0.472,498 1.014,499 1.488,500 1.005,501 1.128,502 1.016,503 1.075,504 1.089,505 0.946,506 0.901,507 0.899,508 0.878,509 0.713,510 0.977,511 0.607,512 1.054,513 1.032,514 1.113,515 0.473,516 0.996,517 0.717,518 1.253,519 1.364,520 1.363,521 0.587,522 1.237,523 0.921,524 0.807,525 0.865,526 0.77,527 0.875,528 0.92,529 1.011,530 0.936,531 0.949,532 0.944,533 1.035,534 0.905,535 5,536 0.137,537 2.222,538 1.153,539 1.124,540 0.629,541 0.333,542 0.178,543 0.163,544 0.14,545 4137,546 13352,547 1.957,548 50,549 4,550 5,552 2,553 1,554 2,556 7,558 1.631,559 1.813,560 3.127,561 -0.244,562 1,563 1,565 1,567 67.635,568 1.61,569 3.422,570 4.463,571 4.737,572 4.785,573 4.785,574 2.475,575 3.785,576 4.356,577 3.352,578 703.873,579 7.467,580 7728.15,581 1,582 1,585 226.477,586 1.582,587 4.3,588 0.227,589 0.014,590 0.074,591 0.044,592 0.043,593 0.024,594 0.016,595 0.013,596 0.012,597 0.011,598 0.478,599 0.33,600 1,601 1.92,602 95.891,603 -0.052,604 -0.099,605 0.061,606 -0.004,607 -0.082,608 0.001,609 0.168,610 -0.066,611 0.084,612 -0.033,613 0.229,614 -0.004,615 -0.258,616 -0.035,617 -0.191,618 -0.052,619 -0.2,620 -0.127,621 -0.066,622 0.055,623 0.001,624 0.068,625 -0.02,626 0.009,627 0.023,628 -0.038,629 0.059,630 -0.003,631 0.057,632 0.048,633 -0.025,634 -0.195,635 -0.244,636 -0.249,637 -0.019,638 -0.213,639 -0.101,640 0.094,641 -0.022,642 0.053,643 -0.112,644 0.017,645 -0.067,646 -0.02,647 0.031,648 0.006,649 -0.091,650 0.066,651 2.437,652 3.464,653 0.524,654 18.272,655 1.008,656 1.129,657 1.333,658 1.777,659 0.645,660 3.135,661 3.434,662 3.555,663 3.784,664 3.951,665 3.97,666 3.932,667 3.892,668 3.738,669 3.638,670 5.691,671 0.603,672 311.44,673 3.135,674 4.654,675 5.451,676 6.319,677 7.149,678 8.025,679 8.873,680 9.753,681 10.612,682 11.495,683 2.4,693 1,699 2,700 1,703 1,704 1,706 5,724 42,726 7,728 22,730 43,731 15,733 3,739 2,740 2,745 2,748 2,749 1,751 5,753 6,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 21,773 5,774 1,775 6,776 1,779 1,784 1,785 4,801 1,802 1,818 1,822 2,830 1,831 2,832 2,834 1,836 2,840 21,845 1,846 4,848 2,850 2,852 1,855 1,862 9.5,864 1,865 1,866 2,869 11.583,870 7.817,871 4.639,872 2.475,874 1.131,875 1.181,876 0.879,877 5.764,878 7.389,879 3.314,880 3.744,881 4.014,882 4.42,883 4.534,884 4.736,885 4.914,886 5.035,887 4.973,888 5.007,889 0.833,890 26,891 7.786,893 3.222,894 7.885,895 14.855,897 11.977,899 2.385,900 50.083,904 235.422,905 98.613,906 16.786,908 89.828,910 31.278,911 67.335,912 325.25,913 16.786,914 17.65,915 12.196,916 18.952,917 138.286,918 9.047,919 1.358,920 243.158,922 235.422,923 84.12,924 89.828,925 31.278,927 153.024,928 150.226,929 22,931 46.114,932 2.268,933 35.738,934 31.278,935 235.422,936 106.614,937 98.613,940 235.422,941 45.742,942 52.871,944 106.614,945 235.422,946 106.614,947 98.613,949 0.575,950 0.294,951 0.152,952 0.086,953 13,954 6,955 0.14,956 6,958 1,959 3.328,960 148.291,962 11,963 90.239,964 1,968 16.436,969 7.365,970 5.078,972 106.614,973 3.652,974 4.123,977 1.588,978 1.107,980 42.683,981 440.648,982 26.5,987 10.464,989 3.935,991 -0.77,994 42.323,995 47.408,996 0.299,997 0.635,998 0.828,999 0.879,1000 0.887,1001 0.887,1002 4.557,1003 0.767,1004 5.468,1005 2.018,1006 4.111,1007 4.425,1008 2.719,1009 6.275,1010 4.014,1011 5.726,1012 0.618,1013 7.029,1014 1.727,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.823,1020 7.012,1021 0.21,1022 8.709,1023 1.372,1024 5.759,1025 6.333,1026 3.865,1027 10.44,1028 5.601,1029 8.327,1030 -0.326,1031 10.462,1032 0.494,1033 6.347,1034 6.826,1035 4.112,1036 12.441,1037 6.2,1038 9.673,1039 -0.711,1040 12.261,1041 -0.755,1042 7.745,1043 8.508,1044 5.308,1045 15.004,1046 7.54,1047 11.038,1048 -1,1049 14.091,1050 -2,1051 8.67,1052 9.368,1053 5.889,1054 17.261,1055 8.459,1056 12.418,1057 -1,1058 15.941,1059 -2.263,1060 9.911,1061 10.832,1062 6.893,1063 19.717,1064 9.66,1065 3.292,1066 -1,1067 17.805,1068 -2.516,1069 10.979,1070 11.884,1071 7.625,1072 22.067,1073 10.712,1074 2.838,1075 11.346,1076 19.679,1077 -3,1078 12.17,1079 13.246,1080 8.543,1081 24.49,1082 11.872,1083 2.258,1084 9.697,1085 21.56,1086 3.626,1087 13.299,1088 14.402,1089 9.342,1090 26.877,1091 12.98,1092 2.213,1093 6.393,1094 23.446,1095 3.186,1096 14.476,1097 15.717,1098 10.223,1099 29.292,1100 14.13,1101 1.616,1102 5.183,1103 25.337,1104 2.725,1105 15.633,1106 16.929,1107 11.051,1108 31.696,1109 15.264,1110 1.404,1111 3.734,1112 27.232,1113 2.567,1114 16.809,1115 18.222,1116 11.915,1117 34.111,1118 16.414,1119 0.868,1120 3.141,1121 29.129,1122 2.119,1123 17.979,1124 19.465,1125 12.755,1126 36.523,1127 17.561,1128 4269,1129 7741,1130 14.099,1131 27.085,1132 33.101,1133 32.846,1134 32.268,1135 31.958,1136 32.167,1137 37.81,1138 9.234,1139 90.213,1140 30.422,1141 5.329,1142 5.626,1143 6.599,1144 5.359,1145 5.292,1146 6.232,1147 3.925,1148 18.167,1149 5.161,1150 11.579,1151 1.505,1152 1.493,1153 1.467,1154 1.453,1155 1.462,1156 1.719,1157 0.42,1158 4.101,1159 1.383,1160 3.947,1161 3.968,1162 4.217,1163 3.884,1164 7.474,1165 3.837,1166 3.736,1167 3.771,1168 3.731,1169 3.654,1170 6.351,1171 3.622,1172 3.657,1173 3.689,1174 3.586,1175 3.494,1176 4.91,1177 3.492,1178 3.49,1179 3.537,1180 3.368,1181 3.323,1182 4.75,1183 3.319,1184 3.246,1185 3.29,1186 3.109,1187 3.054,1188 4.375,1189 3.059,1190 2.876,1191 3.009,1192 2.703,1193 2.618,1194 4.044,1195 2.591,1196 2.874,1197 2.941,1198 2.655,1199 2.579,1200 3.88,1201 2.582,1202 2.828,1203 2.882,1204 2.588,1205 2.575,1206 3.606,1207 2.57,1208 0.197,1209 0.173,1210 0.31,1211 0.194,1212 0.15,1213 4.329,1214 0.165,1215 3.811,1216 0.106,1217 6.829,1218 0.516,1219 4.265,1220 0.146,1221 3.292,1222 3.626,1223 2.341,1224 11.346,1225 3.206,1226 1.841,1227 1.811,1228 2.015,1229 2.006,1230 1.35,1231 2.007,1232 1.676,1233 1.639,1234 1.885,1235 1.862,1236 1.132,1237 1.87,1238 1.494,1239 1.442,1240 1.76,1241 1.686,1242 0.962,1243 1.711,1244 1.356,1245 1.333,1246 1.518,1247 1.536,1248 0.738,1249 1.531,1250 1.22,1251 1.177,1252 1.417,1253 1.435,1254 0.583,1255 1.436,1256 1.148,1257 1.11,1258 1.413,1259 1.277,1260 0.469,1261 1.341,1262 0.934,1263 0.804,1264 1.203,1265 1.239,1266 0.304,1267 1.308,1268 0.803,1269 0.739,1270 1.149,1271 1.156,1272 0.289,1273 1.155,1274 3.807,1276 5.106,1277 2.398,1278 6.575,1279 4.443,1280 8.138,1281 6.293,1282 9.762,1284 3.833,1289 8.607,1290 2.15,1292 11.782,1294 0.199,1296 -0.585,1300 25.336,1301 67.635,1302 143.722,1303 187.458,1304 198.968,1305 200.968,1306 200.968,1307 45.435,1308 6.258,1309 68.65,1310 96.89,1311 11,1312 12.034,1313 3,1314 2.459,1315 39.342,1316 68,1317 79,1318 0.278,1319 162.069,1320 286.55,1321 387.209,1322 3571,1324 15.295,1325 0.728,1326 0.626,1327 15.648,1328 13.136,1329 9.978,1330 0.454,1331 0.36,1332 7.014,1333 9.045,1334 6.706,1335 5.546,1336 10.432,1337 7.927,1338 9.407,1339 0.314,1340 0.216,1341 9.991,1342 6.471,1343 6.447,1344 0.19,1345 0.123,1346 7.113,1347 4.183,1348 5.128,1349 0.119,1350 0.07,1351 5.793,1352 3.015,1353 3.941,1354 0.077,1355 0.041,1356 4.379,1357 2.091,1358 0.434,1359 67.679,1360 0.266,1361 21.049,1362 0.761,1363 104,1364 343.862,1365 141.955,1366 336.828,1367 439.91,1368 314,1369 116,1370 288.998,1371 147.668,1372 300.442,1373 433.82,1374 280,1375 7.097} {0 CHEMBL17912,1 1.458,2 9.591,3 1.344,4 1.805,5 83.955,6 6.787,7 0.261,8 3.876,9 3.986,10 3.342,11 3.351,12 4.945,13 3.325,14 4.449,15 4.615,16 3.701,17 3.711,18 5.575,19 3.666,20 4.739,21 4.936,22 3.667,23 3.868,24 5.687,25 3.784,26 4.802,27 5.046,28 3.601,29 3.894,30 5.687,31 3.767,32 4.749,33 5.004,34 3.607,35 3.887,36 5.602,37 3.754,38 4.742,39 4.991,40 3.515,41 3.848,42 5.628,43 3.702,44 4.734,45 5.025,46 3.268,47 3.702,48 5.559,49 3.526,50 4.43,51 4.698,52 3.095,53 3.423,54 5.305,55 3.273,56 0.03,57 0.588,58 10.333,59 4.54,60 11.316,61 5.911,62 0.342,63 0.918,64 19.637,65 7.186,66 49.66,67 9.739,68 0.463,69 1.121,70 27.201,71 9.069,72 56.735,73 12.272,74 0.458,75 1.186,76 28.907,77 9.869,78 57.028,79 13.969,80 0.252,81 1.176,82 26.775,83 9.729,84 43.373,85 14.051,86 0.341,87 1.168,88 26.803,89 9.244,90 45.759,91 13.521,92 0.407,93 1.062,94 27.376,95 8.563,96 56.908,97 12.887,98 0.261,99 0.773,100 20.008,101 6.553,102 37.708,103 9.518,104 23,105 31,106 0.257,107 0.599,108 0.8,109 0.86,110 0.868,111 0.868,112 3.146,113 0.986,114 -2.97,115 -2.97,116 -2.87,118 37.8,119 2,120 3,121 1,124 1,126 1,130 1,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 7,169 1,171 1,172 10,175 1,177 1,180 7,181 1,186 5,191 1,194 5,195 1,197 1,198 6,203 1,206 9,207 1,210 5,215 1,218 8,219 1,221 1,222 7,227 1,229 7,230 1,234 4,239 1,242 5,247 1,248 2,255 4,256 1,258 2,259 2,262 2,264 1,267 3,268 1,270 732,271 14.397,272 14.397,273 14.397,274 14.397,275 14.397,276 13.204,277 15.179,278 8.815,279 14.54,280 11.387,281 11.387,282 11.387,283 11.387,284 11.387,285 9.706,286 17.411,287 4.246,288 11.641,289 4.034,290 2.095,291 0.956,292 0.611,293 0.567,294 0.567,295 3.806,298 1,299 1,300 1,301 431,302 3.536,306 146.232,313 1.446,314 24.3,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 48.5,326 211,327 4.326,328 3.811,329 6.828,330 4.269,331 3.291,332 3.6,333 2.341,334 11.346,335 3.216,336 3.993,337 3.597,338 6.357,339 3.821,340 2.832,341 3.183,342 1.465,343 9.694,344 2.799,345 3.563,346 3.154,347 5.238,348 3.251,349 2.252,350 2.726,351 0.811,352 6.369,353 2.234,354 3.46,355 2.384,356 4.659,357 3.2,358 2.208,359 2.591,361 5.183,362 2.18,363 3.093,364 2.006,365 4.237,366 2.625,367 1.648,368 2.189,370 3.762,371 1.607,372 2.83,373 1.865,374 3.686,375 2.447,376 1.48,377 1.886,379 3.158,380 1.423,381 2.5,382 1.445,383 3.558,384 1.958,385 1,386 1.5,388 2.523,389 0.955,390 2.173,391 1.243,392 3.247,393 1.913,394 1,395 1.139,397 2.136,398 0.904,399 1.946,400 1,401 3.192,402 1.816,403 0.835,404 0.879,406 1.788,407 0.812,408 1.427,409 0.787,410 2.867,411 1.173,412 0.227,413 0.254,415 0.531,416 0.211,417 0.785,418 0.482,419 2.768,420 0.655,421 -0.326,422 -0.34,424 -0.751,425 -0.315,426 0.727,427 0.123,428 2.267,429 0.436,430 -0.53,431 -0.6,433 -1.377,434 -0.509,435 0.5,436 -0.089,437 2.159,438 0.05,439 -1,440 -1,442 -2,443 -0.928,444 0.477,445 -0.619,446 2,448 -1,449 -1.06,451 -2.347,452 -0.967,453 0.187,454 -0.744,455 1.69,456 -0.012,457 -1,458 -1.207,460 -2.445,461 -0.988,462 10.233,463 0.465,464 0.608,465 0.028,466 22,467 1,468 8.5,469 0.386,470 13.5,471 0.614,472 21.161,473 0.962,474 25.767,475 0.573,476 15.137,477 0.688,478 4.311,479 0.196,480 6.167,481 0.28,482 0.163,483 0.049,484 0.195,487 0.825,488 1.385,489 0.881,490 1.296,491 0.776,492 1.129,493 0.847,494 1.198,495 0.912,496 1.169,497 0.482,498 1.067,499 1.479,500 1.035,501 1.235,502 1.035,503 1.057,504 1.085,505 0.987,506 0.929,507 1.027,508 0.963,509 0.728,510 1.001,511 0.631,512 1.057,513 0.851,514 1.037,515 0.474,516 0.995,517 0.739,518 1.137,519 1.046,520 1.131,521 0.595,522 1.144,523 0.853,524 0.85,525 0.972,526 0.879,527 0.786,528 0.93,529 0.922,530 1,531 0.961,532 1.017,533 0.925,534 1.002,535 5,536 0.144,537 2.222,538 1.313,539 1.156,540 0.646,541 0.364,542 0.236,543 0.164,544 0.141,545 4667,546 13736,547 1.959,548 51.1,549 4,550 7,552 2,553 1,554 2,556 7,558 1.646,559 1.821,560 3.198,561 -0.31,562 1,563 1,565 1,567 65.605,568 1.458,569 3.397,570 4.536,571 4.881,572 4.925,573 4.925,574 2.681,575 3.698,576 4.423,577 3.406,578 786.676,579 7.607,580 8893.08,582 1,585 247.133,586 1.546,587 4.371,588 0.217,589 0.013,590 0.072,591 0.045,592 0.043,593 0.023,594 0.015,595 0.013,596 0.011,597 0.01,598 0.463,599 0.33,600 1,601 1.866,602 102.1,603 -0.041,604 -0.123,605 0.034,606 -0.069,607 -0.082,608 -0.013,609 0.172,610 -0.083,611 0.059,612 -0.083,613 0.224,614 -0.038,615 -0.251,616 -0.025,617 -0.226,618 -0.024,619 -0.19,620 -0.109,621 -0.075,622 0.046,623 -0.064,624 0.027,625 -0.029,626 -0.012,627 0.014,628 -0.061,629 0.069,630 -0.017,631 0.062,632 0.028,633 -0.019,634 -0.117,635 -0.114,636 -0.133,637 -0.03,638 -0.142,639 -0.069,640 0.079,641 -0.016,642 0.039,643 -0.077,644 0.029,645 -0.048,646 -0.083,647 0.002,648 -0.064,649 -0.086,650 -0.027,651 2.441,652 3.492,653 0.545,654 20.116,655 1.003,656 1.131,657 1.74,658 3.026,659 0.627,660 3.178,661 3.466,662 3.584,663 3.807,664 4.06,665 4.007,666 4.007,667 4.007,668 3.951,669 3.784,670 5.832,671 0.593,672 305.41,673 3.178,674 4.691,675 5.485,676 6.347,677 7.174,678 8.046,679 8.891,680 9.768,681 10.623,682 11.503,683 2.2,693 1,699 4,700 1,704 1,706 6,724 45,726 8,728 23,730 46,731 17,733 5,739 2,740 2,745 2,748 2,749 1,751 5,753 8,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 23,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,818 1,822 2,830 1,831 2,832 2,836 2,840 22,845 1,846 4,848 2,850 2,852 1,862 8.9,864 1,865 1,866 2,869 12.083,870 8.317,871 4.889,872 2.683,874 1.391,875 1.218,876 0.877,877 5.838,878 7.779,879 3.367,880 3.795,881 4.073,882 4.479,883 4.932,884 4.861,885 5.115,886 5.294,887 5.396,888 5.348,889 1,890 29,891 8.151,893 3.357,894 7.875,895 15.531,897 12.43,899 2.375,900 52.25,904 258.964,905 89.942,906 16.786,908 89.828,911 89.942,912 348.792,913 16.786,914 17.65,915 12.196,916 37.905,917 131.066,918 21.28,920 235.422,922 258.964,923 106.727,924 89.828,927 176.567,928 150.226,929 22,931 47.941,932 23.048,933 35.738,935 258.964,936 106.614,937 89.942,940 258.964,941 16.291,942 73.65,944 106.614,945 258.964,946 106.614,947 89.942,949 0.571,950 0.292,951 0.152,952 0.094,953 13,954 6,955 0.13,956 6,958 1,959 3.411,960 158.293,962 12,963 96.107,968 16.819,969 7.637,970 5.311,972 106.614,973 7.489,974 4.167,978 1.044,980 42.683,981 455.519,982 28,987 10.492,989 3.927,991 -0.774,994 45.131,995 50.903,996 0.265,997 0.619,998 0.826,999 0.889,1000 0.897,1001 0.897,1002 4.6,1003 1,1004 5.493,1005 2.523,1006 4.143,1007 4.477,1008 2.719,1009 6.29,1010 4.097,1011 5.766,1012 0.835,1013 7.047,1014 2.136,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.862,1020 7.046,1021 0.227,1022 8.72,1023 1.788,1024 5.778,1025 6.386,1026 3.865,1027 10.443,1028 5.694,1029 8.353,1030 -0.326,1031 10.469,1032 0.531,1033 6.33,1034 6.74,1035 4.112,1036 12.438,1037 6.252,1038 9.691,1039 -0.53,1040 12.265,1041 -0.751,1042 7.754,1043 8.562,1044 5.308,1045 15.004,1046 7.633,1047 11.049,1048 -1,1049 14.093,1050 -1.377,1051 8.655,1052 9.245,1053 5.889,1054 17.26,1055 8.527,1056 12.423,1057 -1,1058 15.941,1059 -2,1060 9.912,1061 10.876,1062 6.893,1063 19.716,1064 9.75,1065 3.291,1066 -1,1067 17.804,1068 -2.347,1069 10.968,1070 11.748,1071 7.625,1072 22.066,1073 10.789,1074 2.832,1075 11.346,1076 19.678,1077 -2.445,1078 12.167,1079 13.269,1080 8.543,1081 24.489,1082 11.958,1083 2.252,1084 9.694,1085 21.559,1086 3.6,1087 13.291,1088 14.262,1089 9.342,1090 26.876,1091 13.061,1092 2.208,1093 6.369,1094 23.445,1095 3.183,1096 14.471,1097 15.712,1098 10.223,1099 29.291,1100 14.215,1101 1.648,1102 5.183,1103 25.336,1104 2.726,1105 15.626,1106 16.787,1107 11.051,1108 31.695,1109 15.346,1110 1.48,1111 3.762,1112 27.23,1113 2.591,1114 16.803,1115 18.188,1116 11.915,1117 34.11,1118 16.498,1119 1,1120 3.158,1121 29.127,1122 2.189,1123 17.972,1124 19.321,1125 12.755,1126 36.522,1127 17.643,1128 4806,1129 8308,1130 14.792,1131 28.199,1132 34.275,1133 34.537,1134 33.969,1135 33.471,1136 33.547,1137 39.892,1138 9.234,1139 92.976,1140 32.684,1141 5.326,1142 5.811,1143 6.63,1144 5.341,1145 5.291,1146 6.6,1147 3.925,1148 18.163,1149 5.175,1150 11.956,1151 1.49,1152 1.502,1153 1.477,1154 1.455,1155 1.459,1156 1.734,1157 0.401,1158 4.042,1159 1.421,1160 3.966,1161 3.996,1162 3.894,1163 3.848,1164 7.474,1165 3.853,1166 3.761,1167 3.805,1168 3.663,1169 3.646,1170 6.351,1171 3.641,1172 3.682,1173 3.717,1174 3.578,1175 3.499,1176 4.935,1177 3.51,1178 3.493,1179 3.542,1180 3.368,1181 3.325,1182 4.77,1183 3.322,1184 3.258,1185 3.301,1186 3.118,1187 3.071,1188 4.375,1189 3.078,1190 2.963,1191 3.014,1192 2.826,1193 2.794,1194 4.066,1195 2.791,1196 2.876,1197 3.009,1198 2.656,1199 2.618,1200 3.905,1201 2.589,1202 2.874,1203 2.94,1204 2.618,1205 2.576,1206 3.793,1207 2.57,1208 0.188,1209 0.166,1210 0.297,1211 0.186,1212 0.143,1213 4.326,1214 0.157,1215 3.811,1216 0.102,1217 6.828,1218 0.493,1219 4.269,1220 0.14,1221 3.291,1222 3.6,1223 2.341,1224 11.346,1225 3.216,1226 1.907,1227 1.877,1228 2.049,1229 2.053,1230 1.36,1231 2.05,1232 1.749,1233 1.706,1234 1.927,1235 1.894,1236 1.138,1237 1.906,1238 1.633,1239 1.593,1240 1.851,1241 1.842,1242 0.964,1243 1.844,1244 1.474,1245 1.419,1246 1.741,1247 1.675,1248 0.935,1249 1.695,1250 1.215,1251 1.171,1252 1.467,1253 1.45,1254 0.63,1255 1.452,1256 0.94,1257 0.888,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.934,1263 0.804,1264 1.215,1265 1.165,1266 0.397,1267 1.179,1268 0.803,1269 0.739,1270 1.149,1271 1.154,1272 0.278,1273 1.152,1274 3.85,1276 5.142,1278 6.619,1280 8.19,1282 9.818,1284 3.824,1289 8.629,1290 2.102,1292 11.832,1294 0.125,1296 -0.607,1300 26.675,1301 65.605,1302 152.869,1303 204.114,1304 219.624,1305 221.624,1306 221.624,1307 48.705,1308 6.389,1309 68.65,1310 68.65,1311 12,1312 12.045,1313 3.17,1314 2.585,1315 42.223,1316 73,1317 86,1318 0.277,1319 167.196,1320 300,1321 399.718,1322 4311,1324 16.002,1325 0.727,1326 0.594,1327 16.002,1328 13.066,1329 10.478,1330 0.456,1331 0.329,1332 7.453,1333 10.006,1334 7.215,1335 5.987,1336 10.478,1337 7.563,1338 9.761,1339 0.315,1340 0.191,1341 9.761,1342 5.935,1343 6.697,1344 0.191,1345 0.104,1346 6.697,1347 3.627,1348 5.305,1349 0.121,1350 0.057,1351 5.305,1352 2.503,1353 4.554,1354 0.08,1355 0.033,1356 4.554,1357 1.872,1358 0.433,1359 66.138,1360 0.26,1361 21.912,1362 0.763,1363 108,1364 343.001,1365 123.116,1366 317.47,1367 416.27,1368 296,1369 120,1370 288.598,1371 132.462,1372 286.441,1373 412.5,1374 268,1375 6.921} {0 CHEMBL17957,1 1.47,2 9.143,3 2.448,4 5.99,5 84.946,6 7.22,7 0.227,8 3.832,9 3.93,10 3.408,11 3.374,12 4.866,13 3.31,14 4.41,15 4.563,16 3.787,17 3.746,18 5.519,19 3.659,20 4.686,21 4.877,22 3.685,23 3.835,24 5.607,25 3.718,26 4.725,27 4.956,28 3.686,29 3.892,30 5.6,31 3.736,32 4.698,33 4.941,34 3.727,35 3.918,36 5.522,37 3.731,38 4.635,39 4.864,40 3.468,41 3.839,42 5.475,43 3.639,44 4.619,45 4.903,46 3.141,47 3.612,48 5.405,49 3.395,50 4.303,51 4.577,52 3.088,53 3.319,54 5.155,55 3.149,56 0.028,57 0.554,58 10.336,59 4.88,60 10.09,61 5.837,62 0.324,63 0.903,64 20.809,65 8.157,66 46.984,67 9.851,68 0.482,69 1.092,70 30.001,71 9.814,72 52.041,73 11.86,74 0.357,75 1.162,76 29.434,77 10.632,78 48.761,79 13.478,80 0.292,81 1.185,82 32.182,83 11.378,84 39.412,85 14.142,86 0.223,87 1.122,88 30.167,89 10.8,90 33.315,91 13.42,92 0.344,93 0.983,94 26.559,95 9.037,96 47.775,97 12.19,98 0.242,99 0.715,100 20.592,101 6.7,102 32.802,103 8.65,104 23,105 30,106 0.263,107 0.602,108 0.799,109 0.855,110 0.863,111 0.863,112 3.102,113 1.101,114 -3.6,115 -3.57,116 -3.4,118 37.2,119 2,120 3,121 1,124 1,126 1,130 1,133 2,140 2,149 1,150 1,154 1,163 1,167 1,168 6,169 1,171 1,172 7,175 1,177 1,180 7,181 1,186 5,191 1,194 5,195 1,198 4,203 1,206 7,207 1,210 5,215 1,218 10,219 1,222 4,227 1,229 7,230 1,234 3,239 1,242 5,248 2,255 5,258 2,262 2,267 3,268 2,270 642,271 13.69,272 13.69,273 13.69,274 13.69,275 13.69,276 12.626,277 15.179,278 8.315,279 13.971,280 10.887,281 10.887,282 10.887,283 10.887,284 10.887,285 9.373,286 17.411,287 3.996,288 11.377,289 3.956,290 2.055,291 0.954,292 0.64,293 0.593,294 0.593,295 3.758,298 1,299 1,300 1,301 394,302 3.536,305 54.211,306 75.184,313 1.388,314 22.304,315 1,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 46,326 192,327 4.329,328 3.811,329 6.829,330 4.265,331 3.292,332 3.626,333 2.341,334 11.346,335 3.206,336 4.005,337 3.597,338 6.358,339 3.799,340 2.838,341 3.186,342 1.465,343 9.697,344 2.724,345 3.563,346 3.158,347 5.246,348 3.246,349 2.258,350 2.725,351 0.811,352 6.393,353 2.224,354 3.458,355 2.391,356 4.659,357 3.172,358 2.213,359 2.567,361 5.183,362 2.083,363 3.068,364 2.006,365 4.244,366 2.598,367 1.616,368 2.119,370 3.734,371 1.581,372 2.652,373 1.852,374 3.682,375 2.342,376 1.404,377 1.672,379 3.141,380 1.302,381 2.118,382 1.42,383 3.438,384 1.82,385 0.868,386 0.976,388 2.018,389 0.816,390 2.048,391 1.036,392 3.111,393 1.697,394 0.767,395 0.927,397 1.727,398 0.701,399 1.945,400 0.77,401 3,402 1.462,403 0.618,404 0.871,406 1.372,407 0.506,408 1.41,409 0.618,410 2.828,411 1.15,412 0.21,413 0.235,415 0.494,416 0.194,417 0.769,418 0.475,419 2.739,420 0.653,421 -0.326,422 -0.34,424 -0.755,425 -0.315,426 0.481,427 0.123,428 2.249,429 0.268,430 -0.711,431 -0.749,433 -2,434 -0.691,435 0.365,436 -0.217,437 2.079,438 0.048,439 -1,440 -1,442 -2.263,443 -0.931,444 0.125,445 -0.642,446 2,448 -1,449 -1.064,451 -2.516,452 -1,454 -0.869,455 1.657,456 -0.057,457 -1,458 -1.31,460 -3,461 -1.04,462 10.167,463 0.484,464 0.608,465 0.029,466 19,467 0.905,468 6.5,469 0.31,470 12.5,471 0.595,472 22.136,473 1.054,474 24.633,475 0.573,476 11.766,477 0.56,478 3.501,479 0.167,480 6.477,481 0.308,482 0.164,483 0.049,484 0.197,487 0.82,488 1.198,489 0.817,490 1.084,491 0.78,492 1.065,493 0.818,494 1.133,495 0.897,496 1.073,497 0.451,498 1.039,499 1.521,500 1.017,501 1.205,502 1.038,503 1.075,504 1.073,505 1.003,506 0.936,507 0.913,508 0.888,509 0.728,510 0.977,511 0.641,512 0.99,513 1.046,514 1.075,515 0.471,516 0.977,517 0.669,518 1.27,519 1.349,520 1.385,521 0.551,522 1.263,523 0.834,524 0.899,525 0.834,526 0.84,527 0.802,528 0.974,529 0.923,530 0.86,531 0.869,532 0.861,533 0.945,534 0.83,535 5,536 0.137,537 2.222,538 1.153,539 1.124,540 0.629,541 0.333,542 0.178,543 0.163,544 0.14,545 4137,546 12566,547 1.957,548 51.2,549 4,550 7,551 1,553 1,554 2,556 7,558 1.631,559 1.813,560 3.127,561 -0.291,562 1,563 1,565 1,567 63.222,568 1.47,569 3.371,570 4.472,571 4.787,572 4.833,573 4.833,574 2.475,575 3.785,576 4.356,577 3.352,578 703.873,579 7.467,580 7728.15,582 1,584 1,585 233.329,586 1.582,587 4.3,588 0.227,589 0.014,590 0.074,591 0.044,592 0.043,593 0.024,594 0.016,595 0.013,596 0.012,597 0.011,598 0.478,599 0.33,600 1,601 1.92,602 95.891,603 -0.042,604 -0.019,605 0.06,606 0.024,607 -0.091,608 0.018,609 0.195,610 -0.056,611 0.072,612 -0.021,613 0.24,614 -0.02,615 -0.248,616 -0.021,617 -0.203,618 -0.057,619 -0.191,620 -0.119,621 -0.104,622 0.037,623 -0.009,624 0.056,625 -0.029,626 0.003,627 0.008,628 0.03,629 0.046,630 0.023,631 0.054,632 0.056,633 -0.038,634 -0.23,635 -0.245,636 -0.261,637 -0.02,638 -0.223,639 -0.054,640 -0.007,641 -0.013,642 0.005,643 -0.086,644 -0.022,645 -0.025,646 0.053,647 0.09,648 0.061,649 -0.055,650 0.128,651 2.429,652 3.471,653 0.524,654 18.272,655 1.002,656 1.124,657 2.37,658 5.616,659 0.647,660 3.135,661 3.434,662 3.555,663 3.784,664 3.951,665 3.97,666 3.932,667 3.892,668 3.738,669 3.638,670 5.691,671 0.601,672 310.45,673 3.135,674 4.654,675 5.451,676 6.319,677 7.149,678 8.025,679 8.873,680 9.753,681 10.612,682 11.495,699 3,703 1,704 1,706 5,724 43,726 7,728 22,730 44,731 16,733 4,739 2,740 2,745 2,748 2,749 1,751 5,753 7,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 4,774 1,775 5,776 1,784 1,785 4,801 1,802 1,818 1,822 2,830 1,831 2,832 2,834 1,836 2,840 21,845 1,846 4,848 2,850 2,852 1,856 1,862 9.3,864 1,865 1,866 2,869 11.583,870 7.95,871 4.639,872 2.564,874 1.131,875 1.181,876 0.884,877 5.822,878 7.389,879 3.314,880 3.744,881 4.014,882 4.42,883 4.534,884 4.736,885 4.914,886 5.035,887 4.973,888 5.007,889 0.833,890 26,891 7.799,893 3.227,894 7.837,895 14.985,897 12.16,899 2.337,900 49.083,901 0.001,904 247.193,905 108.946,908 89.828,910 31.278,911 77.669,912 337.021,914 17.65,915 12.196,916 45.554,917 90.738,919 13.13,920 266.7,922 247.193,923 77.669,924 89.828,925 31.278,927 164.795,928 150.226,929 22,931 29.846,932 28.87,933 18.952,934 31.278,935 247.193,936 89.828,937 108.946,940 247.193,941 45.742,942 63.204,944 89.828,945 247.193,946 89.828,947 108.946,949 0.575,950 0.294,951 0.152,952 0.086,953 13,954 6,955 0.136,956 6,958 1,959 3.328,960 148.291,962 11,963 90.239,964 1,968 16.5,969 7.41,970 5.114,972 89.828,973 6.185,977 1.699,978 1.218,980 42.683,981 445.968,982 26.5,987 10.471,989 3.971,991 -0.762,994 43.105,995 48.325,996 0.271,997 0.621,998 0.824,999 0.882,1000 0.891,1001 0.891,1002 4.557,1003 0.767,1004 5.468,1005 2.018,1006 4.111,1007 4.425,1008 2.719,1009 6.275,1010 4.027,1011 5.726,1012 0.618,1013 7.029,1014 1.727,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.823,1020 7.012,1021 0.21,1022 8.709,1023 1.372,1024 5.759,1025 6.333,1026 3.865,1027 10.44,1028 5.615,1029 8.327,1030 -0.326,1031 10.462,1032 0.494,1033 6.347,1034 6.826,1035 4.112,1036 12.441,1037 6.204,1038 9.673,1039 -0.711,1040 12.261,1041 -0.755,1042 7.745,1043 8.508,1044 5.308,1045 15.004,1046 7.551,1047 11.038,1048 -1,1049 14.091,1050 -2,1051 8.67,1052 9.368,1053 5.889,1054 17.261,1055 8.463,1056 12.418,1057 -1,1058 15.941,1059 -2.263,1060 9.911,1061 10.832,1062 6.893,1063 19.717,1064 9.669,1065 3.292,1066 -1,1067 17.805,1068 -2.516,1069 10.979,1070 11.884,1071 7.625,1072 22.067,1073 10.717,1074 2.838,1075 11.346,1076 19.679,1077 -3,1078 12.17,1079 13.246,1080 8.543,1081 24.49,1082 11.878,1083 2.258,1084 9.697,1085 21.56,1086 3.626,1087 13.299,1088 14.402,1089 9.342,1090 26.877,1091 12.985,1092 2.213,1093 6.393,1094 23.446,1095 3.186,1096 14.476,1097 15.717,1098 10.223,1099 29.292,1100 14.135,1101 1.616,1102 5.183,1103 25.337,1104 2.725,1105 15.633,1106 16.929,1107 11.051,1108 31.696,1109 15.268,1110 1.404,1111 3.734,1112 27.232,1113 2.567,1114 16.809,1115 18.222,1116 11.915,1117 34.111,1118 16.419,1119 0.868,1120 3.141,1121 29.129,1122 2.119,1123 17.979,1124 19.465,1125 12.755,1126 36.523,1127 17.564,1128 4269,1129 7505,1130 14.099,1131 27.841,1132 33.101,1133 32.846,1134 32.268,1135 32.012,1136 32.167,1137 37.81,1138 9.234,1139 90.213,1140 30.676,1141 5.329,1142 5.626,1143 6.599,1144 5.349,1145 5.292,1146 6.232,1147 3.925,1148 18.167,1149 5.167,1150 11.579,1151 1.505,1152 1.493,1153 1.467,1154 1.455,1155 1.462,1156 1.719,1157 0.42,1158 4.101,1159 1.394,1160 3.96,1161 3.976,1162 4.228,1163 3.944,1164 7.474,1165 3.88,1166 3.752,1167 3.782,1168 3.732,1169 3.677,1170 6.351,1171 3.652,1172 3.674,1173 3.703,1174 3.586,1175 3.507,1176 4.856,1177 3.511,1178 3.492,1179 3.539,1180 3.368,1181 3.325,1182 4.614,1183 3.321,1184 3.251,1185 3.294,1186 3.109,1187 3.062,1188 4.374,1189 3.067,1190 2.876,1191 3.009,1192 2.706,1193 2.631,1194 4.032,1195 2.636,1196 2.874,1197 2.941,1198 2.682,1199 2.618,1200 3.87,1201 2.588,1202 2.857,1203 2.906,1204 2.655,1205 2.575,1206 3.605,1207 2.57,1208 0.197,1209 0.173,1210 0.31,1211 0.194,1212 0.15,1213 4.329,1214 0.165,1215 3.811,1216 0.106,1217 6.829,1218 0.516,1219 4.265,1220 0.146,1221 3.292,1222 3.626,1223 2.341,1224 11.346,1225 3.206,1226 1.843,1227 1.813,1228 2.016,1229 2.006,1230 1.351,1231 2.008,1232 1.677,1233 1.64,1234 1.886,1235 1.862,1236 1.133,1237 1.87,1238 1.504,1239 1.454,1240 1.763,1241 1.687,1242 0.962,1243 1.713,1244 1.45,1245 1.408,1246 1.645,1247 1.583,1248 0.765,1249 1.605,1250 1.324,1251 1.32,1252 1.472,1253 1.459,1254 0.644,1255 1.48,1256 1.148,1257 1.112,1258 1.417,1259 1.292,1260 0.573,1261 1.351,1262 0.934,1263 0.804,1264 1.262,1265 1.239,1266 0.469,1267 1.308,1268 0.803,1269 0.739,1270 1.151,1271 1.156,1272 0.29,1273 1.155,1274 3.807,1276 5.106,1277 2.398,1278 6.575,1279 4.443,1280 8.138,1281 6.293,1282 9.762,1284 3.874,1289 8.614,1290 2.228,1292 11.842,1294 0.302,1296 -0.557,1300 25.841,1301 63.222,1302 144.965,1303 192.31,1304 205.82,1305 207.82,1306 207.82,1307 45.014,1308 6.258,1309 55.76,1310 84,1311 11,1312 12.034,1313 3,1314 2.459,1315 39.342,1316 68,1317 79,1318 0.278,1319 164.867,1320 292.85,1321 394.037,1322 3571,1324 15.295,1325 0.728,1326 0.632,1327 15.648,1328 13.267,1329 9.978,1330 0.454,1331 0.367,1332 7.182,1333 9.094,1334 6.863,1335 5.675,1336 10.432,1337 8.077,1338 9.407,1339 0.314,1340 0.221,1341 9.991,1342 6.644,1343 6.447,1344 0.19,1345 0.129,1346 7.113,1347 4.372,1348 5.128,1349 0.119,1350 0.075,1351 5.793,1352 3.208,1353 3.941,1354 0.077,1355 0.043,1356 4.379,1357 2.182,1358 0.434,1359 67.179,1360 0.266,1361 21.049,1362 0.761,1363 104,1364 324.217,1365 140.011,1366 319.184,1367 418.39,1368 298,1369 116,1370 274.885,1371 145.891,1372 285.765,1373 414,1374 268,1375 5.387} {0 CHEMBL180650,1 1.436,2 13.821,3 9.637,4 92.868,5 156.84,6 7.716,7 0.651,8 4.322,9 4.427,10 3.919,11 3.969,12 5.444,13 3.923,14 4.848,15 5.004,16 4.338,17 4.391,18 5.962,19 4.33,20 5.132,21 5.291,22 4.464,23 4.587,24 6.234,25 4.504,26 5.357,27 5.573,28 4.391,29 4.626,30 6.396,31 4.515,32 5.31,33 5.538,34 4.446,35 4.64,36 6.314,37 4.534,38 5.366,39 5.578,40 4.432,41 4.669,42 6.421,43 4.552,44 5.366,45 5.605,46 4.356,47 4.61,48 6.375,49 4.481,50 5.255,51 5.48,52 4.359,53 4.532,54 6.31,55 4.402,56 0.032,57 0.918,58 13.193,59 6.716,60 11.155,61 8.562,62 0.191,63 1.556,64 25.209,65 11.564,66 46.03,67 15.187,68 0.157,69 2.077,70 35.429,71 15.435,72 38.652,73 19.742,74 0.539,75 2.539,76 49.66,77 19.181,78 99.792,79 24.397,80 0.388,81 2.562,82 44.749,83 18.869,84 58.958,85 25.169,86 0.389,87 2.687,88 49.054,89 20.44,90 77.377,91 26.186,92 0.438,93 2.472,94 50.29,95 20.444,96 92.854,97 26.812,98 0.315,99 2.216,100 44.723,101 18.445,102 64.442,103 24.395,104 68,105 64,106 0.222,107 0.533,108 0.701,109 0.819,110 0.86,111 0.86,112 3.693,113 0.934,114 -8.2,115 -7.94,116 -7.31,118 48.6,119 4,120 1,122 1,124 1,140 14,141 8,142 2,150 2,154 1,163 1,167 1,168 26,169 1,172 6,175 1,177 1,180 35,181 3,186 9,191 3,194 33,198 5,199 1,206 32,207 1,209 1,210 2,213 1,215 1,218 38,219 2,222 5,227 2,229 40,230 3,234 4,239 3,242 34,243 4,247 5,252 4,255 32,256 3,259 4,264 3,267 28,268 2,270 3075,271 25.609,272 25.609,273 25.609,274 25.609,275 25.609,276 22.007,277 20.699,278 14.525,279 25.891,280 21.148,281 21.148,282 21.148,283 21.148,284 21.148,285 15.802,286 23.057,287 6.857,288 21.698,289 4.694,290 2.677,291 1.587,292 0.825,293 0.557,294 0.557,295 4.391,297 1,301 1164,302 4.183,305 94.582,306 505.878,309 171.262,313 2.151,314 37.184,317 0.5,318 0.67,319 0.67,320 0.6,321 0.5,322 0.67,323 1,324 0.66,325 82.333,326 539,327 4.775,328 3.994,329 7.253,330 4.415,331 3.429,332 4.733,333 2.341,334 12.371,335 3.386,336 4.473,337 3.454,338 6.984,339 4.227,340 3.241,341 4.171,342 0.522,343 11.64,344 3.187,345 4.398,346 3.268,347 6.638,348 4.092,349 3.105,350 3.736,352 10.567,353 3.064,354 4.141,355 2.964,356 6.164,357 3.778,358 2.784,359 3.613,361 9.134,362 2.767,363 4.008,364 2.844,365 5.717,366 3.578,367 2.609,368 3.534,370 7.612,371 2.53,372 3.754,373 2.672,374 5.629,375 3.32,376 2.348,377 3.246,379 7.133,380 2.279,381 3.514,382 2.642,383 5.526,384 3.097,385 2.175,386 2.862,388 6.819,389 2.033,390 3.456,391 2.536,392 5.328,393 3.046,394 2.062,395 2.801,397 6.532,398 1.971,399 3.284,400 2.16,401 4.873,402 2.829,403 1.887,404 2.58,406 5.572,407 1.703,408 2.95,409 2.058,410 4.493,411 2.517,412 1.538,413 2.135,415 4.295,416 1.5,417 2.868,418 1.817,419 4.359,420 2.414,421 1.426,422 2.019,424 3.721,425 1.414,426 2.854,427 1.502,428 4.226,429 2.41,430 1.414,431 1.998,433 3.262,434 1.379,435 2.758,436 1.455,437 3.814,438 2.328,439 1.33,440 1.708,442 3.058,443 1.307,444 2.552,445 1.115,446 3.793,447 2.063,448 1.066,449 1.576,451 2.684,452 1.062,453 2.5,454 1.027,455 3.581,456 2,457 1,458 1.5,460 2.55,461 1,462 19.067,463 0.489,464 1.297,465 0.033,466 50.75,467 1.301,468 27.5,469 0.705,470 23.25,471 0.596,472 41.117,473 1.054,474 40.333,475 0.576,476 44.028,477 1.129,478 9.906,479 0.254,480 8.641,481 0.222,482 0.192,483 0.026,484 0.362,486 1,487 0.614,488 0.958,489 0.678,490 0.897,491 0.636,492 0.877,493 0.504,494 0.912,495 0.639,496 0.821,497 0.433,498 0.806,499 0.863,500 1.191,501 1.001,502 1.163,503 0.792,504 1.135,505 1.25,506 0.993,507 1,508 0.942,509 1.248,510 1.003,511 0.708,512 1,513 0.701,514 0.884,515 0.68,516 0.901,517 1.035,518 1.173,519 0.972,520 1.131,521 1.093,522 1.123,523 0.937,524 0.869,525 0.792,526 0.886,527 1.016,528 0.927,529 0.75,530 0.965,531 0.842,532 1.026,533 0.82,534 1.026,535 9.5,536 0.391,537 6,538 3.486,539 2.706,540 2.164,541 1.492,542 0.954,543 0.743,544 0.475,545 23556,546 63564,547 2.043,548 44.3,549 12,550 16,553 1,554 2,558 1.797,559 1.865,560 3.692,561 -0.485,567 100.496,568 1.436,569 3.453,570 4.542,571 5.304,572 5.572,573 5.572,574 3.231,575 4.907,576 5.252,577 3.906,578 2894.12,579 9.284,580 48127.6,585 429.05,586 1.662,587 5.187,588 0.221,589 0.009,590 0.094,591 0.051,592 0.043,593 0.031,594 0.023,595 0.016,596 0.013,597 0.01,598 0.51,599 0.5,600 0.63,601 1.011,602 216.84,603 -0.025,604 0.005,605 0.02,606 0.043,607 -0.073,608 0.043,609 0.12,610 0.054,611 0.135,612 0.129,613 0.144,614 0.143,615 -0.051,616 -0.186,617 -0.141,618 -0.207,619 -0.018,620 -0.194,621 -0.164,622 -0.01,623 -0.125,624 0.007,625 -0.15,626 -0.049,627 0.061,628 0.059,629 0.077,630 0.072,631 0.057,632 0.08,633 -0.043,634 -0.067,635 -0.115,636 -0.152,637 -0.063,638 -0.145,639 -0.049,640 0.041,641 0.051,642 0.084,643 -0.059,644 0.068,645 0.067,646 -0.075,647 0.073,648 -0.046,649 0.029,650 -0.028,651 2.505,652 7.326,653 0.692,654 49.74,655 0.996,656 1.112,657 6.967,658 48.545,659 0.698,660 3.784,661 4.174,662 4.466,663 4.727,664 5.03,665 5.153,666 5.38,667 5.58,668 5.717,669 5.881,670 8.075,671 0.658,672 540.11,673 3.784,674 5.371,675 6.244,676 7.151,677 8.047,678 8.958,679 9.864,680 10.779,681 11.692,682 12.61,683 1.4,691 1,698 2,699 14,704 10,705 1,706 28,723 2,724 70,726 29,727 4,728 43,730 74,731 34,733 26,734 10,735 14,739 5,740 6,741 1,745 4,746 1,751 1,753 27,754 7,756 1,761 1,765 1,770 1,772 31,773 3,774 1,775 5,776 1,779 1,784 0.8,785 2,797 1,801 1,802 4,805 1,818 1,830 1,832 4,836 4,837 1,838 1,840 39,845 1,846 2,852 1,861 2,862 2.9,864 1,865 1,869 20.917,870 14.019,871 8.292,872 4.183,874 4.984,875 1.573,876 0.986,877 7.306,878 13.685,879 4.078,880 4.76,881 5.385,882 6.004,883 6.618,884 6.987,885 7.537,886 8.063,887 8.496,888 8.979,889 1,890 69,891 14.507,893 6.336,894 7.783,895 27.665,897 23.354,899 2.283,900 89.028,904 353.133,905 215.913,906 1.899,907 39.149,908 67.828,909 14.96,911 215.913,912 460.11,913 16.859,914 35.301,915 4.64,916 132.667,917 68.738,918 39.393,919 19.861,920 353.133,921 39.149,922 353.133,923 217.812,924 82.788,925 39.149,927 368.093,928 67.828,931 41.84,932 175.972,933 39.149,935 368.093,936 69.727,937 255.062,940 353.133,941 47.945,942 169.867,944 121.937,945 353.133,946 84.687,947 255.062,949 0.603,950 0.356,951 0.176,952 0.104,953 32,954 16,955 0.095,956 7,957 1,958 1.074,959 4.658,960 404.748,961 0.074,962 27,963 198.131,968 27.025,969 10.543,970 5.333,971 2.042,972 82.788,973 27.045,978 7.7,979 2.199,980 42.683,981 692.882,982 58,987 12.022,991 -0.838,994 69.73,995 77.844,996 0.234,997 0.563,998 0.741,999 0.865,1000 0.909,1001 0.909,1002 5.347,1003 2.062,1004 6.286,1005 6.819,1006 4.86,1007 5.449,1008 2.313,1009 7.174,1010 4.814,1011 6.609,1012 1.887,1013 7.907,1014 6.532,1015 4.691,1016 5.421,1017 2.243,1018 8.352,1019 4.61,1020 7.957,1021 1.538,1022 9.633,1023 5.572,1024 6.569,1025 7.738,1026 3.632,1027 11.423,1028 6.494,1029 9.341,1030 1.426,1031 11.422,1032 4.295,1033 7.186,1034 8.494,1035 4.112,1036 13.4,1037 7.088,1038 10.755,1039 1.414,1040 13.25,1041 3.721,1042 8.605,1043 10.333,1044 5.202,1045 16.053,1046 8.506,1047 12.191,1048 1.33,1049 15.106,1050 3.262,1051 9.553,1052 11.467,1053 5.889,1054 18.337,1055 9.438,1056 13.645,1057 1.066,1058 16.982,1059 3.058,1060 10.815,1061 13.113,1062 6.849,1063 20.865,1064 10.694,1065 3.429,1066 1,1067 18.873,1068 2.684,1069 11.904,1070 14.443,1071 7.625,1072 23.269,1073 11.769,1074 3.241,1075 12.371,1076 20.777,1077 2.55,1078 13.114,1079 16.01,1080 8.526,1081 25.761,1082 12.97,1083 3.105,1084 11.64,1085 22.691,1086 4.733,1087 14.264,1088 17.441,1089 9.342,1090 28.213,1091 14.106,1092 2.784,1093 10.567,1094 24.613,1095 4.171,1096 15.461,1097 18.98,1098 10.216,1099 30.698,1100 15.292,1101 2.609,1102 9.134,1103 26.541,1104 3.736,1105 16.638,1106 20.464,1107 11.051,1108 33.17,1109 16.456,1110 2.348,1111 7.612,1112 28.475,1113 3.613,1114 17.835,1115 21.997,1116 11.912,1117 35.657,1118 17.64,1119 2.175,1120 7.133,1121 30.414,1122 3.534,1123 19.026,1124 23.509,1125 12.755,1126 38.14,1127 18.818,1128 22387,1129 36902,1130 27.857,1131 48.892,1132 66.808,1133 68.155,1134 69.148,1135 66.131,1136 65.867,1137 88.363,1138 5.725,1139 201.421,1140 64.118,1141 5.625,1142 5.994,1143 6.938,1144 5.428,1145 5.429,1146 7.733,1147 3.925,1148 19.787,1149 5.386,1150 24.16,1151 1.554,1152 1.585,1153 1.608,1154 1.538,1155 1.532,1156 2.055,1157 0.133,1158 4.684,1159 1.491,1160 4.193,1161 4.222,1162 4.163,1163 4.122,1164 8.201,1165 4.127,1166 4,1167 4.023,1168 3.979,1169 3.948,1170 7.474,1171 3.947,1172 3.889,1173 3.912,1174 3.953,1175 3.847,1176 6.351,1177 3.836,1178 3.799,1179 3.829,1180 3.733,1181 3.725,1182 4.967,1183 3.72,1184 3.725,1185 3.757,1186 3.647,1187 3.615,1188 4.889,1189 3.614,1190 3.414,1191 3.457,1192 3.417,1193 3.312,1194 4.766,1195 3.31,1196 3.237,1197 3.311,1198 3.289,1199 3.099,1200 4.541,1201 3.086,1202 3.17,1203 3.257,1204 2.988,1205 3.025,1206 4.324,1207 3,1208 0.111,1209 0.093,1210 0.169,1211 0.103,1212 0.08,1213 4.775,1214 0.11,1215 3.994,1216 0.054,1217 7.253,1218 0.288,1219 4.415,1220 0.079,1221 3.429,1222 4.733,1223 2.341,1224 12.371,1225 3.386,1226 2.04,1227 2.023,1228 2.116,1229 2.102,1230 1.292,1231 2.107,1232 1.945,1233 1.92,1234 2.044,1235 2.037,1236 1.278,1237 2.043,1238 1.905,1239 1.881,1240 2.019,1241 1.978,1242 1.196,1243 1.994,1244 1.802,1245 1.767,1246 1.964,1247 1.926,1248 1.127,1249 1.941,1250 1.713,1251 1.686,1252 1.832,1253 1.804,1254 0.951,1255 1.814,1256 1.528,1257 1.48,1258 1.728,1259 1.704,1260 0.877,1261 1.714,1262 1.232,1263 1.178,1264 1.552,1265 1.418,1266 0.635,1267 1.469,1268 1.207,1269 1.127,1270 1.48,1271 1.413,1272 0.602,1273 1.445,1274 4.466,1276 5.838,1277 2.398,1278 7.399,1279 4.949,1280 9.043,1281 7.209,1282 10.728,1284 7.531,1285 6.107,1286 15.326,1289 9.861,1290 0.969,1296 -0.936,1300 46.091,1301 100.496,1302 241.689,1303 317.972,1304 371.275,1305 390.03,1306 390.03,1307 87.352,1308 8.7,1309 42.23,1310 42.23,1311 29,1312 13.121,1313 4.907,1314 4,1315 61.322,1316 187,1317 196,1318 0.159,1319 283.277,1320 493.36,1321 682.957,1322 76880,1323 2.9,1324 27.897,1325 0.715,1326 0.598,1327 27.526,1328 23.312,1329 18.547,1330 0.431,1331 0.311,1332 12.955,1333 17.899,1334 12.381,1335 10.322,1336 18.425,1337 13.383,1338 17.937,1339 0.28,1340 0.177,1341 17.805,1342 11.328,1343 15.183,1344 0.177,1345 0.092,1346 15.067,1347 7.882,1348 11.838,1349 0.106,1350 0.048,1351 11.588,1352 5.344,1353 10.436,1354 0.069,1355 0.027,1356 10.268,1357 4.113,1358 0.249,1359 117.013,1360 0.189,1361 34.944,1362 0.438,1363 214,1364 585.845,1365 240.526,1366 587.797,1367 793.14,1368 546,1369 257,1370 561.384,1371 277.901,1372 585.257,1373 856.61,1374 549,1375 6.011} {0 CHEMBL182032,1 1.449,2 13.737,3 9.151,4 83.733,5 151.798,6 7.852,7 0.667,8 4.283,9 4.385,10 3.895,11 3.935,12 5.417,13 3.892,14 4.803,15 4.952,16 4.311,17 4.356,18 5.938,19 4.297,20 5.097,21 5.259,22 4.425,23 4.542,24 6.204,25 4.459,26 5.302,27 5.518,28 4.344,29 4.563,30 6.357,31 4.456,32 5.238,33 5.463,34 4.395,35 4.578,36 6.248,37 4.477,38 5.292,39 5.496,40 4.408,41 4.625,42 6.345,43 4.513,44 5.326,45 5.559,46 4.34,47 4.583,48 6.355,49 4.458,50 5.24,51 5.467,52 4.332,53 4.506,54 6.297,55 4.374,56 0.026,57 0.875,58 12.224,59 6.329,60 11.164,61 7.987,62 0.174,63 1.483,64 23.272,65 10.868,66 45.548,67 14.134,68 0.148,69 1.997,70 33.885,71 14.764,72 39.841,73 18.754,74 0.536,75 2.408,76 47.113,77 18.063,78 102.724,79 22.675,80 0.395,81 2.396,82 41.369,83 17.406,84 59.941,85 23.009,86 0.292,87 2.435,88 44.275,89 18.862,90 62.434,91 24.348,92 0.421,93 2.387,94 47.748,95 19.59,96 92.608,97 25.443,98 0.308,99 2.183,100 44.005,101 18.177,102 66.052,103 23.986,104 53,105 62,106 0.225,107 0.532,108 0.689,109 0.817,110 0.846,111 0.846,112 3.668,113 0.926,114 -8.02,115 -7.77,116 -7.16,118 49.3,119 3,120 1,122 1,124 1,140 15,141 7,142 2,150 2,154 1,163 1,167 1,168 25,169 1,172 6,175 1,177 1,180 33,181 3,186 9,191 3,194 30,198 5,199 1,206 30,207 1,209 1,210 2,213 1,215 1,218 36,219 2,222 5,227 2,229 39,230 3,234 4,239 3,242 33,243 4,247 5,252 4,255 30,256 3,259 4,264 3,267 26,268 2,270 2896,271 25.109,272 25.109,273 25.109,274 25.109,275 25.109,276 21.56,277 18.274,278 14.366,279 25.391,280 20.681,281 20.681,282 20.681,283 20.681,284 20.681,285 15.413,286 21.586,287 6.81,288 21.231,289 4.617,290 2.646,291 1.642,292 0.815,293 0.631,294 0.631,295 4.368,297 1,301 1131,302 4.123,305 91.647,306 492.624,309 166.349,313 2.133,314 36.692,317 0.5,318 0.67,319 0.67,320 0.6,321 0.5,322 0.67,323 1,324 0.66,325 80.333,326 522,327 4.775,328 3.994,329 7.253,330 4.415,331 3.429,332 4.733,333 2.341,334 12.371,335 3.386,336 4.424,337 3.454,338 6.984,339 4.226,340 3.241,341 4.102,342 0.522,343 11.64,344 3.186,345 4.387,346 3.223,347 6.478,348 4.024,349 3.041,350 3.655,352 10.056,353 2.988,354 4.082,355 2.963,356 6.134,357 3.724,358 2.732,359 3.6,361 9.026,362 2.711,363 4.001,364 2.779,365 5.704,366 3.574,367 2.604,368 3.514,370 7.586,371 2.527,372 3.628,373 2.642,374 5.626,375 3.168,376 2.207,377 3.111,379 7.059,380 2.135,381 3.512,382 2.567,383 5.33,384 3.095,385 2.154,386 2.862,388 6.55,389 2.002,390 3.428,391 2.389,392 5.083,393 2.997,394 2.022,395 2.775,397 5.85,398 1.944,399 3.282,400 2.159,401 4.873,402 2.827,403 1.884,404 2.578,406 5.567,407 1.702,408 2.948,409 2.058,410 4.387,411 2.497,412 1.512,413 2.135,415 3.942,416 1.486,417 2.866,418 1.671,419 4.308,420 2.41,421 1.426,422 2.012,424 3.502,425 1.38,426 2.759,427 1.458,428 4.024,429 2.329,430 1.33,431 1.709,433 3.262,434 1.307,435 2.559,436 1.12,437 3.793,438 2.07,439 1.072,440 1.585,442 2.62,443 1.069,444 2.5,445 1.029,446 3.501,447 2,448 1,449 1.5,451 2.539,452 1,453 2.5,454 1,455 3.414,456 2,457 1,458 1.5,460 2.275,461 1,462 18.567,463 0.489,464 1.208,465 0.032,466 50.25,467 1.322,468 27.5,469 0.724,470 22.75,471 0.599,472 38.314,473 1.008,474 39.033,475 0.583,476 43.042,477 1.133,478 9.849,479 0.259,480 8.287,481 0.218,482 0.171,483 0.027,484 0.345,486 1,487 0.614,488 0.944,489 0.663,490 0.88,491 0.631,492 0.86,493 0.509,494 0.933,495 0.654,496 0.845,497 0.44,498 0.832,499 0.86,500 1.183,501 0.996,502 1.157,503 0.79,504 1.131,505 1.273,506 0.979,507 0.998,508 0.921,509 1.262,510 0.985,511 0.745,512 0.958,513 0.702,514 0.849,515 0.72,516 0.878,517 0.857,518 1.13,519 0.935,520 1.147,521 0.899,522 1.131,523 0.943,524 0.881,525 0.807,526 0.906,527 1.022,528 0.952,529 0.735,530 0.961,531 0.841,532 1.032,533 0.808,534 1.036,535 9,536 0.362,537 5.556,538 3.174,539 2.355,540 2.136,541 1.452,542 0.892,543 0.718,544 0.465,545 22121,546 61171,547 2.059,548 43.3,549 9,550 17,553 1,554 2,558 1.791,559 1.892,560 3.684,561 -0.479,567 97.082,568 1.449,569 3.42,570 4.424,571 5.251,572 5.435,573 5.435,574 3.224,575 4.702,576 5.213,577 3.884,578 2730.2,579 9.209,580 44481,585 406.428,586 1.636,587 5.156,588 0.214,589 0.008,590 0.09,591 0.048,592 0.039,593 0.032,594 0.023,595 0.015,596 0.013,597 0.01,598 0.493,599 0.5,600 0.63,601 1.002,602 209.543,603 -0.027,604 0.005,605 0.018,606 0.044,607 -0.072,608 0.044,609 0.113,610 0.025,611 0.106,612 0.092,613 0.137,614 0.102,615 -0.051,616 -0.188,617 -0.138,618 -0.209,619 -0.018,620 -0.194,621 -0.171,622 0.005,623 -0.117,624 0.03,625 -0.147,626 -0.029,627 0.044,628 0.111,629 0.074,630 0.105,631 0.037,632 0.101,633 -0.009,634 -0.108,635 -0.097,636 -0.175,637 -0.025,638 -0.152,639 -0.057,640 0.027,641 0.031,642 0.065,643 -0.068,644 0.045,645 0.068,646 -0.081,647 0.075,648 -0.05,649 0.026,650 -0.031,651 2.505,652 7.146,653 0.711,654 48,655 0.998,656 1.111,657 6.787,658 46.069,659 0.703,660 3.761,661 4.143,662 4.431,663 4.691,664 4.997,665 5.13,666 5.357,667 5.549,668 5.69,669 5.858,670 7.926,671 0.665,672 526.08,673 3.761,674 5.342,675 6.213,676 7.116,677 8.009,678 8.918,679 9.822,680 10.736,681 11.647,682 12.564,683 1.5,691 1,698 2,699 15,704 9,705 1,706 28,723 2,724 67,726 29,727 4,728 42,730 71,731 33,733 26,734 9,735 15,739 5,740 6,741 1,745 3,746 1,751 1,753 27,754 6,756 1,761 1,765 1,770 1,772 29,773 3,774 1,775 5,776 1,779 1,784 0.8,785 2,797 1,801 1,802 4,805 1,818 1,830 1,832 4,836 3,837 1,838 1,840 38,845 1,846 2,852 1,861 2,862 3,864 1,865 1,869 20.083,870 13.102,871 8.097,872 3.981,874 4.903,875 1.569,876 0.989,877 7.068,878 13.516,879 4.06,880 4.734,881 5.357,882 5.976,883 6.592,884 6.963,885 7.519,886 8.039,887 8.475,888 8.959,889 1,890 66,891 14.128,893 6.183,894 7.799,895 26.891,897 22.706,899 2.299,900 87.361,904 329.591,905 213.378,906 1.899,907 39.149,908 67.828,909 14.96,911 213.378,912 436.568,913 16.859,914 26.476,915 4.64,916 142.144,917 68.738,918 36.207,919 19.861,920 329.591,921 39.149,922 329.591,923 215.277,924 82.788,925 39.149,927 344.551,928 67.828,931 33.015,932 182.263,933 39.149,935 344.551,936 69.727,937 252.527,940 329.591,941 44.759,942 170.518,944 121.937,945 329.591,946 84.687,947 252.527,949 0.6,950 0.352,951 0.174,952 0.103,953 31,954 15,955 0.099,956 7,957 1,958 1.074,959 4.624,960 389.595,961 0.074,962 27,963 185.421,968 26.065,969 10.305,970 5.243,971 2.041,972 82.788,973 28.699,978 6.597,979 2.196,980 42.683,981 666.805,982 57,987 12.001,991 -0.838,994 66.847,995 74.429,996 0.239,997 0.564,998 0.729,999 0.866,1000 0.896,1001 0.896,1002 5.323,1003 2.022,1004 6.248,1005 6.55,1006 4.828,1007 5.423,1008 2.313,1009 7.128,1010 4.781,1011 6.579,1012 1.884,1013 7.862,1014 5.85,1015 4.635,1016 5.359,1017 2.243,1018 8.299,1019 4.549,1020 7.922,1021 1.512,1022 9.584,1023 5.567,1024 6.529,1025 7.702,1026 3.632,1027 11.367,1028 6.45,1029 9.301,1030 1.426,1031 11.369,1032 3.942,1033 7.132,1034 8.433,1035 4.112,1036 13.345,1037 7.028,1038 10.712,1039 1.33,1040 13.195,1041 3.502,1042 8.559,1043 10.288,1044 5.202,1045 15.995,1046 8.455,1047 12.144,1048 1.072,1049 15.05,1050 3.262,1051 9.5,1052 11.409,1053 5.889,1054 18.282,1055 9.378,1056 13.595,1057 1,1058 16.925,1059 2.62,1060 10.766,1061 13.064,1062 6.849,1063 20.809,1064 10.638,1065 3.429,1066 1,1067 18.817,1068 2.539,1069 11.852,1070 14.388,1071 7.625,1072 23.217,1073 11.71,1074 3.241,1075 12.371,1076 20.721,1077 2.275,1078 13.065,1079 15.961,1080 8.526,1081 25.71,1082 12.913,1083 3.041,1084 11.64,1085 22.635,1086 4.733,1087 14.214,1088 17.391,1089 9.342,1090 28.166,1091 14.048,1092 2.732,1093 10.056,1094 24.558,1095 4.102,1096 15.413,1097 18.935,1098 10.216,1099 30.653,1100 15.236,1101 2.604,1102 9.026,1103 26.487,1104 3.655,1105 16.591,1106 20.42,1107 11.051,1108 33.13,1109 16.4,1110 2.207,1111 7.586,1112 28.422,1113 3.6,1114 17.789,1115 21.956,1116 11.912,1117 35.619,1118 17.586,1119 2.154,1120 7.059,1121 30.362,1122 3.514,1123 18.981,1124 23.471,1125 12.755,1126 38.105,1127 18.765,1128 20949,1129 34957,1130 27.452,1131 47.131,1132 65.149,1133 66.447,1134 66.671,1135 64.451,1136 64.216,1137 86.518,1138 5.725,1139 194.629,1140 62.469,1141 5.625,1142 5.994,1143 7.055,1144 5.428,1145 5.429,1146 7.733,1147 3.925,1148 19.787,1149 5.386,1150 22.106,1151 1.551,1152 1.582,1153 1.587,1154 1.535,1155 1.529,1156 2.06,1157 0.136,1158 4.634,1159 1.487,1160 4.192,1161 4.221,1162 4.162,1163 4.12,1164 8.201,1165 4.125,1166 3.987,1167 4.011,1168 3.978,1169 3.933,1170 7.474,1171 3.932,1172 3.888,1173 3.911,1174 3.94,1175 3.845,1176 6.351,1177 3.835,1178 3.79,1179 3.822,1180 3.718,1181 3.712,1182 4.967,1183 3.707,1184 3.718,1185 3.751,1186 3.642,1187 3.612,1188 4.89,1189 3.611,1190 3.414,1191 3.457,1192 3.417,1193 3.312,1194 4.776,1195 3.309,1196 3.237,1197 3.311,1198 3.288,1199 3.099,1200 4.542,1201 3.086,1202 3.043,1203 3.048,1204 2.986,1205 2.897,1206 4.324,1207 2.885,1208 0.114,1209 0.095,1210 0.173,1211 0.105,1212 0.082,1213 4.775,1214 0.113,1215 3.994,1216 0.056,1217 7.253,1218 0.295,1219 4.415,1220 0.081,1221 3.429,1222 4.733,1223 2.341,1224 12.371,1225 3.386,1226 2.036,1227 2.018,1228 2.111,1229 2.099,1230 1.292,1231 2.103,1232 1.937,1233 1.911,1234 2.038,1235 2.032,1236 1.271,1237 2.038,1238 1.898,1239 1.875,1240 2.012,1241 1.97,1242 1.17,1243 1.985,1244 1.801,1245 1.767,1246 1.962,1247 1.925,1248 1.111,1249 1.94,1250 1.704,1251 1.676,1252 1.824,1253 1.794,1254 0.927,1255 1.805,1256 1.528,1257 1.48,1258 1.728,1259 1.704,1260 0.875,1261 1.714,1262 1.232,1263 1.178,1264 1.48,1265 1.413,1266 0.633,1267 1.445,1268 0.979,1269 0.944,1270 1.417,1271 1.276,1272 0.501,1273 1.308,1274 4.443,1276 5.808,1277 2.398,1278 7.365,1279 4.949,1280 9.002,1281 7.209,1282 10.681,1284 5.542,1285 6.1,1286 15.146,1289 9.844,1290 0.971,1296 -0.934,1300 44.564,1301 97.082,1302 229.116,1303 296.441,1304 351.799,1305 364.163,1306 364.163,1307 82.978,1308 8.613,1309 42.23,1310 42.23,1311 29,1312 13.076,1313 4.907,1314 4,1315 58.918,1316 178,1317 202,1318 0.16,1319 273.685,1320 476.06,1321 659.551,1322 68817,1323 3,1324 27.026,1325 0.711,1326 0.589,1327 26.656,1328 22.389,1329 18.136,1330 0.432,1331 0.309,1332 12.538,1333 17.488,1334 12.034,1335 10.011,1336 18.014,1337 12.966,1338 17.409,1339 0.281,1340 0.175,1341 17.278,1342 10.879,1343 14.71,1344 0.177,1345 0.091,1346 14.6,1347 7.532,1348 11.484,1349 0.106,1350 0.047,1351 11.192,1352 5.102,1353 10.112,1354 0.069,1355 0.027,1356 10.027,1357 3.96,1358 0.25,1359 114.549,1360 0.191,1361 34.246,1362 0.442,1363 208,1364 577.845,1365 234.526,1366 579.192,1367 780.09,1368 538,1369 249,1370 550.384,1371 269.901,1372 572.936,1373 838.23,1374 538,1375 5.854} {0 CHEMBL18324,1 1.548,2 9.591,3 0.715,4 0.512,5 82.809,6 6.964,7 0.261,8 3.863,9 3.975,10 3.351,11 3.31,12 4.959,13 3.297,14 4.434,15 4.604,16 3.707,17 3.67,18 5.585,19 3.638,20 4.708,21 4.899,22 3.67,23 3.833,24 5.676,25 3.759,26 4.792,27 5.039,28 3.607,29 3.861,30 5.699,31 3.741,32 4.719,33 4.974,34 3.615,35 3.842,36 5.596,37 3.721,38 4.721,39 4.974,40 3.53,41 3.779,42 5.657,43 3.651,44 4.676,45 4.97,46 3.263,47 3.618,48 5.542,49 3.467,50 4.345,51 4.595,52 3.097,53 3.358,54 5.272,55 3.232,56 0.053,57 0.594,58 9.925,59 4.186,60 12.519,61 5.551,62 0.417,63 0.904,64 19.221,65 6.68,66 53.235,67 9.148,68 0.512,69 1.078,70 26.208,71 8.55,72 58.739,73 11.647,74 0.587,75 1.147,76 28.929,77 9.258,78 63.12,79 13.416,80 0.295,81 1.138,82 26.067,83 8.925,84 44.865,85 13.293,86 0.477,87 1.122,88 26.616,89 8.022,90 52.498,91 12.369,92 0.499,93 0.979,94 26.375,95 7.171,96 61.747,97 11.373,98 0.29,99 0.704,100 18.398,101 5.77,102 37.731,103 8.453,104 23,105 31,106 0.274,107 0.603,108 0.786,109 0.832,110 0.84,111 0.84,112 3.146,113 0.967,114 -2.77,115 -2.78,116 -2.7,118 36.4,119 2,120 3,121 1,124 1,126 1,130 1,133 2,141 1,143 2,146 1,154 1,163 1,167 1,168 5,169 1,171 2,172 10,175 1,177 1,180 6,181 1,186 3,191 1,194 4,195 1,197 2,198 6,203 1,206 7,207 1,210 5,215 1,218 4,219 1,221 2,222 9,227 1,229 3,230 1,234 5,239 1,242 3,247 2,248 2,255 2,256 1,258 2,259 3,262 2,264 1,267 2,270 732,271 14.397,272 14.397,273 14.397,274 14.397,275 14.397,276 13.204,277 15.179,278 8.815,279 14.608,280 11.387,281 11.387,282 11.387,283 11.387,284 11.387,285 9.706,286 17.411,287 4.246,288 11.741,289 3.912,290 2.054,291 1.023,292 0.762,293 0.716,294 0.716,295 3.806,299 1,300 1,301 431,302 3.536,306 146.232,313 1.446,314 25.981,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 49,326 211,327 4.326,328 3.811,329 6.828,330 4.269,331 3.291,332 3.6,333 2.341,334 11.346,335 3.215,336 3.993,337 3.597,338 6.357,339 3.819,340 2.832,341 3.183,342 1.465,343 9.694,344 2.792,345 3.563,346 3.154,347 5.238,348 3.25,349 2.252,350 2.726,351 0.811,352 6.369,353 2.23,354 3.46,355 2.384,356 4.659,357 3.192,358 2.208,359 2.591,361 5.183,362 2.163,363 3.093,364 2.006,365 4.237,366 2.613,367 1.648,368 2.189,370 3.762,371 1.591,372 2.83,373 1.865,374 3.686,375 2.425,376 1.48,377 1.886,379 3.158,380 1.384,381 2.5,382 1.445,383 3.558,384 1.917,385 1,386 1.5,388 2.523,389 0.916,390 2.173,391 1.243,392 3.247,393 1.904,394 1,395 1.139,397 2.136,398 0.896,399 1.946,400 1,401 3.192,402 1.816,403 0.835,404 0.879,406 1.788,407 0.812,408 1.427,409 0.787,410 2.867,411 1.172,412 0.227,413 0.254,415 0.531,416 0.211,417 0.785,418 0.482,419 2.768,420 0.655,421 -0.326,422 -0.34,424 -0.751,425 -0.315,426 0.727,427 0.123,428 2.267,429 0.419,430 -0.53,431 -0.6,433 -1.377,434 -0.499,435 0.5,436 -0.089,437 2.159,438 0.05,439 -1,440 -1,442 -2,443 -0.927,444 0.477,445 -0.619,446 2,448 -1,449 -1.06,451 -2.347,452 -0.946,453 0.187,454 -0.744,455 1.69,456 -0.036,457 -1,458 -1.207,460 -2.445,461 -0.965,462 10.133,463 0.461,464 0.608,465 0.028,466 22.5,467 1.023,468 8.5,469 0.386,470 14,471 0.636,472 20.864,473 0.948,474 25.867,475 0.588,476 15.434,477 0.702,478 4.389,479 0.199,480 6.089,481 0.277,482 0.164,483 0.049,484 0.197,487 0.836,488 1.505,489 0.852,490 1.352,491 0.77,492 1.142,493 0.858,494 1.108,495 0.895,496 1.131,497 0.493,498 1.033,499 1.446,500 1.097,501 1.224,502 1.098,503 1.051,504 1.127,505 0.955,506 0.879,507 1.01,508 0.934,509 0.725,510 0.983,511 0.605,512 1.135,513 0.833,514 1.091,515 0.481,516 1.024,517 0.779,518 1.125,519 1.046,520 1.086,521 0.628,522 1.111,523 0.928,524 0.765,525 0.997,526 0.794,527 0.85,528 0.873,529 0.994,530 1.08,531 1.032,532 1.115,533 0.999,534 1.091,535 5,536 0.144,537 2.222,538 1.313,539 1.156,540 0.646,541 0.364,542 0.236,543 0.164,544 0.141,545 4667,546 14536,547 1.959,548 50,549 4,550 5,552 3,553 1,554 2,556 7,558 1.646,559 1.821,560 3.198,561 -0.265,563 1,565 1,567 68.107,568 1.548,569 3.406,570 4.436,571 4.698,572 4.743,573 4.743,574 2.681,575 3.698,576 4.423,577 3.406,578 786.676,579 7.607,580 8893.08,582 1,585 240.215,586 1.546,587 4.371,588 0.217,589 0.013,590 0.072,591 0.045,592 0.043,593 0.023,594 0.015,595 0.013,596 0.011,597 0.01,598 0.463,599 0.33,600 1,601 1.866,602 102.1,603 -0.052,604 -0.21,605 0.038,606 -0.111,607 -0.074,608 -0.032,609 0.159,610 0.02,611 0.065,612 -0.048,613 0.222,614 -0.013,615 -0.257,616 -0.092,617 -0.234,618 -0.058,619 -0.192,620 -0.135,621 -0.049,622 0.083,623 -0.047,624 0.057,625 -0.023,626 0.01,627 0.025,628 -0.138,629 0.081,630 -0.06,631 0.063,632 0.01,633 -0.01,634 -0.104,635 -0.101,636 -0.117,637 -0.032,638 -0.129,639 -0.112,640 0.164,641 -0.024,642 0.096,643 -0.101,644 0.072,645 -0.085,646 -0.148,647 -0.068,648 -0.133,649 -0.122,650 -0.103,651 2.449,652 3.485,653 0.545,654 20.116,655 1.008,656 1.136,657 1.536,658 2.36,659 0.624,660 3.178,661 3.466,662 3.584,663 3.807,664 4.06,665 4.007,666 4.007,667 4.007,668 3.951,669 3.784,670 5.832,671 0.595,672 306.4,673 3.178,674 4.691,675 5.485,676 6.347,677 7.174,678 8.046,679 8.891,680 9.768,681 10.623,682 11.503,683 4.5,693 2,699 3,700 2,704 1,706 6,724 44,726 8,728 23,730 45,731 16,733 4,739 2,740 2,745 2,748 2,749 1,751 5,753 7,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,796 1,802 2,818 1,822 2,830 1,831 2,832 2,836 2,840 22,845 1,846 4,848 2,850 2,852 1,862 9.1,864 1,865 1,866 2,869 12.083,870 8.183,871 4.889,872 2.594,874 1.391,875 1.218,876 0.873,877 5.782,878 7.779,879 3.367,880 3.795,881 4.073,882 4.479,883 4.932,884 4.861,885 5.115,886 5.294,887 5.396,888 5.348,889 1,890 29,891 8.138,893 3.35,894 7.92,895 15.401,897 12.247,899 2.42,900 53.25,904 247.193,905 79.608,906 33.571,908 89.828,911 79.608,912 337.021,913 33.571,914 17.65,915 12.196,916 18.952,917 159.622,918 29.899,920 211.88,922 247.193,923 113.179,924 89.828,927 164.795,928 150.226,929 22,931 56.56,932 4.095,933 52.524,935 247.193,936 123.399,937 79.608,940 247.193,941 16.291,942 63.316,944 123.399,945 247.193,946 123.399,947 79.608,949 0.571,950 0.292,951 0.152,952 0.094,953 13,954 6,955 0.133,956 6,958 1,959 3.411,960 158.293,962 12,963 92.107,968 16.755,969 7.591,970 5.275,972 123.399,973 5.023,974 8.112,978 0.933,980 42.683,981 450.2,982 28,987 10.485,989 3.891,991 -0.782,994 44.349,995 49.986,996 0.284,997 0.624,998 0.813,999 0.861,1000 0.869,1001 0.869,1002 4.6,1003 1,1004 5.493,1005 2.523,1006 4.143,1007 4.477,1008 2.719,1009 6.29,1010 4.084,1011 5.766,1012 0.835,1013 7.047,1014 2.136,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.862,1020 7.046,1021 0.227,1022 8.72,1023 1.788,1024 5.778,1025 6.386,1026 3.865,1027 10.443,1028 5.679,1029 8.353,1030 -0.326,1031 10.469,1032 0.531,1033 6.33,1034 6.74,1035 4.112,1036 12.438,1037 6.25,1038 9.691,1039 -0.53,1040 12.265,1041 -0.751,1042 7.754,1043 8.562,1044 5.308,1045 15.004,1046 7.62,1047 11.049,1048 -1,1049 14.093,1050 -1.377,1051 8.655,1052 9.245,1053 5.889,1054 17.26,1055 8.523,1056 12.423,1057 -1,1058 15.941,1059 -2,1060 9.912,1061 10.876,1062 6.893,1063 19.716,1064 9.739,1065 3.291,1066 -1,1067 17.804,1068 -2.347,1069 10.968,1070 11.748,1071 7.625,1072 22.066,1073 10.784,1074 2.832,1075 11.346,1076 19.678,1077 -2.445,1078 12.167,1079 13.269,1080 8.543,1081 24.489,1082 11.949,1083 2.252,1084 9.694,1085 21.559,1086 3.6,1087 13.291,1088 14.262,1089 9.342,1090 26.876,1091 13.055,1092 2.208,1093 6.369,1094 23.445,1095 3.183,1096 14.471,1097 15.712,1098 10.223,1099 29.291,1100 14.207,1101 1.648,1102 5.183,1103 25.336,1104 2.726,1105 15.626,1106 16.787,1107 11.051,1108 31.695,1109 15.34,1110 1.48,1111 3.762,1112 27.23,1113 2.591,1114 16.803,1115 18.188,1116 11.915,1117 34.11,1118 16.491,1119 1,1120 3.158,1121 29.127,1122 2.189,1123 17.972,1124 19.321,1125 12.755,1126 36.522,1127 17.637,1128 4806,1129 8550,1130 14.792,1131 27.443,1132 34.275,1133 34.537,1134 33.969,1135 33.449,1136 33.547,1137 39.892,1138 9.234,1139 92.976,1140 32.422,1141 5.326,1142 5.811,1143 6.63,1144 5.341,1145 5.291,1146 6.6,1147 3.925,1148 18.163,1149 5.171,1150 11.956,1151 1.49,1152 1.502,1153 1.477,1154 1.454,1155 1.459,1156 1.734,1157 0.401,1158 4.042,1159 1.41,1160 3.954,1161 3.988,1162 3.885,1163 3.814,1164 7.474,1165 3.823,1166 3.745,1167 3.795,1168 3.653,1169 3.611,1170 6.351,1171 3.612,1172 3.672,1173 3.711,1174 3.573,1175 3.471,1176 5.026,1177 3.488,1178 3.492,1179 3.541,1180 3.368,1181 3.322,1182 4.796,1183 3.32,1184 3.254,1185 3.298,1186 3.114,1187 3.057,1188 4.375,1189 3.066,1190 2.934,1191 3.009,1192 2.808,1193 2.706,1194 4.069,1195 2.722,1196 2.876,1197 2.99,1198 2.656,1199 2.618,1200 3.962,1201 2.589,1202 2.874,1203 2.94,1204 2.56,1205 2.575,1206 3.903,1207 2.57,1208 0.188,1209 0.166,1210 0.297,1211 0.186,1212 0.143,1213 4.326,1214 0.157,1215 3.811,1216 0.102,1217 6.828,1218 0.493,1219 4.269,1220 0.14,1221 3.291,1222 3.6,1223 2.341,1224 11.346,1225 3.215,1226 1.881,1227 1.849,1228 2.035,1229 2.048,1230 1.356,1231 2.04,1232 1.721,1233 1.676,1234 1.903,1235 1.886,1236 1.135,1237 1.892,1238 1.609,1239 1.563,1240 1.811,1241 1.834,1242 0.963,1243 1.827,1244 1.47,1245 1.415,1246 1.722,1247 1.674,1248 0.834,1249 1.692,1250 1.205,1251 1.159,1252 1.46,1253 1.448,1254 0.613,1255 1.448,1256 0.934,1257 0.809,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.872,1263 0.804,1264 1.167,1265 1.157,1266 0.307,1267 1.16,1268 0.802,1269 0.739,1270 1.124,1271 1.139,1272 0.227,1273 1.136,1274 3.85,1276 5.142,1278 6.619,1280 8.19,1282 9.818,1284 3.783,1289 8.622,1290 2.024,1292 11.771,1294 0.022,1296 -0.635,1300 26.17,1301 68.107,1302 149.85,1303 195.195,1304 206.705,1305 208.705,1306 208.705,1307 48.806,1308 6.389,1309 81.54,1310 81.54,1311 12,1312 12.045,1313 3.17,1314 2.585,1315 42.223,1316 73,1317 86,1318 0.277,1319 164.398,1320 293.7,1321 392.89,1322 4311,1324 16.002,1325 0.727,1326 0.588,1327 16.002,1328 12.936,1329 10.478,1330 0.456,1331 0.322,1332 7.285,1333 9.935,1334 7.059,1335 5.856,1336 10.478,1337 7.412,1338 9.761,1339 0.315,1340 0.188,1341 9.761,1342 5.821,1343 6.697,1344 0.191,1345 0.101,1346 6.697,1347 3.523,1348 5.305,1349 0.121,1350 0.055,1351 5.305,1352 2.416,1353 4.554,1354 0.08,1355 0.031,1356 4.554,1357 1.792,1358 0.433,1359 66.638,1360 0.26,1361 21.912,1362 0.763,1363 108,1364 362.647,1365 124.559,1366 334.976,1367 437.75,1368 312,1369 120,1370 302.71,1371 133.961,1372 300.728,1373 431.84,1374 280,1375 5} {0 CHEMBL18325,1 1.548,2 9.591,3 0.876,4 0.768,5 83.819,6 6.964,7 0.261,8 3.864,9 3.976,10 3.352,11 3.315,12 4.966,13 3.299,14 4.43,15 4.596,16 3.705,17 3.674,18 5.575,19 3.64,20 4.719,21 4.915,22 3.667,23 3.835,24 5.682,25 3.761,26 4.781,27 5.021,28 3.603,29 3.873,30 5.679,31 3.752,32 4.745,33 5.002,34 3.615,35 3.864,36 5.619,37 3.736,38 4.721,39 4.971,40 3.524,41 3.806,42 5.626,43 3.669,44 4.713,45 5.009,46 3.287,47 3.621,48 5.59,49 3.465,50 4.351,51 4.621,52 3.089,53 3.31,54 5.282,55 3.197,56 0.074,57 0.595,58 9.953,59 4.327,60 13.519,61 5.609,62 0.378,63 0.901,64 19.028,65 6.721,66 51.061,67 9.25,68 0.544,69 1.085,70 26.632,71 8.477,72 60.576,73 11.614,74 0.513,75 1.143,76 28.356,77 9.477,78 59.343,79 13.52,80 0.369,81 1.15,82 26.917,83 9.303,84 48.431,85 13.719,86 0.383,87 1.131,88 26.286,89 8.5,90 47.676,91 12.867,92 0.553,93 1.002,94 27.502,95 7.317,96 64.762,97 11.758,98 0.338,99 0.703,100 18.841,101 5.176,102 41.903,103 7.993,104 23,105 31,106 0.274,107 0.603,108 0.794,109 0.857,110 0.865,111 0.865,112 3.146,113 0.969,114 -2.77,115 -2.78,116 -2.7,118 36.4,119 2,120 3,121 1,124 1,126 1,130 1,133 2,140 1,141 1,143 2,154 1,162 1,163 1,167 1,168 6,169 1,171 1,172 10,175 1,177 1,180 6,181 1,186 6,191 1,194 5,195 1,197 1,198 5,203 1,206 8,207 1,209 1,210 6,215 1,218 7,219 1,221 1,222 7,227 1,229 4,230 1,233 1,234 7,239 1,242 4,247 2,248 2,255 3,256 1,258 2,259 3,262 2,264 1,267 2,268 1,270 732,271 14.397,272 14.397,273 14.397,274 14.397,275 14.397,276 13.204,277 15.179,278 8.815,279 14.541,280 11.387,281 11.387,282 11.387,283 11.387,284 11.387,285 9.706,286 17.411,287 4.246,288 11.642,289 3.912,290 2.054,291 0.978,292 0.625,293 0.58,294 0.58,295 3.806,299 1,300 1,301 431,302 3.536,306 146.232,313 1.446,314 25.226,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 49,326 211,327 4.326,328 3.811,329 6.828,330 4.269,331 3.291,332 3.6,333 2.341,334 11.346,335 3.216,336 3.993,337 3.597,338 6.357,339 3.821,340 2.832,341 3.183,342 1.465,343 9.694,344 2.799,345 3.563,346 3.154,347 5.238,348 3.251,349 2.252,350 2.726,351 0.811,352 6.369,353 2.234,354 3.46,355 2.384,356 4.659,357 3.199,358 2.208,359 2.591,361 5.183,362 2.179,363 3.093,364 2.006,365 4.237,366 2.625,367 1.648,368 2.189,370 3.762,371 1.606,372 2.83,373 1.865,374 3.686,375 2.446,376 1.48,377 1.886,379 3.158,380 1.42,381 2.5,382 1.445,383 3.558,384 1.962,385 1,386 1.5,388 2.523,389 0.959,390 2.173,391 1.243,392 3.247,393 1.913,394 1,395 1.139,397 2.136,398 0.904,399 1.946,400 1,401 3.192,402 1.816,403 0.835,404 0.879,406 1.788,407 0.812,408 1.427,409 0.787,410 2.867,411 1.173,412 0.227,413 0.254,415 0.531,416 0.211,417 0.785,418 0.482,419 2.768,420 0.655,421 -0.326,422 -0.34,424 -0.751,425 -0.315,426 0.727,427 0.123,428 2.267,429 0.436,430 -0.53,431 -0.6,433 -1.377,434 -0.51,435 0.5,436 -0.089,437 2.159,438 0.05,439 -1,440 -1,442 -2,443 -0.928,444 0.477,445 -0.619,446 2,448 -1,449 -1.06,451 -2.347,452 -0.968,453 0.187,454 -0.744,455 1.69,456 -0.011,457 -1,458 -1.207,460 -2.445,461 -0.988,462 10.133,463 0.461,464 0.608,465 0.028,466 22,467 1,468 8.5,469 0.386,470 13.5,471 0.614,472 21.041,473 0.956,474 25.867,475 0.588,476 15.257,477 0.694,478 4.345,479 0.197,480 6.133,481 0.279,482 0.164,483 0.049,484 0.197,487 0.792,488 1.336,489 0.85,490 1.315,491 0.756,492 1.131,493 0.84,494 1.243,495 0.881,496 1.199,497 0.475,498 1.07,499 1.472,500 1.005,501 1.23,502 1.027,503 1.061,504 1.079,505 0.961,506 0.944,507 1.023,508 1.006,509 0.723,510 1.034,511 0.595,512 1.026,513 0.835,514 1.035,515 0.468,516 0.997,517 0.704,518 1.208,519 1.023,520 1.181,521 0.596,522 1.17,523 0.89,524 0.835,525 0.97,526 0.817,527 0.818,528 0.884,529 1.051,530 0.9,531 1.001,532 0.906,533 1.035,534 0.922,535 5,536 0.144,537 2.222,538 1.313,539 1.156,540 0.646,541 0.364,542 0.236,543 0.164,544 0.141,545 4667,546 14640,547 1.959,548 50,549 4,550 6,552 2,553 1,554 2,556 7,558 1.646,559 1.821,560 3.198,561 -0.265,563 1,565 1,567 68.107,568 1.548,569 3.406,570 4.482,571 4.834,572 4.88,573 4.88,574 2.681,575 3.698,576 4.423,577 3.406,578 786.676,579 7.607,580 8893.08,582 1,585 240.215,586 1.546,587 4.371,588 0.217,589 0.013,590 0.072,591 0.045,592 0.043,593 0.023,594 0.015,595 0.013,596 0.011,597 0.01,598 0.463,599 0.33,600 1,601 1.866,602 102.1,603 -0.007,604 -0.037,605 0.04,606 -0.074,607 -0.059,608 -0.021,609 0.155,610 -0.125,611 0.072,612 -0.096,613 0.228,614 -0.036,615 -0.274,616 0.001,617 -0.234,618 -0.005,619 -0.198,620 -0.098,621 -0.075,622 0.019,623 -0.069,624 0.012,625 -0.031,626 -0.026,627 0.053,628 -0.042,629 0.083,630 -0.006,631 0.072,632 0.036,633 -0.008,634 -0.192,635 -0.097,636 -0.176,637 -0.03,638 -0.161,639 -0.056,640 0.076,641 0.008,642 0.063,643 -0.077,644 0.055,645 -0.117,646 0.038,647 -0.015,648 0.003,649 -0.127,650 0.023,651 2.448,652 3.486,653 0.545,654 20.116,655 1.008,656 1.136,657 1.536,658 2.36,659 0.624,660 3.178,661 3.466,662 3.584,663 3.807,664 4.06,665 4.007,666 4.007,667 4.007,668 3.951,669 3.784,670 5.832,671 0.595,672 306.4,673 3.178,674 4.691,675 5.485,676 6.347,677 7.174,678 8.046,679 8.891,680 9.768,681 10.623,682 11.503,683 4.5,693 2,699 3,700 2,704 1,706 6,724 44,726 8,728 23,730 45,731 16,733 4,739 2,740 2,745 2,748 2,749 1,751 5,753 7,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,794 1,802 2,818 1,822 2,830 1,831 2,832 2,836 2,840 22,845 1,846 4,848 2,850 2,852 1,862 9.1,864 1,865 1,866 2,869 12.083,870 8.183,871 4.889,872 2.612,874 1.391,875 1.218,876 0.872,877 5.782,878 7.779,879 3.367,880 3.795,881 4.073,882 4.479,883 4.932,884 4.861,885 5.115,886 5.294,887 5.396,888 5.348,889 1,890 29,891 8.134,893 3.348,894 7.92,895 15.401,897 12.264,899 2.42,900 53.25,904 247.193,905 80.465,906 33.326,908 89.828,911 80.465,912 337.021,913 33.326,914 17.65,915 12.196,916 28.429,917 147.606,918 21.28,920 223.651,922 247.193,923 113.791,924 89.828,927 164.795,928 150.226,929 22,931 47.941,932 13.572,933 52.279,935 247.193,936 123.154,937 80.465,940 247.193,941 16.291,942 64.174,944 123.154,945 247.193,946 123.154,947 80.465,949 0.571,950 0.292,951 0.152,952 0.094,953 13,954 6,955 0.133,956 6,958 1,959 3.411,960 158.293,962 12,963 96.107,968 16.755,969 7.591,970 5.275,972 123.154,973 5.272,974 7.715,978 0.982,980 42.683,981 450.813,982 28,987 10.486,989 3.899,991 -0.781,994 44.349,995 49.986,996 0.284,997 0.624,998 0.821,999 0.885,1000 0.894,1001 0.894,1002 4.6,1003 1,1004 5.493,1005 2.523,1006 4.143,1007 4.477,1008 2.719,1009 6.29,1010 4.096,1011 5.766,1012 0.835,1013 7.047,1014 2.136,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.862,1020 7.046,1021 0.227,1022 8.72,1023 1.788,1024 5.778,1025 6.386,1026 3.865,1027 10.443,1028 5.694,1029 8.353,1030 -0.326,1031 10.469,1032 0.531,1033 6.33,1034 6.74,1035 4.112,1036 12.438,1037 6.252,1038 9.691,1039 -0.53,1040 12.265,1041 -0.751,1042 7.754,1043 8.562,1044 5.308,1045 15.004,1046 7.633,1047 11.049,1048 -1,1049 14.093,1050 -1.377,1051 8.655,1052 9.245,1053 5.889,1054 17.26,1055 8.527,1056 12.423,1057 -1,1058 15.941,1059 -2,1060 9.912,1061 10.876,1062 6.893,1063 19.716,1064 9.749,1065 3.291,1066 -1,1067 17.804,1068 -2.347,1069 10.968,1070 11.748,1071 7.625,1072 22.066,1073 10.789,1074 2.832,1075 11.346,1076 19.678,1077 -2.445,1078 12.167,1079 13.269,1080 8.543,1081 24.489,1082 11.958,1083 2.252,1084 9.694,1085 21.559,1086 3.6,1087 13.291,1088 14.262,1089 9.342,1090 26.876,1091 13.061,1092 2.208,1093 6.369,1094 23.445,1095 3.183,1096 14.471,1097 15.712,1098 10.223,1099 29.291,1100 14.215,1101 1.648,1102 5.183,1103 25.336,1104 2.726,1105 15.626,1106 16.787,1107 11.051,1108 31.695,1109 15.346,1110 1.48,1111 3.762,1112 27.23,1113 2.591,1114 16.803,1115 18.188,1116 11.915,1117 34.11,1118 16.498,1119 1,1120 3.158,1121 29.127,1122 2.189,1123 17.972,1124 19.321,1125 12.755,1126 36.522,1127 17.643,1128 4806,1129 8586,1130 14.792,1131 27.443,1132 34.275,1133 34.537,1134 33.969,1135 33.473,1136 33.547,1137 39.892,1138 9.234,1139 92.976,1140 32.68,1141 5.326,1142 5.811,1143 6.63,1144 5.341,1145 5.291,1146 6.6,1147 3.925,1148 18.163,1149 5.173,1150 11.956,1151 1.49,1152 1.502,1153 1.477,1154 1.455,1155 1.459,1156 1.734,1157 0.401,1158 4.042,1159 1.421,1160 3.956,1161 3.989,1162 3.886,1163 3.822,1164 7.474,1165 3.83,1166 3.747,1167 3.795,1168 3.653,1169 3.619,1170 6.351,1171 3.617,1172 3.672,1173 3.711,1174 3.573,1175 3.477,1176 5.061,1177 3.491,1178 3.492,1179 3.54,1180 3.368,1181 3.322,1182 4.805,1183 3.32,1184 3.252,1185 3.297,1186 3.112,1187 3.055,1188 4.375,1189 3.064,1190 2.91,1191 3.009,1192 2.787,1193 2.696,1194 4.088,1195 2.701,1196 2.876,1197 2.969,1198 2.656,1199 2.618,1200 3.918,1201 2.589,1202 2.874,1203 2.94,1204 2.616,1205 2.576,1206 3.796,1207 2.57,1208 0.188,1209 0.166,1210 0.297,1211 0.186,1212 0.143,1213 4.326,1214 0.157,1215 3.811,1216 0.102,1217 6.828,1218 0.493,1219 4.269,1220 0.14,1221 3.291,1222 3.6,1223 2.341,1224 11.346,1225 3.216,1226 1.887,1227 1.856,1228 2.038,1229 2.049,1230 1.358,1231 2.042,1232 1.726,1233 1.682,1234 1.907,1235 1.886,1236 1.136,1237 1.893,1238 1.613,1239 1.569,1240 1.821,1241 1.834,1242 0.963,1243 1.828,1244 1.47,1245 1.415,1246 1.727,1247 1.673,1248 0.873,1249 1.692,1250 1.204,1251 1.158,1252 1.46,1253 1.447,1254 0.618,1255 1.447,1256 0.934,1257 0.804,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.86,1263 0.796,1264 1.166,1265 1.156,1266 0.32,1267 1.158,1268 0.803,1269 0.739,1270 1.129,1271 1.122,1272 0.25,1273 1.121,1274 3.85,1276 5.142,1278 6.619,1280 8.19,1282 9.818,1284 3.793,1289 8.623,1290 2.043,1292 11.788,1294 0.057,1296 -0.628,1300 26.17,1301 68.107,1302 149.85,1303 197.195,1304 212.705,1305 214.705,1306 214.705,1307 48.962,1308 6.389,1309 81.54,1310 81.54,1311 12,1312 12.045,1313 3.17,1314 2.585,1315 42.223,1316 73,1317 86,1318 0.277,1319 164.398,1320 293.7,1321 392.89,1322 4311,1324 16.002,1325 0.727,1326 0.588,1327 16.002,1328 12.936,1329 10.478,1330 0.456,1331 0.323,1332 7.306,1333 9.93,1334 7.083,1335 5.874,1336 10.478,1337 7.429,1338 9.761,1339 0.315,1340 0.188,1341 9.761,1342 5.825,1343 6.697,1344 0.191,1345 0.101,1346 6.697,1347 3.55,1348 5.305,1349 0.121,1350 0.055,1351 5.305,1352 2.428,1353 4.554,1354 0.08,1355 0.032,1356 4.554,1357 1.805,1358 0.433,1359 66.638,1360 0.26,1361 21.912,1362 0.763,1363 108,1364 362.647,1365 124.504,1366 335.059,1367 439.23,1368 312,1369 120,1370 308.243,1371 133.878,1372 303.798,1373 434.74,1374 284,1375 5.131} {0 CHEMBL18422,1 1.523,2 9.227,3 0.879,4 0.772,5 83.841,6 6.705,7 0.217,8 3.906,9 4.024,10 3.363,11 3.324,12 4.959,13 3.308,14 4.492,15 4.677,16 3.738,17 3.699,18 5.593,19 3.667,20 4.745,21 4.94,22 3.681,23 3.864,24 5.687,25 3.782,26 4.856,27 5.102,28 3.661,29 3.915,30 5.742,31 3.794,32 4.818,33 5.084,34 3.652,35 3.895,36 5.645,37 3.77,38 4.792,39 5.042,40 3.574,41 3.88,42 5.674,43 3.741,44 4.833,45 5.133,46 3.184,47 3.73,48 5.623,49 3.524,50 4.508,51 4.822,52 3.077,53 3.384,54 5.295,55 3.223,56 0.042,57 0.62,58 10.921,59 4.292,60 11.417,61 5.926,62 0.431,63 0.946,64 21.015,65 6.778,66 50.645,67 9.688,68 0.542,69 1.107,70 27.514,71 8.738,72 53.922,73 12.259,74 0.499,75 1.214,76 30.558,77 9.562,78 58.31,79 14.225,80 0.441,81 1.203,82 29.247,83 9.199,84 47.397,85 14.039,86 0.387,87 1.199,88 28.252,89 8.941,90 43.565,91 13.685,92 0.523,93 1.059,94 30.318,95 8.76,96 62.131,97 13.726,98 0.343,99 0.736,100 21.926,101 6.226,102 40.929,103 9.79,104 32,105 32,106 0.268,107 0.591,108 0.804,109 0.848,110 0.856,111 0.856,112 3.146,113 0.983,114 -2.85,115 -2.86,116 -2.77,118 34.8,119 2,120 3,121 1,123 1,124 1,126 1,130 1,133 2,143 1,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 2,172 7,175 1,177 1,180 5,181 1,185 1,186 4,191 1,194 3,195 1,197 1,198 5,203 1,206 4,207 1,209 1,210 7,215 1,218 3,219 1,221 1,222 7,227 1,229 2,230 1,234 5,239 1,242 2,247 2,248 2,255 2,258 2,259 1,260 1,262 2,267 2,270 720,271 14.19,272 14.19,273 14.19,274 14.19,275 14.19,276 13.074,277 16.51,278 8.475,279 14.434,280 11.354,281 11.354,282 11.354,283 11.354,284 11.354,285 9.76,286 18.358,287 4.046,288 11.772,289 4.001,290 2.162,291 0.952,292 0.701,293 0.658,294 0.658,295 3.801,299 1,300 1,301 415,302 3.606,305 57.511,306 78.078,313 1.409,314 24.341,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 49,326 203,327 4.397,328 3.817,329 6.863,330 4.28,331 3.307,332 3.894,333 2.341,334 11.456,335 3.218,336 4.131,337 3.597,338 6.503,339 3.909,340 2.944,341 3.222,342 1.465,343 10.146,344 2.841,345 3.576,346 3.244,347 5.652,348 3.376,349 2.414,350 2.727,351 0.811,352 7.368,353 2.315,354 3.53,355 2.542,356 4.66,357 3.236,358 2.231,359 2.614,361 5.184,362 2.215,363 3.091,364 2.121,365 4.57,366 2.646,367 1.676,368 2.142,370 4.423,371 1.623,372 2.679,373 1.937,374 3.855,375 2.408,376 1.457,377 1.696,379 3.174,380 1.373,381 2.558,382 1.438,383 3.67,384 2.047,385 1.135,386 1.582,388 2.604,389 1.034,390 2.051,391 1.234,392 3.418,393 1.82,394 0.867,395 0.975,397 2.102,398 0.816,399 1.945,400 1.035,401 3.192,402 1.697,403 0.764,404 0.871,406 1.749,407 0.709,408 1.417,409 0.769,410 2.867,411 1.157,412 0.214,413 0.24,415 0.504,416 0.199,417 0.772,418 0.475,419 2.769,420 0.654,421 -0.326,422 -0.34,424 -0.753,425 -0.315,426 0.632,427 0.123,428 2.268,429 0.415,430 -0.526,431 -0.585,433 -1.298,434 -0.49,435 0.476,436 -0.122,437 2.159,438 0.057,439 -0.909,440 -0.987,442 -2,443 -0.868,444 0.196,445 -0.537,446 2,447 0.038,448 -1,449 -1,451 -2.435,452 -0.933,453 0.119,454 -0.662,455 1.692,457 -1,458 -1.069,460 -2.89,461 -1,462 10.133,463 0.461,464 0.697,465 0.032,466 20.75,467 0.943,468 6.5,469 0.295,470 14.25,471 0.648,472 22.343,473 1.016,474 26.467,475 0.575,476 14.646,477 0.666,478 4.062,479 0.185,480 6.326,481 0.288,482 0.214,483 0.049,484 0.237,487 0.853,488 1.645,489 0.889,490 1.428,491 0.779,492 1.202,493 0.888,494 1.099,495 0.881,496 1.072,497 0.471,498 0.977,499 1.436,500 1.075,501 1.253,502 1.1,503 1.069,504 1.146,505 0.973,506 1.047,507 1.037,508 1.056,509 0.723,510 1.062,511 0.743,512 0.991,513 0.872,514 0.937,515 0.5,516 0.93,517 0.746,518 1.174,519 1.088,520 1.194,521 0.553,522 1.198,523 0.888,524 0.896,525 1.046,526 0.954,527 0.794,528 1.02,529 0.792,530 0.767,531 0.725,532 0.765,533 0.814,534 0.735,535 5.5,536 0.17,537 2.667,538 1.5,539 1.284,540 0.823,541 0.414,542 0.209,543 0.187,544 0.14,545 4552,546 13425,547 1.933,548 52.2,549 4,550 8,552 2,553 1,554 2,556 7,558 1.646,559 1.772,560 3.112,561 -0.265,563 1,567 70.045,568 1.523,569 3.361,570 4.572,571 4.822,572 4.866,573 4.866,574 2.441,575 3.88,576 4.423,577 3.357,578 775.464,579 7.609,580 8765.31,582 1,585 254.084,586 1.674,587 4.355,588 0.239,589 0.015,590 0.083,591 0.052,592 0.046,593 0.028,594 0.017,595 0.014,596 0.012,597 0.01,598 0.517,599 0.33,600 1,601 1.905,602 101.785,603 -0.046,604 -0.293,605 0.046,606 -0.15,607 -0.082,608 -0.051,609 0.152,610 0.059,611 0.11,612 0.009,613 0.23,614 0.051,615 -0.224,616 -0.028,617 -0.246,618 -0.045,619 -0.195,620 -0.142,621 -0.076,622 -0.047,623 -0.078,624 -0.048,625 -0.031,626 -0.063,627 -0.006,628 0.01,629 0.066,630 0.063,631 0.042,632 0.075,633 -0.04,634 -0.106,635 -0.158,636 -0.177,637 -0.009,638 -0.187,639 -0.09,640 -0.013,641 -0.1,642 -0.039,643 -0.104,644 -0.065,645 0.015,646 0.059,647 0.228,648 0.129,649 -0.014,650 0.214,651 2.441,652 3.497,653 0.5,654 19.521,655 1.005,656 1.139,657 1.622,658 2.632,659 0.613,660 3.178,661 3.497,662 3.638,663 3.871,664 4.043,665 4.078,666 4.025,667 4.043,668 3.892,669 3.761,670 5.745,671 0.58,672 308.42,673 3.178,674 4.71,675 5.517,676 6.395,677 7.236,678 8.122,679 8.981,680 9.871,681 10.739,682 11.633,683 4.3,691 1,693 1,699 2,700 1,704 1,705 1,706 5,724 46,726 7,728 23,730 47,731 16,733 3,739 2,740 2,745 2,748 2,749 1,751 5,753 6,754 10,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 24,773 5,774 1,775 6,778 1,779 2,784 1,785 4,801 1,802 1,818 1,822 2,830 1,831 2,832 2,836 3,840 22,845 1,846 4,848 2,850 2,852 1,862 8.7,864 1,865 1,866 2,869 12.417,870 8.85,871 4.833,872 2.694,874 1.19,875 1.186,876 0.874,877 5.647,878 7.577,879 3.35,880 3.812,881 4.117,882 4.531,883 4.68,884 4.841,885 5.026,886 5.181,887 5.161,888 5.16,889 0.833,890 29,891 8.152,893 3.359,894 7.875,895 15.531,897 12.43,899 2.375,900 52.25,904 270.735,905 78.528,906 18.685,908 89.828,911 78.528,912 360.563,913 18.685,914 26.047,915 12.196,916 18.952,917 139.684,918 10.947,919 2.757,920 247.193,922 270.735,923 97.213,924 89.828,927 188.338,928 150.226,929 22,931 49.411,932 12.063,933 35.738,935 270.735,936 108.513,937 78.528,940 270.735,941 15.863,942 64.564,944 106.614,945 270.735,946 108.513,947 78.528,949 0.581,950 0.303,951 0.155,952 0.087,953 14,954 7,955 0.128,956 6,958 1,959 3.361,960 160.612,962 11,963 96.107,968 17.036,969 7.293,970 4.844,972 106.614,973 3.591,974 4.167,978 1.028,979 1.965,980 42.683,981 457.776,982 27.5,987 10.497,989 3.927,991 -0.775,994 46.232,995 52.401,996 0.276,997 0.609,998 0.828,999 0.873,1000 0.881,1001 0.881,1002 4.608,1003 0.867,1004 5.549,1005 2.604,1006 4.174,1007 4.494,1008 2.719,1009 6.378,1010 4.101,1011 5.796,1012 0.764,1013 7.128,1014 2.102,1015 4.007,1016 4.331,1017 2.243,1018 7.609,1019 3.938,1020 7.098,1021 0.214,1022 8.824,1023 1.749,1024 5.844,1025 6.468,1026 3.865,1027 10.575,1028 5.711,1029 8.429,1030 -0.326,1031 10.588,1032 0.504,1033 6.463,1034 7.097,1035 4.112,1036 12.574,1037 6.326,1038 9.792,1039 -0.526,1040 12.396,1041 -0.753,1042 7.85,1043 8.758,1044 5.308,1045 15.155,1046 7.664,1047 11.175,1048 -0.909,1049 14.232,1050 -1.298,1051 8.792,1052 9.757,1053 5.889,1054 17.412,1055 8.59,1056 12.574,1057 -1,1058 16.087,1059 -2,1060 10.03,1061 11.231,1062 6.893,1063 19.88,1064 9.79,1065 3.307,1066 -1,1067 17.955,1068 -2.435,1069 11.105,1070 12.412,1071 7.625,1072 22.233,1073 10.844,1074 2.944,1075 11.456,1076 19.833,1077 -2.89,1078 12.295,1079 13.809,1080 8.543,1081 24.666,1082 12.001,1083 2.414,1084 10.146,1085 21.718,1086 3.894,1087 13.428,1088 15.079,1089 9.342,1090 27.057,1091 13.109,1092 2.231,1093 7.368,1094 23.608,1095 3.222,1096 14.605,1097 16.446,1098 10.223,1099 29.48,1100 14.257,1101 1.676,1102 5.184,1103 25.503,1104 2.727,1105 15.763,1106 17.759,1107 11.051,1108 31.888,1109 15.39,1110 1.457,1111 4.423,1112 27.4,1113 2.614,1114 16.94,1115 19.117,1116 11.915,1117 34.31,1118 16.539,1119 1.135,1120 3.174,1121 29.301,1122 2.142,1123 18.111,1124 20.451,1125 12.755,1126 36.728,1127 17.684,1128 4720,1129 8170,1130 14.504,1131 28.205,1132 34.838,1133 35.025,1134 34.846,1135 33.936,1136 34.019,1137 39.925,1138 9.234,1139 97.422,1140 32.686,1141 5.397,1142 5.642,1143 6.633,1144 5.354,1145 5.307,1146 6.537,1147 3.925,1148 18.549,1149 5.179,1150 13.238,1151 1.515,1152 1.523,1153 1.515,1154 1.475,1155 1.479,1156 1.736,1157 0.401,1158 4.236,1159 1.421,1160 4.005,1161 4.053,1162 3.946,1163 3.832,1164 7.474,1165 3.851,1166 3.781,1167 3.831,1168 3.683,1169 3.63,1170 6.351,1171 3.633,1172 3.685,1173 3.722,1174 3.58,1175 3.486,1176 4.971,1177 3.502,1178 3.493,1179 3.541,1180 3.368,1181 3.323,1182 4.773,1183 3.32,1184 3.253,1185 3.297,1186 3.106,1187 3.057,1188 4.375,1189 3.064,1190 3.039,1191 3.148,1192 2.797,1193 2.802,1194 4.045,1195 2.783,1196 2.876,1197 3.009,1198 2.676,1199 2.618,1200 3.888,1201 2.589,1202 2.874,1203 2.941,1204 2.654,1205 2.576,1206 3.854,1207 2.57,1208 0.191,1209 0.166,1210 0.298,1211 0.186,1212 0.144,1213 4.397,1214 0.169,1215 3.817,1216 0.102,1217 6.863,1218 0.498,1219 4.28,1220 0.14,1221 3.307,1222 3.894,1223 2.341,1224 11.456,1225 3.218,1226 1.85,1227 1.816,1228 2.023,1229 2.026,1230 1.354,1231 2.021,1232 1.686,1233 1.644,1234 1.892,1235 1.868,1236 1.134,1237 1.877,1238 1.54,1239 1.475,1240 1.785,1241 1.791,1242 0.963,1243 1.787,1244 1.462,1245 1.402,1246 1.721,1247 1.676,1248 0.868,1249 1.695,1250 1.31,1251 1.248,1252 1.506,1253 1.532,1254 0.643,1255 1.521,1256 1.171,1257 1.119,1258 1.417,1259 1.421,1260 0.515,1261 1.42,1262 0.934,1263 0.804,1264 1.413,1265 1.239,1266 0.469,1267 1.308,1268 0.836,1269 0.74,1270 1.199,1271 1.156,1272 0.289,1273 1.168,1274 3.85,1276 5.165,1277 2.398,1278 6.65,1279 4.595,1280 8.228,1281 6.555,1282 9.864,1284 5.776,1289 8.633,1290 2.093,1292 11.857,1294 0.102,1296 -0.613,1300 26.697,1301 70.045,1302 154.618,1303 210.309,1304 221.819,1305 223.819,1306 223.819,1307 48.853,1308 6.387,1309 73.58,1310 73.58,1311 11,1312 12.165,1313 3,1314 2.459,1315 42.238,1316 72,1317 86,1318 0.283,1319 167.325,1320 296.34,1321 400.033,1322 4207,1324 16.165,1325 0.735,1326 0.607,1327 16.165,1328 13.359,1329 10.389,1330 0.452,1331 0.328,1332 7.395,1333 9.818,1334 7.12,1335 5.923,1336 10.389,1337 7.536,1338 9.935,1339 0.31,1340 0.19,1341 9.935,1342 6.078,1343 6.92,1344 0.187,1345 0.102,1346 6.92,1347 3.76,1348 5.502,1349 0.117,1350 0.055,1351 5.502,1352 2.562,1353 4.242,1354 0.076,1355 0.033,1356 4.242,1357 1.832,1358 0.441,1359 66.261,1360 0.263,1361 21.816,1362 0.783,1363 110,1364 354.647,1365 127.253,1366 326.343,1367 429.07,1368 304,1369 124,1370 301.414,1371 139.376,1372 299.205,1373 431.61,1374 278,1375 7.155} {0 CHEMBL193,1 1.658,2 6.6,3 1.928,4 3.719,5 91.477,6 8.055,7 0.231,8 3.867,9 3.956,10 3.47,11 3.326,12 5.164,13 3.343,14 4.361,15 4.504,16 3.82,17 3.682,18 5.742,19 3.691,20 4.494,21 4.617,22 4.004,23 3.893,24 5.747,25 3.906,26 4.783,27 4.901,28 4.188,29 4.028,30 6.185,31 4.054,32 4.942,33 5.092,34 4.216,35 4.104,36 6.262,37 4.116,38 5.006,39 5.179,40 4.239,41 4.069,42 6.422,43 4.065,44 5.019,45 5.215,46 3.979,47 3.845,48 6.622,49 3.82,50 4.706,51 4.963,52 2.818,53 3.417,54 5.889,55 3.239,56 0.222,57 0.581,58 7.751,59 3.957,60 12.668,61 4.574,62 0.651,63 0.868,64 15.919,65 6.157,66 75.78,67 7.587,68 0.362,69 1.086,70 15.605,71 7.049,72 40.472,73 8.416,74 0.824,75 1.278,76 22.983,77 8.904,78 100.61,79 10.14,80 0.938,81 1.435,82 29.216,83 10.387,84 121.495,85 12.308,86 1.255,87 1.489,88 32.159,89 10.701,90 116.946,91 13.883,92 1.898,93 1.295,94 37.35,95 9.706,96 235.845,97 12.755,98 1.164,99 0.89,100 30.128,101 7.434,102 149.728,103 10.068,104 78,105 37,106 0.289,107 0.646,108 0.765,109 0.83,110 0.862,111 0.862,112 3.269,113 0.852,114 -2.89,115 -2.9,116 -2.8,118 39.5,119 2,121 1,123 2,134 2,136 1,137 1,140 4,141 1,142 1,152 1,154 1,162 2,168 7,171 2,172 9,175 1,177 1,180 10,186 11,191 1,194 8,197 3,198 19,201 1,203 3,206 10,210 10,215 1,218 4,221 6,222 13,225 3,227 3,229 4,233 8,234 8,237 2,239 1,242 2,270 935,271 16.328,272 16.328,273 16.328,274 16.328,275 16.328,276 14.334,277 20.71,278 9.369,279 16.627,280 12.618,281 12.618,282 12.618,283 12.618,284 12.618,285 9.57,286 23.124,287 4.16,288 12.952,289 3.769,290 1.723,291 1.047,292 0.675,293 0.489,294 0.489,295 3.921,298 1,299 1,300 1,301 326,302 3.808,306 159.737,313 0.88,314 44.921,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 57,326 165,327 4.69,328 3.932,329 7.19,330 4.375,331 3.384,332 4.238,333 2.612,334 12.652,335 3.354,336 4.321,337 3.77,338 6.392,339 3.845,340 2.869,341 3.95,342 1.674,343 9.629,344 2.798,345 4.1,346 3.47,347 6.294,348 3.685,349 2.693,350 3.486,351 1.36,352 9.171,353 2.662,354 3.603,355 2.919,356 5.391,357 3.095,358 2.135,359 2.99,360 1.216,361 6.361,362 2.047,363 3.457,364 2.822,365 5.026,366 2.991,367 2.014,368 2.64,369 1.045,370 5.522,371 1.954,372 3.102,373 2.368,374 4.653,375 2.669,376 1.698,377 2.22,378 0.391,379 4.413,380 1.638,381 2.979,382 2.119,383 4.44,384 2.619,385 1.628,386 2.049,388 3.859,389 1.609,390 2.615,391 1.461,392 3.707,393 2.106,394 1.125,395 1.601,397 2.804,398 1.099,399 2.43,400 1.367,401 3.466,402 2,403 1,404 1.402,406 2.304,407 1,408 1.609,409 1.297,410 3.271,411 1.37,412 0.467,413 0.496,415 0.833,416 0.416,417 1.478,418 1.107,419 3.122,420 1.167,421 0.27,422 0.297,424 0.384,425 0.238,426 1.194,427 1,428 2.402,429 0.868,430 -0.122,431 -0.138,433 -0.231,434 -0.119,435 1,436 0.719,437 2.298,438 0.72,439 -0.26,440 -0.334,442 -0.669,443 -0.254,444 0.987,445 0.237,446 2.24,447 0.398,448 -0.572,449 -0.652,451 -1.336,452 -0.556,453 0.746,454 0.033,455 2,456 0.185,457 -0.811,458 -1.091,460 -1.996,461 -0.805,462 11.3,463 0.452,464 0.758,465 0.03,466 30.75,467 1.23,468 15,469 0.6,470 15.75,471 0.63,472 21.798,473 0.872,474 28.3,475 0.658,476 27.791,477 1.112,478 6.66,479 0.266,480 5.168,481 0.207,482 0.295,484 0.434,487 0.651,488 1.242,489 0.711,490 1.16,491 0.635,492 1,493 0.699,494 0.917,495 0.652,496 0.761,497 0.461,498 0.706,499 0.775,500 1.224,501 0.784,502 1.117,503 0.693,504 0.965,505 1.138,506 1.137,507 1.007,508 1.134,509 1.168,510 1.051,511 1.231,512 1.197,513 1.025,514 1.123,515 1.176,516 1.034,517 0.793,518 1.18,519 0.93,520 1.225,521 0.841,522 1.138,523 1.117,524 0.931,525 1.192,526 0.988,527 0.968,528 1.087,529 1.487,530 0.767,531 1.564,532 0.904,533 1.634,534 1.194,535 5,537 3.333,538 2.813,539 2.298,540 1.875,541 1.144,542 0.41,543 0.041,545 4798,546 18489,547 1.884,548 41.9,549 1,550 10,553 1,554 3,555 3,558 1.697,559 1.685,560 2.713,561 -0.238,562 1,563 1,565 1,567 71.274,568 1.658,569 3.703,570 4.379,571 4.751,572 4.937,573 4.937,574 2.04,575 3.654,576 4.617,577 2.865,578 859.597,579 8.075,580 10335.9,582 1,584 1,585 233.329,586 1.569,587 4.517,588 0.192,590 0.09,591 0.063,592 0.045,593 0.036,594 0.023,595 0.012,596 0.006,598 0.468,599 0.33,600 1,601 1.37,602 115.243,603 0.06,604 -0.025,605 0.036,606 -0.028,607 -0.057,608 -0.018,609 0.157,610 0.158,611 0.228,612 0.303,613 0.202,614 0.29,615 -0.096,616 -0.022,617 -0.003,618 -0.03,619 -0.052,620 0.016,621 -0.126,622 -0.04,623 -0.132,624 -0.102,625 -0.126,626 -0.12,627 -0.221,628 -0.18,629 -0.098,630 -0.109,631 -0.171,632 -0.074,633 0.176,634 -0.168,635 0.028,636 -0.255,637 0.065,638 -0.18,639 0.139,640 -0.044,641 -0.109,642 -0.102,643 0.248,644 -0.165,645 -0.354,646 0.033,647 -0.437,648 -0.029,649 -0.342,650 -0.215,651 2.54,652 5.341,653 0.48,654 16.592,655 1.029,656 1.13,657 1.664,658 2.768,659 0.647,660 3.296,661 3.638,662 3.951,663 4.263,664 4.511,665 4.615,666 4.585,667 4.382,668 4.263,669 4.06,670 4.663,671 0.641,672 346.37,673 3.296,674 4.844,675 5.714,676 6.624,677 7.527,678 8.449,679 9.362,680 10.287,681 11.204,682 12.13,683 4.7,692 1,694 1,699 4,704 2,706 6,718 1,724 43,726 12,727 1,728 26,730 44,731 17,733 6,734 2,735 4,736 6,739 2,740 2,745 2,749 1,753 12,754 5,755 1,756 6,759 1,761 3,764 1,765 6,768 1,769 1,772 18,773 7,774 1,775 8,779 2,784 1,785 6,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 2,836 4,840 25,845 1,848 2,850 1,862 14,864 1,865 1,866 1,867 1,868 2,869 14.833,870 9.1,871 5.75,872 2.288,874 2.434,875 1.362,876 0.888,877 5.724,878 9.164,879 3.584,880 4.182,881 4.716,882 5.262,883 5.772,884 6.086,885 6.377,886 6.48,887 6.694,888 6.838,889 1,890 45,891 9.284,893 3.973,894 8.287,895 16.615,897 12.873,899 2.787,900 69.667,904 200.109,905 103.36,906 22.456,908 140.575,911 103.36,912 340.684,913 22.456,914 45.087,916 37.905,917 91.533,918 41.119,920 200.109,921 50.747,922 200.109,923 125.815,924 140.575,927 164.795,928 114.141,929 61.747,931 34.436,932 82.952,933 8.427,935 200.109,936 163.031,937 103.36,940 200.109,941 26.038,942 82.992,944 157.36,945 200.109,946 163.031,947 103.36,949 0.581,950 0.364,951 0.208,952 0.121,953 16,954 10,955 0.114,956 5,958 1,959 3.228,960 213.993,962 12,963 114.096,968 18.84,969 7.595,970 3.478,972 157.36,973 6.011,978 0.054,980 42.683,981 466.499,982 35,985 -0.54,987 35.247,990 4.262,991 -0.09,994 44.236,995 48.575,996 0.305,997 0.682,998 0.807,999 0.876,1000 0.91,1001 0.91,1002 4.84,1003 1.125,1004 5.74,1005 3.859,1006 4.317,1007 4.868,1008 3.259,1009 6.642,1010 4.274,1011 6.087,1012 1,1013 7.366,1014 2.804,1015 4.111,1016 4.868,1017 2.525,1018 7.784,1019 4.067,1020 7.437,1021 0.467,1022 9.097,1023 2.304,1024 5.989,1025 7.085,1026 4.501,1027 10.949,1028 5.917,1029 8.822,1030 0.27,1031 10.889,1032 0.833,1033 6.581,1034 7.849,1035 4.553,1036 12.915,1037 6.508,1038 10.238,1039 -0.122,1040 12.719,1041 0.384,1042 7.991,1043 9.591,1044 6.093,1045 15.637,1046 7.902,1047 11.674,1048 -0.26,1049 14.576,1050 -0.231,1051 8.929,1052 10.693,1053 6.568,1054 17.936,1055 8.837,1056 13.127,1057 -0.572,1058 16.452,1059 -0.669,1060 10.183,1061 12.251,1062 7.853,1063 20.517,1064 10.08,1065 3.384,1066 -0.811,1067 18.343,1068 -1.336,1069 11.27,1070 13.513,1071 8.551,1072 22.952,1073 11.162,1074 2.869,1075 12.652,1076 20.246,1077 -1.996,1078 12.476,1079 14.994,1080 9.694,1081 25.492,1082 12.36,1083 2.693,1084 9.629,1085 22.158,1086 4.238,1087 13.626,1088 16.334,1089 10.51,1090 27.984,1091 13.504,1092 2.135,1093 9.171,1094 24.078,1095 3.95,1096 14.823,1097 17.781,1098 11.573,1099 30.516,1100 14.694,1101 2.014,1102 6.361,1103 26.004,1104 3.486,1105 16.003,1106 19.162,1107 12.452,1108 33.032,1109 15.867,1110 1.698,1111 5.522,1112 27.936,1113 2.99,1114 17.201,1115 20.596,1116 13.472,1117 35.563,1118 17.058,1119 1.628,1120 4.413,1121 29.873,1122 2.64,1123 18.395,1124 21.998,1125 14.386,1126 38.09,1127 18.246,1128 5129,1129 10164,1130 15.838,1131 27.83,1132 39.152,1133 40.901,1134 43.29,1135 38.436,1136 38.568,1137 50.739,1138 16.597,1139 115.864,1140 37.63,1141 5.576,1142 5.932,1143 6.869,1144 5.414,1145 5.384,1146 7.238,1147 4.612,1148 20.204,1149 5.354,1150 17.133,1151 1.506,1152 1.573,1153 1.665,1154 1.478,1155 1.483,1156 1.951,1157 0.638,1158 4.456,1159 1.447,1160 4.061,1161 4.082,1162 4.028,1163 3.965,1164 7.815,1165 3.973,1166 3.841,1167 3.866,1168 3.807,1169 3.702,1170 7.433,1171 3.716,1172 3.513,1173 3.522,1174 3.454,1175 3.308,1176 6.999,1177 3.333,1178 3.473,1179 3.498,1180 3.431,1181 3.069,1182 6.474,1183 3.133,1184 3.344,1185 3.393,1186 3.214,1187 3.033,1188 4.797,1189 3.085,1190 3.215,1191 3.3,1192 3.001,1193 2.97,1194 4.645,1195 2.971,1196 3.098,1197 3.178,1198 2.906,1199 2.903,1200 4.519,1201 2.895,1202 2.906,1203 2.97,1204 2.669,1205 2.654,1206 4.471,1207 2.641,1208 0.18,1209 0.151,1210 0.277,1211 0.168,1212 0.13,1213 4.69,1214 0.163,1215 3.932,1216 0.1,1217 7.19,1218 0.487,1219 4.375,1220 0.129,1221 3.384,1222 4.238,1223 2.612,1224 12.652,1225 3.354,1226 1.994,1227 1.974,1228 2.073,1229 2.12,1230 1.295,1231 2.096,1232 1.775,1233 1.748,1234 1.891,1235 1.949,1236 0.98,1237 1.918,1238 1.419,1239 1.394,1240 1.665,1241 1.675,1242 0.748,1243 1.655,1244 1.259,1245 1.199,1246 1.596,1247 1.649,1248 0.617,1249 1.579,1250 1.206,1251 1.165,1252 1.585,1253 1.578,1254 0.581,1255 1.551,1256 1.195,1257 1.125,1258 1.438,1259 1.484,1260 0.564,1261 1.527,1262 1.104,1263 1.025,1264 1.279,1265 1.335,1266 0.213,1267 1.373,1268 0.855,1269 0.792,1270 1.087,1271 1.167,1272 0.118,1273 1.147,1274 3.97,1276 5.303,1278 6.853,1280 8.513,1282 10.235,1284 5.709,1289 10.205,1292 9.747,1294 -0.938,1300 27.546,1301 71.274,1302 159.224,1303 188.31,1304 204.31,1305 212.31,1306 212.31,1307 82.42,1308 6.73,1309 113.94,1310 113.94,1311 12,1312 12.636,1313 3.7,1314 3.322,1315 50.628,1316 65,1317 70,1318 0.377,1319 173.2,1320 320.66,1321 414.369,1322 5740,1324 18.723,1325 0.749,1326 0.571,1327 18.723,1328 14.27,1329 11.828,1330 0.455,1331 0.284,1332 7.211,1333 11.071,1334 6.911,1335 5.812,1336 11.828,1337 7.382,1338 10.55,1339 0.285,1340 0.145,1341 10.55,1342 5.36,1343 8.774,1344 0.172,1345 0.078,1346 8.774,1347 3.966,1348 7.405,1349 0.106,1350 0.042,1351 7.405,1352 2.907,1353 5.861,1354 0.065,1355 0.022,1356 5.861,1357 1.981,1358 0.547,1359 76.659,1360 0.251,1361 22.99,1362 1.204,1363 126,1364 506.118,1365 144.636,1366 469.676,1367 611.97,1368 432,1369 151,1370 432.939,1371 168.286,1372 432.158,1373 625.4,1374 399,1375 4.731} {0 CHEMBL195437,1 1.117,2 9.267,3 5.242,4 27.481,5 65,6 5.577,7 0.4,8 3.62,9 3.762,10 2.902,11 3.162,12 4.525,13 3.065,14 4.177,15 4.398,16 3.096,17 3.514,18 4.965,19 3.355,20 4.478,21 4.77,22 3.032,23 3.591,24 5.181,25 3.379,26 4.426,27 4.738,28 2.788,29 3.476,30 5.034,31 3.229,32 4.297,33 4.624,34 2.669,35 3.344,36 4.831,37 3.092,38 4.161,39 4.469,40 2.585,41 3.218,42 4.795,43 2.986,44 4.054,45 4.363,46 2.478,47 3.099,48 4.707,49 2.868,50 3.898,51 4.203,52 2.356,53 2.948,54 4.59,55 2.726,56 0.047,57 0.463,58 9.089,59 4.055,60 6.803,61 5.622,62 0.072,63 0.738,64 14.826,65 6.503,66 11.986,67 9.155,68 0.119,69 0.883,70 18.705,71 7.787,72 20.007,73 11.102,74 0.109,75 0.815,76 17.262,77 7.215,78 15.723,79 10.345,80 0.079,81 0.714,82 14.889,83 6.358,84 9.979,85 9.145,86 0.09,87 0.621,88 13.291,89 5.48,90 12.145,91 7.844,92 0.084,93 0.551,94 11.9,95 4.859,96 11.655,97 6.958,98 0.075,99 0.469,100 10.22,101 4.127,102 10.927,103 5.902,104 12,105 17,106 0.21,107 0.466,108 0.625,109 0.752,110 0.823,111 0.843,112 2.788,113 1.221,114 -6.06,115 -5.91,116 -5.5,118 37.8,119 1,120 7,140 4,141 1,142 1,168 12,177 2,180 13,191 2,194 12,203 1,206 9,215 1,218 8,227 1,229 7,239 1,242 6,252 1,255 5,264 1,267 4,270 244,271 10.251,272 10.251,273 10.251,274 10.251,275 10.251,276 9.475,277 5.795,278 6.773,279 10.291,280 7.398,281 7.398,282 7.398,283 7.398,284 7.398,285 6.293,286 2.633,287 3.252,288 7.479,289 4.092,290 2.73,291 1.886,292 1.21,293 0.831,294 0.723,295 3.42,299 1,300 1,301 273,302 2.828,306 55.013,313 1.484,314 6.805,317 0.75,318 0.83,319 1,320 0.9,321 1,322 1,323 1,324 0.93,325 31,326 139,327 4.011,328 2.813,329 5.412,330 3.607,331 2.619,332 3.614,334 7.154,335 2.588,336 3.426,337 2.423,338 4.889,339 3.089,340 2.122,341 2.708,343 5.696,344 2.044,345 2.848,346 1.838,347 3.839,348 2.827,349 1.83,350 1.851,352 3.646,353 1.824,354 2.5,355 1.423,356 3.421,357 2.412,358 1.414,359 1.5,361 2.729,362 1.411,363 2.446,364 1,365 3.414,366 2,367 1,368 1.445,370 2.275,371 1,372 1.89,373 0.893,374 2.887,375 1.842,376 0.845,377 0.871,379 1.545,380 0.842,381 1.349,382 0.426,383 2.301,384 1.231,385 0.242,386 0.257,388 0.434,389 0.239,390 0.966,391 -0.022,392 2,393 0.775,394 -0.192,395 -0.214,397 -0.354,398 -0.183,399 0.5,400 -0.489,401 1.762,402 0.324,403 -0.654,404 -0.694,406 -1.203,407 -0.637,408 0.414,409 -0.949,410 1.442,412 -1,413 -1.208,415 -2.35,416 -1,417 -0.035,418 -1,419 0.935,420 -0.177,421 -1.143,422 -1.5,424 -3,425 -1.095,426 -0.247,427 -1.328,428 0.759,429 -0.455,430 -1.414,431 -1.57,433 -3.029,434 -1.372,435 -0.5,436 -1.603,437 0.586,438 -0.729,439 -1.724,440 -1.854,442 -3.579,443 -1.717,444 -0.653,445 -1.887,446 0.316,447 -0.945,448 -1.944,449 -2.208,451 -4.689,452 -1.943,453 -0.916,454 -2,455 0.036,456 -1,457 -2,458 -3,460 -5.275,461 -2,462 7.333,463 0.489,464 0.174,465 0.012,466 14.25,467 0.95,468 6.5,469 0.433,470 7.75,471 0.517,472 12.937,473 0.862,474 17.867,475 0.483,476 6.487,477 0.432,478 2.223,479 0.148,480 5.103,481 0.34,482 0.114,484 0.136,487 1.012,488 1.23,489 1.18,490 1.229,491 1.002,492 1.217,493 0.598,494 1.297,495 1.141,496 1.294,497 0.494,498 1.258,499 0.818,500 1.012,501 0.97,502 1.011,503 0.764,504 1.002,505 0.707,506 0.987,507 0.968,508 0.991,509 0.711,510 0.996,511 0.327,512 0.928,513 0.831,514 0.93,515 0.333,516 0.916,517 0.865,518 0.957,519 0.959,520 0.959,521 0.879,522 0.965,523 0.94,524 0.931,525 0.945,526 0.932,527 0.97,528 0.938,529 1.076,530 0.933,531 0.962,532 0.933,533 1.126,534 0.939,535 2,536 0.037,537 0.889,538 0.25,539 0.342,540 0.146,541 0.101,542 0.075,543 0.057,544 0.046,545 1797,546 3180,547 1.925,548 59.5,549 17,550 4,553 1,558 1.516,559 1.837,560 3.225,561 -0.395,567 41.339,568 1.117,569 2.48,570 3.324,571 4,572 4.378,573 4.486,574 2.74,575 3.507,576 3.874,577 3.327,578 349.339,579 6.429,580 3098.61,585 192.75,586 1.103,587 3.857,588 0.133,589 0.009,590 0.052,591 0.017,592 0.031,593 0.015,594 0.011,595 0.009,596 0.008,597 0.008,598 0.294,599 0.67,600 0.88,601 2.471,602 62.108,603 -0.068,604 0.044,605 -0.016,606 0.039,607 -0.051,608 0.018,609 0.018,610 -0.168,611 -0.102,612 -0.165,613 0.113,614 -0.144,615 0.004,616 -0.032,617 -0.007,618 -0.03,619 0.054,620 -0.02,621 -0.015,622 -0.042,623 -0.04,624 -0.042,625 -0.025,626 -0.043,627 0.068,628 0.006,629 0.062,630 0.011,631 0.046,632 0.033,633 -0.022,634 -0.012,635 -0.017,636 -0.013,637 -0.045,638 -0.014,639 -0.022,640 0.005,641 -0.001,642 0.005,643 -0.054,644 0.004,645 -0.033,646 0.005,647 -0.006,648 0.004,649 -0.074,650 0.002,651 1.304,652 3.125,653 0.4,654 11.422,655 0.974,656 1.129,657 4.833,658 23.359,659 0.617,660 2.773,661 2.89,662 2.944,663 2.996,664 3.135,665 2.89,666 2.708,667 2.639,668 2.565,669 2.398,670 5.416,671 0.554,672 206.36,673 2.773,674 4.174,675 4.905,676 5.666,677 6.422,678 7.192,679 7.96,680 8.736,681 9.511,682 10.292,699 4,704 2,706 6,721 1,724 37,726 6,727 1,728 15,730 37,731 14,733 6,734 2,735 4,739 1,740 1,745 1,751 7,753 6,754 8,772 22,773 1,774 1,775 1,784 1,785 1,802 1,832 1,836 1,840 15,845 1,846 7,862 2.7,864 1,869 8.167,870 6.533,871 3.667,872 2.731,874 1.124,875 1.214,876 0.884,877 6.102,878 6.366,879 2.944,880 3.314,881 3.67,882 4.05,883 4.52,884 4.182,885 3.898,886 3.878,887 3.857,888 3.791,889 1,890 15,891 5.569,892 -0.001,893 2.129,894 7.489,895 11.208,897 8.717,898 -0.001,899 1.989,900 29.833,901 0.01,904 247.193,905 67.657,908 42.683,911 67.657,912 289.876,914 8.825,915 17.742,916 37.905,917 42.683,918 3.186,920 247.193,922 247.193,923 67.657,924 42.683,927 247.193,928 42.683,931 26.567,932 41.091,935 247.193,936 42.683,937 67.657,940 247.193,941 20.927,942 46.73,944 42.683,945 247.193,946 42.683,947 67.657,949 0.527,950 0.274,951 0.131,952 0.074,953 5,954 2,955 0.189,956 7,958 1,959 2.913,960 78.337,962 6,963 54.603,968 12.252,969 7.47,970 5.583,972 42.683,973 7.571,978 1.699,980 42.683,981 357.534,982 18,994 36.047,995 41.777,996 0.214,997 0.476,998 0.638,999 0.768,1000 0.84,1001 0.861,1002 4.052,1003 -0.192,1004 4.762,1005 0.434,1006 3.555,1007 3.989,1009 5.303,1010 3.532,1011 5.125,1012 -0.654,1013 6.146,1014 -0.354,1015 2.565,1016 3.332,1018 5.602,1019 2.468,1020 6.321,1021 -1,1022 7.625,1023 -1.203,1024 4.875,1025 5.933,1027 8.623,1028 4.828,1029 7.556,1030 -1.143,1031 9.162,1032 -2.35,1033 4.71,1034 6.136,1036 9.803,1037 4.583,1038 8.829,1039 -1.414,1040 10.737,1041 -3,1042 6.425,1043 8.189,1045 12.241,1046 6.351,1047 10.127,1048 -1.724,1049 12.338,1050 -3.029,1051 6.718,1052 8.805,1054 13.803,1055 6.577,1056 11.444,1057 -1.944,1058 13.958,1059 -3.579,1060 8.109,1061 10.585,1063 15.999,1064 8.009,1065 2.619,1066 -2,1067 15.591,1068 -4.689,1069 8.673,1070 11.43,1072 17.75,1073 8.521,1074 2.122,1075 7.154,1076 17.234,1077 -5.275,1078 9.879,1079 13.049,1081 19.831,1082 9.754,1083 1.83,1084 5.696,1085 18.885,1086 3.614,1087 10.608,1088 14.037,1090 21.681,1091 10.443,1092 1.414,1093 3.646,1094 20.541,1095 2.708,1096 11.708,1097 15.551,1099 23.705,1100 11.559,1101 1,1102 2.729,1103 22.202,1104 1.851,1105 12.533,1106 16.634,1108 25.608,1109 12.354,1110 0.845,1111 2.275,1112 23.866,1113 1.5,1114 13.573,1115 18.077,1117 27.604,1118 13.401,1119 0.242,1120 1.545,1121 25.533,1122 1.445,1123 14.456,1124 19.223,1126 29.536,1127 14.261,1128 1934,1129 2676,1130 9.822,1131 22.83,1132 20.143,1133 20.197,1134 20.594,1135 20.203,1136 20.142,1137 24.494,1139 46.957,1140 19.894,1141 4.927,1142 4.813,1143 5.376,1144 4.607,1145 4.619,1146 6.614,1148 12.429,1149 4.588,1150 6.802,1151 1.343,1152 1.346,1153 1.373,1154 1.347,1155 1.343,1156 1.633,1158 3.13,1159 1.326,1160 3.938,1161 3.97,1162 3.863,1163 3.87,1164 6.471,1165 3.864,1166 3.753,1167 3.814,1168 3.588,1169 3.636,1170 4.624,1171 3.615,1172 3.533,1173 3.606,1174 3.347,1175 3.396,1176 4.209,1177 3.374,1178 3.249,1179 3.33,1180 3.049,1181 3.086,1182 3.999,1183 3.065,1184 2.957,1185 3.035,1186 2.753,1187 2.764,1188 3.687,1189 2.748,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.674,1195 2.715,1196 2.7,1197 2.788,1198 2.418,1199 2.453,1200 3.35,1201 2.429,1202 2.427,1203 2.556,1204 2.056,1205 2.121,1206 3.035,1207 2.081,1208 0.267,1209 0.188,1210 0.361,1211 0.24,1212 0.175,1213 4.011,1214 0.241,1215 2.813,1217 5.412,1218 0.477,1219 3.607,1220 0.173,1221 2.619,1222 3.614,1224 7.154,1225 2.588,1226 1.923,1227 1.895,1228 2.081,1229 2.021,1230 1.41,1231 2.041,1232 1.771,1233 1.711,1234 2.001,1235 1.922,1236 1.241,1237 1.954,1238 1.561,1239 1.493,1240 1.841,1241 1.741,1242 1.045,1243 1.779,1244 1.275,1245 1.197,1246 1.607,1247 1.489,1248 0.822,1249 1.533,1250 0.964,1251 0.884,1252 1.337,1253 1.216,1254 0.545,1255 1.257,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.275,1261 1.107,1262 0.693,1263 0.604,1264 1.089,1265 1.005,1266 0.218,1267 1.026,1268 0.448,1269 0.321,1270 0.914,1271 0.819,1272 0.054,1273 0.864,1274 3.434,1276 4.595,1278 5.938,1280 7.37,1282 8.852,1284 2.246,1289 9.125,1290 9.191,1300 20.51,1301 41.339,1302 91.753,1303 122.975,1304 147.995,1305 161.995,1306 165.995,1307 24.83,1308 5.242,1309 20.23,1310 20.23,1311 6,1312 10.906,1313 2.807,1314 2,1315 31.687,1316 48,1317 49,1318 0.322,1319 132.884,1320 228.37,1321 315.997,1322 987,1324 10.933,1325 0.729,1326 0.647,1327 10.933,1328 9.706,1329 7.326,1330 0.488,1331 0.407,1332 6.09,1333 7.254,1334 5.91,1335 5.044,1336 7.326,1337 6.106,1338 5.682,1339 0.334,1340 0.246,1341 5.682,1342 4.184,1343 4.101,1344 0.228,1345 0.153,1346 4.101,1347 2.755,1348 2.831,1349 0.149,1350 0.093,1351 2.831,1352 1.772,1353 2.242,1354 0.102,1355 0.054,1356 2.242,1357 1.191,1358 0.527,1359 44.532,1360 0.319,1361 16.153,1362 0.814,1363 64,1364 130.15,1365 66.104,1366 131.259,1367 175.26,1368 122,1369 67,1370 123.03,1371 68.661,1372 127.417,1373 178.22,1374 120,1375 4.18} {0 CHEMBL198965,1 1.715,2 12.971,3 4.565,4 20.836,5 131.757,6 8.125,7 0.579,8 4.208,9 4.305,10 3.958,11 3.8,12 5.343,13 3.764,14 4.743,15 4.89,16 4.262,17 4.187,18 6.085,19 4.135,20 5.003,21 5.184,22 4.3,23 4.345,24 6.15,25 4.261,26 5.114,27 5.308,28 4.228,29 4.371,30 6.217,31 4.267,32 5.136,33 5.36,34 4.262,35 4.366,36 6.164,37 4.257,38 5.152,39 5.371,40 4.316,41 4.398,42 6.351,43 4.278,44 5.167,45 5.404,46 4.298,47 4.38,48 6.19,49 4.259,50 5.131,51 5.361,52 4.268,53 4.314,54 6.28,55 4.21,56 0.136,57 0.947,58 13.799,59 6.093,60 25.226,61 6.898,62 0.49,63 1.527,64 23.234,65 10.028,66 82.267,67 12.066,68 0.547,69 1.919,70 35.484,71 13.663,72 83.973,73 15.78,74 0.656,75 2.008,76 40.094,77 14.829,78 108.693,79 17.808,80 0.653,81 2,82 39.931,83 15.078,84 95.652,85 19.557,86 0.815,87 2.093,88 39.567,89 15.555,90 134.532,91 20.09,92 0.552,93 2.068,94 44.795,95 16.31,96 86.808,97 20.75,98 0.746,99 1.974,100 45.681,101 15.611,102 108.189,103 19.042,104 40,105 54,106 0.273,107 0.611,108 0.779,109 0.858,110 0.858,111 0.858,112 3.589,113 1.002,114 -3.86,115 -3.81,116 -3.62,118 42.6,119 1,120 3,124 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 13,169 1,171 1,172 7,175 3,177 1,180 15,181 1,186 10,189 1,191 3,194 14,195 1,198 9,203 3,206 12,207 2,209 2,210 3,215 6,218 11,219 2,221 1,222 6,227 6,229 8,230 1,234 13,235 1,239 4,242 6,243 1,246 1,247 11,250 1,252 2,255 11,256 1,259 9,262 1,264 2,267 18,268 1,270 2652,271 23.162,272 23.162,273 23.162,274 23.162,275 23.162,276 19.962,277 20.297,278 13.613,279 23.572,280 18.744,281 18.744,282 18.744,283 18.744,284 18.744,285 13.87,286 16.619,287 6.487,288 19.447,289 4.216,290 2.089,291 1.037,292 0.537,293 0.537,294 0.537,295 4.279,300 1,301 964,302 4.416,305 84.475,306 334.058,309 157.654,313 1.804,314 49.687,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 77,326 454,327 4.845,328 4.683,329 7.293,330 4.31,331 3.377,332 4.725,333 2.341,334 12.404,335 3.237,336 4.756,337 3.6,338 7.015,339 4.286,340 3.333,341 4.696,342 0.68,343 11.972,344 3.063,345 3.956,346 3.469,347 5.814,348 3.592,349 2.598,350 3.491,352 7.981,353 2.582,354 3.835,355 2.875,356 5.605,357 3.435,358 2.444,359 3.393,361 7.138,362 2.42,363 3.807,364 2.816,365 5.306,366 3.352,367 2.4,368 3.294,370 6.607,371 2.273,372 3.53,373 2.612,374 5.184,375 3.164,376 2.168,377 2.832,379 6.32,380 2.139,381 3.467,382 2.298,383 5.148,384 3.07,385 2.1,386 2.718,388 6.159,389 2.028,390 3.274,391 2.08,392 4.732,393 2.873,394 1.888,395 2.531,397 5.014,398 1.852,399 3.082,400 1.897,401 4.604,402 2.611,403 1.653,404 2.29,406 4.764,407 1.566,408 2.876,409 1.569,410 3.914,411 2.393,412 1.45,413 2.033,415 3.214,416 1.364,417 2.531,418 1.384,419 3.654,420 2.214,421 1.245,422 1.534,424 2.938,425 1.202,426 2.5,427 1.12,428 3.513,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.005,437 3.414,438 1.984,439 1,440 1.5,442 2.152,443 0.983,444 2.198,445 1,446 3.287,447 1.879,448 0.901,449 1.128,451 2.136,452 0.879,453 1.819,454 1,455 3.247,456 1.6,457 0.599,458 0.688,460 1.392,461 0.594,462 16.652,463 0.476,464 1.016,465 0.029,466 46.25,467 1.321,468 24.5,469 0.7,470 21.75,471 0.621,472 31.38,473 0.897,474 37.948,475 0.622,476 39.436,477 1.127,478 9.15,479 0.261,480 7.592,481 0.217,482 0.127,483 0.05,484 0.294,486 1,487 0.584,488 1.151,489 0.792,490 1.158,491 0.636,492 0.935,493 0.545,494 1.031,495 0.828,496 0.974,497 0.464,498 0.949,499 0.972,500 1.008,501 1.162,502 1.08,503 0.887,504 1.039,505 0.996,506 1.024,507 1.2,508 1.148,509 0.967,510 1.175,511 0.63,512 0.89,513 0.8,514 0.937,515 0.671,516 1.018,517 0.528,518 0.904,519 0.842,520 0.987,521 0.478,522 1.079,523 0.654,524 0.915,525 0.923,526 1.012,527 0.594,528 0.968,529 0.876,530 0.86,531 1.05,532 0.994,533 0.875,534 0.909,535 8,536 0.302,537 4.444,538 2.986,539 1.872,540 1.532,541 0.845,542 0.85,543 0.545,544 0.363,545 17513,546 57636,547 2.034,548 42.6,549 5,550 13,552 2,553 2,554 4,558 1.773,559 1.883,560 3.621,561 0.191,567 104.597,568 1.715,569 3.841,570 4.893,571 5.394,572 5.394,573 5.394,574 3.076,575 4.708,576 5.094,577 3.815,578 2269.99,579 8.98,580 35794.5,585 361.775,586 1.592,587 5.043,588 0.211,589 0.007,590 0.082,591 0.054,592 0.037,593 0.03,594 0.016,595 0.016,596 0.011,597 0.008,598 0.473,599 0.33,600 0.88,601 1.022,602 189.127,603 0.02,604 -0.087,605 0.162,606 -0.034,607 -0.093,608 0.035,609 0.181,610 -0.014,611 0.049,612 0.02,613 0.21,614 0.005,615 -0.128,616 0.017,617 -0.149,618 -0.033,619 -0.071,620 -0.059,621 -0.153,622 -0.095,623 -0.235,624 -0.15,625 -0.112,626 -0.191,627 0.035,628 -0.064,629 0.064,630 -0.015,631 -0.02,632 -0.012,633 0.172,634 -0.001,635 0.054,636 -0.037,637 0.171,638 -0.072,639 0.012,640 -0.051,641 0.097,642 -0.001,643 0.028,644 0.064,645 -0.013,646 0.039,647 0.044,648 0.042,649 -0.003,650 0.106,651 4.698,652 5.652,653 0.6,654 42.921,655 1.013,656 1.124,657 2.626,658 6.894,659 0.681,660 3.664,661 4.007,662 4.248,663 4.5,664 4.754,665 4.852,666 5.004,667 5.165,668 5.257,669 5.328,670 7.665,671 0.653,672 495.62,673 3.664,674 5.22,675 6.066,676 6.954,677 7.826,678 8.722,679 9.608,680 10.511,681 11.406,682 12.314,683 4.9,685 1,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 61,726 25,727 2,728 38,730 64,731 26,733 19,734 5,735 7,739 4,740 5,745 1,751 3,753 20,754 6,756 3,760 1,761 3,765 1,770 1,772 26,773 7,774 2,775 9,776 1,779 3,784 0.75,785 4,795 1,797 1,801 1,802 3,805 1,818 1,830 1,832 3,834 1,836 1,838 1,840 35,844 1,845 1,846 5,847 1,861 1,862 6.6,864 1,865 3,869 18.583,870 11.076,871 7.597,872 3.551,874 3.782,875 1.476,876 0.986,877 7.537,878 11.729,879 3.97,880 4.627,881 5.17,882 5.754,883 6.308,884 6.605,885 7.009,886 7.403,887 7.664,888 7.964,889 0.889,890 55,891 13.255,893 5.98,894 8.069,895 24.396,897 20.336,899 2.569,900 89.917,904 282.506,905 158.441,906 35.09,908 112.141,909 14.96,910 5.807,911 152.633,912 394.648,913 50.05,914 8.825,915 11.815,916 107.499,917 153.379,918 42.795,919 19.861,920 258.964,922 282.506,923 187.723,924 127.101,925 5.807,927 297.467,928 112.141,931 57.039,932 113.898,933 22.593,935 297.467,936 147.231,937 158.441,939 5.807,940 282.506,941 40.427,942 114.105,943 16.405,944 143.887,945 282.506,946 162.191,947 158.441,949 0.587,950 0.328,951 0.168,952 0.098,953 25,954 12,955 0.156,956 10,957 1,958 1.095,959 4.476,960 329.946,961 0.095,962 21,963 169.525,967 1,968 24.902,969 10.594,970 5.897,971 1.963,972 160.292,973 17.955,974 4.077,978 3.63,979 2.096,980 59.088,981 603.138,982 52,986 -3.781,987 36.304,991 -0.841,994 61.807,995 68.575,996 0.289,997 0.648,998 0.825,999 0.909,1000 0.909,1001 0.909,1002 5.212,1003 1.888,1004 6.084,1005 6.159,1006 4.691,1007 5.316,1008 2.35,1009 6.934,1010 4.619,1011 6.462,1012 1.653,1013 7.676,1014 5.014,1015 4.443,1016 5.394,1017 2.243,1018 8.109,1019 4.29,1020 7.814,1021 1.45,1022 9.381,1023 4.764,1024 6.358,1025 7.655,1026 3.64,1027 11.169,1028 6.193,1029 9.209,1030 1.245,1031 11.157,1032 3.214,1033 6.929,1034 8.559,1035 4.112,1036 13.203,1037 6.665,1038 10.641,1039 1,1040 12.982,1041 2.938,1042 8.37,1043 10.36,1044 5.203,1045 15.866,1046 8.087,1047 12.101,1048 1,1049 14.842,1050 2.275,1051 9.305,1052 11.628,1053 5.889,1054 18.211,1055 8.925,1056 13.583,1057 0.901,1058 16.729,1059 2.152,1060 10.583,1061 13.267,1062 6.849,1063 20.763,1064 10.167,1065 3.377,1066 0.599,1067 18.635,1068 2.136,1069 11.678,1070 14.695,1071 7.625,1072 23.213,1073 11.176,1074 3.333,1075 12.404,1076 20.556,1077 1.392,1078 12.902,1079 16.275,1080 8.526,1081 25.732,1082 12.354,1083 2.598,1084 11.972,1085 22.489,1086 4.725,1087 14.064,1088 17.773,1089 9.342,1090 28.218,1091 13.442,1092 2.444,1093 7.981,1094 24.431,1095 4.696,1096 15.274,1097 19.332,1098 10.216,1099 30.727,1100 14.599,1101 2.4,1102 7.138,1103 26.38,1104 3.491,1105 16.463,1106 20.86,1107 11.051,1108 33.225,1109 15.723,1110 2.168,1111 6.607,1112 28.335,1113 3.393,1114 17.671,1115 22.412,1116 11.912,1117 35.731,1118 16.876,1119 2.1,1120 6.32,1121 30.294,1122 3.294,1123 18.872,1124 23.952,1125 12.755,1126 38.233,1127 18.018,1128 16948,1129 30942,1130 24.849,1131 41.557,1132 57.252,1133 59.143,1134 58.617,1135 57.219,1136 57.062,1137 77.544,1138 6.042,1139 166.855,1140 55.084,1141 5.756,1142 6.683,1143 7.095,1144 5.376,1145 5.377,1146 7.725,1147 3.925,1148 19.635,1149 5.237,1150 19.767,1151 1.507,1152 1.556,1153 1.543,1154 1.506,1155 1.502,1156 2.041,1157 0.159,1158 4.391,1159 1.45,1160 4.183,1161 4.212,1162 4.735,1163 4.109,1164 8.201,1165 4.106,1166 4.056,1167 4.036,1168 4.135,1169 4.039,1170 7.717,1171 3.959,1172 3.859,1173 3.899,1174 3.795,1175 3.769,1176 7.474,1177 3.77,1178 3.703,1179 3.743,1180 3.724,1181 3.575,1182 6.999,1183 3.559,1184 3.647,1185 3.662,1186 3.591,1187 3.525,1188 6.351,1189 3.491,1190 3.434,1191 3.455,1192 3.361,1193 3.257,1194 4.934,1195 3.266,1196 3.331,1197 3.381,1198 3.203,1199 3.187,1200 4.853,1201 3.162,1202 3.076,1203 3.163,1204 2.899,1205 2.892,1206 4.585,1207 2.88,1208 0.127,1209 0.123,1210 0.192,1211 0.113,1212 0.089,1213 4.845,1214 0.124,1215 4.683,1216 0.062,1217 7.293,1218 0.326,1219 4.31,1220 0.085,1221 3.377,1222 4.725,1223 2.341,1224 12.404,1225 3.237,1226 1.976,1227 1.965,1228 2.071,1229 2.068,1230 1.292,1231 2.081,1232 1.949,1233 1.947,1234 2.007,1235 2.021,1236 1.234,1237 2.046,1238 1.884,1239 1.847,1240 1.964,1241 1.998,1242 1.155,1243 2.005,1244 1.667,1245 1.616,1246 1.835,1247 1.851,1248 1.055,1249 1.853,1250 1.556,1251 1.52,1252 1.768,1253 1.741,1254 0.963,1255 1.744,1256 1.477,1257 1.474,1258 1.632,1259 1.666,1260 0.785,1261 1.682,1262 1.255,1263 1.226,1264 1.418,1265 1.455,1266 0.554,1267 1.485,1268 1.081,1269 1.01,1270 1.196,1271 1.311,1272 0.495,1273 1.347,1274 4.344,1276 5.68,1277 2.398,1278 7.203,1279 4.949,1280 8.81,1281 7.209,1282 10.466,1284 2.027,1286 13.187,1289 9.03,1290 1.665,1291 2.606,1300 39.815,1301 104.597,1302 234.331,1303 298.491,1304 329.02,1305 329.02,1306 329.02,1307 91.007,1308 7.947,1309 101.29,1310 109.67,1311 23,1312 12.834,1313 4.7,1314 3.907,1315 59.172,1316 152,1317 183,1318 0.18,1319 247.093,1320 429.02,1321 594.668,1322 31507,1323 1.6,1324 25.001,1325 0.714,1326 0.573,1327 24.381,1328 20.055,1329 16.742,1330 0.441,1331 0.334,1332 11.196,1333 15.34,1334 10.806,1335 8.916,1336 17.169,1337 12.692,1338 15.742,1339 0.292,1340 0.187,1341 16.444,1342 10.119,1343 12.476,1344 0.181,1345 0.109,1346 13.173,1347 7.491,1348 9.976,1349 0.112,1350 0.059,1351 10.693,1352 5.216,1353 8.355,1354 0.073,1355 0.033,1356 8.876,1357 3.749,1358 0.281,1359 113.148,1360 0.201,1361 32.196,1362 0.496,1363 184,1364 621.951,1365 238.97,1366 595.654,1367 788.98,1368 548,1369 215,1370 535.174,1371 274.484,1372 572.126,1373 828.55,1374 537,1375 7.108} {0 CHEMBL2093006,1 1.592,2 12.406,3 3.766,4 14.18,5 122.616,6 7.276,7 0.364,8 4.16,9 4.289,10 3.679,11 3.639,12 5.362,13 3.623,14 4.652,15 4.841,16 3.975,17 3.98,18 5.823,19 3.932,20 4.92,21 5.143,22 3.976,23 4.1,24 5.983,25 4.027,26 4.982,27 5.246,28 4.048,29 4.068,30 6.015,31 4.004,32 4.898,33 5.1,34 4.086,35 4.107,36 6.042,37 4.078,38 5.006,39 5.229,40 4.11,41 4.225,42 6.156,43 4.142,44 4.989,45 5.217,46 3.985,47 4.217,48 6.11,49 4.105,50 4.988,51 5.253,52 3.898,53 4.157,54 5.913,55 4.022,56 0.112,57 0.875,58 12.533,59 5.071,60 18.92,61 6.956,62 0.342,63 1.304,64 22.388,65 8.364,66 55.23,67 11.768,68 0.432,69 1.57,70 30.923,71 9.251,72 66.726,73 13.931,74 0.497,75 1.565,76 34.657,77 10.114,78 75.831,79 15.523,80 0.62,81 1.566,82 30.297,83 8.188,84 66.397,85 12.043,86 0.613,87 1.701,88 33.744,89 11.327,90 80.985,91 16.673,92 0.521,93 1.72,94 32.649,95 11.173,96 86.371,97 16.487,98 0.385,99 1.619,100 33.682,101 11.641,102 53.458,103 17.761,104 66,105 43,106 0.258,107 0.628,108 0.782,109 0.84,110 0.846,111 0.846,112 3.502,113 0.93,114 -4.16,115 -4.1,116 -3.88,118 38.3,119 3,120 3,124 1,129 1,140 6,141 2,142 1,143 2,153 1,154 2,155 1,162 1,163 1,167 1,168 8,169 1,172 9,175 4,176 1,177 3,180 10,181 1,186 9,191 3,194 5,195 1,197 2,198 11,201 1,203 10,206 4,209 1,210 8,211 1,213 1,215 3,218 6,221 1,222 8,223 1,225 2,227 2,229 13,233 2,234 5,237 3,239 2,242 14,246 1,247 3,250 1,252 2,255 9,256 2,258 2,259 8,262 1,264 4,267 6,268 3,270 2138,271 21.06,272 21.06,273 21.06,274 21.06,275 21.06,276 18.805,277 23.269,278 13.141,279 21.493,280 16.351,281 16.351,282 16.351,283 16.351,284 16.351,285 12.948,286 30.965,287 6.267,288 16.997,289 4.315,290 2.029,291 1.08,292 0.721,293 0.688,294 0.688,295 4.169,299 1,300 1,301 793,302 5.148,306 252.618,313 2.207,314 32.01,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 70,326 397,327 4.394,328 4,329 6.509,330 4.104,331 3.141,332 3.988,333 2.373,334 10.235,335 3.025,336 4.256,337 3.922,338 6.456,339 4.011,340 3.026,341 3.533,342 2.341,343 10.191,344 2.98,345 3.922,346 3.596,347 5.58,348 3.545,349 2.586,350 3.375,351 1.374,352 7.657,353 2.487,354 3.635,355 3.376,356 5.224,357 3.24,358 2.24,359 2.864,360 1.107,361 6.465,362 2.22,363 3.55,364 2.98,365 4.868,366 3.191,367 2.235,368 2.71,369 0.268,370 5.481,371 2.124,372 3.468,373 2.783,374 4.659,375 2.918,376 1.964,377 2.581,379 5.184,380 1.865,381 3.253,382 2.398,383 4.127,384 2.683,385 1.731,386 2.156,388 3.825,389 1.637,390 2.974,391 2.036,392 3.711,393 2.457,394 1.488,395 1.835,397 3.268,398 1.439,399 2.789,400 1.745,401 3.504,402 2.201,403 1.221,404 1.753,406 2.68,407 1.195,408 2.662,409 1.512,410 3.434,411 2.134,412 1.151,413 1.668,415 2.505,416 1.125,417 2.503,418 1.215,419 3.247,420 1.956,421 1.023,422 1.5,424 2.136,425 0.953,426 2.5,427 1.147,428 3.215,429 1.933,430 1,431 1.441,433 1.758,434 0.93,435 1.933,436 1,437 3.065,438 1.629,439 0.675,440 0.817,442 1.558,443 0.637,444 1.317,445 0.816,446 3,447 1.095,448 0.097,449 0.105,451 0.215,452 0.096,453 1.243,454 0.669,455 2.487,456 0.88,457 -0.057,458 -0.071,460 -0.162,461 -0.054,462 14.9,463 0.466,464 0.805,465 0.025,466 40,467 1.25,468 20,469 0.625,470 20,471 0.625,472 28.789,473 0.9,474 35.5,475 0.592,476 32.919,477 1.029,478 7.909,479 0.247,480 7.372,481 0.23,482 0.172,483 0.034,484 0.201,487 0.795,488 1.377,489 0.841,490 1.173,491 0.673,492 1.039,493 0.621,494 1.129,495 0.817,496 1.097,497 0.401,498 1.013,499 1.194,500 1.174,501 1.151,502 1.076,503 0.976,504 1.091,505 0.934,506 0.978,507 0.736,508 0.823,509 0.649,510 0.756,511 1.609,512 0.918,513 1.217,514 0.825,515 1.034,516 0.915,517 0.765,518 1.092,519 0.936,520 1.023,521 0.762,522 1.013,523 0.733,524 1.046,525 1.164,526 1.158,527 1.028,528 1.22,529 0.441,530 1.059,531 0.88,532 1.081,533 0.438,534 1.057,535 7,536 0.264,537 2.222,538 2.063,539 1.093,540 0.924,541 0.647,542 0.47,543 0.353,544 0.336,545 12957,546 40104,547 1.936,548 46.7,549 2,550 8,552 2,553 3,554 2,555 11,558 1.749,559 1.803,560 3.545,561 0.884,563 1,567 95.501,568 1.592,569 3.878,570 4.827,571 5.185,572 5.219,573 5.219,574 3.031,575 4.438,576 4.964,577 3.814,578 1891.94,579 8.715,580 28979,582 1,585 354.413,586 1.508,587 4.915,588 0.212,589 0.007,590 0.052,591 0.05,592 0.024,593 0.02,594 0.013,595 0.011,596 0.009,597 0.009,598 0.408,599 0.33,600 0.88,601 2.218,602 169.973,603 0.009,604 -0.123,605 0.022,606 -0.036,607 -0.022,608 -0.012,609 0.198,610 -0.01,611 0.097,612 -0.026,613 0.221,614 0.005,615 -0.214,616 -0.108,617 -0.187,618 -0.096,619 -0.18,620 -0.127,621 0.032,622 -0.027,623 0.267,624 0.133,625 0.072,626 0.222,627 -0.316,628 0.209,629 -0.222,630 0.113,631 -0.211,632 -0.007,633 0.114,634 -0.067,635 0.014,636 0.009,637 0.04,638 -0.004,639 -0.009,640 0.035,641 -0.239,642 -0.139,643 -0.137,644 -0.22,645 0.115,646 -0.083,647 0.053,648 -0.052,649 0.056,650 -0.017,651 2.492,652 3.624,653 0.375,654 39.488,655 1.005,656 1.136,657 2.926,658 8.56,659 0.646,660 3.526,661 3.784,662 3.871,663 4.111,664 4.263,665 4.304,666 4.369,667 4.477,668 4.511,669 4.554,670 7.686,671 0.618,672 436.57,673 3.526,674 5.03,675 5.808,676 6.658,677 7.461,678 8.321,679 9.137,680 10.002,681 10.828,682 11.696,683 10,685 1,688 1,692 3,693 1,699 8,700 1,704 3,706 12,709 1,717 1,724 60,726 16,727 1,728 33,730 61,731 23,733 11,734 2,735 4,736 1,739 2,740 2,743 1,745 3,751 3,752 1,753 14,754 8,755 1,756 3,761 1,764 2,765 3,769 1,772 28,773 9,774 3,775 9,779 6,784 1,785 3,795 1,802 2,818 1,826 1,830 1,832 2,836 3,840 32,845 1,846 4,847 2,848 1,852 1,853 1,858 1,860 1,862 5,864 1,865 1,867 1,869 17.75,870 11.5,871 7.264,872 3.486,874 2.443,875 1.351,876 0.894,877 9.814,878 9.403,879 3.807,880 4.277,881 4.682,882 5.214,883 5.671,884 5.869,885 6.214,886 6.548,887 6.786,888 7.04,889 1,890 41,891 11.727,893 4.69,894 7.945,895 21.945,897 16.725,899 2.445,900 78.25,903 1,904 294.278,905 144.49,906 120.052,908 79.047,911 144.49,912 373.325,913 120.052,914 26.476,915 12.196,916 74.868,917 146.006,918 105.686,919 1.899,920 270.735,922 294.278,923 264.542,924 79.047,927 164.795,928 208.529,931 142.022,932 87.724,933 34.796,935 294.278,936 199.099,937 144.49,940 294.278,941 26.89,942 101.428,943 52.194,944 163.077,945 294.278,946 199.099,947 144.49,949 0.559,950 0.279,951 0.156,952 0.086,953 15,954 8,955 0.197,956 12,958 1,959 4.242,960 262.61,962 12,963 155.245,968 25.005,969 12.56,970 9.62,972 199.099,973 14.533,974 4.161,978 2.265,980 78.705,981 637.867,982 44,987 10.624,990 8.782,991 0.1,994 60.312,995 68.185,996 0.269,997 0.656,998 0.817,999 0.878,1000 0.884,1001 0.884,1002 5.024,1003 1.488,1004 5.79,1005 3.825,1006 4.466,1007 4.963,1008 3.289,1009 6.538,1010 4.395,1011 6.22,1012 1.221,1013 7.307,1014 3.268,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.028,1020 7.506,1021 1.151,1022 8.937,1023 2.68,1024 6.038,1025 7.01,1026 4.698,1027 10.504,1028 5.907,1029 8.824,1030 1.023,1031 10.636,1032 2.505,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.335,1038 10.169,1039 1,1040 12.38,1041 2.136,1042 7.92,1043 9.33,1044 6.315,1045 14.861,1046 7.737,1047 11.535,1048 0.675,1049 14.156,1050 1.758,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.524,1056 12.917,1057 0.097,1058 15.952,1059 1.558,1060 9.973,1061 11.802,1062 7.999,1063 19.385,1064 9.738,1065 3.141,1066 -0.057,1067 17.765,1068 0.215,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.693,1074 3.026,1075 10.235,1076 19.589,1077 -0.162,1078 12.121,1079 14.366,1080 9.706,1081 23.978,1082 11.832,1083 2.586,1084 10.191,1085 21.422,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.864,1092 2.24,1093 7.657,1094 23.262,1095 3.533,1096 14.32,1097 16.991,1098 11.421,1099 28.601,1100 13.974,1101 2.235,1102 6.465,1103 25.108,1104 3.375,1105 15.416,1106 18.236,1107 11.051,1108 30.911,1109 15.041,1110 1.964,1111 5.481,1112 26.958,1113 2.864,1114 16.546,1115 19.657,1116 13.139,1117 33.237,1118 16.142,1119 1.731,1120 5.184,1121 28.811,1122 2.71,1123 17.659,1124 20.952,1125 12.756,1126 35.554,1127 17.225,1128 13322,1129 23584,1130 21.148,1131 38.773,1132 49.01,1133 52.463,1134 48.225,1135 47.212,1136 47.155,1137 60.654,1138 14.927,1139 126.314,1140 45.428,1141 5.282,1142 6,1143 6.333,1144 5.14,1145 5.141,1146 6.988,1147 4.746,1148 17.041,1149 5.025,1150 19.31,1151 1.485,1152 1.59,1153 1.461,1154 1.431,1155 1.429,1156 1.838,1157 0.452,1158 3.828,1159 1.377,1160 3.996,1161 4.03,1162 3.949,1163 3.914,1164 7.474,1165 3.917,1166 3.82,1167 3.872,1168 3.759,1169 3.709,1170 6.826,1171 3.713,1172 3.748,1173 3.802,1174 3.652,1175 3.605,1176 6.351,1177 3.605,1178 3.727,1179 3.775,1180 3.601,1181 3.567,1182 5.012,1183 3.563,1184 3.45,1185 3.527,1186 3.364,1187 3.2,1188 4.813,1189 3.237,1190 3.411,1191 3.443,1192 3.324,1193 3.142,1194 4.761,1195 3.176,1196 3.199,1197 3.247,1198 3.124,1199 3.025,1200 4.593,1201 3.04,1202 3.039,1203 3.116,1204 2.959,1205 2.824,1206 4.138,1207 2.846,1208 0.133,1209 0.121,1210 0.197,1211 0.124,1212 0.095,1213 4.394,1214 0.121,1215 4,1216 0.072,1217 6.509,1218 0.31,1219 4.104,1220 0.092,1221 3.141,1222 3.988,1223 2.373,1224 10.235,1225 3.025,1226 1.947,1227 1.921,1228 2.037,1229 2.049,1230 1.276,1231 2.046,1232 1.791,1233 1.752,1234 1.965,1235 1.949,1236 1.147,1237 1.95,1238 1.727,1239 1.666,1240 1.948,1241 1.894,1242 1.125,1243 1.911,1244 1.704,1245 1.652,1246 1.9,1247 1.879,1248 0.934,1249 1.893,1250 1.342,1251 1.279,1252 1.555,1253 1.63,1254 0.77,1255 1.597,1256 1.299,1257 1.248,1258 1.46,1259 1.597,1260 0.469,1261 1.569,1262 1.132,1263 1.088,1264 1.417,1265 1.348,1266 0.469,1267 1.319,1268 0.96,1269 0.891,1270 1.417,1271 1.239,1272 0.405,1273 1.308,1274 4.205,1276 5.476,1278 6.917,1280 8.441,1282 10.014,1284 5.807,1289 8.728,1290 1.521,1291 5.695,1292 5.48,1296 -0.374,1298 9.035,1299 1.893,1300 37.068,1301 95.501,1302 232.662,1303 289.619,1304 311.129,1305 313.129,1306 313.129,1307 87.688,1308 6.96,1309 131.99,1310 131.99,1311 12,1312 12.25,1313 4.087,1314 3.585,1315 76.499,1316 141,1317 170,1318 0.253,1319 237.161,1320 423.27,1321 570.432,1322 8800,1324 23.399,1325 0.731,1326 0.578,1327 23.399,1328 18.5,1329 15.281,1330 0.463,1331 0.31,1332 10.081,1333 14.602,1334 9.727,1335 8.22,1336 15.281,1337 10.229,1338 13.895,1339 0.323,1340 0.185,1341 13.895,1342 7.94,1343 9.018,1344 0.192,1345 0.085,1346 9.018,1347 3.987,1348 7.689,1349 0.128,1350 0.045,1351 7.689,1352 2.684,1353 5.809,1354 0.083,1355 0.023,1356 5.809,1357 1.641,1358 0.401,1359 96.392,1360 0.217,1361 30.22,1362 0.687,1363 152,1364 498.867,1365 169.492,1366 484.852,1367 640.65,1368 448,1369 166,1370 459.717,1371 181.139,1372 464.853,1373 652.16,1374 432,1375 6.638} {0 CHEMBL21072,1 1.536,2 10.448,3 3.629,4 13.167,5 114.201,6 7.25,7 0.4,8 4.047,9 4.177,10 3.564,11 3.571,12 5.249,13 3.545,14 4.529,15 4.715,16 3.882,17 3.924,18 5.724,19 3.865,20 4.798,21 5.012,22 3.869,23 4.074,24 5.863,25 3.983,26 4.887,27 5.146,28 3.942,29 4.093,30 5.895,31 3.993,32 4.849,33 5.062,34 3.989,35 4.167,36 5.912,37 4.088,38 5.014,39 5.262,40 4.046,41 4.255,42 6.058,43 4.143,44 4.973,45 5.208,46 3.972,47 4.158,48 6.166,49 4.058,50 4.91,51 5.166,52 3.827,53 3.969,54 6.073,55 3.87,56 0.038,57 0.785,58 11.063,59 4.622,60 15.481,61 6.28,62 0.265,63 1.191,64 19.4,65 7.771,66 49.155,67 10.821,68 0.287,69 1.469,70 26.611,71 9.042,72 55.832,73 13.041,74 0.282,75 1.522,76 30.473,77 10.795,78 60.525,79 15.871,80 0.301,81 1.605,82 27.664,83 9.19,84 45.067,85 13.492,86 0.187,87 1.758,88 33.686,89 12.512,90 51.914,91 18.397,92 0.28,93 1.673,94 32.376,95 10.827,96 78.661,97 15.844,98 0.454,99 1.415,100 32.333,101 10.163,102 87.569,103 14.747,104 63,105 40,106 0.254,107 0.631,108 0.766,109 0.832,110 0.838,111 0.838,112 3.408,113 0.923,114 -4.08,115 -4.03,116 -3.81,118 40.7,119 3,120 2,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 11,169 1,172 6,175 4,176 1,177 3,180 16,181 1,186 3,191 3,194 13,195 1,197 1,198 5,201 1,203 11,206 12,207 1,210 6,215 5,218 10,219 2,222 11,227 6,229 11,230 3,234 8,235 1,237 1,239 7,242 8,243 2,246 1,247 6,250 1,252 4,253 1,255 6,256 1,258 1,259 5,262 2,263 1,264 3,267 6,270 1494,271 18.938,272 18.938,273 18.938,274 18.938,275 18.938,276 16.683,277 19.069,278 11.641,279 19.26,280 14.851,281 14.851,282 14.851,283 14.851,284 14.851,285 11.448,286 27.033,287 5.519,288 15.337,289 4.219,290 1.943,291 1.126,292 0.727,293 0.69,294 0.69,295 4.072,299 1,300 1,301 606,302 4.848,306 221.838,313 1.674,314 26.435,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 62.5,326 303,327 4.395,328 3.922,329 6.509,330 4.104,331 3.141,332 3.988,333 2.341,334 10.235,335 3.03,336 4.256,337 3.598,338 6.456,339 4.023,340 3.027,341 3.533,342 1.374,343 10.191,344 3.012,345 3.922,346 3.376,347 5.58,348 3.547,349 2.586,350 3.375,351 1.107,352 7.657,353 2.492,354 3.635,355 3.051,356 5.224,357 3.23,358 2.241,359 2.869,360 0.268,361 6.465,362 2.211,363 3.554,364 2.797,365 4.869,366 3.19,367 2.223,368 2.707,370 5.485,371 2.123,372 3.458,373 2.4,374 4.659,375 2.91,376 1.949,377 2.575,379 5.176,380 1.865,381 3.248,382 2.065,383 4.092,384 2.502,385 1.525,386 2.146,388 3.642,389 1.486,390 2.958,391 1.786,392 3.518,393 2.251,394 1.266,395 1.785,397 2.766,398 1.242,399 2.698,400 1.451,401 3.481,402 2.17,403 1.176,404 1.678,406 2.577,407 1.168,408 2.608,409 1.2,410 3.247,411 1.956,412 1.023,413 1.6,415 2.136,416 0.954,417 2.5,418 1,419 3.215,420 1.933,421 1,422 1.5,424 1.758,425 0.93,426 1.892,427 0.867,428 3.081,429 1.553,430 0.555,431 0.707,433 1.346,434 0.551,435 1.317,436 0.669,437 3,438 0.88,439 -0.057,440 -0.071,442 -0.162,443 -0.054,444 1.227,445 0.465,446 2.339,447 0.658,448 -0.336,449 -0.389,451 -0.617,452 -0.309,453 0.946,454 0.286,455 2.308,456 0.569,457 -0.35,458 -0.473,460 -0.807,461 -0.341,462 13.667,463 0.471,464 0.805,465 0.028,466 37.75,467 1.302,468 20,469 0.69,470 17.75,471 0.612,472 24.818,473 0.856,474 31.333,475 0.58,476 30.148,477 1.04,478 7.458,479 0.257,480 6.323,481 0.218,482 0.188,483 0.037,484 0.22,487 0.861,488 1.313,489 0.856,490 1.096,491 0.689,492 0.992,493 0.421,494 1.022,495 0.785,496 1.034,497 0.35,498 0.976,499 1.155,500 1.089,501 1.202,502 1.068,503 0.96,504 1.122,505 0.657,506 0.973,507 0.735,508 0.878,509 0.546,510 0.833,511 1.061,512 0.999,513 1.166,514 0.967,515 0.718,516 1.041,517 0.553,518 1.108,519 0.846,520 1.068,521 0.566,522 1.008,523 0.989,524 1.13,525 1.117,526 1.178,527 1.252,528 1.155,529 1.257,530 0.992,531 0.971,532 0.963,533 1.244,534 0.941,535 7,536 0.207,537 2.222,538 2.063,539 1.013,540 0.868,541 0.769,542 0.564,543 0.419,544 0.267,545 9350,546 28327,547 1.93,548 46.3,549 2,550 7,552 2,553 3,554 2,555 9,558 1.726,559 1.785,560 3.365,561 0.891,563 1,567 82.95,568 1.536,569 3.812,570 4.629,571 5.027,572 5.064,573 5.064,574 2.75,575 4.185,576 4.827,577 3.581,578 1453.89,579 8.445,580 20267.9,582 1,584 1,585 310.764,586 1.581,587 4.765,588 0.233,589 0.009,590 0.056,591 0.054,592 0.024,593 0.02,594 0.017,595 0.014,596 0.012,597 0.01,598 0.448,599 0.33,600 1,601 1.847,602 147.538,603 -0.087,604 -0.11,605 0.006,606 -0.008,607 -0.056,608 0.009,609 0.317,610 0.084,611 0.119,612 0.016,613 0.245,614 0.03,615 -0.233,616 -0.012,617 -0.258,618 -0.078,619 -0.197,620 -0.154,621 0.087,622 -0.018,623 0.23,624 0.129,625 0.099,626 0.184,627 -0.243,628 0.13,629 -0.235,630 0.012,631 -0.135,632 -0.082,633 0.047,634 -0.126,635 0.089,636 -0.041,637 0.05,638 0.02,639 -0.082,640 -0.1,641 -0.155,642 -0.203,643 -0.119,644 -0.184,646 -0.081,647 0.057,648 -0.003,649 -0.014,650 0.028,651 2.507,652 3.907,653 0.414,654 29.95,655 1,656 1.131,657 2.85,658 8.124,659 0.658,660 3.434,661 3.714,662 3.807,663 4.06,664 4.22,665 4.277,666 4.357,667 4.431,668 4.431,669 4.419,670 6.707,671 0.626,672 391.52,673 3.434,674 4.949,675 5.733,676 6.594,677 7.404,678 8.274,679 9.096,680 9.968,681 10.799,682 11.672,683 9.3,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 54,726 16,727 1,728 30,730 55,731 22,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 3,751 2,752 1,753 15,754 6,755 1,756 3,761 1,763 1,764 1,765 3,769 1,772 25,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 3,840 29,845 1,846 2,847 2,852 1,853 1,858 1,860 1,862 3.7,864 1,865 1,869 16.25,870 10.467,871 6.514,872 3.069,874 2.489,875 1.366,876 0.906,877 7.943,878 9.293,879 3.738,880 4.234,881 4.654,882 5.197,883 5.667,884 5.874,885 6.243,886 6.568,887 6.81,888 7.044,889 0.857,890 38,891 10.627,893 4.279,894 7.94,895 19.907,897 15.325,899 2.44,900 70.75,902 1,903 1,904 258.964,905 147.269,906 100.652,908 67.828,911 147.269,912 326.793,913 100.652,914 26.476,915 5.069,916 84.344,917 143.25,918 78.253,919 1.899,920 235.422,922 258.964,923 247.921,924 67.828,927 153.024,928 173.768,931 115.495,932 88.153,933 44.273,935 258.964,936 168.48,937 147.269,940 258.964,941 20.192,942 110.904,943 52.194,944 132.459,945 258.964,946 168.48,947 147.269,949 0.565,950 0.282,951 0.159,952 0.089,953 15,954 8,955 0.164,956 9,958 1,959 3.911,960 234.719,962 12,963 136.127,968 22.137,969 10.405,970 7.772,972 168.48,973 14.852,974 4.172,978 2.551,980 78.705,981 574.713,982 41,987 10.907,989 1.905,990 4.478,991 0.41,994 54,995 61.062,996 0.267,997 0.662,998 0.804,999 0.874,1000 0.88,1001 0.88,1002 4.963,1003 1.266,1004 5.733,1005 3.642,1006 4.394,1007 4.92,1008 2.745,1009 6.503,1010 4.337,1011 6.177,1012 1.176,1013 7.266,1014 2.766,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.038,1020 7.475,1021 1.023,1022 8.909,1023 2.577,1024 5.994,1025 6.993,1026 3.836,1027 10.496,1028 5.887,1029 8.801,1030 1,1031 10.618,1032 2.136,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.357,1038 10.153,1039 0.555,1040 12.369,1041 1.758,1042 7.898,1043 9.325,1044 5.275,1045 14.86,1046 7.748,1047 11.523,1048 -0.057,1049 14.148,1050 1.346,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.559,1056 12.909,1057 -0.336,1058 15.948,1059 -0.162,1060 9.963,1061 11.8,1062 6.873,1063 19.385,1064 9.772,1065 3.141,1066 -0.35,1067 17.762,1068 -0.617,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.741,1074 3.027,1075 10.235,1076 19.587,1077 -0.807,1078 12.117,1079 14.366,1080 8.533,1081 23.978,1082 11.883,1083 2.586,1084 10.191,1085 21.421,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.924,1092 2.241,1093 7.657,1094 23.262,1095 3.533,1096 14.318,1097 16.992,1098 10.218,1099 28.601,1100 14.04,1101 2.223,1102 6.465,1103 25.107,1104 3.375,1105 15.416,1106 18.237,1107 11.051,1108 30.911,1109 15.114,1110 1.949,1111 5.485,1112 26.957,1113 2.869,1114 16.546,1115 19.657,1116 11.913,1117 33.237,1118 16.221,1119 1.525,1120 5.176,1121 28.811,1122 2.707,1123 17.66,1124 20.952,1125 12.756,1126 35.554,1127 17.31,1128 9652,1129 16921,1130 19.068,1131 35.552,1132 45.449,1133 46.915,1134 44.526,1135 43.459,1136 43.422,1137 56.927,1138 10.181,1139 118.868,1140 42.127,1141 5.219,1142 5.922,1143 6.311,1144 5.14,1145 5.141,1146 6.988,1147 3.925,1148 17.041,1149 5.03,1150 17.752,1151 1.515,1152 1.564,1153 1.484,1154 1.449,1155 1.447,1156 1.898,1157 0.339,1158 3.962,1159 1.404,1160 4.011,1161 4.043,1162 3.96,1163 3.949,1164 7.474,1165 3.947,1166 3.824,1167 3.876,1168 3.761,1169 3.716,1170 6.826,1171 3.719,1172 3.746,1173 3.801,1174 3.652,1175 3.604,1176 6.351,1177 3.604,1178 3.652,1179 3.69,1180 3.55,1181 3.496,1182 4.929,1183 3.498,1184 3.442,1185 3.523,1186 3.357,1187 3.197,1188 4.802,1189 3.233,1190 3.285,1191 3.307,1192 3.216,1193 3.105,1194 4.626,1195 3.127,1196 3.05,1197 3.128,1198 2.973,1199 2.827,1200 4.233,1201 2.853,1202 2.891,1203 3.009,1204 2.745,1205 2.677,1206 4.114,1207 2.691,1208 0.146,1209 0.131,1210 0.217,1211 0.137,1212 0.105,1213 4.395,1214 0.133,1215 3.922,1216 0.078,1217 6.509,1218 0.341,1219 4.104,1220 0.101,1221 3.141,1222 3.988,1223 2.341,1224 10.235,1225 3.03,1226 1.977,1227 1.953,1228 2.071,1229 2.06,1230 1.236,1231 2.064,1232 1.797,1233 1.758,1234 1.967,1235 1.951,1236 1.139,1237 1.954,1238 1.727,1239 1.667,1240 1.907,1241 1.879,1242 1.055,1243 1.894,1244 1.619,1245 1.576,1246 1.83,1247 1.808,1248 0.93,1249 1.812,1250 1.337,1251 1.265,1252 1.464,1253 1.621,1254 0.505,1255 1.59,1256 1.21,1257 1.178,1258 1.417,1259 1.426,1260 0.469,1261 1.403,1262 0.963,1263 0.894,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.804,1270 1.381,1271 1.239,1272 0.354,1273 1.308,1274 4.111,1276 5.398,1278 6.855,1280 8.394,1282 9.979,1284 5.821,1289 8.956,1290 0.458,1291 5.706,1296 -0.36,1298 8.999,1299 1.894,1300 33.805,1301 82.95,1302 205.864,1303 249.97,1304 271.48,1305 273.48,1306 273.48,1307 70.716,1308 6.804,1309 110.4,1310 110.4,1311 12,1312 12.222,1313 4.087,1314 3.585,1315 65.053,1316 114,1317 110,1318 0.274,1319 216.778,1320 386.18,1321 520.698,1322 6978,1324 21.278,1325 0.734,1326 0.58,1327 21.278,1328 16.807,1329 13.781,1330 0.459,1331 0.308,1332 9.129,1333 13.307,1334 8.764,1335 7.417,1336 13.781,1337 9.231,1338 12.835,1339 0.321,1340 0.184,1341 12.835,1342 7.366,1343 8.268,1344 0.188,1345 0.085,1346 8.268,1347 3.737,1348 7.165,1349 0.126,1350 0.046,1351 7.165,1352 2.641,1353 5.396,1354 0.081,1355 0.025,1356 5.396,1357 1.681,1358 0.427,1359 85.938,1360 0.229,1361 27.484,1362 0.762,1363 140,1364 423.486,1365 152.893,1366 420.837,1367 557.53,1368 388,1369 154,1370 397.512,1371 163.985,1372 408.688,1373 574.54,1374 380,1375 6.398} {0 CHEMBL2111765,1 1.648,2 19.652,3 4.562,4 20.814,5 174.808,6 7.815,7 0.56,8 4.498,9 4.603,10 4.2,11 4.056,12 5.602,13 4.024,14 5.032,15 5.193,16 4.478,17 4.416,18 6.243,19 4.368,20 5.256,21 5.449,22 4.523,23 4.541,24 6.336,25 4.469,26 5.321,27 5.52,28 4.497,29 4.537,30 6.45,31 4.463,32 5.306,33 5.506,34 4.491,35 4.551,36 6.406,37 4.471,38 5.34,39 5.55,40 4.477,41 4.592,42 6.406,43 4.488,44 5.334,45 5.556,46 4.432,47 4.572,48 6.369,49 4.446,50 5.303,51 5.543,52 4.452,53 4.512,54 6.295,55 4.379,56 0.153,57 1.217,58 18.665,59 7.797,60 22.885,61 9.482,62 0.61,63 1.918,64 32.767,65 12.597,66 78.218,67 15.867,68 0.584,69 2.301,70 46.145,71 16.213,72 77.146,73 20.15,74 0.758,75 2.375,76 48.137,77 16.41,78 105.564,79 20.447,80 0.722,81 2.302,82 47.745,83 17.066,84 96.559,85 21.298,86 0.831,87 2.423,88 50.415,89 17.968,90 99.076,91 23.197,92 0.798,93 2.383,94 49.485,95 18.311,96 93.235,97 24.225,98 0.639,99 2.312,100 50.692,101 18.006,102 83.358,103 23.784,104 35,105 68,106 0.246,107 0.571,108 0.77,109 0.876,110 0.888,111 0.888,112 3.853,113 0.992,114 -3.97,115 -3.92,116 -3.72,118 41.5,119 2,120 3,124 4,140 11,141 4,142 1,143 4,144 1,150 1,153 1,154 1,157 1,162 1,168 14,171 3,172 13,175 2,177 1,180 13,185 1,186 17,191 4,194 8,197 2,198 21,203 4,206 9,209 1,210 16,215 2,218 14,221 2,222 10,225 1,227 1,229 19,233 4,234 6,237 2,239 1,242 18,246 2,247 6,250 1,252 1,255 15,258 4,259 15,262 1,264 3,267 10,270 5504,271 31.291,272 31.291,273 31.291,274 31.291,275 31.291,276 27.307,277 27.361,278 18.961,279 32.053,280 24.691,281 24.691,282 24.691,283 24.691,284 24.691,285 18.631,286 29.439,287 8.967,288 25.803,289 4.71,290 2.535,291 1.199,292 0.491,293 0.409,294 0.409,295 4.555,301 1945,302 5.244,305 132.027,306 698.285,309 244.784,313 3.187,314 52.151,317 0.5,318 0.5,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.49,325 100,326 904,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.698,333 2.443,334 12.407,335 3.074,336 4.62,337 4,338 6.726,339 4.123,340 3.182,341 4.568,342 2.373,343 10.951,344 2.994,345 4.39,346 3.681,347 6.508,348 4.012,349 3.026,350 3.985,351 0.522,352 10.223,353 2.981,354 3.916,355 3.287,356 5.556,357 3.515,358 2.523,359 3.477,360 0.522,361 7.348,362 2.502,363 3.887,364 2.986,365 5.486,366 3.469,367 2.478,368 3.441,369 0.286,370 7.286,371 2.455,372 3.655,373 2.696,374 5.27,375 3.35,376 2.373,377 2.969,379 6.345,380 2.297,381 3.547,382 2.665,383 5.048,384 3.078,385 2.123,386 2.842,388 6.066,389 2.031,390 3.481,391 2.242,392 5.029,393 3.04,394 2.063,395 2.825,397 5.859,398 2.006,399 3.18,400 2.142,401 4.814,402 2.728,403 1.777,404 2.467,406 5.048,407 1.685,408 3.072,409 1.861,410 4.728,411 2.693,412 1.733,413 2.294,415 4.792,416 1.658,417 3.017,418 1.828,419 4.137,420 2.568,421 1.599,422 2.188,424 3.862,425 1.542,426 2.83,427 1.751,428 3.75,429 2.483,430 1.509,431 1.984,433 3.333,434 1.467,435 2.794,436 1.688,437 3.622,438 2.289,439 1.354,440 1.839,442 2.936,443 1.263,444 2.675,445 1.538,446 3.569,447 2.225,448 1.269,449 1.741,451 2.726,452 1.213,453 2.517,454 1.389,455 3.515,456 2.175,457 1.194,458 1.5,460 2.58,461 1.163,462 21.9,463 0.476,464 1.008,465 0.022,466 61.5,467 1.337,468 32,469 0.696,470 29.5,471 0.641,472 42.305,473 0.92,474 49.5,475 0.604,476 55.278,477 1.202,478 12.141,479 0.264,480 10.194,481 0.222,482 0.091,483 0.038,484 0.247,487 0.604,488 1.358,489 0.793,490 1.224,491 0.623,492 0.991,493 0.815,494 1.112,495 0.888,496 0.978,497 0.591,498 0.944,499 1.139,500 1.101,501 1.104,502 1.055,503 0.958,504 0.974,505 1.362,506 1.033,507 1.114,508 1.003,509 1.394,510 1.024,511 1.261,512 1.002,513 1.042,514 0.971,515 1.175,516 0.978,517 0.919,518 0.974,519 1.074,520 1.038,521 0.942,522 1.042,523 0.748,524 0.976,525 0.977,526 1.027,527 0.889,528 1.076,529 0.71,530 0.993,531 0.901,532 1.019,533 0.766,534 0.991,535 8.5,536 0.322,537 5.111,538 3.201,539 1.853,540 1.504,541 0.799,542 0.589,543 0.65,544 0.553,545 44397,546 124484,547 2.075,548 43.9,549 2,550 19,552 4,553 1,554 5,555 5,558 1.831,559 1.964,560 4.169,561 -0.371,567 135.109,568 1.648,569 3.823,570 5.159,571 5.867,572 5.949,573 5.949,574 3.679,575 5.246,576 5.49,577 4.417,578 4571.79,579 9.728,580 95237.8,585 521.319,586 1.381,587 5.461,588 0.17,589 0.005,590 0.075,591 0.046,592 0.028,593 0.022,594 0.012,595 0.01,596 0.011,597 0.009,598 0.389,599 0.33,600 0.5,601 1.549,602 277.404,603 0.106,604 -0.173,605 0.17,606 -0.095,607 -0.075,608 -0.009,609 0.141,610 -0.013,611 0.041,612 0.025,613 0.196,614 0.01,615 -0.134,616 -0.051,617 -0.057,618 -0.014,619 -0.054,620 0.003,621 -0.197,622 -0.008,623 -0.123,624 -0.031,625 -0.145,626 -0.075,627 -0.151,628 -0.012,629 -0.055,630 0.029,631 -0.103,632 -0.001,633 0.002,634 0.029,635 -0.074,636 -0.018,637 -0.045,638 -0.045,639 0.083,641 -0.007,642 -0.018,643 -0.021,644 -0.062,645 0.082,646 -0.021,647 0.16,648 0.029,649 0.037,650 0.04,651 4.69,652 6.195,653 0.587,654 80.318,655 1.007,656 1.124,657 2.739,658 7.503,659 0.675,660 3.932,661 4.234,662 4.477,663 4.71,664 4.913,665 4.949,666 5.075,667 5.193,668 5.278,669 5.333,670 11.122,671 0.644,672 640.83,673 3.932,674 5.468,675 6.304,676 7.172,677 8.029,678 8.904,679 9.771,680 10.651,681 11.522,682 12.405,683 7.3,685 1,691 1,692 1,693 3,698 2,699 15,700 3,704 6,705 1,706 28,709 1,724 82,726 32,727 2,728 50,730 86,731 34,733 23,734 4,735 8,736 1,739 5,740 6,745 2,751 3,753 25,754 9,756 4,760 1,761 3,764 1,765 2,772 36,773 10,774 1,775 12,776 1,778 1,779 6,784 0.8,785 5,795 2,801 1,802 4,805 1,819 1,832 4,834 1,836 2,840 46,844 1,846 7,847 1,848 2,862 6.1,865 3,867 2,869 23.417,870 15.25,871 10.264,872 5.004,874 5.144,875 1.589,876 0.981,877 11.271,878 13.876,879 4.234,880 4.842,881 5.391,882 5.954,883 6.474,884 6.701,885 7.1,886 7.462,887 7.711,888 8.03,889 1,890 70,891 17.28,893 7.495,894 7.817,895 32.379,897 26.206,899 2.317,900 106.583,904 411.989,905 215.743,906 88.061,908 91.677,910 5.807,911 209.936,912 503.665,913 88.061,914 17.65,915 21,916 126.451,917 179.175,918 96.144,919 2.144,920 364.904,922 411.989,923 297.996,924 91.677,925 5.807,927 353.133,928 150.532,931 117.016,932 130.624,933 56.164,935 411.989,936 179.737,937 215.743,939 5.807,940 411.989,941 51.857,942 159.978,943 16.405,944 161.433,945 411.989,946 179.737,947 215.743,949 0.571,950 0.328,951 0.175,952 0.094,953 29,954 13,955 0.186,956 16,957 1,958 1.074,959 5.578,960 457.08,961 0.074,962 27,963 248.084,967 1,968 32.962,969 15.729,970 8.865,971 1.795,972 177.838,973 26.732,974 12.894,978 4.242,979 2.075,980 16.405,981 807.469,982 68,986 -3.774,987 37.94,990 4.385,991 0.343,994 82.578,995 92.185,996 0.259,997 0.601,998 0.811,999 0.923,1000 0.936,1001 0.936,1002 5.455,1003 2.063,1004 6.286,1005 6.066,1006 4.92,1007 5.531,1008 3.152,1009 7.096,1010 4.837,1011 6.673,1012 1.777,1013 7.846,1014 5.859,1015 4.511,1016 5.447,1017 2.243,1018 8.179,1019 4.369,1020 7.998,1021 1.733,1022 9.522,1023 5.048,1024 6.535,1025 7.809,1026 4.703,1027 11.236,1028 6.356,1029 9.37,1030 1.599,1031 11.273,1032 4.792,1033 7.004,1034 8.601,1035 4.269,1036 13.212,1037 6.739,1038 10.781,1039 1.509,1040 13.075,1041 3.862,1042 8.49,1043 10.444,1044 6.395,1045 15.841,1046 8.189,1047 12.221,1048 1.354,1049 14.915,1050 3.333,1051 9.358,1052 11.635,1053 6.158,1054 18.14,1055 8.96,1056 13.684,1057 1.269,1058 16.781,1059 2.936,1060 10.642,1061 13.282,1062 8.121,1063 20.655,1064 10.197,1065 3.377,1066 1.194,1067 18.668,1068 2.726,1069 11.69,1070 14.656,1071 7.992,1072 23.07,1073 11.148,1074 3.182,1075 12.407,1076 20.57,1077 2.58,1078 12.903,1079 16.226,1080 9.86,1081 25.559,1082 12.299,1083 3.026,1084 10.951,1085 22.485,1086 4.698,1087 14.029,1088 17.684,1089 9.802,1090 28.018,1091 13.332,1092 2.523,1093 10.223,1094 24.41,1095 4.568,1096 15.219,1097 19.226,1098 11.606,1099 30.504,1100 14.451,1101 2.478,1102 7.348,1103 26.344,1104 3.985,1105 16.379,1106 20.723,1107 11.599,1108 32.983,1109 15.522,1110 2.373,1111 7.286,1112 28.283,1113 3.477,1114 17.566,1115 22.255,1116 13.355,1117 35.473,1118 16.63,1119 2.123,1120 6.345,1121 30.228,1122 3.441,1123 18.743,1124 23.771,1125 13.391,1126 37.964,1127 17.718,1128 42017,1129 70584,1130 33.572,1131 55.375,1132 73.9,1133 77.576,1134 75.348,1135 73.548,1136 73.535,1137 99.195,1138 12.29,1139 206.472,1140 70.594,1141 5.765,1142 6.684,1143 7.122,1144 5.368,1145 5.377,1146 7.698,1147 4.816,1148 19.581,1149 5.074,1150 22.159,1151 1.478,1152 1.552,1153 1.507,1154 1.471,1155 1.471,1156 1.984,1157 0.246,1158 4.129,1159 1.412,1160 4.148,1161 4.182,1162 4.735,1163 4.087,1164 7.717,1165 4.04,1166 4.048,1167 4.055,1168 4.087,1169 3.943,1170 7.432,1171 3.938,1172 3.966,1173 3.98,1174 3.935,1175 3.908,1176 6.999,1177 3.895,1178 3.808,1179 3.847,1180 3.742,1181 3.717,1182 5.084,1183 3.719,1184 3.747,1185 3.789,1186 3.706,1187 3.583,1188 5.004,1189 3.578,1190 3.657,1191 3.66,1192 3.629,1193 3.577,1194 4.799,1195 3.517,1196 3.525,1197 3.578,1198 3.391,1199 3.293,1200 4.689,1201 3.299,1202 3.42,1203 3.49,1204 3.329,1205 3.239,1206 4.656,1207 3.246,1208 0.097,1209 0.094,1210 0.146,1211 0.086,1212 0.068,1213 4.845,1214 0.094,1215 4.684,1216 0.049,1217 7.293,1218 0.248,1219 4.295,1220 0.061,1221 3.377,1222 4.698,1223 2.443,1224 12.407,1225 3.074,1226 1.995,1227 1.992,1228 2.056,1229 2.079,1230 1.279,1231 2.101,1232 1.949,1233 1.926,1234 2.036,1235 2.042,1236 1.257,1237 2.043,1238 1.85,1239 1.82,1240 1.953,1241 1.972,1242 1.19,1243 1.975,1244 1.793,1245 1.757,1246 1.917,1247 1.913,1248 1.048,1249 1.923,1250 1.711,1251 1.662,1252 1.91,1253 1.904,1254 0.964,1255 1.911,1256 1.597,1257 1.578,1258 1.8,1259 1.794,1260 0.94,1261 1.798,1262 1.483,1263 1.424,1264 1.744,1265 1.742,1266 0.849,1267 1.758,1268 1.455,1269 1.418,1270 1.547,1271 1.642,1272 0.77,1273 1.667,1274 4.615,1276 5.922,1277 2.398,1278 7.419,1279 4.844,1280 9.003,1281 7.018,1282 10.634,1284 3.719,1290 2.95,1291 2.709,1292 10.573,1300 52.791,1301 135.109,1302 313.469,1303 423.001,1304 481.055,1305 487.809,1306 487.809,1307 108.11,1308 8.732,1309 137.66,1310 146.04,1311 29,1312 12.942,1313 5.044,1314 4.248,1315 79.627,1316 306,1317 354,1318 0.121,1319 327.91,1320 569.32,1321 791.86,1322 101905,1324 32.357,1325 0.703,1326 0.579,1327 32.607,1328 26.612,1329 22.336,1330 0.447,1331 0.331,1332 14.961,1333 20.64,1334 14.471,1335 12.025,1336 23.157,1337 16.529,1338 19.806,1339 0.291,1340 0.181,1341 21.129,1342 12.322,1343 16.128,1344 0.185,1345 0.1,1346 17.219,1347 8.662,1348 13.185,1349 0.12,1350 0.054,1351 14.049,1352 5.921,1353 10.534,1354 0.078,1355 0.03,1356 11.337,1357 4.09,1358 0.199,1359 148.537,1360 0.173,1361 41.23,1362 0.31,1363 236,1364 744.097,1365 296.674,1366 732.419,1367 994.63,1368 682,1369 273,1370 703.399,1371 340.247,1372 742.419,1373 1073.64,1374 697,1375 8.237} {0 CHEMBL2111862,1 1.874,2 10.577,3 3.601,4 12.966,5 87.375,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.159,13 3.352,14 4.368,15 4.515,16 3.901,17 3.637,18 6.145,19 3.658,20 4.55,21 4.746,22 3.836,23 3.712,24 5.841,25 3.71,26 4.574,27 4.777,28 3.837,29 3.625,30 5.935,31 3.661,32 4.495,33 4.668,34 3.85,35 3.596,36 5.879,37 3.655,38 4.505,39 4.674,40 3.833,41 3.641,42 5.978,43 3.654,44 4.526,45 4.732,46 3.81,47 3.658,48 6.011,49 3.622,50 4.492,51 4.724,52 3.627,53 3.571,54 5.777,55 3.534,56 0.281,57 0.802,58 6.17,59 3.909,60 45.126,61 4.069,62 1.027,63 1.509,64 13.975,65 6.115,66 173.83,67 6.732,68 0.798,69 1.276,70 19.397,71 7.181,72 103.784,73 8.681,74 1.039,75 1.309,76 21.541,77 6.751,78 142.845,79 7.493,80 0.919,81 1.234,82 18.197,83 6.016,84 113.575,85 6.231,86 1.053,87 1.25,88 17.664,89 6.209,90 117.124,91 6.973,92 1.081,93 1.256,94 19.262,95 6.951,96 100.229,97 9.034,98 0.756,99 1.347,100 19.399,101 7.257,102 106.417,103 8.803,104 36,105 36,106 0.33,107 0.682,108 0.832,109 0.897,110 0.897,111 0.897,112 3.304,113 0.859,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 5,141 2,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 1,186 8,191 1,194 4,195 1,197 1,198 10,203 1,206 2,209 1,210 7,211 1,218 3,221 2,222 5,223 1,225 1,229 5,233 1,234 3,237 1,242 6,247 3,255 6,256 1,259 2,260 1,264 1,267 3,268 3,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.497,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.229,289 3.518,290 1.524,291 0.675,292 0.304,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.434,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.199,331 3.327,332 4.031,333 3.825,334 11.708,335 3.01,336 4.287,337 3.999,338 6.494,339 3.938,340 2.982,341 3.669,342 2.373,343 10.157,344 2.762,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.216,358 2.235,359 2.71,361 5.184,362 2.138,363 3.252,364 2.347,365 4.601,366 2.772,367 1.837,368 2.489,370 4.714,371 1.701,372 2.806,373 1.92,374 4.097,375 2.603,376 1.655,377 1.918,379 3.696,380 1.553,381 2.788,382 1.726,383 3.709,384 2.314,385 1.372,386 1.818,388 3.224,389 1.279,390 2.574,391 1.454,392 3.498,393 2.146,394 1.185,395 1.603,397 2.629,398 1.129,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.942,412 1,413 1.441,415 2.136,416 0.939,417 1.932,418 1,419 3.041,420 1.619,421 0.673,422 0.816,424 1.556,425 0.63,426 1.234,427 0.814,428 2.73,429 1.091,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.515,444 0.744,445 0.51,446 2.288,447 0.315,448 -0.658,449 -0.876,451 -1.549,452 -0.638,453 0.625,454 0.504,455 2,456 0.183,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.901,473 0.765,474 29.843,475 0.711,476 26.46,477 1.018,478 6.637,479 0.255,480 5.739,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.646,492 0.976,493 0.506,494 0.803,495 0.739,496 1.064,497 0.388,498 1.041,499 0.766,500 0.905,501 0.82,502 1.016,503 0.666,504 0.977,505 1.167,506 1.054,507 1.016,508 0.921,509 1.052,510 0.887,511 1.218,512 1.012,513 1.026,514 0.919,515 0.975,516 0.878,517 0.894,518 0.851,519 1.079,520 0.98,521 0.846,522 1.089,523 0.421,524 0.812,525 0.816,526 1.039,527 0.472,528 1.123,529 0.823,530 1.237,531 0.954,532 1.251,533 0.846,534 1.196,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31911,547 1.943,548 38.1,549 2,550 7,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,563 1,567 78.726,568 1.874,569 3.868,570 4.717,571 5.089,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.082,608 -0.01,609 0.339,610 0.239,611 0.082,612 -0.021,613 0.421,614 -0.084,615 -0.06,616 -0.142,617 0.076,618 -0.038,619 -0.014,620 0.046,621 -0.202,622 -0.107,623 -0.033,624 0.033,625 -0.157,626 0.08,627 -0.265,628 -0.11,629 -0.105,630 0.022,631 -0.171,632 0.042,633 0.013,634 0.073,635 -0.188,636 -0.02,637 -0.055,638 -0.162,639 0.343,640 0.073,641 0.109,642 -0.054,643 0.208,644 -0.101,645 -0.033,646 -0.265,647 0.019,648 -0.237,649 -0.02,650 -0.13,651 5.732,652 4.946,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.428,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.034,893 4.616,894 8.542,895 17.097,897 13.186,899 3.042,900 79.083,903 1,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 47.381,917 128.608,918 102.293,920 153.024,921 7.76,922 176.567,923 150.768,924 123.927,927 153.024,928 147.47,931 59.778,932 57.419,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 24.99,942 65.047,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.898,973 8.894,974 7.778,978 -0.299,980 42.683,981 451.262,982 35,987 10.449,990 3.916,991 -0.768,994 43.894,995 48.464,996 0.348,997 0.717,998 0.875,999 0.944,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.173,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.7,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.649,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.992,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.441,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.171,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.405,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.322,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.464,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.47,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.575,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.622,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.714,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.781,1128 7498,1129 15840,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.758,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.067,1141 5.384,1142 6.46,1143 6.943,1144 5.27,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.01,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.373,1160 3.988,1161 4.018,1162 3.953,1163 3.906,1164 8.513,1165 3.91,1166 3.79,1167 3.837,1168 3.748,1169 3.641,1170 7.999,1171 3.659,1172 3.727,1173 3.775,1174 3.601,1175 3.567,1176 7.999,1177 3.563,1178 3.431,1179 3.46,1180 3.393,1181 3.155,1182 7.474,1183 3.194,1184 3.33,1185 3.369,1186 3.283,1187 3.067,1188 6.351,1189 3.104,1190 3.132,1191 3.182,1192 3.062,1193 2.909,1194 5.067,1195 2.934,1196 2.865,1197 2.915,1198 2.696,1199 2.593,1200 4.845,1201 2.594,1202 2.777,1203 2.859,1204 2.63,1205 2.55,1206 4.624,1207 2.583,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.199,1220 0.111,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.01,1226 1.939,1227 1.916,1228 2.023,1229 2.041,1230 1.276,1231 2.033,1232 1.728,1233 1.684,1234 1.948,1235 1.904,1236 1.133,1237 1.913,1238 1.701,1239 1.649,1240 1.826,1241 1.888,1242 0.81,1243 1.877,1244 1.304,1245 1.267,1246 1.554,1247 1.608,1248 0.768,1249 1.577,1250 1.158,1251 1.123,1252 1.246,1253 1.455,1254 0.316,1255 1.37,1256 1.024,1257 0.975,1258 1.202,1259 1.298,1260 0.251,1261 1.255,1262 0.763,1263 0.71,1264 1.085,1265 1.111,1266 0.208,1267 1.106,1268 0.758,1269 0.684,1270 1.052,1271 0.996,1272 0.02,1273 1.022,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.837,1289 8.573,1290 1.021,1292 5.165,1296 -4.482,1300 27.573,1301 78.726,1302 162.461,1303 198.113,1304 213.722,1305 213.722,1306 213.722,1307 80.08,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.286,1332 7.551,1333 11.582,1334 7.488,1335 6.177,1336 11.165,1337 7.735,1338 11.437,1339 0.318,1340 0.147,1341 9.479,1342 5.297,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.32,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.074,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.313,1358 0.42,1359 80.069,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.208,1366 536.865,1367 679.64,1368 494,1369 140,1370 459.449,1371 161.48,1372 439.405,1373 647.72,1374 410,1375 5} {0 CHEMBL2111947,1 1.188,2 8.261,3 3.423,4 11.716,5 94.498,6 5.635,8 4.097,9 4.238,10 3.449,11 3.661,12 4.823,13 3.578,14 4.772,15 4.972,16 3.881,17 4.202,18 5.393,19 4.079,20 5.21,21 5.445,22 4.084,23 4.522,24 5.827,25 4.359,26 5.463,27 5.736,28 4.044,29 4.642,30 6.024,31 4.426,32 5.544,33 5.874,34 3.769,35 4.528,36 6.035,37 4.256,38 5.3,39 5.648,40 3.495,41 4.213,42 5.808,43 3.943,44 4.906,45 5.223,46 3.235,47 3.907,48 5.464,49 3.658,50 4.703,51 5.039,52 2.984,53 3.624,54 5.256,55 3.37,56 0.078,57 0.794,58 14.898,59 6.412,60 5.527,61 9.104,62 0.144,63 1.437,64 27.825,65 12.082,66 9.302,67 17.145,68 0.231,69 2.083,70 41.692,71 17.924,72 19.663,73 25.484,74 0.278,75 2.529,76 51.609,77 21.699,78 25.731,79 31.359,80 0.333,81 2.469,82 52.96,83 21.179,84 29.212,85 31.154,86 0.303,87 1.827,88 40.802,89 15.904,90 27.385,91 23.324,92 0.201,93 1.303,94 28.36,95 11.063,96 18.065,97 16.237,98 0.173,99 1.017,100 22.752,101 8.555,102 15.859,103 12.669,104 10,105 44,106 0.2,107 0.453,108 0.734,109 0.868,110 0.896,111 0.896,112 3.191,113 1.126,114 -5.48,115 -5.36,116 -5.01,118 37.5,119 2,120 8,121 4,122 2,124 1,126 2,133 1,134 1,168 20,177 3,180 33,191 4,194 36,203 6,206 27,215 5,218 18,227 4,229 13,239 4,242 6,252 5,264 5,270 561,271 15.46,272 15.46,273 15.46,274 15.46,275 15.46,276 15.214,277 15.722,278 8.384,279 15.555,280 13.26,281 13.26,282 13.26,283 13.26,284 13.26,285 12.885,286 24.142,287 3.881,288 13.428,289 4.62,290 3.12,291 1.452,292 0.661,293 0.491,294 0.491,295 3.889,299 1,300 1,301 438,302 3.082,303 25.163,305 31.608,306 105.574,309 51.997,310 116.87,313 1.338,314 13.948,316 1,317 0.75,318 1,319 1,320 0.8,321 1,322 1,323 1,324 0.94,325 47.5,326 190,327 4.749,328 3.854,329 7.966,330 4.723,331 3.723,332 3.838,333 0.68,334 15.078,335 3.72,336 4.574,337 3.633,338 7.827,339 4.532,340 3.533,341 3.618,342 0.4,343 14.449,344 3.528,345 3.734,346 2.873,347 6.375,348 3.699,349 2.724,350 2.746,352 9.385,353 2.656,354 3.457,355 2.627,356 5.899,357 3.389,358 2.414,359 2.49,361 7.887,362 2.35,363 3.249,364 2.377,365 5.424,366 3.191,367 2.215,368 2.264,370 6.522,371 2.155,372 3.125,373 2.134,374 4.96,375 2.853,376 1.865,377 2.138,379 5.331,380 1.837,381 2.64,382 1.653,383 4.77,384 2.611,385 1.613,386 1.637,388 4.516,389 1.61,390 2.332,391 1.396,392 4.512,393 2.316,394 1.329,395 1.331,397 3.933,398 1.31,399 2.032,400 1.248,401 3.988,402 2.029,403 1.032,404 1.032,406 2.717,407 1.028,408 1.694,409 0.753,410 3.533,411 1.647,412 0.651,413 0.665,415 1.572,416 0.648,417 1.155,418 0.484,419 3.177,420 1.113,421 0.142,422 0.143,424 0.342,425 0.137,426 0.928,427 -0.026,428 2.992,429 0.867,430 -0.123,431 -0.125,433 -0.33,434 -0.122,435 0.807,436 -0.165,437 2.825,438 0.719,439 -0.263,440 -0.274,442 -0.738,443 -0.257,444 0.37,445 -0.408,446 2.782,447 0.264,448 -0.705,449 -0.73,451 -1.87,452 -0.676,453 0.179,454 -0.642,455 2.571,456 0.142,457 -0.833,458 -0.842,460 -2.245,461 -0.806,462 11.233,463 0.488,464 0.822,465 0.036,466 15.25,467 0.663,468 1,469 0.043,470 14.25,471 0.62,472 35.693,473 1.552,474 27.167,475 0.485,476 4.34,477 0.189,478 1.17,479 0.051,480 9.851,481 0.428,482 0.119,483 0.089,484 0.312,487 1.014,488 1.218,489 1.1,490 1.161,491 1.056,492 1.139,493 0.807,494 1.095,495 1.066,496 1.117,497 0.716,498 1.107,499 0.873,500 1.152,501 1.121,502 1.172,503 0.89,504 1.167,505 0.633,506 1.234,507 1.143,508 1.24,509 0.576,510 1.227,511 0.642,512 0.977,513 0.961,514 0.997,515 0.52,516 0.996,517 0.963,518 0.764,519 0.806,520 0.769,521 1.027,522 0.778,523 0.998,524 1.004,525 1,526 1.002,527 1.023,528 1.001,529 1.069,530 0.926,531 0.864,532 0.879,533 1.148,534 0.864,535 6.5,536 0.038,537 4.944,538 2.944,539 2.246,540 0.868,541 0.619,542 0.293,543 0.209,544 0.05,545 5397,546 7776,547 2.196,548 58.9,549 21,550 5,553 2,555 5,558 1.662,559 2.029,560 2.996,561 0.15,563 1,567 66.508,568 1.188,569 2.687,570 4.356,571 5.146,572 5.316,573 5.316,574 2.525,575 4.263,576 4.494,577 3.098,578 783.829,579 7.764,580 8159.75,582 1,584 1,585 325.212,586 1.721,587 4.435,588 0.241,589 0.013,590 0.121,591 0.061,592 0.053,593 0.03,594 0.027,595 0.017,596 0.016,597 0.006,598 0.585,599 0.67,600 0.75,601 0.58,602 103.389,603 -0.041,604 0.11,605 0.079,606 0.124,607 -0.116,608 0.111,609 -0.038,610 0.104,611 0.023,612 0.07,613 -0.006,614 0.055,615 -0.062,616 -0.043,617 -0.078,618 -0.05,619 -0.029,620 -0.064,621 -0.03,622 -0.195,623 -0.158,624 -0.189,625 -0.014,626 -0.184,627 0.008,628 -0.05,629 -0.039,630 -0.064,631 0.024,632 -0.055,633 0.006,634 0.098,635 0.108,636 0.118,637 -0.016,638 0.119,639 -0.022,640 -0.071,641 -0.046,642 -0.065,643 -0.039,644 -0.058,645 0.039,646 -0.043,647 0.073,648 0.013,649 -0.004,650 0.039,651 1.406,652 4.105,653 0.87,654 15.399,655 0.974,656 1.131,657 4.254,658 18.094,659 0.619,660 3.332,661 3.807,662 4.174,663 4.522,664 4.812,665 4.997,666 5.22,667 5.425,668 5.561,669 5.572,670 4.748,671 0.557,672 315.55,673 3.332,674 4.963,675 5.9,676 6.864,677 7.816,678 8.783,679 9.741,680 10.709,681 11.67,682 12.638,683 1.8,685 1,724 56,725 1,726 1,728 27,730 60,731 21,739 5,740 11,745 2,746 2,747 2,748 10,749 4,751 10,753 2,754 19,755 4,756 1,763 1,765 1,769 1,772 33,773 2,774 2,775 2,779 1,784 0.4,785 1,787 1,799 1,801 1,802 3,805 1,806 2,822 1,823 1,826 1,830 1,832 2,836 2,840 23,845 1,846 9,847 1,850 6,852 2,862 1.8,863 1,869 11.333,870 10.033,871 4.667,872 3.963,874 0.412,875 1.052,876 0.917,877 3.155,878 8.289,879 3.367,880 3.871,881 4.277,882 4.654,883 4.977,884 5.209,885 5.481,886 5.737,887 5.935,888 5.991,889 0.833,890 48,891 8.69,893 4.013,894 7.246,895 18.27,897 18.117,899 1.746,900 40.167,901 0.004,903 1,904 364.904,905 52.694,906 18.011,908 42.683,911 52.694,912 407.588,913 18.011,914 17.65,915 22.382,916 70.17,918 3.186,920 364.904,922 364.904,923 70.705,924 42.683,927 306.049,928 58.856,929 42.683,931 58.043,932 3.186,933 9.476,935 364.904,936 60.694,937 52.694,940 364.904,941 25.568,942 27.127,943 18.011,944 42.683,945 364.904,946 60.694,947 52.694,949 0.622,950 0.373,951 0.203,952 0.11,953 28,954 11,955 0.017,956 1,957 3,958 1.3,959 3.41,960 217.22,961 0.3,962 20,963 104.042,968 14.96,969 4.851,970 2.066,972 60.694,980 60.694,981 478.292,982 28,989 2.567,991 1.611,994 54.567,995 63.351,996 0.205,997 0.463,998 0.75,999 0.886,1000 0.915,1001 0.915,1002 4.779,1003 1.329,1004 5.994,1005 4.516,1006 4.489,1007 4.554,1008 0.809,1009 7.024,1010 4.468,1011 6.001,1012 1.032,1013 7.708,1014 3.933,1015 4.575,1016 4.635,1018 8.632,1019 4.544,1020 7.38,1021 0.651,1022 9.543,1023 2.717,1024 6.385,1025 6.515,1026 0.391,1027 11.774,1028 6.357,1029 8.786,1030 0.142,1031 11.451,1032 1.572,1033 7.238,1034 7.353,1036 14.142,1037 7.209,1038 10.231,1039 -0.123,1040 13.407,1041 0.342,1042 8.663,1043 8.843,1044 0.187,1045 16.951,1046 8.636,1047 11.7,1048 -0.263,1049 15.395,1050 -0.33,1051 9.8,1052 9.977,1054 19.548,1055 9.776,1056 13.188,1057 -0.705,1058 17.404,1059 -0.738,1060 11.122,1061 11.351,1062 0.089,1063 22.275,1064 11.099,1065 3.723,1066 -0.833,1067 19.428,1068 -1.87,1069 12.36,1070 12.6,1072 24.941,1073 12.34,1074 3.533,1075 15.078,1076 21.463,1077 -2.245,1078 13.657,1079 13.939,1080 0.042,1081 27.646,1082 13.638,1083 2.724,1084 14.449,1085 23.507,1086 3.838,1087 14.931,1088 15.233,1090 30.333,1091 14.913,1092 2.414,1093 9.385,1094 25.556,1095 3.618,1096 16.225,1097 16.563,1098 0.019,1099 33.033,1100 16.207,1101 2.215,1102 7.887,1103 27.609,1104 2.746,1105 17.513,1106 17.876,1108 35.727,1109 17.495,1110 1.865,1111 6.522,1112 29.666,1113 2.49,1114 18.808,1115 19.204,1116 0.009,1117 38.425,1118 18.79,1119 1.613,1120 5.331,1121 31.726,1122 2.264,1123 20.102,1124 20.526,1126 41.123,1127 20.084,1128 4954,1129 5947,1130 18.087,1131 34.643,1132 42.67,1133 43.049,1134 45.323,1135 42.527,1136 42.484,1137 43.803,1138 2.16,1139 143.465,1140 41.959,1141 5.749,1142 5.854,1143 7.226,1144 5.741,1145 5.723,1146 6.318,1147 1.36,1148 23.855,1149 5.72,1150 9.789,1151 1.58,1152 1.594,1153 1.679,1154 1.575,1155 1.573,1156 1.622,1157 0.08,1158 5.314,1159 1.554,1160 4.128,1161 4.168,1162 4.036,1163 4.056,1164 6.449,1165 4.046,1166 3.925,1167 3.972,1168 3.828,1169 3.829,1170 4.572,1171 3.823,1172 3.703,1173 3.769,1174 3.577,1175 3.542,1176 4.45,1177 3.542,1178 3.468,1179 3.531,1180 3.317,1181 3.314,1182 4.206,1183 3.305,1184 3.397,1185 3.468,1186 3.222,1187 3.273,1188 3.896,1189 3.252,1190 3.257,1191 3.338,1192 3.05,1193 3.099,1194 3.77,1195 3.076,1196 3.11,1197 3.203,1198 2.9,1199 2.943,1200 3.712,1201 2.921,1202 3.016,1203 3.112,1204 2.764,1205 2.84,1206 3.601,1207 2.809,1208 0.176,1209 0.143,1210 0.295,1211 0.175,1212 0.138,1213 4.749,1214 0.142,1215 3.854,1216 0.025,1217 7.966,1218 0.558,1219 4.723,1220 0.138,1221 3.723,1222 3.838,1223 0.68,1224 15.078,1225 3.72,1226 2.054,1227 2.022,1228 2.203,1229 2.147,1230 1.66,1231 2.167,1232 1.799,1233 1.758,1234 1.989,1235 1.924,1236 1.402,1237 1.948,1238 1.642,1239 1.588,1240 1.878,1241 1.791,1242 1.292,1243 1.823,1244 1.422,1245 1.362,1246 1.693,1247 1.607,1248 1.019,1249 1.638,1250 1.377,1251 1.313,1252 1.659,1253 1.552,1254 0.972,1255 1.593,1256 1.196,1257 1.113,1258 1.55,1259 1.418,1260 0.817,1261 1.467,1262 1.102,1263 1.013,1264 1.46,1265 1.328,1266 0.696,1267 1.378,1268 1.036,1269 0.943,1270 1.405,1271 1.286,1272 0.675,1273 1.328,1274 4.007,1275 1.946,1276 5.442,1277 3.932,1278 7.096,1279 5.9,1280 8.85,1281 7.863,1282 10.657,1284 5.177,1289 10.105,1290 11.602,1291 3.624,1294 4.476,1296 1.005,1300 31.165,1301 66.508,1302 150.495,1303 243.928,1304 288.192,1305 297.702,1306 297.702,1307 36.008,1308 7.877,1309 42.17,1310 42.17,1311 26,1312 13.117,1313 1,1314 1,1315 28.495,1316 67,1317 68,1318 0.225,1319 183.106,1320 327.21,1321 438.538,1322 25892,1324 15.82,1325 0.688,1326 0.646,1327 15.82,1328 14.853,1329 11.022,1330 0.408,1331 0.375,1332 10.093,1333 10.885,1334 9.782,1335 7.965,1336 11.022,1337 10.132,1338 11.102,1339 0.252,1340 0.225,1341 11.102,1342 9.899,1343 9.904,1344 0.155,1345 0.139,1346 9.904,1347 8.873,1348 8.69,1349 0.095,1350 0.084,1351 8.69,1352 7.628,1353 7.312,1354 0.06,1355 0.05,1356 7.312,1357 6.077,1358 0.334,1359 67.161,1360 0.235,1361 21.686,1362 0.68,1363 142,1364 200.483,1365 145.824,1366 199.997,1367 288.59,1368 190,1369 182,1370 221.681,1371 185.687,1372 228.76,1373 346.46,1374 218,1375 5.398} {0 CHEMBL2112933,1 1.523,2 11.813,3 3.19,4 10.178,5 124.759,6 7.348,7 0.353,8 4.153,9 4.262,10 3.681,11 3.694,12 5.347,13 3.671,14 4.625,15 4.794,16 4.012,17 4.03,18 5.824,19 3.987,20 4.891,21 5.092,22 4.026,23 4.165,24 6.073,25 4.084,26 4.955,27 5.199,28 4.019,29 4.198,30 5.959,31 4.101,32 4.898,33 5.074,34 4.14,35 4.251,36 6.046,37 4.184,38 5.066,39 5.27,40 4.106,41 4.278,42 6.209,43 4.198,44 5.048,45 5.274,46 4.033,47 4.233,48 6.129,49 4.136,50 4.975,51 5.209,52 3.994,53 4.162,54 6.078,55 4.065,56 0.074,57 0.806,58 12.083,59 5.571,60 19.262,61 7.014,62 0.193,63 1.255,64 20.905,65 8.581,66 48.274,67 11.656,68 0.521,69 1.562,70 29.135,71 10.596,72 82.927,73 14.595,74 0.436,75 1.58,76 32.626,77 12.251,78 75.422,79 17.206,80 0.192,81 1.598,82 27.946,83 11.459,84 46.94,85 15.303,86 0.506,87 1.792,88 35.541,89 12.234,90 88.969,91 16.45,92 0.484,93 1.711,94 35.755,95 12.795,96 85.659,97 17.426,98 0.266,99 1.595,100 32.759,101 12.241,102 56.324,103 17.041,104 61,105 48,106 0.247,107 0.605,108 0.757,109 0.829,110 0.84,111 0.846,112 3.502,113 0.918,114 -3.42,115 -3.4,116 -3.25,118 42.4,119 3,120 3,129 1,133 1,134 1,136 2,140 6,141 2,142 1,143 2,152 2,154 1,163 1,167 1,168 12,169 1,172 8,175 1,177 1,180 17,181 1,185 1,186 5,189 2,190 1,191 1,194 14,195 1,198 5,201 2,203 1,206 13,207 1,210 11,215 6,218 12,219 1,222 7,227 8,229 8,230 2,233 1,234 8,239 6,242 10,243 3,247 6,248 1,252 7,255 7,256 2,258 1,259 4,260 1,262 1,264 6,267 6,268 1,270 1924,271 20.775,272 20.775,273 20.775,274 20.775,275 20.775,276 18.295,277 21.759,278 12.339,279 21.011,280 16.805,281 16.805,282 16.805,283 16.805,284 16.805,285 13.06,286 32.044,287 5.913,288 17.239,289 4.36,290 2.151,291 1.213,292 0.768,293 0.7,294 0.666,295 4.176,299 1,300 1,301 780,302 4.637,304 86.683,306 238.137,313 1.836,314 37.977,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 69.5,326 378,327 4.7,328 3.646,329 6.983,330 4.309,331 3.351,332 4.242,333 2.341,334 11.77,335 3.206,336 4.389,337 3.596,338 6.508,339 4.027,340 3.038,341 3.978,342 0.6,343 10.223,344 3.018,345 4.103,346 3.186,347 6.382,348 3.986,349 3.008,350 3.488,351 0.6,352 9.912,353 2.925,354 3.913,355 3.045,356 5.512,357 3.475,358 2.497,359 3.168,361 7.37,362 2.444,363 3.553,364 2.638,365 5.119,366 3.237,367 2.232,368 2.88,370 5.968,371 2.219,372 3.508,373 2.176,374 4.877,375 3.037,376 2.064,377 2.709,379 5.184,380 2.007,381 3.129,382 1.952,383 4.779,384 2.617,385 1.639,386 2.3,388 4.557,389 1.601,390 2.945,391 1.929,392 4.659,393 2.403,394 1.452,395 1.969,397 4.419,398 1.387,399 2.798,400 1.75,401 4.115,402 2.382,403 1.426,404 1.835,406 3.677,407 1.342,408 2.715,409 1.464,410 3.564,411 2.32,412 1.362,413 1.717,415 2.946,416 1.298,417 2.615,418 1.212,419 3.498,420 2.154,421 1.166,422 1.635,424 2.608,425 1.15,426 2.5,427 1.102,428 3.265,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.204,436 1,437 3.247,438 1.801,439 0.804,440 1.061,442 1.923,443 0.799,444 1.585,445 0.959,446 3.221,447 1.146,448 0.262,449 0.327,451 0.665,452 0.229,453 1.295,454 0.584,455 2.887,456 1.122,457 0.122,458 0.136,460 0.278,461 0.121,462 15.033,463 0.47,464 1.018,465 0.032,466 39.5,467 1.234,468 20,469 0.625,470 19.5,471 0.609,472 30.09,473 0.94,474 34.767,475 0.589,476 32.655,477 1.02,478 7.723,479 0.241,480 7.431,481 0.232,482 0.188,483 0.033,484 0.299,487 0.885,488 1.19,489 0.846,490 1.035,491 0.89,492 0.954,493 0.562,494 1.239,495 0.748,496 1.054,497 0.477,498 0.949,499 0.801,500 1.025,501 1.072,502 1.033,503 0.791,504 1.079,505 0.638,506 0.8,507 0.756,508 0.785,509 0.669,510 0.792,511 0.817,512 1.262,513 0.987,514 1.195,515 0.754,516 1.133,517 1.287,518 1.058,519 1.216,520 1.042,521 1.137,522 1.094,523 1.067,524 0.961,525 1.047,526 0.976,527 1.008,528 1.003,529 0.764,530 1.082,531 0.896,532 1.093,533 0.722,534 1.025,535 7.5,536 0.301,537 3.333,538 2.938,539 1.756,540 1.069,541 0.669,542 0.648,543 0.534,544 0.437,545 13102,546 38343,547 1.968,548 45.8,549 4,550 7,552 2,553 3,554 2,555 9,558 1.75,559 1.803,560 3.532,561 0.822,563 1,567 89.843,568 1.523,569 3.732,570 4.67,571 5.115,572 5.183,573 5.217,574 2.951,575 4.351,576 4.969,577 3.735,578 1852.45,579 8.722,580 27647.9,582 1,585 347.076,586 1.663,587 4.899,588 0.221,589 0.009,590 0.072,591 0.067,592 0.038,593 0.021,594 0.014,595 0.015,596 0.013,597 0.011,598 0.482,599 0.33,600 1,601 1.605,602 168.552,603 -0.101,604 -0.035,605 -0.002,606 0.057,607 -0.137,608 0.043,609 0.126,610 -0.134,611 0.138,612 -0.014,613 0.168,614 0.051,615 0.055,616 0.059,617 -0.134,618 -0.049,619 0.007,620 -0.112,621 0.071,622 0.176,623 0.199,624 0.224,625 0.021,626 0.231,627 -0.059,628 -0.19,629 -0.089,630 -0.157,631 -0.022,632 -0.134,633 -0.228,634 -0.008,635 -0.244,636 -0.074,637 -0.175,638 -0.143,639 -0.114,640 0.028,641 -0.071,642 0.01,643 -0.112,644 -0.018,645 0.01,646 -0.102,647 0.061,648 -0.092,649 0.049,650 -0.016,651 2.483,652 4.1,653 0.5,654 35.133,655 1.004,656 1.124,657 2.185,658 4.776,659 0.661,660 3.555,661 3.892,662 4.078,663 4.304,664 4.5,665 4.543,666 4.635,667 4.736,668 4.836,669 4.89,670 7.3,671 0.631,672 433.55,673 3.555,674 5.106,675 5.932,676 6.821,677 7.677,678 8.573,679 9.445,680 10.345,681 11.227,682 12.129,683 5.1,692 2,693 1,699 8,700 1,704 3,706 12,724 59,726 17,727 1,728 34,730 61,731 25,733 11,734 2,735 4,736 6,739 3,740 3,745 3,751 3,753 18,754 7,755 1,756 5,761 1,763 1,764 2,765 6,769 1,772 27,773 7,774 3,775 7,779 3,784 1,785 4,795 1,800 1,802 2,812 2,818 1,822 3,823 1,830 3,832 3,836 3,840 32,845 3,846 3,852 1,862 6.8,864 3,865 1,869 17.75,870 11.367,871 6.958,872 3.469,874 3.364,875 1.456,876 0.897,877 7.268,878 10.748,879 3.829,880 4.407,881 4.934,882 5.452,883 5.973,884 6.229,885 6.67,886 7.058,887 7.457,888 7.78,889 0.875,890 44,891 11.83,893 5.008,894 7.961,895 22.135,897 17.791,899 2.461,900 78.75,903 1,904 282.506,905 137.245,906 50.357,908 153.195,911 137.245,912 435.701,913 50.357,914 26.476,915 7.604,916 66.334,917 199.946,918 63.979,920 258.964,922 282.506,923 187.601,924 153.195,927 176.567,928 259.135,931 85.745,932 75.594,933 26.262,935 282.506,936 203.552,937 137.245,940 282.506,941 26.34,942 110.904,944 203.552,945 282.506,946 203.552,947 137.245,949 0.584,950 0.309,951 0.163,952 0.094,953 21,954 11,955 0.131,956 8,958 1,959 4.206,960 280.101,962 16,963 155.245,968 23.43,969 9.926,970 6.155,972 203.552,973 14.727,974 4.198,978 2.39,980 128.05,981 623.303,982 45,987 10.831,989 2.005,990 8.958,991 0.133,994 59.218,995 66.315,996 0.259,997 0.634,998 0.794,999 0.87,1000 0.881,1001 0.887,1002 5.081,1003 1.452,1004 5.958,1005 4.557,1006 4.575,1007 5.094,1008 2.398,1009 6.795,1010 4.522,1011 6.318,1012 1.426,1013 7.538,1014 4.419,1015 4.369,1016 4.924,1017 2.243,1018 7.91,1019 4.287,1020 7.648,1021 1.362,1022 9.228,1023 3.677,1024 6.248,1025 7.264,1026 3.642,1027 10.97,1028 6.145,1029 9.015,1030 1.166,1031 10.983,1032 2.946,1033 6.836,1034 7.878,1035 4.112,1036 12.876,1037 6.694,1038 10.414,1039 1,1040 12.779,1041 2.608,1042 8.255,1043 9.726,1044 5.202,1045 15.527,1046 8.093,1047 11.837,1048 0.804,1049 14.604,1050 2.136,1051 9.177,1052 10.723,1053 5.889,1054 17.731,1055 8.971,1056 13.28,1057 0.262,1058 16.45,1059 1.923,1060 10.432,1061 12.349,1062 6.849,1063 20.245,1064 10.201,1065 3.351,1066 0.122,1067 18.311,1068 0.665,1069 11.497,1070 13.548,1071 7.625,1072 22.572,1073 11.222,1074 3.038,1075 11.77,1076 20.184,1077 0.278,1078 12.694,1079 15.067,1080 8.526,1081 25.037,1082 12.388,1083 3.008,1084 10.223,1085 22.066,1086 4.242,1087 13.821,1088 16.372,1089 9.342,1090 27.422,1091 13.472,1092 2.497,1093 9.912,1094 23.956,1095 3.978,1096 15,1097 17.84,1098 10.216,1099 29.87,1100 14.615,1101 2.232,1102 7.37,1103 25.851,1104 3.488,1105 16.156,1106 19.202,1107 11.051,1108 32.284,1109 15.727,1110 2.064,1111 5.968,1112 27.752,1113 3.168,1114 17.333,1115 20.647,1116 11.912,1117 34.73,1118 16.865,1119 1.639,1120 5.184,1121 29.656,1122 2.88,1123 18.502,1124 22.039,1125 12.755,1126 37.161,1127 17.991,1128 13104,1129 22544,1130 21.671,1131 38.972,1132 52.253,1133 52.634,1134 52.526,1135 50.832,1136 50.845,1137 65.892,1138 7.082,1139 147.268,1140 49.398,1141 5.559,1142 5.646,1143 6.785,1144 5.345,1145 5.351,1146 7.242,1147 3.925,1148 19.77,1149 5.206,1150 20.422,1151 1.537,1152 1.548,1153 1.545,1154 1.495,1155 1.495,1156 1.938,1157 0.208,1158 4.331,1159 1.453,1160 4.035,1161 4.062,1162 3.996,1163 3.963,1164 7.474,1165 3.965,1166 3.906,1167 3.935,1168 3.869,1169 3.794,1170 6.539,1171 3.811,1172 3.778,1173 3.819,1174 3.712,1175 3.688,1176 6.391,1177 3.689,1178 3.696,1179 3.741,1180 3.579,1181 3.55,1182 6.351,1183 3.545,1184 3.614,1185 3.66,1186 3.485,1187 3.485,1188 4.936,1189 3.477,1190 3.381,1191 3.407,1192 3.294,1193 3.219,1194 4.835,1195 3.229,1196 3.043,1197 3.078,1198 2.932,1199 2.843,1200 4.632,1201 2.859,1202 2.923,1203 3.009,1204 2.824,1205 2.767,1206 4.329,1207 2.769,1208 0.138,1209 0.107,1210 0.205,1211 0.127,1212 0.099,1213 4.7,1214 0.125,1215 3.646,1216 0.069,1217 6.983,1218 0.346,1219 4.309,1220 0.094,1221 3.351,1222 4.242,1223 2.341,1224 11.77,1225 3.206,1226 1.985,1227 1.962,1228 2.076,1229 2.072,1230 1.283,1231 2.072,1232 1.858,1233 1.831,1234 1.986,1235 1.997,1236 1.158,1237 1.991,1238 1.764,1239 1.727,1240 1.921,1241 1.887,1242 1.118,1243 1.9,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.949,1249 1.868,1250 1.604,1251 1.56,1252 1.731,1253 1.763,1254 0.849,1255 1.763,1256 1.325,1257 1.293,1258 1.525,1259 1.533,1260 0.669,1261 1.522,1262 0.982,1263 0.944,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.837,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.234,1276 5.595,1278 7.146,1280 8.783,1282 10.47,1284 5.697,1289 28.996,1290 1.246,1296 -0.432,1300 37.245,1301 89.843,1302 220.169,1303 275.527,1304 301.792,1305 305.792,1306 307.792,1307 84.443,1308 7.384,1309 115.37,1310 115.37,1311 16,1312 12.654,1313 4.17,1314 3.585,1315 60.896,1316 138,1317 144,1318 0.212,1319 232.565,1320 421.3,1321 559.219,1322 15273,1324 23.303,1325 0.728,1326 0.575,1327 23.303,1328 18.409,1329 15.154,1330 0.446,1331 0.306,1332 10.295,1333 14.677,1334 9.918,1335 8.321,1336 15.154,1337 10.402,1338 14.579,1339 0.304,1340 0.177,1341 14.579,1342 8.485,1343 10.437,1344 0.18,1345 0.08,1346 10.437,1347 4.658,1348 8.409,1349 0.115,1350 0.043,1351 8.409,1352 3.167,1353 6.844,1354 0.077,1355 0.024,1356 6.844,1357 2.114,1358 0.333,1359 94.521,1360 0.215,1361 29.902,1362 0.581,1363 164,1364 489.12,1365 178.464,1366 478.545,1367 641.28,1368 442,1369 188,1370 464.474,1371 201.553,1372 474.592,1373 686.09,1374 444,1375 6.638} {0 CHEMBL2115518,1 1.462,2 14.457,3 4.464,4 19.926,5 140.848,6 7.419,7 0.474,8 4.259,9 4.357,10 3.896,11 3.886,12 5.325,13 3.822,14 4.801,15 4.945,16 4.181,17 4.286,18 5.861,19 4.185,20 5.114,21 5.314,22 4.251,23 4.418,24 6.059,25 4.289,26 5.169,27 5.388,28 4.231,29 4.42,30 6.128,31 4.273,32 5.187,33 5.412,34 4.205,35 4.428,36 6.129,37 4.277,38 5.178,39 5.417,40 4.142,41 4.392,42 6.096,43 4.239,44 5.118,45 5.351,46 4.089,47 4.347,48 6.029,49 4.187,50 5.094,51 5.333,52 4.031,53 4.29,54 6.01,55 4.139,56 0.059,57 0.849,58 15.285,59 7.068,60 14.144,61 8.591,62 0.236,63 1.434,64 28.748,65 12.311,66 48.093,67 15.026,68 0.352,69 1.866,70 41.477,71 16.356,72 67.775,73 20.331,74 0.497,75 1.975,76 46.354,77 17.411,78 79.734,79 21.762,80 0.417,81 2.016,82 47.066,83 17.918,84 77.531,85 22.473,86 0.445,87 1.982,88 44.705,89 17.085,90 75.749,91 22.066,92 0.32,93 1.872,94 42.65,95 16.602,96 66.839,97 21.187,98 0.412,99 1.809,100 42.935,101 15.917,102 72.833,103 20.115,104 17,105 50,106 0.231,107 0.552,108 0.75,109 0.854,110 0.886,111 0.886,112 3.588,113 1.058,114 -4.6,115 -4.52,116 -4.26,118 43.9,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 5,175 1,177 1,180 23,181 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,209 1,210 7,215 1,218 16,219 1,221 1,222 7,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 9,252 1,255 15,259 6,260 1,267 16,268 1,270 2823,271 24.018,272 24.018,273 24.018,274 24.018,275 24.018,276 21.283,277 16.887,278 14.817,279 24.464,280 18.819,281 18.819,282 18.819,283 18.819,284 18.819,285 14.847,286 15.182,287 7.11,288 19.506,289 4.583,290 2.546,291 1.289,292 0.629,293 0.424,294 0.424,295 4.286,300 1,301 1080,302 3.873,305 113.193,306 388.163,313 2.211,314 34.925,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 74.5,326 506,327 4.37,328 4.866,329 6.907,330 4.179,331 3.249,332 3.889,333 3.272,334 11.589,335 3.025,336 4.244,337 3.597,338 6.143,339 3.869,340 2.87,341 3.684,342 2.341,343 9.054,344 2.867,345 3.813,346 3.075,347 5.784,348 3.473,349 2.506,350 3.304,351 1.151,352 7.806,353 2.428,354 3.726,355 2.993,356 5.323,357 3.369,358 2.38,359 3.07,361 6.893,362 2.347,363 3.559,364 2.842,365 5.012,366 3.241,367 2.235,368 2.722,370 5.524,371 2.222,372 3.304,373 2.567,374 4.66,375 2.865,376 1.97,377 2.592,379 5.184,380 1.819,381 3.25,382 2.209,383 4.649,384 2.829,385 1.844,386 2.353,388 4.718,389 1.777,390 3.137,391 2.124,392 4.442,393 2.727,394 1.758,395 2.196,397 4.47,398 1.653,399 2.94,400 1.878,401 3.795,402 2.536,403 1.581,404 2.063,406 3.416,407 1.484,408 2.661,409 1.669,410 3.622,411 2.281,412 1.323,413 1.726,415 2.947,416 1.257,417 2.543,418 1.415,419 3.51,420 2.165,421 1.17,422 1.541,424 2.715,425 1.163,426 2.5,427 1.373,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.156,437 3.319,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1,446 3.247,447 1.959,448 1,449 1.5,451 2.136,452 0.956,453 2.072,454 1,455 3.247,456 1.946,457 0.963,458 1.026,460 2.097,461 0.94,462 17.067,463 0.488,464 0.644,465 0.018,466 42.75,467 1.221,468 22,469 0.629,470 20.75,471 0.593,472 33.035,473 0.944,474 37.533,475 0.569,476 33.08,477 0.945,478 8.248,479 0.236,480 8.866,481 0.253,482 0.059,484 0.283,487 0.672,488 1.084,489 0.83,490 1.042,491 0.662,492 0.955,493 0.77,494 1.139,495 1.149,496 1.181,497 0.536,498 1.111,499 1.065,500 1.058,501 1.056,502 1.072,503 1.015,504 1.062,505 1.003,506 1.011,507 1.121,508 1.065,509 0.824,510 1.019,511 0.949,512 1.037,513 1.128,514 1.082,515 0.83,516 1.026,517 0.945,518 0.917,519 0.975,520 0.932,521 0.885,522 0.971,523 0.895,524 1.04,525 1.051,526 1.06,527 0.809,528 1.049,529 1.098,530 0.924,531 1.077,532 0.965,533 0.938,534 0.946,535 5,536 0.29,537 3.111,538 2.167,539 1.384,540 0.952,541 0.651,542 0.39,543 0.271,544 0.237,545 19521,546 52379,547 2.092,548 47,549 6,550 19,552 2,553 1,554 2,556 1,558 1.769,559 2,560 3.784,561 -0.43,567 96.468,568 1.462,569 3.499,570 4.755,571 5.415,572 5.62,573 5.62,574 3.272,575 4.672,576 5.092,577 3.991,578 2374.72,579 8.959,580 39140.2,585 398.93,586 1.206,587 5.08,588 0.132,589 0.007,590 0.062,591 0.043,592 0.029,593 0.02,594 0.014,595 0.009,596 0.007,597 0.006,598 0.329,599 0.17,600 0.75,601 1.476,602 192.304,603 0.017,604 0.004,605 0.111,606 0.033,607 -0.051,608 0.044,609 0.041,610 -0.076,611 -0.116,612 -0.099,613 0.09,614 -0.114,615 -0.078,616 -0.065,617 -0.05,618 -0.056,619 -0.109,620 -0.074,622 -0.018,623 -0.033,624 -0.018,625 0.013,626 -0.023,627 -0.024,628 -0.041,629 -0.05,630 -0.04,631 0.004,632 -0.026,633 -0.034,634 0.066,636 0.04,637 -0.044,638 0.017,639 -0.043,640 -0.06,641 -0.036,642 -0.05,643 -0.021,644 -0.048,645 -0.095,646 0.056,647 -0.033,648 0.04,649 -0.056,650 0.045,651 2.456,652 6.139,653 0.657,654 48.56,655 0.996,656 1.113,657 3.373,658 11.374,659 0.68,660 3.664,661 3.932,662 4.174,663 4.431,664 4.625,665 4.644,666 4.779,667 4.875,668 4.963,669 5.069,670 8.496,671 0.636,672 489.68,673 3.664,674 5.176,675 6.004,676 6.86,677 7.711,678 8.579,679 9.444,680 10.319,681 11.193,682 12.074,683 1.5,693 1,699 13,700 1,704 4,706 18,724 66,726 21,727 2,728 38,730 69,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 3,761 2,763 2,765 1,766 1,772 31,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,834 1,840 35,842 1,845 1,846 6,848 1,850 3,857 1,862 6.1,864 1,865 2,866 1,869 17.5,870 11.317,871 7.889,872 3.982,874 2.868,875 1.365,876 0.952,877 9.137,878 10.724,879 3.932,880 4.425,881 4.888,882 5.392,883 5.883,884 5.935,885 6.312,886 6.592,887 6.823,888 7.085,889 0.9,890 50,891 13.048,893 5.56,894 7.759,895 25.157,897 21.008,899 2.259,900 79.056,904 353.133,905 189.701,906 16.786,908 100.985,910 19.133,911 170.568,912 454.118,913 16.786,915 15.63,916 142.324,917 142.222,918 30.837,920 329.591,922 353.133,923 187.354,924 100.985,925 19.133,927 341.362,928 101.756,929 11,931 33.725,932 117.891,933 35.738,934 19.133,935 353.133,936 117.77,937 189.701,940 372.266,941 29.282,942 141.286,944 117.77,945 353.133,946 117.77,947 189.701,949 0.563,950 0.316,951 0.175,952 0.096,953 21,954 9,955 0.159,956 11,958 1,959 4.714,960 313.425,962 23,963 171.525,966 1,968 25.192,969 12.695,970 7.05,972 117.77,973 26.095,974 4.242,978 4.43,980 42.683,981 660.604,982 50,987 23.848,989 3.952,991 -0.789,992 -1.04,994 65.741,995 73.484,996 0.242,997 0.579,998 0.787,999 0.896,1000 0.93,1001 0.93,1002 5.139,1003 1.758,1004 5.948,1005 4.718,1006 4.615,1007 5.112,1008 3.515,1009 6.711,1010 4.545,1011 6.293,1012 1.581,1013 7.468,1014 4.47,1015 4.007,1016 4.575,1017 2.243,1018 7.557,1019 3.886,1020 7.553,1021 1.323,1022 9.097,1023 3.416,1024 6.142,1025 7.123,1026 5.6,1027 10.691,1028 6.002,1029 8.846,1030 1.17,1031 10.797,1032 2.947,1033 6.431,1034 7.397,1035 4.112,1036 12.496,1037 6.221,1038 10.172,1039 1,1040 12.546,1041 2.715,1042 7.982,1043 9.406,1044 7.879,1045 15.138,1046 7.755,1047 11.521,1048 1,1049 14.332,1050 2.275,1051 8.717,1052 10.094,1053 5.889,1054 17.328,1055 8.407,1056 12.891,1057 1,1058 16.144,1059 2.136,1060 10.021,1061 11.839,1062 10.213,1063 19.823,1064 9.685,1065 3.249,1066 0.963,1067 17.978,1068 2.136,1069 10.98,1070 12.768,1071 7.625,1072 22.166,1073 10.557,1074 2.87,1075 11.589,1076 19.828,1077 2.097,1078 12.186,1079 14.358,1080 12.566,1081 24.619,1082 11.721,1083 2.506,1084 9.054,1085 21.691,1086 3.889,1087 13.252,1088 15.437,1089 9.342,1090 27.022,1091 12.702,1092 2.38,1093 7.806,1094 23.565,1095 3.684,1096 14.423,1097 16.933,1098 14.928,1099 29.466,1100 13.818,1101 2.235,1102 6.893,1103 25.447,1104 3.304,1105 15.54,1106 18.108,1107 11.051,1108 31.894,1109 14.854,1110 1.97,1111 5.524,1112 27.337,1113 3.07,1114 16.701,1115 19.545,1116 17.295,1117 34.338,1118 15.951,1119 1.844,1120 5.184,1121 29.233,1122 2.722,1123 17.844,1124 20.781,1125 12.755,1126 36.777,1127 17.014,1128 18697,1129 30736,1130 25.83,1131 44.892,1132 56.278,1133 58.848,1134 56.534,1135 55.596,1136 55.55,1137 71.44,1138 13.528,1139 150.374,1140 53.583,1141 5.321,1142 6.866,1143 6.731,1144 5.313,1145 5.249,1146 6.889,1147 6.545,1148 18.735,1149 5.025,1150 14.486,1151 1.481,1152 1.549,1153 1.488,1154 1.463,1155 1.462,1156 1.88,1157 0.356,1158 3.957,1159 1.41,1160 4.048,1161 4.068,1162 4.38,1163 4.009,1164 7.474,1165 3.977,1166 3.973,1167 3.995,1168 3.946,1169 3.942,1170 7.396,1171 3.911,1172 3.779,1173 3.82,1174 3.743,1175 3.701,1176 6.351,1177 3.694,1178 3.76,1179 3.797,1180 3.686,1181 3.661,1182 4.899,1183 3.654,1184 3.701,1185 3.733,1186 3.649,1187 3.608,1188 4.843,1189 3.579,1190 3.484,1191 3.515,1192 3.443,1193 3.326,1194 4.658,1195 3.309,1196 3.228,1197 3.257,1198 3.252,1199 3.08,1200 4.471,1201 3.069,1202 3.163,1203 3.195,1204 3.06,1205 2.989,1206 4.379,1207 2.969,1208 0.115,1209 0.128,1210 0.182,1211 0.11,1212 0.085,1213 4.37,1214 0.102,1215 4.866,1216 0.086,1217 6.907,1218 0.305,1219 4.179,1220 0.08,1221 3.249,1222 3.889,1223 3.272,1224 11.589,1225 3.025,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.393,1231 2.073,1232 1.891,1233 1.863,1234 2.026,1235 1.997,1236 1.218,1237 2.011,1238 1.782,1239 1.751,1240 1.941,1241 1.912,1242 1.162,1243 1.929,1244 1.764,1245 1.722,1246 1.916,1247 1.874,1248 1.122,1249 1.889,1250 1.608,1251 1.567,1252 1.819,1253 1.78,1254 1.003,1255 1.794,1256 1.471,1257 1.465,1258 1.625,1259 1.625,1260 0.94,1261 1.66,1262 1.329,1263 1.299,1264 1.453,1265 1.492,1266 0.744,1267 1.525,1268 1.147,1269 1.104,1270 1.384,1271 1.342,1272 0.591,1273 1.363,1274 4.344,1276 5.624,1277 2.398,1278 7.094,1279 4.844,1280 8.654,1281 7.018,1282 10.266,1289 8.803,1290 3.265,1292 6.364,1294 -0.114,1300 41.97,1301 96.468,1302 230.915,1303 313.857,1304 357.42,1305 370.93,1306 370.93,1307 82.39,1308 7.856,1309 76.49,1310 95.7,1311 23,1312 12.611,1313 4.459,1314 3.7,1315 59.409,1316 169,1317 194,1318 0.16,1319 261.084,1320 463.75,1321 628.804,1322 30051,1324 24.46,1325 0.699,1326 0.585,1327 24.748,1328 20.479,1329 17.114,1330 0.45,1331 0.353,1332 12.04,1333 16.087,1334 11.656,1335 9.634,1336 17.774,1337 13.396,1338 14.754,1339 0.295,1340 0.208,1341 15.553,1342 10.414,1343 11.848,1344 0.185,1345 0.128,1346 12.774,1347 8.22,1348 9.929,1349 0.12,1350 0.08,1351 11.059,1352 6.609,1353 7.981,1354 0.079,1355 0.045,1356 8.924,1357 4.573,1358 0.256,1359 112.42,1360 0.197,1361 32.804,1362 0.425,1363 176,1364 489.862,1365 215.875,1366 493.981,1367 657.32,1368 460,1369 202,1370 440.044,1371 244.421,1372 469.728,1373 673.55,1374 441,1375 6.699} {0 CHEMBL2115559,1 1.462,2 14.457,3 4.464,4 19.926,5 140.848,6 7.419,7 0.474,8 4.259,9 4.357,10 3.896,11 3.886,12 5.325,13 3.822,14 4.801,15 4.945,16 4.181,17 4.286,18 5.861,19 4.185,20 5.114,21 5.314,22 4.251,23 4.418,24 6.059,25 4.289,26 5.169,27 5.388,28 4.231,29 4.42,30 6.128,31 4.273,32 5.187,33 5.412,34 4.205,35 4.428,36 6.129,37 4.277,38 5.178,39 5.417,40 4.142,41 4.392,42 6.096,43 4.239,44 5.118,45 5.351,46 4.089,47 4.347,48 6.029,49 4.187,50 5.094,51 5.333,52 4.031,53 4.29,54 6.01,55 4.139,56 0.059,57 0.849,58 15.285,59 7.068,60 14.144,61 8.591,62 0.236,63 1.434,64 28.748,65 12.311,66 48.093,67 15.026,68 0.352,69 1.866,70 41.477,71 16.356,72 67.775,73 20.331,74 0.497,75 1.975,76 46.354,77 17.411,78 79.734,79 21.762,80 0.417,81 2.016,82 47.066,83 17.918,84 77.531,85 22.473,86 0.445,87 1.982,88 44.705,89 17.085,90 75.749,91 22.066,92 0.32,93 1.872,94 42.65,95 16.602,96 66.839,97 21.187,98 0.412,99 1.809,100 42.935,101 15.917,102 72.833,103 20.115,104 17,105 50,106 0.231,107 0.552,108 0.75,109 0.854,110 0.886,111 0.886,112 3.588,113 1.058,114 -4.6,115 -4.52,116 -4.26,118 43.9,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 5,175 1,177 1,180 23,181 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,209 1,210 7,215 1,218 16,219 1,221 1,222 7,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 9,252 1,255 15,259 6,260 1,267 16,268 1,270 2823,271 24.018,272 24.018,273 24.018,274 24.018,275 24.018,276 21.283,277 16.887,278 14.817,279 24.464,280 18.819,281 18.819,282 18.819,283 18.819,284 18.819,285 14.847,286 15.182,287 7.11,288 19.506,289 4.583,290 2.546,291 1.289,292 0.629,293 0.424,294 0.424,295 4.286,300 1,301 1080,302 3.873,305 113.193,306 388.163,313 2.211,314 34.925,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 74.5,326 506,327 4.37,328 4.866,329 6.907,330 4.179,331 3.249,332 3.889,333 3.272,334 11.589,335 3.025,336 4.244,337 3.597,338 6.143,339 3.869,340 2.87,341 3.684,342 2.341,343 9.054,344 2.867,345 3.813,346 3.075,347 5.784,348 3.473,349 2.506,350 3.304,351 1.151,352 7.806,353 2.428,354 3.726,355 2.993,356 5.323,357 3.369,358 2.38,359 3.07,361 6.893,362 2.347,363 3.559,364 2.842,365 5.012,366 3.241,367 2.235,368 2.722,370 5.524,371 2.222,372 3.304,373 2.567,374 4.66,375 2.865,376 1.97,377 2.592,379 5.184,380 1.819,381 3.25,382 2.209,383 4.649,384 2.829,385 1.844,386 2.353,388 4.718,389 1.777,390 3.137,391 2.124,392 4.442,393 2.727,394 1.758,395 2.196,397 4.47,398 1.653,399 2.94,400 1.878,401 3.795,402 2.536,403 1.581,404 2.063,406 3.416,407 1.484,408 2.661,409 1.669,410 3.622,411 2.281,412 1.323,413 1.726,415 2.947,416 1.257,417 2.543,418 1.415,419 3.51,420 2.165,421 1.17,422 1.541,424 2.715,425 1.163,426 2.5,427 1.373,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.156,437 3.319,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1,446 3.247,447 1.959,448 1,449 1.5,451 2.136,452 0.956,453 2.072,454 1,455 3.247,456 1.946,457 0.963,458 1.026,460 2.097,461 0.94,462 17.067,463 0.488,464 0.644,465 0.018,466 42.75,467 1.221,468 22,469 0.629,470 20.75,471 0.593,472 33.035,473 0.944,474 37.533,475 0.569,476 33.08,477 0.945,478 8.248,479 0.236,480 8.866,481 0.253,482 0.059,484 0.283,487 0.672,488 1.084,489 0.83,490 1.042,491 0.662,492 0.955,493 0.77,494 1.139,495 1.149,496 1.181,497 0.536,498 1.111,499 1.065,500 1.058,501 1.056,502 1.072,503 1.015,504 1.062,505 1.003,506 1.011,507 1.121,508 1.065,509 0.824,510 1.019,511 0.949,512 1.037,513 1.128,514 1.082,515 0.83,516 1.026,517 0.945,518 0.917,519 0.975,520 0.932,521 0.885,522 0.971,523 0.895,524 1.04,525 1.051,526 1.06,527 0.809,528 1.049,529 1.098,530 0.924,531 1.077,532 0.965,533 0.938,534 0.946,535 5,536 0.29,537 3.111,538 2.167,539 1.384,540 0.952,541 0.651,542 0.39,543 0.271,544 0.237,545 19521,546 52379,547 2.092,548 47,549 6,550 19,552 2,553 1,554 2,556 1,558 1.769,559 2,560 3.784,561 -0.43,567 96.468,568 1.462,569 3.499,570 4.755,571 5.415,572 5.62,573 5.62,574 3.272,575 4.672,576 5.092,577 3.991,578 2374.72,579 8.959,580 39140.2,585 398.93,586 1.206,587 5.08,588 0.132,589 0.007,590 0.062,591 0.043,592 0.029,593 0.02,594 0.014,595 0.009,596 0.007,597 0.006,598 0.329,599 0.17,600 0.75,601 1.476,602 192.304,603 0.017,604 0.004,605 0.111,606 0.033,607 -0.051,608 0.044,609 0.041,610 -0.076,611 -0.116,612 -0.099,613 0.09,614 -0.114,615 -0.078,616 -0.065,617 -0.05,618 -0.056,619 -0.109,620 -0.074,622 -0.018,623 -0.033,624 -0.018,625 0.013,626 -0.023,627 -0.024,628 -0.041,629 -0.05,630 -0.04,631 0.004,632 -0.026,633 -0.034,634 0.066,636 0.04,637 -0.044,638 0.017,639 -0.043,640 -0.06,641 -0.036,642 -0.05,643 -0.021,644 -0.048,645 -0.095,646 0.056,647 -0.033,648 0.04,649 -0.056,650 0.045,651 2.456,652 6.139,653 0.657,654 48.56,655 0.996,656 1.113,657 3.373,658 11.374,659 0.68,660 3.664,661 3.932,662 4.174,663 4.431,664 4.625,665 4.644,666 4.779,667 4.875,668 4.963,669 5.069,670 8.496,671 0.636,672 489.68,673 3.664,674 5.176,675 6.004,676 6.86,677 7.711,678 8.579,679 9.444,680 10.319,681 11.193,682 12.074,683 1.5,693 1,699 13,700 1,704 4,706 18,724 66,726 21,727 2,728 38,730 69,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 3,761 2,763 2,765 1,766 1,772 31,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,834 1,840 35,842 1,845 1,846 6,848 1,850 3,857 1,862 6.1,864 1,865 2,866 1,869 17.5,870 11.317,871 7.889,872 3.982,874 2.868,875 1.365,876 0.952,877 9.137,878 10.724,879 3.932,880 4.425,881 4.888,882 5.392,883 5.883,884 5.935,885 6.312,886 6.592,887 6.823,888 7.085,889 0.9,890 50,891 13.048,893 5.56,894 7.759,895 25.157,897 21.008,899 2.259,900 79.056,904 353.133,905 189.701,906 16.786,908 100.985,910 19.133,911 170.568,912 454.118,913 16.786,915 15.63,916 142.324,917 142.222,918 30.837,920 329.591,922 353.133,923 187.354,924 100.985,925 19.133,927 341.362,928 101.756,929 11,931 33.725,932 117.891,933 35.738,934 19.133,935 353.133,936 117.77,937 189.701,940 372.266,941 29.282,942 141.286,944 117.77,945 353.133,946 117.77,947 189.701,949 0.563,950 0.316,951 0.175,952 0.096,953 21,954 9,955 0.159,956 11,958 1,959 4.714,960 313.425,962 23,963 171.525,966 1,968 25.192,969 12.695,970 7.05,972 117.77,973 26.095,974 4.242,978 4.43,980 42.683,981 660.604,982 50,987 23.848,989 3.952,991 -0.789,992 -1.04,994 65.741,995 73.484,996 0.242,997 0.579,998 0.787,999 0.896,1000 0.93,1001 0.93,1002 5.139,1003 1.758,1004 5.948,1005 4.718,1006 4.615,1007 5.112,1008 3.515,1009 6.711,1010 4.545,1011 6.293,1012 1.581,1013 7.468,1014 4.47,1015 4.007,1016 4.575,1017 2.243,1018 7.557,1019 3.886,1020 7.553,1021 1.323,1022 9.097,1023 3.416,1024 6.142,1025 7.123,1026 5.6,1027 10.691,1028 6.002,1029 8.846,1030 1.17,1031 10.797,1032 2.947,1033 6.431,1034 7.397,1035 4.112,1036 12.496,1037 6.221,1038 10.172,1039 1,1040 12.546,1041 2.715,1042 7.982,1043 9.406,1044 7.879,1045 15.138,1046 7.755,1047 11.521,1048 1,1049 14.332,1050 2.275,1051 8.717,1052 10.094,1053 5.889,1054 17.328,1055 8.407,1056 12.891,1057 1,1058 16.144,1059 2.136,1060 10.021,1061 11.839,1062 10.213,1063 19.823,1064 9.685,1065 3.249,1066 0.963,1067 17.978,1068 2.136,1069 10.98,1070 12.768,1071 7.625,1072 22.166,1073 10.557,1074 2.87,1075 11.589,1076 19.828,1077 2.097,1078 12.186,1079 14.358,1080 12.566,1081 24.619,1082 11.721,1083 2.506,1084 9.054,1085 21.691,1086 3.889,1087 13.252,1088 15.437,1089 9.342,1090 27.022,1091 12.702,1092 2.38,1093 7.806,1094 23.565,1095 3.684,1096 14.423,1097 16.933,1098 14.928,1099 29.466,1100 13.818,1101 2.235,1102 6.893,1103 25.447,1104 3.304,1105 15.54,1106 18.108,1107 11.051,1108 31.894,1109 14.854,1110 1.97,1111 5.524,1112 27.337,1113 3.07,1114 16.701,1115 19.545,1116 17.295,1117 34.338,1118 15.951,1119 1.844,1120 5.184,1121 29.233,1122 2.722,1123 17.844,1124 20.781,1125 12.755,1126 36.777,1127 17.014,1128 18697,1129 30736,1130 25.83,1131 44.892,1132 56.278,1133 58.848,1134 56.534,1135 55.596,1136 55.55,1137 71.44,1138 13.528,1139 150.374,1140 53.583,1141 5.321,1142 6.866,1143 6.731,1144 5.313,1145 5.249,1146 6.889,1147 6.545,1148 18.735,1149 5.025,1150 14.486,1151 1.481,1152 1.549,1153 1.488,1154 1.463,1155 1.462,1156 1.88,1157 0.356,1158 3.957,1159 1.41,1160 4.048,1161 4.068,1162 4.38,1163 4.009,1164 7.474,1165 3.977,1166 3.973,1167 3.995,1168 3.946,1169 3.942,1170 7.396,1171 3.911,1172 3.779,1173 3.82,1174 3.743,1175 3.701,1176 6.351,1177 3.694,1178 3.76,1179 3.797,1180 3.686,1181 3.661,1182 4.899,1183 3.654,1184 3.701,1185 3.733,1186 3.649,1187 3.608,1188 4.843,1189 3.579,1190 3.484,1191 3.515,1192 3.443,1193 3.326,1194 4.658,1195 3.309,1196 3.228,1197 3.257,1198 3.252,1199 3.08,1200 4.471,1201 3.069,1202 3.163,1203 3.195,1204 3.06,1205 2.989,1206 4.379,1207 2.969,1208 0.115,1209 0.128,1210 0.182,1211 0.11,1212 0.085,1213 4.37,1214 0.102,1215 4.866,1216 0.086,1217 6.907,1218 0.305,1219 4.179,1220 0.08,1221 3.249,1222 3.889,1223 3.272,1224 11.589,1225 3.025,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.393,1231 2.073,1232 1.891,1233 1.863,1234 2.026,1235 1.997,1236 1.218,1237 2.011,1238 1.782,1239 1.751,1240 1.941,1241 1.912,1242 1.162,1243 1.929,1244 1.764,1245 1.722,1246 1.916,1247 1.874,1248 1.122,1249 1.889,1250 1.608,1251 1.567,1252 1.819,1253 1.78,1254 1.003,1255 1.794,1256 1.471,1257 1.465,1258 1.625,1259 1.625,1260 0.94,1261 1.66,1262 1.329,1263 1.299,1264 1.453,1265 1.492,1266 0.744,1267 1.525,1268 1.147,1269 1.104,1270 1.384,1271 1.342,1272 0.591,1273 1.363,1274 4.344,1276 5.624,1277 2.398,1278 7.094,1279 4.844,1280 8.654,1281 7.018,1282 10.266,1289 8.803,1290 3.265,1292 6.364,1294 -0.114,1300 41.97,1301 96.468,1302 230.915,1303 313.857,1304 357.42,1305 370.93,1306 370.93,1307 82.39,1308 7.856,1309 76.49,1310 95.7,1311 23,1312 12.611,1313 4.459,1314 3.7,1315 59.409,1316 169,1317 194,1318 0.16,1319 261.084,1320 463.75,1321 628.804,1322 30051,1324 24.46,1325 0.699,1326 0.585,1327 24.748,1328 20.479,1329 17.114,1330 0.45,1331 0.353,1332 12.04,1333 16.087,1334 11.656,1335 9.634,1336 17.774,1337 13.396,1338 14.754,1339 0.295,1340 0.208,1341 15.553,1342 10.414,1343 11.848,1344 0.185,1345 0.128,1346 12.774,1347 8.22,1348 9.929,1349 0.12,1350 0.08,1351 11.059,1352 6.609,1353 7.981,1354 0.079,1355 0.045,1356 8.924,1357 4.573,1358 0.256,1359 112.42,1360 0.197,1361 32.804,1362 0.425,1363 176,1364 489.862,1365 215.875,1366 493.981,1367 657.32,1368 460,1369 202,1370 440.044,1371 244.421,1372 469.728,1373 673.55,1374 441,1375 6.699} {0 CHEMBL21303,1 1.471,2 13.27,3 5.877,4 34.54,5 145.751,6 7.198,7 0.45,8 4.304,9 4.425,10 3.83,11 3.872,12 5.414,13 3.838,14 4.823,15 4.992,16 4.144,17 4.254,18 5.949,19 4.18,20 5.122,21 5.359,22 4.137,23 4.345,24 6.102,25 4.242,26 5.075,27 5.314,28 4.168,29 4.287,30 6.128,31 4.205,32 5.065,33 5.269,34 4.249,35 4.358,36 6.14,37 4.293,38 5.213,39 5.439,40 4.302,41 4.486,42 6.213,43 4.396,44 5.286,45 5.51,46 4.342,47 4.553,48 6.297,49 4.452,50 5.32,51 5.55,52 4.325,53 4.56,54 6.35,55 4.449,56 0.05,57 0.969,58 14.303,59 6.385,60 11.923,61 8.448,62 0.311,63 1.567,64 25.657,65 10.893,66 48.713,67 14.857,68 0.336,69 1.954,70 37.963,71 13.663,72 62.265,73 19.402,74 0.441,75 1.871,76 36.615,77 12.523,78 71.223,79 17.947,80 0.348,81 1.943,82 34.822,83 11.919,84 60.98,85 16.726,86 0.367,87 2.209,88 40.869,89 14.593,90 60.402,91 20.736,92 0.385,93 2.307,94 44.071,95 16.699,96 68.128,97 23.212,98 0.341,99 2.339,100 45.872,101 17.595,102 75.405,103 24.492,104 15,105 52,106 0.23,107 0.554,108 0.72,109 0.849,110 0.876,111 0.876,112 3.642,113 0.954,114 -5.35,115 -5.24,116 -4.9,118 43.5,120 7,126 1,133 1,134 1,140 11,141 3,142 1,143 2,154 2,155 1,163 1,167 1,168 21,169 1,172 6,175 4,176 1,177 4,180 23,181 1,186 7,191 5,194 17,195 1,197 1,198 8,201 1,203 12,206 13,207 1,210 9,215 12,218 12,219 1,222 11,227 7,229 16,230 2,234 11,237 1,239 7,242 24,243 3,247 7,248 1,252 6,255 27,256 2,258 2,259 6,262 2,264 4,265 1,267 26,268 1,270 2886,271 25.327,272 25.327,273 25.327,274 25.327,275 25.327,276 22.412,277 19.75,278 15.702,279 25.553,280 19.842,281 19.842,282 19.842,283 19.842,284 19.842,285 15.513,286 23.565,287 7.564,288 20.202,289 4.637,290 2.555,291 1.497,292 0.667,293 0.493,294 0.493,295 4.338,300 1,301 1043,302 4.637,305 123.528,306 432.264,313 1.885,314 34.579,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 79,326 491,327 4.393,328 3.596,329 6.508,330 4.027,331 3.031,332 3.988,333 2.341,334 10.225,335 3.02,336 4.184,337 3.59,338 6.057,339 3.837,340 2.853,341 3.688,342 1.305,343 8.749,344 2.818,345 3.984,346 3.105,347 5.663,348 3.617,349 2.648,350 3.498,351 0.964,352 7.881,353 2.552,354 3.803,355 3.009,356 5.428,357 3.471,358 2.491,359 3.154,360 0.268,361 7.169,362 2.44,363 3.552,364 2.589,365 5.141,366 3.237,367 2.232,368 2.805,370 6.235,371 2.219,372 3.476,373 2.325,374 4.853,375 3.154,376 2.189,377 2.707,379 5.467,380 2.107,381 3.335,382 2.175,383 4.659,384 2.937,385 1.963,386 2.524,388 5.182,389 1.909,390 3.157,391 2.067,392 4.182,393 2.698,394 1.699,395 2.281,397 3.905,398 1.688,399 2.967,400 1.845,401 4.097,402 2.55,403 1.56,404 2.106,406 3.691,407 1.54,408 2.726,409 1.479,410 3.564,411 2.376,412 1.397,413 1.782,415 2.947,416 1.364,417 2.637,418 1.324,419 3.498,420 2.188,421 1.197,422 1.671,424 2.637,425 1.185,426 2.553,427 1.261,428 3.471,429 2.147,430 1.162,431 1.5,433 2.609,434 1.142,435 2.5,436 1.198,437 3.364,438 2,439 1,440 1.5,442 2.312,443 1,444 2.5,445 1.101,446 3.257,447 1.982,448 1,449 1.496,451 2.136,452 0.974,453 2.205,454 1,455 3.247,456 1.957,457 0.973,458 1.124,460 2.136,461 0.954,462 17.6,463 0.476,464 0.677,465 0.018,466 47.25,467 1.277,468 24.5,469 0.662,470 22.75,471 0.615,472 33.356,473 0.902,474 39.4,475 0.571,476 39.729,477 1.074,478 9.215,479 0.249,480 8.865,481 0.24,482 0.057,484 0.256,487 0.772,488 1.196,489 0.838,490 1.028,491 0.652,492 0.953,493 0.457,494 1.142,495 0.942,496 1.156,497 0.441,498 1.122,499 0.966,500 1.08,501 0.991,502 0.991,503 0.871,504 0.989,505 0.984,506 1.03,507 0.888,508 0.872,509 0.912,510 0.862,511 1.236,512 1.167,513 1.074,514 0.981,515 1.033,516 0.988,517 0.974,518 1.045,519 1.025,520 0.97,521 0.793,522 0.984,523 0.939,524 1.021,525 1.01,526 1.027,527 0.954,528 1.024,529 0.902,530 1.066,531 1.002,532 1.083,533 0.872,534 1.059,535 6,536 0.244,537 2.667,538 2.222,539 0.999,540 0.903,541 0.7,542 0.615,543 0.383,544 0.358,545 20815,546 54122,547 2.087,548 46.4,549 8,550 13,552 2,553 3,554 2,555 4,558 1.788,559 2,560 3.664,561 0.728,567 101.527,568 1.471,569 3.553,570 4.612,571 5.442,572 5.616,573 5.616,574 3.073,575 4.777,576 5.179,577 3.861,578 2571.74,579 9.155,580 43017.3,585 421.488,586 1.172,587 5.162,588 0.15,589 0.005,590 0.051,591 0.044,592 0.019,593 0.016,594 0.012,595 0.01,596 0.006,597 0.007,598 0.321,599 0.17,600 0.75,601 1.139,602 204.097,603 -0.06,604 -0.035,605 0.024,606 0.032,607 -0.04,608 0.038,609 0.247,610 -0.04,611 -0.044,612 -0.125,613 0.177,614 -0.13,615 -0.08,616 -0.064,617 -0.017,618 -0.015,619 -0.053,620 -0.008,621 0.02,623 0.106,624 0.086,625 0.006,626 0.102,627 -0.179,628 -0.063,629 -0.103,630 -0.026,631 -0.114,632 -0.048,633 -0.115,634 0.02,635 -0.064,637 -0.061,638 -0.016,639 -0.063,640 -0.003,641 -0.05,642 -0.031,643 -0.073,644 -0.036,645 -0.045,646 -0.076,647 -0.039,648 -0.08,649 -0.003,650 -0.06,651 2.464,652 5.884,653 0.622,654 44.378,655 0.997,656 1.122,657 4.124,658 17.01,659 0.667,660 3.714,661 3.97,662 4.174,663 4.407,664 4.554,665 4.595,666 4.754,667 4.868,668 4.934,669 4.997,670 8.015,671 0.632,672 496.66,673 3.714,674 5.22,675 6.033,676 6.876,677 7.707,678 8.558,679 9.397,680 10.253,681 11.098,682 11.956,683 5.8,688 1,690 1,692 1,693 1,699 13,700 1,704 4,706 18,712 1,717 1,724 69,726 22,727 2,728 40,730 72,731 30,733 17,734 3,735 9,736 3,739 4,740 4,743 1,748 5,751 8,753 22,754 8,756 4,761 2,763 1,764 1,765 4,772 32,773 7,774 3,775 7,779 4,784 1,785 3,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 37,845 1,846 7,847 2,850 1,862 4.3,864 1,865 2,869 18.5,870 11.933,871 8.333,872 4.335,874 2.883,875 1.38,876 0.962,877 9.619,878 10.474,879 3.989,880 4.494,881 4.975,882 5.49,883 5.96,884 6.079,885 6.468,886 6.765,887 7.041,888 7.316,889 0.889,890 50,891 13.706,893 5.738,894 7.775,895 26.262,897 21.312,899 2.275,900 84.167,904 341.362,905 172.564,906 69.593,908 92.973,911 172.564,912 434.335,913 69.593,915 35.752,916 113.715,917 156.926,918 50.379,919 1.899,920 317.82,922 341.362,923 242.157,924 92.973,927 294.278,928 140.058,931 70.633,932 127.251,933 44.273,935 341.362,936 162.566,937 172.564,940 341.362,941 40.754,942 131.81,943 36.022,944 126.544,945 341.362,946 162.566,947 172.564,949 0.561,950 0.31,951 0.17,952 0.088,953 21,954 9,955 0.153,956 11,958 1,959 4.762,960 343.164,962 23,963 184.75,968 26.314,969 13.526,970 8.128,972 162.566,973 24.411,974 4.26,978 3.276,980 78.705,981 676.492,982 53,987 23.826,989 2.059,990 4.84,991 0.403,994 68.76,995 77.434,996 0.241,997 0.582,998 0.755,999 0.891,1000 0.919,1001 0.919,1002 5.19,1003 1.699,1004 5.969,1005 5.182,1006 4.654,1007 5.182,1008 2.681,1009 6.691,1010 4.619,1011 6.352,1012 1.56,1013 7.463,1014 3.905,1015 4.007,1016 4.691,1017 2.331,1018 7.402,1019 3.959,1020 7.617,1021 1.397,1022 9.059,1023 3.691,1024 6.151,1025 7.23,1026 3.778,1027 10.5,1028 6.082,1029 8.915,1030 1.197,1031 10.72,1032 2.947,1033 6.365,1034 7.562,1035 4.148,1036 12.106,1037 6.292,1038 10.245,1039 1.162,1040 12.424,1041 2.637,1042 7.915,1043 9.548,1044 5.246,1045 14.682,1046 7.822,1047 11.598,1048 1,1049 14.158,1050 2.609,1051 8.55,1052 10.297,1053 5.902,1054 16.669,1055 8.457,1056 12.969,1057 1,1058 15.916,1059 2.312,1060 9.837,1061 12.015,1062 6.861,1063 19.063,1064 9.727,1065 3.031,1066 0.973,1067 17.691,1068 2.136,1069 10.689,1070 13.003,1071 7.629,1072 21.221,1073 10.581,1074 2.853,1075 10.225,1076 19.48,1077 2.136,1078 11.856,1079 14.572,1080 8.529,1081 23.553,1082 11.736,1083 2.648,1084 8.749,1085 21.28,1086 3.988,1087 12.819,1088 15.704,1089 9.344,1090 25.791,1091 12.701,1092 2.491,1093 7.881,1094 23.088,1095 3.688,1096 13.933,1097 17.186,1098 10.217,1099 28.103,1100 13.807,1101 2.232,1102 7.169,1103 24.904,1104 3.498,1105 14.955,1106 18.407,1107 11.051,1108 30.379,1109 14.83,1110 2.189,1111 6.235,1112 26.726,1113 3.154,1114 16.048,1115 19.839,1116 11.912,1117 32.689,1118 15.917,1119 1.963,1120 5.467,1121 28.554,1122 2.805,1123 17.1,1124 21.116,1125 12.755,1126 34.985,1127 16.97,1128 20007,1129 32415,1130 27.216,1131 46.046,1132 58.406,1133 59.475,1134 58.522,1135 57.978,1136 57.881,1137 75.277,1138 9.757,1139 153.706,1140 56.897,1141 5.292,1142 5.596,1143 6.31,1144 5.084,1145 5.031,1146 6.988,1147 3.925,1148 17.03,1149 5.02,1150 14.845,1151 1.46,1152 1.487,1153 1.463,1154 1.449,1155 1.447,1156 1.882,1157 0.244,1158 3.843,1159 1.422,1160 4.025,1161 4.06,1162 3.97,1163 3.956,1164 7.474,1165 3.955,1166 3.921,1167 3.954,1168 3.86,1169 3.848,1170 7.429,1171 3.845,1172 3.862,1173 3.909,1174 3.764,1175 3.749,1176 6.351,1177 3.742,1178 3.799,1179 3.841,1180 3.714,1181 3.709,1182 4.93,1183 3.707,1184 3.695,1185 3.74,1186 3.58,1187 3.549,1188 4.803,1189 3.544,1190 3.486,1191 3.548,1192 3.412,1193 3.261,1194 4.721,1195 3.291,1196 3.375,1197 3.404,1198 3.289,1199 3.192,1200 4.601,1201 3.212,1202 3.138,1203 3.177,1204 3.065,1205 2.933,1206 4.247,1207 2.956,1208 0.11,1209 0.09,1210 0.163,1211 0.101,1212 0.076,1213 4.393,1214 0.1,1215 3.596,1216 0.059,1217 6.508,1218 0.256,1219 4.027,1220 0.075,1221 3.031,1222 3.988,1223 2.341,1224 10.225,1225 3.02,1226 1.978,1227 1.954,1228 2.075,1229 2.061,1230 1.283,1231 2.066,1232 1.902,1233 1.877,1234 2.018,1235 1.999,1236 1.211,1237 2.003,1238 1.792,1239 1.756,1240 1.925,1241 1.919,1242 1.192,1243 1.921,1244 1.678,1245 1.629,1246 1.887,1247 1.856,1248 1.123,1249 1.868,1250 1.624,1251 1.564,1252 1.86,1253 1.807,1254 1.074,1255 1.816,1256 1.577,1257 1.507,1258 1.83,1259 1.751,1260 0.942,1261 1.793,1262 1.343,1263 1.305,1264 1.533,1265 1.569,1266 0.675,1267 1.555,1268 1.28,1269 1.232,1270 1.442,1271 1.524,1272 0.436,1273 1.509,1274 4.394,1276 5.666,1277 2.398,1278 7.117,1279 4.443,1280 8.65,1281 6.26,1282 10.23,1289 8.99,1290 5.625,1291 6.294,1294 0.182,1300 43.605,1301 101.527,1302 245.164,1303 318.215,1304 375.488,1305 387.488,1306 387.488,1307 78.304,1308 7.591,1309 103.68,1310 103.68,1311 23,1312 12.511,1313 4.524,1314 3.807,1315 64.369,1316 176,1317 185,1318 0.172,1319 270.077,1320 481.47,1321 650.748,1322 20265,1324 25.874,1325 0.699,1326 0.561,1327 25.874,1328 20.768,1329 18.081,1330 0.452,1331 0.318,1332 12.613,1333 17.603,1334 12.379,1335 10.301,1336 18.081,1337 12.723,1338 15.632,1339 0.301,1340 0.175,1341 15.632,1342 9.087,1343 12.221,1344 0.191,1345 0.098,1346 12.221,1347 6.256,1348 10.186,1349 0.126,1350 0.054,1351 10.186,1352 4.406,1353 7.644,1354 0.081,1355 0.027,1356 7.644,1357 2.542,1358 0.271,1359 111.94,1360 0.192,1361 33.772,1362 0.47,1363 184,1364 513.577,1365 198.358,1366 503.974,1367 680.66,1368 470,1369 208,1370 490.388,1371 220.145,1372 498.907,1373 718.3,1374 471,1375 8.398} {0 CHEMBL21392,1 1.544,2 12.424,3 4.569,4 20.877,5 128.106,6 7.152,7 0.343,8 4.215,9 4.341,10 3.726,11 3.732,12 5.347,13 3.702,14 4.743,15 4.917,16 4.023,17 4.122,18 5.952,19 4.05,20 5.066,21 5.312,22 4.02,23 4.264,24 5.983,25 4.149,26 5.076,27 5.331,28 4.066,29 4.255,30 6.047,31 4.143,32 5.06,33 5.282,34 4.133,35 4.299,36 6.088,37 4.212,38 5.15,39 5.379,40 4.21,41 4.359,42 6.19,43 4.273,44 5.206,45 5.433,46 4.186,47 4.349,48 6.31,49 4.261,50 5.15,51 5.388,52 4.11,53 4.25,54 6.286,55 4.163,56 0.152,57 0.904,58 13.526,59 5.794,60 15.224,61 7.821,62 0.323,63 1.422,64 24.271,65 9.887,66 74.782,67 13.741,68 0.447,69 1.78,70 36.429,71 12.802,72 69.063,73 18.594,74 0.551,75 1.779,76 37.15,77 12.699,78 72.59,79 18.933,80 0.392,81 1.81,82 35.561,83 12.398,84 71.468,85 17.822,86 0.381,87 1.965,88 39.037,89 13.309,90 65.806,91 19.382,92 0.56,93 1.966,94 42.312,95 13.921,96 98.764,97 19.724,98 0.488,99 1.791,100 40.487,101 13.215,102 95.663,103 18.817,104 28,105 45,106 0.247,107 0.592,108 0.755,109 0.861,110 0.88,111 0.88,112 3.532,113 0.971,114 -4.51,115 -4.44,116 -4.18,118 39.7,120 8,126 1,133 1,134 1,135 1,137 1,140 6,141 2,142 1,143 2,154 1,162 2,163 1,167 1,168 16,169 1,171 1,172 3,175 1,176 1,177 5,180 18,181 1,186 3,189 2,191 5,194 16,195 1,198 3,201 4,203 8,206 13,207 1,210 8,215 7,218 12,219 1,222 15,227 6,229 12,230 2,234 15,237 1,239 6,242 12,243 3,247 11,248 1,252 6,255 11,256 2,258 1,259 8,262 2,264 4,265 1,267 10,268 1,270 2113,271 22.258,272 22.258,273 22.258,274 22.258,275 22.258,276 19.835,277 19.994,278 13.901,279 22.496,280 17.381,281 17.381,282 17.381,283 17.381,284 17.381,285 13.811,286 26.709,287 6.719,288 17.762,289 4.433,290 2.281,291 1.258,292 0.595,293 0.476,294 0.476,295 4.216,299 1,300 1,301 851,302 4.583,306 381.24,313 1.866,314 35.692,317 1,318 0.67,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.76,325 72,326 410,327 4.393,328 3.688,329 6.508,330 4.026,331 3.03,332 3.988,333 2.612,334 10.225,335 3.02,336 4.103,337 3.596,338 5.712,339 3.692,340 2.742,341 3.623,342 2.341,343 8.095,344 2.604,345 3.882,346 3.062,347 5.429,348 3.461,349 2.482,350 3.454,351 0.647,352 7.169,353 2.431,354 3.604,355 2.897,356 5.163,357 3.28,358 2.306,359 2.892,360 0.247,361 6.355,362 2.241,363 3.551,364 2.577,365 4.935,366 3.237,367 2.232,368 2.713,370 5.67,371 2.219,372 3.469,373 2.245,374 4.659,375 3.029,376 2.055,377 2.675,379 5.183,380 1.999,381 3.231,382 2.037,383 4.346,384 2.753,385 1.785,386 2.32,388 4.346,389 1.724,390 2.966,391 1.83,392 4.104,393 2.557,394 1.568,395 2.107,397 3.707,398 1.547,399 2.725,400 1.495,401 3.577,402 2.39,403 1.406,404 1.78,406 2.997,407 1.38,408 2.636,409 1.435,410 3.564,411 2.343,412 1.362,413 1.67,415 2.945,416 1.334,417 2.5,418 1.202,419 3.489,420 2.17,421 1.176,422 1.5,424 2.607,425 1.169,426 2.432,427 1.101,428 3.258,429 2,430 1,431 1.42,433 2.136,434 1,435 2.204,436 1,437 3.247,438 1.957,439 1,440 1.062,442 2.136,443 0.954,444 2,445 1,446 3.247,447 1.802,448 0.804,449 1,451 1.923,452 0.799,453 1.322,454 1,455 2.866,456 1.123,457 0.122,458 0.136,460 0.279,461 0.121,462 15.433,463 0.468,464 0.664,465 0.02,466 39.75,467 1.205,468 19.5,469 0.591,470 20.25,471 0.614,472 30.385,473 0.921,474 36.767,475 0.584,476 32.641,477 0.989,478 7.578,479 0.23,480 8.43,481 0.255,482 0.086,484 0.253,487 0.592,488 1.219,489 0.836,490 1.072,491 0.578,492 1.007,493 0.451,494 1.266,495 0.932,496 1.23,497 0.324,498 1.173,499 0.743,500 0.959,501 0.967,502 0.969,503 0.65,504 0.997,505 0.558,506 0.96,507 0.836,508 0.909,509 0.498,510 0.916,511 0.909,512 1.093,513 0.989,514 1.007,515 0.829,516 1.005,517 0.857,518 1.124,519 0.972,520 1.058,521 0.74,522 1.026,523 1.165,524 1.043,525 1.085,526 1.048,527 1.207,528 1.048,529 1.141,530 1.038,531 0.983,532 1.025,533 1.155,534 0.982,535 6,536 0.194,537 2,538 2,539 0.924,540 0.819,541 0.686,542 0.547,543 0.434,544 0.314,545 14665,546 41858,547 2.029,548 47.6,549 10,550 8,551 1,552 2,553 3,554 2,555 4,558 1.759,559 1.922,560 3.579,561 0.832,567 97.266,568 1.544,569 3.696,570 4.719,571 5.382,572 5.501,573 5.501,574 3.052,575 4.681,576 5.013,577 3.774,578 1992.9,579 8.817,580 30699.4,582 1,585 376.569,586 1.28,587 4.986,588 0.171,589 0.006,590 0.044,591 0.045,592 0.02,593 0.016,594 0.013,595 0.011,596 0.009,597 0.008,598 0.345,599 0.17,600 0.88,601 1.471,602 175.889,603 0.096,604 0.036,605 0.027,606 0.061,607 -0.002,608 0.031,609 0.202,610 -0.124,611 -0.045,612 -0.136,613 0.273,614 -0.135,615 -0.037,616 0.063,617 -0.024,618 0.036,619 -0.04,620 0.011,621 0.126,622 0.049,623 0.114,624 0.085,625 0.068,626 0.092,627 -0.105,628 -0.035,629 -0.045,630 0.008,631 -0.089,632 -0.005,633 -0.07,634 -0.066,635 -0.025,636 -0.057,637 -0.03,638 -0.031,639 -0.134,640 -0.031,641 -0.102,642 -0.065,643 -0.132,644 -0.073,645 -0.094,646 -0.071,647 0.011,648 -0.046,649 -0.051,650 -0.002,651 2.479,652 4.188,653 0.545,654 38.213,655 1.003,656 1.131,657 3.283,658 10.781,659 0.647,660 3.584,661 3.829,662 3.989,663 4.234,664 4.419,665 4.443,666 4.564,667 4.682,668 4.691,669 4.736,670 7.51,671 0.616,672 450.59,673 3.584,674 5.081,675 5.878,676 6.718,677 7.536,678 8.386,679 9.217,680 10.072,681 10.909,682 11.768,683 6.3,685 1,688 1,693 1,695 1,699 8,700 1,704 3,706 12,717 1,724 63,726 17,727 1,728 35,730 65,731 25,733 11,734 2,735 4,736 2,739 3,740 3,748 6,751 9,753 16,754 9,756 5,759 1,761 3,763 2,765 3,772 30,773 7,774 3,775 8,779 4,784 1,785 4,795 1,802 3,818 1,822 1,823 1,826 1,827 1,830 1,832 3,840 33,845 1,846 8,847 2,850 1,862 6.3,864 1,865 1,868 2,869 17.167,870 10.767,871 7.472,872 3.99,874 2.389,875 1.329,876 0.934,877 9.611,878 9.654,879 3.85,880 4.344,881 4.745,882 5.261,883 5.721,884 5.916,885 6.297,886 6.639,887 6.877,888 7.143,889 1,890 44,891 12.206,893 5.069,894 7.934,895 23.208,897 18.683,899 2.434,900 80.333,903 1,904 317.82,905 129.304,906 58.477,908 118.575,911 129.304,912 436.395,913 58.477,914 5.67,915 29.324,916 84.344,917 127.077,918 32.736,919 11.771,920 282.506,921 50.747,922 317.82,923 187.781,924 118.575,927 270.735,928 114.913,929 50.747,931 56.382,932 87.126,933 44.273,935 317.82,936 177.052,937 129.304,940 317.82,941 35.828,942 99.146,943 36.022,944 135.361,945 317.82,946 177.052,947 129.304,949 0.558,950 0.293,951 0.164,952 0.092,953 17,954 8,955 0.169,956 11,958 1,959 4.391,960 284.952,962 18,963 160.465,968 24.626,969 12.879,970 8.449,972 171.382,973 14.946,974 4.211,978 2.567,980 78.705,981 624.176,982 46,985 -0.453,987 33.228,989 2.998,991 0.502,994 63.203,995 71.228,996 0.258,997 0.618,998 0.789,999 0.9,1000 0.92,1001 0.92,1002 5.05,1003 1.568,1004 5.814,1005 4.346,1006 4.511,1007 5.03,1008 3.078,1009 6.521,1010 4.468,1011 6.212,1012 1.406,1013 7.298,1014 3.707,1015 3.892,1016 4.677,1017 2.946,1018 7.209,1019 3.825,1020 7.48,1021 1.362,1022 8.881,1023 2.997,1024 5.989,1025 7.078,1026 4.612,1027 10.298,1028 5.905,1029 8.778,1030 1.176,1031 10.528,1032 2.945,1033 6.176,1034 7.516,1035 5.015,1036 11.889,1037 6.073,1038 10.108,1039 1,1040 12.218,1041 2.607,1042 7.73,1043 9.402,1044 6.334,1045 14.476,1046 7.612,1047 11.459,1048 1,1049 13.941,1050 2.136,1051 8.333,1052 10.233,1053 6.969,1054 16.471,1055 8.204,1056 12.827,1057 0.804,1058 15.69,1059 2.136,1060 9.631,1061 11.881,1062 8.122,1063 18.879,1064 9.489,1065 3.03,1066 0.122,1067 17.458,1068 1.923,1069 10.462,1070 12.929,1071 8.883,1072 21.055,1073 10.316,1074 2.742,1075 10.225,1076 19.243,1077 0.279,1078 11.638,1079 14.451,1080 9.946,1081 23.401,1082 11.483,1083 2.482,1084 8.095,1085 21.041,1086 3.988,1087 12.592,1088 15.626,1089 10.78,1090 25.657,1091 12.436,1092 2.306,1093 7.169,1094 22.851,1095 3.623,1096 13.713,1097 17.078,1098 11.794,1099 27.984,1100 13.552,1101 2.232,1102 6.355,1103 24.67,1104 3.454,1105 14.733,1106 18.329,1107 12.672,1108 30.275,1109 14.573,1110 2.055,1111 5.67,1112 26.497,1113 2.892,1114 15.832,1115 19.742,1116 13.659,1117 32.597,1118 15.67,1119 1.785,1120 5.183,1121 28.33,1122 2.713,1123 16.887,1124 21.039,1125 14.565,1126 34.905,1127 16.727,1128 14489,1129 24659,1130 23.345,1131 40.739,1132 50.608,1133 51.831,1134 51.13,1135 50.239,1136 50.14,1137 64.677,1138 11.696,1139 131.544,1140 49.081,1141 5.393,1142 5.688,1143 6.31,1144 5.063,1145 5.03,1146 6.988,1147 4.612,1148 17.029,1149 5.02,1150 15.962,1151 1.446,1152 1.481,1153 1.461,1154 1.435,1155 1.433,1156 1.848,1157 0.334,1158 3.758,1159 1.402,1160 4.024,1161 4.059,1162 3.97,1163 3.953,1164 7.816,1165 3.952,1166 3.895,1167 3.946,1168 3.826,1169 3.758,1170 7.474,1171 3.754,1172 3.811,1173 3.856,1174 3.721,1175 3.712,1176 6.999,1177 3.71,1178 3.744,1179 3.78,1180 3.674,1181 3.55,1182 6.351,1183 3.547,1184 3.693,1185 3.737,1186 3.578,1187 3.446,1188 4.926,1189 3.493,1190 3.391,1191 3.42,1192 3.31,1193 3.217,1194 4.762,1195 3.229,1196 3.28,1197 3.348,1198 3.179,1199 2.97,1200 4.462,1201 2.997,1202 3.111,1203 3.206,1204 2.928,1205 2.941,1206 4.251,1207 2.91,1208 0.126,1209 0.105,1210 0.186,1211 0.115,1212 0.087,1213 4.393,1214 0.114,1215 3.688,1216 0.075,1217 6.508,1218 0.292,1219 4.026,1220 0.086,1221 3.03,1222 3.988,1223 2.612,1224 10.225,1225 3.02,1226 1.979,1227 1.955,1228 2.098,1229 2.082,1230 1.477,1231 2.079,1232 1.876,1233 1.82,1234 2.073,1235 2.032,1236 1.283,1237 2.048,1238 1.792,1239 1.755,1240 1.926,1241 1.954,1242 1.126,1243 1.929,1244 1.678,1245 1.629,1246 1.887,1247 1.882,1248 0.947,1249 1.869,1250 1.574,1251 1.529,1252 1.691,1253 1.854,1254 0.843,1255 1.83,1256 1.326,1257 1.293,1258 1.526,1259 1.547,1260 0.825,1261 1.529,1262 1.166,1263 1.091,1264 1.513,1265 1.494,1266 0.678,1267 1.474,1268 1.153,1269 1.064,1270 1.449,1271 1.376,1272 0.597,1273 1.429,1274 4.263,1276 5.525,1278 6.967,1280 8.494,1282 10.068,1289 8.915,1290 6.724,1291 6.471,1294 0.223,1300 38.793,1301 97.266,1302 232.843,1303 297.284,1304 339.059,1305 346.569,1306 346.569,1307 80.632,1308 7.265,1309 120.07,1310 120.07,1311 18,1312 12.325,1313 4.17,1314 3.585,1315 63.817,1316 147,1317 151,1318 0.207,1319 242.287,1320 434.94,1321 582.94,1322 13489,1324 23.468,1325 0.711,1326 0.563,1327 23.468,1328 18.574,1329 16.008,1330 0.457,1331 0.324,1332 11.201,1333 15.4,1334 11.017,1335 9.182,1336 16.008,1337 11.327,1338 14.004,1339 0.311,1340 0.181,1341 14.004,1342 8.159,1343 10.116,1344 0.191,1345 0.105,1346 10.116,1347 5.568,1348 8.608,1349 0.127,1350 0.059,1351 8.608,1352 4.022,1353 6.748,1354 0.082,1355 0.034,1356 6.748,1357 2.789,1358 0.325,1359 100.456,1360 0.207,1361 30.806,1362 0.565,1363 160,1364 497.312,1365 175.822,1366 479.998,1367 630.71,1368 442,1369 178,1370 451.017,1371 191.197,1372 451.054,1373 639.25,1374 423,1375 6.509} {0 CHEMBL21476,1 1.481,2 12.406,3 4.997,4 24.972,5 128.004,6 6.883,7 0.364,8 4.188,9 4.323,10 3.659,11 3.71,12 5.328,13 3.669,14 4.697,15 4.894,16 3.962,17 4.071,18 5.811,19 3.991,20 4.985,21 5.221,22 3.951,23 4.221,24 5.962,25 4.106,26 5.06,27 5.331,28 4.018,29 4.237,30 5.98,31 4.115,32 5.026,33 5.256,34 4.065,35 4.297,36 6.029,37 4.198,38 5.156,39 5.411,40 4.093,41 4.375,42 6.142,43 4.244,44 5.107,45 5.352,46 3.984,47 4.315,48 6.156,49 4.179,50 5.068,51 5.344,52 3.888,53 4.224,54 5.948,55 4.073,56 0.056,57 0.901,58 13.735,59 5.632,60 16.114,61 7.887,62 0.302,63 1.382,64 24.058,65 9.542,66 50.505,67 13.551,68 0.329,69 1.707,70 33.321,71 11.371,72 58.429,73 16.929,74 0.321,75 1.759,76 36.426,77 12.992,78 61.152,79 19.37,80 0.372,81 1.834,82 34.604,83 11.426,84 56.152,85 17.185,86 0.291,87 1.977,88 39.552,89 14.481,90 65.865,91 21.473,92 0.375,93 1.913,94 37.738,95 12.979,96 85.935,97 19.412,98 0.285,99 1.754,100 36.692,101 12.967,102 53.168,103 19.589,104 66,105 43,106 0.238,107 0.597,108 0.76,109 0.834,110 0.849,111 0.849,112 3.502,113 0.976,114 -4.71,115 -4.63,116 -4.35,118 39.7,119 3,120 5,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 14,169 1,172 6,175 4,176 1,177 3,180 19,181 1,186 3,191 3,194 16,195 1,197 1,198 5,201 1,203 11,206 15,207 1,210 6,215 5,218 14,219 1,222 10,227 5,229 17,230 1,234 7,237 1,239 5,242 15,243 1,247 6,252 4,255 12,256 2,258 1,259 7,262 1,264 5,267 9,268 3,270 2138,271 21.06,272 21.06,273 21.06,274 21.06,275 21.06,276 18.805,277 20.636,278 13.141,279 21.382,280 16.351,281 16.351,282 16.351,283 16.351,284 16.351,285 12.948,286 27.23,287 6.267,288 16.837,289 4.497,290 2.258,291 1.243,292 0.782,293 0.687,294 0.687,295 4.169,299 1,300 1,301 793,302 5.148,306 252.618,313 2.207,314 26.709,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68.5,326 397,327 4.394,328 3.922,329 6.509,330 4.104,331 3.141,332 3.988,333 2.341,334 10.235,335 3.03,336 4.256,337 3.596,338 6.456,339 4.023,340 3.026,341 3.533,342 1.374,343 10.191,344 3.012,345 3.922,346 3.376,347 5.58,348 3.547,349 2.586,350 3.375,351 1.107,352 7.657,353 2.492,354 3.635,355 3.053,356 5.224,357 3.241,358 2.24,359 2.864,360 0.268,361 6.465,362 2.223,363 3.55,364 2.797,365 4.868,366 3.191,367 2.235,368 2.71,370 5.481,371 2.125,372 3.468,373 2.401,374 4.659,375 2.928,376 1.964,377 2.581,379 5.184,380 1.886,381 3.253,382 2.083,383 4.127,384 2.727,385 1.731,386 2.156,388 3.825,389 1.718,390 2.974,391 1.899,392 3.711,393 2.462,394 1.488,395 1.835,397 3.268,398 1.447,399 2.789,400 1.568,401 3.504,402 2.207,403 1.221,404 1.753,406 2.68,407 1.202,408 2.662,409 1.406,410 3.434,411 2.148,412 1.151,413 1.668,415 2.505,416 1.146,417 2.503,418 1.199,419 3.247,420 1.956,421 1.023,422 1.5,424 2.136,425 0.954,426 2.5,427 1,428 3.215,429 1.933,430 1,431 1.441,433 1.758,434 0.93,435 1.933,436 0.903,437 3.065,438 1.672,439 0.675,440 0.817,442 1.558,443 0.671,444 1.317,445 0.669,446 3,447 1.097,448 0.097,449 0.105,451 0.215,452 0.096,453 1.243,454 0.534,455 2.487,456 0.88,457 -0.057,458 -0.071,460 -0.162,461 -0.054,462 15.167,463 0.474,464 0.805,465 0.025,466 39.25,467 1.227,468 20,469 0.625,470 19.25,471 0.602,472 30.468,473 0.952,474 35.233,475 0.559,476 31.24,477 0.976,478 7.458,479 0.233,480 7.823,481 0.244,482 0.169,483 0.033,484 0.198,487 0.852,488 1.335,489 0.907,490 1.143,491 0.674,492 1.048,493 0.42,494 1.079,495 0.854,496 1.101,497 0.338,498 1.047,499 1.075,500 1.065,501 1.133,502 1.047,503 0.888,504 1.084,505 0.631,506 0.971,507 0.748,508 0.891,509 0.543,510 0.849,511 1.139,512 0.985,513 1.145,514 0.957,515 0.831,516 1.022,517 0.7,518 1.082,519 0.918,520 1.037,521 0.72,522 1.012,523 0.955,524 1.092,525 1.189,526 1.135,527 1.236,528 1.176,529 0.65,530 1.028,531 0.915,532 1.009,533 0.571,534 0.995,535 7,536 0.264,537 2.222,538 2.063,539 1.093,540 0.924,541 0.647,542 0.47,543 0.353,544 0.336,545 12957,546 36752,547 1.936,548 49.2,549 8,550 7,552 2,553 3,554 2,555 9,558 1.749,559 1.803,560 3.545,561 0.822,567 93.283,568 1.481,569 3.719,570 4.734,571 5.195,572 5.29,573 5.29,574 3.031,575 4.438,576 4.964,577 3.814,578 1891.94,579 8.715,580 28979,582 1,585 376.569,586 1.508,587 4.915,588 0.212,589 0.007,590 0.052,591 0.05,592 0.024,593 0.02,594 0.013,595 0.011,596 0.009,597 0.009,598 0.408,599 0.17,600 0.88,601 2.218,602 169.973,603 -0.067,604 -0.1,605 0.009,606 -0.01,607 -0.028,608 0.005,609 0.309,610 0.038,611 0.079,612 -0.027,613 0.25,614 -0.013,615 -0.172,616 -0.008,617 -0.166,618 -0.045,619 -0.137,620 -0.094,621 0.098,622 -0.014,623 0.212,624 0.114,625 0.086,626 0.163,627 -0.222,628 0.119,629 -0.175,630 0.034,631 -0.134,632 -0.044,633 -0.012,634 -0.09,635 0.029,636 -0.01,637 -0.008,638 0.009,639 -0.136,640 -0.043,641 -0.229,642 -0.137,643 -0.195,644 -0.186,645 0.001,646 -0.066,647 0.037,648 -0.008,649 0.004,650 0.015,651 2.416,652 3.681,653 0.375,654 39.488,655 0.994,656 1.132,657 3.484,658 12.137,659 0.648,660 3.526,661 3.784,662 3.871,663 4.111,664 4.263,665 4.304,666 4.369,667 4.477,668 4.511,669 4.554,670 7.686,671 0.609,672 433.61,673 3.526,674 5.03,675 5.808,676 6.658,677 7.461,678 8.321,679 9.137,680 10.002,681 10.828,682 11.696,683 7.9,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 63,726 16,727 1,728 33,730 64,731 25,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 3,751 5,752 1,753 15,754 9,755 1,756 3,761 1,763 1,764 1,765 3,772 31,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 3,840 32,845 1,846 5,847 2,852 1,853 1,858 1,860 1,862 3.2,864 1,865 1,869 17.75,870 11.967,871 7.264,872 3.819,874 2.443,875 1.351,876 0.905,877 9.917,878 9.403,879 3.807,880 4.277,881 4.682,882 5.214,883 5.671,884 5.869,885 6.214,886 6.548,887 6.786,888 7.04,889 1,890 41,891 11.755,893 4.696,894 7.852,895 22.356,897 17.325,899 2.352,900 75.25,903 1,904 329.591,905 154.872,906 100.652,908 67.828,911 154.872,912 397.419,913 100.652,914 26.476,915 12.673,916 84.344,917 143.25,918 78.253,919 1.899,920 306.049,922 329.591,923 255.524,924 67.828,927 223.651,928 173.768,931 123.099,932 88.153,933 44.273,935 329.591,936 168.48,937 154.872,940 329.591,941 27.795,942 110.904,943 52.194,944 132.459,945 329.591,946 168.48,947 154.872,949 0.559,950 0.279,951 0.156,952 0.086,953 15,954 8,955 0.188,956 12,958 1,959 4.242,960 262.61,962 12,963 155.245,968 25.108,969 12.639,970 9.688,972 168.48,973 15.431,974 4.257,978 2.832,980 78.705,981 652.943,982 44,987 10.681,989 2.175,990 4.523,991 0.7,994 62.65,995 71.308,996 0.248,997 0.622,998 0.792,999 0.869,1000 0.885,1001 0.885,1002 5.024,1003 1.488,1004 5.79,1005 3.825,1006 4.466,1007 4.963,1008 2.745,1009 6.538,1010 4.413,1011 6.22,1012 1.221,1013 7.307,1014 3.268,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.038,1020 7.506,1021 1.151,1022 8.937,1023 2.68,1024 6.038,1025 7.01,1026 3.836,1027 10.504,1028 5.936,1029 8.824,1030 1.023,1031 10.636,1032 2.505,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.357,1038 10.169,1039 1,1040 12.38,1041 2.136,1042 7.92,1043 9.33,1044 5.275,1045 14.861,1046 7.774,1047 11.535,1048 0.675,1049 14.156,1050 1.758,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.559,1056 12.917,1057 0.097,1058 15.952,1059 1.558,1060 9.973,1061 11.802,1062 6.873,1063 19.385,1064 9.784,1065 3.141,1066 -0.057,1067 17.765,1068 0.215,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.741,1074 3.026,1075 10.235,1076 19.589,1077 -0.162,1078 12.121,1079 14.366,1080 8.533,1081 23.978,1082 11.889,1083 2.586,1084 10.191,1085 21.422,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.924,1092 2.24,1093 7.657,1094 23.262,1095 3.533,1096 14.32,1097 16.991,1098 10.218,1099 28.601,1100 14.042,1101 2.235,1102 6.465,1103 25.108,1104 3.375,1105 15.416,1106 18.236,1107 11.051,1108 30.911,1109 15.114,1110 1.964,1111 5.481,1112 26.958,1113 2.864,1114 16.546,1115 19.657,1116 11.913,1117 33.237,1118 16.221,1119 1.731,1120 5.184,1121 28.811,1122 2.71,1123 17.659,1124 20.952,1125 12.756,1126 35.554,1127 17.31,1128 13322,1129 22550,1130 21.148,1131 40.836,1132 49.01,1133 50.701,1134 48.225,1135 47.237,1136 47.155,1137 60.654,1138 10.181,1139 126.314,1140 45.861,1141 5.282,1142 5.922,1143 6.333,1144 5.14,1145 5.141,1146 6.988,1147 3.925,1148 17.041,1149 5.03,1150 19.31,1151 1.485,1152 1.536,1153 1.461,1154 1.431,1155 1.429,1156 1.838,1157 0.309,1158 3.828,1159 1.39,1160 4.014,1161 4.047,1162 3.961,1163 3.951,1164 7.474,1165 3.949,1166 3.824,1167 3.876,1168 3.761,1169 3.717,1170 6.826,1171 3.72,1172 3.752,1173 3.805,1174 3.653,1175 3.617,1176 6.351,1177 3.608,1178 3.744,1179 3.798,1180 3.615,1181 3.602,1182 4.929,1183 3.601,1184 3.526,1185 3.57,1186 3.413,1187 3.37,1188 4.803,1189 3.37,1190 3.437,1191 3.515,1192 3.35,1193 3.186,1194 4.626,1195 3.224,1196 3.244,1197 3.283,1198 3.14,1199 3.07,1200 4.265,1201 3.079,1202 3.052,1203 3.13,1204 2.969,1205 2.828,1206 4.124,1207 2.853,1208 0.133,1209 0.119,1210 0.197,1211 0.124,1212 0.095,1213 4.394,1214 0.121,1215 3.922,1216 0.071,1217 6.509,1218 0.31,1219 4.104,1220 0.092,1221 3.141,1222 3.988,1223 2.341,1224 10.235,1225 3.03,1226 1.978,1227 1.954,1228 2.081,1229 2.061,1230 1.359,1231 2.068,1232 1.8,1233 1.76,1234 1.986,1235 1.955,1236 1.181,1237 1.961,1238 1.745,1239 1.692,1240 1.962,1241 1.909,1242 1.137,1243 1.93,1244 1.727,1245 1.666,1246 1.902,1247 1.879,1248 0.994,1249 1.894,1250 1.497,1251 1.45,1252 1.73,1253 1.695,1254 0.92,1255 1.702,1256 1.333,1257 1.257,1258 1.467,1259 1.617,1260 0.592,1261 1.587,1262 1.197,1263 1.154,1264 1.417,1265 1.413,1266 0.469,1267 1.41,1268 0.965,1269 0.897,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.205,1276 5.476,1278 6.917,1280 8.441,1282 10.014,1284 5.887,1289 8.784,1290 3.531,1291 5.804,1296 -0.342,1298 9.062,1299 1.926,1300 38.385,1301 93.283,1302 234.309,1303 298.265,1304 327.284,1305 333.284,1306 333.284,1307 84.705,1308 6.96,1309 110.4,1310 110.4,1311 12,1312 12.25,1313 4.087,1314 3.585,1315 76.499,1316 141,1317 170,1318 0.253,1319 245.555,1320 438.08,1321 590.914,1322 8800,1324 23.399,1325 0.731,1326 0.592,1327 23.399,1328 18.929,1329 15.281,1330 0.463,1331 0.325,1332 10.629,1333 14.807,1334 10.235,1335 8.667,1336 15.281,1337 10.731,1338 13.895,1339 0.323,1340 0.196,1341 13.895,1342 8.426,1343 9.018,1344 0.192,1345 0.095,1346 9.018,1347 4.474,1348 7.689,1349 0.128,1350 0.052,1351 7.689,1352 3.145,1353 5.809,1354 0.083,1355 0.029,1356 5.809,1357 2.019,1358 0.401,1359 94.938,1360 0.217,1361 30.22,1362 0.687,1363 152,1364 435.486,1365 164.893,1366 433.322,1367 574.81,1368 400,1369 166,1370 409.512,1371 175.985,1372 421.172,1373 591.8,1374 392,1375 8.301} {0 CHEMBL21478,1 1.498,2 11.742,3 4.541,4 20.621,5 123.403,6 6.993,7 0.375,8 4.143,9 4.277,10 3.629,11 3.666,12 5.302,13 3.629,14 4.644,15 4.838,16 3.936,17 4.024,18 5.783,19 3.951,20 4.926,21 5.156,22 3.925,23 4.174,24 5.93,25 4.067,26 5.005,27 5.273,28 3.993,29 4.192,30 5.948,31 4.076,32 4.97,33 5.193,34 4.041,35 4.254,36 5.999,37 4.163,38 5.107,39 5.357,40 4.07,41 4.335,42 6.125,43 4.21,44 5.057,45 5.301,46 3.956,47 4.277,48 6.1,49 4.143,50 5.027,51 5.301,52 3.89,53 4.178,54 5.939,55 4.037,56 0.05,57 0.863,58 12.854,59 5.295,60 16.046,61 7.355,62 0.29,63 1.319,64 22.53,65 8.954,66 50.221,67 12.651,68 0.316,69 1.628,70 31.167,71 10.604,72 57.968,73 15.668,74 0.308,75 1.68,76 34.489,77 12.265,78 61.19,79 18.223,80 0.36,81 1.755,82 32.384,83 10.646,84 55.199,85 15.883,86 0.277,87 1.898,88 37.508,89 13.74,90 65.99,91 20.277,92 0.331,93 1.844,94 35.547,95 12.354,96 77.709,97 18.472,98 0.248,99 1.685,100 35.209,101 12.369,102 48.319,103 18.665,104 65,105 42,106 0.243,107 0.611,108 0.766,109 0.83,110 0.846,111 0.846,112 3.471,113 0.959,114 -4.51,115 -4.43,116 -4.17,118 40,119 3,120 4,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 13,169 1,172 6,175 4,176 1,177 3,180 18,181 1,186 3,191 3,194 15,195 1,197 1,198 5,201 1,203 11,206 14,207 1,210 6,215 5,218 13,219 1,222 10,227 5,229 16,230 1,234 7,237 1,239 5,242 13,243 2,247 7,252 5,255 9,256 3,258 1,259 7,260 1,262 1,264 6,267 7,268 2,270 1911,271 20.353,272 20.353,273 20.353,274 20.353,275 20.353,276 18.098,277 20.636,278 12.641,279 20.675,280 15.851,281 15.851,282 15.851,283 15.851,284 15.851,285 12.448,286 27.23,287 6.017,288 16.337,289 4.409,290 2.138,291 1.18,292 0.788,293 0.688,294 0.688,295 4.138,299 1,300 1,301 727,302 5.05,306 242.237,313 1.992,314 26.513,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 66.5,326 364,327 4.394,328 3.922,329 6.509,330 4.104,331 3.141,332 3.988,333 2.341,334 10.235,335 3.03,336 4.256,337 3.596,338 6.456,339 4.023,340 3.026,341 3.533,342 1.374,343 10.191,344 3.012,345 3.922,346 3.376,347 5.58,348 3.547,349 2.586,350 3.375,351 1.107,352 7.657,353 2.492,354 3.635,355 3.053,356 5.224,357 3.24,358 2.24,359 2.864,360 0.268,361 6.465,362 2.222,363 3.55,364 2.797,365 4.868,366 3.191,367 2.234,368 2.71,370 5.481,371 2.125,372 3.467,373 2.401,374 4.659,375 2.924,376 1.961,377 2.581,379 5.184,380 1.88,381 3.252,382 2.08,383 4.123,384 2.652,385 1.657,386 2.155,388 3.785,389 1.643,390 2.971,391 1.878,392 3.636,393 2.433,394 1.459,395 1.812,397 3.119,398 1.418,399 2.757,400 1.508,401 3.501,402 2.19,403 1.202,404 1.733,406 2.645,407 1.186,408 2.651,409 1.307,410 3.373,411 1.999,412 1.023,413 1.664,415 2.282,416 0.995,417 2.5,418 1.193,419 3.247,420 1.955,421 1,422 1.5,424 2.136,425 0.953,426 2.392,427 1,428 3.215,429 1.933,430 1,431 1.292,433 1.756,434 0.93,435 1.652,436 0.729,437 3.032,438 1.446,439 0.447,440 0.521,442 1.028,443 0.445,444 1.317,445 0.669,446 2.833,447 0.88,448 -0.057,449 -0.071,451 -0.162,452 -0.054,453 1.227,454 0.427,455 2.33,456 0.738,457 -0.263,458 -0.287,460 -0.591,461 -0.26,462 14.667,463 0.473,464 0.805,465 0.026,466 38.75,467 1.25,468 20,469 0.645,470 18.75,471 0.605,472 28.568,473 0.922,474 33.933,475 0.566,476 30.902,477 0.997,478 7.458,479 0.241,480 7.323,481 0.236,482 0.175,483 0.034,484 0.205,487 0.854,488 1.328,489 0.891,490 1.129,491 0.678,492 1.031,493 0.42,494 1.062,495 0.833,496 1.081,497 0.341,498 1.026,499 1.098,500 1.071,501 1.152,502 1.053,503 0.909,504 1.094,505 0.638,506 0.971,507 0.744,508 0.887,509 0.551,510 0.844,511 1.161,512 0.987,513 1.164,514 0.957,515 0.848,516 1.028,517 0.706,518 1.086,519 0.922,520 1.041,521 0.705,522 1.017,523 0.837,524 1.102,525 1.17,526 1.151,527 1.13,528 1.187,529 0.613,530 1.041,531 0.869,532 1.02,533 0.537,534 0.98,535 7,536 0.264,537 2.222,538 2.063,539 1.093,540 0.924,541 0.606,542 0.47,543 0.451,544 0.316,545 11628,546 33737,547 1.934,548 48.3,549 6,550 7,552 2,553 3,554 2,555 9,558 1.742,559 1.797,560 3.493,561 0.844,567 89.883,568 1.498,569 3.769,570 4.727,571 5.119,572 5.219,573 5.219,574 2.922,575 4.607,576 4.92,577 3.736,578 1737.05,579 8.63,580 25768.2,582 1,585 354.413,586 1.532,587 4.867,588 0.219,589 0.008,590 0.053,591 0.052,592 0.025,593 0.02,594 0.013,595 0.012,596 0.012,597 0.009,598 0.421,599 0.17,600 0.88,601 2.1,602 162.344,603 -0.073,604 -0.103,605 0.008,606 -0.01,607 -0.036,608 0.006,609 0.312,610 0.052,611 0.091,612 -0.015,613 0.249,615 -0.19,616 -0.009,617 -0.191,618 -0.054,619 -0.154,620 -0.11,621 0.095,622 -0.015,623 0.218,624 0.119,625 0.082,626 0.17,627 -0.241,628 0.125,629 -0.202,630 0.03,631 -0.151,632 -0.058,633 -0.018,634 -0.095,635 0.022,636 -0.014,637 0.007,638 0.003,639 -0.111,640 -0.051,641 -0.224,642 -0.153,643 -0.191,644 -0.194,645 0.038,646 -0.085,647 0.086,648 -0.022,649 0.038,650 0.032,651 2.436,652 3.733,653 0.387,654 36.256,655 0.996,656 1.132,657 3.276,658 10.734,659 0.651,660 3.497,661 3.761,662 3.85,663 4.094,664 4.248,665 4.29,666 4.357,667 4.477,668 4.511,669 4.511,670 7.331,671 0.614,672 419.58,673 3.497,674 5.004,675 5.784,676 6.637,677 7.442,678 8.305,679 9.124,680 9.991,681 10.818,682 11.687,683 8.3,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 60,726 16,727 1,728 32,730 61,731 24,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 3,751 4,752 1,753 15,754 8,755 1,756 3,761 1,763 1,764 1,765 3,769 1,772 29,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 3,840 31,845 1,846 4,847 2,852 1,853 1,858 1,860 1,862 3.3,864 1,865 1,869 17.25,870 11.467,871 7.014,872 3.569,874 2.458,875 1.356,876 0.905,877 9.244,878 9.367,879 3.784,880 4.263,881 4.673,882 5.208,883 5.667,884 5.866,885 6.216,886 6.551,887 6.8,888 7.04,889 0.875,890 40,891 11.378,893 4.556,894 7.879,895 21.54,897 16.658,899 2.379,900 73.75,903 1,904 306.049,905 152.338,906 100.652,908 67.828,911 152.338,912 373.877,913 100.652,914 26.476,915 10.138,916 84.344,917 143.25,918 78.253,919 1.899,920 282.506,922 306.049,923 252.99,924 67.828,927 200.109,928 173.768,931 120.564,932 88.153,933 44.273,935 306.049,936 168.48,937 152.338,940 306.049,941 25.261,942 110.904,943 52.194,944 132.459,945 306.049,946 168.48,947 152.338,949 0.561,950 0.28,951 0.157,952 0.087,953 15,954 8,955 0.18,956 11,958 1,959 4.13,960 253.406,962 12,963 148.825,968 24.117,969 11.883,970 9.026,972 168.48,973 15.289,974 4.235,978 2.767,980 78.705,981 626.867,982 43,987 10.733,989 2.121,990 4.51,991 0.635,994 59.767,995 67.893,996 0.254,997 0.638,998 0.8,999 0.867,1000 0.884,1001 0.884,1002 5.004,1003 1.459,1004 5.771,1005 3.785,1006 4.443,1007 4.949,1008 2.745,1009 6.526,1010 4.388,1011 6.206,1012 1.202,1013 7.294,1014 3.119,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.038,1020 7.496,1021 1.023,1022 8.928,1023 2.645,1024 6.023,1025 7.004,1026 3.836,1027 10.501,1028 5.92,1029 8.816,1030 1,1031 10.63,1032 2.282,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.357,1038 10.164,1039 1,1040 12.377,1041 2.136,1042 7.912,1043 9.328,1044 5.275,1045 14.861,1046 7.765,1047 11.531,1048 0.447,1049 14.153,1050 1.756,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.559,1056 12.915,1057 -0.057,1058 15.951,1059 1.028,1060 9.97,1061 11.801,1062 6.873,1063 19.385,1064 9.78,1065 3.141,1066 -0.263,1067 17.764,1068 -0.162,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.741,1074 3.026,1075 10.235,1076 19.589,1077 -0.591,1078 12.12,1079 14.366,1080 8.533,1081 23.978,1082 11.887,1083 2.586,1084 10.191,1085 21.422,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.924,1092 2.24,1093 7.657,1094 23.262,1095 3.533,1096 14.319,1097 16.991,1098 10.218,1099 28.601,1100 14.041,1101 2.234,1102 6.465,1103 25.108,1104 3.375,1105 15.416,1106 18.236,1107 11.051,1108 30.911,1109 15.114,1110 1.961,1111 5.481,1112 26.958,1113 2.864,1114 16.546,1115 19.657,1116 11.913,1117 33.237,1118 16.221,1119 1.657,1120 5.184,1121 28.811,1122 2.71,1123 17.659,1124 20.952,1125 12.756,1126 35.554,1127 17.31,1128 11974,1129 20509,1130 20.455,1131 39.074,1132 47.859,1133 49.445,1134 47.008,1135 46.002,1136 45.954,1137 59.459,1138 10.181,1139 123.927,1140 44.66,1141 5.253,1142 5.922,1143 6.31,1144 5.14,1145 5.141,1146 6.988,1147 3.925,1148 17.041,1149 5.03,1150 18.802,1151 1.496,1152 1.545,1153 1.469,1154 1.438,1155 1.436,1156 1.858,1157 0.318,1158 3.873,1159 1.396,1160 4.013,1161 4.046,1162 3.96,1163 3.95,1164 7.474,1165 3.949,1166 3.824,1167 3.876,1168 3.761,1169 3.717,1170 6.826,1171 3.72,1172 3.746,1173 3.801,1174 3.652,1175 3.604,1176 6.351,1177 3.604,1178 3.725,1179 3.775,1180 3.599,1181 3.587,1182 4.929,1183 3.578,1184 3.475,1185 3.535,1186 3.376,1187 3.308,1188 4.803,1189 3.314,1190 3.425,1191 3.482,1192 3.337,1193 3.178,1194 4.626,1195 3.216,1196 3.159,1197 3.201,1198 3.061,1199 2.973,1200 4.259,1201 2.985,1202 3.04,1203 3.114,1204 2.95,1205 2.825,1206 4.122,1207 2.847,1208 0.137,1209 0.123,1210 0.203,1211 0.128,1212 0.098,1213 4.394,1214 0.125,1215 3.922,1216 0.073,1217 6.509,1218 0.32,1219 4.104,1220 0.095,1221 3.141,1222 3.988,1223 2.341,1224 10.235,1225 3.03,1226 1.978,1227 1.954,1228 2.078,1229 2.061,1230 1.326,1231 2.067,1232 1.799,1233 1.76,1234 1.972,1235 1.954,1236 1.16,1237 1.957,1238 1.727,1239 1.669,1240 1.948,1241 1.886,1242 1.135,1243 1.907,1244 1.716,1245 1.662,1246 1.899,1247 1.879,1248 0.953,1249 1.893,1250 1.427,1251 1.385,1252 1.644,1253 1.642,1254 0.835,1255 1.633,1256 1.326,1257 1.25,1258 1.457,1259 1.601,1260 0.473,1261 1.578,1262 1.102,1263 1.062,1264 1.417,1265 1.326,1266 0.469,1267 1.317,1268 0.961,1269 0.892,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.174,1276 5.451,1278 6.897,1280 8.425,1282 10.002,1284 5.868,1289 8.824,1290 2.377,1291 5.778,1296 -0.347,1298 9.043,1299 1.917,1300 36.858,1301 89.883,1302 226.133,1303 283.619,1304 307.129,1305 313.129,1306 313.129,1307 79.934,1308 6.91,1309 110.4,1310 110.4,1311 12,1312 12.24,1313 4.087,1314 3.585,1315 72.565,1316 131,1317 150,1318 0.261,1319 235.962,1320 420.78,1321 567.508,1322 8142,1324 22.692,1325 0.732,1326 0.588,1327 22.692,1328 18.222,1329 14.781,1330 0.462,1331 0.32,1332 10.129,1333 14.307,1334 9.745,1335 8.25,1336 14.781,1337 10.231,1338 13.542,1339 0.322,1340 0.192,1341 13.542,1342 8.073,1343 8.768,1344 0.191,1345 0.092,1346 8.768,1347 4.224,1348 7.512,1349 0.127,1350 0.05,1351 7.512,1352 2.968,1353 5.684,1354 0.082,1355 0.028,1356 5.684,1357 1.901,1358 0.41,1359 91.938,1360 0.221,1361 29.301,1362 0.713,1363 148,1364 431.486,1365 160.893,1366 429.16,1367 569.05,1368 396,1369 162,1370 405.512,1371 171.985,1372 417.01,1373 586.04,1374 388,1375 8.222} {0 CHEMBL21513,1 1.517,2 11.667,3 4.345,4 18.882,5 118.742,6 7.115,7 0.387,8 4.097,9 4.228,10 3.597,11 3.62,12 5.27,13 3.588,14 4.588,15 4.779,16 3.869,17 3.969,18 5.733,19 3.894,20 4.854,21 5.085,22 3.889,23 4.101,24 5.857,25 3.998,26 4.915,27 5.178,28 3.922,29 4.111,30 5.898,31 4.007,32 4.852,33 5.061,34 4.01,35 4.172,36 5.917,37 4.088,38 4.999,39 5.236,40 4.013,41 4.252,42 6.019,43 4.145,44 5.041,45 5.3,46 3.983,47 4.235,48 6.052,49 4.109,50 4.958,51 5.209,52 3.918,53 4.101,54 6.086,55 3.996,56 0.044,57 0.824,58 11.964,59 4.958,60 15.469,61 6.82,62 0.29,63 1.246,64 20.991,65 8.399,66 49.556,67 11.752,68 0.256,69 1.505,70 28.804,71 10.146,72 53.378,73 14.813,74 0.365,75 1.558,76 31.614,77 10.604,78 63.448,79 15.783,80 0.216,81 1.579,82 27.959,83 10.158,84 47.298,85 14.708,86 0.307,87 1.784,88 33.2,89 11.263,90 56.182,91 16.846,92 0.266,93 1.772,94 35.233,95 12.5,96 58.16,97 18.642,98 0.256,99 1.595,100 32.647,101 10.691,102 68.731,103 15.979,104 56,105 39,106 0.248,107 0.631,108 0.814,109 0.876,110 0.882,111 0.882,112 3.44,113 0.957,114 -4.3,115 -4.23,116 -4,118 40.4,119 2,120 3,121 1,124 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 14,169 1,172 4,175 4,176 1,177 3,180 15,181 1,186 5,191 3,194 14,195 1,197 1,198 5,201 1,203 7,206 13,207 1,210 6,215 9,218 12,219 1,222 8,227 5,229 10,230 2,234 10,237 1,239 6,242 10,243 3,247 7,248 1,252 6,255 7,256 2,258 2,259 6,262 2,264 4,265 1,267 6,268 1,270 1740,271 20.112,272 20.112,273 20.112,274 20.112,275 20.112,276 17.78,277 17.474,278 12.652,279 20.426,280 15.33,281 15.33,282 15.33,283 15.33,284 15.33,285 11.899,286 17.867,287 6.003,288 15.801,289 4.316,290 1.976,291 0.86,292 0.483,293 0.448,294 0.448,295 4.109,299 1,300 1,301 701,302 4.743,306 232.41,313 1.822,314 26.378,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.76,325 64.5,326 350,327 4.393,328 3.921,329 6.508,330 4.026,331 3.03,332 3.987,333 2.341,334 10.225,335 3.019,336 4.003,337 3.596,338 5.619,339 3.595,340 2.652,341 3.501,342 1.374,343 7.781,344 2.515,345 3.778,346 3.098,347 5.277,348 3.318,349 2.354,350 3.109,351 1.107,352 6.635,353 2.265,354 3.551,355 2.99,356 4.923,357 3.237,358 2.232,359 2.781,360 0.268,361 5.619,362 2.219,363 3.465,364 2.493,365 4.659,366 3.118,367 2.137,368 2.706,370 5.183,371 2.088,372 3.38,373 2.188,374 4.596,375 2.927,376 1.961,377 2.19,379 4.995,380 1.887,381 3.117,382 2.069,383 4.114,384 2.567,385 1.579,386 2.131,388 3.729,389 1.556,390 2.969,391 1.848,392 3.564,393 2.377,394 1.398,395 1.798,397 2.947,398 1.365,399 2.726,400 1.479,401 3.496,402 2.185,403 1.196,404 1.733,406 2.624,407 1.182,408 2.637,409 1.211,410 3.261,411 2,412 1.089,413 1.666,415 2.136,416 0.99,417 2.5,418 1.101,419 3.247,420 1.957,421 1,422 1.5,424 1.929,425 0.954,426 2.205,427 1,428 3.157,429 1.802,430 0.805,431 1.062,433 1.906,434 0.799,435 1.683,436 0.981,437 2.953,438 1.407,439 0.48,440 0.524,442 1.018,443 0.444,444 1.296,445 0.587,446 2.59,447 1.123,448 0.122,449 0.136,451 0.278,452 0.121,453 1.224,454 0.483,455 2.294,456 0.756,457 -0.179,458 -0.23,460 -0.373,461 -0.166,462 14.167,463 0.472,464 0.596,465 0.02,466 38.25,467 1.275,468 20,469 0.667,470 18.25,471 0.608,472 25.539,473 0.851,474 32.633,475 0.573,476 30.138,477 1.005,478 7.503,479 0.25,480 6.987,481 0.233,482 0.146,484 0.247,487 0.857,488 1.321,489 0.874,490 1.113,491 0.661,492 1.013,493 0.454,494 1.014,495 0.894,496 1.095,497 0.382,498 1.064,499 0.958,500 1.115,501 1.024,502 1.051,503 0.838,504 1.048,505 0.838,506 0.833,507 0.846,508 0.794,509 0.66,510 0.812,511 0.918,512 1.191,513 1.021,514 1.089,515 0.789,516 1.071,517 0.894,518 1.069,519 1.099,520 1.041,521 0.733,522 1.075,523 0.63,524 1.06,525 0.925,526 1.062,527 0.701,528 1.033,529 0.965,530 1.131,531 0.999,532 1.108,533 1.071,534 1.055,535 5.5,536 0.173,537 2.222,538 1.563,539 1.013,540 0.59,541 0.647,542 0.526,543 0.345,544 0.244,545 10651,546 31314,547 1.959,548 47.4,549 10,550 9,552 2,553 3,554 2,555 1,558 1.734,559 1.837,560 3.519,561 0.867,563 1,567 86.441,568 1.517,569 3.857,570 4.973,571 5.35,572 5.385,573 5.385,574 2.961,575 4.574,576 4.872,577 3.706,578 1611.96,579 8.537,580 23305.4,582 1,584 1,585 332.475,586 1.363,587 4.837,588 0.177,589 0.006,590 0.057,591 0.04,592 0.025,593 0.013,594 0.015,595 0.013,596 0.009,597 0.007,598 0.362,599 0.17,600 0.88,601 2.04,602 155.395,603 -0.079,604 -0.106,605 0.007,606 -0.009,607 -0.024,608 0.007,609 0.28,610 0.096,611 0.018,612 -0.037,613 0.207,614 -0.048,615 -0.108,616 -0.092,617 -0.071,618 -0.039,619 -0.092,620 -0.05,621 -0.01,622 0.154,623 0.129,624 0.187,625 0.013,626 0.179,627 -0.112,628 -0.112,629 -0.089,630 -0.059,631 -0.078,632 -0.071,633 -0.145,634 -0.002,635 -0.154,636 -0.05,637 -0.092,638 -0.091,639 0.028,640 -0.071,641 0.024,642 -0.059,644 -0.023,645 -0.045,646 -0.136,647 -0.021,648 -0.135,649 -0.028,650 -0.077,651 2.462,652 3.801,653 0.4,654 34.533,655 0.998,656 1.131,657 3.065,658 9.395,659 0.655,660 3.466,661 3.689,662 3.829,663 4.043,664 4.234,665 4.248,666 4.382,667 4.454,668 4.443,669 4.431,670 7.153,671 0.62,672 405.55,673 3.466,674 4.949,675 5.733,676 6.564,677 7.377,678 8.219,679 9.048,680 9.896,681 10.734,682 11.587,683 8.8,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 57,726 16,727 1,728 31,730 58,731 23,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 2,751 3,752 1,753 15,754 7,755 1,756 3,761 1,763 1,764 1,765 3,769 1,772 27,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 2,840 30,845 1,846 4,847 2,850 1,853 1,858 1,860 1,862 3.5,864 1,865 1,869 16.333,870 10.55,871 6.972,872 3.453,874 2.473,875 1.361,876 0.916,877 9.571,878 9.331,879 3.761,880 4.22,881 4.644,882 5.18,883 5.664,884 5.822,885 6.232,886 6.542,887 6.764,888 6.996,889 0.875,890 39,891 11.006,893 4.386,894 7.894,895 20.804,897 15.981,899 2.394,900 71.833,902 1,903 1,904 282.506,905 143.084,906 100.652,908 67.828,911 143.084,912 350.335,913 100.652,914 17.65,915 9.709,916 84.344,917 143.25,918 78.253,919 1.899,920 258.964,922 282.506,923 243.736,924 67.828,927 270.735,928 79.599,931 111.31,932 88.153,933 44.273,935 282.506,936 168.48,937 143.084,940 282.506,941 24.832,942 102.079,943 52.194,944 132.459,945 282.506,946 168.48,947 143.084,949 0.55,950 0.288,951 0.157,952 0.091,953 13,954 7,955 0.19,956 11,958 1,959 4.091,960 240.443,962 12,963 145.207,968 23.126,969 12.416,970 8.405,972 168.48,973 15.136,974 4.208,978 2.704,980 78.705,981 594.07,982 42,987 10.801,989 2.042,990 4.41,991 0.582,994 56.883,995 64.478,996 0.26,997 0.661,998 0.853,999 0.917,1000 0.923,1001 0.923,1002 4.956,1003 1.398,1004 5.666,1005 3.729,1006 4.369,1007 4.905,1008 2.745,1009 6.365,1010 4.316,1011 6.128,1012 1.196,1013 7.149,1014 2.947,1015 3.761,1016 4.425,1017 2.331,1018 7.081,1019 3.702,1020 7.391,1021 1.089,1022 8.734,1023 2.624,1024 5.838,1025 6.931,1026 3.836,1027 10.153,1028 5.742,1029 8.685,1030 1,1031 10.385,1032 2.136,1033 6.043,1034 7.256,1035 4.148,1036 11.781,1037 5.948,1038 10.007,1039 0.805,1040 12.08,1041 1.929,1042 7.576,1043 9.236,1044 5.275,1045 14.363,1046 7.452,1047 11.35,1048 0.48,1049 13.81,1050 1.906,1051 8.196,1052 9.99,1053 5.902,1054 16.388,1055 8.079,1056 12.712,1057 0.122,1058 15.565,1059 1.018,1060 9.481,1061 11.703,1062 6.873,1063 18.8,1064 9.344,1065 3.03,1066 -0.179,1067 17.342,1068 0.278,1069 10.327,1070 12.707,1071 7.63,1072 20.996,1073 10.199,1074 2.652,1075 10.225,1076 19.135,1077 -0.373,1078 11.497,1079 14.271,1080 8.533,1081 23.349,1082 11.358,1083 2.354,1084 7.781,1085 20.941,1086 3.987,1087 12.464,1088 15.426,1089 9.344,1090 25.617,1091 12.334,1092 2.232,1093 6.635,1094 22.759,1095 3.501,1096 13.585,1097 16.906,1098 10.218,1099 27.95,1100 13.45,1101 2.137,1102 5.619,1103 24.587,1104 3.109,1105 14.616,1106 18.15,1107 11.051,1108 30.249,1109 14.488,1110 1.961,1111 5.183,1112 26.422,1113 2.781,1114 15.718,1115 19.583,1116 11.913,1117 32.575,1118 15.589,1119 1.579,1120 4.995,1121 28.263,1122 2.706,1123 16.781,1124 20.881,1125 12.756,1126 34.888,1127 16.658,1128 10964,1129 18920,1130 20.167,1131 37.313,1132 45.588,1133 47.329,1134 45.471,1135 44.091,1136 44.07,1137 57.648,1138 10.181,1139 114.009,1140 42.812,1141 5.22,1142 5.921,1143 6.31,1144 5.062,1145 5.03,1146 6.987,1147 3.925,1148 17.028,1149 5.019,1150 16.975,1151 1.471,1152 1.527,1153 1.467,1154 1.422,1155 1.422,1156 1.86,1157 0.328,1158 3.678,1159 1.381,1160 4.011,1161 4.043,1162 3.959,1163 3.949,1164 7.474,1165 3.948,1166 3.818,1167 3.867,1168 3.755,1169 3.715,1170 6.826,1171 3.718,1172 3.729,1173 3.791,1174 3.619,1175 3.582,1176 6.351,1177 3.575,1178 3.695,1179 3.74,1180 3.578,1181 3.549,1182 4.928,1183 3.544,1184 3.494,1185 3.572,1186 3.394,1187 3.265,1188 4.795,1189 3.293,1190 3.376,1191 3.406,1192 3.291,1193 3.193,1194 4.598,1195 3.213,1196 3.112,1197 3.192,1198 3.043,1199 2.867,1200 4.244,1201 2.901,1202 3.029,1203 3.072,1204 2.905,1205 2.829,1206 4.15,1207 2.842,1208 0.142,1209 0.126,1210 0.21,1211 0.13,1212 0.098,1213 4.393,1214 0.129,1215 3.921,1216 0.076,1217 6.508,1218 0.33,1219 4.026,1220 0.097,1221 3.03,1222 3.987,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.795,1233 1.757,1234 1.976,1235 1.943,1236 1.221,1237 1.948,1238 1.719,1239 1.654,1240 1.921,1241 1.88,1242 1.124,1243 1.899,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.943,1249 1.868,1250 1.399,1251 1.333,1252 1.55,1253 1.67,1254 0.675,1255 1.643,1256 1.315,1257 1.269,1258 1.507,1259 1.532,1260 0.538,1261 1.52,1262 1.009,1263 0.951,1264 1.417,1265 1.296,1266 0.469,1267 1.308,1268 0.975,1269 0.915,1270 1.256,1271 1.239,1272 0.361,1273 1.277,1274 4.143,1276 5.389,1278 6.812,1280 8.324,1282 9.89,1284 4.118,1289 8.876,1290 1.94,1291 5.744,1294 0.375,1298 8.991,1299 1.908,1300 35.331,1301 86.441,1302 219.832,1303 283.455,1304 304.965,1305 306.965,1306 306.965,1307 73.138,1308 6.858,1309 110.4,1310 110.4,1311 12,1312 12.147,1313 4.087,1314 3.585,1315 68.762,1316 124,1317 130,1318 0.262,1319 226.37,1320 403.48,1321 544.103,1322 7645,1324 21.769,1325 0.726,1326 0.577,1327 21.769,1328 17.299,1329 14.49,1330 0.467,1331 0.319,1332 9.781,1333 14.018,1334 9.477,1335 8.018,1336 14.49,1337 9.886,1338 12.395,1339 0.318,1340 0.184,1341 12.395,1342 7.171,1343 8.769,1344 0.195,1345 0.092,1346 8.769,1347 4.141,1348 7.115,1349 0.127,1350 0.049,1351 7.115,1352 2.762,1353 5.72,1354 0.084,1355 0.027,1356 5.72,1357 1.867,1358 0.411,1359 90.267,1360 0.223,1361 28.514,1362 0.719,1363 140,1364 423.486,1365 152.227,1366 419.31,1367 554.87,1368 388,1369 154,1370 390.808,1371 163.985,1372 400.259,1373 565.26,1374 374,1375 7.602} {0 CHEMBL21570,1 1.508,2 11.219,3 3.848,4 14.806,5 125.94,6 7.281,7 0.364,8 4.127,9 4.253,10 3.646,11 3.681,12 5.346,13 3.648,14 4.614,15 4.796,16 3.96,17 4.036,18 5.768,19 3.973,20 4.916,21 5.13,22 4.006,23 4.204,24 6.003,25 4.111,26 5.05,27 5.32,28 4.067,29 4.25,30 6.101,31 4.138,32 4.952,33 5.151,34 4.134,35 4.323,36 6.075,37 4.24,38 5.117,39 5.344,40 4.181,41 4.412,42 6.239,43 4.299,44 5.121,45 5.365,46 4.052,47 4.331,48 6.283,49 4.211,50 5.024,51 5.287,52 3.983,53 4.18,54 6.097,55 4.067,56 0.043,57 0.836,58 11.801,59 5.184,60 18.269,61 6.909,62 0.2,63 1.284,64 20.828,65 8.574,66 48.526,67 11.927,68 0.277,69 1.667,70 29.734,71 10.59,72 59.35,73 15.057,74 0.401,75 1.789,76 36.33,77 13.382,78 95.148,79 19.366,80 0.275,81 1.774,82 30.047,83 11.312,84 62.978,85 15.831,86 0.196,87 2.021,88 36.254,89 14.164,90 64.808,91 20.349,92 0.38,93 2.015,94 37.464,95 12.58,96 115.194,97 18.527,98 0.245,99 1.697,100 35.125,101 12.513,102 63.351,103 18.181,104 84,105 44,106 0.244,107 0.623,108 0.767,109 0.826,110 0.832,111 0.832,112 3.502,113 0.932,114 -3.02,115 -3.02,116 -2.91,118 42.4,119 3,120 3,129 1,133 1,134 2,137 1,140 6,141 2,142 1,143 2,154 3,163 1,167 1,168 12,169 1,172 5,175 1,176 1,177 8,180 17,181 1,186 3,191 3,194 14,195 1,197 1,198 3,201 4,203 8,206 18,207 1,210 4,215 5,218 14,219 1,222 13,227 5,229 16,230 2,234 8,237 1,239 6,242 12,243 3,247 7,248 1,252 6,255 9,256 2,258 1,259 7,262 2,264 4,265 1,267 8,268 1,270 1922,271 21.016,272 21.016,273 21.016,274 21.016,275 21.016,276 18.683,277 22.222,278 12.699,279 21.225,280 16.212,281 16.212,282 16.212,283 16.212,284 16.212,285 12.596,286 33.506,287 5.902,288 16.567,289 4.374,290 2.024,291 1.132,292 0.768,293 0.734,294 0.734,295 4.167,299 1,300 1,301 715,302 5.244,306 250.005,313 1.857,314 32.042,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 68.5,326 359,327 4.411,328 4.255,329 6.518,330 4.131,331 3.167,332 3.992,333 2.689,334 10.371,335 3.053,336 4.356,337 3.869,338 6.502,339 4.023,340 3.027,341 3.765,342 2.341,343 10.219,344 3.015,345 4.028,346 3.596,347 6.024,348 3.705,349 2.734,350 3.449,351 1.539,352 8.697,353 2.653,354 3.896,355 3.305,356 5.463,357 3.427,358 2.441,359 3.049,360 0.647,361 7.193,362 2.406,363 3.552,364 3.052,365 5.039,366 3.237,367 2.232,368 2.834,369 0.247,370 5.843,371 2.219,372 3.489,373 2.807,374 4.659,375 3.021,376 2.044,377 2.708,379 5.183,380 1.995,381 3.303,382 2.47,383 4.263,384 2.607,385 1.624,386 2.202,388 3.882,389 1.594,390 3.205,391 2.109,392 4.086,393 2.396,394 1.416,395 1.824,397 3.493,398 1.383,399 2.968,400 1.881,401 3.564,402 2.304,403 1.346,404 1.715,406 2.946,407 1.287,408 2.726,409 1.58,410 3.493,411 2.151,412 1.163,413 1.647,415 2.598,416 1.147,417 2.637,418 1.428,419 3.26,420 1.957,421 1,422 1.5,424 2.136,425 0.954,426 2.5,427 1.194,428 3.247,429 1.801,430 0.804,431 1.303,433 1.923,434 0.799,435 2.205,436 1.1,437 3.077,438 1.547,439 0.618,440 1.062,442 0.791,443 0.572,444 1.791,445 1,446 2.64,447 1.123,448 0.122,449 0.136,451 0.279,452 0.121,453 1.295,454 0.585,455 2.618,456 0.881,457 -0.057,458 -0.065,460 -0.153,461 -0.053,462 15.167,463 0.474,464 0.856,465 0.027,466 41.5,467 1.297,468 22.5,469 0.703,470 19,471 0.594,472 29.272,473 0.915,474 34.033,475 0.577,476 34.608,477 1.082,478 7.995,479 0.25,480 7.234,481 0.226,482 0.196,483 0.033,484 0.231,487 0.83,488 1.206,489 0.854,490 1.05,491 0.619,492 0.97,493 0.491,494 1.135,495 0.797,496 1.048,497 0.353,498 0.977,499 1.08,500 1.144,501 1.138,502 1.085,503 0.753,504 1.109,505 0.551,506 0.779,507 0.693,508 0.787,509 0.498,510 0.771,511 0.998,512 1.012,513 1.101,514 1.005,515 0.87,516 1.048,517 0.605,518 1.205,519 0.965,520 1.153,521 0.656,522 1.116,523 0.944,524 1.036,525 1.206,526 1.093,527 1.383,528 1.15,529 0.787,530 0.998,531 0.836,532 0.991,533 0.668,534 0.928,535 7.5,536 0.256,537 2.889,538 2.188,539 1.493,540 1.09,541 0.628,542 0.67,543 0.521,544 0.373,545 12093,546 37160,547 1.919,548 45.8,549 4,550 7,552 2,553 3,554 2,555 9,558 1.752,559 1.77,560 3.422,561 0.822,563 1,567 88.988,568 1.508,569 3.859,570 4.751,571 5.115,572 5.149,573 5.149,574 2.874,575 4.265,576 4.969,577 3.677,578 1823.81,579 8.733,580 27256.7,582 1,585 347.076,586 1.6,587 4.904,588 0.227,589 0.007,590 0.066,591 0.05,592 0.031,593 0.021,594 0.012,595 0.015,596 0.012,597 0.01,598 0.451,599 0.33,600 1,601 1.987,602 168.059,603 -0.08,604 -0.041,606 0.02,607 -0.018,608 0.021,609 0.21,610 -0.061,611 0.102,612 -0.002,613 0.184,614 0.029,615 -0.178,616 -0.088,617 -0.192,618 -0.098,619 -0.076,620 -0.139,621 0.175,622 0.157,623 0.288,624 0.215,625 0.158,626 0.251,627 -0.19,628 0.074,629 -0.181,630 0.004,631 -0.133,632 -0.069,633 -0.004,634 -0.197,635 -0.042,636 -0.128,637 0.002,638 -0.099,639 -0.149,640 0.02,641 -0.247,642 -0.138,643 -0.257,644 -0.187,645 0.045,646 -0.062,647 0.15,648 0.002,649 0.083,650 0.082,651 2.482,652 3.84,653 0.375,654 34.813,655 0.998,656 1.127,657 1.787,658 3.195,659 0.666,660 3.526,661 3.807,662 3.932,663 4.159,664 4.331,665 4.369,666 4.419,667 4.554,668 4.575,669 4.595,670 7.141,671 0.633,672 429.57,673 3.526,674 5.043,675 5.838,676 6.698,677 7.518,678 8.386,679 9.218,680 10.089,681 10.929,682 11.801,683 8.5,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 59,726 17,727 1,728 33,730 60,731 25,733 11,734 2,735 4,736 2,739 2,740 2,745 3,751 3,752 2,753 16,754 7,755 1,756 3,761 1,763 1,765 4,769 1,772 27,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,811 2,818 1,822 1,823 2,826 1,830 1,832 2,836 3,840 32,845 1,846 3,847 2,852 1,853 2,858 2,860 2,862 3.4,864 1,865 1,869 18.083,870 11.467,871 7.292,872 3.457,874 2.642,875 1.379,876 0.907,877 9.022,878 9.619,879 3.85,880 4.331,881 4.804,882 5.332,883 5.744,884 5.988,885 6.305,886 6.684,887 6.968,888 7.244,889 1,890 44,891 11.742,893 4.762,894 7.982,895 21.961,897 17.032,899 2.482,900 79.417,903 1,904 282.506,905 170.448,906 114.926,908 67.828,911 170.448,912 350.335,913 114.926,914 26.476,915 7.604,916 84.344,917 160.28,918 98.041,920 258.964,922 282.506,923 285.374,924 67.828,927 176.567,928 173.768,931 132.304,932 108.798,933 44.273,935 282.506,936 182.754,937 170.448,940 282.506,941 26.34,942 110.904,943 69.225,944 146.733,945 282.506,946 182.754,947 170.448,949 0.565,950 0.298,951 0.162,952 0.089,953 16,954 9,955 0.167,956 10,958 1,959 4.107,960 270.787,962 12,963 151.245,968 24.67,969 11.702,970 8.224,972 182.754,973 14.875,974 4.204,978 2.528,980 78.705,981 635.709,982 46,987 10.84,989 2.013,991 0.418,994 58.883,995 66.478,996 0.256,997 0.656,998 0.808,999 0.87,1000 0.875,1001 0.875,1002 5.088,1003 1.416,1004 5.838,1005 3.882,1006 4.489,1007 5.017,1008 3.392,1009 6.619,1010 4.445,1011 6.309,1012 1.346,1013 7.382,1014 3.493,1015 4.205,1016 4.732,1017 2.243,1018 7.695,1019 4.147,1020 7.614,1021 1.163,1022 9.036,1023 2.946,1024 6.098,1025 7.119,1026 5.036,1027 10.638,1028 6.012,1029 8.948,1030 1,1031 10.755,1032 2.598,1033 6.594,1034 7.594,1035 4.112,1036 12.483,1037 6.489,1038 10.309,1039 0.804,1040 12.515,1041 2.136,1042 8.01,1043 9.484,1044 6.872,1045 15.013,1046 7.879,1047 11.689,1048 0.618,1049 14.302,1050 1.923,1051 8.848,1052 10.336,1053 5.889,1054 17.143,1055 8.693,1056 13.085,1057 0.122,1058 16.108,1059 0.791,1060 10.081,1061 11.987,1062 8.776,1063 19.539,1064 9.903,1065 3.167,1066 -0.057,1067 17.927,1068 0.279,1069 11.075,1070 13.05,1071 7.625,1072 21.781,1073 10.871,1074 3.027,1075 10.371,1076 19.755,1077 -0.153,1078 12.237,1079 14.572,1080 10.709,1081 24.13,1082 12.009,1083 2.734,1084 10.219,1085 21.591,1086 3.992,1087 13.303,1088 15.758,1089 9.342,1090 26.42,1091 13.048,1092 2.441,1093 8.697,1094 23.433,1095 3.765,1096 14.44,1097 17.21,1098 12.657,1099 28.754,1100 14.16,1101 2.232,1102 7.193,1103 25.28,1104 3.449,1105 15.54,1106 18.469,1107 11.051,1108 31.064,1109 15.233,1110 2.044,1111 5.843,1112 27.13,1113 3.049,1114 16.67,1115 19.881,1116 14.613,1117 33.393,1118 16.337,1119 1.624,1120 5.183,1121 28.983,1122 2.834,1123 17.786,1124 21.184,1125 12.755,1126 35.713,1127 17.426,1128 12487,1129 22006,1130 20.86,1131 39.313,1132 51.101,1133 54.173,1134 49.059,1135 47.54,1136 47.479,1137 62.374,1138 14.928,1139 131.108,1140 46.395,1141 5.295,1142 6.255,1143 6.32,1144 5.167,1145 5.167,1146 6.992,1147 5.379,1148 17.179,1149 5.053,1150 20.395,1151 1.549,1152 1.642,1153 1.487,1154 1.441,1155 1.439,1156 1.89,1157 0.452,1158 3.973,1159 1.406,1160 4.016,1161 4.048,1162 3.965,1163 3.953,1164 7.474,1165 3.952,1166 3.841,1167 3.89,1168 3.787,1169 3.728,1170 6.856,1171 3.735,1172 3.762,1173 3.811,1174 3.688,1175 3.647,1176 6.782,1177 3.652,1178 3.695,1179 3.74,1180 3.579,1181 3.549,1182 6.351,1183 3.544,1184 3.58,1185 3.628,1186 3.487,1187 3.459,1188 4.925,1189 3.46,1190 3.383,1191 3.41,1192 3.298,1193 3.22,1194 4.758,1195 3.231,1196 3.071,1197 3.135,1198 2.975,1199 2.856,1200 4.481,1201 2.876,1202 2.998,1203 3.054,1204 2.915,1205 2.81,1206 4.253,1207 2.817,1208 0.134,1209 0.129,1210 0.198,1211 0.125,1212 0.096,1213 4.411,1214 0.121,1215 4.255,1216 0.081,1217 6.518,1218 0.314,1219 4.131,1220 0.093,1221 3.167,1222 3.992,1223 2.689,1224 10.371,1225 3.053,1226 1.979,1227 1.955,1228 2.076,1229 2.062,1230 1.283,1231 2.068,1232 1.81,1233 1.77,1234 1.981,1235 1.963,1236 1.167,1237 1.968,1238 1.744,1239 1.693,1240 1.92,1241 1.886,1242 1.122,1243 1.9,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.944,1249 1.868,1250 1.549,1251 1.509,1252 1.622,1253 1.691,1254 0.679,1255 1.68,1256 1.327,1257 1.294,1258 1.523,1259 1.534,1260 0.585,1261 1.523,1262 0.995,1263 0.951,1264 1.417,1265 1.249,1266 0.469,1267 1.308,1268 0.952,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.205,1276 5.493,1278 6.957,1280 8.503,1282 10.095,1284 5.827,1289 8.904,1290 1.251,1291 6.352,1296 -0.357,1298 18.708,1299 3.855,1300 37.331,1301 88.988,1302 227.679,1303 280.282,1304 301.792,1305 303.792,1306 303.792,1307 95.514,1308 6.977,1309 121.83,1310 121.83,1311 12,1312 12.35,1313 4.17,1314 3.807,1315 76.307,1316 135,1317 144,1318 0.272,1319 239.7,1320 432.8,1321 576.628,1322 8689,1324 23.562,1325 0.736,1326 0.579,1327 23.562,1328 18.515,1329 15.23,1330 0.462,1331 0.311,1332 10.162,1333 14.79,1334 9.763,1335 8.267,1336 15.23,1337 10.257,1338 13.87,1339 0.315,1340 0.186,1341 13.87,1342 8.2,1343 9.479,1344 0.19,1345 0.087,1346 9.479,1347 4.332,1348 7.899,1349 0.125,1350 0.048,1351 7.899,1352 3.001,1353 5.974,1354 0.08,1355 0.026,1356 5.974,1357 1.975,1358 0.425,1359 94.529,1360 0.219,1361 29.806,1362 0.755,1363 154,1364 459.486,1365 165.7,1366 461.558,1367 607.86,1368 424,1369 171,1370 428.103,1371 180.652,1372 443.523,1373 623.82,1374 412,1375 7.301} {0 CHEMBL21639,1 1.513,2 11.742,3 4.556,4 20.753,5 121.411,6 7.199,7 0.364,8 4.129,9 4.257,10 3.65,11 3.672,12 5.273,13 3.642,14 4.647,15 4.826,16 3.942,17 4.053,18 5.763,19 3.976,20 4.958,21 5.207,22 3.92,23 4.164,24 5.873,25 4.049,26 4.928,27 5.183,28 3.967,29 4.144,30 5.898,31 4.043,32 4.904,33 5.12,34 4.052,35 4.207,36 5.966,37 4.128,38 5.008,39 5.24,40 4.063,41 4.287,42 6.026,43 4.183,44 5.03,45 5.272,46 4.027,47 4.264,48 6.068,49 4.148,50 4.993,51 5.248,52 3.956,53 4.143,54 6.072,55 4.036,56 0.044,57 0.849,58 12.077,59 5.141,60 15.333,61 6.962,62 0.272,63 1.338,64 21.689,65 9.024,66 48.446,67 12.468,68 0.303,69 1.639,70 32.446,71 11.323,72 54.694,73 16.56,74 0.327,75 1.605,76 31.664,77 11.071,78 56.319,79 16.219,80 0.282,81 1.667,82 29.564,83 10.17,84 54.598,85 14.773,86 0.268,87 1.816,88 33.078,89 11.846,90 53.471,91 17.349,92 0.262,93 1.815,94 34.144,95 12.261,96 59.879,97 18.004,98 0.254,99 1.659,100 33.848,101 11.494,102 64.042,103 16.928,104 21,105 42,106 0.246,107 0.61,108 0.771,109 0.874,110 0.88,111 0.88,112 3.472,113 0.962,114 -4.51,115 -4.43,116 -4.17,118 41.4,120 7,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,176 1,177 5,180 17,181 1,186 3,191 5,194 14,195 1,198 7,201 2,203 7,206 13,207 1,210 8,215 7,218 12,219 1,222 9,227 5,229 12,230 2,234 10,237 1,239 6,242 12,243 3,247 7,248 1,252 6,255 9,256 2,258 2,259 6,262 2,264 4,265 1,267 8,268 1,270 1845,271 21.267,272 21.267,273 21.267,274 21.267,275 21.267,276 19.012,277 19.554,278 13.356,279 21.582,280 16.347,281 16.347,282 16.347,283 16.347,284 16.347,285 12.976,286 23.953,287 6.349,288 16.825,289 4.345,290 2.108,291 1.116,292 0.483,293 0.448,294 0.448,295 4.156,299 1,300 1,301 758,302 4.359,305 102.448,306 235.848,313 1.831,314 27.117,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 66.5,326 364,327 4.393,328 3.928,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.026,337 3.596,338 5.687,339 3.665,340 2.723,341 3.504,342 1.473,343 8.011,344 2.572,345 3.817,346 3.113,347 5.429,348 3.471,349 2.491,350 3.16,351 0.981,352 7.172,353 2.44,354 3.552,355 3.008,356 5.14,357 3.237,358 2.232,359 2.797,360 0.247,361 6.231,362 2.219,363 3.49,364 2.586,365 4.832,366 3.169,367 2.209,368 2.707,370 5.414,371 2.113,372 3.469,373 2.365,374 4.659,375 2.922,376 1.958,377 2.443,379 5.182,380 1.881,381 3.202,382 2.078,383 4.114,384 2.567,385 1.579,386 2.167,388 3.729,389 1.556,390 2.967,391 1.849,392 3.564,393 2.378,394 1.398,395 1.793,397 2.947,398 1.365,399 2.726,400 1.479,401 3.498,402 2.189,403 1.227,404 1.68,406 2.636,407 1.185,408 2.636,409 1.282,410 3.435,411 2.182,412 1.194,413 1.602,415 2.574,416 1.173,417 2.5,418 1.209,419 3.261,420 1.957,421 1,422 1.5,424 2.136,425 0.954,426 2.205,427 1.101,428 3.247,429 1.877,430 0.949,431 1.133,433 1.925,434 0.879,435 2.189,436 1,437 3.095,438 1.801,439 0.804,440 1.061,442 1.677,443 0.798,444 1.618,445 0.627,446 3,447 1.618,448 0.618,449 0.618,451 1.372,452 0.618,453 1.383,454 0.618,455 2.755,456 1.123,457 0.122,458 0.136,460 0.278,461 0.121,462 14.667,463 0.473,464 0.52,465 0.017,466 39.25,467 1.266,468 20,469 0.645,470 19.25,471 0.621,472 26.722,473 0.862,474 33.333,475 0.575,476 30.148,477 0.973,478 7.434,479 0.24,480 7.718,481 0.249,482 0.073,484 0.239,487 0.844,488 1.269,489 0.849,490 1.069,491 0.617,492 0.976,493 0.436,494 1.097,495 0.943,496 1.179,497 0.329,498 1.142,499 0.921,500 1.032,501 0.992,502 0.986,503 0.704,504 0.996,505 0.783,506 0.919,507 0.832,508 0.858,509 0.645,510 0.852,511 1.05,512 1.093,513 1.056,514 0.985,515 0.894,516 1.006,517 0.807,518 1.085,519 1.033,520 1.044,521 0.727,522 1.056,523 0.717,524 1.101,525 1.018,526 1.111,527 0.912,528 1.098,529 0.902,530 1.086,531 0.943,532 1.066,533 0.925,534 1.011,535 5,536 0.14,537 2,538 1.785,539 0.808,540 0.639,541 0.524,542 0.515,543 0.332,544 0.235,545 12536,546 34599,547 2.05,548 46.6,549 8,550 8,552 2,553 3,554 2,555 4,558 1.742,559 1.958,560 3.524,561 0.844,567 87.732,568 1.513,569 3.75,570 4.742,571 5.375,572 5.41,573 5.41,574 2.967,575 4.567,576 4.922,577 3.721,578 1730.15,579 8.632,580 25489.9,582 1,585 339.763,586 1.191,587 4.904,588 0.152,589 0.005,590 0.048,591 0.045,592 0.019,593 0.014,594 0.011,595 0.012,596 0.008,597 0.007,598 0.319,599 0.17,600 1,601 1.476,602 162.038,603 -0.078,604 -0.074,605 0.017,606 0.016,607 0.013,608 0.027,609 0.267,610 0.009,611 -0.046,612 -0.123,613 0.227,614 -0.133,615 -0.089,616 -0.046,617 -0.026,618 0.007,619 -0.041,621 0.022,622 0.064,623 0.139,624 0.132,625 0.014,626 0.146,627 -0.169,628 -0.009,629 -0.11,630 0.003,631 -0.125,632 -0.036,633 -0.099,634 -0.037,635 -0.095,636 -0.043,637 -0.074,638 -0.062,639 -0.023,640 -0.079,641 -0.074,642 -0.114,643 -0.087,644 -0.101,645 -0.013,646 -0.113,647 0.037,648 -0.089,649 0.022,650 -0.023,651 2.457,652 3.829,653 0.548,654 35.113,655 0.998,656 1.129,657 3.276,658 10.734,659 0.661,660 3.526,661 3.761,662 3.951,663 4.19,664 4.317,665 4.369,666 4.5,667 4.595,668 4.595,669 4.605,670 7.239,671 0.626,672 417.56,673 3.526,674 5.017,675 5.82,676 6.658,677 7.483,678 8.331,679 9.166,680 10.02,681 10.862,682 11.719,683 8.6,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 58,726 16,727 1,728 33,730 60,731 24,733 11,734 2,735 4,736 2,739 3,740 3,743 1,748 5,751 8,752 1,753 15,754 8,756 3,761 1,763 1,764 1,765 3,769 1,772 27,773 7,774 3,775 7,779 5,784 1,785 2,795 1,801 1,802 2,818 1,822 1,823 1,826 1,830 1,832 3,840 31,845 1,846 7,847 2,850 1,853 1,858 1,860 1,862 3.4,864 1,865 1,869 15.833,870 10.05,871 7.139,872 3.674,874 2.399,875 1.337,876 0.94,877 8.635,878 9.523,879 3.807,880 4.263,881 4.718,882 5.235,883 5.688,884 5.883,885 6.269,886 6.601,887 6.831,888 7.073,889 0.875,890 40,891 11.41,893 4.682,894 7.833,895 21.84,897 17.505,899 2.333,900 72.333,903 1,904 282.506,905 133.466,906 100.652,908 67.828,911 133.466,912 350.335,913 100.652,915 17.742,916 84.344,917 143.25,918 78.253,919 1.899,920 258.964,922 282.506,923 234.118,924 67.828,927 235.422,928 114.913,931 101.692,932 88.153,933 44.273,935 282.506,936 168.48,937 133.466,940 282.506,941 32.864,942 84.429,943 52.194,944 132.459,945 282.506,946 168.48,947 133.466,949 0.551,950 0.302,951 0.17,952 0.089,953 16,954 7,955 0.167,956 10,958 1,959 4.27,960 260.654,962 17,963 149.58,968 22.528,969 11.883,970 7.238,972 168.48,973 15.269,974 4.224,978 2.757,980 78.705,981 584.452,982 44,987 10.829,989 2.056,990 3.913,991 0.658,994 57.883,995 65.478,996 0.258,997 0.64,998 0.809,999 0.918,1000 0.923,1001 0.923,1002 5.011,1003 1.398,1004 5.746,1005 3.729,1006 4.443,1007 4.949,1008 2.745,1009 6.457,1010 4.39,1011 6.171,1012 1.227,1013 7.231,1014 2.947,1015 3.761,1016 4.425,1017 2.331,1018 7.154,1019 3.687,1020 7.432,1021 1.194,1022 8.817,1023 2.636,1024 5.922,1025 6.967,1026 3.86,1027 10.254,1028 5.825,1029 8.725,1030 1,1031 10.469,1032 2.574,1033 6.111,1034 7.277,1035 4.148,1036 11.868,1037 6.002,1038 10.048,1039 0.949,1040 12.167,1041 2.136,1042 7.67,1043 9.267,1044 5.3,1045 14.448,1046 7.539,1047 11.392,1048 0.804,1049 13.897,1050 1.925,1051 8.292,1052 10.01,1053 5.904,1054 16.456,1055 8.158,1056 12.755,1057 0.618,1058 15.651,1059 1.677,1060 9.582,1061 11.728,1062 6.888,1063 18.861,1064 9.43,1065 3.03,1066 0.122,1067 17.425,1068 1.372,1069 10.43,1070 12.723,1071 7.631,1072 21.043,1073 10.28,1074 2.723,1075 10.225,1076 19.215,1077 0.278,1078 11.599,1079 14.291,1080 8.541,1081 23.389,1082 11.437,1083 2.491,1084 8.011,1085 21.017,1086 3.988,1087 12.564,1088 15.438,1089 9.345,1090 25.648,1091 12.406,1092 2.232,1093 7.172,1094 22.83,1095 3.504,1096 13.681,1097 16.921,1098 10.222,1099 27.976,1100 13.517,1101 2.209,1102 6.231,1103 24.651,1104 3.16,1105 14.708,1106 18.16,1107 11.052,1108 30.269,1109 14.548,1110 1.958,1111 5.414,1112 26.481,1113 2.797,1114 15.805,1115 19.594,1116 11.914,1117 32.591,1118 15.644,1119 1.579,1120 5.182,1121 28.316,1122 2.707,1123 16.864,1124 20.889,1125 12.756,1126 34.9,1127 16.707,1128 12354,1129 20659,1130 22.246,1131 38.313,1132 48.347,1133 50.054,1134 48.167,1135 47.181,1136 47.069,1137 60.575,1138 10.085,1139 123.018,1140 45.788,1141 5.355,1142 5.928,1143 6.31,1144 5.082,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 13.425,1151 1.465,1152 1.517,1153 1.46,1154 1.43,1155 1.426,1156 1.836,1157 0.306,1158 3.728,1159 1.388,1160 4.015,1161 4.049,1162 3.961,1163 3.951,1164 7.474,1165 3.949,1166 3.878,1167 3.936,1168 3.776,1169 3.752,1170 6.832,1171 3.745,1172 3.802,1173 3.844,1174 3.718,1175 3.711,1176 6.351,1177 3.709,1178 3.695,1179 3.741,1180 3.58,1181 3.549,1182 4.927,1183 3.544,1184 3.519,1185 3.588,1186 3.472,1187 3.284,1188 4.782,1189 3.325,1190 3.375,1191 3.404,1192 3.291,1193 3.198,1194 4.555,1195 3.216,1196 3.068,1197 3.142,1198 2.995,1199 2.847,1200 4.253,1201 2.869,1202 3.024,1203 3.074,1204 2.901,1205 2.808,1206 4.194,1207 2.828,1208 0.133,1209 0.119,1210 0.197,1211 0.122,1212 0.092,1213 4.393,1214 0.121,1215 3.928,1216 0.071,1217 6.508,1218 0.31,1219 4.026,1220 0.091,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.953,1228 2.075,1229 2.059,1230 1.283,1231 2.065,1232 1.793,1233 1.756,1234 1.926,1235 1.929,1236 1.211,1237 1.926,1238 1.679,1239 1.629,1240 1.888,1241 1.857,1242 1.21,1243 1.868,1244 1.63,1245 1.566,1246 1.86,1247 1.826,1248 1.123,1249 1.833,1250 1.577,1251 1.507,1252 1.843,1253 1.751,1254 0.942,1255 1.793,1256 1.353,1257 1.31,1258 1.533,1259 1.579,1260 0.674,1261 1.559,1262 1.291,1263 1.234,1264 1.419,1265 1.521,1266 0.393,1267 1.505,1268 0.984,1269 0.944,1270 1.218,1271 1.227,1272 0.326,1273 1.214,1274 4.205,1276 5.46,1277 2.398,1278 6.893,1279 4.443,1280 8.413,1281 6.26,1282 9.985,1289 8.9,1290 5.897,1291 6.566,1294 0.336,1298 9.064,1299 1.864,1300 36.331,1301 87.732,1302 217.511,1303 275.034,1304 311.763,1305 313.763,1306 313.763,1307 63.361,1308 7.124,1309 110.4,1310 110.4,1311 17,1312 12.275,1313 4.087,1314 3.585,1315 57.857,1316 131,1317 137,1318 0.208,1319 228.569,1320 408.42,1321 549.468,1322 11171,1324 21.891,1325 0.706,1326 0.562,1327 21.891,1328 17.42,1329 15.152,1330 0.459,1331 0.321,1332 10.482,1333 14.683,1334 10.293,1335 8.585,1336 15.152,1337 10.586,1338 12.81,1339 0.305,1340 0.179,1341 12.81,1342 7.537,1343 9.758,1344 0.191,1345 0.102,1346 9.758,1347 5.21,1348 8.216,1349 0.126,1350 0.057,1351 8.216,1352 3.735,1353 6.048,1354 0.082,1355 0.028,1356 6.048,1357 2.106,1358 0.327,1359 94.192,1360 0.212,1361 29.297,1362 0.569,1363 150,1364 433.486,1365 162.56,1366 429.113,1367 572.87,1368 398,1369 168,1370 409.23,1371 178.152,1372 417.387,1373 592.39,1374 392,1375 8.523} {0 CHEMBL21647,1 1.49,2 10.893,3 3.225,4 10.401,5 109.566,6 6.937,7 0.414,8 4.06,9 4.189,10 3.536,11 3.581,12 5.195,13 3.544,14 4.568,15 4.754,16 3.869,17 3.945,18 5.743,19 3.875,20 4.856,21 5.073,22 3.835,23 4.102,24 5.875,25 3.993,26 4.964,27 5.238,28 3.889,29 4.093,30 5.937,31 3.976,32 4.84,33 5.04,34 3.878,35 4.071,36 6.002,37 3.993,38 4.878,39 5.115,40 3.883,41 4.136,42 5.841,43 4.019,44 4.897,45 5.127,46 3.854,47 4.131,48 5.889,49 4.004,50 4.945,51 5.214,52 3.821,53 4.021,54 5.991,55 3.902,56 0.043,57 0.765,58 11.974,59 5.072,60 11.814,61 6.901,62 0.306,63 1.184,64 21.082,65 8.292,66 51.526,67 11.732,68 0.312,69 1.475,70 29.165,71 10.251,72 56.506,73 14.695,74 0.273,75 1.507,76 33.558,77 11.871,78 59.958,79 17.403,80 0.441,81 1.421,82 29.258,83 9.541,84 82.938,85 13.299,86 0.21,87 1.503,88 29.645,89 11.222,90 43.529,91 16.22,92 0.198,93 1.533,94 30.051,95 11.386,96 39.093,97 16.411,98 0.246,99 1.462,100 32.98,101 11.155,102 56.557,103 16.451,104 54,105 39,106 0.247,107 0.606,108 0.77,109 0.835,110 0.841,111 0.841,112 3.374,113 0.958,114 -3.7,115 -3.66,116 -3.49,118 40,119 3,120 3,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 1,155 1,163 1,167 1,168 12,169 1,172 3,175 3,176 1,177 6,180 17,181 1,186 3,191 3,194 14,195 1,198 8,203 8,206 13,207 1,210 6,215 5,218 12,219 1,222 5,227 5,229 14,230 2,234 6,237 1,239 6,242 10,243 3,247 5,248 1,252 6,255 7,256 2,258 2,259 4,262 2,264 4,265 1,267 6,268 1,270 1442,271 18.068,272 18.068,273 18.068,274 18.068,275 18.068,276 16.073,277 18.872,278 11.026,279 18.242,280 14.386,281 14.386,282 14.386,283 14.386,284 14.386,285 11.411,286 29.194,287 5.311,288 14.647,289 4.291,290 2.134,291 1.142,292 0.751,293 0.714,294 0.714,295 4.037,298 1,299 1,300 1,301 611,302 4.743,306 213.938,313 1.758,314 27.35,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 60.5,326 305,327 4.393,328 3.622,329 6.508,330 4.103,331 3.134,332 3.987,333 2.341,334 10.227,335 3.036,336 4.165,337 3.596,338 6.446,339 4.023,340 3.026,341 3.494,342 1.656,343 10.153,344 3.013,345 3.924,346 3.09,347 5.542,348 3.541,349 2.565,350 3.197,351 0.247,352 7.517,353 2.5,354 3.563,355 3.031,356 5.137,357 3.237,358 2.232,359 2.874,361 6.153,362 2.219,363 3.544,364 2.53,365 4.671,366 3.158,367 2.17,368 2.709,370 5.186,371 2.134,372 3.327,373 2.1,374 4.656,375 2.873,376 1.878,377 2.512,379 5.019,380 1.858,381 2.965,382 1.861,383 4.106,384 2.551,385 1.556,386 2.116,388 3.706,389 1.544,390 2.725,391 1.484,392 3.564,393 2.374,394 1.395,395 1.779,397 2.946,398 1.362,399 2.635,400 1.214,401 3.494,402 2.176,403 1.181,404 1.669,406 2.611,407 1.174,408 2.5,409 1.101,410 3.26,411 1.957,412 1,413 1.5,415 2.136,416 0.954,417 2.204,418 1,419 3.247,420 1.802,421 0.804,422 1.062,424 1.923,425 0.799,426 1.296,427 0.64,428 3.072,429 1.123,430 0.122,431 0.136,433 0.279,434 0.121,435 1.182,436 0.581,437 2.593,438 0.884,439 -0.058,440 -0.065,442 -0.167,443 -0.054,444 0.881,445 0.288,446 2.419,447 0.544,448 -0.485,449 -0.618,451 -1.261,452 -0.488,453 0.74,454 0.188,455 2.29,456 0.32,457 -0.684,458 -0.802,460 -1.545,461 -0.665,462 13.2,463 0.471,464 0.843,465 0.03,466 33.75,467 1.205,468 17,469 0.607,470 16.75,471 0.598,472 25.148,473 0.898,474 31.2,475 0.567,476 26.772,477 0.956,478 6.623,479 0.237,480 6.62,481 0.236,482 0.189,483 0.038,484 0.227,487 0.788,488 1.289,489 0.893,490 1.119,491 0.695,492 1.032,493 0.399,494 1.134,495 0.816,496 1.065,497 0.383,498 1.014,499 1.077,500 1.076,501 1.202,502 1.087,503 0.985,504 1.142,505 0.692,506 0.924,507 0.696,508 0.849,509 0.681,510 0.786,511 1.632,512 0.981,513 1.286,514 0.942,515 1.647,516 1.039,517 0.646,518 1.078,519 0.922,520 1.045,521 0.588,522 1.026,523 0.637,524 1.205,525 1.051,526 1.24,527 0.593,528 1.209,529 0.806,530 1.055,531 0.839,532 1.03,533 0.724,534 0.947,535 7,536 0.215,537 2.222,538 2.063,539 0.853,540 0.701,541 0.585,542 0.552,543 0.406,544 0.313,545 8793,546 24916,547 1.928,548 49.1,549 4,550 7,552 2,553 3,554 2,555 9,558 1.715,559 1.778,560 3.396,561 0.882,562 1,563 1,567 81.976,568 1.49,569 3.647,570 4.64,571 5.031,572 5.067,573 5.067,574 2.88,575 4.253,576 4.773,577 3.625,578 1370.2,579 8.331,580 18719.7,582 1,584 1,585 317.975,586 1.607,587 4.711,588 0.241,589 0.009,590 0.057,591 0.057,592 0.022,593 0.018,594 0.015,595 0.015,596 0.012,597 0.011,598 0.459,599 0.33,600 1,601 1.907,602 141.523,603 -0.071,604 -0.053,605 0.005,606 0.014,607 -0.081,608 0.02,609 0.308,610 -0.001,611 0.105,612 0.004,613 0.245,614 0.015,615 -0.19,616 0.005,617 -0.246,618 -0.081,619 -0.172,620 -0.155,621 0.06,622 0.008,623 0.267,624 0.14,625 0.074,626 0.221,627 -0.333,628 0.096,629 -0.28,630 0.042,631 -0.279,632 -0.087,633 -0.019,634 -0.045,635 0.005,636 -0.012,637 -0.011,638 -0.001,640 -0.155,641 -0.126,642 -0.211,643 -0.025,644 -0.191,645 0.04,646 -0.106,647 0.136,648 -0.062,649 0.095,650 0.04,651 2.465,652 5.152,653 0.429,654 30.321,655 0.998,656 1.129,657 2.465,658 6.078,659 0.646,660 3.401,661 3.689,662 3.761,663 4.007,664 4.127,665 4.174,666 4.29,667 4.394,668 4.344,669 4.344,670 6.788,671 0.61,672 381.52,673 3.401,674 4.92,675 5.7,676 6.561,677 7.363,678 8.231,679 9.046,680 9.917,681 10.74,682 11.613,683 5.5,690 2,693 1,699 8,700 1,704 3,706 12,724 55,726 15,727 1,728 29,730 56,731 22,733 11,734 2,735 4,736 2,739 2,740 2,744 1,745 3,751 3,753 15,754 7,755 1,756 3,761 2,763 1,765 3,769 1,772 27,773 6,774 3,775 6,779 3,784 1,785 3,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 3,840 28,845 1,846 3,847 2,852 1,862 5.5,864 1,865 2,869 15.75,870 10.483,871 6.181,872 3.211,874 2.199,875 1.327,876 0.907,877 7.769,878 8.926,879 3.664,880 4.174,881 4.564,882 5.11,883 5.577,884 5.733,885 6.126,886 6.437,887 6.598,888 6.805,889 1,890 36,891 10.332,893 4.206,894 7.92,895 19.483,897 15.228,899 2.42,900 67.75,903 1,904 282.506,905 136.007,906 52.807,908 92.973,911 136.007,912 375.48,913 52.807,914 26.476,915 43.625,916 66.334,917 134.211,918 30.408,919 4.276,920 258.964,922 282.506,923 188.814,924 92.973,927 176.567,928 198.913,931 88.196,932 74.357,933 26.262,935 282.506,936 145.78,937 136.007,940 282.506,941 25.103,942 110.904,943 36.022,944 109.759,945 282.506,946 145.78,947 136.007,949 0.572,950 0.28,951 0.154,952 0.079,953 15,954 8,955 0.143,956 8,958 1,959 3.875,960 221.103,962 12,963 127.851,968 21.648,969 10.048,970 7.87,972 145.78,973 14.874,974 4.184,978 2.547,980 78.705,981 564.294,982 38,987 22.905,989 2.022,991 -0.108,994 54.891,995 62.106,996 0.258,997 0.631,998 0.803,999 0.87,1000 0.876,1001 0.876,1002 4.883,1003 1.395,1004 5.707,1005 3.706,1006 4.369,1007 4.86,1008 2.665,1009 6.472,1010 4.335,1011 6.086,1012 1.181,1013 7.239,1014 2.946,1015 4.111,1016 4.62,1017 2.462,1018 7.535,1019 4.064,1020 7.38,1021 1,1022 8.881,1023 2.611,1024 5.969,1025 6.921,1026 3.868,1027 10.459,1028 5.896,1029 8.703,1030 0.804,1031 10.589,1032 2.136,1033 6.463,1034 7.382,1035 4.253,1036 12.305,1037 6.373,1038 10.053,1039 0.122,1040 12.339,1041 1.923,1042 7.872,1043 9.248,1044 5.329,1045 14.827,1046 7.759,1047 11.422,1048 -0.058,1049 14.118,1050 0.279,1051 8.705,1052 10.067,1053 5.967,1054 16.963,1055 8.573,1056 12.807,1057 -0.485,1058 15.918,1059 -0.167,1060 9.939,1061 11.722,1062 6.913,1063 19.356,1064 9.785,1065 3.134,1066 -0.684,1067 17.733,1068 -1.261,1069 10.93,1070 12.754,1071 7.666,1072 21.603,1073 10.755,1074 3.026,1075 10.227,1076 19.56,1077 -1.545,1078 12.093,1079 14.29,1080 8.558,1081 23.95,1082 11.898,1083 2.565,1084 10.153,1085 21.395,1086 3.987,1087 13.157,1088 15.454,1089 9.364,1090 26.241,1091 12.94,1092 2.232,1093 7.517,1094 23.237,1095 3.494,1096 14.295,1097 16.921,1098 10.232,1099 28.571,1100 14.056,1101 2.17,1102 6.153,1103 25.083,1104 3.197,1105 15.392,1106 18.167,1107 11.062,1108 30.88,1109 15.131,1110 1.878,1111 5.186,1112 26.934,1113 2.874,1114 16.521,1115 19.593,1116 11.92,1117 33.204,1118 16.239,1119 1.556,1120 5.019,1121 28.789,1122 2.709,1123 17.634,1124 20.891,1125 12.761,1126 35.52,1127 17.33,1128 9061,1129 15366,1130 18.375,1131 35.517,1132 43.063,1133 43.968,1134 42.853,1135 42.168,1136 42.129,1137 54.071,1138 8.488,1139 115.712,1140 41.43,1141 5.276,1142 5.622,1143 6.31,1144 5.139,1145 5.134,1146 6.987,1147 3.925,1148 17.033,1149 5.036,1150 17.423,1151 1.485,1152 1.516,1153 1.478,1154 1.454,1155 1.453,1156 1.865,1157 0.293,1158 3.99,1159 1.429,1160 4.011,1161 4.041,1162 3.958,1163 3.949,1164 7.474,1165 3.947,1166 3.819,1167 3.866,1168 3.754,1169 3.714,1170 7.431,1171 3.717,1172 3.745,1173 3.803,1174 3.631,1175 3.593,1176 6.351,1177 3.59,1178 3.695,1179 3.74,1180 3.579,1181 3.549,1182 4.923,1183 3.544,1184 3.405,1185 3.439,1186 3.32,1187 3.231,1188 4.737,1189 3.244,1190 3.301,1191 3.344,1192 3.204,1193 3.026,1194 4.391,1195 3.07,1196 3.03,1197 3.068,1198 2.907,1199 2.835,1200 4.245,1201 2.847,1202 2.874,1203 3.009,1204 2.684,1205 2.657,1206 3.914,1207 2.654,1208 0.151,1209 0.125,1210 0.224,1211 0.141,1212 0.108,1213 4.393,1214 0.137,1215 3.622,1216 0.081,1217 6.508,1218 0.353,1219 4.103,1220 0.105,1221 3.134,1222 3.987,1223 2.341,1224 10.227,1225 3.036,1226 1.977,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.795,1233 1.758,1234 1.974,1235 1.952,1236 1.158,1237 1.956,1238 1.727,1239 1.664,1240 1.919,1241 1.886,1242 1.122,1243 1.9,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.942,1249 1.868,1250 1.339,1251 1.305,1252 1.532,1253 1.561,1254 0.674,1255 1.542,1256 1.177,1257 1.129,1258 1.417,1259 1.484,1260 0.469,1261 1.454,1262 0.976,1263 0.936,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.804,1270 1.349,1271 1.239,1272 0.363,1273 1.308,1274 4.078,1276 5.371,1278 6.828,1280 8.363,1282 9.944,1284 5.76,1289 8.837,1290 1.328,1291 5.727,1296 -0.327,1300 33.53,1301 81.976,1302 200.577,1303 255.181,1304 276.691,1305 278.691,1306 278.691,1307 72.459,1308 6.726,1309 91.32,1310 91.32,1311 12,1312 12.165,1313 4,1314 3.322,1315 61.572,1316 109,1317 116,1318 0.267,1319 213.04,1320 378.25,1321 511.578,1322 6393,1324 20.571,1325 0.735,1326 0.59,1327 20.571,1328 16.528,1329 13.243,1330 0.457,1331 0.319,1332 9.17,1333 12.817,1334 8.807,1335 7.452,1336 13.243,1337 9.264,1338 12.639,1339 0.324,1340 0.194,1341 12.639,1342 7.555,1343 7.95,1344 0.189,1345 0.091,1346 7.95,1347 3.836,1348 6.985,1349 0.129,1350 0.05,1351 6.985,1352 2.692,1353 4.933,1354 0.081,1355 0.027,1356 4.933,1357 1.652,1358 0.418,1359 82.479,1360 0.233,1361 26.874,1362 0.735,1363 136,1364 401.932,1365 148.637,1366 392.663,1367 517.56,1368 362,1369 149,1370 364.923,1371 158.315,1372 373.99,1373 529.38,1374 348,1375 8.398} {0 CHEMBL21849,1 1.551,2 11.793,3 3.643,4 13.273,5 112.209,6 7.49,7 0.387,8 4.032,9 4.155,10 3.588,11 3.578,12 5.218,13 3.558,14 4.499,15 4.675,16 3.825,17 3.897,18 5.682,19 3.83,20 4.752,21 4.987,22 3.839,23 4.009,24 5.75,25 3.922,26 4.75,27 4.972,28 3.895,29 4.041,30 5.801,31 3.955,32 4.807,33 5.022,34 3.918,35 4.116,36 5.882,37 4.027,38 4.873,39 5.108,40 3.886,41 4.144,42 5.891,43 4.027,44 4.84,45 5.091,46 3.76,47 4.041,48 5.853,49 3.911,50 4.718,51 4.979,52 3.688,53 3.824,54 5.806,55 3.724,56 0.046,57 0.771,58 10.233,59 4.46,60 15.624,61 5.858,62 0.262,63 1.16,64 17.904,65 7.469,66 47.377,67 10.153,68 0.298,69 1.368,70 25.867,71 9.028,72 52.162,73 12.805,74 0.261,75 1.399,76 25.067,77 9.408,78 49.726,79 13.197,80 0.284,81 1.492,82 26.225,83 9.551,84 55.356,85 13.375,86 0.222,87 1.553,88 28.54,89 10.931,90 51.666,91 15.609,92 0.214,93 1.456,94 28.306,95 10.442,96 56.793,97 15.122,98 0.229,99 1.229,100 26.003,101 8.893,102 47.544,103 12.836,104 21,105 40,106 0.258,107 0.644,108 0.788,109 0.861,110 0.87,111 0.87,112 3.407,113 0.928,114 -4.08,115 -4.03,116 -3.81,118 42.3,120 5,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,176 1,177 5,180 14,181 1,186 3,191 3,194 15,195 1,198 7,201 2,203 6,206 14,207 1,210 6,215 4,218 12,219 1,222 9,227 4,229 12,230 2,234 6,239 5,242 7,243 3,247 6,248 1,250 1,252 7,255 2,256 3,258 1,259 6,262 1,264 6,267 2,270 1566,271 19.853,272 19.853,273 19.853,274 19.853,275 19.853,276 17.598,277 19.554,278 12.329,279 20.168,280 15.33,281 15.33,282 15.33,283 15.33,284 15.33,285 11.97,286 23.953,287 5.846,288 15.809,289 4.149,290 1.824,291 0.957,292 0.515,293 0.462,294 0.462,295 4.083,299 1,300 1,301 716,302 4.359,303 68.969,306 228.964,313 1.952,314 25.688,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 62.5,326 342,327 4.381,328 3.928,329 6.5,330 4.014,331 3.017,332 3.97,333 2.341,334 10.18,335 3.01,336 4.039,337 3.596,338 5.714,339 3.729,340 2.781,341 3.504,342 1.473,343 8.09,344 2.645,345 3.824,346 3.113,347 5.438,348 3.51,349 2.535,350 3.177,351 0.981,352 7.225,353 2.47,354 3.577,355 3.02,356 5.21,357 3.237,358 2.235,359 2.86,360 0.247,361 6.364,362 2.219,363 3.552,364 2.655,365 4.897,366 3.195,367 2.23,368 2.709,370 5.634,371 2.145,372 3.51,373 2.387,374 4.659,375 2.953,376 1.996,377 2.546,379 5.184,380 1.901,381 3.212,382 2.115,383 4.139,384 2.59,385 1.602,386 2.204,388 3.783,389 1.579,390 3.004,391 1.881,392 3.564,393 2.375,394 1.397,395 1.75,397 2.946,398 1.362,399 2.72,400 1.476,401 3.414,402 2,403 1.066,404 1.605,406 2.275,407 1,408 2.5,409 1.129,410 3.298,411 1.976,412 1,413 1.5,415 2.136,416 0.969,417 2.5,418 1,419 3.247,420 1.956,421 1,422 1.5,424 2.065,425 0.954,426 2.232,427 1,428 3.191,429 1.847,430 0.858,431 1.11,433 1.82,434 0.845,435 1.515,436 0.79,437 3.018,438 1.265,439 0.307,440 0.327,442 0.76,443 0.292,444 1.423,445 0.676,446 2.589,447 1.118,448 0.144,449 0.162,451 0.322,452 0.14,453 1.213,454 0.454,455 2.348,456 0.783,457 -0.165,458 -0.224,460 -0.343,461 -0.155,462 13.667,463 0.471,464 0.52,465 0.018,466 38.25,467 1.319,468 20,469 0.69,470 18.25,471 0.629,472 22.28,473 0.768,474 30.733,475 0.591,476 28.512,477 0.983,478 7.434,479 0.256,480 6.718,481 0.232,482 0.078,484 0.256,487 0.85,488 1.249,489 0.813,490 1.031,491 0.625,492 0.933,493 0.453,494 1.098,495 0.943,496 1.186,497 0.348,498 1.15,499 0.999,500 0.929,501 0.958,502 0.872,503 0.784,504 0.9,505 0.784,506 1.032,507 0.924,508 1.008,509 0.703,510 0.995,511 0.973,512 0.99,513 1.093,514 0.998,515 0.875,516 1.046,517 0.654,518 1.074,519 1.001,520 1.106,521 0.702,522 1.105,523 0.654,524 1.073,525 1.009,526 1.142,527 0.85,528 1.126,529 0.861,530 1.025,531 0.862,532 1.054,533 0.795,534 0.971,535 5,536 0.153,537 2.278,538 1.465,539 0.943,540 0.535,541 0.527,542 0.444,543 0.33,544 0.181,545 11080,546 32719,547 2.053,548 44.2,549 4,550 8,552 2,553 3,554 2,555 4,558 1.722,559 1.955,560 3.517,561 0.891,563 1,567 80.664,568 1.551,569 3.876,570 4.743,571 5.186,572 5.239,573 5.239,574 2.974,575 4.375,576 4.823,577 3.753,578 1523.56,579 8.419,580 21728.4,582 1,584 1,585 296.423,586 1.233,587 4.804,588 0.161,589 0.006,590 0.062,591 0.039,592 0.024,593 0.013,594 0.014,595 0.013,596 0.011,597 0.006,598 0.349,599 0.33,600 1,601 1.541,602 149.559,603 -0.093,604 -0.078,605 0.014,606 0.021,607 -0.003,608 0.031,609 0.278,610 -0.008,611 -0.063,612 -0.16,613 0.228,614 -0.169,615 -0.128,616 0.064,617 0.006,618 0.12,619 -0.077,620 0.091,621 -0.003,622 -0.027,623 0.015,624 0.002,625 -0.026,626 0.004,627 -0.173,628 0.05,629 -0.165,630 0.001,631 -0.126,632 -0.064,633 -0.036,634 -0.091,635 -0.071,636 -0.083,637 -0.054,638 -0.083,639 -0.008,640 -0.116,641 -0.056,642 -0.134,643 -0.064,644 -0.104,645 0.065,646 -0.106,647 0.146,648 -0.072,649 0.089,650 0.035,651 2.452,652 3.754,653 0.517,654 34.345,655 1.002,656 1.128,657 2.85,658 8.124,659 0.669,660 3.466,661 3.714,662 3.85,663 4.06,664 4.248,665 4.263,666 4.394,667 4.466,668 4.489,669 4.511,670 7.32,671 0.64,672 389.5,673 3.466,674 4.963,675 5.771,676 6.613,677 7.444,678 8.294,679 9.135,680 9.99,681 10.837,682 11.694,683 9.6,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 52,726 16,727 1,728 31,730 54,731 22,733 11,734 2,735 4,736 2,739 3,740 3,743 1,748 3,751 6,752 1,753 15,754 6,756 3,761 1,763 1,764 1,765 3,769 1,772 23,773 7,774 3,775 7,779 5,784 1,785 2,795 1,799 1,802 2,818 1,822 1,823 1,826 1,830 1,832 3,840 29,845 1,846 5,847 2,850 1,853 1,858 1,860 1,862 3.8,864 1,865 1,869 14.833,870 9.05,871 6.639,872 3.174,874 2.408,875 1.348,876 0.944,877 7.382,878 9.321,879 3.761,880 4.234,881 4.673,882 5.185,883 5.666,884 5.852,885 6.248,886 6.563,887 6.82,888 7.075,889 0.875,890 38,891 10.643,893 4.385,894 7.891,895 20.207,897 16.172,899 2.391,900 69.333,902 1,903 1,904 235.422,905 128.397,906 100.652,908 67.828,911 128.397,912 303.25,913 100.652,915 12.673,916 84.344,917 143.25,918 78.253,919 1.899,920 211.88,922 235.422,923 229.049,924 67.828,927 188.338,928 114.913,931 96.623,932 88.153,933 44.273,935 235.422,936 168.48,937 128.397,940 235.422,941 27.795,942 84.429,943 52.194,944 132.459,945 235.422,946 168.48,947 128.397,949 0.556,950 0.288,951 0.157,952 0.087,953 16,954 7,955 0.185,956 10,958 1,959 4.203,960 233.849,962 15,963 132.127,968 20.575,969 10.405,970 7.063,972 168.48,973 15.216,974 4.196,978 2.811,980 78.705,981 532.299,982 42,987 10.754,989 2.055,990 3.801,991 0.683,994 52.116,995 58.647,996 0.272,997 0.68,998 0.832,999 0.91,1000 0.919,1001 0.919,1002 4.97,1003 1.397,1004 5.707,1005 3.783,1006 4.394,1007 4.92,1008 2.745,1009 6.428,1010 4.34,1011 6.154,1012 1.066,1013 7.206,1014 2.946,1015 3.892,1016 4.494,1017 2.331,1018 7.235,1019 3.827,1020 7.429,1021 1,1022 8.806,1023 2.275,1024 5.911,1025 6.964,1026 3.86,1027 10.248,1028 5.81,1029 8.731,1030 1,1031 10.47,1032 2.136,1033 6.196,1034 7.304,1035 4.148,1036 11.898,1037 6.092,1038 10.06,1039 0.858,1040 12.174,1041 2.065,1042 7.69,1043 9.269,1044 5.3,1045 14.444,1046 7.556,1047 11.408,1048 0.307,1049 13.909,1050 1.82,1051 8.356,1052 10.013,1053 5.904,1054 16.459,1055 8.222,1056 12.772,1057 0.144,1058 15.666,1059 0.76,1060 9.619,1061 11.723,1062 6.888,1063 18.847,1064 9.462,1065 3.017,1066 -0.165,1067 17.44,1068 0.322,1069 10.484,1070 12.71,1071 7.631,1072 21.027,1073 10.329,1074 2.781,1075 10.18,1076 19.228,1077 -0.343,1078 11.639,1079 14.274,1080 8.541,1081 23.362,1082 11.47,1083 2.535,1084 8.09,1085 21.029,1086 3.97,1087 12.609,1088 15.41,1089 9.345,1090 25.616,1091 12.442,1092 2.235,1093 7.225,1094 22.839,1095 3.504,1096 13.719,1097 16.89,1098 10.222,1099 27.935,1100 13.543,1101 2.23,1102 6.364,1103 24.658,1104 3.177,1105 14.743,1106 18.119,1107 11.052,1108 30.223,1109 14.571,1110 1.996,1111 5.634,1112 26.484,1113 2.86,1114 15.834,1115 19.55,1116 11.914,1117 32.538,1118 15.658,1119 1.602,1120 5.184,1121 28.317,1122 2.709,1123 16.888,1124 20.836,1125 12.756,1126 34.842,1127 16.715,1128 10872,1129 18791,1130 20.86,1131 34.79,1132 46.041,1133 47.679,1134 45.498,1135 44.346,1136 44.334,1137 57.846,1138 10.085,1139 117.567,1140 43.058,1141 5.337,1142 5.928,1143 6.302,1144 5.075,1145 5.017,1146 6.97,1147 3.925,1148 16.925,1149 5.01,1150 12.967,1151 1.485,1152 1.538,1153 1.468,1154 1.431,1155 1.43,1156 1.866,1157 0.325,1158 3.792,1159 1.389,1160 4.015,1161 4.049,1162 3.96,1163 3.95,1164 7.474,1165 3.948,1166 3.892,1167 3.95,1168 3.796,1169 3.761,1170 6.832,1171 3.758,1172 3.8,1173 3.842,1174 3.723,1175 3.709,1176 6.351,1177 3.708,1178 3.695,1179 3.74,1180 3.58,1181 3.549,1182 4.927,1183 3.545,1184 3.494,1185 3.559,1186 3.451,1187 3.277,1188 4.785,1189 3.311,1190 3.368,1191 3.399,1192 3.289,1193 3.174,1194 4.568,1195 3.202,1196 3.068,1197 3.119,1198 2.981,1199 2.852,1200 4.255,1201 2.875,1202 2.923,1203 2.993,1204 2.829,1205 2.735,1206 4.163,1207 2.721,1208 0.141,1209 0.127,1210 0.21,1211 0.129,1212 0.097,1213 4.381,1214 0.128,1215 3.928,1216 0.076,1217 6.5,1218 0.328,1219 4.014,1220 0.097,1221 3.017,1222 3.97,1223 2.341,1224 10.18,1225 3.01,1226 1.977,1227 1.953,1228 2.075,1229 2.058,1230 1.283,1231 2.064,1232 1.793,1233 1.756,1234 1.923,1235 1.922,1236 1.124,1237 1.921,1238 1.678,1239 1.629,1240 1.887,1241 1.856,1242 0.945,1243 1.868,1244 1.466,1245 1.399,1246 1.595,1247 1.728,1248 0.825,1249 1.694,1250 1.316,1251 1.278,1252 1.517,1253 1.531,1254 0.824,1255 1.519,1256 1.153,1257 1.064,1258 1.513,1259 1.376,1260 0.675,1261 1.429,1262 1.098,1263 1.025,1264 1.292,1265 1.351,1266 0.382,1267 1.338,1268 0.986,1269 0.946,1270 1.189,1271 1.233,1272 0.223,1273 1.215,1274 4.143,1275 1.946,1276 5.407,1277 3.714,1278 6.858,1279 5.416,1280 8.395,1281 7.101,1282 9.979,1289 8.839,1290 3.577,1291 6.337,1294 0.389,1298 8.86,1299 1.814,1300 33.278,1301 80.664,1302 201.575,1303 246.648,1304 269.668,1305 272.423,1306 272.423,1307 54.939,1308 6.913,1309 110.4,1310 110.4,1311 15,1312 12.249,1313 4.087,1314 3.585,1315 52.332,1316 124,1317 123,1318 0.199,1319 209.384,1320 373.82,1321 502.658,1322 8232,1324 20.476,1325 0.706,1326 0.552,1327 20.476,1328 16.006,1329 14.152,1330 0.457,1331 0.309,1332 9.482,1333 13.683,1334 9.313,1335 7.751,1336 14.152,1337 9.586,1338 12.091,1339 0.302,1340 0.171,1341 12.091,1342 6.827,1343 8.76,1344 0.19,1345 0.091,1346 8.76,1347 4.166,1348 7.122,1349 0.125,1350 0.049,1351 7.122,1352 2.778,1353 5.661,1354 0.082,1355 0.027,1356 5.661,1357 1.85,1358 0.317,1359 88.192,1360 0.219,1361 27.991,1362 0.536,1363 142,1364 425.486,1365 154.56,1366 420.724,1367 561.33,1368 390,1369 160,1370 401.23,1371 170.152,1372 408.928,1373 580.62,1374 384,1375 5.409} {0 CHEMBL21851,1 1.471,2 11.621,3 4.191,4 17.568,5 116.134,6 6.887,7 0.387,8 4.109,9 4.242,10 3.591,11 3.646,12 5.199,13 3.607,14 4.633,15 4.817,16 3.895,17 4.031,18 5.729,19 3.947,20 4.929,21 5.181,22 3.848,23 4.128,24 5.838,25 4.005,26 4.866,27 5.12,28 3.871,29 4.085,30 5.805,31 3.977,32 4.862,33 5.08,34 3.939,35 4.144,36 5.896,37 4.048,38 5.003,39 5.261,40 3.901,41 4.212,42 5.9,43 4.078,44 4.976,45 5.236,46 3.884,47 4.179,48 5.869,49 4.042,50 4.938,51 5.196,52 3.861,53 4.079,54 5.951,55 3.959,56 0.062,57 0.823,58 12.673,59 5.225,60 12.523,61 7.241,62 0.268,63 1.303,64 22.323,65 9.064,66 45.029,67 12.749,68 0.313,69 1.572,70 31.81,71 10.907,72 49.799,73 16.206,74 0.263,75 1.488,76 29.782,77 10.375,78 44.759,79 15.43,80 0.264,81 1.571,82 29.048,83 9.941,84 48.342,85 14.743,86 0.289,87 1.711,88 34.029,89 11.979,90 47.557,91 17.947,92 0.241,93 1.643,94 33.019,95 12.209,96 37.664,97 18.022,98 0.221,99 1.532,100 32.15,101 11.173,102 48.558,103 16.542,104 15,105 40,106 0.242,107 0.598,108 0.766,109 0.872,110 0.877,111 0.877,112 3.408,113 0.982,114 -4.32,115 -4.25,116 -4.01,118 40.4,120 7,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 1,155 1,159 1,160 1,161 1,163 1,167 1,168 15,169 1,172 5,174 1,175 3,176 1,177 3,179 1,180 17,181 1,186 5,191 3,194 14,195 1,198 5,203 9,206 13,207 1,208 4,210 6,215 9,218 12,219 1,220 4,222 5,227 5,229 12,230 2,232 2,234 6,237 1,239 6,242 12,243 3,245 2,247 5,248 1,252 6,255 9,256 2,257 2,258 2,259 4,261 1,262 2,264 4,265 1,267 8,268 1,269 2,270 1592,271 19.69,272 19.69,273 19.69,274 19.69,275 19.69,276 17.565,277 17.084,278 12.244,279 19.92,280 15.381,281 15.381,282 15.381,283 15.381,284 15.381,285 12.265,286 21.045,287 5.899,288 15.752,289 4.362,290 2.193,291 1.171,292 0.526,293 0.491,294 0.491,295 4.091,299 1,300 1,301 706,302 4.123,305 94.401,306 217.815,313 1.841,314 24.883,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 62,326 337,327 4.392,328 3.596,329 6.508,330 4.026,331 3.029,332 3.987,333 2.341,334 10.224,335 3.019,336 3.996,337 3.113,338 5.607,339 3.635,340 2.687,341 3.499,342 1.233,343 7.733,344 2.554,345 3.793,346 3.01,347 5.418,348 3.471,349 2.491,350 3.109,351 0.268,352 7.151,353 2.44,354 3.552,355 2.589,356 5.102,357 3.237,358 2.232,359 2.797,361 6.064,362 2.219,363 3.475,364 2.299,365 4.66,366 3.119,367 2.155,368 2.707,370 5.185,371 2.075,372 3.227,373 2.063,374 4.627,375 2.848,376 1.889,377 2.294,379 4.942,380 1.804,381 2.966,382 1.842,383 4.106,384 2.552,385 1.564,386 2.102,388 3.71,389 1.541,390 2.726,391 1.478,392 3.564,393 2.376,394 1.397,395 1.78,397 2.946,398 1.363,399 2.636,400 1.245,401 3.497,402 2.188,403 1.196,404 1.67,406 2.636,407 1.185,408 2.5,409 1.184,410 3.382,411 2.094,412 1.114,413 1.5,415 2.462,416 1.09,417 2.205,418 1.1,419 3.256,420 1.957,421 1,422 1.136,424 2.136,425 0.954,426 2.138,427 1,428 3.247,429 1.801,430 0.804,431 1.061,433 1.923,434 0.799,435 1.618,436 0.618,437 3,438 1.618,439 0.618,440 0.618,442 1.372,443 0.618,444 1.297,445 0.585,446 2.78,447 1.123,448 0.122,449 0.136,451 0.278,452 0.121,453 1.23,454 0.289,455 2.588,456 0.863,457 -0.08,458 -0.097,460 -0.221,461 -0.075,462 13.767,463 0.475,464 0.558,465 0.019,466 34.75,467 1.198,468 17,469 0.586,470 17.75,471 0.612,472 25.534,473 0.88,474 31.833,475 0.558,476 26.097,477 0.9,478 6.63,479 0.229,480 7.484,481 0.258,482 0.077,484 0.254,487 0.888,488 1.223,489 0.904,490 1.057,491 0.804,492 0.989,493 0.458,494 1.147,495 0.953,496 1.18,497 0.384,498 1.139,499 0.991,500 1.002,501 1.031,502 0.961,503 0.889,504 0.99,505 0.863,506 0.997,507 0.87,508 0.886,509 0.798,510 0.877,511 1.065,512 1.187,513 1.128,514 1.082,515 0.965,516 1.098,517 0.766,518 1.021,519 1.009,520 1.004,521 0.652,522 1.023,523 0.592,524 1.044,525 0.925,526 1.067,527 0.528,528 1.038,529 0.846,530 1.134,531 0.916,532 1.102,533 0.746,534 1.025,535 5,536 0.132,537 2,538 1.785,539 0.808,540 0.639,541 0.448,542 0.431,543 0.312,544 0.235,545 10802,546 27127,547 2.053,548 49.1,549 8,550 8,552 2,553 4,554 2,555 4,558 1.723,559 1.955,560 3.501,561 1.595,563 1,567 83.827,568 1.471,569 3.64,570 4.662,571 5.307,572 5.342,573 5.342,574 2.957,575 4.444,576 4.824,577 3.702,578 1503.04,579 8.427,580 21126.4,582 1,584 1,585 332.475,586 1.233,587 4.804,588 0.161,589 0.005,590 0.05,591 0.048,592 0.021,593 0.016,594 0.011,595 0.011,596 0.009,597 0.008,598 0.341,600 1,601 1.344,602 148.737,603 -0.093,604 0.007,605 0.012,606 0.059,607 -0.072,608 0.052,609 0.252,610 -0.016,611 -0.029,612 -0.106,613 0.246,614 -0.108,615 -0.12,616 0.013,617 -0.061,618 0.023,619 -0.096,620 -0.005,621 -0.046,622 0.01,623 0.096,624 0.107,625 -0.042,626 0.118,627 -0.166,628 -0.083,629 -0.166,630 -0.084,631 -0.131,632 -0.118,633 -0.073,635 -0.057,636 -0.012,637 -0.057,638 -0.027,639 0.042,640 -0.05,641 0.019,642 -0.058,643 0.016,644 -0.026,645 0.028,646 -0.158,647 0.056,648 -0.116,649 0.102,650 -0.035,651 2.44,652 3.793,653 0.586,654 32.507,655 0.994,656 1.13,657 3.086,658 9.525,659 0.65,660 3.466,661 3.714,662 3.892,663 4.127,664 4.234,665 4.263,666 4.394,667 4.477,668 4.466,669 4.489,670 7.078,671 0.611,672 392.55,673 3.466,674 4.963,675 5.765,676 6.605,677 7.427,678 8.276,679 9.108,680 9.961,681 10.8,682 11.656,683 7,684 1,688 1,692 1,693 1,699 8,700 1,704 3,706 12,717 1,724 57,726 15,727 1,728 31,730 59,731 23,733 11,734 2,735 4,736 2,739 3,740 3,743 1,748 5,751 8,753 15,754 8,756 3,761 1,763 1,764 1,765 3,769 1,772 28,773 6,774 4,775 6,779 4,784 1,785 2,795 1,801 1,802 2,818 1,822 1,823 1,824 1,830 1,832 3,840 29,841 1,845 1,846 7,847 1,850 1,862 3.5,864 1,865 1,869 14.833,870 9.683,871 6.556,872 3.578,874 2.534,875 1.361,876 0.949,877 7.828,878 9.55,879 3.714,880 4.205,881 4.654,882 5.175,883 5.643,884 5.806,885 6.205,886 6.528,887 6.743,888 6.989,889 0.875,890 37,891 10.711,893 4.42,894 7.753,895 20.666,897 16.731,899 2.253,900 65.333,902 1,903 1,904 282.506,905 117.293,906 84.479,908 67.828,911 117.293,912 350.335,913 84.479,915 50.639,916 66.334,917 127.077,918 47.194,919 1.899,920 258.964,922 282.506,923 201.772,924 67.828,927 235.422,928 114.913,931 85.519,932 71.98,933 44.273,935 282.506,936 152.307,937 117.293,940 282.506,941 32.864,942 84.429,943 18.011,944 134.297,945 282.506,946 152.307,947 117.293,949 0.559,950 0.302,951 0.167,952 0.084,953 16,954 7,955 0.153,956 9,958 1,959 4.141,960 236.797,962 17,963 136.881,968 21.069,969 10.775,970 6.721,972 152.307,973 15.468,974 4.226,978 2.89,980 93.591,981 552.106,982 40,987 10.793,989 2.078,990 4.584,991 0.699,994 56.665,995 64.394,996 0.252,997 0.624,998 0.799,999 0.91,1000 0.916,1001 0.916,1002 4.913,1003 1.397,1004 5.7,1005 3.71,1006 4.394,1007 4.89,1008 2.515,1009 6.412,1010 4.35,1011 6.07,1012 1.196,1013 7.188,1014 2.946,1015 3.761,1016 4.425,1017 2.331,1018 7.111,1019 3.687,1020 7.332,1021 1.114,1022 8.776,1023 2.636,1024 5.878,1025 6.921,1026 3.711,1027 10.205,1028 5.793,1029 8.627,1030 1,1031 10.428,1032 2.462,1033 6.089,1034 7.27,1035 4.145,1036 11.819,1037 5.988,1038 9.954,1039 0.804,1040 12.125,1041 2.136,1042 7.628,1043 9.231,1044 5.225,1045 14.403,1046 7.514,1047 11.304,1048 0.618,1049 13.855,1050 1.923,1051 8.26,1052 9.999,1053 5.899,1054 16.415,1055 8.14,1056 12.672,1057 0.122,1058 15.61,1059 1.372,1060 9.541,1061 11.701,1062 6.855,1063 18.825,1064 9.41,1065 3.029,1066 -0.08,1067 17.384,1068 0.278,1069 10.394,1070 12.711,1071 7.628,1072 21.012,1073 10.263,1074 2.687,1075 10.224,1076 19.175,1077 -0.221,1078 11.559,1079 14.271,1080 8.527,1081 23.362,1082 11.421,1083 2.491,1084 7.733,1085 20.979,1086 3.987,1087 12.527,1088 15.427,1089 9.343,1090 25.626,1091 12.392,1092 2.232,1093 7.151,1094 22.794,1095 3.499,1096 13.643,1097 16.905,1098 10.216,1099 27.956,1100 13.504,1101 2.155,1102 6.064,1103 24.617,1104 3.109,1105 14.672,1106 18.15,1107 11.051,1108 30.253,1109 14.536,1110 1.889,1111 5.185,1112 26.449,1113 2.797,1114 15.769,1115 19.582,1116 11.912,1117 32.578,1118 15.633,1119 1.564,1120 4.942,1121 28.287,1122 2.707,1123 16.829,1124 20.88,1125 12.755,1126 34.889,1127 16.697,1128 10581,1129 16898,1130 20.86,1131 37.069,1132 44.912,1133 45.134,1134 45.266,1135 44.721,1136 44.598,1137 56.795,1138 7.684,1139 117.525,1140 43.564,1141 5.243,1142 5.596,1143 6.31,1144 5.081,1145 5.029,1146 6.987,1147 3.925,1148 17.028,1149 5.019,1150 12.628,1151 1.449,1152 1.456,1153 1.46,1154 1.443,1155 1.439,1156 1.832,1157 0.248,1158 3.791,1159 1.405,1160 4.015,1161 4.049,1162 3.96,1163 3.951,1164 7.474,1165 3.949,1166 3.876,1167 3.933,1168 3.774,1169 3.753,1170 6.351,1171 3.747,1172 3.799,1173 3.841,1174 3.715,1175 3.709,1176 5.146,1177 3.707,1178 3.695,1179 3.74,1180 3.579,1181 3.549,1182 4.919,1183 3.544,1184 3.443,1185 3.52,1186 3.357,1187 3.241,1188 4.72,1189 3.259,1190 3.355,1191 3.395,1192 3.256,1193 3.127,1194 4.361,1195 3.156,1196 3.036,1197 3.074,1198 2.913,1199 2.838,1200 4.244,1201 2.851,1202 2.887,1203 2.979,1204 2.74,1205 2.728,1206 3.977,1207 2.72,1208 0.142,1209 0.116,1210 0.21,1211 0.13,1212 0.098,1213 4.392,1214 0.129,1215 3.596,1216 0.076,1217 6.508,1218 0.33,1219 4.026,1220 0.097,1221 3.029,1222 3.987,1223 2.341,1224 10.224,1225 3.019,1226 1.977,1227 1.953,1228 2.075,1229 2.059,1230 1.283,1231 2.065,1232 1.793,1233 1.756,1234 1.926,1235 1.927,1236 1.211,1237 1.926,1238 1.678,1239 1.629,1240 1.888,1241 1.856,1242 1.19,1243 1.868,1244 1.623,1245 1.561,1246 1.86,1247 1.811,1248 1.123,1249 1.819,1250 1.577,1251 1.507,1252 1.831,1253 1.751,1254 0.942,1255 1.793,1256 1.337,1257 1.301,1258 1.533,1259 1.553,1260 0.674,1261 1.545,1262 1.203,1263 1.118,1264 1.428,1265 1.495,1266 0.371,1267 1.489,1268 0.978,1269 0.937,1270 1.219,1271 1.215,1272 0.303,1273 1.211,1274 4.143,1276 5.407,1277 2.398,1278 6.845,1279 4.443,1280 8.367,1281 6.26,1282 9.939,1288 6.108,1289 8.873,1290 6.083,1291 3.205,1294 0.325,1300 34.837,1301 83.827,1302 207.468,1303 265.746,1304 302.475,1305 304.475,1306 304.475,1307 56.268,1308 7.016,1309 100.6,1310 100.6,1311 17,1312 12.213,1313 4,1314 3.322,1315 52.232,1316 118,1317 123,1318 0.206,1319 218.037,1320 385.4,1321 523.771,1322 9950,1324 20.476,1325 0.706,1326 0.571,1327 20.476,1328 16.55,1329 14.114,1330 0.455,1331 0.327,1332 10.058,1333 13.722,1334 9.868,1335 8.217,1336 14.114,1337 10.147,1338 12.26,1339 0.307,1340 0.183,1341 12.26,1342 7.304,1343 9.199,1344 0.192,1345 0.104,1346 9.199,1347 5.008,1348 7.767,1349 0.127,1350 0.059,1351 7.767,1352 3.599,1353 5.61,1354 0.083,1355 0.029,1356 5.61,1357 1.974,1358 0.325,1359 87.445,1360 0.219,1361 27.85,1362 0.561,1363 142,1364 380.821,1365 153.117,1366 375.926,1367 506.75,1368 350,1369 159,1370 365.343,1371 167.653,1372 372.205,1373 532.45,1374 351,1375 5.409} {0 CHEMBL21852,1 1.457,2 12.694,3 5.297,4 28.053,5 140.614,6 7.01,7 0.3,8 4.315,9 4.441,10 3.829,11 3.884,12 5.377,13 3.845,14 4.892,15 5.066,16 4.203,17 4.343,18 5.904,19 4.262,20 5.279,21 5.515,22 4.22,23 4.537,24 6.102,25 4.405,26 5.353,27 5.64,28 4.184,29 4.483,30 6.153,31 4.334,32 5.19,33 5.436,34 4.205,35 4.419,36 6.15,37 4.318,38 5.219,39 5.469,40 4.262,41 4.463,42 6.177,43 4.357,44 5.201,45 5.437,46 4.234,47 4.46,48 6.245,49 4.356,50 5.204,51 5.455,52 4.204,53 4.402,54 6.251,55 4.294,56 0.061,57 1.013,58 15.03,59 6.514,60 16.071,61 8.876,62 0.301,63 1.716,64 28.077,65 12.101,66 51.649,67 16.718,68 0.337,69 2.312,70 44.007,71 16.638,72 53.756,73 24.014,74 0.417,75 2.357,76 49.483,77 17.89,78 70.287,79 26.552,80 0.424,81 2.165,82 40.971,83 13.362,84 66.296,85 20.003,86 0.314,87 2.215,88 41.817,89 14.788,90 56.768,91 22.006,92 0.391,93 2.224,94 40.771,95 13.806,96 71.604,97 20.512,98 0.29,99 2.098,100 41.49,101 14.807,102 69.417,103 21.662,104 21,105 56,106 0.228,107 0.573,108 0.729,109 0.824,110 0.829,111 0.829,112 3.616,113 0.972,114 -5.51,115 -5.39,116 -5.03,118 42,120 9,121 3,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 21,169 1,171 1,172 3,175 3,176 1,177 6,180 29,181 1,186 3,191 6,194 23,195 1,198 8,201 2,203 11,206 16,207 1,210 9,215 8,218 12,219 1,222 13,227 8,229 14,230 2,234 11,237 1,239 6,242 16,243 3,247 10,248 1,252 6,255 19,256 2,258 2,259 6,262 2,264 4,265 1,267 18,268 1,270 2518,271 24.61,272 24.61,273 24.61,274 24.61,275 24.61,276 22.355,277 21.135,278 14.885,279 24.921,280 19.851,281 19.851,282 19.851,283 19.851,284 19.851,285 16.487,286 31.453,287 7.127,288 20.326,289 4.652,290 2.445,291 1.447,292 0.841,293 0.812,294 0.812,295 4.324,300 1,301 1004,302 4.796,306 707.684,308 443.313,313 1.951,314 29.899,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.79,325 76.5,326 457,327 4.473,328 3.929,329 7.288,330 4.438,331 3.459,332 3.988,333 2.341,334 13.117,335 3.389,336 4.391,337 3.596,338 6.508,339 4.025,340 3.029,341 3.544,342 1.473,343 10.225,344 3.019,345 3.985,346 3.565,347 5.697,348 3.619,349 2.66,350 3.453,351 0.981,352 8.031,353 2.563,354 3.784,355 3.068,356 5.576,357 3.498,358 2.513,359 3.069,360 0.247,361 7.627,362 2.469,363 3.552,364 2.925,365 5.248,366 3.237,367 2.234,368 2.784,370 6.512,371 2.219,372 3.522,373 2.569,374 5.061,375 3.185,376 2.229,377 2.706,379 6.076,380 2.122,381 3.47,382 2.399,383 5.061,384 3,385 2,386 2.503,388 6.076,389 2,390 3.219,391 2.079,392 4.895,393 3,394 2,395 2.167,397 5.512,398 2,399 3,400 2,401 4.659,402 2.919,403 1.957,404 2,406 5.182,407 1.875,408 3,409 2,410 4.115,411 2.565,412 1.577,413 2,415 3.729,416 1.554,417 2.966,418 1.848,419 3.564,420 2.377,421 1.398,422 1.793,424 2.947,425 1.365,426 2.725,427 1.478,428 3.513,429 2.185,430 1.195,431 1.678,433 2.623,434 1.182,435 2.636,436 1.21,437 3.476,438 1.957,439 1.028,440 1.572,442 2.136,443 0.954,444 2.5,445 1.101,446 3.396,447 1.938,448 1,449 1.5,451 1.925,452 0.935,453 2.204,454 1,455 3.396,456 1.801,457 0.804,458 1.062,460 1.779,461 0.799,462 17.167,463 0.477,464 0.828,465 0.023,466 42.75,467 1.188,468 20,469 0.556,470 22.75,471 0.632,472 37.974,473 1.055,474 38.633,475 0.56,476 32.699,477 0.908,478 7.412,479 0.206,480 10.103,481 0.281,482 0.062,483 0.029,484 0.262,487 0.816,488 1.21,489 0.855,490 1.044,491 0.593,492 0.968,493 0.404,494 1.09,495 0.924,496 1.148,497 0.291,498 1.109,499 0.855,500 1.123,501 1.098,502 1.13,503 0.613,504 1.141,505 0.61,506 0.965,507 0.799,508 0.911,509 0.48,510 0.885,511 1.135,512 1.012,513 1.066,514 0.907,515 0.839,516 0.95,517 0.77,518 1.098,519 0.89,520 0.954,521 0.687,522 0.931,523 0.995,524 1.046,525 1.122,526 1.022,527 1.146,528 1.056,529 0.865,530 1.091,531 0.903,532 1.033,533 0.97,534 0.976,535 8.5,536 0.186,537 2.222,538 3,539 1.067,540 0.889,541 0.723,542 0.736,543 0.499,544 0.296,545 20156,546 47633,547 2.13,548 47.8,549 13,550 7,552 2,553 3,554 2,555 6,558 1.778,559 2.028,560 3.616,561 0.745,567 100.532,568 1.457,569 3.664,570 4.662,571 5.267,572 5.296,573 5.296,574 3.063,575 4.44,576 5.142,577 3.837,578 2417.26,579 9.061,580 38972.6,585 421.488,586 1.355,587 5.112,588 0.213,589 0.005,590 0.04,591 0.056,592 0.021,593 0.016,594 0.012,595 0.013,596 0.009,597 0.007,598 0.391,599 0.17,600 0.63,601 1.337,602 196.445,603 -0.06,604 -0.022,605 0.038,606 0.049,607 0.037,608 0.054,609 0.254,610 0.018,611 -0.017,612 -0.077,613 0.234,614 -0.084,615 -0.095,616 -0.109,617 -0.147,618 -0.117,619 -0.03,620 -0.136,621 0.096,622 -0.036,623 0.178,624 0.075,625 0.083,626 0.123,627 -0.174,628 0.057,629 -0.081,630 0.045,631 -0.097,632 0.005,633 -0.022,634 -0.069,635 0.074,636 0.031,637 -0.026,638 0.059,639 -0.133,640 0.047,641 -0.154,642 -0.06,643 -0.16,644 -0.095,645 0.013,646 -0.096,647 0.073,648 -0.046,649 0.03,650 0.015,651 2.451,652 3.935,653 0.611,654 39.049,655 0.993,656 1.126,657 4.283,658 18.346,659 0.661,660 3.714,661 4.043,662 4.29,663 4.644,664 4.905,665 5.05,666 5.176,667 5.308,668 5.159,669 5.308,670 7.815,671 0.622,672 483.67,673 3.714,674 5.263,675 6.107,676 7.004,677 7.87,678 8.781,679 9.657,680 10.576,681 11.459,682 12.384,683 7.2,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 69,726 16,727 1,728 40,730 73,731 29,733 11,734 2,735 4,736 2,739 5,740 9,743 1,748 6,749 4,751 9,752 1,753 15,754 13,755 4,756 3,761 1,763 1,764 1,765 3,772 33,773 7,774 3,775 7,779 5,784 0.6,785 2,795 1,802 6,804 3,818 1,822 1,823 1,826 1,830 1,832 3,840 36,845 1,846 9,847 2,850 3,852 1,853 1,858 1,860 1,862 2.9,864 1,865 1,869 17.75,870 11.967,871 7.889,872 4.444,874 2.186,875 1.266,876 0.955,877 7.394,878 10.401,879 3.951,880 4.443,881 4.89,882 5.424,883 5.878,884 6.102,885 6.448,886 6.788,887 6.977,888 7.276,889 1,890 54,891 13.34,893 5.758,894 7.701,895 26.099,897 22.663,899 2.201,900 79.25,904 353.133,905 138.535,906 100.652,908 67.828,911 138.535,912 420.961,913 100.652,915 22.811,916 84.344,917 143.25,918 78.253,919 1.899,920 329.591,922 353.133,923 239.187,924 67.828,927 282.506,928 138.455,931 106.761,932 88.153,933 44.273,935 353.133,936 168.48,937 138.535,940 353.133,941 37.933,942 84.429,943 52.194,944 132.459,945 353.133,946 168.48,947 138.535,949 0.572,950 0.316,951 0.185,952 0.104,953 27,954 11,955 0.137,956 10,957 6,958 1.364,959 4.658,960 349.764,961 0.545,962 18,963 171.853,968 24.535,969 10.849,970 5.991,972 168.48,973 15.503,974 4.27,978 2.816,980 78.705,981 660.148,982 51,987 10.935,989 2.08,990 4.125,991 0.739,994 68.534,995 77.723,996 0.239,997 0.6,998 0.763,999 0.862,1000 0.867,1001 0.867,1002 5.22,1003 2,1004 6.103,1005 6.076,1006 4.727,1007 5.13,1008 2.745,1009 6.936,1010 4.687,1011 6.406,1012 1.957,1013 7.663,1014 5.512,1015 4.369,1016 4.783,1017 2.331,1018 8.052,1019 4.314,1020 7.704,1021 1.577,1022 9.333,1023 5.182,1024 6.365,1025 7.146,1026 3.86,1027 11.131,1028 6.29,1029 9.025,1030 1.398,1031 11.074,1032 3.729,1033 6.825,1034 7.558,1035 4.148,1036 13.15,1037 6.734,1038 10.378,1039 1.195,1040 12.865,1041 2.947,1042 8.319,1043 9.438,1044 5.3,1045 15.825,1046 8.213,1047 11.753,1048 1.028,1049 14.694,1050 2.623,1051 9.183,1052 10.241,1053 5.904,1054 18.2,1055 9.058,1056 13.146,1057 1,1058 16.553,1059 2.136,1060 10.485,1061 11.889,1062 6.888,1063 20.777,1064 10.345,1065 3.459,1066 0.804,1067 18.434,1068 1.925,1069 11.545,1070 12.915,1071 7.631,1072 23.277,1073 11.385,1074 3.029,1075 13.117,1076 20.335,1077 1.779,1078 12.78,1079 14.438,1080 8.541,1081 25.837,1082 12.604,1083 2.66,1084 10.225,1085 22.25,1086 3.988,1087 13.93,1088 15.598,1089 9.345,1090 28.381,1091 13.733,1092 2.513,1093 8.031,1094 24.178,1095 3.544,1096 15.149,1097 17.051,1098 10.222,1099 30.942,1100 14.933,1101 2.234,1102 7.627,1103 26.116,1104 3.453,1105 16.34,1106 18.291,1107 11.052,1108 33.502,1109 16.104,1110 2.229,1111 6.512,1112 28.062,1113 3.069,1114 17.558,1115 19.706,1116 11.914,1117 36.067,1118 17.302,1119 2,1120 6.076,1121 30.014,1122 2.784,1123 18.769,1124 20.997,1125 12.756,1126 38.633,1127 18.491,1128 18882,1129 29174,1130 27.216,1131 45.597,1132 60.909,1133 62.653,1134 61.268,1135 58.546,1136 58.413,1137 71.909,1138 10.085,1139 167.551,1140 57.128,1141 5.473,1142 5.929,1143 7.09,1144 5.483,1145 5.459,1146 6.988,1147 3.925,1148 19.933,1149 5.389,1150 14.749,1151 1.523,1152 1.566,1153 1.532,1154 1.464,1155 1.46,1156 1.798,1157 0.252,1158 4.189,1159 1.428,1160 4.089,1161 4.134,1162 3.999,1163 4.001,1164 7.474,1165 3.994,1166 3.992,1167 4.022,1168 3.927,1169 3.932,1170 6.832,1171 3.927,1172 3.809,1173 3.852,1174 3.747,1175 3.714,1176 6.351,1177 3.716,1178 3.695,1179 3.741,1180 3.582,1181 3.549,1182 4.928,1183 3.545,1184 3.557,1185 3.626,1186 3.517,1187 3.326,1188 4.784,1189 3.366,1190 3.378,1191 3.407,1192 3.292,1193 3.211,1194 4.574,1195 3.223,1196 3.231,1197 3.304,1198 3.127,1199 3.096,1200 4.378,1201 3.073,1202 3.228,1203 3.304,1204 3.039,1205 3.096,1206 4.225,1207 3.073,1208 0.112,1209 0.098,1210 0.182,1211 0.111,1212 0.086,1213 4.473,1214 0.1,1215 3.929,1216 0.059,1217 7.288,1218 0.328,1219 4.438,1220 0.085,1221 3.459,1222 3.988,1223 2.341,1224 13.117,1225 3.389,1226 2.063,1227 2.022,1228 2.232,1229 2.179,1230 1.699,1231 2.199,1232 1.977,1233 1.953,1234 2.074,1235 2.056,1236 1.283,1237 2.064,1238 1.791,1239 1.755,1240 1.923,1241 1.916,1242 1.125,1243 1.917,1244 1.678,1245 1.629,1246 1.887,1247 1.856,1248 0.947,1249 1.868,1250 1.449,1251 1.383,1252 1.597,1253 1.7,1254 0.947,1255 1.669,1256 1.323,1257 1.287,1258 1.562,1259 1.532,1260 0.947,1261 1.523,1262 1.262,1263 1.192,1264 1.562,1265 1.445,1266 0.923,1267 1.489,1268 1.262,1269 1.192,1270 1.527,1271 1.445,1272 0.674,1273 1.489,1274 4.394,1276 5.72,1278 7.253,1280 8.9,1282 10.611,1289 8.986,1290 8.932,1291 7.06,1294 2.385,1296 0.042,1298 9.403,1299 1.973,1300 42.912,1301 100.532,1302 252.804,1303 321.656,1304 363.449,1305 365.449,1306 365.449,1307 67.793,1308 8.215,1309 110.4,1310 110.4,1311 30,1312 12.898,1313 4.087,1314 3.585,1315 54.28,1316 169,1317 176,1318 0.153,1319 261.744,1320 470.2,1321 630.415,1322 45422,1324 24.96,1325 0.693,1326 0.569,1327 24.96,1328 20.489,1329 17.516,1330 0.438,1331 0.324,1332 12.863,1333 17.051,1334 12.596,1335 10.408,1336 17.516,1337 12.966,1338 16.045,1339 0.287,1340 0.192,1341 16.045,1342 10.735,1343 12.503,1344 0.174,1345 0.11,1346 12.503,1347 7.936,1348 11.622,1349 0.113,1350 0.068,1351 11.622,1352 6.977,1353 9.398,1354 0.07,1355 0.04,1356 9.398,1357 5.294,1358 0.241,1359 108.347,1360 0.192,1361 32.929,1362 0.416,1363 192,1364 475.486,1365 204.893,1366 473.294,1367 641.39,1368 440,1369 224,1370 467.512,1371 234.485,1372 479.097,1373 688.12,1374 450,1375 8.523} {0 CHEMBL21874,1 1.541,2 12.355,3 3.292,4 10.839,5 123.018,6 7.128,7 0.375,8 4.136,9 4.272,10 3.64,11 3.626,12 5.309,13 3.603,14 4.63,15 4.834,16 3.897,17 3.97,18 5.766,19 3.906,20 4.86,21 5.085,22 3.916,23 4.122,24 5.867,25 4.023,26 4.953,27 5.21,28 3.957,29 4.153,30 5.926,31 4.043,32 4.955,33 5.196,34 4.017,35 4.197,36 5.977,37 4.104,38 4.983,39 5.214,40 4.055,41 4.241,42 6.008,43 4.141,44 5.036,45 5.286,46 4.02,47 4.227,48 6.072,49 4.121,50 5.031,51 5.297,52 3.999,53 4.146,54 6.113,55 4.044,56 0.039,57 0.874,58 12.506,59 4.872,60 15.416,61 6.901,62 0.359,63 1.297,64 22.336,65 7.905,66 49.174,67 11.45,68 0.294,69 1.526,70 28.816,71 10.061,72 51.936,73 14.716,74 0.312,75 1.606,76 32.508,77 11.308,78 59.707,79 16.852,80 0.377,81 1.672,82 32.189,83 10.712,84 59.08,85 15.984,86 0.219,87 1.758,88 32.341,89 11.24,90 50.529,91 16.942,92 0.369,93 1.798,94 34.992,95 11.072,96 57.625,97 17.015,98 0.261,99 1.66,100 35.62,101 11.429,102 60.776,103 17.484,104 57,105 40,106 0.251,107 0.631,108 0.816,109 0.875,110 0.881,111 0.881,112 3.471,113 0.941,114 -3.55,115 -3.52,116 -3.36,118 39,120 3,123 2,124 2,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 12,169 1,172 3,175 4,176 1,177 3,180 14,181 1,185 1,186 3,191 3,194 14,195 1,197 1,198 5,201 1,203 5,206 13,207 1,210 6,213 2,215 5,218 12,219 1,222 7,227 5,229 8,230 2,233 1,234 10,237 1,239 6,242 4,243 3,247 9,248 1,252 6,255 1,256 2,258 2,259 8,262 2,264 4,265 1,268 1,270 1914,271 20.819,272 20.819,273 20.819,274 20.819,275 20.819,276 18.487,277 20.365,278 13.138,279 21.259,280 15.83,281 15.83,282 15.83,283 15.83,284 15.83,285 12.382,286 22.379,287 6.233,288 16.477,289 4.342,290 2.001,291 0.865,292 0.5,293 0.466,294 0.466,295 4.141,299 1,300 1,301 768,302 4.848,306 242.15,313 1.915,314 26.294,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 67,326 383,327 4.393,328 3.921,329 6.508,330 4.026,331 3.03,332 3.987,333 2.341,334 10.225,335 3.019,336 4.001,337 3.596,338 5.617,339 3.59,340 2.647,341 3.501,342 1.374,343 7.776,344 2.512,345 3.773,346 3.097,347 5.271,348 3.285,349 2.336,350 3.103,351 1.107,352 6.616,353 2.219,354 3.551,355 2.988,356 4.91,357 3.237,358 2.232,359 2.778,360 0.8,361 5.581,362 2.204,363 3.465,364 2.581,365 4.659,366 3.113,367 2.194,368 2.706,369 0.268,370 5.183,371 2.019,372 3.366,373 2.461,374 4.646,375 2.945,376 1.981,377 2.215,379 5.14,380 1.899,381 3.19,382 2.09,383 4.115,384 2.57,385 1.582,386 2.155,388 3.732,389 1.559,390 2.983,391 1.857,392 3.564,393 2.378,394 1.398,395 1.809,397 2.947,398 1.365,399 2.726,400 1.489,401 3.497,402 2.185,403 1.227,404 1.768,406 2.629,407 1.183,408 2.638,409 1.354,410 3.324,411 2.14,412 1.193,413 1.67,415 2.378,416 1.119,417 2.5,418 1.203,419 3.261,420 1.957,421 1,422 1.5,424 2.136,425 0.954,426 2.205,427 1.101,428 3.247,429 1.807,430 0.862,431 1.063,433 1.925,434 0.807,435 2.065,436 1,437 3.059,438 1.783,439 0.803,440 0.989,442 1.56,443 0.788,444 1.297,445 0.596,446 2.595,447 1.123,448 0.122,449 0.136,451 0.278,452 0.121,453 1.227,454 0.574,455 2.524,456 0.871,457 -0.068,458 -0.081,460 -0.171,461 -0.064,462 14.567,463 0.47,464 0.596,465 0.019,466 39.5,467 1.274,468 20,469 0.645,470 19.5,471 0.629,472 25.446,473 0.821,474 34.033,475 0.577,476 32.494,477 1.048,478 8.168,479 0.263,480 6.822,481 0.22,482 0.142,484 0.233,487 0.888,488 1.465,489 0.87,490 1.176,491 0.656,492 1.042,493 0.667,494 0.911,495 0.934,496 0.962,497 0.4,498 0.973,499 0.974,500 1.06,501 1.072,502 1.067,503 0.878,504 1.083,505 0.704,506 0.985,507 0.837,508 0.952,509 0.611,510 0.924,511 0.917,512 0.911,513 0.975,514 0.901,515 0.793,516 0.933,517 0.746,518 1.243,519 0.99,520 1.148,521 0.707,522 1.107,523 0.872,524 1.035,525 1.079,526 1.053,527 0.799,528 1.073,529 0.825,530 1.093,531 0.831,532 1.025,533 0.764,534 0.937,535 5.5,536 0.165,537 2.222,538 1.688,539 0.853,540 0.646,541 0.565,542 0.62,543 0.349,544 0.237,545 11844,546 35159,547 1.96,548 47.5,549 4,550 17,552 2,553 3,554 2,558 1.742,559 1.842,560 3.584,561 0.876,563 1,567 90.918,568 1.541,569 3.882,570 5.018,571 5.382,572 5.416,573 5.416,574 3.06,575 4.632,576 4.918,577 3.776,578 1755.96,579 8.628,580 26177.2,582 1,585 347.076,586 1.342,587 4.886,588 0.172,589 0.006,590 0.056,591 0.042,592 0.02,593 0.014,594 0.012,595 0.014,596 0.008,597 0.007,598 0.352,599 0.33,600 0.88,601 2.162,602 162.813,603 -0.079,604 -0.218,605 0.016,606 -0.063,607 -0.019,608 -0.019,609 0.173,610 0.228,612 0.067,613 0.19,614 0.019,615 -0.12,616 -0.009,617 -0.127,618 -0.036,619 -0.116,620 -0.078,621 0.042,622 -0.011,623 0.118,624 0.069,625 0.045,626 0.095,627 -0.083,628 0.133,629 -0.018,630 0.102,631 -0.078,632 0.06,633 -0.055,634 -0.187,635 -0.06,636 -0.116,637 -0.052,638 -0.094,639 -0.081,640 0.02,641 -0.121,642 -0.077,643 -0.07,644 -0.095,645 0.03,646 -0.143,647 0.147,648 -0.038,649 0.099,650 0.061,651 2.464,652 3.815,653 0.387,654 37.523,655 1,656 1.135,657 2.317,658 5.367,659 0.649,660 3.497,661 3.714,662 3.85,663 4.06,664 4.234,665 4.277,666 4.394,667 4.5,668 4.454,669 4.454,670 7.458,671 0.616,672 420.57,673 3.497,674 4.977,675 5.759,676 6.586,677 7.396,678 8.236,679 9.06,680 9.908,681 10.742,682 11.595,683 10.2,685 1,686 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 59,726 16,727 1,728 32,730 60,731 23,733 11,734 2,735 4,736 2,739 2,740 2,743 1,751 3,752 1,753 15,754 7,756 3,761 1,763 1,764 1,765 3,769 1,772 28,773 8,774 3,775 8,779 6,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,828 1,830 1,832 2,836 2,840 31,845 1,846 5,847 2,851 1,853 1,858 1,860 1,862 3.4,864 1,865 1,869 16.833,870 10.917,871 7.222,872 3.369,874 2.492,875 1.36,876 0.919,877 10.235,878 9.411,879 3.784,880 4.234,881 4.654,882 5.18,883 5.664,884 5.834,885 6.224,886 6.564,887 6.764,888 6.998,889 1,890 40,891 11.365,893 4.496,894 7.887,895 21.462,897 16.293,899 2.387,900 74,903 1,904 294.278,905 144.332,906 103.776,908 67.828,911 144.332,912 362.106,913 103.776,914 16.793,915 11.815,916 84.344,917 143.25,918 81.378,919 1.899,920 270.735,922 294.278,923 248.108,924 67.828,927 294.278,928 67.828,931 98.89,932 104.946,933 44.273,935 294.278,936 171.605,937 144.332,940 294.278,941 26.937,942 104.346,943 52.194,944 132.459,945 294.278,946 171.605,947 144.332,949 0.548,950 0.287,951 0.155,952 0.086,953 13,954 7,955 0.2,956 12,958 1,959 4.198,960 249.85,962 12,963 151.58,968 24.078,969 13.177,970 9.001,972 171.605,973 15.12,974 4.211,978 2.687,980 78.705,981 610.214,982 43,987 10.815,989 2.04,990 4.409,991 0.56,994 58.985,995 66.976,996 0.262,997 0.66,998 0.853,999 0.915,1000 0.921,1001 0.921,1002 4.977,1003 1.398,1004 5.687,1005 3.732,1006 4.394,1007 4.92,1008 2.805,1009 6.378,1010 4.325,1011 6.143,1012 1.227,1013 7.165,1014 2.947,1015 3.761,1016 4.425,1017 2.367,1018 7.081,1019 3.661,1020 7.403,1021 1.193,1022 8.746,1023 2.629,1024 5.855,1025 6.937,1026 3.846,1027 10.156,1028 5.733,1029 8.693,1030 1,1031 10.392,1032 2.378,1033 6.043,1034 7.256,1035 4.153,1036 11.781,1037 5.909,1038 10.013,1039 0.862,1040 12.086,1041 2.136,1042 7.586,1043 9.237,1044 5.276,1045 14.362,1046 7.434,1047 11.355,1048 0.803,1049 13.813,1050 1.925,1051 8.196,1052 9.989,1053 5.903,1054 16.388,1055 8.048,1056 12.715,1057 0.122,1058 15.567,1059 1.56,1060 9.486,1061 11.702,1062 6.873,1063 18.799,1064 9.325,1065 3.03,1066 -0.068,1067 17.343,1068 0.278,1069 10.326,1070 12.706,1071 7.63,1072 20.996,1073 10.177,1074 2.647,1075 10.225,1076 19.135,1077 -0.171,1078 11.498,1079 14.271,1080 8.533,1081 23.349,1082 11.342,1083 2.336,1084 7.776,1085 20.941,1086 3.987,1087 12.462,1088 15.425,1089 9.344,1090 25.617,1091 12.319,1092 2.232,1093 6.616,1094 22.759,1095 3.501,1096 13.583,1097 16.905,1098 10.218,1099 27.95,1100 13.438,1101 2.194,1102 5.581,1103 24.586,1104 3.103,1105 14.612,1106 18.149,1107 11.051,1108 30.249,1109 14.478,1110 1.981,1111 5.183,1112 26.421,1113 2.778,1114 15.715,1115 19.583,1116 11.913,1117 32.575,1118 15.581,1119 1.582,1120 5.14,1121 28.262,1122 2.706,1123 16.778,1124 20.88,1125 12.756,1126 34.887,1127 16.652,1128 12174,1129 21093,1130 20.86,1131 38.319,1132 46.775,1133 48.262,1134 46.593,1135 45.326,1136 45.213,1137 58.761,1138 11.781,1139 116.209,1140 43.538,1141 5.222,1142 5.921,1143 6.31,1144 5.062,1145 5.03,1146 6.987,1147 3.925,1148 17.028,1149 5.019,1150 17.446,1151 1.462,1152 1.508,1153 1.456,1154 1.416,1155 1.413,1156 1.836,1157 0.368,1158 3.632,1159 1.361,1160 4.011,1161 4.043,1162 3.959,1163 3.949,1164 7.474,1165 3.947,1166 3.816,1167 3.865,1168 3.754,1169 3.714,1170 6.826,1171 3.717,1172 3.714,1173 3.789,1174 3.612,1175 3.549,1176 6.351,1177 3.545,1178 3.695,1179 3.74,1180 3.578,1181 3.496,1182 4.928,1183 3.512,1184 3.517,1185 3.603,1186 3.421,1187 3.261,1188 4.794,1189 3.291,1190 3.378,1191 3.407,1192 3.292,1193 3.199,1194 4.598,1195 3.216,1196 3.202,1197 3.296,1198 3.097,1199 2.956,1200 4.294,1201 2.972,1202 3.056,1203 3.115,1204 2.925,1205 2.849,1206 4.226,1207 2.863,1208 0.137,1209 0.123,1210 0.203,1211 0.126,1212 0.095,1213 4.393,1214 0.125,1215 3.921,1216 0.073,1217 6.508,1218 0.32,1219 4.026,1220 0.094,1221 3.03,1222 3.987,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.953,1228 2.075,1229 2.06,1230 1.283,1231 2.065,1232 1.793,1233 1.756,1234 1.928,1235 1.941,1236 1.128,1237 1.937,1238 1.679,1239 1.629,1240 1.894,1241 1.882,1242 1.107,1243 1.891,1244 1.652,1245 1.571,1246 1.886,1247 1.855,1248 0.942,1249 1.868,1250 1.418,1251 1.341,1252 1.629,1253 1.704,1254 0.718,1255 1.68,1256 1.32,1257 1.278,1258 1.528,1259 1.533,1260 0.673,1261 1.523,1262 1.153,1263 1.06,1264 1.417,1265 1.43,1266 0.469,1267 1.44,1268 0.99,1269 0.947,1270 1.401,1271 1.243,1272 0.388,1273 1.308,1274 4.174,1276 5.416,1278 6.834,1280 8.341,1282 9.902,1284 3.93,1289 8.887,1290 2.648,1291 5.743,1295 2.017,1298 9.024,1299 1.908,1300 36.353,1301 90.918,1302 229.037,1303 296.056,1304 317.566,1305 319.566,1306 319.566,1307 74.439,1308 6.919,1309 113.64,1310 113.64,1311 12,1312 12.156,1313 4.087,1314 3.585,1315 72.579,1316 134,1317 143,1318 0.256,1319 233.164,1320 414.48,1321 560.681,1322 8406,1324 22.476,1325 0.725,1326 0.577,1327 22.476,1328 17.876,1329 14.99,1330 0.468,1331 0.314,1332 9.888,1333 14.394,1334 9.59,1335 8.082,1336 14.99,1337 10.034,1338 12.748,1339 0.319,1340 0.178,1341 12.748,1342 7.122,1343 9.011,1344 0.196,1345 0.094,1346 9.011,1347 4.344,1348 7.361,1349 0.129,1350 0.05,1351 7.361,1352 2.85,1353 5.685,1354 0.084,1355 0.027,1356 5.685,1357 1.845,1358 0.404,1359 94.049,1360 0.219,1361 29.406,1362 0.696,1363 144,1364 447.131,1365 157.642,1366 440.635,1367 580.33,1368 408,1369 158,1370 404.216,1371 169.678,1372 415.666,1373 584.41,1374 386,1375 5.538} {0 CHEMBL21954,1 1.607,2 13.216,3 5.304,4 28.13,5 146.72,6 7.547,7 0.462,8 4.3,9 4.411,10 3.979,11 3.874,12 5.41,13 3.823,14 4.815,15 4.979,16 4.266,17 4.237,18 6.117,19 4.163,20 5.09,21 5.292,22 4.293,23 4.376,24 6.189,25 4.273,26 5.176,27 5.413,28 4.334,29 4.364,30 6.301,31 4.262,32 5.132,33 5.33,34 4.392,35 4.425,36 6.262,37 4.339,38 5.271,39 5.485,40 4.446,41 4.556,42 6.364,43 4.445,44 5.355,45 5.559,46 4.388,47 4.582,48 6.499,49 4.476,50 5.34,51 5.579,52 4.352,53 4.561,54 6.382,55 4.432,56 0.107,57 0.996,58 17.081,59 6.736,60 23.172,61 8.37,62 0.47,63 1.56,64 27.527,65 11.169,66 86.029,67 14.404,68 0.408,69 1.967,70 39.819,71 13.537,72 75.819,73 17.85,74 0.61,75 2.032,76 45.53,77 15.158,78 104.031,79 20.221,80 0.525,81 2.082,82 40.69,83 13.322,84 88.387,85 17.109,86 0.41,87 2.334,88 53.932,89 18.416,90 82.476,91 23.094,92 0.697,93 2.394,94 49.34,95 17.739,96 138.476,97 23,98 0.344,99 2.377,100 48.889,101 18.611,102 75.418,103 25.493,104 61,105 54,106 0.251,107 0.581,108 0.733,109 0.824,110 0.842,111 0.842,112 3.642,113 1.03,114 -4.55,115 -4.48,116 -4.22,118 40.6,119 3,120 3,129 1,133 1,134 1,140 11,141 2,142 2,143 2,154 1,155 1,163 1,167 1,168 16,169 1,171 1,172 6,175 5,176 1,177 3,180 21,181 1,186 7,191 5,194 16,195 1,197 2,198 9,201 2,203 13,206 13,207 1,210 10,215 8,218 12,219 1,222 17,227 7,229 14,230 2,234 11,237 1,239 7,242 20,243 3,247 9,248 1,252 6,255 21,256 2,258 2,259 8,262 2,264 4,265 1,267 19,268 1,270 2802,271 24.023,272 24.023,273 24.023,274 24.023,275 24.023,276 20.962,277 21.541,278 14.518,279 24.394,280 19.342,281 19.342,282 19.342,283 19.342,284 19.342,285 14.74,286 29.505,287 6.984,288 19.967,289 4.502,290 2.387,291 1.411,292 0.83,293 0.714,294 0.714,295 4.319,300 1,301 1009,302 5.477,306 440.019,313 1.832,314 44.693,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 80,326 489,327 4.855,328 4.687,329 7.308,330 4.313,331 3.395,332 4.702,333 2.341,334 12.51,335 3.098,336 4.393,337 3.596,338 6.509,339 4.089,340 3.126,341 3.988,342 1.233,343 10.232,344 3.018,345 4.238,346 3.38,347 6.454,348 4.023,349 3.026,350 3.523,351 0.268,352 10.183,353 2.998,354 3.92,355 3.052,356 5.585,357 3.534,358 2.569,359 3.365,361 7.647,362 2.484,363 3.598,364 2.8,365 5.264,366 3.237,367 2.232,368 3.051,370 6.5,371 2.219,372 3.552,373 2.409,374 4.987,375 3.175,376 2.214,377 2.859,379 5.642,380 2.126,381 3.512,382 2.087,383 4.68,384 3.019,385 2.029,386 2.709,388 5.184,389 2.007,390 3.316,391 1.985,392 4.658,393 2.813,394 1.852,395 2.476,397 4.971,398 1.77,399 2.969,400 1.84,401 4.112,402 2.547,403 1.559,404 2.122,406 3.719,407 1.534,408 2.726,409 1.477,410 3.63,411 2.374,412 1.396,413 1.784,415 2.946,416 1.362,417 2.693,418 1.316,419 3.564,420 2.188,421 1.196,422 1.754,424 2.745,425 1.184,426 2.635,427 1.205,428 3.494,429 2.158,430 1.166,431 1.669,433 2.612,434 1.154,435 2.5,436 1.101,437 3.26,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1,446 3.247,447 1.957,448 1,449 1.5,451 2.136,452 0.954,453 2.204,454 1,455 3.247,456 1.802,457 0.804,458 1.062,460 1.923,461 0.799,462 17.767,463 0.48,464 1.139,465 0.031,466 48.25,467 1.304,468 26,469 0.703,470 22.25,471 0.601,472 35.121,473 0.949,474 40.433,475 0.586,476 43.219,477 1.168,478 9.331,479 0.252,480 8.202,481 0.222,482 0.159,483 0.075,484 0.197,487 0.649,488 1.291,489 0.864,490 1.193,491 0.727,492 0.991,493 0.436,494 1.077,495 0.835,496 1.027,497 0.445,498 0.993,499 1.059,500 1.155,501 1.118,502 1.103,503 0.967,504 1.088,505 0.861,506 1.05,507 0.883,508 0.912,509 0.853,510 0.847,511 1.348,512 1.026,513 1.135,514 0.909,515 1.128,516 0.969,517 0.883,518 1.135,519 1.306,520 1.244,521 0.748,522 1.004,523 1.357,524 1.008,525 1.081,526 0.967,527 1.463,528 1.097,529 0.677,530 1.07,531 0.842,532 1.025,533 0.599,534 1.058,535 9.5,536 0.371,537 3.556,538 3,539 1.422,540 1.528,541 0.974,542 0.877,543 0.621,544 0.522,545 19189,546 56377,547 1.966,548 46.4,549 4,550 12,552 2,553 3,554 2,555 9,558 1.787,559 1.82,560 3.625,561 0.782,567 110.882,568 1.607,569 3.721,570 4.698,571 5.278,572 5.394,573 5.394,574 3.036,575 4.703,576 5.18,577 3.844,578 2560.11,579 9.153,580 42289,585 421.488,586 1.6,587 5.115,588 0.244,589 0.008,590 0.066,591 0.058,592 0.025,593 0.026,594 0.015,595 0.015,596 0.011,597 0.01,598 0.478,599 0.17,600 0.75,601 1.473,602 203.491,603 0.032,604 -0.087,605 0.161,606 -0.03,607 -0.141,608 0.029,609 0.365,610 0.037,611 0.097,612 0.006,613 0.306,614 -0.002,615 -0.142,616 -0.076,617 -0.11,618 -0.088,619 -0.119,620 -0.115,621 0.103,622 -0.048,623 0.148,624 0.081,625 0.071,626 0.135,627 -0.262,628 0.102,629 -0.12,630 0.068,631 -0.168,632 -0.036,633 -0.058,634 -0.068,635 -0.099,636 -0.09,637 0.046,638 0.017,639 -0.231,640 -0.01,641 -0.202,642 -0.041,643 -0.234,644 -0.14,645 0.01,646 -0.099,647 0.017,648 -0.081,649 0.041,650 -0.05,651 4.771,652 5.984,653 0.486,654 42.263,655 1.002,656 1.124,657 3.325,658 11.054,659 0.669,660 3.689,661 4.007,662 4.127,663 4.369,664 4.533,665 4.605,666 4.682,667 4.771,668 4.812,669 4.883,670 7.892,671 0.631,672 520.71,673 3.689,674 5.231,675 6.033,676 6.909,677 7.733,678 8.616,679 9.451,680 10.337,681 11.179,682 12.067,683 5.8,685 1,688 1,692 1,693 1,699 13,700 1,704 4,706 18,717 1,724 69,726 23,727 2,728 39,730 71,731 28,733 17,734 3,735 9,736 2,739 3,740 3,743 1,745 3,751 3,753 21,754 7,755 1,756 5,760 1,761 3,763 1,764 1,765 3,772 32,773 8,774 3,775 9,776 1,779 4,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 3,840 37,844 1,845 1,846 3,847 2,852 1,862 5.8,864 1,865 3,869 20.333,870 12.933,871 8.056,872 3.957,874 2.91,875 1.391,876 0.938,877 9.624,878 10.352,879 3.989,880 4.57,881 4.996,882 5.523,883 5.984,884 6.146,885 6.49,886 6.745,887 7.017,888 7.294,889 0.889,890 52,891 13.961,893 6.082,894 7.941,895 25.793,897 20.688,899 2.441,900 90.333,904 341.362,905 188.37,906 67.987,908 112.141,910 5.807,911 182.562,912 453.503,913 67.987,914 26.476,915 7.604,916 135.927,917 171.39,918 48.745,919 1.899,920 317.82,922 341.362,923 250.549,924 112.141,925 5.807,927 235.422,928 218.081,931 85.365,932 120.912,933 50.08,935 341.362,936 180.128,937 188.37,939 5.807,940 341.362,941 24.277,942 158.285,943 34.416,944 145.712,945 341.362,946 180.128,947 188.37,949 0.579,950 0.295,951 0.158,952 0.086,953 22,954 11,955 0.169,956 12,958 1,959 4.541,960 341.961,962 18,963 181.995,967 1,968 28.109,969 12.668,970 9.163,972 180.128,973 22.864,974 4.221,978 2.532,980 77.099,981 709.86,982 53,986 -3.854,987 36.888,989 2.001,990 4.56,991 0.175,994 69.163,995 77.564,996 0.263,997 0.609,998 0.769,999 0.864,1000 0.883,1001 0.883,1002 5.223,1003 1.852,1004 6.061,1005 5.184,1006 4.691,1007 5.257,1008 2.515,1009 6.882,1010 4.625,1011 6.461,1012 1.559,1013 7.633,1014 4.971,1015 4.511,1016 5.231,1017 2.331,1018 8.132,1019 4.376,1020 7.797,1021 1.396,1022 9.326,1023 3.719,1024 6.365,1025 7.488,1026 3.711,1027 11.092,1028 6.207,1029 9.174,1030 1.196,1031 11.095,1032 2.946,1033 6.967,1034 8.266,1035 4.145,1036 13.142,1037 6.724,1038 10.585,1039 1.166,1040 12.914,1041 2.745,1042 8.38,1043 10.07,1044 5.225,1045 15.745,1046 8.108,1047 12.023,1048 1,1049 14.768,1050 2.612,1051 9.315,1052 11.233,1053 5.899,1054 18.072,1055 8.955,1056 13.482,1057 1,1058 16.646,1059 2.136,1060 10.573,1061 12.862,1062 6.855,1063 20.586,1064 10.171,1065 3.395,1066 0.804,1067 18.543,1068 2.136,1069 11.652,1070 14.217,1071 7.628,1072 23.017,1073 11.165,1074 3.126,1075 12.51,1076 20.455,1077 1.923,1078 12.857,1079 15.78,1080 8.527,1081 25.513,1082 12.315,1083 3.026,1084 10.232,1085 22.377,1086 4.702,1087 13.998,1088 17.229,1089 9.343,1090 27.986,1091 13.374,1092 2.569,1093 10.183,1094 24.309,1095 3.988,1096 15.189,1097 18.77,1098 10.216,1099 30.484,1100 14.5,1101 2.232,1102 7.647,1103 26.248,1104 3.523,1105 16.358,1106 20.265,1107 11.051,1108 32.979,1109 15.588,1110 2.214,1111 6.5,1112 28.193,1113 3.365,1114 17.547,1115 21.801,1116 11.912,1117 35.483,1118 16.705,1119 2.029,1120 5.642,1121 30.144,1122 3.051,1123 18.73,1124 23.319,1125 12.755,1126 37.989,1127 17.807,1128 19063,1129 32873,1130 25.019,1131 46.148,1132 58.454,1133 58.992,1134 58.195,1135 57.523,1136 57.373,1137 76.398,1138 7.684,1139 162.73,1140 55.657,1141 5.757,1142 6.687,1143 7.11,1144 5.374,1145 5.395,1146 7.702,1147 3.925,1148 19.871,1149 5.098,1150 22.044,1151 1.499,1152 1.513,1153 1.492,1154 1.475,1155 1.471,1156 1.959,1157 0.197,1158 4.173,1159 1.427,1160 4.086,1161 4.084,1162 4.736,1163 4.062,1164 7.717,1165 3.986,1166 3.99,1167 4.002,1168 3.955,1169 3.941,1170 7.474,1171 3.925,1172 3.816,1173 3.862,1174 3.751,1175 3.716,1176 6.999,1177 3.718,1178 3.739,1179 3.794,1180 3.677,1181 3.607,1182 6.351,1183 3.602,1184 3.695,1185 3.74,1186 3.615,1187 3.549,1188 4.93,1189 3.544,1190 3.61,1191 3.614,1192 3.578,1193 3.523,1194 4.805,1195 3.454,1196 3.39,1197 3.417,1198 3.307,1199 3.227,1200 4.712,1201 3.237,1202 3.191,1203 3.246,1204 3.11,1205 2.967,1206 4.623,1207 2.984,1208 0.124,1209 0.12,1210 0.187,1211 0.111,1212 0.087,1213 4.855,1214 0.121,1215 4.687,1216 0.06,1217 7.308,1218 0.321,1219 4.313,1220 0.079,1221 3.395,1222 4.702,1223 2.341,1224 12.51,1225 3.098,1226 1.981,1227 1.968,1228 2.075,1229 2.067,1230 1.283,1231 2.081,1232 1.952,1233 1.948,1234 1.997,1235 2.022,1236 1.165,1237 2.051,1238 1.796,1239 1.758,1240 1.966,1241 1.936,1242 1.133,1243 1.945,1244 1.726,1245 1.667,1246 1.918,1247 1.878,1248 1.119,1249 1.894,1250 1.677,1251 1.627,1252 1.887,1253 1.854,1254 0.942,1255 1.868,1256 1.47,1257 1.484,1258 1.532,1259 1.651,1260 0.676,1261 1.682,1262 1.331,1263 1.299,1264 1.417,1265 1.536,1266 0.621,1267 1.528,1268 1.09,1269 1.036,1270 1.417,1271 1.334,1272 0.469,1273 1.333,1274 4.369,1276 5.687,1278 7.177,1280 8.746,1282 10.36,1284 5.632,1289 8.968,1290 1.19,1291 5.708,1296 -0.552,1300 43.507,1301 110.882,1302 256.773,1303 324.15,1304 364.204,1305 372.204,1306 372.204,1307 108.191,1308 7.442,1309 120.75,1310 129.13,1311 18,1312 12.607,1313 4.585,1314 3.907,1315 76.558,1316 174,1317 185,1318 0.21,1319 276.34,1320 489.17,1321 666.03,1322 16671,1324 26.891,1325 0.727,1326 0.594,1327 27.141,1328 21.995,1329 17.533,1330 0.45,1331 0.343,1332 11.918,1333 16.25,1334 11.372,1335 9.577,1336 18.354,1337 13.393,1338 16.927,1339 0.313,1340 0.205,1341 18.228,1342 11.083,1343 11.346,1344 0.186,1345 0.106,1346 12.45,1347 6.439,1348 9.658,1349 0.124,1350 0.058,1351 10.684,1352 4.507,1353 7.268,1354 0.079,1355 0.033,1356 8.161,1357 3.034,1358 0.329,1359 117.232,1360 0.2,1361 33.628,1362 0.576,1363 186,1364 558.173,1365 239.331,1366 567.233,1367 756.5,1368 520,1369 208,1370 518.953,1371 267.605,1372 566.9,1373 809.6,1374 528,1375 8.523} {0 CHEMBL21960,1 1.579,2 10.741,3 3.154,4 9.945,5 104.998,6 7.572,7 0.429,8 3.941,9 4.066,10 3.496,11 3.467,12 5.184,13 3.453,14 4.398,15 4.576,16 3.758,17 3.802,18 5.629,19 3.747,20 4.631,21 4.842,22 3.787,23 3.933,24 5.703,25 3.856,26 4.683,27 4.903,28 3.818,29 3.977,30 5.764,31 3.891,32 4.748,33 4.964,34 3.867,35 4.058,36 5.827,37 3.965,38 4.817,39 5.048,40 3.844,41 4.081,42 5.857,43 3.97,44 4.814,45 5.067,46 3.784,47 4.003,48 5.825,49 3.887,50 4.726,51 4.981,52 3.745,53 3.836,54 5.864,55 3.752,56 0.056,57 0.708,58 9.226,59 3.952,60 14.5,61 5.185,62 0.29,63 1.051,64 16.148,65 6.607,66 46.222,67 8.931,68 0.259,69 1.237,70 21.949,71 8.017,72 51.249,73 11.125,74 0.298,75 1.303,76 23.321,77 8.672,78 51.638,79 12.09,80 0.244,81 1.388,82 24.597,83 9.476,84 49.722,85 13.223,86 0.244,87 1.477,88 26.71,89 10,90 52.638,91 14.324,92 0.269,93 1.422,94 27.68,95 9.838,96 48.916,97 14.374,98 0.247,99 1.25,100 25.954,101 8.476,102 47.638,103 12.397,104 39,105 35,106 0.267,107 0.661,108 0.825,109 0.901,110 0.908,111 0.908,112 3.34,113 0.906,114 -3.64,115 -3.61,116 -3.44,118 41.7,120 3,123 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 12,169 1,172 3,175 4,176 1,177 3,180 14,181 1,186 3,191 3,194 14,195 1,197 1,198 5,201 1,203 5,206 13,207 1,210 6,215 5,218 12,219 1,222 7,227 5,229 8,230 2,234 8,237 1,239 6,242 4,243 3,247 7,248 1,252 6,255 1,256 2,258 2,259 6,262 2,264 4,265 1,268 1,270 1336,271 18.413,272 18.413,273 18.413,274 18.413,275 18.413,276 15.918,277 15.893,278 11.543,279 18.754,280 13.774,281 13.774,282 13.774,283 13.774,284 13.774,285 10.324,286 16.201,287 5.362,288 14.244,289 4.006,290 1.679,291 0.714,292 0.266,293 0.224,294 0.224,295 4.008,298 1,299 1,300 1,301 582,302 4.301,306 204.529,313 1.676,314 24.101,316 1,317 1,318 1,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.85,325 58.5,326 290,327 4.393,328 3.921,329 6.508,330 4.026,331 3.029,332 3.987,333 2.341,334 10.225,335 3.019,336 3.993,337 3.596,338 5.609,339 3.583,340 2.637,341 3.499,342 1.374,343 7.736,344 2.509,345 3.76,346 3.089,347 5.257,348 3.253,349 2.303,350 3.081,351 1.107,352 6.54,353 2.219,354 3.551,355 2.974,356 4.892,357 3.237,358 2.232,359 2.769,360 0.268,361 5.514,362 2.176,363 3.465,364 2.466,365 4.659,366 2.947,367 1.98,368 2.705,370 5.182,371 1.908,372 3.339,373 2.087,374 4.114,375 2.568,376 1.58,377 2.16,379 3.728,380 1.558,381 2.982,382 1.853,383 3.564,384 2.378,385 1.398,386 1.804,388 2.947,389 1.365,390 2.726,391 1.48,392 3.496,393 2.185,394 1.196,395 1.757,397 2.623,398 1.182,399 2.637,400 1.212,401 3.261,402 2,403 1.093,404 1.669,406 2.136,407 0.99,408 2.5,409 1.101,410 3.247,411 1.957,412 1,413 1.5,415 1.925,416 0.954,417 2.205,418 1,419 3.122,420 1.802,421 0.805,422 1.062,424 1.786,425 0.799,426 1.629,427 0.977,428 2.81,429 1.272,430 0.36,431 0.405,433 0.539,434 0.328,435 1.296,436 0.587,437 2.588,438 1.123,439 0.122,440 0.136,442 0.278,443 0.121,444 1.224,445 0.462,446 2.292,447 0.727,448 -0.201,449 -0.263,451 -0.387,452 -0.186,453 0.751,454 0.286,455 2,456 0.324,457 -0.675,458 -0.799,460 -1.313,461 -0.657,462 12.667,463 0.469,464 0.451,465 0.017,466 36.75,467 1.361,468 20,469 0.741,470 16.75,471 0.62,472 19.53,473 0.723,474 28.733,475 0.599,476 28.23,477 1.046,478 7.6,479 0.281,480 5.534,481 0.205,482 0.124,484 0.237,487 0.872,488 1.296,489 0.818,490 1.056,491 0.655,492 0.946,493 0.481,494 0.924,495 0.882,496 1.04,497 0.404,498 1.028,499 0.987,500 1.04,501 1.01,502 0.992,503 0.882,504 1.005,505 0.817,506 0.937,507 0.97,508 0.976,509 0.684,510 0.997,511 0.786,512 1.057,513 0.988,514 1.062,515 0.737,516 1.062,517 0.682,518 1.121,519 1.035,520 1.144,521 0.703,522 1.144,523 0.636,524 1.043,525 0.95,526 1.089,527 0.608,528 1.067,529 0.906,530 1.108,531 0.869,532 1.059,533 0.764,534 0.967,535 4.5,536 0.124,537 2,538 1.563,539 0.853,540 0.479,541 0.483,542 0.479,543 0.292,544 0.193,545 7904,546 26493,547 1.975,548 43.8,549 4,550 10,552 2,553 3,554 2,558 1.707,559 1.862,560 3.394,561 0.945,562 1,563 1,567 75.791,568 1.579,569 3.906,570 4.871,571 5.319,572 5.361,573 5.361,574 2.908,575 4.208,576 4.719,577 3.568,578 1252.48,579 8.231,580 16610.5,582 1,584 1,585 268.078,586 1.311,587 4.691,588 0.161,589 0.006,590 0.057,591 0.043,592 0.023,593 0.012,594 0.013,595 0.014,596 0.009,597 0.007,598 0.346,599 0.33,600 1,601 1.947,602 134.526,603 -0.104,604 -0.117,605 0.002,606 -0.004,607 -0.032,608 0.012,609 0.265,610 0.176,611 -0.006,612 -0.012,613 0.189,614 -0.049,615 -0.142,616 -0.024,617 -0.08,618 0.021,619 -0.116,620 -0.014,621 -0.043,622 0.073,623 -0.039,624 0.038,625 -0.016,626 0.003,627 -0.079,628 -0.056,629 -0.071,630 -0.028,631 -0.058,632 -0.047,633 -0.054,634 -0.126,635 -0.112,636 -0.125,637 -0.068,638 -0.127,639 0.025,640 -0.082,641 0.008,642 -0.089,643 0.004,644 -0.048,645 0.009,646 -0.173,647 0.133,648 -0.086,649 0.084,650 0.03,651 2.464,652 3.734,653 0.444,654 28.683,655 1.005,656 1.13,657 2.408,658 5.801,659 0.667,660 3.367,661 3.584,662 3.761,663 3.97,664 4.143,665 4.143,666 4.277,667 4.369,668 4.317,669 4.248,670 6.54,671 0.641,672 363.46,673 3.367,674 4.844,675 5.638,676 6.469,677 7.29,678 8.133,679 8.967,680 9.817,681 10.659,682 11.514,683 10.4,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 48,726 16,727 1,728 28,730 49,731 20,733 11,734 2,735 4,736 2,739 2,740 2,743 1,751 3,752 1,753 15,754 4,756 3,761 1,763 1,764 1,765 3,768 1,769 1,772 21,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 1,840 27,845 1,846 3,847 2,853 1,858 1,860 1,862 4.2,864 1,865 1,869 14.5,870 8.717,871 6.389,872 2.719,874 2.387,875 1.359,876 0.925,877 8.026,878 9.043,879 3.689,880 4.159,881 4.605,882 5.134,883 5.621,884 5.761,885 6.164,886 6.489,887 6.68,888 6.869,889 1,890 36,891 9.86,893 3.927,894 7.981,895 18.415,897 13.986,899 2.481,900 67,903 1,904 211.88,905 131.724,906 100.652,908 67.828,911 131.724,912 279.708,913 100.652,914 8.396,915 7.604,916 84.344,917 143.25,918 78.253,919 1.899,920 188.338,922 211.88,923 232.376,924 67.828,927 211.88,928 67.828,931 91.554,932 96.549,933 44.273,935 211.88,936 168.48,937 131.724,940 211.88,941 22.726,942 92.825,943 52.194,944 132.459,945 211.88,946 168.48,947 131.724,949 0.545,950 0.302,951 0.166,952 0.091,953 12,954 6,955 0.184,956 9,958 1,959 3.845,960 208.755,962 12,963 128.382,968 20.16,969 10.749,970 6.578,972 168.48,973 15.008,974 4.18,978 2.677,980 78.705,981 512.084,982 39,987 10.734,989 2.029,990 3.975,991 0.525,994 48.232,995 54.232,996 0.283,997 0.699,998 0.872,999 0.952,1000 0.96,1001 0.96,1002 4.875,1003 1.196,1004 5.565,1005 2.947,1006 4.263,1007 4.844,1008 2.745,1009 6.275,1010 4.206,1011 6.053,1012 1.093,1013 7.054,1014 2.623,1015 3.611,1016 4.35,1017 2.331,1018 7.018,1019 3.542,1020 7.323,1021 1,1022 8.648,1023 2.136,1024 5.74,1025 6.895,1026 3.836,1027 10.101,1028 5.641,1029 8.624,1030 0.805,1031 10.309,1032 1.925,1033 5.943,1034 7.227,1035 4.148,1036 11.754,1037 5.84,1038 9.954,1039 0.36,1040 12.016,1041 1.786,1042 7.495,1043 9.214,1044 5.275,1045 14.338,1046 7.372,1047 11.304,1048 0.122,1049 13.756,1050 0.539,1051 8.128,1052 9.976,1053 5.902,1054 16.375,1055 8.009,1056 12.672,1057 -0.201,1058 15.521,1059 0.278,1060 9.42,1061 11.689,1062 6.873,1063 18.788,1064 9.287,1065 3.029,1066 -0.675,1067 17.306,1068 -0.387,1069 10.279,1070 12.699,1071 7.63,1072 20.989,1073 10.154,1074 2.637,1075 10.225,1076 19.106,1077 -1.313,1078 11.452,1079 14.262,1080 8.533,1081 23.343,1082 11.32,1083 2.303,1084 7.736,1085 20.918,1086 3.987,1087 12.43,1088 15.42,1089 9.344,1090 25.613,1091 12.305,1092 2.232,1093 6.54,1094 22.741,1095 3.499,1096 13.553,1097 16.899,1098 10.218,1099 27.946,1100 13.426,1101 1.98,1102 5.514,1103 24.571,1104 3.081,1105 14.59,1106 18.145,1107 11.051,1108 30.246,1109 14.47,1110 1.58,1111 5.182,1112 26.409,1113 2.769,1114 15.694,1115 19.579,1116 11.913,1117 32.573,1118 15.574,1119 1.398,1120 3.728,1121 28.253,1122 2.705,1123 16.762,1124 20.878,1125 12.756,1126 34.886,1127 16.647,1128 8148,1129 15004,1130 18.375,1131 32.029,1132 40.934,1133 42.491,1134 41.254,1135 39.493,1136 39.472,1137 53.068,1138 10.181,1139 102.315,1140 38.254,1141 5.218,1142 5.921,1143 6.31,1144 5.062,1145 5.029,1146 6.987,1147 3.925,1148 17.028,1149 5.019,1150 14.121,1151 1.462,1152 1.518,1153 1.473,1154 1.41,1155 1.41,1156 1.895,1157 0.364,1158 3.654,1159 1.366,1160 4.009,1161 4.039,1162 3.957,1163 3.948,1164 7.474,1165 3.946,1166 3.812,1167 3.857,1168 3.751,1169 3.714,1170 6.826,1171 3.716,1172 3.695,1173 3.741,1174 3.582,1175 3.549,1176 6.351,1177 3.544,1178 3.6,1179 3.676,1180 3.539,1181 3.345,1182 4.928,1183 3.386,1184 3.379,1185 3.407,1186 3.292,1187 3.209,1188 4.803,1189 3.222,1190 3.203,1191 3.299,1192 3.116,1193 2.934,1194 4.617,1195 2.966,1196 3.049,1197 3.1,1198 2.92,1199 2.844,1200 4.237,1201 2.857,1202 2.962,1203 3.038,1204 2.799,1205 2.781,1206 3.877,1207 2.776,1208 0.157,1209 0.14,1210 0.232,1211 0.144,1212 0.108,1213 4.393,1214 0.142,1215 3.921,1216 0.084,1217 6.508,1218 0.365,1219 4.026,1220 0.108,1221 3.029,1222 3.987,1223 2.341,1224 10.225,1225 3.019,1226 1.977,1227 1.953,1228 2.075,1229 2.059,1230 1.283,1231 2.065,1232 1.792,1233 1.756,1234 1.925,1235 1.924,1236 1.125,1237 1.922,1238 1.678,1239 1.629,1240 1.887,1241 1.856,1242 0.943,1243 1.868,1244 1.488,1245 1.409,1246 1.688,1247 1.76,1248 0.679,1249 1.741,1250 1.323,1251 1.287,1252 1.528,1253 1.534,1254 0.646,1255 1.524,1256 1.123,1257 1.029,1258 1.367,1259 1.428,1260 0.366,1261 1.424,1262 0.987,1263 0.946,1264 1.219,1265 1.236,1266 0.3,1267 1.224,1268 0.936,1269 0.866,1270 1.153,1271 1.173,1272 0.127,1273 1.177,1274 4.043,1276 5.283,1278 6.715,1280 8.24,1282 9.817,1284 1.583,1289 8.821,1290 1.343,1291 5.532,1298 8.757,1299 1.835,1300 30.751,1301 75.791,1302 187.51,1303 233.814,1304 255.323,1305 257.323,1306 257.323,1307 56.723,1308 6.655,1309 110.4,1310 110.4,1311 12,1312 12.072,1313 4.087,1314 3.585,1315 57.988,1316 100,1317 112,1318 0.272,1319 197.593,1320 351.58,1321 473.887,1322 5765,1324 19.485,1325 0.722,1326 0.556,1327 19.485,1328 15.015,1329 13.135,1330 0.469,1331 0.302,1332 8.345,1333 12.646,1334 8.133,1335 6.84,1336 13.135,1337 8.454,1338 10.832,1339 0.309,1340 0.162,1341 10.832,1342 5.66,1343 8.194,1344 0.195,1345 0.089,1346 8.194,1347 3.75,1348 6.655,1349 0.128,1350 0.048,1351 6.655,1352 2.521,1353 5.227,1354 0.084,1355 0.027,1356 5.227,1357 1.665,1358 0.423,1359 82.236,1360 0.233,1361 26.025,1362 0.755,1363 126,1364 409.486,1365 137.894,1366 404.141,1367 533.23,1368 374,1369 140,1370 373.455,1371 149.485,1372 382.474,1373 538.94,1374 357,1375 6.602} {0 CHEMBL22016,1 1.392,2 15.389,3 5.368,4 28.816,5 134.205,6 7.123,7 0.316,8 4.321,9 4.417,10 3.819,11 3.818,12 5.442,13 3.799,14 4.881,15 5.042,16 4.173,17 4.19,18 6.004,19 4.151,20 5.163,21 5.347,22 4.314,23 4.335,24 6.305,25 4.294,26 5.2,27 5.372,28 4.302,29 4.359,30 6.415,31 4.303,32 5.24,33 5.442,34 4.174,35 4.361,36 6.293,37 4.272,38 5.246,39 5.461,40 4.086,41 4.305,42 6.316,43 4.196,44 5.194,45 5.434,46 3.932,47 4.243,48 6.175,49 4.104,50 5.143,51 5.404,52 3.818,53 4.169,54 6.044,55 4.014,56 0.097,57 0.881,58 15.158,59 7.359,60 19.306,61 8.964,62 0.378,63 1.417,64 28.945,65 11.922,66 62.137,67 15.282,68 0.838,69 1.743,70 40.744,71 14.567,72 107.306,73 18.804,74 1.06,75 1.802,76 42.248,77 15.051,78 128.772,79 19.336,80 0.741,81 1.873,82 44.183,83 15.819,84 106.472,85 20.836,86 1.097,87 1.83,88 45.62,89 15.52,90 131.856,91 20.823,92 0.914,93 1.749,94 43.411,95 15.036,96 119.487,97 20.755,98 0.6,99 1.666,100 41.159,101 14.455,102 99.861,103 20.408,104 82,105 52,106 0.22,107 0.526,108 0.747,109 0.831,110 0.849,111 0.872,112 3.615,113 0.98,114 -3.93,115 -3.88,116 -3.68,118 40,119 3,120 7,124 2,126 1,140 4,141 4,142 4,153 2,154 1,163 1,167 1,168 11,172 13,173 1,175 1,177 2,180 13,181 1,185 1,186 10,189 1,191 3,194 10,195 1,197 2,198 12,201 2,203 4,206 13,207 2,210 6,215 3,218 12,219 1,221 3,222 8,223 1,227 2,229 14,230 1,233 1,234 4,237 1,239 2,242 10,247 7,248 1,252 1,255 8,256 2,258 1,259 6,262 1,264 2,267 4,268 1,270 2450,271 23.819,272 23.819,273 23.819,274 23.819,275 23.819,276 21.819,277 27.331,278 14.22,279 24.128,280 18.679,281 18.679,282 18.679,283 18.679,284 18.679,285 15.466,286 26.938,287 6.608,288 19.22,289 4.737,290 2.796,291 1.393,292 0.861,293 0.747,294 0.604,295 4.295,300 1,301 1153,302 4.743,306 369.214,310 194.984,313 2.068,314 57.27,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 80,326 554,327 4.503,328 3.798,329 6.704,330 4.125,331 3.143,332 4.2,333 2.423,334 10.731,335 3.086,336 4.463,337 3.61,338 6.518,339 4.093,340 3.117,341 4.139,342 1.277,343 10.261,344 3.05,345 4.003,346 3.602,347 6.116,348 3.75,349 2.782,350 3.323,351 1.277,352 8.866,353 2.68,354 3.851,355 3.224,356 5.947,357 3.524,358 2.529,359 3.208,360 0.922,361 8.165,362 2.515,363 3.73,364 3.16,365 5.773,366 3.412,367 2.419,368 2.952,369 0.86,370 7.651,371 2.39,372 3.336,373 2.766,374 4.99,375 3.003,376 2.04,377 2.537,378 0.86,379 5.668,380 1.946,381 3.202,382 2.522,383 4.915,384 2.877,385 1.926,386 2.392,388 5.216,389 1.819,390 2.853,391 2.252,392 4.363,393 2.711,394 1.728,395 1.905,397 4.07,398 1.689,399 2.84,400 1.996,401 4.076,402 2.469,403 1.503,404 1.882,406 3.589,407 1.457,408 2.801,409 1.886,410 3.844,411 2.456,412 1.435,413 1.803,415 3.288,416 1.437,417 2.535,418 1.849,419 3.792,420 2.271,421 1.302,422 1.471,424 2.962,425 1.244,426 2.394,427 1.651,428 3.568,429 2.204,430 1.23,431 1.374,433 2.714,434 1.182,435 2.234,436 1.348,437 3.46,438 2.08,439 1.081,440 1.208,442 2.177,443 1.074,444 2.035,445 1.208,446 3.317,447 1.778,448 0.812,449 0.947,451 1.962,452 0.773,453 1.733,454 0.947,455 3.012,456 1.55,457 0.628,458 0.678,460 1.362,461 0.572,462 16.667,463 0.463,464 0.95,465 0.026,466 40.25,467 1.118,468 18.5,469 0.514,470 21.75,471 0.604,472 38.231,473 1.062,474 41.533,475 0.593,476 34.037,477 0.945,478 7.589,479 0.211,480 9.634,481 0.268,482 0.19,484 0.36,487 0.785,488 1.228,489 0.838,490 1.204,491 0.693,492 1.061,493 0.795,494 1.14,495 0.821,496 1.12,497 0.517,498 0.999,499 1.089,500 0.979,501 0.92,502 0.961,503 0.945,504 0.911,505 1.094,506 1.092,507 1.083,508 1.091,509 0.927,510 1.086,511 1.112,512 1.127,513 1.123,514 1.128,515 1.004,516 1.128,517 1.039,518 1.042,519 1.134,520 1.057,521 0.959,522 1.108,523 0.859,524 1.008,525 1.057,526 1.028,527 0.84,528 1.079,529 0.739,530 1.056,531 0.956,532 1.066,533 0.831,534 1.063,535 7,536 0.161,537 4.444,538 2.688,539 2.542,540 1.451,541 0.791,542 0.523,543 0.345,544 0.197,545 21166,546 61927,547 1.963,548 48.6,549 11,550 9,553 2,554 6,555 6,558 1.769,559 1.8,560 3.858,561 0.148,567 97.47,568 1.392,569 3.333,570 4.737,571 5.268,572 5.383,573 5.526,574 3.18,575 4.781,576 5.148,577 4.095,578 2579.89,579 9.011,580 45259.8,585 429.05,586 1.53,587 5.076,588 0.184,589 0.006,590 0.085,591 0.046,592 0.046,593 0.03,594 0.019,595 0.015,596 0.011,597 0.006,598 0.449,599 0.33,600 0.75,601 1.122,602 202.186,603 -0.053,604 -0.017,605 0.022,606 -0.008,607 -0.059,608 0.019,609 0.033,610 -0.044,611 0.099,612 -0.028,613 0.108,614 0.038,615 -0.024,616 0.046,617 0.065,618 0.054,619 -0.024,620 0.076,621 0.023,622 -0.06,623 -0.096,624 -0.072,625 0.016,626 -0.105,627 -0.14,628 -0.117,629 -0.151,630 -0.12,631 -0.117,632 -0.136,633 -0.02,634 -0.062,635 -0.143,636 -0.078,637 -0.054,638 -0.13,640 -0.04,641 -0.087,642 -0.051,643 -0.024,644 -0.083,645 -0.013,646 -0.1,647 -0.002,648 -0.092,649 -0.036,650 -0.052,651 2.673,652 5.122,653 0.444,654 41.281,655 1.009,656 1.125,657 2.698,658 7.281,659 0.637,660 3.664,661 3.97,662 4.22,663 4.443,664 4.663,665 4.745,666 4.787,667 4.796,668 4.804,669 4.543,670 9.36,671 0.61,672 498.62,673 3.664,674 5.198,675 6.038,676 6.909,677 7.773,678 8.651,679 9.524,680 10.406,681 11.283,682 12.167,699 4,704 8,706 12,710 2,721 1,722 3,724 70,726 15,727 2,728 38,730 72,731 28,733 12,734 8,735 4,736 2,739 3,740 4,745 3,748 3,751 8,753 15,754 13,756 3,761 3,765 3,772 34,773 8,774 2,775 8,784 0.667,785 8,802 3,806 1,818 1,830 1,832 2,836 3,840 36,845 2,846 9,848 3,850 1,862 11.4,864 2,865 3,867 3,869 20,870 13.317,871 8.139,872 4.621,874 2.435,875 1.312,876 0.902,877 10.058,878 10.242,879 3.871,880 4.407,881 4.913,882 5.413,883 5.912,884 6.145,885 6.314,886 6.358,887 6.461,888 6.157,889 0.9,890 58,891 13.469,893 5.743,894 8.019,895 25.239,897 20.391,899 2.519,900 90.667,904 376.675,905 130.957,908 193.801,911 130.957,912 570.476,914 26.476,915 26.926,916 37.905,917 171.978,918 61.472,920 376.675,922 376.675,923 130.957,924 193.801,927 306.049,928 264.428,931 53.402,932 77.554,935 376.675,936 193.801,937 130.957,940 376.675,941 66.576,942 64.381,944 193.801,945 376.675,946 193.801,947 130.957,949 0.575,950 0.335,951 0.18,952 0.101,953 21,954 12,955 0.181,956 13,957 1,958 1.125,959 4.6,960 317.74,961 0.125,962 16,963 186.117,968 27.854,969 13,970 7.167,972 193.801,973 6.685,978 3.677,980 85.367,981 701.433,982 47,987 35.103,991 -1.312,994 70.64,995 78.734,996 0.227,997 0.544,998 0.773,999 0.86,1000 0.878,1001 0.901,1002 5.118,1003 1.728,1004 6.028,1005 5.216,1006 4.654,1007 5.094,1008 3.077,1009 6.843,1010 4.601,1011 6.311,1012 1.503,1013 7.598,1014 4.07,1015 4.29,1016 5.017,1017 2.243,1018 7.794,1019 4.236,1020 7.619,1021 1.435,1022 9.273,1023 3.589,1024 6.248,1025 7.232,1026 4.081,1027 10.885,1028 6.15,1029 8.963,1030 1.302,1031 11.009,1032 3.288,1033 6.698,1034 7.966,1035 4.238,1036 12.642,1037 6.597,1038 10.342,1039 1.23,1040 12.782,1041 2.962,1042 8.144,1043 9.711,1044 5.517,1045 15.256,1046 8.007,1047 11.743,1048 1.081,1049 14.58,1050 2.714,1051 8.962,1052 10.8,1053 6.111,1054 17.338,1055 8.815,1056 13.163,1057 0.812,1058 16.396,1059 2.177,1060 10.208,1061 12.368,1062 7.161,1063 19.783,1064 10.035,1065 3.143,1066 0.628,1067 18.223,1068 1.962,1069 11.195,1070 13.624,1071 7.928,1072 22.008,1073 11.006,1074 3.117,1075 10.731,1076 20.06,1077 1.362,1078 12.364,1079 15.116,1080 8.885,1081 24.391,1082 12.152,1083 2.782,1084 10.261,1085 21.905,1086 4.2,1087 13.428,1088 16.454,1089 9.719,1090 26.682,1091 13.198,1092 2.529,1093 8.866,1094 23.755,1095 4.139,1096 14.569,1097 17.912,1098 10.637,1099 29.043,1100 14.318,1101 2.419,1102 8.165,1103 25.61,1104 3.323,1105 15.669,1106 19.293,1107 11.499,1108 31.365,1109 15.398,1110 2.04,1111 7.651,1112 27.469,1113 3.208,1114 16.801,1115 20.735,1116 12.399,1117 33.72,1118 16.51,1119 1.926,1120 5.668,1121 29.332,1122 2.952,1123 17.918,1124 22.138,1125 13.274,1126 36.059,1127 17.608,1128 20853,1129 35857,1130 24.274,1131 44.58,1132 56.162,1133 58.224,1134 58.688,1135 55.776,1136 55.834,1137 68.563,1138 15.24,1139 158.36,1140 54.282,1141 5.452,1142 5.798,1143 6.565,1144 5.223,1145 5.143,1146 7.2,1147 4.104,1148 18.051,1149 5.086,1150 24.031,1151 1.478,1152 1.532,1153 1.544,1154 1.468,1155 1.469,1156 1.804,1157 0.401,1158 4.167,1159 1.428,1160 4.028,1161 4.041,1162 3.98,1163 3.938,1164 7.474,1165 3.945,1166 3.97,1167 3.981,1168 3.928,1169 3.891,1170 7.43,1171 3.897,1172 3.714,1173 3.768,1174 3.599,1175 3.568,1176 7.426,1177 3.557,1178 3.647,1179 3.669,1180 3.534,1181 3.485,1182 6.467,1183 3.496,1184 3.566,1185 3.629,1186 3.418,1187 3.424,1188 6.351,1189 3.409,1190 3.424,1191 3.468,1192 3.295,1193 3.224,1194 4.872,1195 3.23,1196 3.383,1197 3.416,1198 3.273,1199 3.188,1200 4.753,1201 3.2,1202 3.306,1203 3.357,1204 3.158,1205 3.101,1206 4.508,1207 3.102,1208 0.119,1209 0.1,1210 0.176,1211 0.109,1212 0.083,1213 4.503,1214 0.111,1215 3.798,1216 0.064,1217 6.704,1218 0.282,1219 4.125,1220 0.081,1221 3.143,1222 4.2,1223 2.423,1224 10.731,1225 3.086,1226 1.96,1227 1.948,1228 2.06,1229 2.072,1230 1.329,1231 2.066,1232 1.935,1233 1.922,1234 2.042,1235 2.039,1236 1.311,1237 2.037,1238 1.713,1239 1.656,1240 1.965,1241 1.891,1242 1.27,1243 1.917,1244 1.594,1245 1.565,1246 1.846,1247 1.785,1248 0.999,1249 1.796,1250 1.58,1251 1.517,1252 1.784,1253 1.763,1254 0.986,1255 1.778,1256 1.38,1257 1.331,1258 1.659,1259 1.622,1260 0.89,1261 1.631,1262 1.329,1263 1.283,1264 1.614,1265 1.557,1266 0.688,1267 1.571,1268 1.277,1269 1.218,1270 1.568,1271 1.511,1272 0.673,1273 1.524,1274 4.344,1276 5.652,1278 7.157,1280 8.764,1282 10.428,1284 4.903,1289 19.686,1290 5.475,1292 17.347,1294 -0.896,1300 42.674,1301 97.47,1302 233.324,1303 331.566,1304 368.785,1305 376.785,1306 386.785,1307 124.491,1308 7.807,1309 119.36,1310 119.36,1311 18,1312 12.702,1313 4,1314 3.322,1315 74.388,1316 211,1317 156,1318 0.17,1319 262.799,1320 480.64,1321 632.99,1322 31341,1324 26.242,1325 0.729,1326 0.586,1327 26.242,1328 21.095,1329 17.222,1330 0.453,1331 0.327,1332 12.242,1333 16.483,1334 11.906,1335 9.877,1336 17.222,1337 12.412,1338 15.379,1339 0.296,1340 0.173,1341 15.379,1342 8.998,1343 12.221,1344 0.182,1345 0.092,1346 12.221,1347 6.185,1348 9.926,1349 0.118,1350 0.051,1351 9.926,1352 4.252,1353 7.848,1354 0.075,1355 0.028,1356 7.848,1357 2.931,1358 0.28,1359 108.854,1360 0.203,1361 33.779,1362 0.432,1363 180,1364 612.713,1365 202.033,1366 565.853,1367 745.06,1368 526,1369 209,1370 521.242,1371 230.151,1372 516.466,1373 757.09,1374 487,1375 5.222} {0 CHEMBL22023,1 1.592,2 12.406,3 3.766,4 14.18,5 122.616,6 7.276,7 0.364,8 4.16,9 4.289,10 3.679,11 3.639,12 5.362,13 3.623,14 4.652,15 4.841,16 3.975,17 3.98,18 5.823,19 3.932,20 4.92,21 5.143,22 3.976,23 4.1,24 5.983,25 4.027,26 4.982,27 5.246,28 4.048,29 4.068,30 6.015,31 4.004,32 4.898,33 5.1,34 4.086,35 4.107,36 6.042,37 4.078,38 5.006,39 5.229,40 4.11,41 4.225,42 6.156,43 4.142,44 4.989,45 5.217,46 3.985,47 4.217,48 6.11,49 4.105,50 4.988,51 5.253,52 3.898,53 4.157,54 5.913,55 4.022,56 0.112,57 0.875,58 12.533,59 5.071,60 18.92,61 6.956,62 0.342,63 1.304,64 22.388,65 8.364,66 55.23,67 11.768,68 0.432,69 1.57,70 30.923,71 9.251,72 66.726,73 13.931,74 0.497,75 1.565,76 34.657,77 10.114,78 75.831,79 15.523,80 0.62,81 1.566,82 30.297,83 8.188,84 66.397,85 12.043,86 0.613,87 1.701,88 33.744,89 11.327,90 80.985,91 16.673,92 0.521,93 1.72,94 32.649,95 11.173,96 86.371,97 16.487,98 0.385,99 1.619,100 33.682,101 11.641,102 53.458,103 17.761,104 66,105 43,106 0.258,107 0.628,108 0.782,109 0.84,110 0.846,111 0.846,112 3.502,113 0.93,114 -4.16,115 -4.1,116 -3.88,118 38.3,119 3,120 3,124 1,129 1,140 6,141 2,142 1,143 2,153 1,154 2,155 1,162 1,163 1,167 1,168 8,169 1,172 9,175 4,176 1,177 3,180 10,181 1,186 9,191 3,194 5,195 1,197 2,198 11,201 1,203 10,206 4,209 1,210 8,211 1,213 1,215 3,218 6,221 1,222 8,223 1,225 2,227 2,229 13,233 2,234 5,237 3,239 2,242 14,246 1,247 3,250 1,252 2,255 9,256 2,258 2,259 8,262 1,264 4,267 6,268 3,270 2138,271 21.06,272 21.06,273 21.06,274 21.06,275 21.06,276 18.805,277 23.269,278 13.141,279 21.493,280 16.351,281 16.351,282 16.351,283 16.351,284 16.351,285 12.948,286 30.965,287 6.267,288 16.997,289 4.315,290 2.029,291 1.08,292 0.721,293 0.688,294 0.688,295 4.169,299 1,300 1,301 793,302 5.148,306 252.618,313 2.207,314 32.01,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 70,326 397,327 4.394,328 4,329 6.509,330 4.104,331 3.141,332 3.988,333 2.373,334 10.235,335 3.025,336 4.256,337 3.922,338 6.456,339 4.011,340 3.026,341 3.533,342 2.341,343 10.191,344 2.98,345 3.922,346 3.596,347 5.58,348 3.545,349 2.586,350 3.375,351 1.374,352 7.657,353 2.487,354 3.635,355 3.376,356 5.224,357 3.24,358 2.24,359 2.864,360 1.107,361 6.465,362 2.22,363 3.55,364 2.98,365 4.868,366 3.191,367 2.235,368 2.71,369 0.268,370 5.481,371 2.124,372 3.468,373 2.783,374 4.659,375 2.918,376 1.964,377 2.581,379 5.184,380 1.865,381 3.253,382 2.398,383 4.127,384 2.683,385 1.731,386 2.156,388 3.825,389 1.637,390 2.974,391 2.036,392 3.711,393 2.457,394 1.488,395 1.835,397 3.268,398 1.439,399 2.789,400 1.745,401 3.504,402 2.201,403 1.221,404 1.753,406 2.68,407 1.195,408 2.662,409 1.512,410 3.434,411 2.134,412 1.151,413 1.668,415 2.505,416 1.125,417 2.503,418 1.215,419 3.247,420 1.956,421 1.023,422 1.5,424 2.136,425 0.953,426 2.5,427 1.147,428 3.215,429 1.933,430 1,431 1.441,433 1.758,434 0.93,435 1.933,436 1,437 3.065,438 1.629,439 0.675,440 0.817,442 1.558,443 0.637,444 1.317,445 0.816,446 3,447 1.095,448 0.097,449 0.105,451 0.215,452 0.096,453 1.243,454 0.669,455 2.487,456 0.88,457 -0.057,458 -0.071,460 -0.162,461 -0.054,462 14.9,463 0.466,464 0.805,465 0.025,466 40,467 1.25,468 20,469 0.625,470 20,471 0.625,472 28.789,473 0.9,474 35.5,475 0.592,476 32.919,477 1.029,478 7.909,479 0.247,480 7.372,481 0.23,482 0.172,483 0.034,484 0.201,487 0.795,488 1.377,489 0.841,490 1.173,491 0.673,492 1.039,493 0.621,494 1.129,495 0.817,496 1.097,497 0.401,498 1.013,499 1.194,500 1.174,501 1.151,502 1.076,503 0.976,504 1.091,505 0.934,506 0.978,507 0.736,508 0.823,509 0.649,510 0.756,511 1.609,512 0.918,513 1.217,514 0.825,515 1.034,516 0.915,517 0.765,518 1.092,519 0.936,520 1.023,521 0.762,522 1.013,523 0.733,524 1.046,525 1.164,526 1.158,527 1.028,528 1.22,529 0.441,530 1.059,531 0.88,532 1.081,533 0.438,534 1.057,535 7,536 0.264,537 2.222,538 2.063,539 1.093,540 0.924,541 0.647,542 0.47,543 0.353,544 0.336,545 12957,546 40104,547 1.936,548 46.7,549 2,550 8,552 2,553 3,554 2,555 11,558 1.749,559 1.803,560 3.545,561 0.884,563 1,567 95.501,568 1.592,569 3.878,570 4.827,571 5.185,572 5.219,573 5.219,574 3.031,575 4.438,576 4.964,577 3.814,578 1891.94,579 8.715,580 28979,582 1,585 354.413,586 1.508,587 4.915,588 0.212,589 0.007,590 0.052,591 0.05,592 0.024,593 0.02,594 0.013,595 0.011,596 0.009,597 0.009,598 0.408,599 0.33,600 0.88,601 2.218,602 169.973,603 0.009,604 -0.123,605 0.022,606 -0.036,607 -0.022,608 -0.012,609 0.198,610 -0.01,611 0.097,612 -0.026,613 0.221,614 0.005,615 -0.214,616 -0.108,617 -0.187,618 -0.096,619 -0.18,620 -0.127,621 0.032,622 -0.027,623 0.267,624 0.133,625 0.072,626 0.222,627 -0.316,628 0.209,629 -0.222,630 0.113,631 -0.211,632 -0.007,633 0.114,634 -0.067,635 0.014,636 0.009,637 0.04,638 -0.004,639 -0.009,640 0.035,641 -0.239,642 -0.139,643 -0.137,644 -0.22,645 0.115,646 -0.083,647 0.053,648 -0.052,649 0.056,650 -0.017,651 2.492,652 3.624,653 0.375,654 39.488,655 1.005,656 1.136,657 2.926,658 8.56,659 0.646,660 3.526,661 3.784,662 3.871,663 4.111,664 4.263,665 4.304,666 4.369,667 4.477,668 4.511,669 4.554,670 7.686,671 0.618,672 436.57,673 3.526,674 5.03,675 5.808,676 6.658,677 7.461,678 8.321,679 9.137,680 10.002,681 10.828,682 11.696,683 10,685 1,688 1,692 3,693 1,699 8,700 1,704 3,706 12,709 1,717 1,724 60,726 16,727 1,728 33,730 61,731 23,733 11,734 2,735 4,736 1,739 2,740 2,743 1,745 3,751 3,752 1,753 14,754 8,755 1,756 3,761 1,764 2,765 3,769 1,772 28,773 9,774 3,775 9,779 6,784 1,785 3,795 1,802 2,818 1,826 1,830 1,832 2,836 3,840 32,845 1,846 4,847 2,848 1,852 1,853 1,858 1,860 1,862 5,864 1,865 1,867 1,869 17.75,870 11.5,871 7.264,872 3.486,874 2.443,875 1.351,876 0.894,877 9.814,878 9.403,879 3.807,880 4.277,881 4.682,882 5.214,883 5.671,884 5.869,885 6.214,886 6.548,887 6.786,888 7.04,889 1,890 41,891 11.727,893 4.69,894 7.945,895 21.945,897 16.725,899 2.445,900 78.25,903 1,904 294.278,905 144.49,906 120.052,908 79.047,911 144.49,912 373.325,913 120.052,914 26.476,915 12.196,916 74.868,917 146.006,918 105.686,919 1.899,920 270.735,922 294.278,923 264.542,924 79.047,927 164.795,928 208.529,931 142.022,932 87.724,933 34.796,935 294.278,936 199.099,937 144.49,940 294.278,941 26.89,942 101.428,943 52.194,944 163.077,945 294.278,946 199.099,947 144.49,949 0.559,950 0.279,951 0.156,952 0.086,953 15,954 8,955 0.197,956 12,958 1,959 4.242,960 262.61,962 12,963 155.245,968 25.005,969 12.56,970 9.62,972 199.099,973 14.533,974 4.161,978 2.265,980 78.705,981 637.867,982 44,987 10.624,990 8.782,991 0.1,994 60.312,995 68.185,996 0.269,997 0.656,998 0.817,999 0.878,1000 0.884,1001 0.884,1002 5.024,1003 1.488,1004 5.79,1005 3.825,1006 4.466,1007 4.963,1008 3.289,1009 6.538,1010 4.395,1011 6.22,1012 1.221,1013 7.307,1014 3.268,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.028,1020 7.506,1021 1.151,1022 8.937,1023 2.68,1024 6.038,1025 7.01,1026 4.698,1027 10.504,1028 5.907,1029 8.824,1030 1.023,1031 10.636,1032 2.505,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.335,1038 10.169,1039 1,1040 12.38,1041 2.136,1042 7.92,1043 9.33,1044 6.315,1045 14.861,1046 7.737,1047 11.535,1048 0.675,1049 14.156,1050 1.758,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.524,1056 12.917,1057 0.097,1058 15.952,1059 1.558,1060 9.973,1061 11.802,1062 7.999,1063 19.385,1064 9.738,1065 3.141,1066 -0.057,1067 17.765,1068 0.215,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.693,1074 3.026,1075 10.235,1076 19.589,1077 -0.162,1078 12.121,1079 14.366,1080 9.706,1081 23.978,1082 11.832,1083 2.586,1084 10.191,1085 21.422,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.864,1092 2.24,1093 7.657,1094 23.262,1095 3.533,1096 14.32,1097 16.991,1098 11.421,1099 28.601,1100 13.974,1101 2.235,1102 6.465,1103 25.108,1104 3.375,1105 15.416,1106 18.236,1107 11.051,1108 30.911,1109 15.041,1110 1.964,1111 5.481,1112 26.958,1113 2.864,1114 16.546,1115 19.657,1116 13.139,1117 33.237,1118 16.142,1119 1.731,1120 5.184,1121 28.811,1122 2.71,1123 17.659,1124 20.952,1125 12.756,1126 35.554,1127 17.225,1128 13322,1129 23584,1130 21.148,1131 38.773,1132 49.01,1133 52.463,1134 48.225,1135 47.212,1136 47.155,1137 60.654,1138 14.927,1139 126.314,1140 45.428,1141 5.282,1142 6,1143 6.333,1144 5.14,1145 5.141,1146 6.988,1147 4.746,1148 17.041,1149 5.025,1150 19.31,1151 1.485,1152 1.59,1153 1.461,1154 1.431,1155 1.429,1156 1.838,1157 0.452,1158 3.828,1159 1.377,1160 3.996,1161 4.03,1162 3.949,1163 3.914,1164 7.474,1165 3.917,1166 3.82,1167 3.872,1168 3.759,1169 3.709,1170 6.826,1171 3.713,1172 3.748,1173 3.802,1174 3.652,1175 3.605,1176 6.351,1177 3.605,1178 3.727,1179 3.775,1180 3.601,1181 3.567,1182 5.012,1183 3.563,1184 3.45,1185 3.527,1186 3.364,1187 3.2,1188 4.813,1189 3.237,1190 3.411,1191 3.443,1192 3.324,1193 3.142,1194 4.761,1195 3.176,1196 3.199,1197 3.247,1198 3.124,1199 3.025,1200 4.593,1201 3.04,1202 3.039,1203 3.116,1204 2.959,1205 2.824,1206 4.138,1207 2.846,1208 0.133,1209 0.121,1210 0.197,1211 0.124,1212 0.095,1213 4.394,1214 0.121,1215 4,1216 0.072,1217 6.509,1218 0.31,1219 4.104,1220 0.092,1221 3.141,1222 3.988,1223 2.373,1224 10.235,1225 3.025,1226 1.947,1227 1.921,1228 2.037,1229 2.049,1230 1.276,1231 2.046,1232 1.791,1233 1.752,1234 1.965,1235 1.949,1236 1.147,1237 1.95,1238 1.727,1239 1.666,1240 1.948,1241 1.894,1242 1.125,1243 1.911,1244 1.704,1245 1.652,1246 1.9,1247 1.879,1248 0.934,1249 1.893,1250 1.342,1251 1.279,1252 1.555,1253 1.63,1254 0.77,1255 1.597,1256 1.299,1257 1.248,1258 1.46,1259 1.597,1260 0.469,1261 1.569,1262 1.132,1263 1.088,1264 1.417,1265 1.348,1266 0.469,1267 1.319,1268 0.96,1269 0.891,1270 1.417,1271 1.239,1272 0.405,1273 1.308,1274 4.205,1276 5.476,1278 6.917,1280 8.441,1282 10.014,1284 5.807,1289 8.728,1290 1.521,1291 5.695,1292 5.48,1296 -0.374,1298 9.035,1299 1.893,1300 37.068,1301 95.501,1302 232.662,1303 289.619,1304 311.129,1305 313.129,1306 313.129,1307 87.688,1308 6.96,1309 131.99,1310 131.99,1311 12,1312 12.25,1313 4.087,1314 3.585,1315 76.499,1316 141,1317 170,1318 0.253,1319 237.161,1320 423.27,1321 570.432,1322 8800,1324 23.399,1325 0.731,1326 0.578,1327 23.399,1328 18.5,1329 15.281,1330 0.463,1331 0.31,1332 10.081,1333 14.602,1334 9.727,1335 8.22,1336 15.281,1337 10.229,1338 13.895,1339 0.323,1340 0.185,1341 13.895,1342 7.94,1343 9.018,1344 0.192,1345 0.085,1346 9.018,1347 3.987,1348 7.689,1349 0.128,1350 0.045,1351 7.689,1352 2.684,1353 5.809,1354 0.083,1355 0.023,1356 5.809,1357 1.641,1358 0.401,1359 96.392,1360 0.217,1361 30.22,1362 0.687,1363 152,1364 498.867,1365 169.492,1366 484.852,1367 640.65,1368 448,1369 166,1370 459.717,1371 181.139,1372 464.853,1373 652.16,1374 432,1375 8.301} {0 CHEMBL22363,1 1.552,2 11.742,3 3.793,4 14.383,5 121.586,6 7.059,7 0.375,8 4.153,9 4.289,10 3.638,11 3.644,12 5.317,13 3.618,14 4.646,15 4.836,16 3.935,17 3.997,18 5.862,19 3.928,20 4.909,21 5.138,22 3.927,23 4.125,24 5.934,25 4.029,26 4.963,27 5.225,28 3.985,29 4.137,30 5.976,31 4.039,32 4.915,33 5.123,34 4.066,35 4.203,36 5.984,37 4.128,38 5.077,39 5.309,40 4.092,41 4.301,42 6.103,43 4.202,44 5.153,45 5.406,46 4.092,47 4.307,48 6.183,49 4.192,50 5.115,51 5.366,52 3.998,53 4.196,54 6.235,55 4.088,56 0.063,57 0.87,58 12.989,59 5.13,60 15.951,61 7.18,62 0.394,63 1.297,64 22.657,65 8.739,66 64.403,67 12.359,68 0.348,69 1.544,70 30.891,71 10.259,72 65.041,73 15.192,74 0.496,75 1.593,76 33.4,77 10.761,78 71.854,79 16.355,80 0.285,81 1.648,82 30.245,83 10.327,84 52.958,85 15.248,86 0.371,87 1.859,88 36.307,89 11.98,90 64.423,91 18.011,92 0.357,93 1.886,94 39.874,95 13.552,96 69.374,97 20.227,98 0.431,99 1.736,100 39.115,101 12.101,102 91.34,103 18.162,104 67,105 41,106 0.252,107 0.628,108 0.817,109 0.881,110 0.886,111 0.886,112 3.471,113 0.952,114 -3.55,115 -3.52,116 -3.36,118 38.3,119 2,120 3,121 1,124 1,133 1,134 1,140 6,141 2,142 1,143 2,154 1,155 2,159 1,160 1,161 1,163 1,167 1,168 14,169 1,172 4,174 1,175 5,176 2,177 3,179 1,180 15,181 1,186 5,191 3,194 14,195 1,197 1,198 5,200 1,201 2,202 1,203 7,205 1,206 13,207 1,210 6,215 9,218 12,219 1,222 8,227 8,229 10,230 2,232 3,234 10,237 1,239 10,242 10,243 3,245 4,247 7,248 1,252 8,255 7,256 2,257 2,258 2,259 6,262 2,264 6,265 1,267 6,268 1,269 2,270 1867,271 20.397,272 20.397,273 20.397,274 20.397,275 20.397,276 18.065,277 17.668,278 12.697,279 20.64,280 15.864,281 15.864,282 15.864,283 15.864,284 15.864,285 12.449,286 18.749,287 6.123,288 16.256,289 4.355,290 2.044,291 0.884,292 0.492,293 0.458,294 0.458,295 4.139,299 1,300 1,301 728,302 4.95,306 241.557,313 1.831,314 31.175,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 67.5,326 364,327 4.393,328 3.596,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.014,337 3.512,338 5.645,339 3.624,340 2.684,341 3.503,342 1.645,343 7.869,344 2.533,345 3.799,346 3.074,347 5.322,348 3.37,349 2.397,350 3.153,351 1.221,352 6.792,353 2.32,354 3.552,355 2.954,356 4.969,357 3.237,358 2.232,359 2.806,360 0.269,361 5.72,362 2.219,363 3.473,364 2.488,365 4.659,366 3.172,367 2.182,368 2.707,369 0.062,370 5.183,371 2.154,372 3.37,373 2.184,374 4.646,375 3.036,376 2.055,377 2.513,379 5.141,380 2.009,381 3.108,382 2.064,383 4.345,384 2.764,385 1.789,386 2.187,388 4.357,389 1.73,390 2.964,391 1.847,392 4.104,393 2.545,394 1.557,395 2.057,397 3.707,398 1.533,399 2.726,400 1.479,401 3.564,402 2.374,403 1.396,404 1.781,406 2.946,407 1.362,408 2.637,409 1.211,410 3.494,411 2.178,412 1.184,413 1.67,415 2.617,416 1.176,417 2.5,418 1.101,419 3.259,420 1.957,421 1,422 1.5,424 2.136,425 0.954,426 2.205,427 1,428 3.247,429 1.802,430 0.805,431 1.062,433 1.924,434 0.799,435 1.644,436 0.946,437 2.957,438 1.458,439 0.527,440 0.556,442 1.173,443 0.489,444 1.295,445 0.588,446 2.64,447 1.123,448 0.122,449 0.136,451 0.278,452 0.121,453 1.135,454 0.52,455 2.584,456 0.852,457 -0.096,458 -0.11,460 -0.259,461 -0.09,462 14.5,463 0.468,464 0.74,465 0.024,466 37.5,467 1.21,468 18.5,469 0.597,470 19,471 0.613,472 27.709,473 0.894,474 34.7,475 0.578,476 31.387,477 1.012,478 7.544,479 0.243,480 7.302,481 0.236,482 0.166,484 0.276,487 0.859,488 1.331,489 0.893,490 1.115,491 0.757,492 1.017,493 0.393,494 1.032,495 0.865,496 1.105,497 0.376,498 1.072,499 1.024,500 1.113,501 1.063,502 1.038,503 0.967,504 1.053,505 0.694,506 0.85,507 0.816,508 0.806,509 0.597,510 0.822,511 0.948,512 1.197,513 1.043,514 1.085,515 0.798,516 1.072,517 0.908,518 1.103,519 1.086,520 1.074,521 0.756,522 1.09,523 0.751,524 1.087,525 0.933,526 1.092,527 0.743,528 1.046,529 1.112,530 1.11,531 1.058,532 1.1,533 1.132,534 1.071,535 6.5,536 0.223,537 2.222,538 1.813,539 1.093,540 0.701,541 0.769,542 0.549,543 0.39,544 0.304,545 11540,546 34478,547 1.942,548 48.3,549 10,550 9,552 2,553 5,554 2,555 1,558 1.743,559 1.806,560 3.521,561 2.381,563 1,567 93.126,568 1.552,569 3.863,570 5.023,571 5.415,572 5.448,573 5.448,574 2.967,575 4.478,576 4.921,577 3.719,578 1729.56,579 8.635,580 25595.3,582 1,585 354.413,586 1.438,587 4.874,588 0.203,589 0.007,590 0.054,591 0.045,592 0.025,593 0.015,594 0.016,595 0.012,596 0.01,597 0.009,598 0.397,599 0.17,600 0.88,601 2.036,602 162.131,603 -0.106,604 -0.054,605 -0.004,606 0.025,607 -0.099,608 0.029,609 0.337,610 0.12,611 0.049,612 -0.023,613 0.269,614 -0.04,615 -0.148,616 -0.064,617 -0.108,618 -0.02,619 -0.137,620 -0.053,621 0.081,622 0.16,623 0.147,624 0.178,625 0.049,626 0.173,627 -0.137,628 -0.076,629 -0.108,630 -0.044,631 -0.09,632 -0.066,633 -0.134,634 -0.022,635 -0.142,636 -0.062,637 -0.082,638 -0.092,640 -0.092,641 0.017,642 -0.078,643 0.006,644 -0.033,645 -0.107,646 -0.135,647 -0.071,648 -0.126,649 -0.072,650 -0.094,651 2.474,652 4.332,653 0.387,654 35.861,655 1.002,656 1.135,657 2.317,658 5.367,659 0.642,660 3.497,661 3.738,662 3.85,663 4.078,664 4.263,665 4.29,666 4.431,667 4.489,668 4.489,669 4.5,670 7.253,671 0.61,672 423.57,673 3.497,674 4.99,675 5.771,676 6.608,677 7.418,678 8.264,679 9.089,680 9.941,681 10.777,682 11.632,683 8.3,688 1,690 2,692 1,693 1,699 8,700 1,704 3,706 12,717 1,724 60,726 16,727 1,728 32,730 61,731 23,733 11,734 2,735 4,736 2,739 2,740 2,743 1,744 1,745 2,751 3,753 16,754 7,755 1,756 4,761 2,763 1,764 1,765 4,769 1,772 29,773 8,774 5,775 8,779 5,784 1,785 3,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 31,841 1,845 1,846 4,847 2,850 1,862 5,864 1,865 2,869 17.167,870 10.85,871 7.056,872 3.528,874 2.412,875 1.349,876 0.921,877 9.883,878 9.331,879 3.761,880 4.248,881 4.644,882 5.18,883 5.664,884 5.822,885 6.232,886 6.542,887 6.764,888 6.996,889 0.875,890 40,891 11.405,893 4.593,894 7.952,895 21.416,897 16.493,899 2.452,900 76,903 1,904 282.506,905 131.187,906 102.49,908 92.973,911 131.187,912 375.48,913 102.49,914 17.65,915 60.617,916 66.334,917 152.222,918 47.194,919 6.175,920 258.964,922 282.506,923 233.676,924 92.973,927 270.735,928 104.744,931 113.148,932 76.256,933 44.273,935 282.506,936 195.463,937 131.187,940 282.506,941 29.108,942 102.079,943 36.022,944 159.441,945 282.506,946 195.463,947 131.187,949 0.559,950 0.281,951 0.153,952 0.089,953 14,954 8,955 0.18,956 11,958 1,959 4.141,960 252.853,962 12,963 151.58,968 24.258,969 12.63,970 9.118,972 195.463,973 14.948,974 4.201,978 2.587,980 111.602,981 609.156,982 42,987 22.146,989 2.022,990 4.382,991 -0.268,994 60.094,995 68.102,996 0.263,997 0.654,998 0.85,999 0.917,1000 0.922,1001 0.922,1002 4.956,1003 1.557,1004 5.72,1005 4.357,1006 4.419,1007 4.934,1008 2.824,1009 6.422,1010 4.372,1011 6.128,1012 1.396,1013 7.207,1014 3.707,1015 3.892,1016 4.559,1017 2.533,1018 7.14,1019 3.837,1020 7.394,1021 1.184,1022 8.793,1023 2.946,1024 5.894,1025 6.962,1026 3.925,1027 10.198,1028 5.803,1029 8.689,1030 1,1031 10.441,1032 2.617,1033 6.133,1034 7.337,1035 4.276,1036 11.81,1037 6.039,1038 10.013,1039 0.805,1040 12.132,1041 2.136,1042 7.632,1043 9.263,1044 5.343,1045 14.393,1046 7.508,1047 11.358,1048 0.527,1049 13.856,1050 1.924,1051 8.263,1052 10.036,1053 5.972,1054 16.407,1055 8.142,1056 12.721,1057 0.122,1058 15.607,1059 1.173,1060 9.533,1061 11.724,1062 6.915,1063 18.819,1064 9.39,1065 3.03,1066 -0.096,1067 17.378,1068 0.278,1069 10.381,1070 12.735,1071 7.666,1072 21.009,1073 10.243,1074 2.684,1075 10.225,1076 19.166,1077 -0.259,1078 11.543,1079 14.287,1080 8.557,1081 23.361,1082 11.393,1083 2.397,1084 7.869,1085 20.969,1086 3.988,1087 12.509,1088 15.443,1089 9.363,1090 25.626,1091 12.365,1092 2.232,1093 6.792,1094 22.784,1095 3.503,1096 13.625,1097 16.917,1098 10.231,1099 27.958,1100 13.476,1101 2.182,1102 5.72,1103 24.608,1104 3.153,1105 14.653,1106 18.161,1107 11.061,1108 30.255,1109 14.51,1110 2.055,1111 5.183,1112 26.44,1113 2.806,1114 15.752,1115 19.591,1116 11.919,1117 32.58,1118 15.608,1119 1.789,1120 5.141,1121 28.279,1122 2.707,1123 16.814,1124 20.889,1125 12.76,1126 34.891,1127 16.674,1128 11884,1129 20664,1130 20.572,1131 38.529,1132 46.638,1133 47.455,1134 47.006,1135 45.943,1136 45.918,1137 59.238,1138 11.074,1139 120.137,1140 44.835,1141 5.252,1142 5.596,1143 6.31,1144 5.062,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 18.845,1151 1.457,1152 1.483,1153 1.469,1154 1.436,1155 1.435,1156 1.851,1157 0.346,1158 3.754,1159 1.401,1160 4.012,1161 4.044,1162 3.96,1163 3.949,1164 7.474,1165 3.948,1166 3.82,1167 3.869,1168 3.757,1169 3.715,1170 7.439,1171 3.718,1172 3.734,1173 3.793,1174 3.631,1175 3.583,1176 6.351,1177 3.577,1178 3.695,1179 3.74,1180 3.578,1181 3.549,1182 4.936,1183 3.544,1184 3.547,1185 3.614,1186 3.436,1187 3.276,1188 4.898,1189 3.314,1190 3.385,1191 3.414,1192 3.3,1193 3.202,1194 4.781,1195 3.221,1196 3.218,1197 3.298,1198 3.114,1199 2.915,1200 4.589,1201 2.959,1202 3.033,1203 3.073,1204 2.908,1205 2.835,1206 4.244,1207 2.847,1208 0.137,1209 0.112,1210 0.203,1211 0.126,1212 0.095,1213 4.393,1214 0.125,1215 3.596,1216 0.073,1217 6.508,1218 0.32,1219 4.026,1220 0.094,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.795,1233 1.758,1234 1.977,1235 1.947,1236 1.221,1237 1.95,1238 1.719,1239 1.655,1240 1.921,1241 1.88,1242 1.124,1243 1.899,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.943,1249 1.868,1250 1.422,1251 1.358,1252 1.575,1253 1.74,1254 0.675,1255 1.702,1256 1.322,1257 1.285,1258 1.521,1259 1.541,1260 0.546,1261 1.527,1262 1.096,1263 1.023,1264 1.417,1265 1.439,1266 0.469,1267 1.42,1268 0.979,1269 0.937,1270 1.358,1271 1.239,1272 0.364,1273 1.308,1274 4.174,1276 5.434,1278 6.86,1280 8.37,1282 9.933,1284 4.058,1288 5.268,1289 8.884,1290 1.823,1291 5.626,1294 0.323,1300 36.573,1301 93.126,1302 231.771,1303 301.394,1304 324.904,1305 326.904,1306 326.904,1307 81.588,1308 6.919,1309 129.7,1310 129.7,1311 12,1312 12.191,1313 4.087,1314 3.459,1315 72.493,1316 131,1317 137,1318 0.263,1319 233.294,1320 414.91,1321 560.997,1322 8249,1324 22.64,1325 0.73,1326 0.575,1327 22.64,1328 17.837,1329 14.846,1330 0.464,1331 0.317,1332 10.034,1333 14.315,1334 9.735,1335 8.223,1336 14.846,1337 10.156,1338 13.235,1339 0.323,1340 0.181,1341 13.235,1342 7.424,1343 8.877,1344 0.193,1345 0.091,1346 8.877,1347 4.208,1348 7.326,1349 0.126,1350 0.049,1351 7.326,1352 2.826,1353 5.841,1354 0.083,1355 0.027,1356 5.841,1357 1.905,1358 0.412,1359 92.869,1360 0.22,1361 29.251,1362 0.721,1363 146,1364 452.889,1365 161.218,1366 441.611,1367 582.31,1368 408,1369 160,1370 409.88,1371 171.647,1372 416.952,1373 592.66,1374 390,1375 6.699} {0 CHEMBL22484,1 1.736,2 7.833,3 1.963,4 3.854,5 71.78,6 8.678,7 0.5,8 3.533,9 3.623,10 3.291,11 3.165,12 4.695,13 3.121,14 4.039,15 4.18,16 3.689,17 3.592,18 5.267,19 3.509,20 4.208,21 4.371,22 3.558,23 3.646,24 5.224,25 3.498,26 4.25,27 4.448,28 3.455,29 3.538,30 5.308,31 3.391,32 4.008,33 4.191,34 3.365,35 3.328,36 5.149,37 3.206,38 3.909,39 4.135,40 3.201,41 3.087,42 4.98,43 3.004,44 3.577,45 3.793,46 2.701,47 2.86,48 4.534,49 2.759,50 3.616,51 3.848,52 2.518,53 2.669,54 4.752,55 2.569,56 0.05,57 0.435,58 5.219,59 2.856,60 8.198,61 3.125,62 0.23,63 0.738,64 10.681,65 4.905,66 31.564,67 5.538,68 0.146,69 0.841,70 18.472,71 7.231,72 19.116,73 7.94,74 0.275,75 0.821,76 19.266,77 7.133,78 41.646,79 7.718,80 0.19,81 0.651,82 14.863,83 5.515,84 28.904,85 6.032,86 0.217,87 0.588,88 14.272,89 4.564,90 21.908,91 5.198,92 0.08,93 0.424,94 8.083,95 3.18,96 10.586,97 4.039,98 0.258,99 0.414,100 8.428,101 2.852,102 27.197,103 3.537,104 6,105 28,106 0.328,107 0.732,108 0.865,109 0.891,110 0.891,111 0.891,112 2.961,113 0.983,114 -3.07,115 -3.07,116 -2.95,118 43.3,120 2,124 1,133 1,134 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 1,175 1,177 1,180 8,181 2,186 4,191 2,194 6,195 2,198 3,203 2,206 2,207 1,210 5,215 1,219 1,222 4,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.604,277 15.105,278 7.196,279 12.53,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.465,286 18.674,287 3.463,288 10.514,289 3.171,290 1.037,291 0.333,292 0.2,293 0.2,294 0.2,295 3.637,298 1,299 1,300 1,301 305,302 2.55,305 81.872,306 44.311,309 66.845,313 1.407,314 16.125,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 141,327 4.416,328 3.617,329 6.307,330 4.001,331 3.047,332 4.075,333 1.437,334 9.682,335 2.92,336 4.024,337 3.14,338 5.85,339 3.625,340 2.666,341 3.499,342 0.522,343 8.029,344 2.538,345 3.886,346 2.745,347 5.486,348 3.43,349 2.493,350 3.33,352 7.308,353 2.319,354 3.278,355 2.255,356 4.912,357 2.873,358 1.933,359 2.498,361 5.609,362 1.795,363 2.858,364 1.994,365 4.432,366 2.477,367 1.523,368 1.899,370 4.338,371 1.436,372 2.659,373 1.671,374 3.786,375 2.232,376 1.247,377 1.641,379 2.917,380 1.204,381 2.543,382 1.2,383 3.413,384 2.035,385 1.112,386 1.517,388 2.504,389 1.02,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.777,400 0.541,401 3,402 1.314,403 0.392,404 0.522,406 1.025,407 0.352,408 1.019,409 0.368,410 2.679,411 0.717,412 -0.217,413 -0.26,415 -0.623,416 -0.201,417 0.596,418 0.042,419 2.318,420 0.263,421 -0.705,422 -0.803,424 -1.978,425 -0.657,426 0.402,427 -0.532,428 2,429 0.055,430 -0.919,431 -1.097,433 -2,434 -0.878,435 0.339,436 -0.653,437 1.793,438 -0.024,439 -1,440 -1.376,442 -2.673,443 -0.975,444 0.064,445 -1.074,446 1.51,447 -0.37,448 -1.306,449 -1.616,451 -3.254,452 -1.218,453 -0.118,454 -1.44,455 1.175,456 -0.679,457 -1.618,458 -1.949,460 -4.372,461 -1.402,462 8.8,463 0.489,464 0.452,465 0.025,466 22.75,467 1.264,468 11,469 0.611,470 11.75,471 0.653,472 13.135,473 0.73,474 18.8,475 0.627,476 13.058,477 0.725,478 4.375,479 0.243,480 4.346,481 0.241,482 0.076,484 0.33,487 0.795,488 1.152,489 0.7,490 0.843,491 0.679,492 0.824,493 0.574,494 0.781,495 0.813,496 0.752,497 0.355,498 0.814,499 0.667,500 1.24,501 1.438,502 1.479,503 0.647,504 1.308,505 1.175,506 0.975,507 1.237,508 1.091,509 1.211,510 1.081,511 1.087,512 1.12,513 1.131,514 1.152,515 1.141,516 1.049,517 0.977,518 1.006,519 0.841,520 0.992,521 0.954,522 0.875,523 0.613,524 1.145,525 0.839,526 1.029,527 0.52,528 1.104,529 1.2,530 0.851,531 0.827,532 0.716,533 1.444,534 1.042,535 4,536 0.04,537 1.556,538 1.326,539 0.608,540 0.581,541 0.274,542 0.101,543 0.099,544 0.055,545 2938,546 9439,547 2.12,548 40,549 2,550 4,551 1,552 2,553 1,554 2,558 1.583,559 2,560 3.003,561 -0.225,563 1,564 1,565 1,567 52.081,568 1.736,569 3.87,570 4.574,571 4.707,572 4.707,573 4.707,574 2.489,575 3.392,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 147.207,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.058,592 0.03,593 0.032,594 0.018,595 0.009,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.383,603 -0.089,604 -0.106,605 0.047,606 0.057,607 -0.058,608 0.039,609 0.135,610 0.299,611 0.065,612 0.197,613 0.228,614 0.089,615 -0.036,616 -0.252,617 -0.273,618 -0.326,619 -0.027,620 -0.29,621 -0.177,622 -0.033,623 -0.14,624 -0.031,625 -0.167,626 -0.074,627 -0.088,628 -0.181,629 -0.016,630 -0.075,631 -0.078,632 -0.044,633 0.015,634 -0.042,635 0.173,636 -0.035,637 -0.015,638 0.119,639 0.013,640 -0.211,641 -0.067,642 -0.188,643 0.005,644 -0.123,645 0.034,646 0.075,647 -0.107,648 0.02,649 -0.207,650 -0.124,651 2.469,652 3.95,653 0.778,654 13.136,655 1.012,656 1.114,657 1.838,658 3.38,659 0.713,660 3.045,661 3.367,662 3.611,663 3.871,664 3.989,665 4.111,666 4.263,667 4.304,668 4.22,669 4.174,670 4.841,671 0.676,672 260.34,673 3.045,674 4.575,675 5.416,676 6.29,677 7.151,678 8.029,679 8.899,680 9.779,681 10.654,682 11.536,683 6.7,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 30,726 12,728 20,730 32,731 13,733 7,736 3,739 3,740 4,748 2,751 2,753 10,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 12,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,822 1,823 1,830 1,832 2,834 1,840 18,845 1,846 3,856 1,862 6.7,864 1,865 1,869 9,870 5.35,871 3.889,872 1.736,874 2.178,875 1.335,876 0.984,877 3.039,878 8.678,879 3.332,880 3.922,881 4.457,882 4.998,883 5.254,884 5.626,885 6.056,886 6.366,887 6.474,888 6.684,889 1,890 23,891 6.639,893 2.857,894 7.87,895 12.667,897 10.602,899 2.37,900 42.667,901 0.001,904 129.482,905 94.116,906 18.685,908 67.828,910 31.278,911 62.839,912 197.31,913 18.685,915 7.175,916 28,917 117.684,918 17.318,919 14.488,920 125.447,922 129.482,923 81.523,924 67.828,925 31.278,927 129.482,928 67.828,931 26.74,932 28.521,933 26.262,934 31.278,935 129.482,936 86.513,937 94.116,940 129.482,941 48.45,942 47.565,944 84.614,945 129.482,946 86.513,947 94.116,949 0.584,950 0.331,951 0.174,952 0.085,953 15,954 6,955 0.094,956 3,957 1,958 1.143,959 3.138,960 129.108,961 0.143,962 14,963 75.059,964 1,968 11.662,969 4.69,970 2.416,972 84.614,973 7.562,974 4.013,977 1.761,978 3.592,979 2.013,980 42.683,981 310.111,982 27,987 10.95,989 1.801,991 -0.294,994 30.353,995 33.411,996 0.354,997 0.789,998 0.932,999 0.959,1000 0.959,1001 0.959,1002 4.559,1003 0.618,1004 5.398,1005 2.504,1006 4.043,1007 4.605,1008 1.736,1009 6.18,1010 3.932,1011 5.768,1012 0.392,1013 6.936,1014 1.372,1015 3.611,1016 4.369,1018 6.974,1019 3.451,1020 7.071,1021 -0.217,1022 8.569,1023 1.025,1024 5.609,1025 6.757,1026 2.269,1027 10.042,1028 5.402,1029 8.409,1030 -0.705,1031 10.255,1032 -0.623,1033 5.994,1034 7.372,1036 11.648,1037 5.732,1038 9.777,1039 -0.919,1040 11.975,1041 -1.978,1042 7.449,1043 9.174,1044 2.925,1045 14.199,1046 7.155,1047 11.166,1048 -1,1049 13.718,1050 -2,1051 8.204,1052 10.182,1054 16.154,1055 7.855,1056 12.57,1057 -1.306,1058 15.476,1059 -2.673,1060 9.441,1061 11.74,1062 3.619,1063 18.517,1064 9.062,1065 3.047,1066 -1.618,1067 17.247,1068 -3.254,1069 10.37,1070 12.94,1072 20.633,1073 9.94,1074 2.666,1075 9.682,1076 19.026,1077 -4.372,1078 11.517,1079 14.394,1080 4.33,1081 22.926,1082 11.056,1083 2.493,1084 8.029,1085 20.813,1086 4.075,1087 12.531,1088 15.689,1090 25.118,1091 12.022,1092 1.933,1093 7.308,1094 22.607,1095 3.499,1096 13.644,1097 17.1,1098 5.047,1099 27.386,1100 13.101,1101 1.523,1102 5.609,1103 24.405,1104 3.33,1105 14.699,1106 18.443,1108 29.615,1109 14.112,1110 1.247,1111 4.338,1112 26.207,1113 2.498,1114 15.8,1115 19.84,1116 5.769,1117 31.877,1118 15.176,1119 1.112,1120 2.917,1121 28.014,1122 1.899,1123 16.878,1124 21.207,1126 34.124,1127 16.211,1128 2861,1129 5204,1130 13.523,1131 21.375,1132 30.815,1133 30.598,1134 30.255,1135 30.07,1136 30.063,1137 39.814,1138 3.916,1139 85.566,1140 28.323,1141 5.297,1142 5.554,1143 5.921,1144 5.13,1145 5.047,1146 6.818,1147 2.873,1148 16.094,1149 4.92,1150 7.237,1151 1.541,1152 1.53,1153 1.513,1154 1.503,1155 1.503,1156 1.991,1157 0.196,1158 4.278,1159 1.416,1160 4.04,1161 4.065,1162 4.28,1163 4.04,1164 7.475,1165 3.985,1166 3.867,1167 3.919,1168 3.822,1169 3.675,1170 6.351,1171 3.702,1172 3.524,1173 3.529,1174 3.61,1175 3.445,1176 4.96,1177 3.419,1178 3.194,1179 3.231,1180 3.065,1181 2.986,1182 4.66,1183 2.99,1184 2.919,1185 2.999,1186 2.857,1187 2.745,1188 4.035,1189 2.737,1190 2.745,1191 2.781,1192 2.717,1193 2.514,1194 3.588,1195 2.513,1196 2.474,1197 2.573,1198 2.282,1199 2.286,1200 3.553,1201 2.269,1202 2.301,1203 2.419,1204 2.264,1205 2.103,1206 3.327,1207 2.064,1208 0.221,1209 0.181,1210 0.315,1211 0.2,1212 0.152,1213 4.416,1214 0.204,1215 3.617,1216 0.072,1217 6.307,1218 0.484,1219 4.001,1220 0.146,1221 3.047,1222 4.075,1223 1.437,1224 9.682,1225 2.92,1226 1.86,1227 1.838,1228 1.982,1229 1.953,1230 1.276,1231 1.965,1232 1.665,1233 1.624,1234 1.783,1235 1.846,1236 1.047,1237 1.844,1238 1.331,1239 1.283,1240 1.5,1241 1.527,1242 0.601,1243 1.521,1244 1.234,1245 1.194,1246 1.41,1247 1.441,1248 0.464,1249 1.431,1250 1.182,1251 1.164,1252 1.299,1253 1.399,1254 0.443,1255 1.378,1256 0.939,1257 0.887,1258 1.124,1259 1.073,1260 0.277,1261 1.135,1262 0.596,1263 0.565,1264 0.894,1265 0.926,1266 0.025,1267 0.94,1268 0.443,1269 0.343,1270 0.823,1271 0.698,1273 0.777,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.273,1282 9.702,1289 9.001,1290 2.267,1300 20.294,1301 52.081,1302 116.087,1303 137.207,1304 141.207,1305 141.207,1306 141.207,1307 24.043,1308 6.5,1309 55.12,1310 83.36,1311 16,1312 12.072,1313 3.7,1314 3,1315 25.837,1316 54,1317 40,1318 0.253,1319 128.438,1320 216.83,1321 305.15,1322 4840,1324 12.535,1325 0.696,1326 0.582,1327 12.889,1328 10.483,1329 8.72,1330 0.436,1331 0.328,1332 5.731,1333 7.937,1334 5.541,1335 4.549,1336 9.129,1337 6.55,1338 8.061,1339 0.288,1340 0.197,1341 8.73,1342 5.522,1343 6.537,1344 0.182,1345 0.117,1346 7.29,1347 4.212,1348 5.43,1349 0.116,1350 0.07,1351 6.275,1352 3.289,1353 3.874,1354 0.073,1355 0.043,1356 4.641,1357 2.278,1358 0.389,1359 58.672,1360 0.272,1361 18.11,1362 0.709,1363 96,1364 294.036,1365 129.576,1366 305.157,1367 409.36,1368 284,1369 112,1370 277.339,1371 141.505,1372 297.956,1373 431.88,1374 279,1375 7.032} {0 CHEMBL22542,1 1.736,2 7.833,3 2.385,4 5.686,5 71.832,6 8.678,7 0.5,8 3.533,9 3.623,10 3.291,11 3.165,12 4.695,13 3.121,14 4.039,15 4.18,16 3.689,17 3.592,18 5.267,19 3.509,20 4.207,21 4.372,22 3.554,23 3.64,24 5.222,25 3.497,26 4.263,27 4.465,28 3.502,29 3.553,30 5.315,31 3.398,32 4.012,33 4.19,34 3.463,35 3.335,36 5.133,37 3.205,38 3.837,39 4.06,40 3,41 3.059,42 4.899,43 2.98,44 3.62,45 3.827,46 2.706,47 2.858,48 4.657,49 2.775,50 3.639,51 3.878,52 2.519,53 2.679,54 4.761,55 2.575,56 0.05,57 0.435,58 5.219,59 2.856,60 8.198,61 3.125,62 0.23,63 0.738,64 10.681,65 4.905,66 31.588,67 5.538,68 0.142,69 0.833,70 17.406,71 7.016,72 19.376,73 7.863,74 0.277,75 0.832,76 19.07,77 7.214,78 42.424,79 7.872,80 0.234,81 0.67,82 18.799,83 6.107,84 27.508,85 6.177,86 0.134,87 0.555,88 11.885,89 4.149,90 14.413,91 5.022,92 0.116,93 0.426,94 7.387,95 3.026,96 17.74,97 3.822,98 0.263,99 0.423,100 8.836,101 2.962,102 27.873,103 3.707,104 6,105 28,106 0.328,107 0.745,108 0.865,109 0.891,110 0.891,111 0.891,112 2.961,113 0.983,114 -3.07,115 -3.07,116 -2.95,118 43.3,120 2,124 1,133 1,134 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 1,175 1,177 1,180 8,181 2,186 4,191 2,194 6,195 1,198 2,203 1,206 2,207 2,210 6,215 2,219 1,222 4,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.604,277 15.105,278 7.196,279 12.53,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.465,286 18.674,287 3.463,288 10.51,289 3.171,290 0.971,291 0.333,292 0.2,293 0.2,294 0.2,295 3.637,298 1,299 1,300 1,301 305,302 2.55,305 81.872,306 44.311,309 66.845,313 1.407,314 16.311,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 141,327 4.416,328 3.617,329 6.307,330 3.998,331 3.047,332 4.075,333 1.437,334 9.682,335 2.909,336 4.024,337 3.14,338 5.85,339 3.629,340 2.666,341 3.499,342 0.522,343 8.029,344 2.557,345 3.886,346 2.745,347 5.486,348 3.433,349 2.493,350 3.33,352 7.308,353 2.323,354 3.278,355 2.255,356 4.912,357 2.869,358 1.933,359 2.498,361 5.609,362 1.787,363 2.858,364 1.994,365 4.432,366 2.464,367 1.523,368 1.899,370 4.338,371 1.41,372 2.659,373 1.671,374 3.786,375 2.242,376 1.247,377 1.641,379 2.917,380 1.222,381 2.543,382 1.2,383 3.413,384 2.035,385 1.112,386 1.517,388 2.504,389 1.019,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.777,400 0.541,401 3,402 1.326,403 0.392,404 0.522,406 1.025,407 0.357,408 1.019,409 0.368,410 2.679,411 0.701,412 -0.217,413 -0.26,415 -0.623,416 -0.198,417 0.596,418 0.042,419 2.318,420 0.279,421 -0.705,422 -0.803,424 -1.978,425 -0.675,426 0.402,427 -0.532,428 2,429 0.042,430 -0.919,431 -1.097,433 -2,434 -0.845,435 0.339,436 -0.653,437 1.793,438 -0.024,439 -1,440 -1.376,442 -2.673,443 -0.976,444 0.064,445 -1.074,446 1.51,447 -0.37,448 -1.306,449 -1.616,451 -3.254,452 -1.225,453 -0.118,454 -1.44,455 1.175,456 -0.664,457 -1.618,458 -1.949,460 -4.372,461 -1.432,462 8.8,463 0.489,464 0.452,465 0.025,466 22.75,467 1.264,468 11,469 0.611,470 11.75,471 0.653,472 13.128,473 0.729,474 18.8,475 0.627,476 13.065,477 0.726,478 4.375,479 0.243,480 4.346,481 0.241,482 0.076,484 0.33,487 0.795,488 1.152,489 0.7,490 0.843,491 0.679,492 0.824,493 0.574,494 0.781,495 0.813,496 0.752,497 0.356,498 0.814,499 0.656,500 1.218,501 1.319,502 1.4,503 0.644,504 1.289,505 1.152,506 0.943,507 1.16,508 1.026,509 1.196,510 1.05,511 1.026,512 1.197,513 1.42,514 1.464,515 1.152,516 1.073,517 0.843,518 1.076,519 0.904,520 0.996,521 0.639,522 0.948,523 0.965,524 1.072,525 0.714,526 0.858,527 0.959,528 1.084,529 1.167,530 0.828,531 0.804,532 0.696,533 1.403,534 1.013,535 4,536 0.04,537 1.556,538 1.326,539 0.608,540 0.581,541 0.274,542 0.101,543 0.099,544 0.055,545 2938,546 9385,547 2.12,548 40,549 4,550 4,551 1,552 2,553 1,558 1.583,559 2,560 3.003,561 -0.225,563 1,564 1,565 1,567 52.081,568 1.736,569 3.936,570 4.574,571 4.707,572 4.707,573 4.707,574 2.489,575 3.392,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 147.207,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.058,592 0.03,593 0.032,594 0.018,595 0.009,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.383,603 -0.089,604 -0.106,605 0.047,606 0.057,607 -0.058,608 0.039,609 0.135,610 0.299,611 0.065,612 0.197,613 0.227,614 0.089,615 -0.028,616 -0.244,617 -0.228,618 -0.298,619 -0.024,620 -0.281,621 -0.162,622 -0.004,623 -0.06,624 0.034,625 -0.162,626 -0.037,627 -0.01,628 -0.21,629 -0.015,630 -0.198,631 -0.087,632 -0.028,633 -0.024,634 -0.11,635 -0.019,636 -0.109,637 0.084,638 0.03,639 -0.106,640 -0.17,641 -0.075,642 -0.116,643 -0.125,644 -0.147,645 0.046,646 0.092,647 -0.072,648 0.046,649 -0.191,650 -0.082,651 2.467,652 3.951,653 0.778,654 13.136,655 1.012,656 1.114,657 1.838,658 3.38,659 0.713,660 3.045,661 3.367,662 3.611,663 3.871,664 3.989,665 4.111,666 4.263,667 4.304,668 4.22,669 4.174,670 4.841,671 0.676,672 260.34,673 3.045,674 4.575,675 5.416,676 6.29,677 7.151,678 8.029,679 8.899,680 9.779,681 10.654,682 11.536,683 6.7,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 30,726 12,728 20,730 32,731 13,733 7,736 3,739 3,740 4,748 2,751 2,753 10,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 12,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,822 1,823 1,830 1,832 2,834 1,840 18,845 1,846 3,856 1,862 6.7,864 1,865 1,869 9,870 5.35,871 3.889,872 1.736,874 2.178,875 1.335,876 0.984,877 3.039,878 8.678,879 3.332,880 3.922,881 4.457,882 4.998,883 5.254,884 5.626,885 6.056,886 6.366,887 6.474,888 6.684,889 1,890 23,891 6.639,893 2.858,894 7.87,895 12.667,897 10.602,899 2.37,900 42.667,901 0.001,904 129.482,905 94.116,906 18.685,908 67.828,910 31.278,911 62.839,912 197.31,913 18.685,915 7.175,916 28,917 117.684,918 17.318,919 14.488,920 125.447,922 129.482,923 81.523,924 67.828,925 31.278,927 129.482,928 67.828,931 26.74,932 28.521,933 26.262,934 31.278,935 129.482,936 86.513,937 94.116,940 129.482,941 48.45,942 47.565,944 84.614,945 129.482,946 86.513,947 94.116,949 0.584,950 0.331,951 0.174,952 0.085,953 15,954 6,955 0.094,956 3,957 1,958 1.143,959 3.138,960 129.108,961 0.143,962 14,963 75.059,964 1,968 11.662,969 4.69,970 2.416,972 84.614,973 7.652,974 4.013,977 1.666,978 3.592,979 2.013,980 42.683,981 310.111,982 27,987 10.951,989 1.809,991 -0.288,994 30.353,995 33.411,996 0.354,997 0.802,998 0.932,999 0.959,1000 0.959,1001 0.959,1002 4.559,1003 0.618,1004 5.398,1005 2.504,1006 4.043,1007 4.605,1008 1.736,1009 6.18,1010 3.932,1011 5.768,1012 0.392,1013 6.936,1014 1.372,1015 3.611,1016 4.369,1018 6.974,1019 3.451,1020 7.071,1021 -0.217,1022 8.569,1023 1.025,1024 5.609,1025 6.757,1026 2.269,1027 10.042,1028 5.402,1029 8.409,1030 -0.705,1031 10.255,1032 -0.623,1033 5.994,1034 7.372,1036 11.648,1037 5.732,1038 9.777,1039 -0.919,1040 11.975,1041 -1.978,1042 7.449,1043 9.174,1044 2.925,1045 14.199,1046 7.153,1047 11.166,1048 -1,1049 13.718,1050 -2,1051 8.204,1052 10.182,1054 16.154,1055 7.851,1056 12.57,1057 -1.306,1058 15.476,1059 -2.673,1060 9.441,1061 11.74,1062 3.619,1063 18.517,1064 9.057,1065 3.047,1066 -1.618,1067 17.247,1068 -3.254,1069 10.37,1070 12.94,1072 20.633,1073 9.931,1074 2.666,1075 9.682,1076 19.026,1077 -4.372,1078 11.517,1079 14.394,1080 4.33,1081 22.926,1082 11.044,1083 2.493,1084 8.029,1085 20.813,1086 4.075,1087 12.531,1088 15.689,1090 25.118,1091 12.005,1092 1.933,1093 7.308,1094 22.607,1095 3.499,1096 13.644,1097 17.1,1098 5.047,1099 27.386,1100 13.08,1101 1.523,1102 5.609,1103 24.405,1104 3.33,1105 14.699,1106 18.443,1108 29.615,1109 14.086,1110 1.247,1111 4.338,1112 26.207,1113 2.498,1114 15.8,1115 19.84,1116 5.769,1117 31.877,1118 15.146,1119 1.112,1120 2.917,1121 28.014,1122 1.899,1123 16.878,1124 21.207,1126 34.124,1127 16.176,1128 2861,1129 5195,1130 13.523,1131 21.375,1132 30.815,1133 30.598,1134 30.255,1135 30.088,1136 30.063,1137 39.814,1138 3.916,1139 85.566,1140 28.323,1141 5.297,1142 5.554,1143 5.921,1144 5.128,1145 5.047,1146 6.818,1147 2.873,1148 16.094,1149 4.909,1150 7.237,1151 1.541,1152 1.53,1153 1.513,1154 1.504,1155 1.503,1156 1.991,1157 0.196,1158 4.278,1159 1.416,1160 4.04,1161 4.065,1162 4.282,1163 4.04,1164 7.475,1165 3.985,1166 3.867,1167 3.919,1168 3.823,1169 3.675,1170 6.351,1171 3.702,1172 3.529,1173 3.535,1174 3.593,1175 3.441,1176 4.96,1177 3.422,1178 3.182,1179 3.218,1180 3.125,1181 2.992,1182 4.657,1183 2.982,1184 2.902,1185 2.977,1186 2.845,1187 2.749,1188 4.048,1189 2.729,1190 2.784,1191 2.828,1192 2.639,1193 2.505,1194 3.615,1195 2.541,1196 2.473,1197 2.573,1198 2.361,1199 2.286,1200 3.515,1201 2.268,1202 2.273,1203 2.396,1204 2.262,1205 2.09,1206 3.327,1207 2.011,1208 0.221,1209 0.181,1210 0.315,1211 0.2,1212 0.152,1213 4.416,1214 0.204,1215 3.617,1216 0.072,1217 6.307,1218 0.484,1219 3.998,1220 0.145,1221 3.047,1222 4.075,1223 1.437,1224 9.682,1225 2.909,1226 1.859,1227 1.837,1228 1.988,1229 1.954,1230 1.281,1231 1.967,1232 1.666,1233 1.627,1234 1.78,1235 1.846,1236 1.043,1237 1.842,1238 1.34,1239 1.297,1240 1.498,1241 1.528,1242 0.579,1243 1.522,1244 1.262,1245 1.211,1246 1.41,1247 1.494,1248 0.484,1249 1.464,1250 1.098,1251 1.103,1252 1.276,1253 1.286,1254 0.441,1255 1.286,1256 0.988,1257 0.921,1258 1.13,1259 1.13,1260 0.281,1261 1.188,1262 0.621,1263 0.576,1264 0.923,1265 0.949,1266 0.031,1267 0.966,1268 0.41,1269 0.321,1270 0.825,1271 0.679,1273 0.758,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.273,1282 9.702,1289 9.002,1290 2.255,1300 20.294,1301 52.081,1302 118.087,1303 137.207,1304 141.207,1305 141.207,1306 141.207,1307 24.081,1308 6.5,1309 55.12,1310 83.36,1311 16,1312 12.072,1313 3.7,1314 3,1315 25.837,1316 54,1317 40,1318 0.253,1319 128.438,1320 216.83,1321 305.15,1322 4840,1324 12.535,1325 0.696,1326 0.582,1327 12.889,1328 10.483,1329 8.72,1330 0.436,1331 0.328,1332 5.731,1333 7.937,1334 5.54,1335 4.551,1336 9.129,1337 6.55,1338 8.061,1339 0.288,1340 0.196,1341 8.73,1342 5.48,1343 6.537,1344 0.182,1345 0.115,1346 7.272,1347 4.143,1348 5.43,1349 0.116,1350 0.071,1351 6.324,1352 3.316,1353 3.874,1354 0.073,1355 0.043,1356 4.702,1357 2.271,1358 0.389,1359 58.672,1360 0.272,1361 18.11,1362 0.709,1363 96,1364 294.036,1365 129.576,1366 305.256,1367 409.42,1368 284,1369 112,1370 277.339,1371 141.505,1372 298.178,1373 432.51,1374 279,1375 7.886} {0 CHEMBL22721,1 1.536,2 10.966,3 3.88,4 15.053,5 114.165,6 7.25,7 0.4,8 4.047,9 4.177,10 3.564,11 3.571,12 5.242,13 3.545,14 4.529,15 4.715,16 3.843,17 3.913,18 5.712,19 3.846,20 4.79,21 5.021,22 3.852,23 4.041,24 5.816,25 3.95,26 4.804,27 5.037,28 3.919,29 4.069,30 5.839,31 3.978,32 4.859,33 5.075,34 3.969,35 4.161,36 5.927,37 4.075,38 4.983,39 5.228,40 3.982,41 4.231,42 5.999,43 4.111,44 4.952,45 5.197,46 3.903,47 4.162,48 6.008,49 4.041,50 4.906,51 5.172,52 3.854,53 4.018,54 5.972,55 3.911,56 0.038,57 0.785,58 11.063,59 4.622,60 15.48,61 6.28,62 0.268,63 1.184,64 19.39,65 7.783,66 48.022,67 10.824,68 0.293,69 1.42,70 26.992,71 9.121,72 57.114,73 13.263,74 0.253,75 1.449,76 27.195,77 9.923,78 53.118,79 14.303,80 0.297,81 1.58,82 28.207,83 9.724,84 52.315,85 14.062,86 0.218,87 1.711,88 32.585,89 12.099,90 55.85,91 17.736,92 0.262,93 1.657,94 31.674,95 11.08,96 64.454,97 16.378,98 0.225,99 1.472,100 31.454,101 10.499,102 53.874,103 15.619,104 53,105 38,106 0.254,107 0.639,108 0.808,109 0.874,110 0.88,111 0.88,112 3.408,113 0.942,114 -4.08,115 -4.03,116 -3.81,118 40.7,119 2,120 3,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 12,169 1,172 5,175 4,176 1,177 3,180 15,181 1,186 3,191 3,194 14,195 1,197 1,198 5,201 1,203 9,206 13,207 1,210 6,215 5,218 12,219 1,222 9,227 5,229 12,230 2,234 8,237 1,239 6,242 8,243 3,247 7,248 1,252 6,255 5,256 2,258 2,259 6,262 2,264 4,265 1,267 4,268 1,270 1577,271 19.405,272 19.405,273 19.405,274 19.405,275 19.405,276 17.126,277 19.055,278 12.193,279 19.738,280 14.847,281 14.847,282 14.847,283 14.847,284 14.847,285 11.411,286 22.034,287 5.777,288 15.338,289 4.219,290 1.892,291 0.871,292 0.472,293 0.435,294 0.435,295 4.076,299 1,300 1,301 636,302 4.637,306 222.824,313 1.762,314 25.754,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 62.5,326 318,327 4.393,328 3.921,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.019,337 3.596,338 5.641,339 3.614,340 2.676,341 3.504,342 1.374,343 7.859,344 2.525,345 3.802,346 3.118,347 5.317,348 3.346,349 2.383,350 3.151,351 1.107,352 6.773,353 2.28,354 3.552,355 3.009,356 4.964,357 3.237,358 2.232,359 2.793,360 0.268,361 5.708,362 2.219,363 3.465,364 2.521,365 4.659,366 3.03,367 2.057,368 2.707,370 5.183,371 1.999,372 3.404,373 2.148,374 4.388,375 2.806,376 1.853,377 2.176,379 4.464,380 1.761,381 3.021,382 2.006,383 4.108,384 2.56,385 1.574,386 2.03,388 3.717,389 1.547,390 2.821,391 1.83,392 3.564,393 2.377,394 1.398,395 1.792,397 2.946,398 1.364,399 2.723,400 1.474,401 3.495,402 2.185,403 1.195,404 1.678,406 2.622,407 1.182,408 2.632,409 1.208,410 3.261,411 1.957,412 1,413 1.566,415 2.136,416 0.954,417 2.5,418 1.101,419 3.247,420 1.913,421 1,422 1.5,424 1.925,425 0.912,426 2.204,427 1,428 3.099,429 1.801,430 0.804,431 1.062,433 1.702,434 0.798,435 1.297,436 0.633,437 2.68,438 1.123,439 0.122,440 0.136,442 0.278,443 0.121,444 1.268,445 0.584,446 2.585,447 0.859,448 -0.081,449 -0.101,451 -0.213,452 -0.076,453 1.222,454 0.29,455 2.292,456 0.549,457 -0.366,458 -0.503,460 -0.64,461 -0.334,462 13.667,463 0.471,464 0.596,465 0.021,466 37.75,467 1.302,468 20,469 0.69,470 17.75,471 0.612,472 23.814,473 0.821,474 31.333,475 0.58,476 29.587,477 1.02,478 7.49,479 0.258,480 6.5,481 0.224,482 0.151,484 0.256,487 0.861,488 1.313,489 0.856,490 1.096,491 0.669,492 0.992,493 0.443,494 1.045,495 0.868,496 1.102,497 0.371,498 1.058,499 1.068,500 0.981,501 1.039,502 0.929,503 0.9,504 0.965,505 0.746,506 1.032,507 0.86,508 0.975,509 0.638,510 0.946,511 1.054,512 1.011,513 1.125,514 0.988,515 0.81,516 1.043,517 0.615,518 1.101,519 0.931,520 1.078,521 0.627,522 1.054,523 0.748,524 1.095,525 1.079,526 1.146,527 0.942,528 1.148,529 0.827,530 1.066,531 0.845,532 1.03,533 0.703,534 0.948,535 5.5,536 0.173,537 2,538 1.813,539 0.933,540 0.701,541 0.524,542 0.517,543 0.357,544 0.253,545 9582,546 29447,547 1.957,548 46.3,549 4,550 8,552 2,553 3,554 2,555 6,558 1.726,559 1.832,560 3.426,561 0.891,563 1,567 82.95,568 1.536,569 3.863,570 4.884,571 5.282,572 5.32,573 5.32,574 2.902,575 4.513,576 4.824,577 3.637,578 1476.76,579 8.441,580 20730.3,582 1,584 1,585 310.764,586 1.384,587 4.785,588 0.183,589 0.007,590 0.053,591 0.048,592 0.023,593 0.016,594 0.012,595 0.014,596 0.01,597 0.008,598 0.373,599 0.33,600 1,601 1.982,602 148.143,603 -0.087,604 -0.11,605 0.006,606 -0.008,607 -0.036,608 0.009,609 0.295,610 0.061,611 0.035,612 -0.053,613 0.22,614 -0.054,615 -0.168,616 0.051,617 -0.08,618 0.062,619 -0.132,620 0.015,621 0.027,622 -0.025,623 0.085,624 0.044,625 0.028,626 0.063,627 -0.208,628 0.073,629 -0.189,630 0.008,631 -0.12,632 -0.068,633 -0.007,634 -0.111,635 0.001,636 -0.051,637 -0.005,638 -0.029,639 -0.049,640 -0.074,641 -0.137,642 -0.153,643 -0.116,644 -0.153,645 0.036,646 -0.131,647 0.142,648 -0.049,649 0.097,650 0.051,651 2.463,652 3.782,653 0.414,654 31.703,655 1,656 1.131,657 2.85,658 8.124,659 0.658,660 3.434,661 3.664,662 3.807,663 4.043,664 4.205,665 4.234,666 4.331,667 4.443,668 4.419,669 4.407,670 6.881,671 0.626,672 391.52,673 3.434,674 4.92,675 5.707,676 6.544,677 7.358,678 8.207,679 9.035,680 9.889,681 10.726,682 11.584,683 9.3,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 54,726 16,727 1,728 30,730 55,731 22,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 2,751 4,752 1,753 15,754 6,756 3,761 1,763 1,764 1,765 3,769 1,772 25,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 2,840 29,845 1,846 3,847 2,850 1,853 1,858 1,860 1,862 3.7,864 1,865 1,869 15.833,870 10.05,871 6.722,872 3.253,874 2.45,875 1.361,876 0.916,877 8.881,878 9.243,879 3.738,880 4.205,881 4.644,882 5.18,883 5.65,884 5.834,885 6.202,886 6.542,887 6.761,888 6.992,889 1,890 38,891 10.625,893 4.242,894 7.925,895 19.988,897 15.303,899 2.425,900 70.333,902 1,903 1,904 258.964,905 140.978,906 100.652,908 67.828,911 140.978,912 326.793,913 100.652,914 17.65,915 7.604,916 84.344,917 143.25,918 78.253,919 1.899,920 235.422,922 258.964,923 241.63,924 67.828,927 188.338,928 138.455,931 109.204,932 88.153,933 44.273,935 258.964,936 168.48,937 140.978,940 258.964,941 22.726,942 102.079,943 52.194,944 132.459,945 258.964,946 168.48,947 140.978,949 0.551,950 0.289,951 0.164,952 0.09,953 13,954 7,955 0.182,956 10,958 1,959 3.988,960 230.902,962 12,963 138.881,968 22.137,969 11.634,970 7.772,972 168.48,973 15.092,974 4.2,978 2.69,980 78.705,981 568.422,982 41,987 10.782,989 2.037,990 4.364,991 0.56,994 54,995 61.062,996 0.267,997 0.671,998 0.849,999 0.918,1000 0.924,1001 0.924,1002 4.934,1003 1.398,1004 5.645,1005 3.717,1006 4.344,1007 4.89,1008 2.745,1009 6.354,1010 4.286,1011 6.113,1012 1.195,1013 7.133,1014 2.946,1015 3.761,1016 4.425,1017 2.331,1018 7.081,1019 3.687,1020 7.379,1021 1,1022 8.724,1023 2.622,1024 5.82,1025 6.929,1026 3.836,1027 10.162,1028 5.715,1029 8.677,1030 1,1031 10.379,1032 2.136,1033 6.043,1034 7.263,1035 4.148,1036 11.79,1037 5.931,1038 10.003,1039 0.804,1040 12.079,1041 1.925,1042 7.569,1043 9.241,1044 5.275,1045 14.378,1046 7.432,1047 11.35,1048 0.122,1049 13.811,1050 1.702,1051 8.204,1052 10.001,1053 5.902,1054 16.4,1055 8.069,1056 12.716,1057 -0.081,1058 15.57,1059 0.278,1060 9.485,1061 11.712,1062 6.873,1063 18.813,1064 9.333,1065 3.03,1066 -0.366,1067 17.348,1068 -0.213,1069 10.341,1070 12.719,1071 7.63,1072 21.006,1073 10.195,1074 2.676,1075 10.225,1076 19.143,1077 -0.64,1078 11.509,1079 14.281,1080 8.533,1081 23.359,1082 11.354,1083 2.383,1084 7.859,1085 20.951,1086 3.988,1087 12.482,1088 15.436,1089 9.344,1090 25.625,1091 12.334,1092 2.232,1093 6.773,1094 22.769,1095 3.504,1096 13.601,1097 16.914,1098 10.218,1099 27.956,1100 13.45,1101 2.057,1102 5.708,1103 24.597,1104 3.151,1105 14.635,1106 18.158,1107 11.051,1108 30.254,1109 14.49,1110 1.853,1111 5.183,1112 26.432,1113 2.793,1114 15.736,1115 19.59,1116 11.913,1117 32.579,1118 15.591,1119 1.574,1120 4.464,1121 28.273,1122 2.707,1123 16.8,1124 20.888,1125 12.756,1126 34.891,1127 16.661,1128 9876,1129 17416,1130 19.474,1131 35.552,1132 44.271,1133 45.918,1134 44.098,1135 42.727,1136 42.648,1137 56.162,1138 10.181,1139 111.077,1140 41.363,1141 5.219,1142 5.921,1143 6.31,1144 5.062,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 16.49,1151 1.476,1152 1.531,1153 1.47,1154 1.424,1155 1.422,1156 1.872,1157 0.339,1158 3.703,1159 1.379,1160 4.011,1161 4.042,1162 3.959,1163 3.949,1164 7.474,1165 3.947,1166 3.817,1167 3.865,1168 3.755,1169 3.715,1170 6.826,1171 3.718,1172 3.701,1173 3.764,1174 3.608,1175 3.549,1176 6.351,1177 3.545,1178 3.69,1179 3.738,1180 3.576,1181 3.514,1182 4.928,1183 3.521,1184 3.422,1185 3.5,1186 3.312,1187 3.232,1188 4.797,1189 3.244,1190 3.371,1191 3.405,1192 3.285,1193 3.149,1194 4.609,1195 3.18,1196 3.077,1197 3.144,1198 2.987,1199 2.855,1200 4.242,1201 2.879,1202 3.007,1203 3.057,1204 2.887,1205 2.813,1206 4.052,1207 2.825,1208 0.146,1209 0.131,1210 0.217,1211 0.134,1212 0.101,1213 4.393,1214 0.133,1215 3.921,1216 0.078,1217 6.508,1218 0.341,1219 4.026,1220 0.101,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.794,1233 1.757,1234 1.934,1235 1.936,1236 1.126,1237 1.934,1238 1.68,1239 1.63,1240 1.901,1241 1.859,1242 1.074,1243 1.871,1244 1.655,1245 1.586,1246 1.886,1247 1.845,1248 0.942,1249 1.863,1250 1.351,1251 1.306,1252 1.534,1253 1.609,1254 0.674,1255 1.586,1256 1.294,1257 1.225,1258 1.449,1259 1.53,1260 0.469,1261 1.516,1262 0.992,1263 0.948,1264 1.417,1265 1.253,1266 0.391,1267 1.308,1268 0.953,1269 0.888,1270 1.219,1271 1.239,1272 0.324,1273 1.23,1274 4.111,1276 5.361,1278 6.79,1280 8.309,1282 9.881,1284 3.856,1289 8.86,1290 1.339,1291 5.696,1294 0.029,1298 8.939,1299 1.889,1300 33.805,1301 82.95,1302 208.619,1303 263.744,1304 285.254,1305 287.254,1306 287.254,1307 67.507,1308 6.793,1309 110.4,1310 110.4,1311 12,1312 12.141,1313 4.087,1314 3.585,1315 65.061,1316 115,1317 123,1318 0.268,1319 216.778,1320 386.18,1321 520.698,1322 6943,1324 21.062,1325 0.726,1326 0.572,1327 21.062,1328 16.592,1329 13.99,1330 0.466,1331 0.314,1332 9.317,1333 13.512,1334 9.034,1335 7.618,1336 13.99,1337 9.42,1338 12.053,1339 0.317,1340 0.175,1341 12.053,1342 6.66,1343 8.421,1344 0.191,1345 0.089,1346 8.421,1347 3.914,1348 7.165,1349 0.128,1350 0.049,1351 7.165,1352 2.732,1353 5.469,1354 0.083,1355 0.027,1356 5.469,1357 1.756,1358 0.418,1359 87.221,1360 0.227,1361 27.636,1362 0.739,1363 136,1364 419.486,1365 148.56,1366 415.113,1367 550.29,1368 384,1369 150,1370 390.16,1371 159.818,1372 398.439,1373 562.46,1374 373,1375 7.62} {0 CHEMBL22759,1 1.549,2 8.667,3 4.181,4 17.478,5 97.195,6 7.446,7 0.37,8 3.925,9 4.035,10 3.547,11 3.541,12 4.929,13 3.475,14 4.511,15 4.679,16 3.952,17 4.008,18 5.521,19 3.898,20 4.819,21 5.044,22 3.957,23 4.155,24 5.61,25 3.988,26 4.893,27 5.127,28 4.011,29 4.176,30 5.745,31 4.008,32 4.827,33 5.043,34 4.035,35 4.164,36 5.741,37 4.004,38 4.823,39 5.056,40 3.897,41 4.087,42 5.693,43 3.93,44 4.683,45 4.936,46 3.478,47 3.912,48 5.422,49 3.73,50 4.613,51 4.894,52 3.261,53 3.686,54 5.417,55 3.5,56 0.032,57 0.657,58 10.396,59 4.798,60 7.726,61 6.077,62 0.221,63 1.158,64 20.671,65 8.738,66 35.242,67 11.286,68 0.175,69 1.488,70 33.363,71 12.758,72 26.956,73 16.376,74 0.294,75 1.572,76 37.012,77 13.397,78 40.073,79 16.689,80 0.251,81 1.525,82 36.222,83 12.858,84 36.992,85 15.784,86 0.29,87 1.497,88 35.128,89 12.007,90 31.699,91 15.363,92 0.152,93 1.262,94 26.83,95 10.335,96 23.512,97 14.162,98 0.292,99 1.095,100 24.086,101 8.902,102 32.83,103 12.651,104 6,105 38,106 0.267,107 0.61,108 0.772,109 0.833,110 0.854,111 0.854,112 3.23,113 1.064,114 -4.55,115 -4.47,116 -4.21,118 41.3,120 7,121 1,126 1,133 1,134 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 11,169 1,171 1,172 2,175 1,177 1,180 14,181 2,186 6,191 2,194 11,195 2,198 6,203 2,206 7,207 1,210 8,215 1,218 8,219 1,222 6,227 1,229 10,234 3,235 1,242 9,243 1,246 1,247 3,250 1,252 1,255 6,256 2,259 2,260 1,264 2,267 2,268 2,270 794,271 16.499,272 16.499,273 16.499,274 16.499,275 16.499,276 14.981,277 16.067,278 9.818,279 16.842,280 13.371,281 13.371,282 13.371,283 13.371,284 13.371,285 10.984,286 21.363,287 4.686,288 13.96,289 3.974,290 1.983,291 1.043,292 0.685,293 0.565,294 0.565,295 3.927,299 1,300 1,301 456,302 3,305 113.406,306 140.669,309 94.654,313 1.306,314 18.682,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 51,326 208,327 4.481,328 3.618,329 6.805,330 4.15,331 3.204,332 4.111,333 1.437,334 11.266,335 3.033,336 4.195,337 3.409,338 6.254,339 3.896,340 2.92,341 3.622,342 0.522,343 9.449,344 2.852,345 3.928,346 2.969,347 5.829,348 3.528,349 2.557,350 3.33,352 7.893,353 2.464,354 3.543,355 2.313,356 5.255,357 3.247,358 2.291,359 2.768,361 6.425,362 2.186,363 3.186,364 2.234,365 5.093,366 2.901,367 1.949,368 2.28,370 5.782,371 1.837,372 2.86,373 1.995,374 4.432,375 2.499,376 1.529,377 1.9,379 4.339,380 1.478,381 2.698,382 1.685,383 3.916,384 2.401,385 1.441,386 1.715,388 3.262,389 1.361,390 2.574,391 1.427,392 3.769,393 2.212,394 1.218,395 1.526,397 2.875,398 1.19,399 2.368,400 1.164,401 3.479,402 2.031,403 1.101,404 1.353,406 2.523,407 1.018,408 2.118,409 1,410 3.247,411 2,412 1,413 1,415 2.136,416 1,417 2,418 0.618,419 3.141,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.778,427 0.543,428 3.067,429 1.316,430 0.393,431 0.523,433 1.026,434 0.352,435 1.399,436 0.369,437 3,438 1.134,439 0.19,440 0.224,442 0.545,443 0.179,444 0.617,445 0.293,446 2.367,447 0.337,448 -0.65,449 -0.717,451 -1.736,452 -0.621,453 0.413,454 -0.461,455 2.271,456 0.144,457 -0.83,458 -0.876,460 -2,461 -0.795,462 11.8,463 0.492,464 0.538,465 0.022,466 26.25,467 1.094,468 11,469 0.458,470 15.25,471 0.635,472 24.681,473 1.028,474 26,475 0.565,476 15.608,477 0.65,478 4.328,479 0.18,480 7.392,481 0.308,482 0.056,484 0.331,487 0.764,488 1.178,489 0.775,490 0.944,491 0.648,492 0.941,493 0.518,494 0.992,495 0.855,496 0.931,497 0.323,498 0.992,499 0.575,500 1.102,501 1.08,502 1.157,503 0.498,504 1.074,505 0.988,506 0.965,507 1.115,508 1.007,509 0.907,510 0.952,511 0.895,512 1.1,513 1.279,514 1.188,515 0.788,516 1.024,517 0.802,518 1.115,519 1.183,520 1.194,521 0.671,522 1.089,523 0.496,524 1.124,525 1.002,526 1.121,527 0.388,528 1.174,529 0.646,530 0.931,531 0.728,532 0.866,533 0.752,534 1.032,535 4,536 0.077,537 2.444,538 1.819,539 0.959,540 0.834,541 0.493,542 0.214,543 0.227,544 0.125,545 6085,546 15036,547 2.161,548 47.8,549 12,550 3,551 1,552 2,553 1,554 2,555 1,558 1.675,559 2.057,560 3.084,561 -0.342,563 1,567 71.266,568 1.549,569 3.541,570 4.481,571 4.839,572 4.958,573 4.958,574 2.527,575 4.002,576 4.556,577 3.248,578 896.466,579 7.894,580 10237.9,582 1,584 1,585 254.084,586 1.281,587 4.532,588 0.148,589 0.009,590 0.064,591 0.051,592 0.026,593 0.022,594 0.015,595 0.009,596 0.013,597 0.009,598 0.365,599 0.17,600 1,601 0.681,602 111.898,603 -0.04,604 -0.056,605 0.068,606 0.06,607 -0.003,608 0.05,609 0.166,610 0.099,611 0.05,612 0.068,613 0.235,614 -0.003,615 0.024,616 -0.099,617 -0.019,618 -0.08,619 0.038,620 -0.049,621 -0.084,622 0.042,623 0.004,624 0.064,625 -0.056,626 0.048,627 -0.059,628 -0.05,629 -0.052,630 -0.036,631 -0.024,632 -0.009,633 -0.029,634 -0.075,635 -0.099,636 -0.148,637 -0.029,638 -0.098,639 -0.01,640 -0.156,641 -0.158,642 -0.196,643 -0.02,644 -0.179,645 0.14,646 -0.033,647 0.002,648 -0.058,649 -0.004,650 -0.073,651 2.452,652 4.262,653 0.833,654 18.014,655 0.995,656 1.119,657 3.321,658 11.027,659 0.678,660 3.332,661 3.664,662 3.97,663 4.277,664 4.477,665 4.635,666 4.82,667 4.913,668 4.934,669 4.949,670 5.329,671 0.629,672 342.5,673 3.332,674 4.875,675 5.74,676 6.629,677 7.516,678 8.415,679 9.31,680 10.214,681 11.113,682 12.019,683 4.3,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 46,726 12,728 27,730 49,731 19,733 7,736 3,739 4,740 5,748 7,749 1,751 8,753 10,754 9,755 1,756 2,761 1,763 1,765 2,769 1,772 22,773 3,774 1,775 5,776 1,778 1,779 2,784 0.75,785 2,801 2,802 2,805 1,818 1,822 1,823 1,830 1,832 3,834 1,840 24,845 1,846 7,850 2,856 1,862 4.3,864 1,865 1,869 11.667,870 8.017,871 5.222,872 3.106,874 1.873,875 1.262,876 0.975,877 4.577,878 9.013,879 3.555,880 4.103,881 4.647,882 5.199,883 5.526,884 5.949,885 6.373,886 6.684,887 6.855,888 7.055,889 0.833,890 36,891 8.937,893 3.901,894 7.639,895 17.665,897 15.506,899 2.139,900 51.333,903 1,904 247.193,905 104.683,906 18.685,908 67.828,910 31.278,911 73.405,912 315.021,913 18.685,915 17.742,916 28,917 117.684,918 17.318,919 14.488,920 243.158,922 247.193,923 92.09,924 67.828,925 31.278,927 235.422,928 79.599,931 37.307,932 28.521,933 26.262,934 31.278,935 247.193,936 86.513,937 104.683,940 247.193,941 59.017,942 47.565,944 84.614,945 247.193,946 86.513,947 104.683,949 0.58,950 0.341,951 0.192,952 0.102,953 20,954 8,955 0.082,956 4,957 1,958 1.1,959 3.604,960 205.775,961 0.1,962 20,963 106.039,964 1,968 16.075,969 6.833,970 3.243,972 84.614,973 8.07,974 4.259,977 1.863,978 3.795,979 2.245,980 42.683,981 438.389,982 34,987 11.262,989 1.868,991 -0.254,994 45.771,995 51.487,996 0.28,997 0.641,998 0.811,999 0.876,1000 0.898,1001 0.898,1002 4.808,1003 1.218,1004 5.72,1005 3.262,1006 4.344,1007 4.787,1008 1.736,1009 6.55,1010 4.26,1011 5.988,1012 1.101,1013 7.284,1014 2.875,1015 3.892,1016 4.511,1018 7.483,1019 3.76,1020 7.287,1021 1,1022 8.952,1023 2.523,1024 5.943,1025 6.883,1026 2.269,1027 10.619,1028 5.78,1029 8.621,1030 0.618,1031 10.684,1032 2.136,1033 6.365,1034 7.504,1036 12.426,1037 6.14,1038 9.992,1039 0.393,1040 12.456,1041 1.372,1042 7.85,1043 9.288,1044 2.925,1045 15.062,1046 7.604,1047 11.386,1048 0.19,1049 14.257,1050 1.026,1051 8.663,1052 10.312,1054 17.218,1055 8.35,1056 12.798,1057 -0.65,1058 16.078,1059 0.545,1060 9.931,1061 11.861,1062 3.619,1063 19.695,1064 9.591,1065 3.204,1066 -0.83,1067 17.915,1068 -1.736,1069 10.921,1070 13.076,1072 21.996,1073 10.518,1074 2.92,1075 11.266,1076 19.762,1077 -2,1078 12.105,1079 14.528,1080 4.33,1081 24.421,1082 11.666,1083 2.557,1084 9.449,1085 21.62,1086 4.111,1087 13.178,1088 15.835,1090 26.784,1091 12.678,1092 2.291,1093 7.893,1094 23.484,1095 3.622,1096 14.331,1097 17.249,1098 5.047,1099 29.196,1100 13.789,1101 1.949,1102 6.425,1103 25.355,1104 3.33,1105 15.442,1106 18.602,1108 31.586,1109 14.841,1110 1.529,1111 5.782,1112 27.232,1113 2.768,1114 16.587,1115 20.003,1116 5.769,1117 33.996,1118 15.938,1119 1.441,1120 4.339,1121 29.113,1122 2.28,1123 17.717,1124 21.38,1126 36.399,1127 17.01,1128 5784,1129 9228,1130 18.493,1131 31.182,1132 41.515,1133 41.362,1134 41.385,1135 40.795,1136 40.82,1137 50.558,1138 3.916,1139 117.786,1140 39.054,1141 5.481,1142 5.618,1143 6.607,1144 5.28,1145 5.204,1146 6.855,1147 2.873,1148 18.295,1149 5.033,1150 8.906,1151 1.538,1152 1.532,1153 1.533,1154 1.511,1155 1.512,1156 1.873,1157 0.145,1158 4.362,1159 1.446,1160 4.075,1161 4.107,1162 4.29,1163 4.06,1164 7.475,1165 4.011,1166 3.898,1167 3.935,1168 3.861,1169 3.787,1170 6.351,1171 3.782,1172 3.783,1173 3.848,1174 3.657,1175 3.617,1176 4.959,1177 3.627,1178 3.521,1179 3.527,1180 3.609,1181 3.444,1182 4.662,1183 3.417,1184 3.221,1185 3.261,1186 3.091,1187 3.045,1188 4.253,1189 3.039,1190 3.111,1191 3.206,1192 2.947,1193 2.945,1194 4.007,1195 2.929,1196 3.105,1197 3.177,1198 2.866,1199 2.941,1200 3.619,1201 2.91,1202 2.805,1203 2.842,1204 2.85,1205 2.597,1206 3.554,1207 2.598,1208 0.166,1209 0.134,1210 0.252,1211 0.154,1212 0.119,1213 4.481,1214 0.152,1215 3.618,1216 0.053,1217 6.805,1218 0.417,1219 4.15,1220 0.112,1221 3.204,1222 4.111,1223 1.437,1224 11.266,1225 3.033,1226 1.918,1227 1.871,1228 2.115,1229 2.052,1230 1.526,1231 2.076,1232 1.858,1233 1.836,1234 1.98,1235 1.95,1236 1.276,1237 1.964,1238 1.607,1239 1.563,1240 1.745,1241 1.779,1242 1.083,1243 1.783,1244 1.332,1245 1.283,1246 1.513,1247 1.527,1248 0.825,1249 1.521,1250 1.236,1251 1.196,1252 1.506,1253 1.441,1254 0.682,1255 1.431,1256 1.182,1257 1.168,1258 1.426,1259 1.404,1260 0.59,1261 1.429,1262 1.153,1263 1.064,1264 1.372,1265 1.376,1266 0.461,1267 1.381,1268 1.089,1269 1.009,1270 1.297,1271 1.295,1272 0.413,1273 1.335,1274 4.007,1276 5.333,1277 3.045,1278 6.849,1279 5.283,1280 8.454,1281 7.298,1282 10.109,1289 9.257,1290 7.983,1294 0.987,1300 28.928,1301 71.266,1302 162.865,1303 206.11,1304 222.574,1305 228.084,1306 228.084,1307 37.548,1308 7.14,1309 55.12,1310 83.36,1311 22,1312 12.539,1313 3.7,1314 3,1315 33.622,1316 75,1317 76,1318 0.221,1319 178.599,1320 308.27,1321 427.542,1322 10101,1324 16.518,1325 0.688,1326 0.603,1327 16.872,1328 14.466,1329 11.72,1330 0.434,1331 0.355,1332 8.76,1333 10.956,1334 8.53,1335 7.014,1336 12.129,1337 9.577,1338 10.589,1339 0.279,1340 0.211,1341 11.231,1342 8.023,1343 9.017,1344 0.173,1345 0.127,1346 9.808,1347 6.602,1348 7.772,1349 0.109,1350 0.077,1351 8.703,1352 5.456,1353 5.999,1354 0.069,1355 0.048,1356 6.876,1357 4.133,1358 0.334,1359 76.634,1360 0.233,1361 22.951,1362 0.643,1363 130,1364 328.036,1365 163.909,1366 339.961,1367 464.26,1368 318,1369 155,1370 323.691,1371 186.675,1372 344.404,1373 506.29,1374 325,1375 5} {0 CHEMBL23062,1 1.693,2 8.632,3 2.419,4 5.853,5 76.381,6 8.314,7 0.476,8 3.614,9 3.71,10 3.334,11 3.237,12 4.742,13 3.187,14 4.134,15 4.286,16 3.722,17 3.663,18 5.313,19 3.571,20 4.325,21 4.514,22 3.581,23 3.726,24 5.285,25 3.569,26 4.363,27 4.566,28 3.489,29 3.63,30 5.369,31 3.464,32 4.181,33 4.404,34 3.456,35 3.419,36 5.203,37 3.273,38 3.929,39 4.125,40 3.26,41 3.27,42 4.975,43 3.141,44 3.89,45 4.138,46 2.868,47 3.052,48 4.811,49 2.944,50 3.683,51 3.894,52 2.716,53 2.864,54 4.764,55 2.786,56 0.039,57 0.476,58 6.299,59 3.223,60 7.803,61 3.707,62 0.223,63 0.807,64 12.745,65 5.59,66 32.22,67 6.62,68 0.146,69 0.924,70 20.186,71 8.003,72 21.218,73 9.278,74 0.254,75 0.918,76 22.615,77 8.089,78 39.858,79 9.196,80 0.255,81 0.761,82 20.109,83 6.702,84 30.96,85 7.562,86 0.09,87 0.619,88 14.58,89 5.285,90 13.174,91 6.224,92 0.154,93 0.567,94 12.208,95 4.187,96 20.867,97 5.432,98 0.144,99 0.439,100 8.56,101 3.169,102 24.064,103 3.957,104 6,105 29,106 0.314,107 0.709,108 0.837,109 0.891,110 0.891,111 0.891,112 3.01,113 1.007,114 -3.33,115 -3.32,116 -3.18,118 42.4,120 3,124 1,133 1,134 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 10,181 2,186 2,191 2,194 7,195 1,198 4,203 1,206 4,207 2,210 3,215 2,218 2,219 1,222 5,227 1,230 1,234 4,239 1,247 2,248 1,258 1,259 2,262 1,270 397,271 12.878,272 12.878,273 12.878,274 12.878,275 12.878,276 11.311,277 13.273,278 7.645,279 13.244,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 7.922,286 9.087,287 3.668,288 11.001,289 3.352,290 1.223,291 0.531,292 0.242,293 0.242,294 0.242,295 3.688,298 1,299 1,300 1,301 354,302 2.739,305 91.207,306 48.898,309 73.735,313 1.546,314 16.582,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 164,327 4.411,328 3.617,329 6.303,330 3.994,331 3.041,332 4.069,333 1.437,334 9.665,335 2.908,336 3.996,337 3.118,338 5.844,339 3.606,340 2.633,341 3.481,343 7.975,344 2.546,345 3.912,346 2.679,347 5.376,348 3.45,349 2.525,350 3.351,352 7.043,353 2.327,354 3.33,355 2.397,356 5.08,357 2.986,358 2.036,359 2.537,361 6.053,362 1.911,363 2.859,364 2.041,365 4.432,366 2.464,367 1.524,368 1.899,370 4.338,371 1.41,372 2.679,373 1.678,374 3.788,375 2.269,376 1.301,377 1.719,379 2.94,380 1.248,381 2.617,382 1.342,383 3.511,384 2.164,385 1.202,386 1.564,388 2.733,389 1.141,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.782,400 0.567,401 3,402 1.43,403 0.468,404 0.562,406 1.111,407 0.446,408 1.685,409 0.498,410 2.964,411 1.302,412 0.39,413 0.515,415 1.016,416 0.348,417 0.652,418 0.366,419 2.335,420 0.365,421 -0.586,422 -0.663,424 -1.664,425 -0.546,426 0.469,427 -0.318,428 2.193,429 0.154,430 -0.83,431 -0.943,433 -2,434 -0.797,435 0.374,436 -0.651,437 2,438 -0.01,439 -0.963,440 -1.173,442 -2.278,443 -0.88,444 0.299,445 -0.662,446 1.572,447 -0.032,448 -1,449 -1.377,451 -2.744,452 -0.978,453 -0.024,454 -1.297,455 1.495,456 -0.465,457 -1.41,458 -1.707,460 -3.535,461 -1.317,462 9.3,463 0.489,464 0.452,465 0.024,466 23.25,467 1.224,468 11,469 0.579,470 12.25,471 0.645,472 14.719,473 0.775,474 20.1,475 0.609,476 13.279,477 0.699,478 4.399,479 0.232,480 4.821,481 0.254,482 0.072,484 0.312,487 0.788,488 1.171,489 0.72,490 0.877,491 0.673,492 0.863,493 0.565,494 0.828,495 0.824,496 0.797,497 0.351,498 0.863,499 0.687,500 1.082,501 1.27,502 1.266,503 0.624,504 1.192,505 1.094,506 1.112,507 1.324,508 1.263,509 1.18,510 1.196,511 1.004,512 0.954,513 1.074,514 1.087,515 1.061,516 0.94,517 0.646,518 1.274,519 1.162,520 1.34,521 0.597,522 1.097,523 0.922,524 0.966,525 0.806,526 0.82,527 0.789,528 0.915,529 1.37,530 0.997,531 0.773,532 0.783,533 1.431,534 0.999,535 4,536 0.046,537 1.778,538 1.076,539 0.858,540 0.372,541 0.389,542 0.125,543 0.076,544 0.08,545 3565,546 10890,547 2.113,548 42.4,549 4,550 4,551 1,552 2,553 1,554 2,558 1.597,559 2,560 3.124,561 -0.249,563 1,565 1,567 55.859,568 1.693,569 3.821,570 4.514,571 4.802,572 4.802,573 4.802,574 2.576,575 3.471,576 4.217,577 3.279,578 560.64,579 7.156,580 5567.63,581 1,582 1,584 1,585 166.465,586 1.324,587 4.189,588 0.19,589 0.008,590 0.061,591 0.045,592 0.043,593 0.021,594 0.023,595 0.01,596 0.007,597 0.01,598 0.417,599 0.5,600 1,601 0.789,602 83.303,603 -0.075,604 -0.102,605 0.053,606 0.053,607 -0.044,608 0.037,609 0.146,610 0.255,611 0.067,612 0.168,613 0.232,614 0.066,615 -0.052,616 -0.092,617 -0.184,618 -0.169,619 -0.014,620 -0.175,621 -0.133,622 -0.165,623 -0.19,624 -0.171,625 -0.162,626 -0.185,627 -0.014,628 0.006,629 0.114,630 0.014,631 -0.056,632 0.083,633 0.076,634 -0.297,635 -0.007,636 -0.219,637 0.101,638 -0.068,639 -0.078,640 -0.024,641 -0.003,642 0.007,643 -0.046,644 0.051,645 -0.215,646 -0.091,647 -0.098,648 -0.032,649 -0.227,650 -0.087,651 2.459,652 3.978,653 0.737,654 15.036,655 1.007,656 1.116,657 2.102,658 4.418,659 0.701,660 3.091,661 3.401,662 3.638,663 3.871,664 3.989,665 4.078,666 4.205,667 4.29,668 4.159,669 4.159,670 5.303,671 0.661,672 274.37,673 3.091,674 4.615,675 5.451,676 6.315,677 7.171,678 8.039,679 8.904,680 9.775,681 10.644,682 11.518,683 6.1,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 33,726 12,728 21,730 35,731 14,733 7,736 3,739 3,740 4,748 2,751 3,753 10,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 14,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,822 1,823 1,830 1,832 2,834 1,840 19,845 1,846 4,856 1,862 6.1,864 1,865 1,869 9.5,870 5.85,871 4.139,872 1.986,874 2.138,875 1.325,876 0.977,877 3.513,878 8.713,879 3.367,880 3.942,881 4.469,882 4.978,883 5.205,884 5.515,885 5.865,886 6.201,887 6.188,888 6.426,889 0.833,890 24,891 7.019,893 3,894 7.825,895 13.484,897 11.269,899 2.325,900 44.167,901 0.001,904 153.024,905 96.651,906 18.685,908 67.828,910 31.278,911 65.373,912 220.853,913 18.685,915 9.709,916 28,917 117.684,918 17.318,919 14.488,920 148.989,922 153.024,923 84.058,924 67.828,925 31.278,927 153.024,928 67.828,931 29.274,932 28.521,933 26.262,934 31.278,935 153.024,936 86.513,937 96.651,940 153.024,941 50.985,942 47.565,944 84.614,945 153.024,946 86.513,947 96.651,949 0.581,950 0.329,951 0.169,952 0.083,953 15,954 6,955 0.114,956 4,957 1,958 1.143,959 3.274,960 136.418,961 0.143,962 14,963 80.711,964 1,968 12.61,969 5.294,970 2.786,972 84.614,973 7.763,974 4.02,977 1.705,978 3.71,979 2.053,980 42.683,981 336.188,982 28,987 10.978,989 1.826,991 -0.269,994 33.236,995 36.827,996 0.336,997 0.758,998 0.895,999 0.952,1000 0.952,1001 0.952,1002 4.59,1003 0.618,1004 5.425,1005 2.733,1006 4.078,1007 4.625,1008 1.635,1009 6.192,1010 3.97,1011 5.789,1012 0.468,1013 6.956,1014 1.372,1015 3.611,1016 4.369,1018 6.974,1019 3.451,1020 7.087,1021 0.39,1022 8.581,1023 1.111,1024 5.631,1025 6.764,1026 2.253,1027 10.029,1028 5.43,1029 8.421,1030 -0.586,1031 10.262,1032 1.016,1033 5.994,1034 7.372,1036 11.634,1037 5.734,1038 9.785,1039 -0.83,1040 11.977,1041 -1.664,1042 7.458,1043 9.174,1044 2.922,1045 14.171,1046 7.169,1047 11.17,1048 -0.963,1049 13.715,1050 -2,1051 8.196,1052 10.177,1054 16.128,1055 7.85,1056 12.571,1057 -1,1058 15.47,1059 -2.278,1060 9.436,1061 11.734,1062 3.619,1063 18.483,1064 9.062,1065 3.041,1066 -1.41,1067 17.238,1068 -2.744,1069 10.354,1070 12.93,1072 20.602,1073 9.925,1074 2.633,1075 9.665,1076 19.015,1077 -3.535,1078 11.501,1079 14.383,1080 4.33,1081 22.89,1082 11.042,1083 2.525,1084 7.975,1085 20.8,1086 4.069,1087 12.508,1088 15.675,1090 25.084,1091 11.997,1092 2.036,1093 7.043,1094 22.591,1095 3.481,1096 13.618,1097 17.085,1098 5.047,1099 27.35,1100 13.073,1101 1.524,1102 6.053,1103 24.387,1104 3.351,1105 14.669,1106 18.425,1108 29.58,1109 14.076,1110 1.301,1111 4.338,1112 26.189,1113 2.537,1114 15.768,1115 19.82,1116 5.769,1117 31.841,1118 15.137,1119 1.202,1120 2.94,1121 27.994,1122 1.899,1123 16.842,1124 21.186,1126 34.088,1127 16.165,1128 3453,1129 6124,1130 14.216,1131 23.137,1132 32.11,1133 31.87,1134 31.643,1135 31.487,1136 31.477,1137 41.248,1138 2.873,1139 88.493,1140 29.724,1141 5.293,1142 5.554,1143 5.933,1144 5.112,1145 5.041,1146 6.812,1147 2.873,1148 16.051,1149 4.908,1150 7.587,1151 1.529,1152 1.518,1153 1.507,1154 1.499,1155 1.499,1156 1.964,1157 0.137,1158 4.214,1159 1.415,1160 4.031,1161 4.056,1162 4.278,1163 4.04,1164 7.475,1165 3.983,1166 3.896,1167 3.95,1168 3.847,1169 3.698,1170 6.351,1171 3.725,1172 3.57,1173 3.588,1174 3.604,1175 3.479,1176 4.955,1177 3.462,1178 3.261,1179 3.298,1180 3.144,1181 3.066,1182 4.669,1183 3.072,1184 3.067,1185 3.132,1186 3.041,1187 2.945,1188 4.074,1189 2.894,1190 2.82,1191 2.852,1192 2.724,1193 2.554,1194 3.757,1195 2.594,1196 2.526,1197 2.625,1198 2.373,1199 2.336,1200 3.533,1201 2.319,1202 2.431,1203 2.54,1204 2.304,1205 2.219,1206 3.349,1207 2.197,1208 0.21,1209 0.172,1210 0.3,1211 0.19,1212 0.145,1213 4.411,1214 0.194,1215 3.617,1216 0.068,1217 6.303,1218 0.46,1219 3.994,1220 0.138,1221 3.041,1222 4.069,1223 1.437,1224 9.665,1225 2.908,1226 1.859,1227 1.837,1228 1.99,1229 1.955,1230 1.282,1231 1.968,1232 1.712,1233 1.666,1234 1.871,1235 1.891,1236 1.183,1237 1.896,1238 1.407,1239 1.368,1240 1.539,1241 1.552,1242 0.687,1243 1.561,1244 1.289,1245 1.228,1246 1.448,1247 1.521,1248 0.496,1249 1.505,1250 1.16,1251 1.157,1252 1.329,1253 1.402,1254 0.484,1255 1.375,1256 1,1257 0.94,1258 1.227,1259 1.138,1260 0.367,1261 1.191,1262 0.825,1263 0.766,1264 0.993,1265 1.075,1266 0.184,1267 1.095,1268 0.539,1269 0.501,1270 0.876,1271 0.815,1273 0.871,1274 3.761,1276 5.069,1277 3.045,1278 6.547,1279 5.283,1280 8.105,1281 7.273,1282 9.711,1289 9.025,1290 3.355,1300 21.82,1301 55.859,1302 126.1,1303 148.955,1304 158.465,1305 158.465,1306 158.465,1307 26.521,1308 6.575,1309 55.12,1310 83.36,1311 16,1312 12.06,1313 3.7,1314 3,1315 27.996,1316 61,1317 49,1318 0.233,1319 138.031,1320 234.13,1321 328.555,1322 5540,1324 13.242,1325 0.697,1326 0.589,1327 13.596,1328 11.19,1329 9.22,1330 0.439,1331 0.336,1332 6.231,1333 8.43,1334 6.035,1335 4.952,1336 9.629,1337 7.05,1338 8.403,1339 0.29,1340 0.2,1341 9.071,1342 5.796,1343 6.853,1344 0.185,1345 0.122,1346 7.607,1347 4.496,1348 5.526,1349 0.118,1350 0.073,1351 6.372,1352 3.439,1353 3.997,1354 0.075,1355 0.046,1356 4.806,1357 2.45,1358 0.365,1359 61.672,1360 0.265,1361 19.243,1362 0.636,1363 100,1364 298.036,1365 133.576,1366 309.152,1367 415.06,1368 288,1369 116,1370 281.339,1371 145.06,1372 301.559,1373 436.84,1374 283,1375 5} {0 CHEMBL23088,1 1.663,2 8.632,3 2.037,4 4.151,5 75.453,6 7.897,7 0.476,8 3.663,9 3.768,10 3.34,11 3.266,12 4.734,13 3.208,14 4.22,15 4.384,16 3.733,17 3.714,18 5.308,19 3.609,20 4.47,21 4.675,22 3.606,23 3.806,24 5.357,25 3.632,26 4.502,27 4.721,28 3.467,29 3.702,30 5.469,31 3.524,32 4.272,33 4.513,34 3.372,35 3.476,36 5.254,37 3.315,38 4.06,39 4.273,40 3.424,41 3.331,42 5.062,43 3.189,44 3.969,45 4.244,46 2.876,47 3.109,48 4.743,49 2.969,50 3.776,51 3.999,52 2.733,53 2.927,54 4.782,55 2.834,56 0.029,57 0.514,58 7.452,59 3.562,60 7.128,61 4.299,62 0.217,63 0.879,64 15.069,65 6.343,66 36.013,67 7.849,68 0.185,69 1.041,70 24.936,71 9.316,72 28.059,73 11.028,74 0.295,75 1.017,76 27.658,77 9.232,78 44.504,79 10.856,80 0.198,81 0.801,82 19.384,83 6.913,84 30.953,85 8.534,86 0.17,87 0.679,88 18.359,89 5.914,90 19.589,91 7,92 0.13,93 0.609,94 14.48,95 4.677,96 14.29,97 6.34,98 0.143,99 0.476,100 9.752,101 3.4,102 22.687,103 4.508,104 6,105 29,106 0.307,107 0.667,108 0.843,109 0.893,110 0.893,111 0.893,112 3.01,113 1.047,114 -3.41,115 -3.4,116 -3.25,118 40,120 4,121 1,124 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 10,181 2,186 2,191 2,194 7,195 2,198 5,203 2,206 4,207 1,210 2,215 1,218 2,219 1,222 5,227 1,230 1,234 4,239 1,247 2,248 1,258 1,259 2,262 1,270 397,271 12.878,272 12.878,273 12.878,274 12.878,275 12.878,276 11.48,277 15.045,278 7.645,279 13.244,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 8.228,286 13.87,287 3.668,288 11.005,289 3.466,290 1.509,291 0.557,292 0.286,293 0.286,294 0.286,295 3.688,298 1,299 1,300 1,301 354,302 2.739,305 91.207,306 48.898,309 73.735,313 1.546,314 16.894,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 164,327 4.361,328 3.736,329 6.303,330 3.997,331 3.041,332 4.008,333 2.341,334 9.665,335 2.919,336 3.925,337 3.181,338 5.844,339 3.6,340 2.633,341 3.478,343 7.975,344 2.525,345 3.838,346 2.685,347 5.376,348 3.449,349 2.525,350 3.021,352 7.043,353 2.325,354 3.328,355 2.386,356 5.08,357 2.987,358 2.036,359 2.536,361 6.053,362 1.915,363 2.767,364 1.963,365 4.432,366 2.481,367 1.524,368 1.83,370 4.338,371 1.445,372 2.661,373 1.777,374 3.788,375 2.257,376 1.301,377 1.713,379 2.94,380 1.226,381 2.51,382 1.345,383 3.511,384 2.164,385 1.202,386 1.437,388 2.733,389 1.142,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.693,400 0.608,401 3,402 1.416,403 0.468,404 0.557,406 1.111,407 0.437,408 1.63,409 0.494,410 2.964,411 1.309,412 0.39,413 0.47,415 1.016,416 0.352,417 0.621,418 0.375,419 2.335,420 0.388,421 -0.586,422 -0.651,424 -1.664,425 -0.559,426 0.467,427 -0.231,428 2.193,429 0.104,430 -0.83,431 -0.938,433 -2,434 -0.75,435 0.306,436 -0.476,437 2,438 0.018,439 -0.963,440 -1.087,442 -2.278,443 -0.938,444 0.216,445 -0.747,446 1.572,447 -0.024,448 -1,449 -1.351,451 -2.744,452 -0.975,453 -0.039,454 -1.221,455 1.495,456 -0.468,457 -1.41,458 -1.678,460 -3.535,461 -1.288,462 9.3,463 0.489,464 0.452,465 0.024,466 21.75,467 1.145,468 9.5,469 0.5,470 12.25,471 0.645,472 16.252,473 0.855,474 20.7,475 0.591,476 11.746,477 0.618,478 3.892,479 0.205,480 5.328,481 0.28,482 0.072,484 0.312,487 0.782,488 1.225,489 0.745,490 0.928,491 0.659,492 0.921,493 0.545,494 0.898,495 0.838,496 0.858,497 0.363,498 0.935,499 0.813,500 1.088,501 1.318,502 1.278,503 0.803,504 1.194,505 1.179,506 1.11,507 1.399,508 1.296,509 1.266,510 1.185,511 1.006,512 0.913,513 0.911,514 0.897,515 0.983,516 0.927,517 0.769,518 1.201,519 1.057,520 1.296,521 0.872,522 1.015,523 0.637,524 0.962,525 0.855,526 0.886,527 0.406,528 0.871,529 1.352,530 1.01,531 0.795,532 0.801,533 1.373,534 1.017,535 4,536 0.046,537 1.778,538 1.076,539 0.858,540 0.372,541 0.389,542 0.125,543 0.076,544 0.08,545 3565,546 10407,547 2.113,548 45.7,549 4,550 3,551 1,552 2,553 1,554 5,558 1.597,559 2,560 3.124,561 -0.249,563 1,565 1,567 58.222,568 1.663,569 3.62,570 4.572,571 4.844,572 4.844,573 4.844,574 2.576,575 3.471,576 4.217,577 3.279,578 560.64,579 7.156,580 5567.63,581 1,582 1,584 1,585 179.525,586 1.324,587 4.189,588 0.19,589 0.008,590 0.061,591 0.045,592 0.043,593 0.021,594 0.023,595 0.01,596 0.007,597 0.01,598 0.417,599 0.5,600 1,601 0.789,602 83.303,603 -0.064,604 -0.105,605 0.06,606 0.052,607 -0.021,608 0.037,609 0.149,610 0.204,611 0.058,612 0.13,613 0.206,614 0.031,615 -0.086,616 -0.089,617 -0.201,618 -0.158,619 -0.076,620 -0.17,621 -0.155,622 -0.163,623 -0.244,624 -0.194,625 -0.163,626 -0.179,627 -0.064,628 0.014,629 0.08,630 0.083,631 -0.021,632 0.064,633 0.12,634 -0.219,635 0.176,636 -0.135,637 0.031,638 0.013,639 0.013,640 -0.004,641 0.035,642 0.001,643 0.056,644 0.109,645 -0.211,646 -0.088,647 -0.119,648 -0.055,649 -0.211,650 -0.113,651 2.322,652 4.045,653 0.737,654 15.036,655 1.003,656 1.121,657 2.184,658 4.772,659 0.683,660 3.091,661 3.401,662 3.638,663 3.871,664 3.989,665 4.078,666 4.205,667 4.29,668 4.159,669 4.159,670 5.303,671 0.638,672 276.39,673 3.091,674 4.615,675 5.451,676 6.315,677 7.171,678 8.039,679 8.904,680 9.775,681 10.644,682 11.518,683 5.7,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 35,726 11,728 21,730 37,731 14,733 7,739 3,740 4,748 3,749 1,751 4,753 8,754 6,755 1,756 1,761 1,765 1,768 1,769 1,772 16,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,830 1,832 2,834 1,840 19,845 1,846 5,850 1,856 1,862 5.7,864 1,865 1,869 9.5,870 6.1,871 4.139,872 2.174,874 1.776,875 1.27,876 0.96,877 3.691,878 8.351,879 3.332,880 3.882,881 4.36,882 4.853,883 4.968,884 5.21,885 5.538,886 5.886,887 5.958,888 6.152,889 0.833,890 24,891 7.049,893 3.033,894 7.781,895 13.685,897 11.658,899 2.281,900 43.333,901 0.001,904 176.567,905 86.523,906 18.685,908 67.828,910 31.278,911 55.246,912 244.395,913 18.685,915 12.244,916 18.524,917 117.684,918 14.132,919 14.488,920 172.531,922 176.567,923 73.93,924 67.828,925 31.278,927 176.567,928 67.828,931 31.809,932 25.336,933 16.786,934 31.278,935 176.567,936 86.513,937 86.523,940 176.567,941 50.334,942 38.089,944 84.614,945 176.567,946 86.513,947 86.523,949 0.581,950 0.329,951 0.169,952 0.083,953 15,954 6,955 0.108,956 4,957 1,958 1.143,959 3.274,960 136.418,961 0.143,962 14,963 80.711,964 1,968 12.857,969 5.454,970 2.889,972 84.614,973 7.783,974 4.03,977 1.844,978 3.993,979 2.068,980 42.683,981 349.603,982 27,987 11.045,991 -0.656,994 35.12,995 39.242,996 0.324,997 0.706,998 0.891,999 0.944,1000 0.944,1001 0.944,1002 4.559,1003 0.618,1004 5.425,1005 2.733,1006 4.078,1007 4.564,1008 2.258,1009 6.192,1010 3.97,1011 5.739,1012 0.468,1013 6.956,1014 1.372,1015 3.611,1016 4.29,1017 2.243,1018 6.974,1019 3.451,1020 7.026,1021 0.39,1022 8.581,1023 1.111,1024 5.631,1025 6.654,1026 3.628,1027 10.029,1028 5.43,1029 8.346,1030 -0.586,1031 10.262,1032 1.016,1033 5.994,1034 7.25,1035 4.112,1036 11.634,1037 5.734,1038 9.698,1039 -0.83,1040 11.977,1041 -1.664,1042 7.458,1043 9.029,1044 5.201,1045 14.171,1046 7.171,1047 11.07,1048 -0.963,1049 13.715,1050 -2,1051 8.196,1052 10.024,1053 5.889,1054 16.128,1055 7.853,1056 12.459,1057 -1,1058 15.47,1059 -2.278,1060 9.436,1061 11.564,1062 6.849,1063 18.483,1064 9.067,1065 3.041,1066 -1.41,1067 17.238,1068 -2.744,1069 10.354,1070 12.754,1071 7.625,1072 20.602,1073 9.935,1074 2.633,1075 9.665,1076 19.015,1077 -3.535,1078 11.501,1079 14.192,1080 8.526,1081 22.89,1082 11.054,1083 2.525,1084 7.975,1085 20.8,1086 4.008,1087 12.508,1088 15.478,1089 9.342,1090 25.084,1091 12.014,1092 2.036,1093 7.043,1094 22.591,1095 3.478,1096 13.618,1097 16.875,1098 10.216,1099 27.35,1100 13.094,1101 1.524,1102 6.053,1103 24.387,1104 3.021,1105 14.669,1106 18.207,1107 11.051,1108 29.58,1109 14.102,1110 1.301,1111 4.338,1112 26.189,1113 2.536,1114 15.768,1115 19.59,1116 11.912,1117 31.841,1118 15.167,1119 1.202,1120 2.94,1121 27.994,1122 1.83,1123 16.842,1124 20.946,1125 12.755,1126 34.088,1127 16.201,1128 3453,1129 5970,1130 14.216,1131 23.898,1132 31.949,1133 31.654,1134 31.643,1135 31.478,1136 31.477,1137 39.955,1138 4.682,1139 88.493,1140 29.724,1141 5.306,1142 5.591,1143 5.933,1144 5.114,1145 5.041,1146 6.652,1147 3.925,1148 16.051,1149 4.919,1150 7.587,1151 1.521,1152 1.507,1153 1.507,1154 1.499,1155 1.499,1156 1.903,1157 0.223,1158 4.214,1159 1.415,1160 4.031,1161 4.059,1162 4.272,1163 4.033,1164 7.474,1165 3.973,1166 3.895,1167 3.952,1168 3.846,1169 3.696,1170 6.351,1171 3.723,1172 3.589,1173 3.611,1174 3.608,1175 3.489,1176 4.955,1177 3.467,1178 3.265,1179 3.304,1180 3.138,1181 3.079,1182 4.622,1183 3.076,1184 3.119,1185 3.198,1186 2.949,1187 2.957,1188 3.973,1189 2.936,1190 2.878,1191 2.918,1192 2.905,1193 2.635,1194 3.727,1195 2.631,1196 2.541,1197 2.637,1198 2.349,1199 2.34,1200 3.46,1201 2.327,1202 2.451,1203 2.555,1204 2.309,1205 2.24,1206 3.349,1207 2.225,1208 0.208,1209 0.178,1210 0.3,1211 0.19,1212 0.145,1213 4.361,1214 0.191,1215 3.736,1216 0.111,1217 6.303,1218 0.46,1219 3.997,1220 0.139,1221 3.041,1222 4.008,1223 2.341,1224 9.665,1225 2.919,1226 1.865,1227 1.833,1228 2.024,1229 1.981,1230 1.398,1231 1.998,1232 1.711,1233 1.665,1234 1.876,1235 1.892,1236 1.188,1237 1.898,1238 1.404,1239 1.362,1240 1.556,1241 1.542,1242 0.794,1243 1.563,1244 1.286,1245 1.233,1246 1.476,1247 1.514,1248 0.628,1249 1.505,1250 1.233,1251 1.218,1252 1.398,1253 1.462,1254 0.583,1255 1.429,1256 1.073,1257 0.995,1258 1.305,1259 1.279,1260 0.394,1261 1.318,1262 0.769,1263 0.717,1264 1.028,1265 1.012,1266 0.206,1267 1.019,1268 0.654,1269 0.611,1270 0.914,1271 0.917,1273 0.992,1274 3.761,1276 5.069,1277 3.045,1278 6.547,1279 5.283,1280 8.105,1281 7.273,1282 9.711,1289 9.092,1290 4.325,1294 -0.191,1300 22.347,1301 58.222,1302 126.716,1303 160.015,1304 169.525,1305 169.525,1306 169.525,1307 28.919,1308 6.575,1309 55.12,1310 83.36,1311 16,1312 12.06,1313 3.585,1314 2.807,1315 27.996,1316 61,1317 49,1318 0.233,1319 140.958,1320 236.77,1321 335.698,1322 5540,1324 13.242,1325 0.697,1326 0.6,1327 13.596,1328 11.397,1329 9.22,1330 0.439,1331 0.349,1332 6.509,1333 8.43,1334 6.313,1335 5.163,1336 9.629,1337 7.328,1338 8.403,1339 0.29,1340 0.214,1341 9.071,1342 6.211,1343 6.853,1344 0.185,1345 0.134,1346 7.625,1347 4.956,1348 5.526,1349 0.118,1350 0.08,1351 6.324,1352 3.782,1353 3.997,1354 0.075,1355 0.054,1356 4.745,1357 2.848,1358 0.365,1359 61.672,1360 0.265,1361 19.243,1362 0.636,1363 100,1364 286.036,1365 133.576,1366 296.04,1367 395.69,1368 276,1369 116,1370 265.339,1371 145.06,1372 283.91,1373 410.07,1374 267,1375 5.991} {0 CHEMBL23168,1 1.604,2 8.667,3 3.575,4 12.783,5 96.063,6 8.411,7 0.593,8 3.806,9 3.898,10 3.533,11 3.472,12 4.956,13 3.425,14 4.309,15 4.439,16 3.93,17 3.899,18 5.493,19 3.819,20 4.538,21 4.706,22 3.929,23 4.014,24 5.523,25 3.884,26 4.624,27 4.807,28 3.981,29 4.033,30 5.66,31 3.905,32 4.571,33 4.742,34 4.002,35 4.024,36 5.665,37 3.902,38 4.583,39 4.79,40 3.854,41 3.926,42 5.602,43 3.81,44 4.395,45 4.614,46 3.422,47 3.728,48 5.29,49 3.591,50 4.343,51 4.59,52 3.214,53 3.502,54 5.325,55 3.363,56 0.027,57 0.534,58 7.034,59 3.699,60 8.45,61 4.264,62 0.195,63 0.921,64 13.432,65 6.329,66 32.18,67 7.458,68 0.116,69 1.144,70 22.969,71 9.478,72 23.479,73 11.012,74 0.238,75 1.234,76 25.614,77 10.12,78 40.782,79 11.275,80 0.187,81 1.189,82 24.949,83 9.768,84 33.194,85 10.89,86 0.24,87 1.207,88 25.428,89 9.407,90 28.775,91 11.044,92 0.104,93 0.97,94 18.074,95 7.605,96 21.203,97 9.9,98 0.253,99 0.893,100 17.356,101 6.896,102 30.77,103 9.212,104 6,105 38,106 0.28,107 0.648,108 0.797,109 0.865,110 0.877,111 0.877,112 3.23,113 0.959,114 -4.32,115 -4.25,116 -4.01,118 47.5,120 2,126 1,133 1,134 1,140 6,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 11,169 1,171 1,172 2,175 1,177 1,180 14,181 2,186 6,191 2,194 11,195 2,198 6,203 2,206 7,207 1,210 8,215 1,218 8,219 1,222 6,227 1,229 10,234 3,235 1,242 9,243 1,246 1,247 3,250 1,252 1,255 6,256 2,259 2,260 1,264 2,267 2,268 2,270 794,271 16.499,272 16.499,273 16.499,274 16.499,275 16.499,276 14.255,277 17.518,278 9.818,279 16.842,280 13.371,281 13.371,282 13.371,283 13.371,284 13.371,285 9.984,286 20.513,287 4.686,288 13.96,289 3.718,290 1.608,291 0.757,292 0.369,293 0.3,294 0.3,295 3.927,298 1,299 1,300 1,301 456,302 3,305 113.406,306 140.669,309 94.654,313 1.306,314 18.364,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 51,326 208,327 4.5,328 3.62,329 6.805,330 4.15,331 3.204,332 4.13,333 1.437,334 11.266,335 3.033,336 4.239,337 3.528,338 6.254,339 3.896,340 2.92,341 3.73,342 1.152,343 9.449,344 2.852,345 3.939,346 2.995,347 5.829,348 3.528,349 2.557,350 3.33,352 7.893,353 2.464,354 3.747,355 2.354,356 5.255,357 3.247,358 2.291,359 3.312,361 6.425,362 2.186,363 3.328,364 2.242,365 5.093,366 2.901,367 1.949,368 2.593,370 5.782,371 1.837,372 2.901,373 1.995,374 4.432,375 2.499,376 1.529,377 2.031,379 4.339,380 1.478,381 2.838,382 1.69,383 3.916,384 2.401,385 1.441,386 1.896,388 3.262,389 1.361,390 2.643,391 1.481,392 3.769,393 2.212,394 1.218,395 1.622,397 2.875,398 1.19,399 2.539,400 1.168,401 3.479,402 2.031,403 1.101,404 1.516,406 2.523,407 1.018,408 2.5,409 1,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.118,418 0.618,419 3.141,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.778,427 0.544,428 3.067,429 1.316,430 0.393,431 0.523,433 1.026,434 0.352,435 1.525,436 0.372,437 3,438 1.134,439 0.19,440 0.248,442 0.545,443 0.179,444 0.652,445 0.347,446 2.367,447 0.337,448 -0.65,449 -0.744,451 -1.736,452 -0.621,453 0.572,454 -0.425,455 2.271,456 0.144,457 -0.83,458 -1.033,460 -2,461 -0.795,462 11.8,463 0.492,464 0.538,465 0.022,466 32.25,467 1.344,468 17,469 0.708,470 15.25,471 0.635,472 18.706,473 0.779,474 24.2,475 0.605,476 21.583,477 0.899,478 6.276,479 0.261,480 5.445,481 0.227,482 0.056,484 0.331,487 0.772,488 1.055,489 0.706,490 0.823,491 0.688,492 0.805,493 0.558,494 0.888,495 0.84,496 0.84,497 0.387,498 0.89,499 0.652,500 1.16,501 1.239,502 1.269,503 0.621,504 1.142,505 1.121,506 0.986,507 1.192,508 1.032,509 1.079,510 0.982,511 0.943,512 1.102,513 1.253,514 1.167,515 0.882,516 1.016,517 0.808,518 1.046,519 1.065,520 1.098,521 0.716,522 1.015,523 0.497,524 1.108,525 0.958,526 1.09,527 0.43,528 1.18,529 0.725,530 0.931,531 0.753,532 0.873,533 0.874,534 1.075,535 4,536 0.077,537 2.444,538 1.819,539 0.959,540 0.834,541 0.493,542 0.214,543 0.227,544 0.125,545 6085,546 17643,547 2.161,548 40,549 2,550 8,551 1,552 2,553 1,554 2,558 1.675,559 2.057,560 3.084,561 -0.342,563 1,565 1,567 64.167,568 1.604,569 3.713,570 4.565,571 4.953,572 5.022,573 5.022,574 2.527,575 4.002,576 4.556,577 3.248,578 896.466,579 7.894,580 10237.9,581 1,582 1,583 1,584 1,585 212.877,586 1.281,587 4.532,588 0.148,589 0.009,590 0.064,591 0.051,592 0.026,593 0.022,594 0.015,595 0.009,596 0.013,597 0.009,598 0.365,599 0.17,600 1,601 0.681,602 111.898,603 -0.062,604 -0.054,605 0.052,606 0.061,607 -0.062,608 0.046,609 0.153,610 0.154,611 0.025,612 0.089,613 0.198,614 -0.004,615 -0.014,616 -0.174,617 -0.127,618 -0.18,619 -0.016,620 -0.149,621 -0.147,622 0.018,623 -0.06,624 0.044,625 -0.124,626 0.002,627 -0.079,628 -0.09,629 -0.064,630 -0.048,631 -0.046,632 -0.029,633 -0.014,634 -0.031,635 -0.023,636 -0.088,637 -0.022,638 -0.024,639 0.002,640 -0.163,641 -0.146,642 -0.198,643 -0.025,644 -0.179,645 0.146,646 -0.004,647 0.008,648 -0.04,649 -0.023,650 -0.069,651 2.484,652 4.236,653 0.833,654 18.014,655 1.003,656 1.106,657 3.088,658 9.534,659 0.722,660 3.332,661 3.664,662 3.97,663 4.277,664 4.477,665 4.635,666 4.82,667 4.913,668 4.934,669 4.949,670 5.329,671 0.684,672 336.44,673 3.332,674 4.875,675 5.74,676 6.629,677 7.516,678 8.415,679 9.31,680 10.214,681 11.113,682 12.019,683 5,691 1,693 1,699 9,700 1,703 1,704 4,705 1,706 16,724 40,726 18,727 1,728 27,730 43,731 19,733 13,734 1,735 5,736 3,739 4,740 5,748 2,751 3,753 16,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 16,773 3,774 1,775 5,776 1,778 1,779 2,784 0.75,785 2,801 2,802 2,805 1,818 1,822 1,823 1,830 1,832 3,834 1,840 24,845 1,846 2,850 1,856 1,862 5,864 1,865 1,869 11.667,870 7.1,871 5.222,872 2.356,874 2.44,875 1.342,876 1.001,877 4.069,878 9.581,879 3.638,880 4.234,881 4.812,882 5.399,883 5.806,884 6.177,885 6.662,886 7.041,887 7.292,888 7.565,889 0.833,890 36,891 8.863,893 3.848,894 7.757,895 17.027,897 14.442,899 2.257,900 54.167,903 1,904 176.567,905 142.577,906 18.685,908 67.828,910 31.278,911 111.3,912 244.395,913 18.685,915 5.069,916 75.381,917 117.684,918 20.503,919 14.488,920 172.531,922 176.567,923 129.984,924 67.828,925 31.278,927 176.567,928 67.828,931 24.634,932 79.088,933 26.262,934 31.278,935 176.567,936 86.513,937 142.577,940 176.567,941 49.53,942 94.946,944 84.614,945 176.567,946 86.513,947 142.577,949 0.58,950 0.341,951 0.192,952 0.102,953 20,954 8,955 0.093,956 4,957 1,958 1.1,959 3.604,960 205.775,961 0.1,962 20,963 106.039,964 1,968 15.34,969 6.366,970 2.974,972 84.614,973 18.013,974 4.189,977 1.764,978 4.694,979 2.092,980 42.683,981 405.657,982 37,987 11.236,989 1.817,991 -0.326,994 40.12,995 44.242,996 0.301,997 0.698,998 0.858,999 0.931,1000 0.944,1001 0.944,1002 4.868,1003 1.218,1004 5.72,1005 3.262,1006 4.344,1007 4.92,1008 1.966,1009 6.55,1010 4.26,1011 6.073,1012 1.101,1013 7.284,1014 2.875,1015 3.892,1016 4.59,1017 0.747,1018 7.483,1019 3.76,1020 7.376,1021 1,1022 8.952,1023 2.523,1024 5.943,1025 7.072,1026 2.446,1027 10.619,1028 5.78,1029 8.716,1030 0.618,1031 10.684,1032 2.136,1033 6.365,1034 7.611,1035 1.051,1036 12.426,1037 6.14,1038 10.089,1039 0.393,1040 12.456,1041 1.372,1042 7.85,1043 9.489,1044 3.046,1045 15.062,1046 7.604,1047 11.485,1048 0.19,1049 14.257,1050 1.026,1051 8.663,1052 10.436,1053 1.287,1054 17.218,1055 8.35,1056 12.898,1057 -0.65,1058 16.078,1059 0.545,1060 9.931,1061 12.054,1062 3.7,1063 19.695,1064 9.591,1065 3.204,1066 -0.83,1067 17.915,1068 -1.736,1069 10.921,1070 13.21,1071 1.514,1072 21.996,1073 10.518,1074 2.92,1075 11.266,1076 19.762,1077 -2,1078 12.105,1079 14.707,1080 4.383,1081 24.421,1082 11.666,1083 2.557,1084 9.449,1085 21.62,1086 4.13,1087 13.178,1088 15.974,1089 1.747,1090 26.784,1091 12.678,1092 2.291,1093 7.893,1094 23.484,1095 3.73,1096 14.331,1097 17.415,1098 5.082,1099 29.196,1100 13.789,1101 1.949,1102 6.425,1103 25.355,1104 3.33,1105 15.442,1106 18.742,1107 1.988,1108 31.586,1109 14.841,1110 1.529,1111 5.782,1112 27.232,1113 3.312,1114 16.587,1115 20.159,1116 5.791,1117 33.996,1118 15.938,1119 1.441,1120 4.339,1121 29.113,1122 2.593,1123 17.717,1124 21.52,1125 2.237,1126 36.399,1127 17.01,1128 5784,1129 9947,1130 18.493,1131 28.898,1132 41.563,1133 41.29,1134 41.385,1135 40.795,1136 40.82,1137 54.717,1138 5.178,1139 117.786,1140 39.054,1141 5.381,1142 5.62,1143 6.607,1144 5.28,1145 5.204,1146 7.13,1147 2.873,1148 18.295,1149 5.033,1150 8.906,1151 1.539,1152 1.529,1153 1.533,1154 1.511,1155 1.512,1156 2.027,1157 0.192,1158 4.362,1159 1.446,1160 4.079,1161 4.105,1162 4.291,1163 4.066,1164 7.475,1165 4.021,1166 3.905,1167 3.936,1168 3.888,1169 3.837,1170 6.351,1171 3.827,1172 3.792,1173 3.841,1174 3.723,1175 3.631,1176 4.97,1177 3.653,1178 3.517,1179 3.518,1180 3.609,1181 3.442,1182 4.743,1183 3.416,1184 3.193,1185 3.229,1186 3.072,1187 2.997,1188 4.638,1189 3.001,1190 2.983,1191 3.043,1192 2.879,1193 2.871,1194 4.03,1195 2.857,1196 2.854,1197 2.925,1198 2.838,1199 2.735,1200 3.689,1201 2.715,1202 2.777,1203 2.802,1204 2.687,1205 2.566,1206 3.674,1207 2.569,1208 0.167,1209 0.134,1210 0.252,1211 0.154,1212 0.119,1213 4.5,1214 0.153,1215 3.62,1216 0.053,1217 6.805,1218 0.417,1219 4.15,1220 0.112,1221 3.204,1222 4.13,1223 1.437,1224 11.266,1225 3.033,1226 1.934,1227 1.907,1228 2.044,1229 2.021,1230 1.276,1231 2.031,1232 1.858,1233 1.837,1234 1.978,1235 1.949,1236 1.218,1237 1.963,1238 1.584,1239 1.549,1240 1.691,1241 1.74,1242 0.871,1243 1.739,1244 1.331,1245 1.283,1246 1.496,1247 1.526,1248 0.6,1249 1.519,1250 1.234,1251 1.194,1252 1.408,1253 1.441,1254 0.463,1255 1.43,1256 1.182,1257 1.164,1258 1.299,1259 1.397,1260 0.441,1261 1.377,1262 0.958,1263 0.903,1264 1.181,1265 1.094,1266 0.277,1267 1.142,1268 0.886,1269 0.821,1270 1.149,1271 1.062,1272 0.218,1273 1.107,1274 4.007,1276 5.333,1277 3.045,1278 6.849,1279 5.283,1280 8.454,1281 7.298,1282 10.109,1289 9.231,1290 1.396,1294 0.061,1300 27.347,1301 64.167,1302 148.538,1303 182.612,1304 198.122,1305 200.877,1306 200.877,1307 34.551,1308 7.14,1309 55.12,1310 83.36,1311 22,1312 12.539,1313 4.248,1314 3.459,1315 33.622,1316 75,1317 76,1318 0.221,1319 169.817,1320 289.45,1321 406.113,1322 10101,1324 16.518,1325 0.688,1326 0.572,1327 16.872,1328 13.74,1329 11.72,1330 0.434,1331 0.32,1332 7.809,1333 10.956,1334 7.579,1335 6.239,1336 12.129,1337 8.627,1338 10.589,1339 0.279,1340 0.184,1341 11.231,1342 6.993,1343 9.017,1344 0.173,1345 0.107,1346 9.808,1347 5.557,1348 7.772,1349 0.109,1350 0.062,1351 8.703,1352 4.414,1353 5.999,1354 0.069,1355 0.036,1356 6.876,1357 3.165,1358 0.334,1359 76.634,1360 0.233,1361 22.951,1362 0.643,1363 130,1364 360.036,1365 163.909,1366 374.37,1367 511.91,1368 350,1369 155,1370 358.691,1371 186.675,1372 382.141,1373 559.73,1374 360,1375 6.943} {0 CHEMBL23202,1 1.693,2 8.632,3 1.998,4 3.992,5 76.329,6 8.314,7 0.476,8 3.614,9 3.71,10 3.334,11 3.237,12 4.742,13 3.187,14 4.134,15 4.286,16 3.722,17 3.663,18 5.313,19 3.571,20 4.326,21 4.513,22 3.585,23 3.732,24 5.287,25 3.571,26 4.352,27 4.55,28 3.441,29 3.616,30 5.363,31 3.458,32 4.178,33 4.405,34 3.357,35 3.413,36 5.218,37 3.274,38 3.995,39 4.196,40 3.418,41 3.293,42 5.05,43 3.161,44 3.858,45 4.113,46 2.864,47 3.054,48 4.707,49 2.931,50 3.661,51 3.864,52 2.715,53 2.856,54 4.755,55 2.782,56 0.039,57 0.476,58 6.299,59 3.223,60 7.803,61 3.707,62 0.223,63 0.807,64 12.745,65 5.59,66 32.216,67 6.62,68 0.151,69 0.932,70 21.201,71 8.211,72 21.048,73 9.353,74 0.253,75 0.908,76 22.747,77 8,78 39.085,79 9.049,80 0.203,81 0.743,82 16.271,83 6.154,84 32.397,85 7.433,86 0.175,87 0.65,88 17.033,89 5.664,90 20.037,91 6.394,92 0.121,93 0.565,94 12.816,95 4.339,96 14.096,97 5.622,98 0.14,99 0.431,100 8.19,101 3.066,102 23.482,103 3.798,104 6,105 29,106 0.314,107 0.697,108 0.837,109 0.891,110 0.891,111 0.891,112 3.01,113 1.007,114 -3.33,115 -3.32,116 -3.18,118 42.4,120 3,124 1,133 1,134 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 10,181 2,186 2,191 2,194 7,195 2,198 5,203 2,206 4,207 1,210 2,215 1,218 2,219 1,222 5,227 1,230 1,234 4,239 1,247 2,248 1,258 1,259 2,262 1,270 397,271 12.878,272 12.878,273 12.878,274 12.878,275 12.878,276 11.311,277 13.273,278 7.645,279 13.244,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 7.922,286 9.087,287 3.668,288 11.005,289 3.352,290 1.284,291 0.531,292 0.242,293 0.242,294 0.242,295 3.688,298 1,299 1,300 1,301 354,302 2.739,305 91.207,306 48.898,309 73.735,313 1.546,314 16.396,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 164,327 4.411,328 3.617,329 6.303,330 3.997,331 3.041,332 4.069,333 1.437,334 9.665,335 2.919,336 3.996,337 3.118,338 5.844,339 3.6,340 2.633,341 3.481,343 7.975,344 2.525,345 3.912,346 2.679,347 5.376,348 3.449,349 2.525,350 3.351,352 7.043,353 2.325,354 3.33,355 2.397,356 5.08,357 2.987,358 2.036,359 2.537,361 6.053,362 1.915,363 2.859,364 2.041,365 4.432,366 2.481,367 1.524,368 1.899,370 4.338,371 1.445,372 2.679,373 1.678,374 3.788,375 2.257,376 1.301,377 1.719,379 2.94,380 1.226,381 2.617,382 1.342,383 3.511,384 2.164,385 1.202,386 1.564,388 2.733,389 1.142,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.782,400 0.567,401 3,402 1.416,403 0.468,404 0.562,406 1.111,407 0.437,408 1.685,409 0.498,410 2.964,411 1.309,412 0.39,413 0.515,415 1.016,416 0.352,417 0.652,418 0.366,419 2.335,420 0.388,421 -0.586,422 -0.663,424 -1.664,425 -0.559,426 0.469,427 -0.318,428 2.193,429 0.104,430 -0.83,431 -0.943,433 -2,434 -0.75,435 0.374,436 -0.651,437 2,438 0.018,439 -0.963,440 -1.173,442 -2.278,443 -0.938,444 0.299,445 -0.662,446 1.572,447 -0.024,448 -1,449 -1.377,451 -2.744,452 -0.975,453 -0.024,454 -1.297,455 1.495,456 -0.468,457 -1.41,458 -1.707,460 -3.535,461 -1.288,462 9.3,463 0.489,464 0.452,465 0.024,466 23.25,467 1.224,468 11,469 0.579,470 12.25,471 0.645,472 14.726,473 0.775,474 20.1,475 0.609,476 13.272,477 0.699,478 4.399,479 0.232,480 4.821,481 0.254,482 0.072,484 0.312,487 0.788,488 1.171,489 0.72,490 0.877,491 0.673,492 0.863,493 0.565,494 0.828,495 0.824,496 0.797,497 0.35,498 0.863,499 0.697,500 1.102,501 1.376,502 1.336,503 0.627,504 1.208,505 1.115,506 1.143,507 1.397,508 1.325,509 1.193,510 1.225,511 1.058,512 0.889,513 0.83,514 0.826,515 1.05,516 0.92,517 0.791,518 1.2,519 1.09,520 1.317,521 0.909,522 1.023,523 0.638,524 1.019,525 0.902,526 0.949,527 0.431,528 0.926,529 1.407,530 1.024,531 0.794,532 0.804,533 1.469,534 1.026,535 4,536 0.046,537 1.778,538 1.076,539 0.858,540 0.372,541 0.389,542 0.125,543 0.076,544 0.08,545 3565,546 10944,547 2.113,548 42.4,549 2,550 4,551 1,552 2,553 1,554 4,558 1.597,559 2,560 3.124,561 -0.249,563 1,565 1,567 55.859,568 1.693,569 3.761,570 4.514,571 4.802,572 4.802,573 4.802,574 2.576,575 3.471,576 4.217,577 3.279,578 560.64,579 7.156,580 5567.63,581 1,582 1,584 1,585 166.465,586 1.324,587 4.189,588 0.19,589 0.008,590 0.061,591 0.045,592 0.043,593 0.021,594 0.023,595 0.01,596 0.007,597 0.01,598 0.417,599 0.5,600 1,601 0.789,602 83.303,603 -0.075,604 -0.102,605 0.053,606 0.053,607 -0.044,608 0.037,609 0.146,610 0.255,611 0.067,612 0.168,613 0.233,614 0.066,615 -0.059,616 -0.1,617 -0.222,618 -0.193,619 -0.017,620 -0.183,621 -0.146,622 -0.193,623 -0.263,624 -0.232,625 -0.166,626 -0.219,627 -0.084,628 0.03,629 0.108,630 0.115,631 -0.048,632 0.07,633 0.111,634 -0.226,635 0.169,636 -0.149,637 0.008,638 0.012,639 0.011,640 -0.051,641 0.005,642 -0.042,643 0.053,644 0.074,645 -0.233,646 -0.112,647 -0.129,648 -0.057,649 -0.243,650 -0.123,651 2.461,652 3.977,653 0.737,654 15.036,655 1.007,656 1.116,657 2.102,658 4.418,659 0.701,660 3.091,661 3.401,662 3.638,663 3.871,664 3.989,665 4.078,666 4.205,667 4.29,668 4.159,669 4.159,670 5.303,671 0.661,672 274.37,673 3.091,674 4.615,675 5.451,676 6.315,677 7.171,678 8.039,679 8.904,680 9.775,681 10.644,682 11.518,683 6.1,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 33,726 12,728 21,730 35,731 14,733 7,736 3,739 3,740 4,748 2,751 3,753 10,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 14,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,822 1,823 1,830 1,832 2,834 1,840 19,845 1,846 4,856 1,862 6.1,864 1,865 1,869 9.5,870 5.85,871 4.139,872 1.986,874 2.138,875 1.325,876 0.977,877 3.513,878 8.713,879 3.367,880 3.942,881 4.469,882 4.978,883 5.205,884 5.515,885 5.865,886 6.201,887 6.188,888 6.426,889 0.833,890 24,891 7.018,893 3,894 7.825,895 13.484,897 11.269,899 2.325,900 44.167,901 0.001,904 153.024,905 96.651,906 18.685,908 67.828,910 31.278,911 65.373,912 220.853,913 18.685,915 9.709,916 28,917 117.684,918 17.318,919 14.488,920 148.989,922 153.024,923 84.058,924 67.828,925 31.278,927 153.024,928 67.828,931 29.274,932 28.521,933 26.262,934 31.278,935 153.024,936 86.513,937 96.651,940 153.024,941 50.985,942 47.565,944 84.614,945 153.024,946 86.513,947 96.651,949 0.581,950 0.329,951 0.169,952 0.083,953 15,954 6,955 0.114,956 4,957 1,958 1.143,959 3.274,960 136.418,961 0.143,962 14,963 80.711,964 1,968 12.61,969 5.294,970 2.786,972 84.614,973 7.673,974 4.02,977 1.8,978 3.71,979 2.053,980 42.683,981 336.188,982 28,987 10.977,989 1.818,991 -0.275,994 33.236,995 36.827,996 0.336,997 0.746,998 0.895,999 0.952,1000 0.952,1001 0.952,1002 4.59,1003 0.618,1004 5.425,1005 2.733,1006 4.078,1007 4.625,1008 1.635,1009 6.192,1010 3.97,1011 5.789,1012 0.468,1013 6.956,1014 1.372,1015 3.611,1016 4.369,1018 6.974,1019 3.451,1020 7.087,1021 0.39,1022 8.581,1023 1.111,1024 5.631,1025 6.764,1026 2.253,1027 10.029,1028 5.43,1029 8.421,1030 -0.586,1031 10.262,1032 1.016,1033 5.994,1034 7.372,1036 11.634,1037 5.734,1038 9.785,1039 -0.83,1040 11.977,1041 -1.664,1042 7.458,1043 9.174,1044 2.922,1045 14.171,1046 7.171,1047 11.17,1048 -0.963,1049 13.715,1050 -2,1051 8.196,1052 10.177,1054 16.128,1055 7.853,1056 12.571,1057 -1,1058 15.47,1059 -2.278,1060 9.436,1061 11.734,1062 3.619,1063 18.483,1064 9.067,1065 3.041,1066 -1.41,1067 17.238,1068 -2.744,1069 10.354,1070 12.93,1072 20.602,1073 9.935,1074 2.633,1075 9.665,1076 19.015,1077 -3.535,1078 11.501,1079 14.383,1080 4.33,1081 22.89,1082 11.054,1083 2.525,1084 7.975,1085 20.8,1086 4.069,1087 12.508,1088 15.675,1090 25.084,1091 12.014,1092 2.036,1093 7.043,1094 22.591,1095 3.481,1096 13.618,1097 17.085,1098 5.047,1099 27.35,1100 13.094,1101 1.524,1102 6.053,1103 24.387,1104 3.351,1105 14.669,1106 18.425,1108 29.58,1109 14.102,1110 1.301,1111 4.338,1112 26.189,1113 2.537,1114 15.768,1115 19.82,1116 5.769,1117 31.841,1118 15.167,1119 1.202,1120 2.94,1121 27.994,1122 1.899,1123 16.842,1124 21.186,1126 34.088,1127 16.201,1128 3453,1129 6133,1130 14.216,1131 23.137,1132 32.11,1133 31.87,1134 31.643,1135 31.478,1136 31.477,1137 41.248,1138 2.873,1139 88.493,1140 29.724,1141 5.293,1142 5.554,1143 5.933,1144 5.114,1145 5.041,1146 6.812,1147 2.873,1148 16.051,1149 4.919,1150 7.587,1151 1.529,1152 1.518,1153 1.507,1154 1.499,1155 1.499,1156 1.964,1157 0.137,1158 4.214,1159 1.415,1160 4.032,1161 4.056,1162 4.276,1163 4.04,1164 7.475,1165 3.983,1166 3.896,1167 3.95,1168 3.847,1169 3.698,1170 6.351,1171 3.725,1172 3.566,1173 3.585,1174 3.62,1175 3.482,1176 4.955,1177 3.46,1178 3.258,1179 3.288,1180 3.136,1181 3.071,1182 4.673,1183 3.068,1184 3.094,1185 3.168,1186 2.948,1187 2.93,1188 4.064,1189 2.913,1190 2.787,1191 2.813,1192 2.849,1193 2.563,1194 3.743,1195 2.567,1196 2.526,1197 2.624,1198 2.33,1199 2.336,1200 3.554,1201 2.32,1202 2.435,1203 2.542,1204 2.281,1205 2.219,1206 3.349,1207 2.206,1208 0.21,1209 0.172,1210 0.3,1211 0.19,1212 0.145,1213 4.411,1214 0.194,1215 3.617,1216 0.068,1217 6.303,1218 0.46,1219 3.997,1220 0.139,1221 3.041,1222 4.069,1223 1.437,1224 9.665,1225 2.919,1226 1.86,1227 1.838,1228 1.983,1229 1.954,1230 1.276,1231 1.966,1232 1.711,1233 1.665,1234 1.874,1235 1.891,1236 1.187,1237 1.897,1238 1.399,1239 1.359,1240 1.543,1241 1.536,1242 0.7,1243 1.556,1244 1.284,1245 1.217,1246 1.451,1247 1.506,1248 0.514,1249 1.501,1250 1.184,1251 1.189,1252 1.33,1253 1.441,1254 0.458,1255 1.388,1256 1.025,1257 0.953,1258 1.252,1259 1.213,1260 0.367,1261 1.249,1262 0.759,1263 0.714,1264 0.953,1265 0.927,1266 0.179,1267 0.979,1268 0.57,1269 0.53,1270 0.882,1271 0.873,1273 0.919,1274 3.761,1276 5.069,1277 3.045,1278 6.547,1279 5.283,1280 8.105,1281 7.273,1282 9.711,1289 9.024,1290 3.367,1300 21.82,1301 55.859,1302 124.1,1303 148.955,1304 158.465,1305 158.465,1306 158.465,1307 26.479,1308 6.575,1309 55.12,1310 83.36,1311 16,1312 12.06,1313 3.7,1314 3,1315 27.996,1316 61,1317 49,1318 0.233,1319 138.031,1320 234.13,1321 328.555,1322 5540,1324 13.242,1325 0.697,1326 0.589,1327 13.596,1328 11.19,1329 9.22,1330 0.439,1331 0.336,1332 6.231,1333 8.43,1334 6.036,1335 4.95,1336 9.629,1337 7.05,1338 8.403,1339 0.29,1340 0.201,1341 9.071,1342 5.838,1343 6.853,1344 0.185,1345 0.123,1346 7.625,1347 4.565,1348 5.526,1349 0.118,1350 0.073,1351 6.324,1352 3.412,1353 3.997,1354 0.075,1355 0.046,1356 4.745,1357 2.461,1358 0.365,1359 61.672,1360 0.265,1361 19.243,1362 0.636,1363 100,1364 298.036,1365 133.576,1366 309.054,1367 415,1368 288,1369 116,1370 281.339,1371 145.06,1372 301.338,1373 436.21,1374 283,1375 7} {0 CHEMBL23257,1 1.585,2 8,3 3.457,4 11.954,5 89.593,6 7.535,7 0.417,8 3.823,9 3.934,10 3.451,11 3.425,12 4.9,13 3.36,14 4.375,15 4.55,16 3.89,17 3.877,18 5.455,19 3.782,20 4.627,21 4.799,22 3.898,23 4.052,24 5.567,25 3.898,26 4.89,27 5.153,28 4,29 4.128,30 5.769,31 3.957,32 4.707,33 4.881,34 3.879,35 4.087,36 5.739,37 3.91,38 4.772,39 5.056,40 3.589,41 3.857,42 5.618,43 3.684,44 4.322,45 4.558,46 3.19,47 3.587,48 5.132,49 3.422,50 4.465,51 4.768,52 2.998,53 3.435,54 5.28,55 3.231,56 0.026,57 0.598,58 9.364,59 4.307,60 8.662,61 5.397,62 0.223,63 1.017,64 18.468,65 7.555,66 36.831,67 9.651,68 0.097,69 1.286,70 26.64,71 10.592,72 23.812,73 13.162,74 0.37,75 1.54,76 38.195,77 13.071,78 48.741,79 16.4,80 0.174,81 1.385,82 34.753,83 12.44,84 34.795,85 14.421,86 0.332,87 1.326,88 31.71,89 10.288,90 39.28,91 14.208,92 0.072,93 0.868,94 17.17,95 7.125,96 18.088,97 9.866,98 0.281,99 0.902,100 21.736,101 7.637,102 35.677,103 10.908,104 30,105 36,106 0.279,107 0.641,108 0.777,109 0.794,110 0.794,111 0.794,112 3.148,113 1.027,114 -4.08,115 -4.03,116 -3.81,118 40.5,119 3,120 2,122 1,126 1,133 1,134 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 11,181 2,186 7,191 2,194 8,195 2,198 4,203 2,206 9,207 1,210 8,215 1,218 5,219 1,222 4,227 1,229 8,234 2,235 1,242 6,243 1,246 1,247 3,250 1,252 1,256 3,259 3,260 1,264 3,270 600,271 14.195,272 14.195,273 14.195,274 14.195,275 14.195,276 12.677,277 16.067,278 8.118,279 14.536,280 11.865,281 11.865,282 11.865,283 11.865,284 11.865,285 9.484,286 21.363,287 3.859,288 12.451,289 3.808,290 1.754,291 0.983,292 0.888,293 0.888,294 0.888,295 3.816,298 1,299 1,300 1,301 371,302 3.808,305 107.571,306 59.078,309 88.394,313 1.273,314 18.946,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 47,326 176,327 4.578,328 3.628,329 7.393,330 4.422,331 3.45,332 4.126,333 1.437,334 12.9,335 3.362,336 4.31,337 3.595,338 6.3,339 3.963,340 2.995,341 3.688,342 0.522,343 9.616,344 2.903,345 3.95,346 3.03,347 5.86,348 3.57,349 2.596,350 3.33,352 8.024,353 2.502,354 3.769,355 2.542,356 5.675,357 3.375,358 2.439,359 3.07,361 7.5,362 2.276,363 3.253,364 2.253,365 5.125,366 2.88,367 1.938,368 2.433,370 5.89,371 1.807,372 2.858,373 1.995,374 4.432,375 2.479,376 1.524,377 1.899,379 4.339,380 1.442,381 2.667,382 1.674,383 3.9,384 2.244,385 1.266,386 1.659,388 2.982,389 1.214,390 2.55,391 1.227,392 3.76,393 2.057,394 1.127,395 1.519,397 2.675,398 1.039,399 2.118,400 0.618,401 3.197,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.778,409 0.543,410 3.141,411 1.316,412 0.393,413 0.523,415 1.026,416 0.352,417 1.396,418 0.369,419 3,420 1.081,421 0.147,422 0.179,424 0.459,425 0.137,426 0.612,427 0.276,428 2.541,429 0.306,430 -0.674,431 -0.762,433 -1.927,434 -0.637,435 0.408,436 -0.486,437 2.315,438 0.059,439 -0.911,440 -1,442 -2,443 -0.865,444 0.343,445 -0.653,446 2.135,448 -1,449 -1,451 -2.687,452 -0.975,453 0.064,454 -1,455 2,457 -1,458 -1.075,460 -3,461 -1,462 10.8,463 0.491,464 0.813,465 0.037,466 24.75,467 1.125,468 11,469 0.5,470 13.75,471 0.625,472 22.747,473 1.034,474 24,475 0.571,476 15.482,477 0.704,478 4.325,479 0.197,480 6.034,481 0.274,482 0.201,483 0.046,484 0.315,487 0.78,488 1.22,489 0.779,490 0.96,491 0.724,492 0.957,493 0.517,494 0.824,495 0.735,496 0.753,497 0.328,498 0.776,499 0.647,500 1.394,501 1.286,502 1.432,503 0.615,504 1.344,505 0.971,506 0.699,507 0.962,508 0.763,509 0.827,510 0.732,511 0.87,512 1.496,513 1.787,514 1.739,515 0.855,516 1.421,517 0.771,518 0.902,519 0.813,520 0.883,521 0.657,522 0.944,523 0.432,524 1.19,525 0.863,526 1.119,527 0.417,528 1.239,529 0.605,530 0.867,531 0.638,532 0.79,533 0.764,534 0.945,535 6,536 0.04,537 2.889,538 2.382,539 1.318,540 1.314,541 0.423,542 0.317,543 0.247,544 0.055,545 4366,546 12051,547 2.006,548 47.6,549 11,550 3,551 1,552 2,553 1,554 2,558 1.65,559 1.821,560 2.967,561 -0.31,563 1,565 1,567 66.552,568 1.585,569 3.638,570 4.409,571 4.505,572 4.505,573 4.505,574 2.447,575 3.754,576 4.431,577 3.146,578 726.789,579 7.636,580 7750.97,581 1,582 1,584 1,585 226.477,586 1.742,587 4.35,588 0.25,589 0.01,590 0.08,591 0.072,592 0.037,593 0.041,594 0.018,595 0.018,596 0.019,597 0.005,598 0.55,599 0.33,600 1,601 1.003,602 99.113,603 -0.047,604 -0.09,605 0.062,606 0.045,607 -0.071,608 0.032,609 0.198,610 0.278,611 0.193,612 0.254,613 0.264,614 0.213,615 -0.034,616 -0.328,617 -0.213,618 -0.311,619 -0.044,620 -0.321,621 -0.079,622 0.289,623 0.151,624 0.283,625 -0.022,626 0.265,627 -0.096,628 -0.411,629 -0.409,630 -0.441,631 -0.084,632 -0.372,633 0.002,634 0.047,635 0.053,636 -0.014,637 -0.002,638 0.016,639 0.023,640 -0.249,641 -0.141,642 -0.246,643 -0.02,644 -0.243,645 0.198,646 -0.019,647 0.103,648 0.001,649 0.022,650 0.017,651 2.472,652 4.174,653 0.636,654 15.43,655 0.997,656 1.121,657 2.851,658 8.127,659 0.677,660 3.219,661 3.611,662 3.85,663 4.159,664 4.277,665 4.466,666 4.605,667 4.575,668 4.615,669 4.564,670 4.991,671 0.629,672 316.46,673 3.219,674 4.796,675 5.652,676 6.569,677 7.449,678 8.37,679 9.259,680 10.181,681 11.076,682 11.998,683 4.8,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 42,726 12,728 24,730 44,731 17,733 7,736 3,739 3,740 4,745 3,746 1,748 2,751 3,753 10,754 7,756 2,761 1,763 1,765 2,768 1,769 1,772 20,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,822 1,823 1,830 1,832 2,834 1,836 3,840 22,845 1,846 2,850 1,852 1,856 1,862 4.8,864 1,865 1,869 12.083,870 8.433,871 4.611,872 2.494,874 2.034,875 1.3,876 0.93,877 3.979,878 8.813,879 3.466,880 4.069,881 4.588,882 5.166,883 5.465,884 5.901,885 6.309,886 6.533,887 6.716,888 6.889,889 1,890 33,891 8.148,893 3.497,894 7.761,895 15.733,897 13.347,899 2.261,900 49.75,903 1,904 223.651,905 118.486,906 18.685,908 67.828,910 31.278,911 87.208,912 291.479,913 18.685,914 26.476,915 5.069,916 28,917 117.684,918 17.318,919 14.488,920 219.615,922 223.651,923 105.893,924 67.828,925 31.278,927 223.651,928 67.828,931 51.11,932 28.521,933 26.262,934 31.278,935 223.651,936 86.513,937 118.486,940 223.651,941 46.345,942 74.041,944 84.614,945 223.651,946 86.513,947 118.486,949 0.603,950 0.336,951 0.182,952 0.091,953 19,954 9,955 0.091,956 4,957 1,958 1.143,959 3.269,960 178.829,961 0.143,962 14,963 93.353,964 1,968 15.479,969 5.655,970 3.055,972 84.614,973 7.799,974 4.177,977 1.796,978 3.616,979 2.138,980 42.683,981 428.65,982 31,987 11.174,989 1.828,991 -0.299,994 41.887,995 47.072,996 0.294,997 0.675,998 0.818,999 0.835,1000 0.835,1001 0.835,1002 4.749,1003 1.127,1004 5.714,1005 2.982,1006 4.29,1007 4.754,1008 1.736,1009 6.613,1010 4.202,1011 5.996,1012 0.618,1013 7.338,1014 2.675,1015 4.205,1016 4.691,1018 7.874,1019 4.11,1020 7.338,1021 0.393,1022 9.074,1023 1.372,1024 6.023,1025 6.915,1026 2.269,1027 10.928,1028 5.873,1029 8.713,1030 0.147,1031 10.877,1032 1.026,1033 6.711,1034 7.628,1036 12.988,1037 6.553,1038 10.118,1039 -0.674,1040 12.723,1041 0.459,1042 8.097,1043 9.353,1044 2.925,1045 15.664,1046 7.901,1047 11.541,1048 -0.911,1049 14.599,1050 -1.927,1051 9.091,1052 10.413,1054 18.029,1055 8.882,1056 12.98,1057 -1,1058 16.498,1059 -2,1060 10.345,1061 11.939,1062 3.619,1063 20.608,1064 10.108,1065 3.45,1066 -1,1067 18.415,1068 -2.687,1069 11.467,1070 13.168,1072 23.089,1073 11.21,1074 2.995,1075 12.9,1076 20.346,1077 -3,1078 12.685,1079 14.611,1080 4.33,1081 25.645,1082 12.403,1083 2.596,1084 9.616,1085 22.289,1086 4.126,1087 13.86,1088 15.923,1090 28.171,1091 13.557,1092 2.439,1093 8.024,1094 24.242,1095 3.688,1096 15.073,1097 17.334,1098 5.047,1099 30.723,1100 14.746,1101 1.938,1102 7.5,1103 26.203,1104 3.33,1105 16.274,1106 18.689,1108 33.267,1109 15.924,1110 1.524,1111 5.89,1112 28.171,1113 3.07,1114 17.49,1115 20.09,1116 5.769,1117 35.82,1118 17.116,1119 1.266,1120 4.339,1121 30.144,1122 2.433,1123 18.704,1124 21.468,1126 38.371,1127 18.306,1128 4365,1129 7359,1130 15.315,1131 28.421,1132 38.037,1133 37.801,1134 37.565,1135 36.893,1136 36.984,1137 46.704,1138 3.916,1139 113.566,1140 35.225,1141 5.46,1142 5.565,1143 6.987,1144 5.553,1145 5.45,1146 6.869,1147 2.873,1148 20.594,1149 5.362,1150 12.662,1151 1.585,1152 1.575,1153 1.565,1154 1.537,1155 1.541,1156 1.946,1157 0.163,1158 4.732,1159 1.468,1160 4.068,1161 4.097,1162 4.29,1163 4.058,1164 7.475,1165 4.008,1166 3.886,1167 3.928,1168 3.854,1169 3.742,1170 6.351,1171 3.754,1172 3.654,1173 3.718,1174 3.614,1175 3.508,1176 4.961,1177 3.509,1178 3.49,1179 3.493,1180 3.491,1181 3.412,1182 4.664,1183 3.379,1184 3.174,1185 3.218,1186 3.042,1187 2.974,1188 4.292,1189 2.973,1190 2.874,1191 3.009,1192 2.854,1193 2.644,1194 3.979,1195 2.645,1196 2.874,1197 3.009,1198 2.578,1199 2.618,1200 3.554,1201 2.57,1202 2.834,1203 2.884,1204 2.499,1205 2.618,1206 3.497,1207 2.57,1208 0.191,1209 0.151,1210 0.308,1211 0.184,1212 0.144,1213 4.578,1214 0.172,1215 3.628,1216 0.06,1217 7.393,1218 0.537,1219 4.422,1220 0.14,1221 3.45,1222 4.126,1223 1.437,1224 12.9,1225 3.362,1226 1.866,1227 1.84,1228 2.028,1229 1.992,1230 1.328,1231 2.006,1232 1.84,1233 1.802,1234 1.975,1235 1.946,1236 1.276,1237 1.962,1238 1.453,1239 1.399,1240 1.635,1241 1.651,1242 0.82,1243 1.661,1244 1.328,1245 1.283,1246 1.491,1247 1.525,1248 0.596,1249 1.516,1250 1.231,1251 1.192,1252 1.417,1253 1.441,1254 0.469,1255 1.43,1256 1.182,1257 1.159,1258 1.417,1259 1.392,1260 0.469,1261 1.376,1262 0.934,1263 0.875,1264 1.404,1265 1.239,1266 0.462,1267 1.308,1268 0.934,1269 0.804,1270 1.298,1271 1.239,1272 0.421,1273 1.308,1274 3.892,1276 5.263,1277 3.045,1278 6.804,1279 5.283,1280 8.429,1281 7.298,1282 10.103,1284 6.651,1289 9.182,1290 1.437,1294 0.201,1296 0.049,1300 26.401,1301 66.552,1302 152.81,1303 185.193,1304 189.193,1305 189.193,1306 189.193,1307 38.866,1308 6.779,1309 55.12,1310 83.36,1311 16,1312 12.51,1313 3.7,1314 3,1315 34.29,1316 65,1317 64,1318 0.267,1319 166.808,1320 286.03,1321 398.771,1322 6326,1324 15.905,1325 0.723,1326 0.63,1327 16.259,1328 13.853,1329 10.359,1330 0.432,1331 0.342,1332 7.399,1333 9.596,1334 6.992,1335 5.855,1336 10.767,1337 8.216,1338 10.505,1339 0.292,1340 0.221,1341 11.147,1342 7.949,1343 7.75,1344 0.168,1345 0.114,1346 8.532,1347 5.262,1348 6.85,1349 0.109,1350 0.072,1351 7.856,1352 4.534,1353 4.772,1354 0.067,1355 0.041,1356 5.62,1357 2.911,1358 0.402,1359 68.467,1360 0.256,1361 21.17,1362 0.784,1363 120,1364 318.036,1365 153.909,1366 331.922,1367 448.68,1368 308,1369 142,1370 310.691,1371 173.841,1372 335.354,1373 488.94,1374 312,1375 5} {0 CHEMBL23509,1 1.706,2 7.833,3 2.146,4 4.604,5 71.007,6 8.199,7 0.5,8 3.586,9 3.686,10 3.297,11 3.197,12 4.688,13 3.144,14 4.133,15 4.288,16 3.7,17 3.647,18 5.277,19 3.55,20 4.373,21 4.572,22 3.637,23 3.723,24 5.283,25 3.563,26 4.44,27 4.689,28 3.422,29 3.644,30 5.289,31 3.466,32 4.232,33 4.471,34 3.278,35 3.456,36 5.095,37 3.302,38 4.158,39 4.374,40 3.207,41 3.278,42 5.266,43 3.161,44 3.87,45 4.115,46 2.952,47 2.98,48 4.922,49 2.833,50 3.346,51 3.544,52 2.47,53 2.477,54 4.598,55 2.409,56 0.039,57 0.474,58 6.407,59 3.204,60 7.802,61 3.733,62 0.225,63 0.812,64 13.113,65 5.684,66 33.465,67 6.823,68 0.184,69 0.958,70 22.112,71 8.317,72 21.938,73 9.873,74 0.244,75 0.983,76 24.699,77 8.551,78 29.73,79 10.543,80 0.158,81 0.813,82 20.101,83 6.854,84 20.628,85 8.638,86 0.278,87 0.698,88 15.614,89 5.381,90 48.122,91 6.336,92 0.248,93 0.533,94 15.312,95 4.434,96 35.319,97 5.117,98 0.214,99 0.301,100 7.394,101 2.296,102 21.094,103 2.716,104 6,105 28,106 0.321,107 0.713,108 0.869,109 0.893,110 0.893,111 0.893,112 2.96,113 1.027,114 -3.42,115 -3.4,116 -3.25,118 40.6,120 3,121 1,124 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,180 8,181 2,186 4,191 2,194 6,195 1,198 3,203 1,206 2,207 2,210 6,215 2,219 2,222 4,227 2,234 2,235 1,246 1,247 1,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.811,277 12.729,278 7.199,279 12.517,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.818,286 8.148,287 3.468,288 10.497,289 3.294,290 1.204,291 0.375,292 0.25,293 0.25,294 0.25,295 3.637,298 1,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 16.212,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 141,327 4.403,328 3.595,329 6.339,330 4.004,331 3.059,332 4.064,333 1.437,334 9.768,335 2.889,336 3.956,337 3.135,338 5.745,339 3.606,340 2.658,341 3.489,343 7.828,344 2.52,345 3.754,346 2.705,347 5.518,348 3.383,349 2.428,350 3.034,352 7.24,353 2.296,354 3.245,355 2.168,356 5.003,357 3.032,358 2.054,359 2.312,361 5.926,362 1.995,363 2.764,364 1.863,365 4.41,366 2.462,367 1.528,368 1.825,370 4.3,371 1.405,372 2.613,373 1.653,374 3.709,375 2.117,376 1.185,377 1.613,379 2.682,380 1.097,381 2.509,382 1.226,383 3.431,384 1.989,385 1.039,386 1.452,388 2.491,389 0.959,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.692,400 0.495,401 3,402 1.405,403 0.475,404 0.563,406 1.211,407 0.433,408 1,409 0.428,410 2.726,411 0.76,412 -0.178,413 -0.205,415 -0.512,416 -0.165,417 0.519,418 -0.045,419 2.25,420 0.196,421 -0.774,422 -0.852,424 -2,425 -0.728,426 0.34,427 -0.531,428 2,429 0.004,430 -0.96,431 -1.083,433 -2.203,434 -0.887,435 0.246,436 -0.733,437 1.868,438 -0.023,439 -1,440 -1.282,442 -2.666,443 -0.959,444 0.017,445 -1.157,446 1.384,447 -0.324,448 -1.274,449 -1.675,451 -3.496,452 -1.242,453 -0.118,454 -1.477,455 1.288,456 -0.561,457 -1.51,458 -1.761,460 -4.17,461 -1.394,462 8.8,463 0.489,464 0.452,465 0.025,466 21.25,467 1.181,468 9.5,469 0.528,470 11.75,471 0.653,472 14.714,473 0.817,474 19.4,475 0.606,476 11.482,477 0.638,478 3.817,479 0.212,480 4.904,481 0.272,482 0.076,484 0.33,487 0.786,488 1.208,489 0.724,490 0.896,491 0.661,492 0.886,493 0.55,494 0.857,495 0.824,496 0.819,497 0.331,498 0.895,499 0.559,500 1.165,501 1.126,502 1.314,503 0.537,504 1.223,505 0.735,506 0.959,507 1.086,508 1.063,509 0.626,510 1.033,511 0.58,512 1.144,513 1.08,514 1.215,515 0.532,516 1.093,517 1.606,518 0.987,519 0.952,520 0.847,521 1.748,522 1.032,523 1.47,524 0.839,525 1.162,526 0.892,527 1.523,528 0.807,529 1.405,530 0.889,531 1.016,532 0.828,533 1.841,534 0.912,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 9016,547 2.12,548 43.8,549 4,550 3,551 1,552 2,553 1,554 2,555 1,558 1.583,559 2,560 3.005,561 -0.225,563 1,564 1,565 1,567 54.591,568 1.706,569 3.796,570 4.625,571 4.75,572 4.75,573 4.75,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 160,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.076,604 -0.11,605 0.056,606 0.055,607 -0.03,608 0.039,609 0.142,610 0.238,611 0.059,612 0.154,613 0.241,614 0.049,615 0.047,616 -0.183,617 -0.069,618 -0.232,619 0.04,620 -0.198,621 -0.028,622 -0.018,623 -0.053,624 -0.05,625 0.008,626 -0.01,627 0.053,628 -0.196,629 -0.057,630 -0.197,631 0.02,632 -0.067,633 -0.278,634 -0.073,635 -0.092,636 0.004,637 -0.314,638 -0.116,639 -0.212,640 0.101,641 0.021,642 0.158,643 -0.216,644 0.179,645 0.126,646 0.047,647 -0.121,648 0.029,649 -0.203,650 -0.019,651 2.472,652 3.955,653 0.778,654 13.136,655 1.007,656 1.12,657 2.189,658 4.791,659 0.692,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.651,672 262.36,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 6.3,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,714 1,724 32,726 11,728 20,730 34,731 13,733 7,736 1,739 3,740 4,748 3,749 1,751 3,753 8,754 5,755 1,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 4,850 1,856 1,862 6.3,864 1,865 1,869 9,870 5.6,871 3.889,872 1.944,874 1.785,875 1.275,876 0.965,877 3.205,878 8.274,879 3.296,880 3.861,881 4.373,882 4.891,883 5.045,884 5.285,885 5.399,886 5.693,887 5.887,888 6.178,889 1,890 23,891 6.662,893 2.881,894 7.824,895 12.868,897 10.995,899 2.324,900 41.833,901 0.002,904 153.024,905 83.989,906 18.685,908 67.828,910 31.278,911 52.711,912 220.853,913 18.685,915 9.709,916 18.524,917 117.684,918 14.132,919 14.488,920 148.989,922 153.024,923 71.396,924 67.828,925 31.278,927 141.253,928 79.599,931 29.274,932 25.336,933 16.786,934 31.278,935 153.024,936 86.513,937 83.989,940 153.024,941 47.799,942 38.089,944 84.614,945 153.024,946 86.513,947 83.989,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.088,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,964 1,968 11.908,969 4.845,970 2.513,972 84.614,973 7.455,974 4.047,977 1.435,978 2.964,979 2.099,980 42.683,981 323.526,982 26,987 10.955,991 -0.805,994 32.236,995 35.827,996 0.341,997 0.759,998 0.925,999 0.95,1000 0.95,1001 0.95,1002 4.527,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.543,1008 1.635,1009 6.18,1010 3.932,1011 5.716,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.29,1018 6.974,1019 3.451,1020 7.009,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.656,1026 2.253,1027 10.044,1028 5.396,1029 8.335,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.281,1036 11.651,1037 5.712,1038 9.694,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.064,1044 2.922,1045 14.208,1046 7.129,1047 11.074,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.09,1054 16.168,1055 7.806,1056 12.47,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 11.636,1062 3.619,1063 18.54,1064 9.008,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 12.852,1072 20.666,1073 9.863,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 14.3,1080 4.33,1081 22.97,1082 10.973,1083 2.428,1084 7.828,1085 20.817,1086 4.064,1087 12.544,1088 15.607,1090 25.174,1091 11.919,1092 2.054,1093 7.24,1094 22.612,1095 3.489,1096 13.661,1097 17.017,1098 5.047,1099 27.455,1100 12.989,1101 1.528,1102 5.926,1103 24.413,1104 3.034,1105 14.723,1106 18.368,1108 29.696,1109 13.984,1110 1.185,1111 4.3,1112 26.219,1113 2.312,1114 15.829,1115 19.764,1116 5.769,1117 31.971,1118 15.039,1119 1.039,1120 2.682,1121 28.028,1122 1.825,1123 16.914,1124 21.137,1126 34.23,1127 16.06,1128 2864,1129 5106,1130 13.523,1131 22.137,1132 30.705,1133 30.749,1134 30.235,1135 30.092,1136 30.089,1137 38.559,1138 2.873,1139 85.638,1140 28.344,1141 5.347,1142 5.486,1143 5.954,1144 5.113,1145 5.059,1146 6.71,1147 2.873,1148 16.235,1149 4.889,1150 7.237,1151 1.535,1152 1.537,1153 1.512,1154 1.505,1155 1.504,1156 1.928,1157 0.144,1158 4.282,1159 1.417,1160 4.035,1161 4.069,1162 4.276,1163 4.026,1164 7.475,1165 3.97,1166 3.879,1167 3.924,1168 3.864,1169 3.706,1170 6.351,1171 3.723,1172 3.532,1173 3.558,1174 3.485,1175 3.417,1176 4.954,1177 3.399,1178 3.168,1179 3.209,1180 3.152,1181 2.978,1182 4.59,1183 2.965,1184 3.067,1185 3.108,1186 2.99,1187 2.856,1188 3.981,1189 2.871,1190 2.766,1191 2.858,1192 2.565,1193 2.525,1194 3.586,1195 2.524,1196 2.472,1197 2.572,1198 2.429,1199 2.276,1200 3.435,1201 2.26,1202 2.338,1203 2.451,1204 2.261,1205 2.155,1206 3.319,1207 2.062,1208 0.22,1209 0.18,1210 0.317,1211 0.2,1212 0.153,1213 4.403,1214 0.203,1215 3.595,1216 0.072,1217 6.339,1218 0.488,1219 4.004,1220 0.144,1221 3.059,1222 4.064,1223 1.437,1224 9.768,1225 2.889,1226 1.888,1227 1.848,1228 2.057,1229 2.013,1230 1.452,1231 2.033,1232 1.558,1233 1.538,1234 1.711,1235 1.745,1236 0.946,1237 1.738,1238 1.469,1239 1.445,1240 1.527,1241 1.624,1242 0.755,1243 1.609,1244 1.296,1245 1.232,1246 1.45,1247 1.525,1248 0.602,1249 1.513,1250 1.085,1251 1.036,1252 1.38,1253 1.298,1254 0.494,1255 1.326,1256 1.043,1257 0.977,1258 1.2,1259 1.223,1260 0.348,1261 1.252,1262 0.651,1263 0.626,1264 0.996,1265 0.964,1266 0.122,1267 0.987,1268 0.464,1269 0.378,1270 0.826,1271 0.742,1273 0.81,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 9.005,1290 4.088,1294 0.59,1300 20.82,1301 54.591,1302 121.471,1303 148,1304 152,1305 152,1306 152,1307 25.422,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.073,1313 3.585,1314 2.807,1315 25.846,1316 54,1317 40,1318 0.252,1319 131.366,1320 219.47,1321 312.292,1322 4778,1324 12.535,1325 0.696,1326 0.594,1327 12.889,1328 10.69,1329 8.72,1330 0.436,1331 0.342,1332 6.025,1333 7.955,1334 5.836,1335 4.793,1336 9.129,1337 6.844,1338 8.061,1339 0.288,1340 0.21,1341 8.703,1342 5.869,1343 6.544,1344 0.182,1345 0.128,1346 7.415,1347 4.619,1348 5.373,1349 0.114,1350 0.079,1351 6.228,1352 3.694,1353 3.993,1354 0.074,1355 0.049,1356 4.703,1357 2.656,1358 0.388,1359 58.672,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 282.036,1365 129.576,1366 292.417,1367 391.17,1368 272,1369 112,1370 263.339,1371 144.007,1372 282.964,1373 411.37,1374 265,1375 5.572} {0 CHEMBL23942,1 1.706,2 7.833,3 2.002,4 4.01,5 70.904,6 8.199,7 0.5,8 3.586,9 3.686,10 3.297,11 3.197,12 4.687,13 3.144,14 4.133,15 4.288,16 3.7,17 3.647,18 5.261,19 3.55,20 4.368,21 4.555,22 3.58,23 3.727,24 5.298,25 3.563,26 4.416,27 4.636,28 3.527,29 3.641,30 5.42,31 3.466,32 4.121,33 4.324,34 3.472,35 3.395,36 5.17,37 3.248,38 3.934,39 4.176,40 3.01,41 3.107,42 4.922,43 3.014,44 3.739,45 3.967,46 2.724,47 2.929,48 4.687,49 2.828,50 3.779,51 4.033,52 2.547,53 2.787,54 4.828,55 2.657,56 0.039,57 0.474,58 6.407,59 3.204,60 7.746,61 3.733,62 0.225,63 0.812,64 13.113,65 5.684,66 35.905,67 6.823,68 0.186,69 0.956,70 22.521,71 8.389,72 28.533,73 9.722,74 0.314,75 0.937,76 24.052,77 8.454,78 47.39,79 9.605,80 0.236,81 0.726,82 21.083,83 6.632,84 27.88,85 7.305,86 0.137,87 0.594,88 13.478,89 4.435,90 15.134,91 5.696,92 0.119,93 0.473,94 9.05,95 3.391,96 17.69,97 4.549,98 0.271,99 0.469,100 10.506,101 3.332,102 29.782,103 4.492,104 6,105 28,106 0.321,107 0.702,108 0.869,109 0.893,110 0.893,111 0.893,112 2.961,113 1.024,114 -3.15,115 -3.14,116 -3.02,118 40.6,120 3,121 1,124 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 1,175 1,177 1,180 8,181 2,186 4,191 2,194 6,195 1,198 2,203 1,206 2,207 2,210 6,215 2,219 1,222 4,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.773,277 16.877,278 7.196,279 12.53,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.771,286 23.457,287 3.463,288 10.51,289 3.294,290 1.267,291 0.375,292 0.25,293 0.25,294 0.25,295 3.637,298 1,299 1,300 1,301 305,302 2.55,305 81.872,306 44.311,309 66.845,313 1.407,314 16.738,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 141,327 4.369,328 3.736,329 6.307,330 3.998,331 3.047,332 4.016,333 2.341,334 9.682,335 2.909,336 3.944,337 3.197,338 5.85,339 3.629,340 2.666,341 3.478,342 0.522,343 8.029,344 2.557,345 3.818,346 2.763,347 5.486,348 3.433,349 2.493,350 3.016,352 7.308,353 2.323,354 3.275,355 2.211,356 4.912,357 2.869,358 1.933,359 2.496,361 5.609,362 1.787,363 2.767,364 1.949,365 4.432,366 2.464,367 1.523,368 1.83,370 4.338,371 1.41,372 2.591,373 1.766,374 3.786,375 2.242,376 1.247,377 1.608,379 2.917,380 1.222,381 2.485,382 1.206,383 3.413,384 2.035,385 1.112,386 1.417,388 2.504,389 1.019,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.634,400 0.57,401 3,402 1.326,403 0.392,404 0.473,406 1.025,407 0.357,408 1.016,409 0.375,410 2.679,411 0.701,412 -0.217,413 -0.26,415 -0.623,416 -0.198,417 0.571,418 0.067,419 2.318,420 0.279,421 -0.705,422 -0.792,424 -1.978,425 -0.675,426 0.348,427 -0.349,428 2,429 0.042,430 -0.919,431 -1.016,433 -2,434 -0.845,435 0.252,436 -0.67,437 1.793,438 -0.024,439 -1,440 -1.35,442 -2.673,443 -0.976,444 0.038,445 -1.081,446 1.51,447 -0.37,448 -1.306,449 -1.579,451 -3.254,452 -1.225,453 -0.118,454 -1.241,455 1.175,456 -0.664,457 -1.618,458 -1.91,460 -4.372,461 -1.432,462 8.8,463 0.489,464 0.452,465 0.025,466 21.25,467 1.181,468 9.5,469 0.528,470 11.75,471 0.653,472 14.642,473 0.813,474 19.4,475 0.606,476 11.551,477 0.642,478 3.867,479 0.215,480 4.853,481 0.27,482 0.076,484 0.33,487 0.786,488 1.208,489 0.724,490 0.896,491 0.662,492 0.886,493 0.55,494 0.857,495 0.824,496 0.819,497 0.366,498 0.895,499 0.785,500 1.202,501 1.355,502 1.388,503 0.82,504 1.27,505 1.217,506 0.944,507 1.204,508 1.047,509 1.27,510 1.044,511 0.949,512 1.166,513 1.309,514 1.386,515 1.06,516 1.037,517 0.837,518 1.031,519 0.866,520 0.942,521 0.607,522 0.9,523 0.945,524 1.052,525 0.719,526 0.846,527 0.902,528 1.062,529 1.106,530 0.851,531 0.805,532 0.725,533 1.298,534 1.026,535 4,536 0.04,537 1.556,538 1.326,539 0.608,540 0.581,541 0.274,542 0.101,543 0.099,544 0.055,545 2938,546 8914,547 2.12,548 43.8,549 4,550 3,551 1,552 2,553 1,554 3,558 1.583,559 2,560 3.003,561 -0.225,563 1,564 1,565 1,567 54.591,568 1.706,569 3.733,570 4.625,571 4.75,572 4.75,573 4.75,574 2.489,575 3.392,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 160,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.058,592 0.03,593 0.032,594 0.018,595 0.009,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.383,603 -0.076,604 -0.11,605 0.056,606 0.055,607 -0.031,608 0.039,609 0.142,610 0.238,611 0.059,612 0.154,613 0.204,614 0.049,615 -0.066,616 -0.214,617 -0.232,618 -0.258,619 -0.084,620 -0.247,621 -0.172,622 -0.008,623 -0.083,624 0.023,625 -0.161,626 -0.04,627 0.024,628 -0.184,629 0.039,630 -0.152,631 -0.046,632 0.004,633 -0.019,634 -0.065,635 0.007,636 -0.067,637 0.091,638 0.062,639 -0.101,640 -0.136,641 -0.073,642 -0.103,643 -0.11,644 -0.131,645 0.045,646 0.055,647 -0.091,648 -0.002,649 -0.162,650 -0.122,651 2.329,652 4.02,653 0.778,654 13.136,655 1.007,656 1.12,657 1.921,658 3.69,659 0.692,660 3.045,661 3.367,662 3.611,663 3.871,664 3.989,665 4.111,666 4.263,667 4.304,668 4.22,669 4.174,670 4.841,671 0.651,672 262.36,673 3.045,674 4.575,675 5.416,676 6.29,677 7.151,678 8.029,679 8.899,680 9.779,681 10.654,682 11.536,683 6.3,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 32,726 11,728 20,730 34,731 13,733 7,739 3,740 4,748 3,749 1,751 3,753 8,754 5,755 1,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,830 1,832 2,834 1,840 18,845 1,846 4,850 1,856 1,862 6.3,864 1,865 1,869 9,870 5.6,871 3.889,872 1.924,874 1.814,875 1.279,876 0.965,877 3.205,878 8.314,879 3.296,880 3.861,881 4.347,882 4.876,883 5.029,884 5.358,885 5.78,886 6.062,887 6.204,888 6.322,889 1,890 23,891 6.669,893 2.89,894 7.824,895 12.868,897 10.992,899 2.324,900 41.833,901 0.002,904 153.024,905 83.989,906 18.685,908 67.828,910 31.278,911 52.711,912 220.853,913 18.685,915 9.709,916 18.524,917 117.684,918 14.132,919 14.488,920 148.989,922 153.024,923 71.396,924 67.828,925 31.278,927 153.024,928 67.828,931 29.274,932 25.336,933 16.786,934 31.278,935 153.024,936 86.513,937 83.989,940 153.024,941 47.799,942 38.089,944 84.614,945 153.024,946 86.513,947 83.989,949 0.584,950 0.331,951 0.174,952 0.085,953 15,954 6,955 0.088,956 3,957 1,958 1.143,959 3.138,960 129.108,961 0.143,962 14,963 75.059,964 1,968 11.908,969 4.845,970 2.513,972 84.614,973 7.74,974 4.025,977 1.743,978 3.875,979 2.034,980 42.683,981 323.526,982 26,987 11.02,991 -0.662,994 32.236,995 35.827,996 0.341,997 0.747,998 0.925,999 0.95,1000 0.95,1001 0.95,1002 4.527,1003 0.618,1004 5.398,1005 2.504,1006 4.043,1007 4.543,1008 2.313,1009 6.18,1010 3.932,1011 5.716,1012 0.392,1013 6.936,1014 1.372,1015 3.611,1016 4.29,1017 2.243,1018 6.974,1019 3.451,1020 7.009,1021 -0.217,1022 8.569,1023 1.025,1024 5.609,1025 6.646,1026 3.632,1027 10.042,1028 5.402,1029 8.334,1030 -0.705,1031 10.255,1032 -0.623,1033 5.994,1034 7.25,1035 4.112,1036 11.648,1037 5.732,1038 9.69,1039 -0.919,1040 11.975,1041 -1.978,1042 7.449,1043 9.029,1044 5.202,1045 14.199,1046 7.153,1047 11.066,1048 -1,1049 13.718,1050 -2,1051 8.204,1052 10.03,1053 5.889,1054 16.154,1055 7.851,1056 12.457,1057 -1.306,1058 15.476,1059 -2.673,1060 9.441,1061 11.571,1062 6.849,1063 18.517,1064 9.057,1065 3.047,1066 -1.618,1067 17.247,1068 -3.254,1069 10.37,1070 12.765,1071 7.625,1072 20.633,1073 9.931,1074 2.666,1075 9.682,1076 19.026,1077 -4.372,1078 11.517,1079 14.206,1080 8.526,1081 22.926,1082 11.044,1083 2.493,1084 8.029,1085 20.813,1086 4.016,1087 12.531,1088 15.494,1089 9.342,1090 25.118,1091 12.005,1092 1.933,1093 7.308,1094 22.607,1095 3.478,1096 13.644,1097 16.894,1098 10.216,1099 27.386,1100 13.08,1101 1.523,1102 5.609,1103 24.405,1104 3.016,1105 14.699,1106 18.229,1107 11.051,1108 29.615,1109 14.086,1110 1.247,1111 4.338,1112 26.207,1113 2.496,1114 15.8,1115 19.615,1116 11.912,1117 31.877,1118 15.146,1119 1.112,1120 2.917,1121 28.014,1122 1.83,1123 16.878,1124 20.973,1125 12.755,1126 34.124,1127 16.176,1128 2861,1129 5053,1130 13.523,1131 22.137,1132 30.602,1133 30.402,1134 30.255,1135 30.088,1136 30.063,1137 38.52,1138 5.725,1139 85.566,1140 28.323,1141 5.313,1142 5.578,1143 5.921,1144 5.128,1145 5.047,1146 6.677,1147 3.925,1148 16.094,1149 4.909,1150 7.237,1151 1.53,1152 1.52,1153 1.513,1154 1.504,1155 1.503,1156 1.926,1157 0.286,1158 4.278,1159 1.416,1160 4.039,1161 4.068,1162 4.277,1163 4.033,1164 7.474,1165 3.975,1166 3.867,1167 3.922,1168 3.821,1169 3.673,1170 6.351,1171 3.699,1172 3.555,1173 3.567,1174 3.59,1175 3.454,1176 4.959,1177 3.433,1178 3.184,1179 3.228,1180 3.125,1181 2.999,1182 4.608,1183 2.984,1184 2.988,1185 3.057,1186 2.872,1187 2.809,1188 3.93,1189 2.798,1190 2.821,1191 2.885,1192 2.649,1193 2.537,1194 3.581,1195 2.565,1196 2.476,1197 2.574,1198 2.425,1199 2.289,1200 3.472,1201 2.271,1202 2.33,1203 2.449,1204 2.263,1205 2.144,1206 3.328,1207 2.054,1208 0.218,1209 0.187,1210 0.315,1211 0.2,1212 0.152,1213 4.369,1214 0.201,1215 3.736,1216 0.117,1217 6.307,1218 0.484,1219 3.998,1220 0.145,1221 3.047,1222 4.016,1223 2.341,1224 9.682,1225 2.909,1226 1.864,1227 1.833,1228 2.024,1229 1.979,1230 1.398,1231 1.997,1232 1.667,1233 1.627,1234 1.785,1235 1.848,1236 1.053,1237 1.845,1238 1.346,1239 1.302,1240 1.518,1241 1.531,1242 0.757,1243 1.527,1244 1.274,1245 1.228,1246 1.458,1247 1.513,1248 0.604,1249 1.492,1250 1.156,1251 1.142,1252 1.351,1253 1.303,1254 0.491,1255 1.318,1256 1.033,1257 0.958,1258 1.194,1259 1.247,1260 0.304,1261 1.285,1262 0.672,1263 0.632,1264 0.984,1265 0.997,1266 0.054,1267 1.015,1268 0.431,1269 0.338,1270 0.833,1271 0.705,1273 0.778,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.273,1282 9.702,1289 9.07,1290 3.185,1294 -0.197,1300 20.82,1301 54.591,1302 119.471,1303 148,1304 152,1305 152,1306 152,1307 26.389,1308 6.5,1309 55.12,1310 83.36,1311 16,1312 12.072,1313 3.585,1314 2.807,1315 25.837,1316 54,1317 40,1318 0.253,1319 131.366,1320 219.47,1321 312.292,1322 4840,1324 12.535,1325 0.696,1326 0.594,1327 12.889,1328 10.69,1329 8.72,1330 0.436,1331 0.341,1332 6.009,1333 7.937,1334 5.818,1335 4.763,1336 9.129,1337 6.828,1338 8.061,1339 0.288,1340 0.211,1341 8.73,1342 5.895,1343 6.537,1344 0.182,1345 0.127,1346 7.272,1347 4.573,1348 5.43,1349 0.116,1350 0.079,1351 6.324,1352 3.725,1353 3.874,1354 0.073,1355 0.05,1356 4.702,1357 2.669,1358 0.389,1359 58.672,1360 0.272,1361 18.11,1362 0.709,1363 96,1364 282.036,1365 129.576,1366 292.144,1367 390.05,1368 272,1369 112,1370 261.339,1371 141.505,1372 280.529,1373 405.77,1374 263,1375 7.642} {0 CHEMBL24984,1 1.426,2 15.857,3 5.714,4 32.651,5 160.132,6 7.237,7 0.4,8 4.443,9 4.542,10 3.961,11 3.985,12 5.58,13 3.96,14 4.976,15 5.12,16 4.287,17 4.368,18 6.154,19 4.31,20 5.28,21 5.481,22 4.357,23 4.525,24 6.278,25 4.439,26 5.369,27 5.581,28 4.384,29 4.55,30 6.387,31 4.464,32 5.352,33 5.551,34 4.441,35 4.621,36 6.34,37 4.533,38 5.476,39 5.696,40 4.46,41 4.68,42 6.463,43 4.577,44 5.476,45 5.701,46 4.435,47 4.668,48 6.427,49 4.56,50 5.459,51 5.683,52 4.441,53 4.622,54 6.448,55 4.528,56 0.081,57 1.005,58 16.569,59 8.04,60 23.193,61 9.84,62 0.495,63 1.634,64 30.459,65 13.228,66 82.318,67 16.874,68 0.438,69 2.113,70 44.077,71 17.609,72 92.791,73 23.123,74 0.895,75 2.245,76 50.135,77 18.403,78 117.518,79 24.177,80 0.446,81 2.317,82 46.903,83 18.936,84 86.977,85 25.021,86 0.738,87 2.594,88 54.805,89 20.697,90 115.794,91 27.91,92 0.608,93 2.581,94 54.841,95 20.881,96 102.361,97 28.226,98 0.715,99 2.5,100 54.612,101 20.011,102 105.374,103 26.859,104 50,105 59,106 0.217,107 0.55,108 0.745,109 0.872,110 0.909,111 0.913,112 3.765,113 0.951,114 -4.95,115 -4.85,116 -4.55,118 43,120 7,121 1,124 1,126 1,127 1,133 3,134 1,140 10,141 4,142 1,143 2,154 2,163 2,167 2,168 24,169 2,171 1,172 9,175 2,177 4,180 26,181 2,186 9,191 4,194 24,195 2,197 2,198 11,201 1,203 4,206 24,207 2,210 11,215 3,218 25,219 2,222 15,225 1,227 4,229 24,230 2,234 15,239 4,242 22,243 2,247 12,248 2,250 1,252 4,255 20,256 4,258 2,259 10,260 1,262 2,264 6,267 21,268 4,270 4168,271 28.501,272 28.501,273 28.501,274 28.501,275 28.501,276 25.439,277 22.847,278 17.61,279 28.688,280 22.285,281 22.285,282 22.285,283 22.285,284 22.285,285 17.84,286 20.252,287 8.44,288 22.612,289 4.878,290 2.689,291 1.412,292 0.577,293 0.329,294 0.304,295 4.46,300 1,301 1392,302 4.796,306 613.602,313 2.299,314 51.205,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 91.5,326 666,327 4.407,328 3.609,329 6.682,330 4.119,331 3.146,332 3.997,333 2.341,334 10.791,335 3.067,336 4.323,337 3.597,338 6.516,339 4.023,340 3.029,341 3.853,342 2.341,343 10.254,344 3,345 4.033,346 3.596,347 6.118,348 3.734,349 2.743,350 3.531,351 1.902,352 8.962,353 2.717,354 3.68,355 3.214,356 5.659,357 3.414,358 2.436,359 2.966,360 0.869,361 7.393,362 2.378,363 3.561,364 3.001,365 5.231,366 3.24,367 2.235,368 2.752,369 0.22,370 6.337,371 2.222,372 3.55,373 2.613,374 4.66,375 3.238,376 2.233,377 2.711,379 5.184,380 2.22,381 3.518,382 2.271,383 4.659,384 3.165,385 2.17,386 2.706,388 5.184,389 2.16,390 3.162,391 2.159,392 4.566,393 2.761,394 1.774,395 2.314,397 4.556,398 1.749,399 3.086,400 2.017,401 4.41,402 2.677,403 1.696,404 2.192,406 4.252,407 1.659,408 2.87,409 1.938,410 4.065,411 2.535,412 1.55,413 2.021,415 3.58,416 1.524,417 2.811,418 1.74,419 3.811,420 2.468,421 1.484,422 1.891,424 3.171,425 1.454,426 2.759,427 1.535,428 3.636,429 2.391,430 1.414,431 1.826,433 3.085,434 1.374,435 2.709,436 1.487,437 3.629,438 2.322,439 1.336,440 1.744,442 3.032,443 1.314,444 2.5,445 1.37,446 3.574,447 2.071,448 1.12,449 1.5,451 2.58,452 1.062,453 2.484,454 1.307,455 3.487,456 2,457 1,458 1.475,460 2.525,461 1,462 19.733,463 0.47,464 0.839,465 0.02,466 49.25,467 1.173,468 24,469 0.571,470 25.25,471 0.601,472 43.216,473 1.029,474 46.267,475 0.586,476 45.026,477 1.072,478 9.855,479 0.235,480 10.564,481 0.252,482 0.084,484 0.279,487 0.833,488 1.124,489 0.841,490 1.071,491 0.781,492 0.977,493 0.706,494 1.145,495 0.966,496 1.143,497 0.476,498 1.109,499 0.915,500 1.086,501 0.966,502 1.073,503 0.854,504 1.038,505 1.084,506 0.889,507 1.004,508 0.893,509 0.809,510 0.928,511 0.855,512 1.121,513 0.98,514 1.087,515 0.69,516 1.063,517 0.878,518 1.021,519 1.011,520 0.999,521 0.709,522 1.02,523 0.871,524 1.056,525 0.997,526 1.032,527 0.631,528 1.034,529 0.991,530 0.994,531 0.982,532 0.972,533 0.7,534 0.971,535 6.5,536 0.396,537 4,538 2.25,539 1.569,540 1.285,541 0.908,542 0.514,543 0.571,544 0.503,545 28965,546 84438,547 2.048,548 46.8,549 10,550 16,551 1,552 2,553 3,554 4,556 1,558 1.817,559 1.938,560 3.896,561 0.677,567 112.624,568 1.426,569 3.615,570 4.892,571 5.726,572 5.975,573 6,574 3.354,575 5.059,576 5.354,577 4.094,578 3525.02,579 9.504,580 64715.7,585 497.999,586 1.3,587 5.333,588 0.144,589 0.007,590 0.068,591 0.036,592 0.025,593 0.019,594 0.013,595 0.008,596 0.009,597 0.008,598 0.337,599 0.17,600 0.75,601 1.749,602 241.718,603 -0.068,604 0.015,605 0.014,606 0.041,607 -0.079,608 0.042,609 0.141,610 -0.062,611 -0.061,612 -0.082,613 0.164,614 -0.105,615 -0.058,616 -0.078,617 -0.016,618 -0.053,619 -0.069,620 -0.032,621 -0.042,622 0.105,623 -0.011,624 0.093,625 -0.045,626 0.052,627 -0.058,628 -0.092,629 -0.044,630 -0.064,631 -0.049,632 -0.054,633 -0.044,634 0.001,635 -0.051,636 -0.006,637 -0.039,638 -0.024,639 -0.064,640 -0.044,641 -0.038,642 -0.036,643 -0.037,644 -0.032,645 -0.065,646 0.013,648 0.008,649 -0.039,650 0.016,651 2.502,652 4.646,653 0.571,654 62.975,655 1.004,656 1.119,657 3.717,658 13.813,659 0.657,660 3.829,661 4.094,662 4.317,663 4.564,664 4.812,665 4.89,666 5.069,667 5.22,668 5.352,669 5.46,670 9.104,671 0.627,672 571.72,673 3.829,674 5.342,675 6.163,676 7.017,677 7.864,678 8.731,679 9.593,680 10.468,681 11.34,682 12.22,683 1.3,693 1,699 12,700 1,704 5,706 18,721 1,724 79,726 22,727 2,728 45,730 82,731 34,733 17,734 3,735 9,736 2,739 4,740 4,748 1,749 1,751 8,753 23,754 11,755 1,756 4,761 2,763 3,765 3,772 37,773 8,774 3,775 8,779 1,784 1,785 7,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 42,845 3,846 8,848 2,850 3,862 8.9,864 3,865 2,866 2,869 21.667,870 13.467,871 9.5,872 4.804,874 2.994,875 1.364,876 0.918,877 11.894,878 11.209,879 4.078,880 4.57,881 5.029,882 5.53,883 6.036,884 6.166,885 6.558,886 6.881,887 7.186,888 7.497,889 0.909,890 62,891 15.615,893 6.608,894 7.913,895 29.56,897 24.075,899 2.413,900 101.333,904 400.217,905 181.727,906 16.786,908 200.34,911 181.727,912 600.557,913 16.786,915 22.334,916 123.551,917 242.487,918 34.023,919 11.771,920 364.904,922 400.217,923 198.513,924 200.34,927 388.446,928 190.111,929 22,930 0.36,931 40.429,932 112.51,933 45.214,935 400.217,936 217.125,937 181.727,940 400.577,941 40.082,942 141.286,944 217.125,945 400.217,946 217.125,947 181.727,949 0.562,950 0.309,951 0.167,952 0.094,953 23,954 11,955 0.171,956 14,958 1,959 5.079,960 409.88,962 24,963 222.477,968 31.176,969 16.023,970 9.378,972 217.125,973 22.615,974 4.505,978 3.488,980 128.05,981 799.07,982 58,987 21.723,989 5.927,991 -0.624,994 79.298,995 88.438,996 0.226,997 0.573,998 0.776,999 0.908,1000 0.948,1001 0.952,1002 5.291,1003 1.774,1004 6.111,1005 5.184,1006 4.779,1007 5.257,1008 3.261,1009 6.87,1010 4.747,1011 6.45,1012 1.696,1013 7.632,1014 4.556,1015 4.205,1016 4.808,1017 3.038,1018 7.711,1019 4.161,1020 7.717,1021 1.55,1022 9.261,1023 4.252,1024 6.304,1025 7.284,1026 4.544,1027 10.831,1028 6.244,1029 9.015,1030 1.484,1031 10.96,1032 3.58,1033 6.594,1034 7.664,1035 4.929,1036 12.578,1037 6.518,1038 10.348,1039 1.414,1040 12.705,1041 3.171,1042 8.128,1043 9.608,1044 6.044,1045 15.2,1046 8.036,1047 11.705,1048 1.336,1049 14.485,1050 3.085,1051 8.844,1052 10.412,1053 6.678,1054 17.303,1055 8.731,1056 13.082,1057 1.12,1058 16.288,1059 3.032,1060 10.134,1061 12.1,1062 7.64,1063 19.753,1064 10.004,1065 3.146,1066 1,1067 18.109,1068 2.58,1069 11.062,1070 13.14,1071 8.387,1072 21.999,1073 10.91,1074 3.029,1075 10.791,1076 19.942,1077 2.525,1078 12.247,1079 14.69,1080 9.283,1081 24.387,1082 12.078,1083 2.743,1084 10.254,1085 21.786,1086 3.997,1087 13.278,1088 15.865,1089 10.083,1090 26.695,1091 13.087,1092 2.436,1093 8.962,1094 23.637,1095 3.853,1096 14.422,1097 17.337,1098 10.951,1099 29.061,1100 14.212,1101 2.235,1102 7.393,1103 25.494,1104 3.531,1105 15.502,1106 18.592,1107 11.776,1108 31.396,1109 15.27,1110 2.233,1111 6.337,1112 27.356,1113 2.966,1114 16.632,1115 20.02,1116 12.633,1117 33.756,1118 16.38,1119 2.17,1120 5.184,1121 29.221,1122 2.752,1123 17.736,1124 21.321,1125 13.47,1126 36.104,1127 17.462,1128 28369,1129 48529,1130 30.107,1131 51.892,1132 66.367,1133 66.962,1134 66.864,1135 65.456,1136 65.4,1137 82.846,1138 15.345,1139 176.524,1140 64.253,1141 5.407,1142 5.609,1143 6.484,1144 5.192,1145 5.146,1146 6.997,1147 3.925,1148 17.872,1149 5.067,1150 21.362,1151 1.475,1152 1.488,1153 1.486,1154 1.455,1155 1.453,1156 1.841,1157 0.341,1158 3.923,1159 1.428,1160 4.042,1161 4.066,1162 3.985,1163 3.966,1164 7.477,1165 3.966,1166 3.941,1167 3.965,1168 3.881,1169 3.873,1170 7.472,1171 3.872,1172 3.817,1173 3.848,1174 3.753,1175 3.732,1176 6.469,1177 3.733,1178 3.762,1179 3.803,1180 3.656,1181 3.66,1182 6.352,1183 3.651,1184 3.73,1185 3.778,1186 3.604,1187 3.594,1188 6.35,1189 3.585,1190 3.62,1191 3.653,1192 3.52,1193 3.454,1194 4.956,1195 3.46,1196 3.468,1197 3.5,1198 3.369,1199 3.316,1200 4.768,1201 3.32,1202 3.36,1203 3.383,1204 3.263,1205 3.14,1206 4.71,1207 3.162,1208 0.098,1209 0.08,1210 0.148,1211 0.092,1212 0.07,1213 4.407,1214 0.089,1215 3.609,1216 0.052,1217 6.682,1218 0.24,1219 4.119,1220 0.068,1221 3.146,1222 3.997,1223 2.341,1224 10.791,1225 3.067,1226 1.983,1227 1.961,1228 2.086,1229 2.079,1230 1.366,1231 2.078,1232 1.931,1233 1.909,1234 2.054,1235 2.028,1236 1.326,1237 2.038,1238 1.804,1239 1.775,1240 1.958,1241 1.914,1242 1.161,1243 1.922,1244 1.761,1245 1.719,1246 1.949,1247 1.894,1248 1.14,1249 1.914,1250 1.722,1251 1.671,1252 1.907,1253 1.889,1254 1.018,1255 1.903,1256 1.581,1257 1.542,1258 1.794,1259 1.773,1260 0.994,1261 1.776,1262 1.429,1263 1.391,1264 1.645,1265 1.626,1266 0.859,1267 1.627,1268 1.276,1269 1.244,1270 1.504,1271 1.529,1272 0.664,1273 1.513,1274 4.511,1276 5.79,1278 7.261,1280 8.827,1282 10.45,1289 28.491,1290 3.759,1292 12.69,1294 -1.24,1300 49.507,1301 112.624,1302 285.591,1303 386.441,1304 452.389,1305 471.999,1306 473.999,1307 116.902,1308 8.216,1309 126.18,1310 126.18,1311 24,1312 12.758,1313 4.524,1314 3.807,1315 78.749,1316 225,1317 258,1318 0.166,1319 304.048,1320 552.83,1321 733.638,1322 44487,1324 29.736,1325 0.708,1326 0.559,1327 29.736,1328 23.471,1329 20.419,1330 0.454,1331 0.317,1332 14.106,1333 19.751,1334 13.855,1335 11.463,1336 20.419,1337 14.265,1338 17.735,1339 0.301,1340 0.175,1341 17.735,1342 10.311,1343 13.775,1344 0.186,1345 0.097,1346 13.775,1347 7.154,1348 11.342,1349 0.119,1350 0.053,1351 11.342,1352 5.02,1353 9.375,1354 0.077,1355 0.029,1356 9.375,1357 3.52,1358 0.264,1359 127.624,1360 0.182,1361 37.558,1362 0.449,1363 208,1364 641.036,1365 228.319,1366 608.377,1367 802.74,1368 566,1369 237,1370 555.476,1371 254.944,1372 560.259,1373 814.28,1374 527,1375 5} {0 CHEMBL25711,1 1.706,2 7.833,3 2.146,4 4.604,5 71.007,6 8.199,7 0.5,8 3.586,9 3.686,10 3.297,11 3.197,12 4.688,13 3.144,14 4.133,15 4.288,16 3.7,17 3.647,18 5.277,19 3.55,20 4.373,21 4.572,22 3.637,23 3.723,24 5.283,25 3.563,26 4.44,27 4.689,28 3.371,29 3.634,30 5.289,31 3.462,32 4.23,33 4.471,34 3.254,35 3.448,36 5.103,37 3.306,38 4.202,39 4.43,40 3.163,41 3.275,42 5.284,43 3.161,44 3.846,45 4.085,46 2.925,47 2.979,48 4.926,49 2.841,50 3.419,51 3.627,52 2.748,53 2.592,54 4.618,55 2.449,56 0.039,57 0.474,58 6.407,59 3.204,60 7.802,61 3.733,62 0.225,63 0.812,64 13.113,65 5.684,66 33.465,67 6.823,68 0.184,69 0.958,70 22.112,71 8.317,72 21.966,73 9.873,74 0.248,75 0.98,76 25.169,77 8.553,78 29.743,79 10.55,80 0.133,81 0.79,82 16.655,83 6.405,84 20.505,85 8.451,86 0.317,87 0.734,88 18.536,89 5.644,90 49.589,91 6.727,92 0.214,93 0.506,94 12.408,95 4.165,96 34.815,97 4.946,98 0.246,99 0.351,100 10.548,101 2.859,102 22.572,103 3.08,104 6,105 28,106 0.321,107 0.713,108 0.869,109 0.893,110 0.893,111 0.893,112 2.96,113 1.027,114 -3.42,115 -3.4,116 -3.25,118 40.6,120 3,121 1,124 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,180 8,181 2,186 4,191 2,194 6,195 1,198 4,203 1,206 2,207 2,210 5,215 2,219 2,222 5,227 2,234 1,235 1,246 1,247 1,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.811,277 12.729,278 7.199,279 12.517,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.818,286 8.148,287 3.468,288 10.501,289 3.294,290 1.204,291 0.375,292 0.25,293 0.25,294 0.25,295 3.637,298 1,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 16.208,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 141,327 4.403,328 3.595,329 6.339,330 4.006,331 3.059,332 4.064,333 1.437,334 9.768,335 2.897,336 3.956,337 3.135,338 5.745,339 3.604,340 2.658,341 3.489,343 7.828,344 2.512,345 3.754,346 2.705,347 5.518,348 3.383,349 2.428,350 3.034,352 7.24,353 2.294,354 3.245,355 2.168,356 5.003,357 3.021,358 2.054,359 2.312,361 5.926,362 1.974,363 2.764,364 1.863,365 4.41,366 2.493,367 1.528,368 1.825,370 4.3,371 1.461,372 2.613,373 1.653,374 3.709,375 2.106,376 1.185,377 1.613,379 2.682,380 1.083,381 2.509,382 1.226,383 3.431,384 1.979,385 1.039,386 1.452,388 2.491,389 0.945,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.692,400 0.495,401 3,402 1.397,403 0.475,404 0.563,406 1.211,407 0.429,408 1,409 0.428,410 2.726,411 0.773,412 -0.178,413 -0.205,415 -0.512,416 -0.167,417 0.519,418 -0.045,419 2.25,420 0.192,421 -0.774,422 -0.852,424 -2,425 -0.728,426 0.34,427 -0.531,428 2,430 -0.96,431 -1.083,433 -2.203,434 -0.889,435 0.246,436 -0.733,437 1.868,438 -0.019,439 -1,440 -1.282,442 -2.666,443 -0.964,444 0.017,445 -1.157,446 1.384,447 -0.322,448 -1.274,449 -1.675,451 -3.496,452 -1.226,453 -0.118,454 -1.477,455 1.288,456 -0.565,457 -1.51,458 -1.761,460 -4.17,461 -1.393,462 8.8,463 0.489,464 0.452,465 0.025,466 21.25,467 1.181,468 9.5,469 0.528,470 11.75,471 0.653,472 14.681,473 0.816,474 19.4,475 0.606,476 11.516,477 0.64,478 3.817,479 0.212,480 4.904,481 0.272,482 0.076,484 0.33,487 0.786,488 1.208,489 0.724,490 0.896,491 0.661,492 0.886,493 0.55,494 0.857,495 0.824,496 0.819,497 0.331,498 0.895,499 0.559,500 1.165,501 1.126,502 1.314,503 0.537,504 1.223,505 0.74,506 0.974,507 1.134,508 1.103,509 0.625,510 1.045,511 0.569,512 1.076,513 0.767,514 0.982,515 0.536,516 1.066,517 1.564,518 0.99,519 1.089,520 0.953,521 1.666,522 1.006,523 1.453,524 0.818,525 0.871,526 0.701,527 1.565,528 0.836,529 1.385,530 0.91,531 1.478,532 1.108,533 1.74,534 0.871,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 9082,547 2.12,548 43.8,549 4,550 3,551 1,552 2,553 1,554 2,555 1,558 1.583,559 2,560 3.005,561 -0.225,563 1,564 1,565 1,567 54.591,568 1.706,569 3.796,570 4.625,571 4.75,572 4.75,573 4.75,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 160,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.076,604 -0.11,605 0.056,606 0.055,607 -0.03,608 0.039,609 0.142,610 0.238,611 0.059,612 0.154,613 0.241,614 0.049,615 0.047,616 -0.183,617 -0.069,618 -0.232,619 0.04,620 -0.198,621 -0.033,622 -0.033,623 -0.103,624 -0.092,625 0.01,626 -0.023,627 0.052,628 -0.167,629 0.03,630 -0.113,631 0.013,632 -0.07,633 -0.257,634 -0.068,635 -0.143,636 -0.056,637 -0.285,638 -0.075,639 -0.216,640 0.079,641 0.078,642 0.209,643 -0.238,644 0.123,645 0.132,646 0.127,647 -0.018,648 0.11,649 -0.184,650 0.098,651 2.472,652 3.955,653 0.778,654 13.136,655 1.007,656 1.12,657 2.189,658 4.791,659 0.692,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.651,672 262.36,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 6.3,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,714 1,724 32,726 11,728 20,730 34,731 13,733 7,736 1,739 3,740 4,748 3,749 1,751 3,753 8,754 5,755 1,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 4,850 1,856 1,862 6.3,864 1,865 1,869 9,870 5.6,871 3.889,872 1.944,874 1.785,875 1.275,876 0.965,877 3.205,878 8.274,879 3.296,880 3.861,881 4.373,882 4.891,883 5.045,884 5.285,885 5.399,886 5.693,887 5.887,888 6.178,889 1,890 23,891 6.662,893 2.881,894 7.824,895 12.868,897 10.995,899 2.324,900 41.833,901 0.002,904 153.024,905 83.989,906 18.685,908 67.828,910 31.278,911 52.711,912 220.853,913 18.685,915 9.709,916 18.524,917 117.684,918 14.132,919 14.488,920 148.989,922 153.024,923 71.396,924 67.828,925 31.278,927 141.253,928 79.599,931 29.274,932 25.336,933 16.786,934 31.278,935 153.024,936 86.513,937 83.989,940 153.024,941 47.799,942 38.089,944 84.614,945 153.024,946 86.513,947 83.989,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.088,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,964 1,968 11.908,969 4.845,970 2.513,972 84.614,973 7.46,974 4.047,977 1.435,978 2.964,979 2.097,980 42.683,981 323.526,982 26,987 10.955,991 -0.805,994 32.236,995 35.827,996 0.341,997 0.759,998 0.925,999 0.95,1000 0.95,1001 0.95,1002 4.527,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.543,1008 1.635,1009 6.18,1010 3.932,1011 5.716,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.29,1018 6.974,1019 3.451,1020 7.009,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.656,1026 2.253,1027 10.044,1028 5.396,1029 8.335,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.281,1036 11.651,1037 5.712,1038 9.694,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.064,1044 2.922,1045 14.208,1046 7.131,1047 11.074,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.09,1054 16.168,1055 7.809,1056 12.47,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 11.636,1062 3.619,1063 18.54,1064 9.014,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 12.852,1072 20.666,1073 9.872,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 14.3,1080 4.33,1081 22.97,1082 10.984,1083 2.428,1084 7.828,1085 20.817,1086 4.064,1087 12.544,1088 15.607,1090 25.174,1091 11.934,1092 2.054,1093 7.24,1094 22.612,1095 3.489,1096 13.661,1097 17.017,1098 5.047,1099 27.455,1100 13.007,1101 1.528,1102 5.926,1103 24.413,1104 3.034,1105 14.723,1106 18.368,1108 29.696,1109 14.006,1110 1.185,1111 4.3,1112 26.219,1113 2.312,1114 15.829,1115 19.764,1116 5.769,1117 31.971,1118 15.064,1119 1.039,1120 2.682,1121 28.028,1122 1.825,1123 16.914,1124 21.137,1126 34.23,1127 16.089,1128 2864,1129 5124,1130 13.523,1131 22.137,1132 30.705,1133 30.749,1134 30.235,1135 30.074,1136 30.089,1137 38.559,1138 2.873,1139 85.638,1140 28.342,1141 5.347,1142 5.486,1143 5.954,1144 5.114,1145 5.059,1146 6.71,1147 2.873,1148 16.235,1149 4.897,1150 7.237,1151 1.535,1152 1.537,1153 1.512,1154 1.504,1155 1.504,1156 1.928,1157 0.144,1158 4.282,1159 1.417,1160 4.035,1161 4.07,1162 4.275,1163 4.026,1164 7.475,1165 3.97,1166 3.879,1167 3.923,1168 3.866,1169 3.707,1170 6.351,1171 3.723,1172 3.532,1173 3.558,1174 3.486,1175 3.417,1176 4.954,1177 3.399,1178 3.157,1179 3.204,1180 3.165,1181 2.977,1182 4.59,1183 2.961,1184 3.092,1185 3.131,1186 2.912,1187 2.852,1188 3.978,1189 2.884,1190 2.733,1191 2.82,1192 2.723,1193 2.533,1194 3.617,1195 2.498,1196 2.47,1197 2.57,1198 2.299,1199 2.276,1200 3.403,1201 2.255,1202 2.381,1203 2.492,1204 2.239,1205 2.162,1206 3.308,1207 2.13,1208 0.22,1209 0.18,1210 0.317,1211 0.2,1212 0.153,1213 4.403,1214 0.203,1215 3.595,1216 0.072,1217 6.339,1218 0.488,1219 4.006,1220 0.145,1221 3.059,1222 4.064,1223 1.437,1224 9.768,1225 2.897,1226 1.889,1227 1.849,1228 2.058,1229 2.014,1230 1.452,1231 2.033,1232 1.526,1233 1.523,1234 1.686,1235 1.729,1236 0.928,1237 1.722,1238 1.505,1239 1.461,1240 1.569,1241 1.64,1242 0.803,1243 1.63,1244 1.298,1245 1.233,1246 1.478,1247 1.525,1248 0.54,1249 1.514,1250 1.079,1251 1.038,1252 1.329,1253 1.313,1254 0.508,1255 1.326,1256 1.044,1257 0.975,1258 1.201,1259 1.215,1260 0.365,1261 1.247,1262 0.6,1263 0.601,1264 0.972,1265 0.902,1266 0.128,1267 0.929,1268 0.531,1269 0.414,1270 0.863,1271 0.809,1273 0.882,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 9.005,1290 4.09,1294 0.586,1300 20.82,1301 54.591,1302 121.471,1303 148,1304 152,1305 152,1306 152,1307 25.424,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.073,1313 3.585,1314 2.807,1315 25.846,1316 54,1317 40,1318 0.252,1319 131.366,1320 219.47,1321 312.292,1322 4778,1324 12.535,1325 0.696,1326 0.594,1327 12.889,1328 10.69,1329 8.72,1330 0.436,1331 0.342,1332 6.025,1333 7.955,1334 5.836,1335 4.793,1336 9.129,1337 6.844,1338 8.061,1339 0.288,1340 0.21,1341 8.703,1342 5.869,1343 6.544,1344 0.182,1345 0.129,1346 7.434,1347 4.649,1348 5.373,1349 0.114,1350 0.077,1351 6.169,1352 3.6,1353 3.993,1354 0.074,1355 0.05,1356 4.71,1357 2.68,1358 0.388,1359 58.672,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 282.036,1365 129.576,1366 292.417,1367 391.17,1368 272,1369 112,1370 263.339,1371 144.007,1372 282.963,1373 411.34,1374 265,1375 6.943} {0 CHEMBL262055,1 1.411,2 8.565,3 4.099,4 16.803,5 92.498,6 6.648,7 0.458,8 3.899,9 4.027,10 3.351,11 3.433,12 4.989,13 3.383,14 4.425,15 4.625,16 3.706,17 3.813,18 5.506,19 3.742,20 4.664,21 4.858,22 3.683,23 3.977,24 5.653,25 3.853,26 4.948,27 5.254,28 3.638,29 3.996,30 5.753,31 3.842,32 4.672,33 4.893,34 3.806,35 4.02,36 5.632,37 3.914,38 4.84,39 5.048,40 3.699,41 4.094,42 5.817,43 3.938,44 4.934,45 5.243,46 3.554,47 3.974,48 5.738,49 3.795,50 4.689,51 4.913,52 3.485,53 3.823,54 5.801,55 3.674,56 0.042,57 0.642,58 10.638,59 4.525,60 9.953,61 6.24,62 0.213,63 1.022,64 18.735,65 7.155,66 38.558,67 10.341,68 0.127,69 1.275,70 23.68,71 9.199,72 26.66,73 13.227,74 0.404,75 1.45,76 33.352,77 10.954,78 58.884,79 16.475,80 0.264,81 1.267,82 24.04,83 9.679,84 24.447,85 13.788,86 0.143,87 1.433,88 28.36,89 11.548,90 33.501,91 16.255,92 0.319,93 1.376,94 32.562,95 11.797,96 58.711,97 17.23,98 0.172,99 1.15,100 24.967,101 9.366,102 45.029,103 13.147,104 46,105 34,106 0.244,107 0.597,108 0.768,109 0.804,110 0.804,111 0.804,112 3.189,113 0.969,114 -3.66,115 -3.63,116 -3.45,118 40.4,119 4,120 1,122 1,124 1,133 1,134 1,140 4,141 1,143 2,150 2,154 1,163 1,167 1,168 9,169 1,172 8,175 1,177 1,180 8,181 2,186 9,191 2,194 5,198 2,199 1,206 9,207 1,209 2,210 3,213 1,215 1,218 19,219 1,222 2,227 1,229 12,230 2,234 4,239 2,242 10,243 4,247 8,252 4,255 5,256 1,259 2,260 1,264 1,267 1,268 1,270 822,271 14.585,272 14.585,273 14.585,274 14.585,275 14.585,276 12.808,277 13.628,278 8.584,279 14.747,280 11.861,281 11.861,282 11.861,283 11.861,284 11.861,285 9.258,286 13.384,287 4.124,288 12.133,289 4.144,290 2.094,291 1.107,292 0.894,293 0.894,294 0.894,295 3.841,298 1,299 1,300 1,301 397,302 4.123,305 71.238,306 80.722,313 1.361,314 18.537,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 49,326 197,327 4.481,328 3.595,329 6.67,330 4.198,331 3.225,332 4.134,333 1.437,334 10.84,335 3.148,336 4.071,337 3.316,338 6.267,339 3.906,340 2.926,341 3.457,342 0.68,343 9.524,344 2.859,345 3.993,346 3.004,347 5.762,348 3.634,349 2.637,350 3.334,352 7.64,353 2.618,354 3.848,355 2.667,356 5.417,357 3.441,358 2.457,359 3.057,361 7.039,362 2.412,363 3.199,364 2.162,365 4.95,366 2.817,367 1.837,368 2.389,370 5.434,371 1.795,372 2.867,373 1.801,374 4.12,375 2.382,376 1.417,377 2.001,379 3.388,380 1.364,381 2.611,382 1.451,383 3.595,384 2.174,385 1.21,386 1.616,388 2.987,389 1.163,390 2.575,391 1.311,392 3.502,393 2.029,394 1.025,395 1.5,397 2.357,398 1.013,399 2.5,400 1,401 3.247,402 1.956,403 1,404 1.458,406 2.136,407 0.953,408 1.444,409 0.532,410 3.105,411 1.253,412 0.269,413 0.305,415 0.687,416 0.263,417 0.988,418 0.422,419 2.808,420 0.687,421 -0.289,422 -0.353,424 -0.75,425 -0.28,426 0.725,427 -0.081,428 2.341,429 0.433,430 -0.548,431 -0.646,433 -1.571,434 -0.536,435 0.5,436 -0.376,437 2,438 0.035,439 -0.94,440 -1,442 -2,443 -0.91,444 0.43,445 -0.771,446 2,448 -1,449 -1,451 -2.347,452 -0.961,453 0.411,454 -1,455 2,457 -1,458 -1.206,460 -2.434,461 -0.976,462 10.967,463 0.477,464 0.826,465 0.036,466 26.75,467 1.163,468 13,469 0.565,470 13.75,471 0.598,472 21.832,473 0.949,474 25.633,475 0.545,476 18.892,477 0.821,478 5.178,479 0.225,480 5.582,481 0.243,482 0.243,483 0.046,484 0.264,487 0.795,488 1.359,489 0.921,490 1.171,491 0.762,492 1.079,493 0.557,494 1.069,495 0.781,496 0.917,497 0.348,498 0.872,499 0.801,500 1.497,501 1.269,502 1.458,503 0.65,504 1.421,505 1.036,506 0.647,507 0.826,508 0.611,509 0.89,510 0.672,511 0.444,512 0.92,513 0.864,514 0.97,515 0.405,516 0.966,517 0.772,518 1.454,519 1.281,520 1.523,521 0.828,522 1.478,523 0.798,524 0.697,525 0.756,526 0.732,527 0.867,528 0.741,529 1.125,530 1.428,531 1.235,532 1.462,533 1.232,534 1.385,535 6.5,536 0.05,537 2.444,538 1.479,539 1.466,540 1.043,541 0.732,542 0.465,543 0.222,544 0.131,545 4779,546 12371,547 1.912,548 51.1,549 12,550 7,552 2,553 1,554 2,558 1.665,559 1.736,560 3.077,561 -0.369,563 1,567 66.316,568 1.411,569 3.461,570 4.447,571 4.66,572 4.66,573 4.66,574 2.533,575 3.882,576 4.492,577 3.248,578 821.621,579 7.776,580 9455.13,582 1,584 1,585 261.066,586 1.731,587 4.407,588 0.271,589 0.008,590 0.072,591 0.049,592 0.049,593 0.028,594 0.025,595 0.017,596 0.01,597 0.011,598 0.541,599 0.5,600 1,601 1.512,602 106.69,603 -0.033,604 -0.144,605 0.024,606 -0.031,607 -0.086,608 -0.006,609 0.196,610 0.059,611 0.176,612 0.133,613 0.275,614 0.152,615 -0.083,616 -0.376,617 -0.328,618 -0.409,619 -0.038,620 -0.4,621 -0.088,622 0.286,623 0.163,624 0.304,625 -0.046,626 0.274,627 0.178,628 0.166,629 0.074,630 0.079,631 0.104,632 0.064,633 -0.052,634 -0.414,635 -0.348,636 -0.466,637 -0.081,638 -0.448,639 0.014,640 0.178,641 0.207,642 0.22,643 -0.011,644 0.236,645 -0.046,646 -0.451,647 -0.258,648 -0.451,649 -0.032,650 -0.393,651 2.553,652 4.112,653 0.478,654 19.577,655 0.991,656 1.127,657 2.429,658 5.899,659 0.645,660 3.219,661 3.555,662 3.664,663 3.892,664 4.094,665 4.094,666 4.22,667 4.205,668 4.078,669 4.078,670 5.417,671 0.601,672 312.45,673 3.219,674 4.762,675 5.565,676 6.444,677 7.279,678 8.161,679 9.013,680 9.897,681 10.759,682 11.644,683 4.3,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 47,726 13,728 24,730 48,731 19,733 9,736 3,739 2,740 2,745 4,746 1,751 1,753 12,754 7,756 2,761 1,763 1,765 2,769 1,772 24,773 3,774 1,775 4,779 2,784 1,785 2,795 1,797 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 4,840 23,845 1,846 2,852 1,862 4.3,864 1,865 1,869 13.25,870 9.6,871 4.958,872 2.696,874 2.335,875 1.361,876 0.903,877 5.3,878 8.798,879 3.481,880 4.056,881 4.501,882 5.023,883 5.444,884 5.642,885 6.012,886 6.297,887 6.487,888 6.769,889 0.833,890 30,891 8.485,893 3.453,894 7.786,895 16.249,897 12.925,899 2.286,900 52.583,903 1,904 270.735,905 118.212,906 18.685,908 67.828,911 118.212,912 338.564,913 18.685,914 35.301,915 4.64,916 47.381,917 109.066,918 26.365,919 5.513,920 247.193,922 270.735,923 136.896,924 67.828,927 270.735,928 67.828,931 59.935,932 50.7,933 26.262,935 270.735,936 86.513,937 118.212,940 270.735,941 17.435,942 102.676,944 84.614,945 270.735,946 86.513,947 118.212,949 0.59,950 0.299,951 0.148,952 0.092,953 15,954 8,955 0.125,956 6,958 1,959 3.364,960 174.268,962 11,963 99.287,968 17.33,969 7.034,970 4.986,972 84.614,973 11.68,974 4.165,978 3.238,979 2.208,980 42.683,981 475.46,982 31.5,987 11.112,989 1.737,991 -0.548,994 46.578,995 52.983,996 0.254,997 0.623,998 0.801,999 0.839,1000 0.839,1001 0.839,1002 4.725,1003 1.025,1004 5.609,1005 2.987,1006 4.234,1007 4.741,1008 1.801,1009 6.425,1010 4.19,1011 5.964,1012 1,1013 7.183,1014 2.357,1015 4.111,1016 4.635,1018 7.567,1019 4.059,1020 7.287,1021 0.269,1022 8.863,1023 2.136,1024 5.9,1025 6.885,1026 2.297,1027 10.493,1028 5.814,1029 8.64,1030 -0.289,1031 10.602,1032 0.687,1033 6.509,1034 7.513,1036 12.368,1037 6.411,1038 10.019,1039 -0.548,1040 12.376,1041 -0.75,1042 7.873,1043 9.305,1044 2.933,1045 14.905,1046 7.744,1047 11.415,1048 -0.94,1049 14.174,1050 -1.571,1051 8.777,1052 10.286,1054 17.059,1055 8.631,1056 12.826,1057 -1,1058 15.988,1059 -2,1060 9.992,1061 11.874,1062 3.621,1063 19.475,1064 9.818,1065 3.225,1066 -1,1067 17.813,1068 -2.347,1069 11.024,1070 13.045,1072 21.746,1073 10.828,1074 2.926,1075 10.84,1076 19.648,1077 -2.434,1078 12.186,1079 14.536,1080 4.33,1081 24.123,1082 11.964,1083 2.637,1084 9.524,1085 21.49,1086 4.134,1087 13.277,1088 15.812,1090 26.447,1091 13.031,1092 2.457,1093 7.64,1094 23.338,1095 3.457,1096 14.423,1097 17.258,1098 5.048,1099 28.814,1100 14.151,1101 1.837,1102 7.039,1103 25.191,1104 3.334,1105 15.544,1106 18.594,1108 31.161,1109 15.246,1110 1.417,1111 5.434,1112 27.048,1113 3.057,1114 16.688,1115 20.02,1116 5.769,1117 33.527,1118 16.365,1119 1.21,1120 3.388,1121 28.91,1122 2.389,1123 17.824,1124 21.39,1126 35.887,1127 17.475,1128 4967,1129 8098,1130 14.909,1131 30.296,1132 36.925,1133 37.295,1134 36.604,1135 36,1136 36.004,1137 46.501,1138 4.233,1139 104.064,1140 35.179,1141 5.304,1142 5.595,1143 6.472,1144 5.234,1145 5.225,1146 7.134,1147 2.873,1148 17.664,1149 5.111,1150 14.549,1151 1.539,1152 1.554,1153 1.525,1154 1.5,1155 1.5,1156 1.938,1157 0.176,1158 4.336,1159 1.466,1160 4.063,1161 4.106,1162 4.01,1163 3.949,1164 7.475,1165 3.959,1166 3.836,1167 3.879,1168 3.771,1169 3.733,1170 6.351,1171 3.736,1172 3.706,1173 3.757,1174 3.59,1175 3.597,1176 4.91,1177 3.583,1178 3.593,1179 3.624,1180 3.496,1181 3.45,1182 4.751,1183 3.457,1184 3.092,1185 3.151,1186 2.968,1187 2.955,1188 4.296,1189 2.944,1190 2.997,1191 3.039,1192 2.823,1193 2.633,1194 4.159,1195 2.682,1196 2.874,1197 3.009,1198 2.627,1199 2.631,1200 3.845,1201 2.614,1202 2.874,1203 3.009,1204 2.62,1205 2.618,1206 3.719,1207 2.57,1208 0.187,1209 0.15,1210 0.278,1211 0.175,1212 0.134,1213 4.481,1214 0.172,1215 3.595,1216 0.06,1217 6.67,1218 0.452,1219 4.198,1220 0.131,1221 3.225,1222 4.134,1223 1.437,1224 10.84,1225 3.148,1226 1.887,1227 1.847,1228 2.043,1229 2.027,1230 1.312,1231 2.032,1232 1.811,1233 1.766,1234 1.978,1235 1.95,1236 1.131,1237 1.963,1238 1.699,1239 1.664,1240 1.864,1241 1.84,1242 0.972,1243 1.847,1244 1.495,1245 1.45,1246 1.668,1247 1.646,1248 0.769,1249 1.657,1250 1.32,1251 1.268,1252 1.549,1253 1.525,1254 0.662,1255 1.532,1256 0.971,1257 0.899,1258 1.417,1259 1.268,1260 0.469,1261 1.308,1262 0.934,1263 0.814,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.804,1270 1.287,1271 1.239,1272 0.456,1273 1.229,1274 3.892,1276 5.22,1277 2.398,1278 6.706,1279 4.727,1280 8.26,1281 6.804,1282 9.854,1284 8.159,1289 9.123,1290 1.609,1296 0.1,1300 28.267,1301 66.316,1302 162.659,1303 209.027,1304 219.027,1305 219.027,1306 219.027,1307 46.973,1308 6.463,1309 55.12,1310 55.12,1311 11,1312 12.181,1313 3.807,1314 3.087,1315 44.87,1316 70,1317 75,1318 0.305,1319 179.327,1320 311.84,1321 429.319,1322 4410,1324 17.035,1325 0.741,1326 0.618,1327 17.035,1328 14.206,1329 10.76,1330 0.448,1331 0.323,1332 7.678,1333 10.452,1334 7.248,1335 6.185,1336 10.76,1337 7.75,1338 10.723,1339 0.315,1340 0.208,1341 10.723,1342 7.067,1343 7.141,1344 0.188,1345 0.093,1346 7.141,1347 3.547,1348 5.468,1349 0.114,1350 0.051,1351 5.468,1352 2.47,1353 4.575,1354 0.078,1355 0.031,1356 4.575,1357 1.813,1358 0.464,1359 66.751,1360 0.259,1361 22.332,1362 0.884,1363 116,1364 309.175,1365 124.563,1366 305.414,1367 407.28,1368 282,1369 130,1370 291.3,1371 138.318,1372 302.929,1373 430.69,1374 279,1375 4.108} {0 CHEMBL262223,1 1.488,2 27.39,3 7.016,4 49.227,5 220.159,6 7.528,7 0.375,8 4.746,9 4.839,10 4.313,11 4.29,12 5.887,13 4.277,14 5.305,15 5.439,16 4.64,17 4.668,18 6.409,19 4.63,20 5.592,21 5.778,22 4.739,23 4.826,24 6.625,25 4.763,26 5.702,27 5.903,28 4.713,29 4.819,30 6.772,31 4.755,32 5.658,33 5.859,34 4.705,35 4.849,36 6.682,37 4.769,38 5.728,39 5.956,40 4.689,41 4.896,42 6.676,43 4.793,44 5.715,45 5.942,46 4.671,47 4.875,48 6.774,49 4.77,50 5.638,51 5.859,52 4.594,53 4.817,54 6.641,55 4.713,56 0.077,57 1.365,58 20.721,59 10.518,60 29.876,61 12.573,62 0.843,63 2.22,64 41.313,65 17.526,66 80.107,67 21.23,68 0.754,69 2.884,70 58.826,71 23.455,72 113.29,73 29.762,74 1.372,75 3.083,76 70.042,77 24.593,78 178.613,79 30.647,80 1.104,81 3.046,82 64.997,83 24.643,84 155.849,85 31.533,86 1.062,87 3.275,88 71.294,89 27.092,90 146.041,91 35.975,92 1.237,93 3.213,94 70.843,95 26.612,96 190.634,97 35.3,98 0.845,99 3.018,100 64.29,101 24.677,102 136.115,103 32.518,104 30,105 84,106 0.212,107 0.515,108 0.683,109 0.78,110 0.806,111 0.817,112 4.096,113 0.926,114 -4.86,115 -4.76,116 -4.47,118 44.3,120 6,121 2,124 4,126 2,127 2,133 4,140 14,141 6,142 1,143 2,154 4,168 28,171 4,172 18,177 2,180 27,185 1,186 23,191 2,194 18,197 1,198 26,201 1,203 2,206 15,209 2,210 20,215 1,218 22,221 1,222 15,225 1,227 2,229 29,233 5,234 16,239 3,242 34,247 7,252 3,255 30,258 8,259 14,264 2,267 24,270 10599,271 40.758,272 40.758,273 40.758,274 40.758,275 40.758,276 36.842,277 43.324,278 24.823,279 41.286,280 31.51,281 31.51,282 31.51,283 31.51,284 31.51,285 25.579,286 44.022,287 11.7,288 32.356,289 5.24,290 3.108,291 1.923,292 1.241,293 1.057,294 0.981,295 4.804,301 3505,302 5.339,306 1481.79,313 3.775,314 74.331,317 0.5,318 0.33,319 0.5,320 0.8,321 0.5,322 0.33,324 0.42,325 128.5,326 1616,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.443,334 10.786,335 3.041,336 4.237,337 4.057,338 6.543,339 4.055,340 3.084,341 3.738,342 2.443,343 10.361,344 2.991,345 4.156,346 3.693,347 6.129,348 3.803,349 2.809,350 3.73,351 2.035,352 8.996,353 2.793,354 4.109,355 3.673,356 6.096,357 3.763,358 2.766,359 3.576,360 2.035,361 8.887,362 2.755,363 3.841,364 3.606,365 5.659,366 3.459,367 2.48,368 3.06,369 1.902,370 7.395,371 2.426,372 3.807,373 3.585,374 5.299,375 3.38,376 2.412,377 3.047,378 1.902,379 6.772,380 2.365,381 3.682,382 3.197,383 5.293,384 3.377,385 2.385,386 2.853,387 0.869,388 6.75,389 2.322,390 3.647,391 3.113,392 5.238,393 3.335,394 2.349,395 2.82,396 0.869,397 6.375,398 2.305,399 3.599,400 2.629,401 5.051,402 3.313,403 2.322,404 2.728,405 0.286,406 6.134,407 2.281,408 3.506,409 2.477,410 5.018,411 3.21,412 2.223,413 2.674,414 0.286,415 6.047,416 2.191,417 3.15,418 2.43,419 4.565,420 2.719,421 1.744,422 2.217,423 0.22,424 4.538,425 1.695,426 3.142,427 2.373,428 4.401,429 2.677,430 1.701,431 2.211,432 0.22,433 4.268,434 1.656,435 3.047,436 2.167,437 4.351,438 2.513,439 1.557,440 2.026,442 4.077,443 1.486,444 3.042,445 2.114,446 4.101,447 2.474,448 1.52,449 1.95,451 3.619,452 1.447,453 2.87,454 2.037,455 3.818,456 2.458,457 1.485,458 1.909,460 3.368,461 1.439,462 27.7,463 0.469,464 1.019,465 0.017,466 72.25,467 1.225,468 35.5,469 0.602,470 36.75,471 0.623,472 62.699,473 1.063,474 63.5,475 0.599,476 67.967,477 1.152,478 14.42,479 0.244,480 14.49,481 0.246,482 0.065,484 0.271,487 0.797,488 1.177,489 0.77,490 1.132,491 0.616,492 0.98,493 1.021,494 1.073,495 1.013,496 1.089,497 0.621,498 1.06,499 1.039,500 1.118,501 0.982,502 1.124,503 0.796,504 1.061,505 1.464,506 0.938,507 1.133,508 0.951,509 1.138,510 0.977,511 1.107,512 1.003,513 1.056,514 1.027,515 0.918,516 1.034,517 0.902,518 0.944,519 0.968,520 0.982,521 0.68,522 0.99,523 0.912,524 0.903,525 0.981,526 0.953,527 0.727,528 0.981,529 0.969,530 1.037,531 1.037,532 1.048,533 0.999,534 1.058,535 9,536 0.363,537 6,538 2.688,539 2.324,540 2,541 1.211,542 0.549,543 0.635,544 0.506,545 104380,546 289812,547 2.091,548 44.3,549 8,550 28,551 2,552 2,553 1,554 4,556 2,558 1.88,559 2,560 4.62,561 -0.452,567 157.744,568 1.488,569 3.62,570 4.805,571 5.487,572 5.671,573 5.747,574 3.981,575 5.611,576 5.861,577 4.886,578 8359.81,579 10.417,580 234354,585 713.16,586 1.199,587 5.833,588 0.141,589 0.006,590 0.071,591 0.03,592 0.027,593 0.023,594 0.014,595 0.007,596 0.008,597 0.007,598 0.334,599 0.17,600 0.5,601 0.567,602 390.695,603 -0.028,604 -0.075,605 0.049,606 -0.051,607 -0.005,608 0.004,609 0.064,610 -0.039,611 -0.09,612 -0.057,613 0.021,614 -0.095,615 -0.035,616 -0.133,617 -0.015,618 -0.11,619 -0.017,620 -0.068,621 -0.163,622 0.024,623 -0.094,624 0.023,625 -0.1,626 -0.015,627 -0.057,628 -0.027,629 -0.065,630 -0.028,631 -0.036,632 -0.044,633 -0.013,634 0.017,635 0.023,636 0.019,637 0.009,638 0.027,639 0.018,640 0.055,641 0.018,642 0.045,643 0.088,644 0.031,645 -0.083,646 -0.068,647 -0.054,648 -0.045,649 -0.108,650 -0.045,651 2.057,652 5.317,653 0.61,654 112.507,655 1.007,656 1.118,657 3.626,658 13.146,659 0.668,660 4.174,661 4.443,662 4.691,663 4.905,664 5.153,665 5.231,666 5.371,667 5.451,668 5.572,669 5.659,670 15.681,671 0.642,672 797.97,673 4.174,674 5.694,675 6.524,676 7.372,677 8.221,678 9.079,679 9.938,680 10.804,681 11.67,682 12.541,683 2.8,692 2,693 1,699 16,700 1,704 7,706 24,707 2,721 1,724 106,726 30,727 3,728 64,730 111,731 47,733 23,734 6,735 12,739 6,740 6,748 2,749 2,751 8,752 2,753 29,754 16,755 2,756 4,761 2,763 4,765 2,772 47,773 12,774 1,775 12,779 3,784 1,785 9,795 1,802 6,819 2,822 4,831 4,832 6,840 59,845 1,846 10,848 6,850 6,853 2,858 2,860 2,862 8.5,864 1,865 2,866 4,867 2,869 29.5,870 18.55,871 13.444,872 6.415,874 3.437,875 1.381,876 0.94,877 16.379,878 12.464,879 4.443,880 4.898,881 5.375,882 5.81,883 6.285,884 6.395,885 6.69,886 6.819,887 7.146,888 7.51,889 0.944,890 90,891 21.952,893 9.328,894 7.856,895 41.505,897 33.824,899 2.356,900 139,904 541.471,905 289.663,906 78.904,908 158.973,911 289.663,912 700.443,913 78.904,915 33.577,916 171.292,917 224.887,918 121.327,919 23.542,920 494.386,922 541.471,923 368.567,924 158.973,927 517.928,928 138.515,929 44,930 0.719,931 113.79,932 199.367,933 54.691,935 541.471,936 237.877,937 289.663,940 542.19,941 67.073,942 188.667,943 33.203,944 237.877,945 541.471,946 237.877,947 289.663,949 0.563,950 0.327,951 0.171,952 0.095,953 33,954 15,955 0.171,956 19,958 1,959 6.788,960 611.272,962 36,963 339.076,968 42.956,969 22.496,970 12.676,972 237.877,973 28.639,974 4.268,978 4.486,980 42.683,981 1069.01,982 84,987 24.626,989 7.839,991 -0.767,994 106.69,995 118.514,996 0.221,997 0.538,998 0.714,999 0.816,1000 0.843,1001 0.854,1002 5.673,1003 2.349,1004 6.466,1005 6.75,1006 5.13,1007 5.587,1008 3.98,1009 7.217,1010 5.079,1011 6.83,1012 2.322,1013 7.984,1014 6.375,1015 4.511,1016 5.047,1017 3.173,1018 8.026,1019 4.465,1020 8.092,1021 2.223,1022 9.606,1023 6.134,1024 6.661,1025 7.586,1026 5.299,1027 11.12,1028 6.568,1029 9.382,1030 1.744,1031 11.293,1032 6.047,1033 6.919,1034 7.893,1035 5.171,1036 12.82,1037 6.822,1038 10.704,1039 1.701,1040 13.024,1041 4.538,1042 8.467,1043 9.86,1044 6.785,1045 15.415,1046 8.332,1047 12.047,1048 1.557,1049 14.786,1050 4.268,1051 9.149,1052 10.583,1053 6.996,1054 17.482,1055 8.999,1056 13.407,1057 1.52,1058 16.57,1059 4.077,1060 10.44,1061 12.283,1062 8.358,1063 19.912,1064 10.259,1065 3.139,1066 1.485,1067 18.372,1068 3.619,1069 11.339,1070 13.238,1071 8.779,1072 22.137,1073 11.134,1074 3.084,1075 10.786,1076 20.188,1077 3.368,1078 12.52,1079 14.792,1080 9.991,1081 24.511,1082 12.285,1083 2.809,1084 10.361,1085 22.014,1086 3.856,1087 13.528,1088 15.885,1089 10.554,1090 26.806,1091 13.264,1092 2.766,1093 8.996,1094 23.848,1095 3.738,1096 14.664,1097 17.354,1098 11.666,1099 29.163,1100 14.371,1101 2.48,1102 8.887,1103 25.69,1104 3.73,1105 15.728,1106 18.533,1107 12.33,1108 31.49,1109 15.403,1110 2.412,1111 7.395,1112 27.538,1113 3.576,1114 16.849,1115 19.949,1116 13.374,1117 33.844,1118 16.493,1119 2.385,1120 6.772,1121 29.391,1122 3.06,1123 17.941,1124 21.182,1125 14.107,1126 36.186,1127 17.553,1128 97278,1129 162319,1130 43.512,1131 70.858,1132 95.996,1133 100.099,1134 94.946,1135 92.379,1136 92.487,1137 116.448,1138 31.017,1139 250.555,1140 89.958,1141 5.334,1142 6.057,1143 6.483,1144 5.191,1145 5.139,1146 6.856,1147 4.477,1148 17.864,1149 5.041,1150 26.692,1151 1.5,1152 1.564,1153 1.484,1154 1.443,1155 1.445,1156 1.82,1157 0.485,1158 3.915,1159 1.406,1160 4.043,1161 4.066,1162 3.978,1163 3.947,1164 7.434,1165 3.949,1166 3.969,1167 3.99,1168 3.911,1169 3.881,1170 7.43,1171 3.884,1172 3.894,1173 3.919,1174 3.839,1175 3.84,1176 6.823,1177 3.836,1178 3.88,1179 3.912,1180 3.821,1181 3.806,1182 6.818,1183 3.805,1184 3.784,1185 3.818,1186 3.686,1187 3.666,1188 6.469,1189 3.659,1190 3.755,1191 3.797,1192 3.649,1193 3.643,1194 4.947,1195 3.637,1196 3.669,1197 3.698,1198 3.575,1199 3.48,1200 4.864,1201 3.494,1202 3.621,1203 3.653,1204 3.527,1205 3.449,1206 4.802,1207 3.458,1208 0.068,1209 0.063,1210 0.104,1211 0.064,1212 0.049,1213 4.334,1214 0.06,1215 4.057,1216 0.038,1217 6.681,1218 0.169,1219 4.109,1220 0.048,1221 3.139,1222 3.856,1223 2.443,1224 10.786,1225 3.041,1226 1.951,1227 1.932,1228 2.067,1229 2.068,1230 1.366,1231 2.066,1232 1.94,1233 1.918,1234 2.057,1235 2.064,1236 1.36,1237 2.061,1238 1.896,1239 1.874,1240 2.001,1241 1.972,1242 1.153,1243 1.982,1244 1.875,1245 1.844,1246 1.995,1247 1.966,1248 1.147,1249 1.976,1250 1.766,1251 1.726,1252 1.95,1253 1.916,1254 1.112,1255 1.923,1256 1.75,1257 1.707,1258 1.927,1259 1.893,1260 1.108,1261 1.908,1262 1.604,1263 1.57,1264 1.811,1265 1.818,1266 1.016,1267 1.813,1268 1.577,1269 1.537,1270 1.787,1271 1.773,1272 0.968,1273 1.775,1274 4.86,1276 6.142,1278 7.619,1280 9.187,1282 10.806,1289 10.604,1290 3.386,1292 35.39,1294 -1.961,1298 18.26,1299 4.231,1300 68.087,1301 157.744,1302 383.697,1303 509.327,1304 581.65,1305 601.16,1306 609.16,1307 165.437,1308 9.027,1309 170.22,1310 170.22,1311 36,1312 13.085,1313 4.954,1314 4.392,1315 105.416,1316 583,1317 494,1318 0.084,1319 415.051,1320 763.21,1321 1004.48,1322 173493,1324 41.237,1325 0.699,1326 0.553,1327 41.237,1328 32.637,1329 28.911,1330 0.452,1331 0.309,1332 19.47,1333 27.807,1334 19.146,1335 15.756,1336 28.911,1337 19.748,1338 24.467,1339 0.291,1340 0.169,1341 24.467,1342 14.209,1343 20.619,1344 0.191,1345 0.093,1346 20.619,1347 10.051,1348 16.385,1349 0.122,1350 0.052,1351 16.385,1352 6.912,1353 13.393,1354 0.078,1355 0.028,1356 13.393,1357 4.859,1358 0.143,1359 181.668,1360 0.152,1361 51.133,1362 0.202,1363 296,1364 950.969,1365 328.556,1366 893.806,1367 1186.75,1368 838,1369 340,1370 821.142,1371 372.177,1372 824.474,1373 1203.61,1374 775,1375 5} {0 CHEMBL263019,1 1.462,2 10.538,3 5.082,4 25.824,5 107.211,6 7.734,7 0.607,8 3.916,9 4.016,10 3.559,11 3.59,12 5.045,13 3.52,14 4.401,15 4.542,16 3.861,17 3.965,18 5.53,19 3.855,20 4.67,21 4.878,22 3.828,23 4.046,24 5.617,25 3.91,26 4.706,27 4.907,28 3.901,29 4.065,30 5.737,31 3.934,32 4.793,33 4.991,34 3.919,35 4.104,36 5.858,37 3.961,38 4.813,39 5.047,40 3.714,41 4.031,42 5.806,43 3.856,44 4.665,45 4.933,46 3.432,47 3.852,48 5.498,49 3.655,50 4.43,51 4.684,52 3.501,53 3.712,54 5.312,55 3.556,56 0.034,57 0.574,58 9.465,59 4.647,60 8.808,61 5.772,62 0.165,63 0.954,64 17.483,65 7.918,66 37.1,67 9.956,68 0.152,69 1.227,70 25.572,71 10.727,72 30.48,73 13.652,74 0.168,75 1.259,76 26.066,77 10.936,78 38.679,79 13.701,80 0.262,81 1.394,82 31.705,83 12.171,84 53.709,85 14.557,86 0.276,87 1.424,88 31.951,89 12.312,90 58.636,91 15.275,92 0.222,93 1.241,94 28.595,95 10.949,96 41.533,97 14.151,98 0.116,99 0.973,100 21.325,101 8.619,102 21.616,103 11.271,104 6,105 36,106 0.248,107 0.58,108 0.772,109 0.882,110 0.892,111 0.892,112 3.304,113 1.024,114 -4.91,115 -4.81,116 -4.52,118 46.8,120 3,121 1,133 1,134 1,140 9,141 2,143 2,149 1,150 1,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 20,181 2,186 4,191 2,194 19,195 3,198 4,203 3,206 17,207 3,210 6,215 3,218 16,219 2,222 4,227 2,229 13,230 1,234 2,239 1,242 11,243 1,247 2,252 1,255 10,256 3,259 4,260 1,264 3,267 11,268 2,270 994,271 17.933,272 17.933,273 17.933,274 17.933,275 17.933,276 15.492,277 8.8,278 11.16,279 18.205,280 13.86,281 13.86,282 13.86,283 13.86,284 13.86,285 10.399,286 7.647,287 5.286,288 14.284,289 4.092,290 2.134,291 1.006,292 0.356,293 0.298,294 0.298,295 3.987,299 1,300 1,301 584,302 3.808,305 85.356,306 203.438,313 1.337,314 19.694,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 54.5,326 274,327 4.375,328 3.802,329 6.499,330 3.984,331 3.012,332 3.954,333 2.397,334 10.176,335 2.949,336 4.179,337 3.028,338 6.401,339 3.95,340 2.949,341 3.611,342 0.242,343 9.732,344 2.925,345 3.748,346 2.765,347 5.254,348 3.227,349 2.29,350 3.313,352 6.425,353 2.133,354 3.525,355 2.291,356 4.93,357 3.098,358 2.096,359 2.817,361 5.41,362 2.09,363 3.257,364 1.987,365 4.23,366 2.76,367 1.789,368 2.536,370 4.059,371 1.731,372 2.895,373 1.773,374 3.832,375 2.525,376 1.542,377 2.009,379 3.298,380 1.505,381 2.749,382 1.538,383 3.609,384 2.397,385 1.399,386 1.813,388 2.994,389 1.391,390 2.576,391 1.205,392 3.494,393 2.149,394 1.18,395 1.589,397 2.661,398 1.137,399 2.5,400 1.106,401 3.315,402 2,403 1,404 1.5,406 2.136,407 1,408 2.5,409 1,410 3.247,411 1.956,412 1,413 1.5,415 2.136,416 0.953,417 2.315,418 1,419 3.247,420 1.905,421 0.924,422 1.19,424 2.133,425 0.896,426 2.118,427 0.717,428 3,429 1.476,430 0.618,431 0.927,433 1.372,434 0.508,435 1.82,436 0.618,437 3,438 1.444,439 0.476,440 0.612,442 1.176,443 0.459,444 1.094,445 0.397,446 2.574,447 0.907,448 -0.083,449 -0.094,451 -0.195,452 -0.081,453 0.719,454 0.141,455 2.121,456 0.307,457 -0.681,458 -0.844,460 -1.53,461 -0.669,462 12.9,463 0.496,464 0.418,465 0.016,466 34,467 1.308,468 19,469 0.731,470 15,471 0.577,472 20.749,473 0.798,474 26.7,475 0.568,476 23.249,477 0.894,478 6.629,479 0.255,480 6.125,481 0.236,482 0.052,484 0.233,487 0.737,488 0.959,489 0.773,490 0.857,491 0.705,492 0.872,493 0.477,494 1.052,495 0.974,496 1.039,497 0.443,498 1.059,499 0.799,500 0.982,501 0.938,502 0.978,503 0.834,504 0.991,505 1.015,506 1.008,507 0.918,508 0.974,509 1.024,510 1.004,511 1.344,512 1.123,513 1.229,514 1.162,515 1.37,516 1.107,517 1.236,518 1.06,519 1.135,520 1.058,521 1.206,522 1.1,523 0.828,524 0.895,525 1.018,526 0.948,527 0.802,528 0.979,529 0.585,530 0.844,531 0.763,532 0.841,533 0.592,534 0.835,535 3,536 0.097,537 2.444,538 1.528,539 0.782,540 0.434,541 0.243,542 0.205,543 0.331,544 0.199,545 8225,546 22560,547 2.082,548 44.7,549 6,550 10,551 1,552 2,553 1,554 1,558 1.692,559 2,560 3.329,561 -0.408,567 68.72,568 1.462,569 3.421,570 4.549,571 5.198,572 5.257,573 5.257,574 2.565,575 3.854,576 4.678,577 3.514,578 1141.93,579 8.107,580 14989.9,582 1,585 261.066,586 1.14,587 4.655,588 0.107,589 0.003,590 0.068,591 0.044,592 0.022,593 0.012,594 0.009,595 0.009,596 0.014,597 0.007,598 0.295,599 0.33,600 1,601 0.646,602 128.484,603 -0.046,604 0.037,605 0.047,606 0.08,607 -0.051,608 0.051,609 0.174,610 -0.048,611 -0.059,612 -0.062,613 0.175,614 -0.108,615 -0.026,616 -0.021,617 -0.018,618 -0.015,619 -0.04,620 -0.006,621 -0.04,622 -0.05,623 0.006,624 -0.018,625 -0.022,626 -0.033,627 -0.127,628 -0.14,629 -0.151,630 -0.133,631 -0.123,632 -0.136,633 -0.139,634 -0.084,635 -0.142,636 -0.086,637 -0.109,638 -0.121,639 -0.055,640 0.075,641 -0.034,642 0.029,643 -0.061,644 0.037,645 0.088,646 0.118,647 0.191,648 0.132,649 0.058,650 0.183,651 2.425,652 4.614,653 0.654,654 20.982,655 0.993,656 1.106,657 3.679,658 13.534,659 0.706,660 3.367,661 3.611,662 3.85,663 4.06,664 4.127,665 4.043,666 4.078,667 4.078,668 4.043,669 4.007,670 6.507,671 0.658,672 363.51,673 3.367,674 4.86,675 5.68,676 6.521,677 7.358,678 8.205,679 9.047,680 9.896,681 10.74,682 11.59,683 2.1,693 1,699 12,700 1,703 1,704 3,706 17,724 47,726 19,727 1,728 28,730 49,731 22,733 15,734 1,735 5,736 2,739 3,740 3,751 3,753 18,754 4,755 1,756 2,761 1,763 1,765 2,772 21,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 2,818 1,822 1,823 1,830 1,832 3,834 1,840 26,845 1,846 3,850 1,856 1,862 4.3,864 1,865 1,869 13,870 8.15,871 5.944,872 2.836,874 2.435,875 1.368,876 0.958,877 6.594,878 9.043,879 3.676,880 4.193,881 4.717,882 5.238,883 5.582,884 5.619,885 5.907,886 6.072,887 6.15,888 6.32,889 0.857,890 35,891 9.615,893 4,894 7.731,895 18.483,897 14.966,899 2.231,900 58,903 1,904 235.422,905 171.213,906 16.786,908 67.828,910 31.278,911 139.935,912 303.25,913 16.786,915 7.604,916 102.412,917 109.066,918 27.652,919 13.13,920 231.386,922 235.422,923 156.721,924 67.828,925 31.278,927 235.422,928 67.828,931 25.698,932 104.76,933 26.262,934 31.278,935 235.422,936 84.614,937 171.213,940 235.422,941 50.706,942 120.506,944 84.614,945 235.422,946 84.614,947 171.213,949 0.558,950 0.326,951 0.184,952 0.091,953 15,954 6,955 0.163,956 8,958 1,959 3.889,960 204.511,962 17,963 118.211,964 1,968 18.378,969 9.329,970 5.048,972 84.614,973 23.32,974 4.221,977 1.702,978 3.165,980 42.683,981 491.249,982 38.5,987 11.614,989 2.201,991 0.408,994 46.669,995 51.989,996 0.263,997 0.616,998 0.819,999 0.936,1000 0.946,1001 0.946,1002 4.854,1003 1.18,1004 5.609,1005 2.994,1006 4.29,1007 4.879,1008 2.35,1009 6.354,1010 4.239,1011 6.017,1012 1,1013 7.12,1014 2.661,1015 3.611,1016 4.27,1017 2.243,1018 7.186,1019 3.554,1020 7.279,1021 1,1022 8.746,1023 2.136,1024 5.796,1025 6.948,1026 3.742,1027 10.303,1028 5.71,1029 8.581,1030 0.924,1031 10.446,1032 2.136,1033 6.066,1034 7.255,1035 4.213,1036 12.065,1037 5.968,1038 9.919,1039 0.618,1040 12.197,1041 2.133,1042 7.618,1043 9.285,1044 5.351,1045 14.65,1046 7.506,1047 11.283,1048 0.476,1049 13.981,1050 1.372,1051 8.33,1052 10.041,1053 6.05,1054 16.745,1055 8.203,1056 12.667,1057 -0.083,1058 15.788,1059 1.176,1060 9.617,1061 11.765,1062 7.042,1063 19.154,1064 9.48,1065 3.012,1066 -0.681,1067 17.61,1068 -0.195,1069 10.536,1070 12.767,1071 7.838,1072 21.375,1073 10.385,1074 2.949,1075 10.176,1076 19.444,1077 -1.53,1078 11.711,1079 14.33,1080 8.766,1081 23.721,1082 11.548,1083 2.29,1084 9.732,1085 21.285,1086 3.954,1087 12.725,1088 15.474,1089 9.604,1090 25.99,1091 12.548,1092 2.096,1093 6.425,1094 23.131,1095 3.611,1096 13.852,1097 16.947,1098 10.503,1099 28.312,1100 13.662,1101 1.789,1102 5.41,1103 24.982,1104 3.313,1105 14.909,1106 18.178,1107 11.361,1108 30.602,1109 14.705,1110 1.542,1111 4.059,1112 26.836,1113 2.817,1114 16.016,1115 19.601,1116 12.247,1117 32.914,1118 15.798,1119 1.399,1120 3.298,1121 28.693,1122 2.536,1123 17.093,1124 20.883,1125 13.113,1126 35.212,1127 16.86,1128 7952,1129 13273,1130 19.068,1131 33.176,1132 41.362,1133 41.153,1134 41.267,1135 40.484,1136 40.549,1137 54.742,1138 5.279,1139 107.413,1140 39.358,1141 5.258,1142 5.802,1143 6.301,1144 5.047,1145 5.012,1146 6.954,1147 4.03,1148 16.925,1149 4.949,1150 9.236,1151 1.477,1152 1.47,1153 1.474,1154 1.446,1155 1.448,1156 1.955,1157 0.189,1158 3.836,1159 1.406,1160 3.997,1161 4.022,1162 4.234,1163 3.988,1164 7.474,1165 3.942,1166 3.926,1167 3.95,1168 3.881,1169 3.878,1170 6.351,1171 3.865,1172 3.755,1173 3.782,1174 3.794,1175 3.715,1176 4.919,1177 3.682,1178 3.646,1179 3.695,1180 3.53,1181 3.536,1182 4.744,1183 3.522,1184 3.424,1185 3.449,1186 3.345,1187 3.272,1188 4.668,1189 3.275,1190 3.116,1191 3.152,1192 3.005,1193 2.945,1194 4.218,1195 2.948,1196 2.854,1197 2.925,1198 2.72,1199 2.735,1200 3.908,1201 2.715,1202 2.849,1203 2.893,1204 2.687,1205 2.624,1206 3.794,1207 2.65,1208 0.156,1209 0.136,1210 0.232,1211 0.142,1212 0.108,1213 4.375,1214 0.141,1215 3.802,1216 0.086,1217 6.499,1218 0.363,1219 3.984,1220 0.105,1221 3.012,1222 3.954,1223 2.397,1224 10.176,1225 2.949,1226 1.943,1227 1.916,1228 2.075,1229 2.033,1230 1.357,1231 2.048,1232 1.893,1233 1.868,1234 1.995,1235 1.984,1236 1.137,1237 1.991,1238 1.671,1239 1.622,1240 1.877,1241 1.815,1242 1.007,1243 1.84,1244 1.508,1245 1.475,1246 1.673,1247 1.634,1248 0.788,1249 1.644,1250 1.412,1251 1.389,1252 1.572,1253 1.546,1254 0.689,1255 1.563,1256 1.242,1257 1.228,1258 1.332,1259 1.369,1260 0.586,1261 1.4,1262 0.939,1263 0.907,1264 1.181,1265 1.13,1266 0.322,1267 1.163,1268 0.886,1269 0.821,1270 1.111,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.303,1277 2.398,1278 6.758,1279 4.443,1280 8.302,1281 6.293,1282 9.894,1289 9.541,1290 2.278,1294 -0.451,1300 30.906,1301 68.72,1302 160.779,1303 213.781,1304 244.311,1305 247.066,1306 247.066,1307 47.222,1308 6.608,1309 50.19,1310 78.43,1311 17,1312 12.149,1313 4.322,1314 3.524,1315 44.304,1316 104,1317 86,1318 0.206,1319 196.266,1320 340.07,1321 470.648,1322 5641,1324 18.192,1325 0.7,1326 0.586,1327 18.546,1328 15.232,1329 12.754,1330 0.456,1331 0.341,1332 8.707,1333 12.047,1334 8.432,1335 7.024,1336 13.208,1337 9.556,1338 10.697,1339 0.297,1340 0.195,1341 11.28,1342 7.017,1343 8.697,1344 0.189,1345 0.113,1346 9.363,1347 5.208,1348 7.24,1349 0.127,1350 0.066,1351 7.922,1352 3.79,1353 5.215,1354 0.085,1355 0.037,1356 5.593,1357 2.28,1358 0.327,1359 82.72,1360 0.229,1361 25.332,1362 0.556,1363 128,1364 346.391,1365 156.098,1366 363.965,1367 490.28,1368 340,1369 146,1370 333.179,1371 169.194,1372 356.421,1373 512.36,1374 336,1375 7.301} {0 CHEMBL263227,1 1.631,2 18.049,3 4.834,4 23.364,5 158.191,6 7.913,7 0.511,8 4.373,9 4.479,10 4.023,11 3.947,12 5.504,13 3.915,14 4.896,15 5.048,16 4.355,17 4.324,18 5.99,19 4.264,20 5.112,21 5.309,22 4.398,23 4.417,24 6.146,25 4.34,26 5.137,27 5.332,28 4.42,29 4.401,30 6.254,31 4.326,32 5.137,33 5.322,34 4.381,35 4.385,36 6.264,37 4.323,38 5.123,39 5.329,40 4.245,41 4.396,42 6.166,43 4.297,44 5.104,45 5.336,46 4.182,47 4.368,48 6.062,49 4.241,50 5.093,51 5.337,52 4.122,53 4.284,54 6.073,55 4.155,56 0.088,57 1.041,58 13.91,59 6.73,60 12.463,61 8.202,62 0.394,63 1.698,64 30.02,65 11.505,66 39.42,67 13.983,68 0.444,69 1.985,70 37.237,71 13.993,72 55.45,73 17.485,74 0.609,75 2.055,76 41.535,77 14.285,78 70.272,79 17.315,80 0.688,81 1.967,82 41.031,83 13.918,84 86.511,85 16.622,86 0.678,87 1.965,88 38.464,89 14.393,90 72.853,91 18.49,92 0.42,93 1.945,94 36.733,95 14.575,96 51.962,97 19.938,98 0.537,99 1.881,100 40.336,101 14.631,102 66.841,103 19.373,104 19,105 60,106 0.251,107 0.593,108 0.791,109 0.878,110 0.892,111 0.896,112 3.741,113 0.972,114 -4.12,115 -4.06,116 -3.85,118 43.1,119 1,120 3,124 3,127 1,140 9,141 4,142 1,143 4,149 1,150 1,153 1,154 2,162 1,168 11,171 1,172 15,175 1,177 3,180 9,186 13,191 3,194 7,197 3,198 16,201 1,203 1,206 12,209 1,210 9,215 1,218 13,221 2,222 8,225 1,227 2,229 13,233 2,234 4,237 1,239 2,242 11,246 2,247 6,250 2,252 2,255 11,258 1,259 9,264 1,267 10,270 3907,271 28.457,272 28.457,273 28.457,274 28.457,275 28.457,276 25.253,277 26.669,278 17.443,279 29.19,280 22.233,281 22.233,282 22.233,283 22.233,284 22.233,285 17.381,286 28.133,287 8.243,288 23.275,289 4.538,290 2.314,291 1.028,292 0.465,293 0.372,294 0.344,295 4.447,300 1,301 1605,302 4.69,305 230.648,306 459.625,308 187.823,313 2.835,314 37.634,317 0.75,318 0.5,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.61,325 88.5,326 740,327 4.568,328 4.594,329 6.883,330 4.209,331 3.267,332 4.211,333 3.723,334 11.502,335 3.096,336 4.38,337 3.999,338 6.5,339 4.002,340 3.017,341 3.969,342 2.443,343 10.18,344 2.97,345 4.074,346 3.681,347 6.269,348 3.757,349 2.785,350 3.548,351 2.373,352 9.325,353 2.686,354 3.905,355 3.601,356 5.57,357 3.485,358 2.509,359 3.468,360 1.058,361 7.393,362 2.449,363 3.655,364 3.085,365 5.345,366 3.35,367 2.373,368 3.015,369 0.922,370 6.576,371 2.297,372 3.638,373 2.95,374 5.124,375 3.207,376 2.226,377 2.826,378 0.286,379 6.066,380 2.173,381 3.471,382 2.749,383 5.029,384 3.022,385 2.051,386 2.807,388 6.038,389 1.986,390 3.083,391 2.516,392 4.595,393 2.727,394 1.781,395 2.261,397 4.32,398 1.674,399 2.991,400 2.203,401 4.161,402 2.593,403 1.635,404 2.15,406 3.876,407 1.554,408 2.794,409 2.126,410 4.084,411 2.468,412 1.501,413 1.835,415 3.575,416 1.448,417 2.707,418 1.829,419 3.861,420 2.327,421 1.414,422 1.768,424 3.335,425 1.283,426 2.632,427 1.746,428 3.746,429 2.215,430 1.267,431 1.633,433 2.889,434 1.194,435 2.546,436 1.522,437 3.487,438 2.146,439 1.173,440 1.501,442 2.685,443 1.131,444 2.5,445 1.47,446 3.482,447 2,448 1.015,449 1.5,451 2.275,452 1,453 2.5,454 1.398,455 3.414,456 1.964,457 1,458 1.5,460 2.268,461 0.956,462 19.667,463 0.48,464 0.709,465 0.017,466 53.5,467 1.305,468 27,469 0.659,470 26.5,471 0.646,472 37.182,473 0.907,474 43.333,475 0.602,476 44.014,477 1.074,478 10.316,479 0.252,480 9.819,481 0.239,482 0.059,484 0.275,487 0.688,488 1.234,489 0.729,490 1.008,491 0.549,492 0.934,493 0.886,494 1.195,495 1.07,496 1.119,497 0.622,498 0.999,499 1.154,500 1.043,501 0.903,502 0.896,503 0.984,504 0.921,505 1.241,506 1,507 1.122,508 1.035,509 1.267,510 0.971,511 1.552,512 1.005,513 1.097,514 0.966,515 1.64,516 0.952,517 0.941,518 0.969,519 1.011,520 0.963,521 0.963,522 1.037,523 0.504,524 1.039,525 0.826,526 0.998,527 0.497,528 1.079,529 0.741,530 0.922,531 0.932,532 0.967,533 0.746,534 0.987,535 5.5,536 0.247,537 4.222,538 2.25,539 1.544,540 1.001,541 0.745,542 0.448,543 0.347,544 0.355,545 32539,546 90301,547 2.12,548 43.1,549 2,550 15,551 2,552 4,553 1,554 2,555 5,558 1.804,559 2.033,560 4.07,561 -0.376,567 117.465,568 1.631,569 3.856,570 5.142,571 5.705,572 5.798,573 5.826,574 3.635,575 5.016,576 5.322,577 4.287,578 3515.11,579 9.393,580 66681.5,585 444.235,586 1.182,587 5.311,588 0.122,589 0.005,590 0.07,591 0.037,592 0.026,593 0.017,594 0.014,595 0.009,596 0.008,597 0.008,598 0.316,599 0.33,600 0.63,601 1.583,602 238.748,603 0.048,604 -0.111,605 0.07,606 -0.018,607 0.011,608 0.001,609 0.034,610 -0.103,611 -0.052,612 -0.062,613 0.05,614 -0.042,615 -0.135,616 -0.03,617 0.04,618 0.071,619 -0.071,620 0.043,621 -0.079,622 0.048,623 -0.044,624 -0.014,625 -0.067,626 -0.019,627 -0.208,628 -0.003,629 -0.087,630 0.016,631 -0.207,632 -0.012,633 0.016,634 0.016,635 -0.109,636 -0.013,637 -0.056,638 -0.061,639 0.124,640 -0.071,641 0.031,642 -0.059,643 0.083,644 -0.065,645 0.082,646 0.035,647 0.052,648 0.015,649 0.078,650 0.031,651 1.867,652 6.198,653 0.634,654 64.148,655 1.005,656 1.12,657 2.888,658 8.342,659 0.686,660 3.829,661 4.111,662 4.394,663 4.663,664 4.836,665 4.934,666 5.112,667 5.198,668 5.293,669 5.38,670 10.176,671 0.653,672 569.74,673 3.829,674 5.352,675 6.196,676 7.062,677 7.928,678 8.806,679 9.684,680 10.571,681 11.457,682 12.35,683 6.9,690 1,691 1,692 1,693 2,699 14,700 2,704 6,705 1,706 23,709 1,712 1,724 72,726 26,727 1,728 45,730 76,731 31,733 20,734 2,735 4,736 2,739 5,740 6,745 1,751 3,753 23,754 8,756 3,761 2,764 1,765 3,772 31,773 8,774 1,775 10,776 1,779 5,784 0.8,785 4,795 2,797 1,801 2,802 3,804 1,819 1,832 4,833 1,834 1,836 1,840 41,846 6,847 1,848 2,849 1,850 1,862 5.6,865 2,867 2,869 20.167,870 13.133,871 9.278,872 4.45,874 3.992,875 1.466,876 0.975,877 9.975,878 12.561,879 4.103,880 4.642,881 5.199,882 5.749,883 6.197,884 6.408,885 6.819,886 7.157,887 7.467,888 7.784,889 1,890 61,891 15.163,893 6.374,894 7.736,895 28.978,897 23.486,899 2.236,900 91.667,904 353.133,905 222.165,906 72.881,908 72.509,910 32.22,911 189.945,912 425.642,913 72.881,914 8.825,915 35.699,916 94.334,917 145.598,918 95.206,919 26.299,920 314.726,922 353.133,923 262.826,924 72.509,925 32.22,927 294.278,928 131.364,931 102.013,932 127.242,933 33.571,934 32.22,935 353.133,936 145.389,937 222.165,940 353.133,941 82.816,942 141.248,943 18.011,944 125.479,945 353.133,946 145.389,947 222.165,949 0.563,950 0.329,951 0.184,952 0.094,953 26,954 11,955 0.171,956 13,957 1,958 1.077,959 5.258,960 393.757,961 0.077,962 26,963 213.66,964 1,968 28.751,969 14.225,970 7.307,972 143.49,973 26.127,974 8.449,978 5.092,979 2.146,980 18.011,981 720.687,982 59.5,987 24.701,990 4.383,991 0.282,994 72.381,995 80.647,996 0.264,997 0.625,998 0.833,999 0.925,1000 0.94,1001 0.944,1002 5.317,1003 1.781,1004 6.146,1005 6.038,1006 4.796,1007 5.33,1008 3.968,1009 6.936,1010 4.714,1011 6.49,1012 1.635,1013 7.684,1014 4.32,1015 4.205,1016 4.924,1017 2.656,1018 7.825,1019 4.121,1020 7.773,1021 1.501,1022 9.331,1023 3.876,1024 6.351,1025 7.442,1026 6.167,1027 10.967,1028 6.201,1029 9.096,1030 1.414,1031 11.048,1032 3.575,1033 6.686,1034 7.93,1035 5.13,1036 12.777,1037 6.517,1038 10.457,1039 1.267,1040 12.812,1041 3.335,1042 8.223,1043 9.856,1044 8.613,1045 15.417,1046 8.004,1047 11.844,1048 1.173,1049 14.609,1050 2.889,1051 8.992,1052 10.771,1053 7.742,1054 17.58,1055 8.737,1056 13.253,1057 1.015,1058 16.43,1059 2.685,1060 10.286,1061 12.435,1062 11.15,1063 20.065,1064 9.987,1065 3.267,1066 1,1067 18.269,1068 2.275,1069 11.261,1070 13.575,1071 10.454,1072 22.37,1073 10.918,1074 3.017,1075 11.502,1076 20.121,1077 2.268,1078 12.459,1079 15.112,1080 13.726,1081 24.806,1082 12.073,1083 2.785,1084 10.18,1085 21.983,1086 4.211,1087 13.531,1088 16.375,1089 13.201,1090 27.173,1091 13.097,1092 2.509,1093 9.325,1094 23.853,1095 3.969,1096 14.696,1097 17.848,1098 16.318,1099 29.594,1100 14.216,1101 2.373,1102 7.393,1103 25.731,1104 3.548,1105 15.814,1106 19.179,1107 15.949,1108 31.991,1109 15.284,1110 2.226,1111 6.576,1112 27.613,1113 3.468,1114 16.971,1115 20.623,1116 18.919,1117 34.411,1118 16.393,1119 2.051,1120 6.066,1121 29.501,1122 3.015,1123 18.111,1124 21.992,1125 18.686,1126 36.823,1127 17.481,1128 30694,1129 51283,1130 30.8,1131 49.392,1132 66.697,1133 72.18,1134 67.897,1135 66.009,1136 66.084,1137 86.094,1138 21.611,1139 182.199,1140 63.253,1141 5.488,1142 6.594,1143 6.712,1144 5.343,1145 5.267,1146 7.211,1147 7.34,1148 19.021,1149 5.096,1150 16.208,1151 1.482,1152 1.604,1153 1.509,1154 1.467,1155 1.469,1156 1.913,1157 0.48,1158 4.049,1159 1.406,1160 4.087,1161 4.12,1162 4.17,1163 3.995,1164 7.433,1165 3.989,1166 3.969,1167 4,1168 3.936,1169 3.894,1170 7.428,1171 3.893,1172 3.824,1173 3.864,1174 3.77,1175 3.721,1176 5.012,1177 3.726,1178 3.784,1179 3.825,1180 3.724,1181 3.69,1182 4.908,1183 3.692,1184 3.746,1185 3.788,1186 3.629,1187 3.579,1188 4.801,1189 3.577,1190 3.527,1191 3.579,1192 3.515,1193 3.294,1194 4.716,1195 3.3,1196 3.38,1197 3.426,1198 3.388,1199 3.233,1200 4.661,1201 3.206,1202 3.3,1203 3.346,1204 3.234,1205 3.114,1206 4.467,1207 3.104,1208 0.102,1209 0.102,1210 0.153,1211 0.094,1212 0.073,1213 4.568,1214 0.094,1215 4.594,1216 0.083,1217 6.883,1218 0.256,1219 4.209,1220 0.069,1221 3.267,1222 4.211,1223 3.723,1224 11.502,1225 3.096,1226 1.947,1227 1.922,1228 2.036,1229 2.045,1230 1.279,1231 2.043,1232 1.853,1233 1.819,1234 1.954,1235 1.977,1236 1.134,1237 1.976,1238 1.789,1239 1.754,1240 1.952,1241 1.92,1242 1.104,1243 1.923,1244 1.711,1245 1.662,1246 1.903,1247 1.905,1248 0.973,1249 1.911,1250 1.613,1251 1.596,1252 1.8,1253 1.746,1254 0.94,1255 1.758,1256 1.483,1257 1.42,1258 1.699,1259 1.728,1260 0.929,1261 1.722,1262 1.463,1263 1.402,1264 1.608,1265 1.672,1266 0.77,1267 1.659,1268 1.273,1269 1.221,1270 1.54,1271 1.539,1272 0.711,1273 1.536,1274 4.511,1276 5.802,1277 3.045,1278 7.286,1279 5.416,1280 8.861,1281 7.535,1282 10.49,1284 1.794,1290 3.218,1291 3.024,1292 10.556,1293 1.778,1294 0.115,1300 47.002,1301 117.465,1302 277.647,1303 370.196,1304 410.725,1305 417.48,1306 419.48,1307 80.169,1308 8.569,1309 107.7,1310 133,1311 28,1312 12.879,1313 4.755,1314 3.954,1315 66.642,1316 251,1317 291,1318 0.126,1319 291.27,1320 511.17,1321 702.458,1322 76828,1324 28.443,1325 0.694,1326 0.574,1327 28.796,1328 23.549,1329 20.135,1330 0.447,1331 0.324,1332 13.437,1333 18.901,1334 13.065,1335 10.814,1336 20.589,1337 14.576,1338 17.149,1339 0.286,1340 0.174,1341 17.674,1342 10.41,1343 14.526,1344 0.182,1345 0.098,1346 15.261,1347 7.803,1348 12.378,1349 0.118,1350 0.056,1351 13.274,1352 5.85,1353 9.441,1354 0.076,1355 0.03,1356 10.237,1357 3.8,1358 0.206,1359 130.816,1360 0.18,1361 37.587,1362 0.324,1363 210,1364 646.716,1365 253.097,1366 637.622,1367 867.41,1368 600,1369 245,1370 619.646,1371 286.951,1372 631.864,1373 922.1,1374 595,1375 8.444} {0 CHEMBL263516,1 1.381,2 21.66,3 7.911,4 62.578,5 193.653,6 6.791,7 0.34,8 4.672,9 4.781,10 4.133,11 4.19,12 5.747,13 4.152,14 5.231,15 5.396,16 4.463,17 4.581,18 6.315,19 4.51,20 5.552,21 5.761,22 4.543,23 4.758,24 6.49,25 4.656,26 5.693,27 5.93,28 4.532,29 4.8,30 6.601,31 4.685,32 5.653,33 5.877,34 4.563,35 4.865,36 6.533,37 4.739,38 5.774,39 6.025,40 4.576,41 4.906,42 6.64,43 4.762,44 5.761,45 6.011,46 4.53,47 4.87,48 6.626,49 4.725,50 5.704,51 5.952,52 4.49,53 4.822,54 6.587,55 4.679,56 0.068,57 1.294,58 22.887,59 10.547,60 21.931,61 13.499,62 0.549,63 2.102,64 42.11,65 17.331,66 91.448,67 22.994,68 0.5,69 2.724,70 59.449,71 22.925,72 97.068,73 30.983,74 1.109,75 2.96,76 71.024,77 24.983,78 139.267,79 33.997,80 0.568,81 3.049,82 65.645,83 25.794,84 100.325,85 35.403,86 0.8,87 3.343,88 75.283,89 28.195,90 130.801,91 39.55,92 1.032,93 3.242,94 75.1,95 27.418,96 126.583,97 38.283,98 0.719,99 3.077,100 70.306,101 26.291,102 113.016,103 36.597,104 74,105 70,106 0.201,107 0.52,108 0.741,109 0.87,110 0.895,111 0.898,112 3.934,113 0.997,114 -5.43,115 -5.31,116 -4.96,118 40.6,119 2,120 10,121 1,122 1,124 2,126 1,127 1,133 3,134 1,140 10,141 3,142 2,143 2,154 2,163 2,167 2,168 27,169 2,171 1,172 12,175 2,177 4,180 29,181 2,186 16,191 4,194 26,195 2,198 13,201 1,203 4,206 27,207 2,210 13,215 3,218 31,219 2,222 13,225 1,227 4,229 31,230 2,233 2,234 8,239 6,242 32,243 2,246 1,247 5,248 2,252 4,255 29,256 4,258 2,259 11,260 1,262 2,264 6,267 22,268 4,270 6672,271 33.509,272 33.509,273 33.509,274 33.509,275 33.509,276 30.422,277 26.047,278 20.6,279 33.842,280 26.209,281 26.209,282 26.209,283 26.209,284 26.209,285 21.745,286 23.31,287 9.847,288 26.765,289 5.277,290 3.087,291 1.566,292 0.683,293 0.51,294 0.49,295 4.625,301 2265,302 5.831,306 839.925,313 3.101,314 57.02,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 108.5,326 1083,327 4.416,328 3.67,329 7.3,330 4.387,331 3.394,332 3.968,333 2.341,334 12.451,335 3.373,336 4.38,337 3.597,338 6.654,339 4.038,340 3.062,341 3.854,342 2.341,343 10.668,344 3.008,345 4.268,346 3.596,347 6.5,348 4.013,349 3.016,350 3.471,351 1.465,352 10.18,353 2.982,354 3.909,355 3.313,356 5.68,357 3.477,358 2.522,359 3.375,360 0.86,361 7.459,362 2.412,363 3.644,364 3.051,365 5.414,366 3.438,367 2.465,368 2.922,369 0.811,370 7.106,371 2.394,372 3.554,373 2.835,374 5.134,375 3.24,376 2.235,377 2.76,379 6.126,380 2.222,381 3.552,382 2.684,383 4.875,384 3.238,385 2.233,386 2.71,388 5.191,389 2.219,390 3.535,391 2.243,392 4.659,393 3.097,394 2.131,395 2.709,397 5.184,398 2.048,399 3.13,400 2.21,401 4.659,402 2.792,403 1.806,404 2.233,406 5.129,407 1.775,408 3.062,409 2.14,410 4.537,411 2.702,412 1.717,413 2.205,415 4.383,416 1.687,417 2.876,418 1.965,419 4.158,420 2.645,421 1.663,422 2.025,424 3.874,425 1.63,426 2.826,427 1.905,428 3.831,429 2.52,430 1.55,431 1.903,433 3.309,434 1.498,435 2.757,436 1.743,437 3.726,438 2.455,439 1.471,440 1.797,442 3.166,443 1.443,444 2.732,445 1.535,446 3.636,447 2.421,448 1.44,449 1.73,451 3.111,452 1.408,453 2.552,454 1.509,455 3.63,456 2.391,457 1.414,458 1.548,460 3.032,461 1.374,462 23.567,463 0.471,464 1.122,465 0.022,466 54.25,467 1.085,468 24.5,469 0.49,470 29.75,471 0.595,472 61.004,473 1.22,474 56.833,475 0.563,476 48.841,477 0.977,478 10.314,479 0.206,480 13.822,481 0.276,482 0.113,483 0.021,484 0.233,487 0.838,488 1.219,489 0.902,490 1.172,491 0.787,492 1.067,493 0.768,494 1.151,495 0.969,496 1.144,497 0.484,498 1.098,499 0.993,500 1.137,501 1.027,502 1.135,503 0.845,504 1.095,505 1.262,506 0.847,507 1.044,508 0.851,509 0.822,510 0.904,511 0.843,512 1.104,513 1.034,514 1.107,515 0.666,516 1.105,517 0.782,518 1.025,519 0.97,520 1.029,521 0.648,522 1.03,523 0.895,524 0.962,525 1.012,526 0.978,527 0.646,528 1.009,529 0.859,530 1.036,531 0.999,532 1.056,533 0.784,534 1.054,535 9,536 0.334,537 5.333,538 2.875,539 2.049,540 1.618,541 1.153,542 0.766,543 0.702,544 0.444,545 55041,546 147538,547 2.012,548 50.5,549 20,550 18,551 1,552 2,553 3,554 4,555 2,556 1,558 1.849,559 1.893,560 4.313,561 0.601,567 139.526,568 1.381,569 3.571,570 5.092,571 5.975,572 6.148,573 6.168,574 3.749,575 5.149,576 5.613,577 4.566,578 5593.21,579 9.964,580 128151,585 672.479,586 1.418,587 5.574,588 0.17,589 0.006,590 0.076,591 0.039,592 0.028,593 0.022,594 0.016,595 0.011,596 0.01,597 0.007,598 0.385,599 0.17,600 0.63,601 1.625,602 311.102,603 -0.049,604 -0.014,605 0.023,606 0.01,607 -0.066,608 0.026,609 0.122,610 -0.04,611 -0.014,612 -0.049,613 0.173,614 -0.053,615 -0.065,616 -0.106,617 -0.055,618 -0.099,619 -0.058,620 -0.079,621 -0.122,622 0.123,623 -0.032,624 0.127,625 -0.059,626 0.072,627 -0.061,628 -0.075,629 -0.083,630 -0.069,631 -0.041,632 -0.079,633 -0.002,634 -0.03,635 -0.011,636 -0.028,637 -0.004,638 -0.022,639 -0.01,640 0.02,641 -0.037,642 0.011,643 -0.021,644 -0.013,645 -0.028,646 -0.05,647 -0.034,648 -0.056,649 -0.056,650 -0.048,651 2.485,652 4.657,653 0.48,654 91.235,655 0.998,656 1.124,657 4.205,658 17.678,659 0.64,660 3.989,661 4.263,662 4.454,663 4.654,664 4.875,665 4.942,666 5.069,667 5.136,668 5.176,669 5.159,670 12.375,671 0.603,672 685.93,673 3.989,674 5.509,675 6.323,676 7.174,677 8.013,678 8.875,679 9.728,680 10.597,681 11.459,682 12.333,683 1,693 1,699 12,700 1,704 5,706 18,721 1,722 1,724 101,726 22,727 2,728 53,730 104,731 41,733 17,734 4,735 8,736 2,739 4,740 4,745 2,746 1,748 1,749 1,751 11,753 23,754 18,755 1,756 4,761 2,763 3,765 3,772 51,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,836 2,840 50,845 3,846 12,848 3,850 3,852 1,862 7.9,864 3,865 2,866 2,867 1,869 26.417,870 17.883,871 11.264,872 6.304,874 2.782,875 1.33,876 0.901,877 15.709,878 11.209,879 4.205,880 4.677,881 5.092,882 5.547,883 6.027,884 6.125,885 6.456,886 6.707,887 6.897,888 7.056,889 1,890 73,891 18.613,893 7.776,894 7.822,895 35.67,897 29.024,899 2.322,900 116.083,904 565.013,905 213.632,906 16.786,908 211.34,911 213.632,912 776.352,913 16.786,914 17.65,915 34.53,916 123.551,917 242.487,918 47.08,919 11.771,920 529.7,922 565.013,923 230.417,924 211.34,927 529.7,928 224.653,929 22,930 0.36,931 70.275,932 114.568,933 45.214,935 565.013,936 228.125,937 213.632,940 565.372,941 54.336,942 158.936,944 228.125,945 565.013,946 228.125,947 213.632,949 0.566,950 0.309,951 0.159,952 0.088,953 26,954 13,955 0.192,956 20,958 1,959 5.859,960 490.248,962 24,963 276.193,968 38.988,969 20.146,970 12.797,972 228.125,973 22.838,974 4.28,978 3.793,980 128.05,981 1006.77,982 66,987 21.705,989 6.022,991 -0.517,994 100.81,995 113.554,996 0.207,997 0.536,998 0.765,999 0.897,1000 0.923,1001 0.926,1002 5.432,1003 2.131,1004 6.293,1005 5.191,1006 4.949,1007 5.366,1008 3.227,1009 7.072,1010 4.908,1011 6.594,1012 1.806,1013 7.836,1014 5.184,1015 4.511,1016 4.987,1017 2.882,1018 8.143,1019 4.465,1020 7.871,1021 1.717,1022 9.498,1023 5.129,1024 6.529,1025 7.372,1026 4.448,1027 11.19,1028 6.46,1029 9.181,1030 1.663,1031 11.24,1032 4.383,1033 6.967,1034 7.799,1035 4.797,1036 13.171,1037 6.898,1038 10.527,1039 1.55,1040 13.039,1041 3.874,1042 8.453,1043 9.68,1044 5.949,1045 15.801,1046 8.364,1047 11.897,1048 1.471,1049 14.877,1050 3.309,1051 9.3,1052 10.501,1053 6.581,1054 18.103,1055 9.212,1056 13.288,1057 1.44,1058 16.744,1059 3.166,1060 10.584,1061 12.152,1062 7.564,1063 20.622,1064 10.483,1065 3.394,1066 1.414,1067 18.632,1068 3.111,1069 11.62,1070 13.19,1071 8.318,1072 23.04,1073 11.518,1074 3.062,1075 12.451,1076 20.537,1077 3.032,1078 12.832,1079 14.718,1080 9.228,1081 25.533,1082 12.721,1083 3.016,1084 10.668,1085 22.454,1086 3.968,1087 13.953,1088 15.882,1089 10.035,1090 27.996,1091 13.84,1092 2.522,1093 10.18,1094 24.381,1095 3.854,1096 15.143,1097 17.34,1098 10.912,1099 30.487,1100 15.024,1101 2.465,1102 7.459,1103 26.316,1104 3.471,1105 16.303,1106 18.581,1107 11.744,1108 32.972,1109 16.18,1110 2.235,1111 7.106,1112 28.257,1113 3.375,1114 17.491,1115 19.998,1116 12.606,1117 35.468,1118 17.363,1119 2.233,1120 6.126,1121 30.204,1122 2.922,1123 18.671,1124 21.286,1125 13.448,1126 37.964,1127 18.538,1128 53528,1129 87797,1130 34.959,1131 64.677,1132 77.912,1133 79.06,1134 78.598,1135 76.787,1136 76.729,1137 94.157,1138 15.636,1139 209.057,1140 75.01,1141 5.416,1142 5.67,1143 7.102,1144 5.46,1145 5.394,1146 6.968,1147 3.925,1148 19.756,1149 5.373,1150 28.189,1151 1.47,1152 1.492,1153 1.483,1154 1.449,1155 1.448,1156 1.777,1157 0.295,1158 3.944,1159 1.415,1160 4.035,1161 4.062,1162 3.97,1163 3.959,1164 7.477,1165 3.957,1166 3.966,1167 3.988,1168 3.906,1169 3.885,1170 7.472,1171 3.886,1172 3.829,1173 3.868,1174 3.744,1175 3.723,1176 6.469,1177 3.72,1178 3.798,1179 3.831,1180 3.718,1181 3.704,1182 6.352,1183 3.703,1184 3.752,1185 3.797,1186 3.634,1187 3.648,1188 6.35,1189 3.636,1190 3.724,1191 3.773,1192 3.598,1193 3.586,1194 4.938,1195 3.577,1196 3.624,1197 3.663,1198 3.504,1199 3.458,1200 4.829,1201 3.46,1202 3.514,1203 3.567,1204 3.391,1205 3.357,1206 4.81,1207 3.351,1208 0.083,1209 0.069,1210 0.138,1211 0.083,1212 0.064,1213 4.416,1214 0.075,1215 3.67,1216 0.044,1217 7.3,1218 0.235,1219 4.387,1220 0.064,1221 3.394,1222 3.968,1223 2.341,1224 12.451,1225 3.373,1226 1.973,1227 1.951,1228 2.08,1229 2.068,1230 1.412,1231 2.07,1232 1.939,1233 1.917,1234 2.071,1235 2.052,1236 1.344,1237 2.059,1238 1.825,1239 1.784,1240 2.021,1241 1.96,1242 1.326,1243 1.981,1244 1.781,1245 1.749,1246 1.95,1247 1.906,1248 1.153,1249 1.918,1250 1.758,1251 1.714,1252 1.948,1253 1.893,1254 1.142,1255 1.911,1256 1.717,1257 1.665,1258 1.898,1259 1.886,1260 1.087,1261 1.897,1262 1.589,1263 1.545,1264 1.82,1265 1.785,1266 1.013,1267 1.794,1268 1.51,1269 1.452,1270 1.776,1271 1.701,1272 0.939,1273 1.727,1274 4.673,1276 5.958,1278 7.43,1280 8.993,1282 10.61,1284 4.287,1289 28.493,1290 7.321,1292 18.965,1294 -0.821,1296 -0.282,1300 60.91,1301 139.526,1302 360.708,1303 514.292,1304 603.46,1305 620.97,1306 622.97,1307 162.266,1308 8.427,1309 135.41,1310 135.41,1311 24,1312 12.877,1313 4.524,1314 3.807,1315 105.148,1316 381,1317 364,1318 0.131,1319 375.191,1320 682.72,1321 907.226,1322 69254,1324 35.771,1325 0.715,1326 0.584,1327 35.771,1328 29.208,1329 24.136,1330 0.455,1331 0.332,1332 17.419,1333 23.332,1334 16.984,1335 14.122,1336 24.136,1337 17.611,1338 21.354,1339 0.305,1340 0.193,1341 21.354,1342 13.498,1343 16.242,1344 0.191,1345 0.106,1346 16.242,1347 8.987,1348 12.805,1349 0.123,1350 0.059,1351 12.805,1352 6.147,1353 10.318,1354 0.079,1355 0.033,1356 10.318,1357 4.282,1358 0.217,1359 150.835,1360 0.169,1361 44.258,1362 0.329,1363 246,1364 722.772,1365 269.862,1366 682.434,1367 901.4,1368 636,1369 278,1370 624.931,1371 299.764,1372 629.701,1373 911.77,1374 591,1375 7.523} {0 CHEMBL264871,1 1.342,2 10.08,3 4.542,4 20.63,5 100.158,6 7.205,7 0.63,8 3.893,9 4,10 3.427,11 3.525,12 5.019,13 3.478,14 4.385,15 4.538,16 3.72,17 3.897,18 5.526,19 3.816,20 4.666,21 4.881,22 3.732,23 4.026,24 5.619,25 3.909,26 4.662,27 4.884,28 3.663,29 3.996,30 5.587,31 3.865,32 4.663,33 4.886,34 3.667,35 3.99,36 5.594,37 3.86,38 4.692,39 4.926,40 3.647,41 3.983,42 5.628,43 3.849,44 4.658,45 4.894,46 3.591,47 3.952,48 5.549,49 3.809,50 4.628,51 4.877,52 3.516,53 3.865,54 5.533,55 3.716,56 0.036,57 0.565,58 9.226,59 4.447,60 8.233,61 5.744,62 0.168,63 0.928,64 16.074,65 7.352,66 34.43,67 9.844,68 0.172,69 1.198,70 23.203,71 9.984,72 35.31,73 13.48,74 0.157,75 1.195,76 23.17,77 10,78 32.985,79 13.62,80 0.158,81 1.203,82 23.237,83 9.92,84 34.24,85 13.534,86 0.188,87 1.252,88 24.279,89 9.966,90 38.23,91 13.695,92 0.145,93 1.213,94 23.265,95 9.804,96 28.605,97 13.608,98 0.124,99 1.173,100 22.887,101 9.496,102 24.441,103 13.282,104 11,105 35,106 0.229,107 0.55,108 0.721,109 0.849,110 0.889,111 0.904,112 3.267,113 0.95,114 -4.91,115 -4.81,116 -4.52,118 47.8,120 4,133 1,134 1,140 9,141 4,143 2,154 1,163 1,167 1,168 20,169 1,172 3,175 1,177 1,180 25,181 1,186 3,191 1,194 26,195 1,198 3,203 1,206 23,207 1,210 4,215 1,218 21,219 1,222 4,227 1,229 19,230 1,234 4,239 1,242 16,243 2,247 5,252 2,255 11,256 3,259 4,260 1,264 3,267 6,268 3,270 1115,271 17.173,272 17.173,273 17.173,274 17.173,275 17.173,276 14.79,277 5.568,278 10.686,279 17.243,280 13.386,281 13.386,282 13.386,283 13.386,284 13.386,285 9.899,286 1.893,287 5.13,288 13.486,289 4.181,290 2.295,291 1.289,292 0.538,293 0.304,294 0.217,295 3.954,299 1,300 1,301 534,302 3.606,306 226.22,310 118.384,313 1.456,314 17.379,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 52.5,326 252,327 4.481,328 3.596,329 6.524,330 4.065,331 3.066,332 4.364,333 2.341,334 10.284,335 3.064,336 4.23,337 3.078,338 6.132,339 3.785,340 2.787,341 3.83,343 9.015,344 2.783,345 3.606,346 2.795,347 5.204,348 3.24,349 2.235,350 3.088,352 6.238,353 2.222,354 3.55,355 2.159,356 4.659,357 3.137,358 2.149,359 2.71,361 5.184,362 2.123,363 3.123,364 1.929,365 4.432,366 2.703,367 1.707,368 2.427,370 4.399,371 1.698,372 3.118,373 1.618,374 4.15,375 2.618,376 1.618,377 2.359,379 3.851,380 1.618,381 2.858,382 1.546,383 3.642,384 2.486,385 1.501,386 2.023,388 3.141,389 1.477,390 2.756,391 1.368,392 3.607,393 2.356,394 1.365,395 1.792,397 2.966,398 1.35,399 2.5,400 1.307,401 3.4,402 2.033,403 1.038,404 1.5,406 2.375,407 1.03,408 2.426,409 1,410 3.247,411 1.956,412 1,413 1.35,415 2.136,416 0.953,417 2.16,418 0.797,419 3.158,420 1.697,421 0.697,422 0.994,424 1.589,425 0.697,426 1.658,427 0.65,428 2.855,429 1.439,430 0.44,431 0.523,433 1.017,434 0.437,435 1.076,436 0.42,437 2.442,438 0.769,439 -0.234,440 -0.262,442 -0.528,443 -0.232,444 0.882,445 0.034,446 2.192,447 0.482,448 -0.512,449 -0.706,451 -1.21,452 -0.507,453 0.86,454 -0.481,455 2.159,456 0.382,457 -0.618,458 -0.927,460 -1.598,461 -0.618,462 12.067,463 0.483,464 0.435,465 0.017,466 33.5,467 1.34,468 19,469 0.76,470 14.5,471 0.58,472 18.296,473 0.732,474 25.733,475 0.559,476 23.352,477 0.934,478 6.635,479 0.265,480 5.602,481 0.224,482 0.055,484 0.249,487 0.735,488 1.011,489 0.831,490 0.946,491 0.702,492 0.908,493 0.451,494 1.058,495 0.946,496 1.059,497 0.409,498 1.054,499 0.824,500 0.92,501 0.965,502 0.934,503 0.857,504 0.963,505 0.732,506 0.989,507 1.001,508 1.009,509 0.758,510 1.033,511 0.75,512 1.023,513 1.002,514 1.016,515 0.772,516 1.035,517 0.821,518 0.986,519 1.026,520 0.978,521 0.753,522 1.013,523 0.617,524 1.063,525 1.02,526 1.059,527 0.583,528 1.076,529 0.575,530 1.112,531 0.972,532 1.099,533 0.549,534 1.078,535 3.5,536 0.103,537 2.222,538 1.125,539 0.907,540 0.5,541 0.363,542 0.205,543 0.234,544 0.159,545 7051,546 19037,547 2.085,548 45.7,549 6,550 10,552 2,553 1,554 2,558 1.684,559 2,560 3.303,561 -0.435,567 61.738,568 1.342,569 3.229,570 4.235,571 4.985,572 5.219,573 5.306,574 2.744,575 4.244,576 4.608,577 3.486,578 1045.69,579 7.996,580 12953.7,582 1,585 254.084,586 1.164,587 4.597,588 0.13,589 0.007,590 0.063,591 0.032,592 0.028,593 0.016,594 0.012,595 0.007,596 0.009,597 0.007,598 0.311,599 0.5,600 1,601 1.592,602 120.995,603 -0.045,604 0.023,605 0.02,606 0.056,607 -0.051,608 0.045,609 0.188,610 -0.037,611 -0.065,612 -0.067,613 0.203,614 -0.088,615 -0.072,616 0.054,617 -0.023,618 0.061,619 -0.079,620 0.029,621 -0.051,622 -0.019,623 -0.06,624 -0.014,625 -0.073,626 -0.036,627 -0.049,628 -0.045,629 -0.058,630 -0.026,631 -0.08,632 -0.042,633 -0.075,634 0.012,635 -0.068,636 -0.002,637 -0.054,638 -0.028,639 -0.025,640 -0.072,641 -0.076,642 -0.077,643 -0.037,644 -0.081,645 0.041,646 -0.127,647 -0.014,648 -0.121,649 0.019,650 -0.079,651 2.397,652 3.64,653 0.64,654 23.984,655 0.991,656 1.11,657 3.679,658 13.534,659 0.685,660 3.332,661 3.584,662 3.807,663 4.043,664 4.277,665 4.29,666 4.443,667 4.554,668 4.605,669 4.489,670 6.171,671 0.646,672 331.44,673 3.332,674 4.828,675 5.645,676 6.491,677 7.332,678 8.19,679 9.044,680 9.908,681 10.77,682 11.639,683 2.2,693 1,698 2,699 11,700 1,704 2,706 17,724 46,726 19,727 2,728 27,730 48,731 22,733 15,734 3,735 7,736 2,739 3,740 4,751 4,753 18,754 4,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,802 3,806 1,818 1,822 1,823 1,830 1,832 2,840 25,845 1,846 4,862 4.3,864 1,865 1,869 12.5,870 8.067,871 5.667,872 2.871,874 3.195,875 1.464,876 0.967,877 5.713,878 10.084,879 3.651,880 4.22,881 4.796,882 5.387,883 5.984,884 6.247,885 6.72,886 7.125,887 7.495,888 7.573,889 0.857,890 35,891 9.209,893 3.801,894 7.74,895 17.762,897 14.365,899 2.24,900 56,903 1,904 235.422,905 138.608,906 16.786,908 67.828,911 138.608,912 303.25,913 16.786,915 10.138,916 94.762,917 109.066,918 32.797,920 211.88,922 235.422,923 155.393,924 67.828,927 235.422,928 67.828,931 28.233,932 100.899,933 26.262,935 235.422,936 84.614,937 138.608,940 235.422,941 25.751,942 112.857,944 84.614,945 235.422,946 84.614,947 138.608,949 0.558,950 0.309,951 0.169,952 0.094,953 15,954 6,955 0.146,956 7,957 1,958 1.125,959 3.784,960 196.654,961 0.125,962 16,963 116.096,968 17.07,969 8.367,970 4.62,971 2.43,972 84.614,973 22.439,974 4.242,978 2.237,980 42.683,981 458.644,982 37.5,987 10.64,989 2.197,991 0.417,994 45.592,995 51.069,996 0.243,997 0.585,998 0.767,999 0.903,1000 0.945,1001 0.961,1002 4.83,1003 1.365,1004 5.58,1005 3.141,1006 4.263,1007 4.905,1008 2.258,1009 6.319,1010 4.25,1011 6.015,1012 1.038,1013 7.084,1014 2.966,1015 3.611,1016 4.527,1017 2.243,1018 7.111,1019 3.604,1020 7.295,1021 1,1022 8.698,1023 2.375,1024 5.765,1025 7.096,1026 3.628,1027 10.223,1028 5.748,1029 8.616,1030 0.697,1031 10.382,1032 2.136,1033 5.994,1034 7.61,1035 4.112,1036 11.933,1037 5.986,1038 9.972,1039 0.44,1040 12.114,1041 1.589,1042 7.566,1043 9.598,1044 5.201,1045 14.53,1046 7.548,1047 11.355,1048 -0.234,1049 13.879,1050 1.017,1051 8.238,1052 10.567,1053 5.889,1054 16.594,1055 8.229,1056 12.76,1057 -0.512,1058 15.669,1059 -0.528,1060 9.545,1061 12.281,1062 6.849,1063 19.012,1064 9.528,1065 3.066,1066 -0.618,1067 17.476,1068 -1.21,1069 10.441,1070 13.489,1071 7.625,1072 21.219,1073 10.43,1074 2.787,1075 10.284,1076 19.296,1077 -1.598,1078 11.628,1079 15.069,1080 8.526,1081 23.571,1082 11.613,1083 2.235,1084 9.015,1085 21.124,1086 4.364,1087 12.633,1088 16.401,1089 9.342,1090 25.837,1091 12.621,1092 2.149,1093 6.238,1094 22.96,1095 3.83,1096 13.77,1097 17.917,1098 10.216,1099 28.166,1100 13.754,1101 1.707,1102 5.184,1103 24.802,1104 3.088,1105 14.827,1106 19.313,1107 11.051,1108 30.459,1109 14.813,1110 1.618,1111 4.399,1112 26.647,1113 2.71,1114 15.944,1115 20.799,1116 11.912,1117 32.78,1118 15.928,1119 1.501,1120 3.851,1121 28.496,1122 2.427,1123 17.026,1124 22.229,1125 12.755,1126 35.087,1127 17.011,1128 6918,1129 11437,1130 18.375,1131 31.529,1132 39.598,1133 40.078,1134 39.8,1135 39.209,1136 39.203,1137 53.92,1138 4.682,1139 104.389,1140 38.902,1141 5.339,1142 5.596,1143 6.326,1144 5.101,1145 5.066,1146 7.364,1147 3.925,1148 17.111,1149 5.064,1150 9.603,1151 1.467,1152 1.484,1153 1.474,1154 1.452,1155 1.452,1156 1.997,1157 0.173,1158 3.866,1159 1.441,1160 4.103,1161 4.124,1162 4.057,1163 4.068,1164 7.474,1165 4.063,1166 3.884,1167 3.92,1168 3.824,1169 3.809,1170 6.351,1171 3.808,1172 3.727,1173 3.777,1174 3.604,1175 3.591,1176 4.949,1177 3.583,1178 3.537,1179 3.572,1180 3.455,1181 3.437,1182 4.858,1183 3.433,1184 3.382,1185 3.421,1186 3.266,1187 3.23,1188 4.398,1189 3.231,1190 3.118,1191 3.158,1192 3.002,1193 2.982,1194 4.156,1195 2.978,1196 3.009,1197 3.059,1198 2.885,1199 2.884,1200 3.911,1201 2.881,1202 2.808,1203 2.876,1204 2.639,1205 2.623,1206 3.822,1207 2.62,1208 0.166,1209 0.133,1210 0.242,1211 0.151,1212 0.114,1213 4.481,1214 0.162,1215 3.596,1216 0.087,1217 6.524,1218 0.381,1219 4.065,1220 0.113,1221 3.066,1222 4.364,1223 2.341,1224 10.284,1225 3.064,1226 2.088,1227 2.071,1228 2.17,1229 2.138,1230 1.342,1231 2.15,1232 1.871,1233 1.84,1234 2.008,1235 1.974,1236 1.276,1237 1.985,1238 1.718,1239 1.667,1240 1.921,1241 1.886,1242 1.037,1243 1.902,1244 1.525,1245 1.489,1246 1.696,1247 1.665,1248 0.838,1249 1.673,1250 1.357,1251 1.314,1252 1.585,1253 1.541,1254 0.699,1255 1.553,1256 1.098,1257 1.056,1258 1.319,1259 1.289,1260 0.429,1261 1.293,1262 1.006,1263 0.962,1264 1.244,1265 1.179,1266 0.337,1267 1.205,1268 0.79,1269 0.729,1270 1.091,1271 1.033,1272 0.197,1273 1.057,1274 4.007,1276 5.273,1278 6.742,1280 8.309,1282 9.93,1289 8.755,1290 2.643,1300 29.719,1301 61.738,1302 148.535,1303 194.8,1304 229.329,1305 240.084,1306 244.084,1307 39.557,1308 6.89,1309 50.19,1310 50.19,1311 18,1312 12.185,1313 4.322,1314 3.524,1315 41.576,1316 85,1317 107,1318 0.222,1319 185.135,1320 321.56,1321 443.488,1322 7961,1324 17.485,1325 0.699,1326 0.562,1327 17.485,1328 14.059,1329 12.237,1330 0.453,1331 0.317,1332 8.508,1333 12.014,1334 8.316,1335 6.935,1336 12.237,1337 8.554,1338 10.472,1339 0.299,1340 0.173,1341 10.472,1342 6.061,1343 8.26,1344 0.188,1345 0.096,1346 8.26,1347 4.226,1348 6.827,1349 0.122,1350 0.053,1351 6.827,1352 2.948,1353 5.648,1354 0.08,1355 0.029,1356 5.648,1357 2.044,1358 0.346,1359 75.078,1360 0.233,1361 24.392,1362 0.617,1363 124,1364 329.53,1365 129.816,1366 327.899,1367 444.49,1368 306,1369 141,1370 318.779,1371 145.157,1372 328.382,1373 471.09,1374 310,1375 7.222} {0 CHEMBL267473,1 1.658,2 8.765,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.728,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.282,19 3.281,20 4.113,21 4.299,22 3.245,23 3.304,24 5.26,25 3.253,26 4.076,27 4.274,28 3.077,29 3.162,30 5.255,31 3.1,32 3.976,33 4.217,34 2.869,35 2.964,36 5.035,37 2.885,38 3.675,39 3.915,40 2.795,41 2.825,42 4.809,43 2.748,44 3.507,45 3.699,46 2.747,47 2.831,48 4.587,49 2.772,50 3.583,51 3.789,52 2.572,53 2.724,54 4.748,55 2.645,56 0.086,57 0.411,58 5.241,59 2.477,60 9.69,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 34.524,67 4.478,68 0.335,69 0.64,70 12.996,71 4.77,72 24.094,73 5.988,74 0.311,75 0.584,76 13.03,77 4.579,78 35.339,79 5.787,80 0.359,81 0.507,82 13.07,83 3.974,84 40.923,85 5.411,86 0.339,87 0.411,88 9.343,89 2.995,90 28.916,91 4.368,92 0.117,93 0.388,94 6.572,95 2.609,96 10.857,97 3.487,98 0.192,99 0.379,100 7.79,101 2.629,102 27.925,103 3.464,104 6,105 23,106 0.32,107 0.699,108 0.83,109 0.856,110 0.856,111 0.856,112 2.905,113 0.862,114 -2.54,115 -2.57,116 -2.51,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 4,181 2,185 1,186 4,191 2,194 2,195 2,198 3,203 2,209 1,210 2,211 1,221 1,222 2,225 1,234 3,247 2,248 1,258 1,259 1,262 1,270 319,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.994,277 10.644,278 7.026,279 11.814,280 8.884,281 8.884,282 8.884,283 8.884,284 8.884,285 6.697,286 9.763,287 3.337,288 9.397,289 3.2,290 1.229,291 0.552,292 0.414,293 0.414,294 0.414,295 3.561,299 1,300 1,301 310,302 2.739,305 53.19,306 59.385,313 1.543,314 18.5,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 149,327 4.165,328 3.576,329 5.929,330 3.777,331 2.785,332 3.756,333 1.437,334 8.227,335 2.758,336 3.921,337 2.887,338 5.364,339 3.462,340 2.548,341 3.479,342 0.86,343 7.02,344 2.326,345 3.695,346 2.625,347 5.285,348 3.299,349 2.354,350 3.036,352 6.761,353 2.21,354 2.817,355 2.029,356 3.814,357 2.406,358 1.465,359 1.848,361 3.161,362 1.364,363 2.691,364 1.568,365 3.579,366 2.226,367 1.251,368 1.73,370 2.839,371 1.202,372 2.5,373 1.168,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.144,382 1,383 3.16,384 1.803,385 0.888,386 1.078,388 1.969,389 0.805,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.215,400 0.476,401 2.508,402 0.896,403 -0.033,404 -0.039,406 -0.078,407 -0.03,408 0.699,409 0.184,410 2,411 0.324,412 -0.621,413 -0.757,415 -1.418,416 -0.573,417 0.5,418 -0.324,419 1.891,421 -1,422 -1.316,424 -2,425 -0.965,426 0.422,427 -0.995,428 1.58,429 -0.01,430 -1,431 -1.5,433 -2.829,434 -1,435 0.036,436 -1,437 1.023,438 -0.312,439 -1.237,440 -1.516,442 -3,443 -1.156,444 -0.118,445 -1.346,446 1,447 -0.68,448 -1.618,449 -1.886,451 -4.249,452 -1.458,453 -0.379,454 -1.618,455 1,456 -0.706,457 -1.621,458 -2.326,460 -4.372,461 -1.495,462 7.8,463 0.459,464 0.332,465 0.02,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.093,473 0.535,474 18.6,475 0.641,476 14.5,477 0.853,478 4.961,479 0.292,480 3.293,481 0.194,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.741,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.482,498 0.937,499 1.029,500 0.959,501 1.084,502 1.087,503 0.751,504 1.099,505 1.168,506 1.134,507 1.157,508 1.234,509 1.121,510 1.21,511 1.063,512 0.872,513 1.005,514 0.915,515 1.012,516 0.947,517 0.329,518 0.791,519 0.673,520 0.716,521 0.229,522 0.763,523 0.632,524 1.159,525 0.914,526 1.093,527 0.547,528 1.072,529 1.06,530 1.194,531 1.222,532 1.16,533 1.419,534 1.221,535 3,536 0.046,537 1.556,538 0.597,539 0.387,540 0.406,541 0.168,542 0.078,543 0.079,544 0.087,545 2673,546 9224,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.558,559 1.925,560 3.137,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.306,571 4.444,572 4.444,573 4.444,574 2.542,575 3.499,576 4.059,577 3.301,578 448.873,579 6.81,580 4269.98,582 1,585 140.881,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.031,592 0.026,593 0.034,594 0.014,595 0.007,596 0.009,597 0.014,598 0.377,599 0.5,600 1,601 0.844,602 72.786,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.098,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.179,614 -0.034,615 -0.096,616 0.006,617 -0.148,618 -0.095,619 -0.022,620 -0.125,621 -0.16,622 -0.233,623 -0.179,624 -0.254,625 -0.114,626 -0.228,627 -0.055,628 -0.012,629 0.051,630 0.031,631 -0.098,632 0.058,633 0.436,634 0.137,635 0.33,636 0.258,637 0.329,638 0.271,639 -0.041,640 -0.115,641 -0.052,642 -0.08,643 -0.02,644 -0.069,645 -0.189,646 -0.231,647 -0.271,648 -0.2,649 -0.288,650 -0.25,651 2.602,652 3.631,653 0.647,654 13.253,655 1.021,656 1.128,657 1.315,658 1.729,659 0.661,660 2.944,661 3.178,662 3.332,663 3.434,664 3.434,665 3.434,666 3.367,667 3.219,668 3.296,669 3.367,670 5.414,671 0.649,672 232.26,673 2.944,674 4.419,675 5.209,676 6.023,677 6.828,678 7.643,679 8.451,680 9.268,681 10.077,682 10.894,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.861,872 1.563,874 1.944,875 1.334,876 0.918,877 3.778,878 7.767,879 3.239,880 3.755,881 4.229,882 4.668,883 4.886,884 4.945,885 5.007,886 4.822,887 5.183,888 5.614,889 0.833,890 19,891 6.222,893 2.542,894 8.059,895 11.512,897 8.811,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.565,950 0.313,951 0.15,952 0.066,953 10,954 4,955 0.167,956 5,958 1,959 3.107,960 105.193,962 11,963 65.487,968 11.674,969 5.501,970 3.326,972 95.614,973 11.633,974 3.921,978 0.919,979 1.908,980 42.683,981 307.65,982 24.5,987 10.631,991 -0.935,994 29.604,995 32.701,996 0.341,997 0.747,998 0.886,999 0.915,1000 0.915,1001 0.915,1002 4.404,1003 0.618,1004 5.142,1005 1.969,1006 3.85,1007 4.437,1008 1.888,1009 5.814,1010 3.75,1011 5.569,1012 -0.033,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.088,1020 6.828,1021 -0.621,1022 8.193,1023 -0.078,1024 5.313,1025 6.515,1026 2.362,1027 9.429,1028 5.127,1029 8.125,1030 -1,1031 9.824,1032 -1.418,1033 5.525,1034 6.915,1036 10.897,1037 5.317,1038 9.451,1039 -1,1040 11.492,1041 -2,1042 7.027,1043 8.84,1044 2.965,1045 13.312,1046 6.78,1047 10.796,1048 -1.237,1049 13.183,1050 -2.829,1051 7.623,1052 9.633,1054 15.109,1055 7.362,1056 12.156,1057 -1.618,1058 14.891,1059 -3,1060 8.864,1061 11.281,1062 3.635,1063 17.321,1064 8.576,1065 2.785,1066 -1.621,1067 16.609,1068 -4.249,1069 9.65,1070 12.28,1072 19.267,1073 9.354,1074 2.548,1075 8.227,1076 18.335,1077 -4.372,1078 10.768,1079 13.785,1080 4.335,1081 21.399,1082 10.454,1083 2.354,1084 7.02,1085 20.067,1086 3.756,1087 11.653,1088 14.901,1090 23.417,1091 11.336,1092 1.465,1093 6.761,1094 21.804,1095 3.479,1096 12.711,1097 16.327,1098 5.05,1099 25.52,1100 12.383,1101 1.251,1102 3.161,1103 23.545,1104 3.036,1105 13.649,1106 17.514,1108 27.575,1109 13.321,1110 1,1111 2.839,1112 25.29,1113 1.848,1114 14.679,1115 18.894,1116 5.77,1117 29.669,1118 14.345,1119 0.888,1120 2.275,1121 27.037,1122 1.73,1123 15.648,1124 20.125,1126 31.743,1127 15.314,1128 2684,1129 5070,1130 12.019,1131 19.182,1132 26.324,1133 26.511,1134 26.202,1135 25.851,1136 25.821,1137 34.705,1138 4.593,1139 67.249,1140 24.484,1141 5.036,1142 5.576,1143 5.587,1144 4.861,1145 4.785,1146 6.756,1147 2.873,1148 13.753,1149 4.758,1150 7.125,1151 1.462,1152 1.473,1153 1.456,1154 1.436,1155 1.434,1156 1.928,1157 0.255,1158 3.736,1159 1.36,1160 3.958,1161 4.007,1162 3.899,1163 3.85,1164 7.475,1165 3.855,1166 3.886,1167 3.92,1168 3.831,1169 3.697,1170 6.351,1171 3.726,1172 3.399,1173 3.432,1174 3.322,1175 3.168,1176 4.962,1177 3.189,1178 3.211,1179 3.221,1180 3.094,1181 2.965,1182 4.815,1183 2.997,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.279,1189 2.715,1190 2.663,1191 2.712,1192 2.543,1193 2.36,1194 3.674,1195 2.397,1196 2.485,1197 2.575,1198 2.277,1199 2.28,1200 3.667,1201 2.278,1202 2.37,1203 2.476,1204 2.177,1205 2.062,1206 3.341,1207 2.07,1208 0.231,1209 0.199,1210 0.329,1211 0.21,1212 0.155,1213 4.165,1214 0.209,1215 3.576,1216 0.08,1217 5.929,1218 0.457,1219 3.777,1220 0.153,1221 2.785,1222 3.756,1223 1.437,1224 8.227,1225 2.758,1226 1.892,1227 1.876,1228 1.994,1229 2.001,1230 1.112,1231 1.997,1232 1.629,1233 1.562,1234 1.825,1235 1.862,1236 1.04,1237 1.853,1238 1.31,1239 1.248,1240 1.5,1241 1.528,1242 0.528,1243 1.521,1244 1.155,1245 1.141,1246 1.336,1247 1.466,1248 0.317,1249 1.41,1250 1.008,1251 0.957,1252 1.181,1253 1.31,1254 0.218,1255 1.281,1256 0.886,1257 0.821,1258 1.175,1259 1.062,1260 0.146,1261 1.107,1262 0.476,1263 0.444,1264 0.85,1265 0.818,1267 0.823,1268 0.26,1269 0.125,1270 0.734,1271 0.622,1273 0.68,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.78,1281 6.26,1282 9.318,1289 8.726,1290 1.226,1292 5.473,1300 18.821,1301 48.087,1302 105.23,1303 124.881,1304 128.881,1305 128.881,1306 128.881,1307 24.205,1308 5.823,1309 64.35,1310 64.35,1311 11,1312 11.479,1313 3.7,1314 2.907,1315 28.801,1316 55,1317 41,1318 0.257,1319 119.105,1320 202.17,1321 282.375,1322 2157,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.254,1330 0.459,1331 0.287,1332 5.066,1333 7.8,1334 4.993,1335 4.136,1336 8.254,1337 5.174,1338 7.106,1339 0.309,1340 0.151,1341 7.106,1342 3.479,1343 5.534,1344 0.205,1345 0.084,1346 5.534,1347 2.279,1348 4.138,1349 0.138,1350 0.046,1351 4.138,1352 1.382,1353 2.64,1354 0.088,1355 0.025,1356 2.64,1357 0.756,1358 0.412,1359 52.699,1360 0.288,1361 17.778,1362 0.67,1363 82,1364 304.911,1365 93.496,1366 286.123,1367 375.74,1368 266,1369 91,1370 262.051,1371 101.724,1372 262.336,1373 374.64,1374 245,1375 6.563} {0 CHEMBL267475,1 1.437,2 13.694,3 4.597,4 21.135,5 132.23,6 7.554,7 0.316,8 4.278,9 4.363,10 3.82,11 3.767,12 5.476,13 3.767,14 4.806,15 4.948,16 4.186,17 4.129,18 6.026,19 4.117,20 5.082,21 5.241,22 4.366,23 4.272,24 6.355,25 4.265,26 5.145,27 5.294,28 4.37,29 4.313,30 6.441,31 4.298,32 5.175,33 5.335,34 4.317,35 4.364,36 6.439,37 4.315,38 5.28,39 5.474,40 4.249,41 4.35,42 6.428,43 4.279,44 5.284,45 5.499,46 4.15,47 4.259,48 6.479,49 4.173,50 5.209,51 5.447,52 3.938,53 4.104,54 6.333,55 4.012,56 0.184,57 0.823,58 13.318,59 6.784,60 29.822,61 7.786,62 0.485,63 1.306,64 25.382,65 10.854,66 71.951,67 13.241,68 1.08,69 1.605,70 36.148,71 13.262,72 123.794,73 16.327,74 1.341,75 1.684,76 38.783,77 13.842,78 138.394,79 16.691,80 0.936,81 1.8,82 38.694,83 15.009,84 146.135,85 18.608,86 1.175,87 1.909,88 45.726,89 16.034,90 151.167,91 20.612,92 1.429,93 1.846,94 47.947,95 15.582,96 193.503,97 20.629,98 1.464,99 1.641,100 46.966,101 13.826,102 198.312,103 18.424,104 102,105 53,106 0.229,107 0.597,108 0.787,109 0.812,110 0.831,111 0.855,112 3.615,113 0.931,114 -3.31,115 -3.3,116 -3.16,118 40.9,119 3,120 4,124 2,126 1,133 1,136 1,140 4,141 4,142 4,153 2,154 1,163 1,167 1,168 10,172 11,173 1,175 1,177 2,180 12,181 1,185 1,186 9,189 3,191 3,194 10,197 3,198 10,199 1,201 2,203 3,206 10,207 2,209 1,210 7,213 1,215 7,218 8,219 2,221 2,222 10,223 1,227 6,229 4,230 2,233 1,234 8,237 2,238 1,239 6,242 2,243 1,246 1,247 5,250 1,252 3,255 4,259 2,262 2,264 2,265 1,267 8,270 2360,271 23.775,272 23.775,273 23.775,274 23.775,275 23.775,276 21.631,277 24.971,278 13.992,279 24.1,280 18.604,281 18.604,282 18.604,283 18.604,284 18.604,285 15.112,286 24.619,287 6.372,288 19.198,289 4.608,290 2.291,291 1.095,292 0.943,293 0.822,294 0.671,295 4.293,300 1,301 1021,302 4.69,306 353.361,310 185.984,313 1.912,314 66.393,317 1,318 0.5,319 0.83,320 1,321 1,322 0.67,323 0.5,324 0.79,325 81,326 493,327 4.575,328 3.725,329 6.811,330 4.201,331 3.226,332 4.253,333 1.437,334 11.255,335 3.148,336 4.503,337 3.61,338 6.704,339 4.125,340 3.144,341 4.2,342 1.277,343 10.732,344 3.087,345 4.095,346 3.495,347 6.07,348 3.7,349 2.727,350 3.509,351 0.86,352 8.703,353 2.652,354 3.854,355 3.238,356 5.949,357 3.533,358 2.547,359 3.209,360 0.86,361 8.171,362 2.517,363 3.781,364 3.218,365 5.819,366 3.442,367 2.452,368 3.089,369 0.86,370 7.77,371 2.41,372 3.384,373 2.793,374 5.146,375 3.261,376 2.311,377 2.485,379 6.184,380 2.162,381 3.223,382 2.585,383 5.019,384 2.854,385 1.912,386 2.408,388 5.666,389 1.784,390 3.13,391 2.376,392 4.859,393 2.775,394 1.823,395 2.249,397 5.106,398 1.721,399 2.955,400 2.102,401 4.322,402 2.536,403 1.521,404 2.034,406 3.902,407 1.537,408 2.837,409 1.946,410 4.067,411 2.456,412 1.435,413 1.875,415 3.288,416 1.456,417 2.657,418 1.916,419 3.926,420 2.26,421 1.299,422 1.553,424 3.076,425 1.23,426 2.291,427 1.442,428 3.5,429 2.108,430 1.118,431 1.268,433 2.355,434 1.101,435 2.256,436 1.339,437 3.397,438 1.959,439 0.972,440 1.201,442 2.079,443 0.945,444 1.945,445 1.179,446 3.213,447 1.752,448 0.846,449 0.904,451 1.709,452 0.757,453 1.633,454 1.016,455 2.965,456 1.416,457 0.526,458 0.563,460 1.082,461 0.461,462 16.5,463 0.458,464 1.001,465 0.028,466 42,467 1.167,468 20,469 0.556,470 22,471 0.611,472 36.883,473 1.025,474 41.1,475 0.623,476 38.56,477 1.071,478 8.222,479 0.228,480 8.949,481 0.249,482 0.212,484 0.394,487 0.835,488 1.17,489 0.802,490 1.144,491 0.764,492 0.996,493 0.807,494 1.116,495 0.763,496 1.09,497 0.577,498 0.945,499 0.965,500 0.98,501 0.83,502 0.958,503 0.865,504 0.874,505 1.12,506 0.981,507 1.021,508 0.974,509 0.881,510 0.971,511 0.969,512 1.241,513 1.083,514 1.242,515 0.831,516 1.203,517 1.016,518 1.153,519 1.096,520 1.157,521 0.901,522 1.151,523 0.98,524 1.072,525 1.069,526 1.08,527 0.988,528 1.096,529 1.211,530 0.81,531 1.09,532 0.816,533 1.252,534 0.9,535 7.5,536 0.202,537 5.111,538 2.875,539 2.773,540 1.819,541 1.057,542 0.582,543 0.366,544 0.292,545 18774,546 60068,547 1.947,548 45.5,549 14,550 10,553 3,554 3,558 1.773,559 1.77,560 3.716,561 0.801,567 94.812,568 1.437,569 3.753,570 4.949,571 5.101,572 5.222,573 5.374,574 3.066,575 4.538,576 5.146,577 3.931,578 2476.73,579 9.036,580 40915,585 398.93,586 1.561,587 5.066,588 0.197,589 0.006,590 0.096,591 0.047,592 0.046,593 0.032,594 0.021,595 0.014,596 0.01,597 0.008,598 0.479,599 0.33,600 0.75,601 1.227,602 198.407,603 -0.086,604 0.009,605 0.006,606 0.017,607 -0.101,608 0.034,609 0.013,610 -0.029,611 0.124,612 -0.009,613 0.082,614 0.071,615 0.067,616 0.047,617 0.132,618 0.058,619 0.021,620 0.104,621 0.012,622 0.043,623 -0.046,624 0.032,625 0.006,626 -0.013,627 -0.047,628 -0.201,629 -0.153,630 -0.207,631 0.028,632 -0.21,633 -0.057,634 -0.166,635 -0.12,636 -0.169,637 -0.05,638 -0.164,639 0.024,640 -0.123,641 -0.057,642 -0.126,643 -0.011,644 -0.116,645 -0.111,646 0.096,647 -0.029,648 0.096,649 -0.15,650 0.064,651 3.014,652 5.357,653 0.444,654 38.778,655 1.018,656 1.123,657 2.079,658 4.323,659 0.644,660 3.664,661 3.989,662 4.263,663 4.511,664 4.754,665 4.852,666 4.905,667 4.875,668 4.934,669 4.804,670 8.344,671 0.626,672 498.57,673 3.664,674 5.209,675 6.061,676 6.946,677 7.824,678 8.715,679 9.601,680 10.495,681 11.386,682 12.281,699 4,704 8,706 12,710 2,721 1,722 3,724 66,726 16,727 2,728 38,730 68,731 27,733 12,734 8,735 4,736 5,739 3,740 4,745 3,751 5,753 17,754 10,756 4,761 3,763 1,765 4,772 30,773 9,774 3,775 9,784 0.667,785 9,787 1,802 3,806 1,818 1,822 2,830 2,832 2,836 3,840 36,845 3,846 6,848 3,850 1,862 13.6,863 1,864 2,865 3,867 3,869 20.333,870 12.6,871 8.167,872 4.243,874 2.792,875 1.356,876 0.884,877 9.403,878 10.636,879 3.892,880 4.454,881 5.007,882 5.522,883 6.043,884 6.31,885 6.552,886 6.673,887 6.889,888 6.846,889 0.889,890 61,891 13.5,893 5.868,894 8.162,895 24.679,897 19.795,899 2.662,900 95.833,904 317.82,905 138.073,908 236.484,911 138.073,912 554.304,914 26.476,915 19.323,916 90.065,917 177.222,918 61.472,920 317.82,922 317.82,923 138.073,924 236.484,927 317.82,928 193.801,929 42.683,931 45.799,932 77.554,933 14.72,935 317.82,936 236.484,937 138.073,940 317.82,941 64.216,942 73.857,944 236.484,945 317.82,946 236.484,947 138.073,949 0.577,950 0.344,951 0.188,952 0.111,953 22,954 13,955 0.176,956 12,957 1,958 1.125,959 4.415,960 332.048,961 0.125,962 16,963 186.117,968 27.56,969 12.283,970 6.411,972 236.484,973 6.177,978 2.276,980 128.05,981 692.377,982 48,987 35.442,989 0.94,991 -2.528,994 67.2,995 74.113,996 0.238,997 0.621,998 0.819,999 0.844,1000 0.864,1001 0.889,1002 5.147,1003 1.823,1004 6.066,1005 5.666,1006 4.673,1007 5.142,1008 2.552,1009 6.909,1010 4.613,1011 6.36,1012 1.521,1013 7.655,1014 5.106,1015 4.369,1016 5.094,1018 7.91,1019 4.304,1020 7.682,1021 1.435,1022 9.346,1023 3.902,1024 6.297,1025 7.318,1026 2.898,1027 11.015,1028 6.189,1029 9.04,1030 1.299,1031 11.096,1032 3.288,1033 6.792,1034 8.07,1036 12.82,1037 6.678,1038 10.431,1039 1.118,1040 12.882,1041 3.076,1042 8.221,1043 9.823,1044 3.391,1045 15.464,1046 8.074,1047 11.844,1048 0.972,1049 14.693,1050 2.355,1051 9.072,1052 10.929,1054 17.6,1055 8.913,1056 13.276,1057 0.846,1058 16.521,1059 2.079,1060 10.316,1061 12.502,1062 3.976,1063 20.087,1064 10.131,1065 3.226,1066 0.526,1067 18.363,1068 1.709,1069 11.329,1070 13.776,1072 22.369,1073 11.128,1074 3.144,1075 11.255,1076 20.216,1077 1.082,1078 12.506,1079 15.272,1080 4.609,1081 24.799,1082 12.281,1083 2.727,1084 10.732,1085 22.076,1086 4.253,1087 13.594,1088 16.627,1090 27.146,1091 13.35,1092 2.547,1093 8.703,1094 23.944,1095 4.2,1096 14.748,1097 18.092,1098 5.27,1099 29.556,1100 14.483,1101 2.452,1102 8.171,1103 25.817,1104 3.509,1105 15.871,1106 19.488,1108 31.933,1109 15.584,1110 2.311,1111 7.77,1112 27.696,1113 3.209,1114 17.021,1115 20.938,1116 5.947,1117 34.339,1118 16.712,1119 1.912,1120 6.184,1121 29.578,1122 3.089,1123 18.16,1124 22.355,1126 36.73,1127 17.83,1128 18680,1129 33629,1130 23.986,1131 42.511,1132 56.741,1133 59.317,1134 59.852,1135 56.008,1136 56.074,1137 70.003,1138 10.588,1139 162.879,1140 54.27,1141 5.501,1142 5.725,1143 6.569,1144 5.304,1145 5.226,1146 7.253,1147 2.873,1148 18.648,1149 5.148,1150 24.938,1151 1.493,1152 1.561,1153 1.575,1154 1.474,1155 1.476,1156 1.842,1157 0.279,1158 4.286,1159 1.428,1160 4.034,1161 4.041,1162 3.999,1163 3.944,1164 7.476,1165 3.954,1166 3.969,1167 3.979,1168 3.93,1169 3.892,1170 7.429,1171 3.898,1172 3.671,1173 3.688,1174 3.606,1175 3.507,1176 7.426,1177 3.524,1178 3.602,1179 3.647,1180 3.489,1181 3.428,1182 6.467,1183 3.428,1184 3.565,1185 3.629,1186 3.406,1187 3.411,1188 6.449,1189 3.403,1190 3.488,1191 3.525,1192 3.339,1193 3.339,1194 6.351,1195 3.333,1196 3.379,1197 3.427,1198 3.237,1199 3.196,1200 4.877,1201 3.198,1202 3.193,1203 3.181,1204 3.136,1205 2.928,1206 4.741,1207 2.975,1208 0.12,1209 0.098,1210 0.179,1211 0.111,1212 0.085,1213 4.575,1214 0.112,1215 3.725,1216 0.038,1217 6.811,1218 0.296,1219 4.201,1220 0.083,1221 3.226,1222 4.253,1223 1.437,1224 11.255,1225 3.148,1226 1.96,1227 1.953,1228 2.048,1229 2.067,1230 1.285,1231 2.056,1232 1.934,1233 1.922,1234 2.038,1235 2.036,1236 1.275,1237 2.034,1238 1.614,1239 1.583,1240 1.854,1241 1.816,1242 1.088,1243 1.81,1244 1.58,1245 1.522,1246 1.848,1247 1.785,1248 1.004,1249 1.808,1250 1.567,1251 1.515,1252 1.785,1253 1.763,1254 0.987,1255 1.789,1256 1.451,1257 1.418,1258 1.635,1259 1.64,1260 0.69,1261 1.625,1262 1.347,1263 1.295,1264 1.584,1265 1.568,1266 0.639,1267 1.584,1268 1.047,1269 1.032,1270 1.357,1271 1.344,1272 0.491,1273 1.302,1274 4.344,1276 5.666,1278 7.189,1280 8.815,1282 10.5,1284 5.232,1289 30.213,1290 2.084,1292 17.042,1294 -1.045,1300 41.335,1301 94.812,1302 247.703,1303 326.665,1304 336.665,1305 344.665,1306 354.665,1307 135.899,1308 7.844,1309 143.5,1310 143.5,1311 18,1312 12.807,1313 4.087,1314 3.459,1315 73.993,1316 186,1317 152,1318 0.195,1319 254.276,1320 469.49,1321 612.193,1322 29917,1324 26.405,1325 0.733,1326 0.569,1327 26.405,1328 20.498,1329 17.171,1330 0.452,1331 0.31,1332 11.613,1333 16.39,1334 11.303,1335 9.408,1336 17.171,1337 11.798,1338 15.387,1339 0.29,1340 0.16,1341 15.387,1342 8.469,1343 12.487,1344 0.178,1345 0.081,1346 12.487,1347 5.649,1348 10.244,1349 0.114,1350 0.044,1351 10.244,1352 3.933,1353 8.342,1354 0.073,1355 0.024,1356 8.342,1357 2.717,1358 0.313,1359 109.124,1360 0.204,1361 33.128,1362 0.515,1363 182,1364 658.862,1365 206.136,1366 608.572,1367 800.71,1368 564,1369 214,1370 562.424,1371 238.362,1372 557.953,1373 822.87,1374 525,1375 5} {0 CHEMBL26820,1 1.378,2 9,3 3.634,4 13.203,5 83.707,6 7.034,7 0.545,8 3.742,9 3.854,10 3.243,11 3.339,12 4.876,13 3.291,14 4.226,15 4.39,16 3.495,17 3.683,18 5.383,19 3.593,20 4.497,21 4.728,22 3.468,23 3.784,24 5.436,25 3.657,26 4.462,27 4.693,28 3.433,29 3.754,30 5.387,31 3.624,32 4.478,33 4.696,34 3.479,35 3.79,36 5.439,37 3.664,38 4.56,39 4.803,40 3.404,41 3.786,42 5.506,43 3.636,44 4.495,45 4.765,46 3.198,47 3.655,48 5.342,49 3.477,50 4.317,51 4.598,52 3.036,53 3.425,54 5.184,55 3.254,56 0.032,57 0.505,58 8.304,59 3.921,60 8.004,61 5.097,62 0.161,63 0.805,64 14.295,65 6.324,66 34.598,67 8.558,68 0.168,69 0.999,70 20.176,71 8.288,72 35.539,73 11.351,74 0.149,75 0.969,76 19.378,77 8.033,78 31.097,79 11.048,80 0.141,81 0.998,82 19.444,83 8.097,84 31.635,85 11.101,86 0.178,87 1.081,88 21.641,89 8.521,90 38.762,91 11.91,92 0.155,93 0.999,94 20.599,95 8.075,96 31.339,97 11.517,98 0.114,99 0.816,100 17.424,101 6.757,102 22.156,103 9.653,104 11,105 27,106 0.245,107 0.57,108 0.729,109 0.834,110 0.877,111 0.877,112 3.102,113 0.975,114 -4.16,115 -4.1,116 -3.88,118 45,120 4,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 15,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 15,219 1,222 4,227 1,229 12,230 1,234 3,239 1,242 8,243 2,247 3,252 2,255 4,256 3,259 3,260 1,264 3,267 1,268 3,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.496,277 5.568,278 9.19,279 14.434,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.255,286 1.893,287 4.421,288 11.014,289 3.944,290 2.122,291 1.229,292 0.638,293 0.4,294 0.4,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 15.528,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 189,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.222,354 3.278,355 1.986,356 4.22,357 2.792,358 1.802,359 2.579,361 4.049,362 1.781,363 2.781,364 1.646,365 3.654,366 2.548,367 1.555,368 1.908,370 3.193,371 1.541,372 2.748,373 1.317,374 3.555,375 2.3,376 1.317,377 1.768,379 2.88,380 1.293,381 2.5,382 1.305,383 3.319,384 2,385 1,386 1.5,388 2.252,389 1,390 2.5,391 1,392 3.247,393 1.999,394 1,395 1.5,397 2.136,398 0.995,399 2.389,400 1,401 3.247,402 1.955,403 1,404 1.288,406 2.136,407 0.953,408 1.652,409 0.726,410 2.804,411 1.444,412 0.445,413 0.52,415 1.01,416 0.442,417 0.959,418 0.423,419 2.198,420 0.739,421 -0.263,422 -0.286,424 -0.58,425 -0.26,426 0.719,427 0.026,428 2.191,429 0.277,430 -0.705,431 -0.952,433 -1.547,434 -0.688,435 0.578,436 -0.703,437 1.555,438 0.129,439 -0.878,440 -1.062,442 -1.954,443 -0.852,444 0.5,445 -0.705,446 1.555,448 -1,449 -1.386,451 -2,452 -0.973,453 0.5,454 -1,455 1.54,456 -0.017,457 -1,458 -1.5,460 -2.347,461 -0.982,462 10.067,463 0.479,464 0.315,465 0.015,466 27,467 1.286,468 15,469 0.714,470 12,471 0.571,472 14.666,473 0.698,474 22.333,475 0.558,476 17.736,477 0.845,478 5.429,479 0.259,480 4.842,481 0.231,482 0.066,484 0.199,487 0.748,488 1.092,489 0.864,490 1.016,491 0.706,492 0.966,493 0.455,494 1.135,495 0.984,496 1.134,497 0.413,498 1.122,499 0.843,500 0.927,501 0.964,502 0.936,503 0.88,504 0.964,505 0.763,506 0.958,507 0.96,508 0.967,509 0.779,510 0.988,511 0.782,512 1.073,513 1.029,514 1.057,515 0.8,516 1.073,517 0.822,518 1.071,519 1.092,520 1.065,521 0.76,522 1.1,523 0.633,524 1.028,525 1.023,526 1.047,527 0.595,528 1.072,529 0.597,530 0.983,531 0.883,532 1.011,533 0.592,534 0.981,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 12150,547 2.023,548 47.5,549 6,550 8,552 2,553 1,554 2,558 1.634,559 1.938,560 3.146,561 -0.385,563 1,565 1,567 55.108,568 1.378,569 3.2,570 4.093,571 4.684,572 4.922,573 4.922,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,581 1,582 1,583 1,584 1,585 212.877,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.83,600 1,601 1.787,602 95.963,603 -0.05,604 -0.003,605 0.008,606 0.038,607 -0.048,608 0.029,609 0.196,610 -0.081,611 -0.089,612 -0.113,613 0.211,614 -0.131,615 -0.07,616 0.045,617 -0.017,618 0.06,619 -0.083,620 0.032,621 -0.05,622 0.016,623 -0.02,624 0.031,625 -0.066,626 0.011,627 -0.066,628 -0.08,629 -0.097,630 -0.059,631 -0.093,632 -0.081,633 -0.083,634 -0.075,635 -0.142,636 -0.093,637 -0.066,638 -0.12,639 -0.02,640 -0.057,641 -0.071,642 -0.079,643 -0.033,644 -0.079,645 0.066,646 -0.038,647 0.086,648 -0.047,649 0.039,650 0.015,651 2.394,652 3.516,653 0.571,654 17.946,655 0.993,656 1.116,657 2.927,658 8.566,659 0.669,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.63,672 281.38,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 2.5,693 1,699 9,700 1,704 2,706 12,724 40,726 14,727 1,728 22,730 41,731 18,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 19,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 21,845 1,846 4,862 5,864 1,865 1,869 10.833,870 6.9,871 4.889,872 2.475,874 2.08,875 1.342,876 0.93,877 5.866,878 8.16,879 3.434,880 3.912,881 4.388,882 4.9,883 5.393,884 5.389,885 5.772,886 5.989,887 6.124,888 6.196,889 0.833,890 26,891 7.724,893 3.101,894 7.817,895 14.799,897 11.574,899 2.317,900 48.667,904 211.88,905 114.51,906 16.786,908 67.828,911 114.51,912 279.708,913 16.786,915 10.138,916 75.81,917 109.066,918 27.652,920 188.338,922 211.88,923 131.295,924 67.828,927 211.88,928 67.828,931 28.233,932 76.8,933 26.262,935 211.88,936 84.614,937 114.51,940 211.88,941 20.605,942 93.905,944 84.614,945 211.88,946 84.614,947 114.51,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.171,956 7,958 1,959 3.422,960 144.194,962 12,963 88.239,968 15.148,969 8.132,970 4.977,972 84.614,973 17.784,974 4.18,978 2.241,980 42.683,981 411.003,982 30,987 10.516,989 2.175,991 0.425,994 39.709,995 44.654,996 0.259,997 0.601,998 0.769,999 0.88,1000 0.925,1001 0.925,1002 4.585,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.595,1008 2.258,1009 5.964,1010 3.992,1011 5.732,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.977,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.635,1026 3.628,1027 9.798,1028 5.419,1029 8.261,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.582,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.963,1044 5.201,1045 14.116,1046 7.16,1047 10.931,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.303,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.446,1062 6.849,1063 18.633,1064 9.095,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 14.023,1080 8.526,1081 23.227,1082 11.149,1083 2.234,1084 6.4,1085 20.712,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.66,1098 10.216,1099 27.849,1100 13.271,1101 1.555,1102 4.049,1103 24.406,1104 2.711,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 3.193,1112 26.261,1113 2.579,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 4310,1129 7370,1130 14.792,1131 26.767,1132 31.732,1133 31.98,1134 31.811,1135 31.287,1136 31.277,1137 42.029,1138 4.682,1139 78.826,1140 30.976,1141 5.227,1142 5.596,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 8.506,1151 1.442,1152 1.454,1153 1.446,1154 1.422,1155 1.422,1156 1.91,1157 0.213,1158 3.583,1159 1.408,1160 3.996,1161 4.025,1162 3.939,1163 3.942,1164 7.474,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.705,1170 6.351,1171 3.702,1172 3.725,1173 3.774,1174 3.598,1175 3.586,1176 4.924,1177 3.578,1178 3.46,1179 3.494,1180 3.356,1181 3.301,1182 4.74,1183 3.305,1184 3.15,1185 3.184,1186 3.035,1187 2.972,1188 4.25,1189 2.981,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.924,1195 2.715,1196 2.823,1197 2.887,1198 2.641,1199 2.631,1200 3.794,1201 2.622,1202 2.766,1203 2.846,1204 2.615,1205 2.59,1206 3.674,1207 2.59,1208 0.199,1209 0.163,1210 0.295,1211 0.182,1212 0.137,1213 4.369,1214 0.179,1215 3.596,1216 0.106,1217 6.498,1218 0.462,1219 4.005,1220 0.136,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.083,1229 2.05,1230 1.326,1231 2.062,1232 1.784,1233 1.748,1234 1.958,1235 1.895,1236 1.147,1237 1.915,1238 1.717,1239 1.665,1240 1.903,1241 1.886,1242 0.944,1243 1.897,1244 1.42,1245 1.38,1246 1.644,1247 1.623,1248 0.834,1249 1.623,1250 1.102,1251 1.064,1252 1.326,1253 1.32,1254 0.462,1255 1.316,1256 0.886,1257 0.821,1258 1.181,1259 1.063,1260 0.218,1261 1.107,1262 0.791,1263 0.73,1264 1.097,1265 1.062,1266 0.217,1267 1.077,1268 0.755,1269 0.695,1270 1.044,1271 0.985,1272 0.11,1273 1.007,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1289 8.654,1290 2.692,1300 25.192,1301 55.108,1302 128.006,1303 163.716,1304 187.367,1305 196.877,1306 196.877,1307 35.808,1308 6.08,1309 50.19,1310 50.19,1311 12,1312 11.739,1313 3.907,1314 3.17,1315 39.153,1316 65,1317 79,1318 0.274,1319 160.013,1320 280.9,1321 382.193,1322 2704,1324 14.916,1325 0.71,1326 0.567,1327 14.916,1328 11.905,1329 10.271,1330 0.467,1331 0.325,1332 7.103,1333 10.047,1334 6.948,1335 5.819,1336 10.271,1337 7.149,1338 8.492,1339 0.315,1340 0.18,1341 8.492,1342 4.865,1343 6.33,1344 0.198,1345 0.102,1346 6.33,1347 3.251,1348 5.09,1349 0.131,1350 0.057,1351 5.09,1352 2.209,1353 4.034,1354 0.088,1355 0.032,1356 4.034,1357 1.466,1358 0.428,1359 63.28,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 279.53,1365 103.816,1366 275.414,1367 365.63,1368 256,1369 108,1370 254.779,1371 112.157,1372 261.214,1373 370.36,1374 246,1375 7.642} {0 CHEMBL269619,1 1.588,2 7.8,3 1.71,4 2.925,5 75.289,6 7.695,7 0.682,8 3.673,9 3.787,10 3.269,11 3.195,12 4.835,13 3.193,14 4.178,15 4.346,16 3.599,17 3.586,18 5.373,19 3.558,20 4.377,21 4.578,22 3.49,23 3.675,24 5.365,25 3.589,26 4.433,27 4.663,28 3.47,29 3.674,30 5.393,31 3.57,32 4.346,33 4.564,34 3.463,35 3.624,36 5.334,37 3.531,38 4.389,39 4.628,40 3.453,41 3.542,42 5.465,43 3.467,44 4.237,45 4.478,46 3.209,47 3.345,48 5.351,49 3.255,50 4.058,51 4.303,52 2.788,53 2.986,54 5.262,55 2.873,56 0.042,57 0.528,58 6.742,59 2.961,60 8.27,61 3.775,62 0.252,63 0.848,64 12.589,65 4.636,66 34.029,67 6.234,68 0.22,69 0.94,70 16.679,71 6.391,72 34.016,73 8.561,74 0.357,75 0.978,76 18.608,77 6.708,78 33.767,79 9.355,80 0.122,81 0.907,82 16.228,83 6.481,84 18.589,85 9.028,86 0.247,87 0.9,88 18.255,89 6.217,90 30.483,91 8.637,92 0.194,93 0.739,94 15.869,95 5.476,96 30.968,97 7.572,98 0.375,99 0.558,100 14.285,101 4.202,102 49.086,103 5.628,104 8,105 30,106 0.288,107 0.664,108 0.838,109 0.89,110 0.9,111 0.9,112 3.058,113 0.884,114 -2.72,115 -2.74,116 -2.66,118 42.9,120 1,124 2,140 4,141 2,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 6,175 1,177 1,180 5,186 3,187 1,194 4,197 2,198 3,201 1,206 4,210 3,218 2,219 3,221 1,222 6,227 3,229 1,230 2,234 4,235 1,239 2,243 1,246 1,247 3,250 1,252 1,260 1,270 478,271 13.637,272 13.637,273 13.637,274 13.637,275 13.637,276 11.66,277 14.435,278 8.277,279 13.917,280 10.909,281 10.909,282 10.909,283 10.909,284 10.909,285 7.95,286 19.729,287 3.981,288 11.36,289 3.542,290 1.472,291 0.514,292 0.229,293 0.171,294 0.171,295 3.738,298 1,299 1,300 1,301 333,302 2.915,305 88.32,306 49.212,309 75.607,313 1.32,314 15.53,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 43.5,326 156,327 4.641,328 3.6,329 6.753,330 4.17,331 3.199,332 4.603,333 2.341,334 11.09,335 3.108,336 3.932,337 3.285,338 5.641,339 3.478,340 2.556,341 3.49,342 0.522,343 7.562,344 2.358,345 3.588,346 2.708,347 5.292,348 3.256,349 2.267,350 2.868,352 6.53,353 2.221,354 3.425,355 2.228,356 4.857,357 2.985,358 2.017,359 2.71,361 5.37,362 1.938,363 3.31,364 1.97,365 4.606,366 2.845,367 1.866,368 2.625,370 4.945,371 1.818,372 2.722,373 1.333,374 3.736,375 2.248,376 1.271,377 1.82,379 2.844,380 1.241,381 2.604,382 1.273,383 3.592,384 2.131,385 1.175,386 1.645,388 2.767,389 1.119,390 2.369,391 1.088,392 3.374,393 1.925,394 0.955,395 1.314,397 2.289,398 0.923,399 2.118,400 0.866,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.703,409 0.618,410 2.912,411 1.426,412 0.443,413 0.526,415 1.011,416 0.431,417 1.044,418 0.372,419 2.639,420 0.696,421 -0.255,422 -0.321,424 -0.705,425 -0.242,426 0.726,427 -0.039,428 2.278,429 0.307,430 -0.682,431 -0.84,433 -1.777,434 -0.659,435 0.623,436 -0.366,437 2,438 0.14,439 -0.845,440 -1.232,442 -2,443 -0.827,444 0.448,445 -0.819,446 1.933,447 0.001,448 -1,449 -1.296,451 -2.089,452 -0.954,453 0.185,454 -0.893,455 1.601,456 -0.147,457 -1.082,458 -1.458,460 -2.783,461 -1.051,462 9.367,463 0.468,464 0.435,465 0.022,466 27,467 1.35,468 13.5,469 0.675,470 13.5,471 0.675,472 12.877,473 0.644,474 21.233,475 0.607,476 17.717,477 0.886,478 5.562,479 0.278,480 4.175,481 0.209,482 0.071,484 0.299,487 0.831,488 1.45,489 0.755,490 1.091,491 0.69,492 0.94,493 0.718,494 1.015,495 0.909,496 0.898,497 0.406,498 0.906,499 0.955,500 1.096,501 1.109,502 1.09,503 0.942,504 1.124,505 0.722,506 0.861,507 1.035,508 0.94,509 0.73,510 1.027,511 0.567,512 1.192,513 0.906,514 1.194,515 0.469,516 1.125,517 0.947,518 0.964,519 0.915,520 0.984,521 0.88,522 0.944,523 1.009,524 1.038,525 0.968,526 1.089,527 1.008,528 1.031,529 1.611,530 0.858,531 1.296,532 0.959,533 1.989,534 1.071,535 3.5,536 0.04,537 1.778,538 1.486,539 0.542,540 0.587,541 0.432,542 0.15,543 0.131,544 0.055,545 3678,546 11158,547 2.107,548 42.9,550 8,551 2,552 2,553 1,554 2,558 1.622,559 2,560 2.997,561 -0.271,563 1,565 1,567 55.563,568 1.588,569 3.658,570 4.615,571 4.901,572 4.958,573 4.958,574 2.484,575 3.822,576 4.288,577 3.141,578 596.727,579 7.35,580 6093.46,581 1,582 1,584 1,585 179.525,586 1.295,587 4.266,588 0.159,589 0.01,590 0.059,591 0.057,592 0.022,593 0.023,594 0.018,595 0.008,596 0.013,597 0.009,598 0.379,599 0.5,600 1,601 1.197,602 87.874,603 -0.076,604 -0.293,605 0.042,606 -0.077,607 -0.06,608 -0.016,609 0.077,610 0.136,611 -0.046,612 0.06,613 0.187,614 0.007,615 -0.153,616 -0.095,617 -0.198,618 -0.09,619 -0.152,620 -0.145,621 0.049,622 0.129,623 -0.089,624 0.04,625 -0.053,626 -0.039,627 0.036,628 -0.219,629 0.004,630 -0.179,631 0.066,632 -0.108,633 -0.022,634 -0.01,635 0.075,636 -0.021,637 0.012,638 0.038,639 -0.043,640 -0.13,641 0.037,642 -0.113,643 0.007,644 -0.033,645 -0.104,646 0.002,647 -0.199,648 -0.033,649 -0.266,650 -0.126,651 2.445,652 3.746,653 0.7,654 15.8,655 1.007,656 1.126,657 1.491,658 2.222,659 0.671,660 3.135,661 3.434,662 3.689,663 3.989,664 4.143,665 4.248,666 4.407,667 4.466,668 4.357,669 4.248,670 4.959,671 0.647,672 269.33,673 3.135,674 4.654,675 5.493,676 6.368,677 7.236,678 8.124,679 9.006,680 9.899,681 10.789,682 11.686,683 8.6,691 2,693 1,698 2,699 8,700 1,704 1,705 2,706 15,724 35,726 16,727 1,728 22,730 37,731 15,733 11,734 2,735 4,739 3,740 4,751 1,753 12,754 3,756 1,761 1,765 1,768 1,769 1,772 15,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,840 20,845 1,846 3,862 5.7,864 1,865 1,869 10,870 6.133,871 4.417,872 1.994,874 2.83,875 1.426,876 0.976,877 3.566,878 9.47,879 3.45,880 4.069,881 4.666,882 5.306,883 5.719,884 6.078,885 6.546,886 6.932,887 7.02,888 7.221,889 1,890 26,891 7.354,893 3.098,894 7.858,895 13.983,897 11.403,899 2.358,900 47.167,901 0.001,904 164.795,905 89.224,906 20.584,908 67.828,911 89.224,912 232.624,913 20.584,915 6.746,916 56,917 117.684,918 18.604,919 25.686,920 117.711,922 164.795,923 109.808,924 67.828,927 164.795,928 67.828,931 28.21,932 64.812,933 16.786,935 164.795,936 88.412,937 89.224,940 164.795,941 15.558,942 77.464,944 84.614,945 164.795,946 88.412,947 89.224,949 0.57,950 0.316,951 0.179,952 0.097,953 15,954 6,955 0.135,956 5,957 1,958 1.143,959 3.297,960 149.694,961 0.143,962 14,963 86.439,968 12.943,969 5.511,970 2.78,971 2.232,972 84.614,973 15.555,974 4.043,978 1.17,979 4.013,980 42.683,981 342.432,982 30.5,987 10.746,991 -0.779,994 35.262,995 39.405,996 0.31,997 0.713,998 0.9,999 0.955,1000 0.967,1001 0.967,1002 4.652,1003 0.955,1004 5.46,1005 2.767,1006 4.111,1007 4.754,1008 2.313,1009 6.252,1010 4.034,1011 5.86,1012 0.618,1013 6.997,1014 2.289,1015 3.611,1016 4.543,1017 2.243,1018 7.125,1019 3.494,1020 7.163,1021 0.443,1022 8.639,1023 1.372,1024 5.666,1025 7.004,1026 3.632,1027 10.258,1028 5.515,1029 8.509,1030 -0.255,1031 10.347,1032 1.011,1033 6.043,1034 7.725,1035 4.112,1036 12.055,1037 5.853,1038 9.892,1039 -0.682,1040 12.101,1041 -0.705,1042 7.538,1043 9.606,1044 5.202,1045 14.696,1046 7.321,1047 11.302,1048 -0.845,1049 13.888,1050 -1.777,1051 8.333,1052 10.772,1053 5.889,1054 16.868,1055 8.084,1056 12.736,1057 -1,1058 15.699,1059 -2,1060 9.61,1061 12.429,1062 6.849,1063 19.353,1064 9.337,1065 3.199,1066 -1.082,1067 17.53,1068 -2.089,1069 10.604,1070 13.8,1071 7.625,1072 21.67,1073 10.304,1074 2.556,1075 11.09,1076 19.376,1077 -2.783,1078 11.799,1079 15.371,1080 8.526,1081 24.102,1082 11.474,1083 2.267,1084 7.562,1085 21.235,1086 4.603,1087 12.884,1088 16.832,1089 9.342,1090 26.475,1091 12.534,1092 2.017,1093 6.53,1094 23.103,1095 3.49,1096 14.051,1097 18.372,1098 10.216,1099 28.89,1100 13.677,1101 1.866,1102 5.37,1103 24.979,1104 2.868,1105 15.178,1106 19.87,1107 11.051,1108 31.283,1109 14.778,1110 1.271,1111 4.945,1112 26.862,1113 2.71,1114 16.337,1115 21.4,1116 11.912,1117 33.692,1118 15.912,1119 1.175,1120 2.844,1121 28.749,1122 2.625,1123 17.482,1124 22.913,1125 12.755,1126 36.092,1127 17.031,1128 3624,1129 6380,1130 14.909,1131 23.495,1132 33.1,1133 33.26,1134 32.983,1135 32.758,1136 32.738,1137 45.055,1138 5.725,1139 91.561,1140 31.469,1141 5.46,1142 5.6,1143 6.432,1144 5.228,1145 5.199,1146 7.603,1147 3.925,1148 18.147,1149 5.108,1150 7.932,1151 1.505,1152 1.512,1153 1.499,1154 1.489,1155 1.488,1156 2.048,1157 0.26,1158 4.162,1159 1.43,1160 4.157,1161 4.194,1162 4.117,1163 4.064,1164 7.474,1165 4.072,1166 3.876,1167 3.943,1168 3.819,1169 3.669,1170 6.351,1171 3.699,1172 3.622,1173 3.658,1174 3.525,1175 3.446,1176 4.983,1177 3.454,1178 3.388,1179 3.428,1180 3.299,1181 3.252,1182 4.879,1183 3.255,1184 3.099,1185 3.15,1186 2.989,1187 2.881,1188 4.277,1189 2.9,1190 2.799,1191 2.867,1192 2.627,1193 2.62,1194 3.872,1195 2.612,1196 2.759,1197 2.832,1198 2.578,1199 2.498,1200 3.587,1201 2.515,1202 2.47,1203 2.57,1204 2.262,1205 2.287,1206 3.539,1207 2.27,1208 0.211,1209 0.164,1210 0.307,1211 0.19,1212 0.145,1213 4.641,1214 0.209,1215 3.6,1216 0.106,1217 6.753,1218 0.504,1219 4.17,1220 0.141,1221 3.199,1222 4.603,1223 2.341,1224 11.09,1225 3.108,1226 1.947,1227 1.922,1228 2.042,1229 2.038,1230 1.22,1231 2.04,1232 1.722,1233 1.667,1234 1.883,1235 1.92,1236 1.137,1237 1.912,1238 1.538,1239 1.485,1240 1.734,1241 1.759,1242 0.914,1243 1.752,1244 1.324,1245 1.272,1246 1.502,1247 1.533,1248 0.552,1249 1.524,1250 1.24,1251 1.178,1252 1.399,1253 1.51,1254 0.403,1255 1.474,1256 1.018,1257 0.976,1258 1.206,1259 1.231,1260 0.286,1261 1.228,1262 0.78,1263 0.717,1264 1.086,1265 1.012,1266 0.146,1267 1.032,1268 0.637,1269 0.584,1270 0.936,1271 0.933,1272 0.065,1273 0.953,1274 3.807,1276 5.106,1277 3.045,1278 6.583,1279 5.352,1280 8.152,1281 7.413,1282 9.777,1289 8.835,1290 1.351,1300 22.655,1301 55.563,1302 128.015,1303 161.525,1304 171.525,1305 173.525,1306 173.525,1307 26.484,1308 6.64,1309 60.05,1310 60.05,1311 16,1312 12.212,1313 4.087,1314 3.248,1315 29.793,1316 59,1317 56,1318 0.257,1319 140.359,1320 230.38,1321 334.236,1322 5714,1324 13.949,1325 0.697,1326 0.547,1327 13.949,1328 10.937,1329 9.737,1330 0.443,1331 0.295,1332 6.38,1333 9.319,1334 6.264,1335 5.173,1336 9.737,1337 6.481,1338 8.725,1339 0.291,1340 0.158,1341 8.725,1342 4.744,1343 6.917,1344 0.177,1345 0.086,1346 6.917,1347 3.35,1348 5.922,1349 0.112,1350 0.046,1351 5.922,1352 2.427,1353 4.508,1354 0.073,1355 0.026,1356 4.508,1357 1.608,1358 0.39,1359 61.265,1360 0.259,1361 19.778,1362 0.746,1363 104,1364 314.821,1365 114.367,1366 304.784,1367 410.93,1368 284,1369 121,1370 297.765,1371 131.013,1372 301.979,1373 435.68,1374 283,1375 7.721} {0 CHEMBL274942,1 1.548,2 9.591,3 0.621,4 0.386,5 81.426,6 6.964,7 0.261,8 3.863,9 3.975,10 3.351,11 3.31,12 4.956,13 3.297,14 4.434,15 4.603,16 3.71,17 3.66,18 5.585,19 3.632,20 4.715,21 4.914,22 3.676,23 3.815,24 5.702,25 3.745,26 4.758,27 4.997,28 3.606,29 3.842,30 5.668,31 3.728,32 4.727,33 4.987,34 3.621,35 3.82,36 5.632,37 3.706,38 4.685,39 4.934,40 3.511,41 3.776,42 5.612,43 3.653,44 4.672,45 4.952,46 3.27,47 3.654,48 5.534,49 3.495,50 4.414,51 4.683,52 3.1,53 3.383,54 5.31,55 3.246,56 0.053,57 0.594,58 9.925,59 4.186,60 12.272,61 5.551,62 0.388,63 0.905,64 19.181,65 6.489,66 52.323,67 9.071,68 0.62,69 1.081,70 26.729,71 8.23,72 64.432,73 11.331,74 0.49,75 1.128,76 27.668,77 9.004,78 57.629,79 13.04,80 0.394,81 1.134,82 26.642,83 8.506,84 50.192,85 12.904,86 0.424,87 1.099,88 25.488,89 7.876,90 49.483,91 11.984,92 0.451,93 0.98,94 25.932,95 7.765,96 57.576,97 11.833,98 0.326,99 0.736,100 19.955,101 6.033,102 41.525,103 9.032,104 23,105 31,106 0.274,107 0.592,108 0.783,109 0.848,110 0.865,111 0.865,112 3.146,113 0.968,114 -1.95,115 -2.01,116 -2.01,118 36.4,119 2,120 3,121 1,124 1,126 1,130 1,133 2,143 3,144 1,154 1,163 1,167 1,168 5,169 1,171 1,172 7,175 1,177 1,180 5,181 1,185 2,186 4,191 1,194 3,195 1,197 1,198 5,203 1,206 4,207 1,209 1,210 7,215 1,218 3,219 1,221 1,222 7,227 1,229 2,230 1,234 5,239 1,242 2,247 2,248 2,255 2,258 2,259 1,260 1,262 2,267 2,270 732,271 14.397,272 14.397,273 14.397,274 14.397,275 14.397,276 13.204,277 15.179,278 8.815,279 14.605,280 11.387,281 11.387,282 11.387,283 11.387,284 11.387,285 9.706,286 17.411,287 4.246,288 11.746,289 3.912,290 2.116,291 1.04,292 0.671,293 0.58,294 0.58,295 3.806,299 1,300 1,301 431,302 3.536,306 146.232,313 1.446,314 26.583,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 49,326 211,327 4.326,328 3.811,329 6.828,330 4.267,331 3.291,332 3.6,333 2.341,334 11.346,335 3.212,336 3.993,337 3.597,338 6.357,339 3.811,340 2.832,341 3.183,342 1.465,343 9.694,344 2.768,345 3.563,346 3.154,347 5.238,348 3.248,349 2.252,350 2.726,351 0.811,352 6.369,353 2.227,354 3.46,355 2.384,356 4.659,357 3.184,358 2.208,359 2.591,361 5.183,362 2.142,363 3.093,364 2.006,365 4.237,366 2.621,367 1.648,368 2.189,370 3.762,371 1.6,372 2.83,373 1.865,374 3.686,375 2.441,376 1.48,377 1.886,379 3.158,380 1.413,381 2.5,382 1.445,383 3.558,384 1.93,385 1,386 1.5,388 2.523,389 0.925,390 2.173,391 1.243,392 3.247,393 1.891,394 1,395 1.139,397 2.136,398 0.886,399 1.946,400 1,401 3.192,402 1.816,403 0.835,404 0.879,406 1.788,407 0.812,408 1.427,409 0.787,410 2.867,411 1.172,412 0.227,413 0.254,415 0.531,416 0.211,417 0.785,418 0.482,419 2.768,420 0.655,421 -0.326,422 -0.34,424 -0.751,425 -0.315,426 0.727,427 0.123,428 2.267,429 0.424,430 -0.53,431 -0.6,433 -1.377,434 -0.502,435 0.5,436 -0.089,437 2.159,438 0.05,439 -1,440 -1,442 -2,443 -0.924,444 0.477,445 -0.619,446 2,448 -1,449 -1.06,451 -2.347,452 -0.938,453 0.187,454 -0.744,455 1.69,456 -0.024,457 -1,458 -1.207,460 -2.445,461 -0.977,462 10.133,463 0.461,464 0.608,465 0.028,466 22.5,467 1.023,468 8.5,469 0.386,470 14,471 0.636,472 20.825,473 0.947,474 25.867,475 0.588,476 15.472,477 0.703,478 4.394,479 0.2,480 6.083,481 0.277,482 0.164,483 0.049,484 0.197,487 0.836,488 1.505,489 0.852,490 1.352,491 0.774,492 1.142,493 0.874,494 1.27,495 0.889,496 1.186,497 0.498,498 1.057,499 1.462,500 0.929,501 1.231,502 0.975,503 1.072,504 1.051,505 0.952,506 1.018,507 1.01,508 1.027,509 0.734,510 1.038,511 0.672,512 1.043,513 0.846,514 0.987,515 0.506,516 0.955,517 0.813,518 1.066,519 1.075,520 1.073,521 0.652,522 1.108,523 0.888,524 0.893,525 1.019,526 0.942,527 0.824,528 0.993,529 0.942,530 0.981,531 0.965,532 1.01,533 0.94,534 0.996,535 5,536 0.144,537 2.222,538 1.313,539 1.156,540 0.646,541 0.364,542 0.236,543 0.164,544 0.141,545 4667,546 14432,547 1.959,548 50,549 4,550 5,552 3,553 1,554 2,556 7,558 1.646,559 1.821,560 3.198,561 -0.265,563 1,565 1,567 68.107,568 1.548,569 3.343,570 4.419,571 4.789,572 4.88,573 4.88,574 2.681,575 3.698,576 4.423,577 3.406,578 786.676,579 7.607,580 8893.08,582 1,585 240.215,586 1.546,587 4.371,588 0.217,589 0.013,590 0.072,591 0.045,592 0.043,593 0.023,594 0.015,595 0.013,596 0.011,597 0.01,598 0.463,599 0.33,600 1,601 1.866,602 102.1,603 -0.052,604 -0.21,605 0.038,606 -0.111,607 -0.078,608 -0.032,609 0.143,610 -0.147,611 0.071,612 -0.104,613 0.218,614 -0.038,615 -0.228,616 0.085,617 -0.223,618 0.023,619 -0.189,620 -0.088,621 -0.068,622 -0.045,623 -0.055,624 -0.018,625 -0.03,626 -0.036,627 0.026,628 -0.045,629 0.087,630 0.006,631 0.064,632 0.052,633 -0.064,634 -0.022,635 -0.137,636 -0.091,637 -0.054,638 -0.12,639 -0.09,640 0.032,641 -0.062,642 -0.001,643 -0.098,644 -0.018,645 -0.063,646 -0.08,647 0.004,648 -0.059,649 -0.098,650 -0.018,651 2.451,652 3.484,653 0.545,654 20.116,655 1.008,656 1.136,657 0.724,658 0.525,659 0.624,660 3.178,661 3.466,662 3.584,663 3.807,664 4.06,665 4.007,666 4.007,667 4.007,668 3.951,669 3.784,670 5.832,671 0.595,672 306.4,673 3.178,674 4.691,675 5.485,676 6.347,677 7.174,678 8.046,679 8.891,680 9.768,681 10.623,682 11.503,683 4.5,693 2,699 3,700 2,704 1,706 6,724 44,726 8,728 23,730 45,731 16,733 4,739 2,740 2,745 2,748 2,749 1,751 5,753 7,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,793 1,802 2,818 1,822 2,830 1,831 2,832 2,836 2,840 22,845 1,846 4,848 2,850 2,852 1,862 9.1,864 1,865 1,866 2,869 12.083,870 8.183,871 4.889,872 2.606,874 1.391,875 1.218,876 0.873,877 5.782,878 7.779,879 3.367,880 3.795,881 4.073,882 4.479,883 4.932,884 4.861,885 5.115,886 5.294,887 5.396,888 5.348,889 1,890 29,891 8.143,893 3.356,894 7.92,895 15.401,897 12.238,899 2.42,900 53.25,904 247.193,905 79.608,906 33.571,908 89.828,911 79.608,912 337.021,913 33.571,914 17.65,915 12.196,916 18.952,917 159.622,918 29.899,920 211.88,922 247.193,923 113.179,924 89.828,927 164.795,928 150.226,929 22,931 59.745,932 0.91,933 52.524,935 247.193,936 123.399,937 79.608,940 247.193,941 15.863,942 63.745,944 123.399,945 247.193,946 123.399,947 79.608,949 0.571,950 0.292,951 0.152,952 0.094,953 13,954 6,955 0.133,956 6,958 1,959 3.411,960 158.293,962 12,963 96.107,968 16.755,969 7.591,970 5.275,972 123.399,973 5.003,974 8.446,978 0.794,980 42.683,981 450.2,982 28,987 10.484,989 3.879,991 -0.784,994 44.349,995 49.986,996 0.284,997 0.612,998 0.809,999 0.877,1000 0.894,1001 0.894,1002 4.6,1003 1,1004 5.493,1005 2.523,1006 4.143,1007 4.477,1008 2.719,1009 6.29,1010 4.08,1011 5.766,1012 0.835,1013 7.047,1014 2.136,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.849,1020 7.046,1021 0.227,1022 8.72,1023 1.788,1024 5.778,1025 6.386,1026 3.865,1027 10.443,1028 5.667,1029 8.353,1030 -0.326,1031 10.469,1032 0.531,1033 6.33,1034 6.74,1035 4.112,1036 12.438,1037 6.231,1038 9.691,1039 -0.53,1040 12.265,1041 -0.751,1042 7.754,1043 8.562,1044 5.308,1045 15.004,1046 7.6,1047 11.049,1048 -1,1049 14.093,1050 -1.377,1051 8.655,1052 9.245,1053 5.889,1054 17.26,1055 8.499,1056 12.423,1057 -1,1058 15.941,1059 -2,1060 9.912,1061 10.876,1062 6.893,1063 19.716,1064 9.715,1065 3.291,1066 -1,1067 17.804,1068 -2.347,1069 10.968,1070 11.748,1071 7.625,1072 22.066,1073 10.758,1074 2.832,1075 11.346,1076 19.678,1077 -2.445,1078 12.167,1079 13.269,1080 8.543,1081 24.489,1082 11.923,1083 2.252,1084 9.694,1085 21.559,1086 3.6,1087 13.291,1088 14.262,1089 9.342,1090 26.876,1091 13.028,1092 2.208,1093 6.369,1094 23.445,1095 3.183,1096 14.471,1097 15.712,1098 10.223,1099 29.291,1100 14.18,1101 1.648,1102 5.183,1103 25.336,1104 2.726,1105 15.626,1106 16.787,1107 11.051,1108 31.695,1109 15.312,1110 1.48,1111 3.762,1112 27.23,1113 2.591,1114 16.803,1115 18.188,1116 11.915,1117 34.11,1118 16.463,1119 1,1120 3.158,1121 29.127,1122 2.189,1123 17.972,1124 19.321,1125 12.755,1126 36.522,1127 17.609,1128 4806,1129 8520,1130 14.792,1131 27.443,1132 34.275,1133 34.537,1134 33.969,1135 33.457,1136 33.547,1137 39.892,1138 9.234,1139 92.976,1140 32.391,1141 5.326,1142 5.811,1143 6.63,1144 5.34,1145 5.291,1146 6.6,1147 3.925,1148 18.163,1149 5.166,1150 11.956,1151 1.49,1152 1.502,1153 1.477,1154 1.455,1155 1.459,1156 1.734,1157 0.401,1158 4.042,1159 1.408,1160 3.95,1161 3.985,1162 3.881,1163 3.799,1164 7.474,1165 3.811,1166 3.746,1167 3.796,1168 3.654,1169 3.607,1170 6.351,1171 3.611,1172 3.675,1173 3.714,1174 3.575,1175 3.48,1176 5.015,1177 3.495,1178 3.493,1179 3.541,1180 3.368,1181 3.324,1182 4.785,1183 3.321,1184 3.258,1185 3.301,1186 3.118,1187 3.07,1188 4.375,1189 3.077,1190 2.963,1191 3.013,1192 2.826,1193 2.794,1194 4.092,1195 2.79,1196 2.876,1197 3.009,1198 2.656,1199 2.618,1200 3.991,1201 2.589,1202 2.874,1203 2.94,1204 2.558,1205 2.576,1206 3.878,1207 2.57,1208 0.188,1209 0.166,1210 0.297,1211 0.186,1212 0.143,1213 4.326,1214 0.157,1215 3.811,1216 0.102,1217 6.828,1218 0.493,1219 4.267,1220 0.14,1221 3.291,1222 3.6,1223 2.341,1224 11.346,1225 3.212,1226 1.871,1227 1.837,1228 2.029,1229 2.047,1230 1.348,1231 2.037,1232 1.719,1233 1.672,1234 1.899,1235 1.887,1236 1.132,1237 1.892,1238 1.615,1239 1.569,1240 1.812,1241 1.837,1242 0.962,1243 1.831,1244 1.472,1245 1.417,1246 1.73,1247 1.674,1248 0.79,1249 1.694,1250 1.214,1251 1.17,1252 1.466,1253 1.45,1254 0.617,1255 1.451,1256 0.94,1257 0.888,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.934,1263 0.804,1264 1.215,1265 1.164,1266 0.388,1267 1.179,1268 0.803,1269 0.739,1270 1.149,1271 1.153,1272 0.278,1273 1.152,1274 3.85,1276 5.142,1278 6.619,1280 8.19,1282 9.818,1284 3.768,1289 8.621,1290 1.994,1292 11.741,1294 -0.049,1296 -0.647,1300 26.17,1301 68.107,1302 147.096,1303 194.441,1304 210.705,1305 214.705,1306 214.705,1307 49.151,1308 6.389,1309 81.54,1310 81.54,1311 12,1312 12.045,1313 3.17,1314 2.585,1315 42.223,1316 73,1317 86,1318 0.277,1319 164.398,1320 293.7,1321 392.89,1322 4311,1324 16.002,1325 0.727,1326 0.588,1327 16.002,1328 12.936,1329 10.478,1330 0.456,1331 0.323,1332 7.296,1333 9.938,1334 7.075,1335 5.862,1336 10.478,1337 7.422,1338 9.761,1339 0.315,1340 0.186,1341 9.761,1342 5.779,1343 6.697,1344 0.191,1345 0.1,1346 6.697,1347 3.489,1348 5.305,1349 0.121,1350 0.054,1351 5.305,1352 2.378,1353 4.554,1354 0.08,1355 0.031,1356 4.554,1357 1.764,1358 0.433,1359 66.592,1360 0.26,1361 21.912,1362 0.763,1363 108,1364 362.647,1365 124.837,1366 334.47,1367 438.55,1368 312,1369 120,1370 305.062,1371 134.405,1372 301.376,1373 434.18,1374 282,1375 5} {0 CHEMBL275548,1 1.519,2 9.091,3 4.382,4 19.202,5 91.33,6 9.007,7 0.522,8 3.747,9 3.851,10 3.472,11 3.386,12 4.886,13 3.329,14 4.233,15 4.387,16 3.83,17 3.748,18 5.406,19 3.648,20 4.507,21 4.722,22 3.836,23 3.866,24 5.471,25 3.722,26 4.47,27 4.689,28 3.799,29 3.827,30 5.417,31 3.684,32 4.485,33 4.691,34 3.831,35 3.86,36 5.465,37 3.722,38 4.57,39 4.797,40 3.919,41 3.885,42 5.538,43 3.721,44 4.513,45 4.754,46 3.861,47 3.791,48 5.417,49 3.591,50 4.331,51 4.589,52 3.573,53 3.555,54 5.238,55 3.359,56 0.022,57 0.487,58 6.319,59 3.795,60 8.198,61 4.786,62 0.144,63 0.787,64 12.989,65 6.433,66 35.012,67 8.316,68 0.185,69 0.988,70 29.045,71 9.247,72 38.344,73 11.577,74 0.157,75 0.96,76 24.664,77 8.747,78 33.412,79 11.187,80 0.144,81 0.987,82 23.661,83 8.738,84 33.327,85 11.148,86 0.185,87 1.075,88 28.054,89 9.557,90 39.37,91 12.151,92 0.202,93 0.988,94 39.975,95 9.782,96 33.96,97 12.182,98 0.133,99 0.815,100 31.969,101 8.232,102 24.459,103 10.31,104 16,105 29,106 0.271,107 0.609,108 0.781,109 0.886,110 0.912,111 0.912,112 3.146,113 1.049,114 -4.77,115 -4.68,116 -4.4,117 1,118 45,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 15,219 1,222 3,227 1,229 12,230 1,234 4,239 1,242 9,243 2,247 3,252 2,255 4,256 3,259 3,260 1,264 3,267 2,268 2,270 808,271 14.811,272 14.811,273 14.811,274 14.811,275 14.811,276 12.918,277 7.211,278 9.313,279 15.046,280 11.398,281 11.398,282 11.398,283 11.398,284 11.398,285 8.666,286 2.568,287 4.478,288 11.82,289 3.803,290 1.901,291 0.938,292 0.35,293 0.2,294 0.2,295 3.81,299 1,300 1,301 410,302 3.536,306 162.572,313 1.281,314 17.072,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.25,326 200,327 4.387,328 3.596,329 6.506,330 4.017,331 3.023,332 3.981,333 2.341,334 10.213,335 3.005,336 3.876,337 3.084,338 5.373,339 3.387,340 2.45,341 3.453,343 6.875,344 2.292,345 3.55,346 2.796,347 4.846,348 3.24,349 2.235,350 2.81,352 5.402,353 2.222,354 3.45,355 2.155,356 4.659,357 2.944,358 2.012,359 2.71,361 5.183,362 1.83,363 2.987,364 1.927,365 4.098,366 2.638,367 1.658,368 2.155,370 3.745,371 1.586,372 2.757,373 1.537,374 3.635,375 2.413,376 1.455,377 1.806,379 3.113,380 1.354,381 2.65,382 1.307,383 3.485,384 2.168,385 1.189,386 1.705,388 2.615,389 1.129,390 2.5,391 1.208,392 3.372,393 1.999,394 1,395 1.5,397 2.282,398 0.995,399 2.391,400 1,401 3.247,402 1.955,403 1,404 1.292,406 2.136,407 0.953,408 1.652,409 0.73,410 2.837,411 1.446,412 0.447,413 0.521,415 1.027,416 0.444,417 0.988,418 0.427,419 2.311,420 0.74,421 -0.26,422 -0.285,424 -0.581,425 -0.208,426 0.893,427 0.18,428 2.192,429 0.393,430 -0.412,431 -0.515,433 -0.92,434 -0.264,435 0.687,436 0.026,437 2,438 0.224,439 -0.73,440 -0.979,442 -1.714,443 -0.697,444 0.574,445 -0.703,446 1.607,447 0.12,448 -0.885,449 -1.067,451 -2,452 -0.857,453 0.5,454 -0.718,455 1.555,456 -0.017,457 -1,458 -1.389,460 -2.192,461 -0.973,462 11.4,463 0.518,464 0.421,465 0.019,466 27.5,467 1.25,468 15,469 0.682,470 12.5,471 0.568,472 18.222,473 0.828,474 22.8,475 0.57,476 17.086,477 0.777,478 5.23,479 0.238,480 5.434,481 0.247,482 0.175,484 0.219,487 0.722,488 1.06,489 0.51,490 0.812,491 0.703,492 0.875,493 0.461,494 1.094,495 0.603,496 0.909,497 0.4,498 1.015,499 0.873,500 0.921,501 0.911,502 0.917,503 0.894,504 0.962,505 0.768,506 0.94,507 0.721,508 0.861,509 0.783,510 0.942,511 0.786,512 1.056,513 0.729,514 0.93,515 0.804,516 1.024,517 0.832,518 1.038,519 0.84,520 0.934,521 0.76,522 1.031,523 0.717,524 1.072,525 1.461,526 1.222,527 0.617,528 1.149,529 0.707,530 0.99,531 1.267,532 1.108,533 0.622,534 1.037,535 3.5,536 0.108,537 1.778,538 1.188,539 0.653,540 0.417,541 0.322,542 0.189,543 0.209,544 0.131,545 4687,546 15575,547 1.995,548 45,549 6,550 7,552 2,553 1,554 2,558 1.648,559 1.886,560 3.154,561 -0.354,563 1,567 60.76,568 1.519,569 3.421,570 4.384,571 4.972,572 5.122,573 5.122,574 2.478,575 4.005,576 4.425,577 3.356,578 775.133,579 7.623,580 8865.75,582 1,584 1,585 212.877,586 1.293,587 4.398,588 0.152,589 0.01,590 0.061,591 0.042,592 0.024,593 0.015,594 0.012,595 0.009,596 0.012,597 0.009,598 0.347,599 0.5,600 1,601 1.811,602 102.007,603 -0.054,605 -0.003,606 0.032,607 -0.053,608 0.027,609 0.182,610 -0.057,611 0.012,612 -0.035,613 0.223,614 -0.084,615 -0.087,616 0.048,617 -0.034,618 0.042,619 -0.093,620 0.023,621 -0.051,622 0.033,623 0.008,624 0.06,625 -0.066,626 0.037,627 -0.068,628 -0.067,629 -0.015,630 -0.02,631 -0.095,632 -0.058,633 -0.08,634 -0.039,635 0.002,636 0.003,637 -0.063,638 -0.057,639 -0.018,640 -0.102,641 -0.084,642 -0.137,643 -0.039,644 -0.121,645 0.022,646 -0.039,647 -0.046,648 -0.058,649 0.022,650 -0.006,651 2.4,652 3.548,653 0.545,654 18.975,655 0.998,656 1.112,657 3.541,658 12.542,659 0.703,660 3.178,661 3.401,662 3.555,663 3.761,664 3.932,665 3.871,666 3.912,667 3.932,668 3.85,669 3.664,670 5.742,671 0.655,672 360.27,673 3.178,674 4.654,675 5.442,676 6.271,677 7.086,678 7.926,679 8.755,680 9.602,681 10.438,682 11.289,683 2.5,693 1,699 8,700 1,704 3,706 12,723 1,724 40,726 14,727 1,728 23,729 1,730 41,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,772 18,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,835 1,840 22,845 1,846 4,861 1,862 5,864 1,865 1,869 11.667,870 6.96,871 5.056,872 2.455,874 2.096,875 1.338,876 0.937,877 6.506,878 8.288,879 3.466,880 3.97,881 4.443,882 4.965,883 5.467,884 5.523,885 5.861,886 6.096,887 6.248,888 6.352,889 0.833,890 28,891 8.088,893 3.255,894 7.822,895 15.47,897 12.136,899 2.322,900 51.083,903 1,904 200.109,905 108.088,906 62.74,908 67.828,911 154.042,912 267.937,913 16.786,915 10.138,916 66.334,917 109.066,918 30.707,920 176.567,921 45.954,922 200.109,923 124.874,924 67.828,926 45.954,927 200.109,928 67.828,931 28.233,932 70.379,933 26.262,934 45.954,935 200.109,936 84.614,937 154.042,940 200.109,941 23.66,942 84.429,943 45.954,944 84.614,945 200.109,946 84.614,947 154.042,949 0.554,950 0.295,951 0.16,952 0.089,953 11,954 5,955 0.171,956 7,958 1,959 3.464,960 155.678,962 12,963 98.107,968 16.602,969 8.622,970 5.515,972 84.614,973 15.726,974 4.191,978 3.227,980 42.683,981 438.765,982 31,987 10.548,989 2.167,991 0.396,994 39.938,995 44.496,996 0.285,997 0.643,998 0.824,999 0.934,1000 0.962,1001 0.962,1002 4.635,1003 1,1004 5.371,1005 2.615,1006 4.078,1007 4.654,1008 2.258,1009 6.071,1010 4.013,1011 5.801,1012 1,1013 6.853,1014 2.282,1015 3.434,1016 4.182,1017 2.243,1018 6.804,1019 3.279,1020 7.062,1021 0.447,1022 8.444,1023 2.136,1024 5.541,1025 6.726,1026 3.628,1027 9.904,1028 5.443,1029 8.36,1030 -0.26,1031 10.105,1032 1.027,1033 5.74,1034 7.068,1035 4.112,1036 11.589,1037 5.594,1038 9.69,1039 -0.412,1040 11.816,1041 -0.581,1042 7.296,1043 9.076,1044 5.201,1045 14.192,1046 7.183,1047 11.046,1048 -0.73,1049 13.565,1050 -0.92,1051 7.933,1052 9.845,1053 5.889,1054 16.262,1055 7.801,1056 12.422,1057 -0.885,1058 15.341,1059 -1.714,1060 9.233,1061 11.579,1062 6.849,1063 18.691,1064 9.116,1065 3.023,1066 -1,1067 17.139,1068 -2,1069 10.102,1070 12.593,1071 7.625,1072 20.914,1073 9.981,1074 2.45,1075 10.213,1076 18.953,1077 -2.192,1078 11.285,1079 14.173,1080 8.526,1081 23.279,1082 11.169,1083 2.235,1084 6.875,1085 20.78,1086 3.981,1087 12.272,1088 15.333,1089 9.342,1090 25.562,1091 12.157,1092 2.012,1093 5.402,1094 22.616,1095 3.453,1096 13.405,1097 16.825,1098 10.216,1099 27.902,1100 13.291,1101 1.658,1102 5.183,1103 24.46,1104 2.81,1105 14.452,1106 18.073,1107 11.051,1108 30.209,1109 14.339,1110 1.455,1111 3.745,1112 26.31,1113 2.71,1114 15.564,1115 19.514,1116 11.912,1117 32.539,1118 15.451,1119 1.189,1120 3.113,1121 28.165,1122 2.155,1123 16.64,1124 20.814,1125 12.755,1126 34.856,1127 16.526,1128 4797,1129 8820,1130 15.197,1131 28.12,1132 33.446,1133 33.697,1134 33.681,1135 33.198,1136 32.935,1137 43.864,1138 4.682,1139 85.18,1140 31.62,1141 5.245,1142 5.596,1143 6.308,1144 5.053,1145 5.023,1146 6.981,1147 3.925,1148 17.001,1149 5.005,1150 10.554,1151 1.454,1152 1.465,1153 1.464,1154 1.443,1155 1.432,1156 1.907,1157 0.204,1158 3.703,1159 1.375,1160 3.998,1161 4.024,1162 6.88,1163 3.957,1164 7.474,1165 3.946,1166 3.791,1167 3.826,1168 3.915,1169 3.725,1170 6.351,1171 3.714,1172 3.725,1173 3.774,1174 3.668,1175 3.587,1176 4.923,1177 3.578,1178 3.46,1179 3.494,1180 3.594,1181 3.309,1182 4.734,1183 3.309,1184 3.151,1185 3.184,1186 3.343,1187 2.99,1188 4.253,1189 2.988,1190 2.87,1191 2.915,1192 3.023,1193 2.853,1194 3.929,1195 2.785,1196 2.824,1197 2.886,1198 2.641,1199 2.634,1200 3.796,1201 2.622,1202 2.767,1203 2.846,1204 2.623,1205 2.598,1206 3.763,1207 2.597,1208 0.191,1209 0.156,1210 0.283,1211 0.175,1212 0.131,1213 4.387,1214 0.173,1215 3.596,1216 0.102,1217 6.506,1218 0.444,1219 4.017,1220 0.131,1221 3.023,1222 3.981,1223 2.341,1224 10.213,1225 3.005,1226 1.973,1227 1.952,1228 2.066,1229 2.042,1230 1.326,1231 2.055,1232 1.782,1233 1.75,1234 1.943,1235 1.887,1236 1.152,1237 1.908,1238 1.717,1239 1.665,1240 1.885,1241 1.879,1242 0.946,1243 1.89,1244 1.419,1245 1.38,1246 1.639,1247 1.62,1248 0.834,1249 1.621,1250 1.101,1251 1.065,1252 1.319,1253 1.315,1254 0.459,1255 1.312,1256 0.872,1257 0.83,1258 1.103,1259 1.063,1260 0.217,1261 1.08,1262 0.791,1263 0.73,1264 1.08,1265 1,1266 0.18,1267 1.046,1268 0.753,1269 0.696,1270 1.008,1271 0.977,1272 0.101,1273 1.001,1274 3.85,1276 5.094,1278 6.526,1280 8.052,1282 9.63,1283 3.504,1289 8.68,1290 2.645,1300 26.217,1301 60.76,1302 136.838,1303 175.367,1304 198.877,1305 204.877,1306 204.877,1307 39.81,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.85,1313 3.907,1314 3.17,1315 42.048,1316 69,1317 86,1318 0.277,1319 171.927,1320 300.18,1321 411.262,1322 3097,1323 2.5,1324 15.786,1325 0.718,1326 0.627,1327 16.786,1328 13.791,1329 10.665,1330 0.464,1331 0.35,1332 7.251,1333 9.868,1334 7.041,1335 5.868,1336 11.242,1337 8.042,1338 9.126,1339 0.315,1340 0.204,1341 9.942,1342 5.925,1343 6.657,1344 0.196,1345 0.112,1346 7.181,1347 3.795,1348 5.398,1349 0.129,1350 0.063,1351 5.905,1352 2.647,1353 4.234,1354 0.085,1355 0.035,1356 4.644,1357 1.756,1358 0.431,1359 74.015,1360 0.257,1361 21.895,1362 0.77,1363 104,1364 306.185,1365 175.687,1366 337.572,1367 437,1368 312,1369 115,1370 278.513,1371 147.42,1372 297.861,1373 423.91,1374 280,1375 6.745} {0 CHEMBL277167,1 1.664,2 12.879,3 3.937,4 15.497,5 125.18,6 7.813,7 0.314,8 4.205,9 4.298,10 3.828,11 3.709,12 5.358,13 3.683,14 4.765,15 4.907,16 4.211,17 4.088,18 6.005,19 4.051,20 5.031,21 5.191,22 4.25,23 4.219,24 6.119,25 4.164,26 5.206,27 5.415,28 4.286,29 4.284,30 6.282,31 4.213,32 5.108,33 5.285,34 4.311,35 4.345,36 6.163,37 4.257,38 5.28,39 5.504,40 4.312,41 4.352,42 6.322,43 4.254,44 5.207,45 5.41,46 4.182,47 4.284,48 6.36,49 4.171,50 5.055,51 5.284,52 4.059,53 4.21,54 6.003,55 4.079,56 0.206,57 0.833,58 12.735,59 6.313,60 18.866,61 7.387,62 0.66,63 1.316,64 26.845,65 10.357,66 92.728,67 12.535,68 0.901,69 1.585,70 36.541,71 13.128,72 78.59,73 15.848,74 1.333,75 1.767,76 47.027,77 14.882,78 127.57,79 18.497,80 0.649,81 1.83,82 42.008,83 15.041,84 73.858,85 18.33,86 1.168,87 1.977,88 50.617,89 15.983,90 125.776,91 20.599,92 1.516,93 1.8,94 51.88,95 15.785,96 176.491,97 19.11,98 0.659,99 1.682,100 39.491,101 13.702,102 77.605,103 17.955,104 59,105 49,106 0.269,107 0.632,108 0.826,109 0.869,110 0.874,111 0.874,112 3.532,113 0.987,114 -3.78,115 -3.74,116 -3.55,118 37.7,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 3,141 1,142 2,143 1,150 1,154 1,156 1,162 2,163 1,167 1,168 9,169 1,171 2,172 8,175 1,177 1,180 9,181 1,185 3,186 14,191 1,194 6,195 1,197 3,198 11,203 1,206 5,207 1,210 15,215 1,218 8,219 1,221 3,222 14,227 1,229 7,230 1,233 5,234 9,239 1,242 6,247 5,248 2,255 7,258 2,259 7,262 2,267 8,268 1,270 2079,271 21.507,272 21.507,273 21.507,274 21.507,275 21.507,276 19.363,277 26.357,278 12.781,279 22.05,280 17.282,281 17.282,282 17.282,283 17.282,284 17.282,285 14.188,286 32.297,287 6.088,288 18.187,289 4.267,290 2.026,291 0.828,292 0.562,293 0.529,294 0.529,295 4.207,299 1,300 1,301 878,302 4.637,305 91.686,306 251.583,313 2.239,314 48.968,317 1,318 0.5,319 0.83,320 1,321 1,322 0.83,323 1,324 0.88,325 74,326 425,327 4.498,328 3.855,329 7.319,330 4.368,331 3.417,332 4.149,333 2.612,334 12.574,335 3.244,336 4.321,337 3.756,338 6.506,339 3.963,340 3.014,341 3.618,342 2.341,343 10.212,344 2.872,345 4.135,346 3.597,347 6.41,348 3.885,349 2.922,350 3.37,351 1.465,352 9.761,353 2.797,354 3.671,355 3.332,356 5.26,357 3.246,358 2.277,359 3.136,360 0.86,361 6.442,362 2.223,363 3.567,364 2.82,365 5.057,366 3.18,367 2.226,368 2.731,369 0.811,370 5.857,371 2.158,372 3.517,373 2.525,374 4.961,375 3.17,376 2.181,377 2.675,379 5.521,380 2.059,381 3.326,382 2.361,383 4.662,384 2.872,385 1.919,386 2.566,388 5.183,389 1.818,390 3.099,391 2.184,392 4.655,393 2.664,394 1.693,395 2.155,397 4.679,398 1.635,399 2.661,400 1.936,401 4.134,402 2.477,403 1.501,404 1.69,406 3.604,407 1.463,408 2.622,409 1.85,410 3.636,411 2.309,412 1.403,413 1.607,415 3.12,416 1.253,417 2.59,418 1.386,419 3.613,420 2,421 1,422 1.584,424 2.423,425 1,426 2.118,427 1.338,428 3.291,429 1.781,430 0.839,431 0.976,433 1.974,434 0.778,435 2.047,436 1.034,437 3.277,438 1.668,439 0.745,440 0.927,442 1.632,443 0.68,444 1.918,445 1,446 3.004,447 1.427,448 0.618,449 0.826,451 1.372,452 0.491,453 1.469,454 0.733,455 3,456 1.159,457 0.227,458 0.268,460 0.571,461 0.209,462 15.467,463 0.469,464 1.002,465 0.03,466 36.75,467 1.114,468 16,469 0.485,470 20.75,471 0.629,472 36.081,473 1.093,474 37.933,475 0.622,476 30.256,477 0.917,478 7.008,479 0.212,480 8.662,481 0.262,482 0.183,483 0.032,484 0.284,487 0.669,488 1.226,489 0.746,490 1.095,491 0.636,492 1.027,493 0.793,494 1.117,495 0.834,496 1.059,497 0.44,498 0.969,499 1.059,500 1.183,501 1.024,502 1.18,503 0.742,504 1.162,505 1.208,506 0.789,507 0.904,508 0.75,509 0.768,510 0.818,511 0.892,512 1.296,513 1.166,514 1.328,515 0.683,516 1.209,517 1.014,518 0.917,519 0.947,520 0.926,521 0.893,522 0.979,523 1.141,524 0.938,525 1.301,526 1.041,527 1.167,528 1.032,529 0.752,530 1.089,531 0.996,532 1.079,533 0.643,534 1.111,535 8,536 0.281,537 4.222,538 2.278,539 2.147,540 1.615,541 0.775,542 0.583,543 0.443,544 0.347,545 14346,546 48336,547 1.969,548 45.9,549 7,550 8,551 1,552 2,553 1,554 2,555 6,556 1,558 1.756,559 1.808,560 3.596,561 -0.292,563 1,567 101.476,568 1.664,569 3.905,570 5.102,571 5.369,572 5.402,573 5.402,574 3.112,575 4.741,576 5.007,577 3.823,578 2018.42,579 8.795,580 30474.7,585 361.775,586 1.645,587 4.947,588 0.229,589 0.008,590 0.086,591 0.046,592 0.042,593 0.031,594 0.016,595 0.013,596 0.011,597 0.009,598 0.492,599 0.33,600 0.88,601 1.637,602 175.616,603 0.059,604 -0.014,605 0.063,606 0.01,607 -0.04,609 0.127,610 -0.031,611 0.092,612 0.004,613 0.219,614 0.037,615 -0.019,616 -0.17,617 -0.11,618 -0.181,619 -0.047,620 -0.18,621 -0.086,622 0.138,623 0.053,624 0.181,626 0.147,627 -0.086,628 -0.222,629 -0.143,630 -0.228,631 -0.016,632 -0.185,633 -0.068,634 0.057,635 0.008,636 0.012,637 -0.065,638 -0.005,639 -0.035,640 0.024,641 -0.179,642 0.014,643 -0.083,644 -0.047,645 -0.051,646 -0.073,647 -0.049,648 -0.085,649 -0.05,650 -0.092,651 2.495,652 4.489,653 0.515,654 40.061,655 1.017,656 1.128,657 2.547,658 6.487,659 0.651,660 3.584,661 3.912,662 4.111,663 4.344,664 4.543,665 4.644,666 4.727,667 4.736,668 4.812,669 4.89,670 7.583,671 0.624,672 476.6,673 3.584,674 5.13,675 5.958,676 6.838,677 7.696,678 8.582,679 9.453,680 10.344,681 11.223,682 12.117,683 3.3,693 1,694 1,699 5,700 1,703 1,704 4,706 11,718 1,722 1,724 61,726 15,727 1,728 35,730 63,731 23,733 9,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,753 12,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 28,773 8,774 1,775 10,776 1,779 2,784 1,785 7,801 1,802 2,818 1,822 2,830 1,831 2,832 3,834 1,836 3,840 33,845 1,846 4,848 3,850 3,852 1,855 1,862 11.5,864 1,865 1,866 2,867 1,868 2,869 18.25,870 11.6,871 7.236,872 3.543,874 1.928,875 1.26,876 0.897,877 8.71,878 9.332,879 3.818,880 4.341,881 4.724,882 5.193,883 5.532,884 5.679,885 5.883,886 5.907,887 6.062,888 6.33,889 0.889,890 49,891 12.29,893 5.267,894 8.043,895 22.871,897 18.534,899 2.543,900 83.917,904 317.82,905 147.412,906 22.456,908 151.575,910 31.278,911 116.134,912 469.395,913 22.456,914 32.146,915 12.196,916 47.741,917 138.286,918 31.233,919 13.13,920 313.784,921 50.747,922 317.82,923 138.59,924 151.575,925 31.278,927 235.422,928 161.226,929 72.747,930 0.36,931 54.939,932 41.883,933 41.408,934 31.278,935 317.82,936 174.03,937 147.412,940 318.179,941 56.928,942 95.795,944 168.36,945 317.82,946 174.03,947 147.412,949 0.583,950 0.319,951 0.165,952 0.091,953 21,954 11,955 0.159,956 10,958 1,959 4.256,960 294.705,962 17,963 162.465,964 1,968 25.441,969 11.298,970 6.903,972 168.36,973 8.315,974 4.163,977 1.482,978 1.758,980 42.683,981 639.262,982 44.5,985 -0.464,987 33.658,989 3.805,991 -0.828,994 62.058,995 68.78,996 0.28,997 0.658,998 0.86,999 0.905,1000 0.911,1001 0.911,1002 5.074,1003 1.693,1004 5.979,1005 5.183,1006 4.595,1007 5.027,1008 3.327,1009 6.817,1010 4.498,1011 6.275,1012 1.501,1013 7.565,1014 4.679,1015 4.369,1016 4.89,1017 2.946,1018 7.999,1019 4.245,1020 7.585,1021 1.403,1022 9.267,1023 3.604,1024 6.252,1025 7.095,1026 4.714,1027 11.038,1028 6.064,1029 8.925,1030 1,1031 11.042,1032 3.12,1033 6.836,1034 7.745,1035 5.015,1036 13.06,1037 6.603,1038 10.297,1039 0.839,1040 12.866,1041 2.423,1042 8.251,1043 9.464,1044 6.371,1045 15.704,1046 7.966,1047 11.69,1048 0.745,1049 14.724,1050 1.974,1051 9.185,1052 10.477,1053 6.969,1054 18.028,1055 8.845,1056 13.099,1057 0.618,1058 16.607,1059 1.632,1060 10.442,1061 12.01,1062 8.135,1063 20.564,1064 10.055,1065 3.417,1066 0.227,1067 18.509,1068 1.372,1069 11.527,1070 13.205,1071 8.883,1072 23.001,1073 11.083,1074 3.014,1075 12.574,1076 20.426,1077 0.571,1078 12.735,1079 14.661,1080 9.951,1081 25.512,1082 12.242,1083 2.922,1084 10.212,1085 22.353,1086 4.149,1087 13.885,1088 15.953,1089 10.78,1090 27.995,1091 13.336,1092 2.277,1093 9.761,1094 24.29,1095 3.618,1096 15.083,1097 17.378,1098 11.796,1099 30.505,1100 14.483,1101 2.226,1102 6.442,1103 26.234,1104 3.37,1105 16.262,1106 18.723,1107 12.672,1108 33.008,1109 15.608,1110 2.181,1111 5.857,1112 28.184,1113 3.136,1114 17.461,1115 20.137,1116 13.659,1117 35.523,1118 16.755,1119 1.919,1120 5.521,1121 30.138,1122 2.731,1123 18.655,1124 21.511,1125 14.565,1126 38.038,1127 17.896,1128 14321,1129 26422,1130 22.364,1131 39.739,1132 52.977,1133 54.193,1134 53.573,1135 51.889,1136 52.024,1137 64.625,1138 16.179,1139 149.989,1140 49.421,1141 5.498,1142 5.855,1143 7.09,1144 5.474,1145 5.417,1146 7.149,1147 4.612,1148 20.08,1149 5.244,1150 20.592,1151 1.514,1152 1.548,1153 1.531,1154 1.483,1155 1.486,1156 1.846,1157 0.462,1158 4.285,1159 1.412,1160 4.024,1161 4.043,1162 4.218,1163 3.907,1164 7.815,1165 3.905,1166 3.925,1167 3.947,1168 3.976,1169 3.856,1170 7.474,1171 3.822,1172 3.735,1173 3.772,1174 3.732,1175 3.654,1176 6.999,1177 3.622,1178 3.692,1179 3.723,1180 3.606,1181 3.539,1182 6.351,1183 3.54,1184 3.547,1185 3.589,1186 3.48,1187 3.393,1188 4.927,1189 3.385,1190 3.516,1191 3.546,1192 3.436,1193 3.124,1194 4.82,1195 3.193,1196 3.317,1197 3.346,1198 3.214,1199 3.095,1200 4.689,1201 3.115,1202 3.109,1203 3.181,1204 2.937,1205 2.905,1206 4.392,1207 2.914,1208 0.129,1209 0.11,1210 0.209,1211 0.125,1212 0.098,1213 4.498,1214 0.119,1215 3.855,1216 0.075,1217 7.319,1218 0.359,1219 4.368,1220 0.093,1221 3.417,1222 4.149,1223 2.612,1224 12.574,1225 3.244,1226 1.931,1227 1.911,1228 2.034,1229 2.097,1230 1.353,1231 2.062,1232 1.837,1233 1.807,1234 2.007,1235 1.998,1236 1.161,1237 1.997,1238 1.686,1239 1.648,1240 1.894,1241 1.869,1242 1.129,1243 1.876,1244 1.583,1245 1.54,1246 1.811,1247 1.761,1248 1.075,1249 1.777,1250 1.358,1251 1.334,1252 1.533,1253 1.7,1254 0.745,1255 1.619,1256 1.286,1257 1.241,1258 1.527,1259 1.55,1260 0.593,1261 1.543,1262 1.224,1263 1.177,1264 1.424,1265 1.469,1266 0.589,1267 1.456,1268 1.175,1269 1.149,1270 1.417,1271 1.343,1272 0.469,1273 1.364,1274 4.263,1276 5.587,1277 2.398,1278 7.089,1279 4.443,1280 8.683,1281 6.293,1282 10.331,1284 5.333,1289 8.772,1290 1.595,1292 18.391,1294 -1.054,1296 -1.009,1300 38.082,1301 101.476,1302 238.175,1303 311.246,1304 327.51,1305 329.51,1306 329.51,1307 99.207,1308 7.404,1309 123.7,1310 151.94,1311 17,1312 12.646,1313 4,1314 3.392,1315 64.078,1316 147,1317 176,1318 0.211,1319 238.488,1320 428.5,1321 573.671,1322 15547,1324 24.01,1325 0.728,1326 0.594,1327 24.363,1328 19.618,1329 15.67,1330 0.448,1331 0.329,1332 10.525,1333 14.39,1334 10.12,1335 8.398,1336 16.124,1337 11.514,1338 14.789,1339 0.302,1340 0.191,1341 15.372,1342 9.377,1343 10.97,1344 0.183,1345 0.102,1346 11.636,1347 6.111,1348 8.835,1349 0.116,1350 0.057,1351 9.506,1352 4.334,1353 6.91,1354 0.074,1355 0.03,1356 7.297,1357 2.836,1358 0.332,1359 104.598,1360 0.211,1361 30.77,1362 0.577,1363 168,1364 600.714,1365 215.674,1366 575.546,1367 750.58,1368 532,1369 193,1370 514.817,1371 236.91,1372 522.319,1373 757.45,1374 485,1375 7.745} {0 CHEMBL277619,1 1.495,2 13.219,3 5.012,4 25.118,5 126.012,6 7.075,7 0.353,8 4.175,9 4.304,10 3.68,11 3.716,12 5.299,13 3.681,14 4.7,15 4.883,16 3.968,17 4.098,18 5.791,19 4.015,20 5.028,21 5.279,22 3.985,23 4.24,24 5.921,25 4.122,26 5.031,27 5.292,28 3.988,29 4.224,30 5.963,31 4.103,32 4.992,33 5.234,34 4.037,35 4.238,36 6.003,37 4.14,38 5.019,39 5.258,40 4.029,41 4.277,42 6.023,43 4.165,44 5.018,45 5.268,46 3.96,47 4.236,48 6.035,49 4.11,50 4.944,51 5.199,52 3.89,53 4.09,54 6.03,55 3.977,56 0.05,57 0.888,58 12.982,59 5.482,60 15.084,61 7.506,62 0.286,63 1.402,64 23.312,65 9.629,66 48.49,67 13.408,68 0.315,69 1.752,70 34.882,71 12.31,72 54.195,73 18.085,74 0.347,75 1.756,76 35.252,77 12.397,78 58.25,79 18.297,80 0.329,81 1.752,82 33.386,83 11.261,84 60.075,85 16.708,86 0.286,87 1.812,88 33.916,89 11.952,90 54.375,91 17.696,92 0.249,93 1.757,94 34.148,95 12.229,96 58.89,97 18.103,98 0.26,99 1.565,100 32.277,101 11.107,102 62.407,103 16.304,104 21,105 43,106 0.241,107 0.593,108 0.739,109 0.838,110 0.86,111 0.86,112 3.502,113 0.978,114 -4.71,115 -4.63,116 -4.35,118 41,120 8,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,176 1,177 5,180 18,181 1,186 3,191 5,194 17,195 1,198 7,201 2,203 7,206 14,207 1,210 8,215 6,218 12,219 1,222 10,227 5,229 12,230 2,234 8,239 5,242 11,243 3,247 7,248 1,250 1,252 7,255 8,256 3,258 1,259 6,262 1,264 6,267 6,270 1940,271 21.974,272 21.974,273 21.974,274 21.974,275 21.974,276 19.719,277 19.554,278 13.815,279 22.29,280 16.83,281 16.83,282 16.83,283 16.83,284 16.83,285 13.47,286 23.953,287 6.571,288 17.309,289 4.436,290 2.246,291 1.345,292 0.726,293 0.59,294 0.59,295 4.189,299 1,300 1,301 882,302 4.359,306 386.478,313 2.031,314 27.066,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 68.5,326 423,327 4.381,328 3.928,329 6.5,330 4.014,331 3.017,332 3.97,333 2.341,334 10.18,335 3.01,336 4.03,337 3.596,338 5.674,339 3.663,340 2.724,341 3.504,342 1.473,343 7.981,344 2.566,345 3.81,346 3.097,347 5.38,348 3.458,349 2.479,350 3.169,351 0.981,352 7.036,353 2.426,354 3.553,355 3.014,356 5.182,357 3.237,358 2.232,359 2.854,360 0.247,361 6.294,362 2.219,363 3.513,364 2.579,365 4.863,366 3.182,367 2.215,368 2.709,370 5.554,371 2.137,372 3.476,373 2.352,374 4.659,375 2.956,376 1.996,377 2.422,379 5.183,380 1.907,381 3.196,382 2.114,383 4.139,384 2.593,385 1.604,386 2.203,388 3.784,389 1.582,390 3.004,391 1.881,392 3.593,393 2.415,394 1.436,395 1.75,397 3.041,398 1.404,399 2.72,400 1.498,401 3.564,402 2.374,403 1.396,404 1.646,406 2.946,407 1.361,408 2.5,409 1.471,410 3.414,411 2,412 1.028,413 1.5,415 2.275,416 1,417 2.5,418 1.129,419 3.298,420 2,421 1,422 1.5,424 2.136,425 1,426 2.436,427 1,428 3.247,429 1.958,430 1,431 1.377,433 2.136,434 0.955,435 2.231,436 1,437 3.247,438 1.945,439 1,440 1.107,442 2.065,443 0.941,444 2,445 1,446 3.118,447 1.838,448 0.852,449 1,451 1.73,452 0.837,453 1.49,454 0.735,455 2.874,456 1.212,457 0.227,458 0.251,460 0.52,461 0.221,462 15.167,463 0.474,464 0.52,465 0.016,466 39.75,467 1.242,468 20,469 0.625,470 19.75,471 0.617,472 28.402,473 0.888,474 34.633,475 0.568,476 30.318,477 0.947,478 7.434,479 0.232,480 8.218,481 0.257,482 0.07,484 0.231,487 0.841,488 1.278,489 0.867,490 1.086,491 0.614,492 0.995,493 0.436,494 1.112,495 0.957,496 1.192,497 0.327,498 1.155,499 0.894,500 1.015,501 0.969,502 0.971,503 0.678,504 0.978,505 0.768,506 0.971,507 0.899,508 0.94,509 0.619,510 0.937,511 0.999,512 1.002,513 0.998,514 0.917,515 0.846,516 0.941,517 0.838,518 1.074,519 1.049,520 1.04,521 0.762,522 1.057,523 0.737,524 1.087,525 1.016,526 1.097,527 0.955,528 1.085,529 0.9,530 1.076,531 0.957,532 1.095,533 1.052,534 1.037,535 5,536 0.178,537 2.222,538 1.625,539 1.004,540 0.542,541 0.563,542 0.472,543 0.373,544 0.228,545 14480,546 38605,547 2.048,548 47.5,549 10,550 8,552 2,553 3,554 2,555 4,558 1.747,559 1.959,560 3.672,561 0.822,567 91.187,568 1.495,569 3.684,570 4.586,571 5.205,572 5.341,573 5.341,574 3.091,575 4.093,576 4.967,577 3.877,578 1923.24,579 8.702,580 29605.2,582 1,585 361.775,586 1.171,587 4.951,588 0.147,589 0.006,590 0.052,591 0.038,592 0.023,593 0.012,594 0.013,595 0.012,596 0.01,597 0.007,598 0.319,599 0.17,600 1,601 1.445,602 170.768,603 -0.072,604 -0.072,605 0.019,606 0.015,607 0.02,608 0.026,609 0.266,610 -0.002,611 -0.049,612 -0.129,613 0.228,614 -0.135,615 -0.077,616 -0.025,617 -0.005,618 0.028,619 -0.028,620 0.022,621 0.016,622 0.01,623 0.069,624 0.051,625 0.017,626 0.061,627 -0.132,628 0.042,629 -0.032,630 0.065,631 -0.089,632 0.038,633 -0.105,634 -0.026,635 -0.102,636 -0.042,637 -0.083,638 -0.064,639 -0.042,640 -0.076,641 -0.067,642 -0.096,643 -0.089,644 -0.082,645 0.021,646 -0.1,647 0.024,648 -0.114,649 0.003,650 -0.051,651 2.451,652 3.809,653 0.563,654 39.375,655 0.996,656 1.129,657 3.484,658 12.137,659 0.657,660 3.555,661 3.784,662 3.97,663 4.19,664 4.382,665 4.369,666 4.511,667 4.615,668 4.635,669 4.654,670 7.917,671 0.621,672 431.59,673 3.555,674 5.043,675 5.844,676 6.676,677 7.497,678 8.339,679 9.171,680 10.019,681 10.857,682 11.707,683 8.2,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 61,726 16,727 1,728 34,730 63,731 25,733 11,734 2,735 4,736 2,739 3,740 3,743 1,748 6,751 9,752 1,753 15,754 9,756 3,761 1,763 1,764 1,765 3,772 29,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 3,818 1,822 1,823 1,826 1,830 1,832 3,840 32,845 1,846 8,847 2,850 1,853 1,858 1,860 1,862 3.3,864 1,865 1,869 16.333,870 10.55,871 7.389,872 3.924,874 2.319,875 1.321,876 0.938,877 9.284,878 9.536,879 3.829,880 4.277,881 4.727,882 5.228,883 5.7,884 5.88,885 6.275,886 6.605,887 6.855,888 7.109,889 0.889,890 43,891 11.787,893 4.822,894 7.807,895 22.656,897 18.172,899 2.307,900 73.833,903 1,904 306.049,905 136,906 100.652,908 67.828,911 136,912 373.877,913 100.652,915 20.276,916 84.344,917 143.25,918 78.253,919 1.899,920 282.506,922 306.049,923 236.652,924 67.828,927 258.964,928 114.913,931 104.227,932 88.153,933 44.273,935 306.049,936 168.48,937 136,940 306.049,941 35.399,942 84.429,943 52.194,944 132.459,945 306.049,946 168.48,947 136,949 0.551,950 0.301,951 0.167,952 0.093,953 16,954 7,955 0.159,956 10,958 1,959 4.412,960 267.626,962 18,963 152,968 23.506,969 12.639,970 7.806,972 168.48,973 15.325,974 4.218,978 2.828,980 78.705,981 610.529,982 45,987 10.809,989 2.065,990 3.915,991 0.707,994 60.767,995 68.893,996 0.252,997 0.621,998 0.773,999 0.878,1000 0.9,1001 0.9,1002 5.03,1003 1.436,1004 5.765,1005 3.784,1006 4.466,1007 4.963,1008 2.745,1009 6.466,1010 4.415,1011 6.185,1012 1.396,1013 7.245,1014 3.041,1015 3.761,1016 4.425,1017 2.331,1018 7.154,1019 3.687,1020 7.444,1021 1.028,1022 8.827,1023 2.946,1024 5.938,1025 6.973,1026 3.86,1027 10.242,1028 5.842,1029 8.732,1030 1,1031 10.474,1032 2.275,1033 6.089,1034 7.27,1035 4.148,1036 11.849,1037 5.977,1038 10.051,1039 1,1040 12.167,1041 2.136,1042 7.676,1043 9.266,1044 5.3,1045 14.421,1046 7.548,1047 11.392,1048 1,1049 13.893,1050 2.136,1051 8.263,1052 9.996,1053 5.904,1054 16.426,1055 8.126,1056 12.752,1057 0.852,1058 15.645,1059 2.065,1060 9.575,1061 11.718,1062 6.888,1063 18.823,1064 9.425,1065 3.017,1066 0.227,1067 17.416,1068 1.73,1069 10.397,1070 12.7,1071 7.631,1072 21.003,1073 10.245,1074 2.724,1075 10.18,1076 19.202,1077 0.52,1078 11.578,1079 14.269,1080 8.541,1081 23.343,1082 11.418,1083 2.479,1084 7.981,1085 21.002,1086 3.97,1087 12.526,1088 15.405,1089 9.345,1090 25.599,1091 12.368,1092 2.232,1093 7.036,1094 22.813,1095 3.504,1096 13.648,1097 16.887,1098 10.222,1099 27.921,1100 13.486,1101 2.215,1102 6.294,1103 24.632,1104 3.169,1105 14.663,1106 18.115,1107 11.052,1108 30.211,1109 14.505,1110 1.996,1111 5.554,1112 26.46,1113 2.854,1114 15.761,1115 19.548,1116 11.914,1117 32.529,1118 15.603,1119 1.604,1120 5.183,1121 28.294,1122 2.709,1123 16.811,1124 20.834,1125 12.756,1126 34.834,1127 16.658,1128 14226,1129 23388,1130 22.94,1131 40.074,1132 49.974,1133 51.593,1134 49.714,1135 48.485,1136 48.411,1137 61.925,1138 10.085,1139 125.719,1140 47.134,1141 5.381,1142 5.928,1143 6.302,1144 5.051,1145 5.017,1146 6.97,1147 3.925,1148 16.925,1149 5.01,1150 13.815,1151 1.47,1152 1.517,1153 1.462,1154 1.426,1155 1.424,1156 1.821,1157 0.297,1158 3.698,1159 1.386,1160 4.015,1161 4.049,1162 3.96,1163 3.95,1164 7.474,1165 3.948,1166 3.876,1167 3.934,1168 3.774,1169 3.751,1170 6.832,1171 3.743,1172 3.804,1173 3.847,1174 3.717,1175 3.712,1176 6.351,1177 3.71,1178 3.696,1179 3.741,1180 3.581,1181 3.549,1182 4.927,1183 3.545,1184 3.535,1185 3.603,1186 3.484,1187 3.305,1188 4.782,1189 3.344,1190 3.373,1191 3.403,1192 3.291,1193 3.193,1194 4.553,1195 3.212,1196 3.151,1197 3.237,1198 3.037,1199 2.945,1200 4.258,1201 2.949,1202 3.111,1203 3.206,1204 2.938,1205 2.941,1206 4.188,1207 2.91,1208 0.129,1209 0.116,1210 0.191,1211 0.118,1212 0.089,1213 4.381,1214 0.117,1215 3.928,1216 0.069,1217 6.5,1218 0.299,1219 4.014,1220 0.089,1221 3.017,1222 3.97,1223 2.341,1224 10.18,1225 3.01,1226 1.978,1227 1.953,1228 2.095,1229 2.064,1230 1.476,1231 2.072,1232 1.872,1233 1.814,1234 2.073,1235 2.026,1236 1.283,1237 2.047,1238 1.789,1239 1.753,1240 1.922,1241 1.912,1242 1.124,1243 1.916,1244 1.678,1245 1.629,1246 1.887,1247 1.856,1248 0.945,1249 1.868,1250 1.427,1251 1.364,1252 1.574,1253 1.683,1254 0.825,1255 1.652,1256 1.31,1257 1.268,1258 1.517,1259 1.528,1260 0.824,1261 1.517,1262 1.153,1263 1.064,1264 1.513,1265 1.376,1266 0.675,1267 1.429,1268 1.118,1269 1.039,1270 1.345,1271 1.36,1272 0.393,1273 1.37,1274 4.234,1276 5.485,1278 6.925,1280 8.451,1282 10.025,1289 8.884,1290 7.235,1291 6.578,1294 0.341,1298 9.057,1299 1.87,1300 37.858,1301 91.187,1302 224.739,1303 279.736,1304 317.51,1305 325.775,1306 325.775,1307 66.953,1308 7.217,1309 110.4,1310 110.4,1311 18,1312 12.268,1313 4.087,1314 3.585,1315 61.091,1316 152,1317 144,1318 0.193,1319 238.161,1320 425.72,1321 572.874,1322 12825,1324 22.598,1325 0.706,1326 0.566,1327 22.598,1328 18.127,1329 15.652,1330 0.46,1331 0.326,1332 10.982,1333 15.183,1334 10.784,1335 9.001,1336 15.652,1337 11.086,1338 13.151,1339 0.306,1340 0.183,1341 13.151,1342 7.887,1343 10.076,1344 0.194,1345 0.105,1346 10.076,1347 5.482,1348 8.309,1349 0.128,1350 0.06,1351 8.309,1352 3.881,1353 6.645,1354 0.084,1355 0.034,1356 6.645,1357 2.709,1358 0.308,1359 97.192,1360 0.209,1361 30.404,1362 0.514,1363 154,1364 437.486,1365 166.56,1366 433.209,1367 578.61,1368 402,1369 172,1370 413.23,1371 182.152,1372 421.413,1373 597.89,1374 396,1375 6.745} {0 CHEMBL277620,1 1.644,2 11.25,3 3.727,4 13.892,5 126.942,6 7.397,7 0.364,8 4.187,9 4.304,10 3.857,11 3.723,12 5.285,13 3.669,14 4.714,15 4.891,16 4.09,17 4.067,18 6.038,19 3.997,20 4.979,21 5.192,22 4.04,23 4.193,24 6.067,25 4.097,26 5.026,27 5.281,28 4.135,29 4.216,30 6.058,31 4.103,32 5.01,33 5.216,34 4.244,35 4.318,36 6.076,37 4.217,38 5.186,39 5.406,40 4.317,41 4.462,42 6.253,43 4.332,44 5.277,45 5.489,46 4.165,47 4.432,48 6.416,49 4.297,50 5.24,51 5.535,52 4.079,53 4.275,54 6.208,55 4.122,56 0.114,57 0.907,58 16.325,59 6.014,60 22.86,61 7.689,62 0.502,63 1.385,64 27.714,65 10.006,66 89.091,67 13.127,68 0.553,69 1.672,70 34.542,71 10.632,72 92.205,73 15.269,74 0.521,75 1.715,76 37.599,77 12.643,78 79.931,79 18.147,80 0.488,81 1.844,82 35.966,83 11.72,84 69.317,85 15.917,86 0.359,87 2.077,88 50.726,89 17.499,90 71.816,91 22.32,92 0.69,93 2.091,94 46.914,95 16.366,96 136.147,97 21.841,98 0.479,99 1.903,100 48.582,101 15.731,102 87.002,103 22.69,104 92,105 46,106 0.265,107 0.611,108 0.778,109 0.834,110 0.839,111 0.839,112 3.502,113 1.099,114 -3.47,115 -3.45,116 -3.3,118 37.1,119 3,120 3,123 1,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 1,155 1,163 1,167 1,168 12,169 1,171 1,172 6,175 5,176 1,177 3,180 17,181 1,186 3,191 3,194 14,195 1,197 2,198 5,201 2,203 11,206 13,207 1,210 6,215 5,218 12,219 1,222 15,227 5,229 14,230 2,234 10,237 1,239 6,242 10,243 3,247 9,248 1,252 6,255 7,256 2,258 2,259 8,262 2,264 4,265 1,267 6,268 1,270 1936,271 20.17,272 20.17,273 20.17,274 20.17,275 20.17,276 17.746,277 20.376,278 12.134,279 20.479,280 16.391,281 16.391,282 16.391,283 16.391,284 16.391,285 12.691,286 29.166,287 5.877,288 16.919,289 4.31,290 2.159,291 1.122,292 0.775,293 0.743,294 0.743,295 4.163,299 1,300 1,301 717,302 5.431,306 250.266,313 1.891,314 38.957,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 70,326 360,327 4.648,328 4.314,329 6.518,330 4.143,331 3.196,332 4.438,333 2.341,334 10.398,335 3.041,336 4.393,337 3.596,338 6.504,339 4.023,340 3.064,341 3.987,342 1.233,343 10.221,344 3.014,345 4.227,346 3.374,347 6.388,348 4.013,349 3.026,350 3.518,351 0.268,352 9.977,353 2.872,354 3.919,355 3.052,356 5.557,357 3.524,358 2.556,359 3.355,361 7.581,362 2.477,363 3.557,364 2.789,365 5.184,366 3.237,367 2.232,368 2.86,370 6.335,371 2.219,372 3.538,373 2.391,374 4.819,375 3.123,376 2.165,377 2.709,379 5.366,380 2.072,381 3.324,382 2.072,383 4.659,384 2.835,385 1.883,386 2.477,388 5.181,389 1.784,390 2.968,391 1.844,392 4.112,393 2.545,394 1.559,395 2.12,397 3.721,398 1.533,399 2.725,400 1.476,401 3.564,402 2.374,403 1.395,404 1.78,406 2.946,407 1.361,408 2.636,409 1.208,410 3.496,411 2.175,412 1.182,413 1.669,415 2.616,416 1.173,417 2.5,418 1.101,419 3.26,420 1.957,421 1,422 1.5,424 2.136,425 0.954,426 2.204,427 1,428 3.247,429 1.802,430 0.805,431 1.062,433 1.923,434 0.799,435 1.3,436 0.804,437 3.187,438 1.123,439 0.122,440 0.136,442 0.279,443 0.121,444 1.275,445 0.585,446 3.024,447 0.9,448 -0.04,449 -0.047,451 -0.115,452 -0.038,453 1.101,454 0.305,455 2.591,456 0.756,457 -0.172,458 -0.204,460 -0.563,461 -0.159,462 15.267,463 0.477,464 1.159,465 0.036,466 39.25,467 1.227,468 20,469 0.625,470 19.25,471 0.602,472 31.224,473 0.976,474 36.333,475 0.586,476 33.568,477 1.049,478 7.459,479 0.233,480 7.469,481 0.233,482 0.218,483 0.087,484 0.197,487 0.659,488 1.415,489 0.89,490 1.29,491 0.738,492 1.061,493 0.444,494 1.135,495 0.977,496 1.152,497 0.405,498 1.007,499 1.245,500 1.045,501 1.039,502 0.927,503 1.184,504 1.079,505 0.51,506 1.026,507 0.672,508 0.827,509 0.472,510 0.831,511 1.119,512 0.957,513 1.091,514 0.882,515 0.837,516 1.01,517 0.694,518 1.162,519 1.275,520 1.333,521 0.602,522 1.066,523 1.274,524 1.13,525 1.131,526 1.113,527 1.434,528 1.265,529 0.622,530 0.895,531 0.649,532 0.817,533 0.548,534 0.809,535 9.5,536 0.322,537 2.444,538 2.563,539 1.173,540 1.424,541 0.728,542 0.696,543 0.542,544 0.433,545 12193,546 38638,547 1.895,548 48.4,549 4,550 10,552 2,553 3,554 2,555 9,558 1.751,559 1.73,560 3.396,561 0.884,563 1,567 101.912,568 1.644,569 3.795,570 4.832,571 5.179,572 5.212,573 5.212,574 2.84,575 4.078,576 4.969,577 3.684,578 1827.2,579 8.732,580 27452.5,585 369.16,586 1.703,587 4.885,588 0.288,589 0.009,590 0.053,591 0.063,592 0.025,593 0.029,594 0.013,595 0.016,596 0.013,597 0.012,598 0.52,599 0.33,600 0.88,601 1.953,602 168.294,603 0.027,604 -0.133,605 0.171,606 -0.052,607 -0.146,608 0.014,609 0.363,610 0.014,611 0.031,612 -0.055,613 0.351,614 0.017,615 -0.253,616 0.023,617 -0.194,618 -0.026,619 -0.242,620 -0.128,621 0.179,622 -0.038,623 0.208,624 0.113,625 0.116,626 0.171,627 -0.25,628 0.209,629 -0.137,630 0.103,631 -0.152,632 -0.046,633 -0.004,634 -0.095,635 -0.084,636 -0.122,637 0.085,639 -0.214,640 -0.149,641 -0.269,642 -0.176,643 -0.245,644 -0.288,645 0.082,646 -0.015,647 0.237,648 0.087,649 0.106,650 0.189,651 4.435,652 4.783,653 0.375,654 35.25,655 1.005,656 1.131,657 2.244,658 5.037,659 0.651,660 3.526,661 3.85,662 3.871,663 4.143,664 4.29,665 4.407,666 4.407,667 4.543,668 4.554,669 4.605,670 7.198,671 0.613,672 458.64,673 3.526,674 5.069,675 5.844,676 6.723,677 7.521,678 8.406,679 9.217,680 10.105,681 10.924,682 11.813,683 6.5,685 1,688 1,692 1,693 1,699 8,700 1,704 3,706 12,717 1,724 62,726 17,727 1,728 33,730 63,731 23,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 3,751 3,753 15,754 8,755 1,756 5,760 1,761 3,763 1,764 1,765 3,769 1,772 30,773 8,774 3,775 9,776 1,779 4,784 1,785 4,795 1,802 2,818 1,822 1,823 1,830 1,832 2,834 1,836 4,840 32,844 1,845 1,846 3,847 2,852 1,862 6.5,864 1,865 3,869 18.5,870 12.017,871 6.889,872 3.471,874 2.435,875 1.349,876 0.913,877 8.996,878 9.412,879 3.807,880 4.382,881 4.682,882 5.235,883 5.684,884 5.918,885 6.237,886 6.593,887 6.837,888 7.102,889 1,890 41,891 12.006,893 5.109,894 8.021,895 22.19,897 17.522,899 2.521,900 80.667,903 1,904 317.82,905 146.628,906 67.987,908 112.141,910 5.807,911 140.821,912 429.961,913 67.987,914 33.666,915 7.604,916 88.546,917 171.39,918 47.194,919 1.899,920 294.278,922 317.82,923 208.807,924 112.141,925 5.807,927 211.88,928 218.081,931 85.365,932 79.17,933 50.08,935 317.82,936 180.128,937 146.628,939 5.807,940 317.82,941 22.726,942 118.095,943 34.416,944 145.712,945 317.82,946 180.128,947 146.628,949 0.582,950 0.267,951 0.146,952 0.082,953 18,954 10,955 0.175,956 11,958 1,959 4.101,960 270.595,962 12,963 153.245,967 1,968 25.571,969 11.258,970 9.996,972 180.128,973 14.714,974 4.193,978 2.438,980 77.099,981 644.576,982 44,986 -3.518,987 34.396,989 1.998,990 4.434,991 0.222,994 62.28,995 70.148,996 0.276,997 0.637,998 0.812,999 0.87,1000 0.875,1001 0.875,1002 5.05,1003 1.559,1004 5.894,1005 5.181,1006 4.533,1007 5.069,1008 2.515,1009 6.696,1010 4.469,1011 6.3,1012 1.395,1013 7.453,1014 3.721,1015 4.443,1016 5.156,1017 2.331,1018 7.915,1019 4.322,1020 7.644,1021 1.182,1022 9.123,1023 2.946,1024 6.209,1025 7.294,1026 3.711,1027 10.775,1028 6.072,1029 9.021,1030 1,1031 10.857,1032 2.616,1033 6.825,1034 8.107,1035 4.145,1036 12.699,1037 6.629,1038 10.426,1039 0.805,1040 12.631,1041 2.136,1042 8.188,1043 9.836,1044 5.225,1045 15.198,1046 7.971,1047 11.851,1048 0.122,1049 14.43,1050 1.923,1051 9.096,1052 10.975,1053 5.899,1054 17.369,1055 8.824,1056 13.292,1057 -0.04,1058 16.245,1059 0.279,1060 10.314,1061 12.548,1062 6.855,1063 19.755,1064 10.014,1065 3.196,1066 -0.172,1067 18.073,1068 -0.115,1069 11.348,1070 13.848,1071 7.628,1072 22.019,1073 10.999,1074 3.064,1075 10.398,1076 19.91,1077 -0.563,1078 12.511,1079 15.357,1080 8.527,1081 24.366,1082 12.129,1083 3.026,1084 10.221,1085 21.753,1086 4.438,1087 13.602,1088 16.739,1089 9.343,1090 26.666,1091 13.174,1092 2.556,1093 9.977,1094 23.601,1095 3.987,1096 14.746,1097 18.222,1098 10.216,1099 29,1100 14.281,1101 2.232,1102 7.581,1103 25.453,1104 3.518,1105 15.862,1106 19.648,1107 11.051,1108 31.314,1109 15.353,1110 2.165,1111 6.335,1112 27.308,1113 3.355,1114 17,1115 21.122,1116 11.912,1117 33.643,1118 16.453,1119 1.883,1120 5.366,1121 29.166,1122 2.86,1123 18.128,1124 22.571,1125 12.755,1126 35.965,1127 17.539,1128 12584,1129 22556,1130 20.455,1131 40.387,1132 49.277,1133 50.665,1134 48.978,1135 48.536,1136 48.37,1137 63.223,1138 7.684,1139 137.36,1140 46.839,1141 5.516,1142 6.314,1143 6.32,1144 5.179,1145 5.196,1146 7.438,1147 3.925,1148 17.205,1149 5.041,1150 21.724,1151 1.493,1152 1.535,1153 1.484,1154 1.471,1155 1.466,1156 1.916,1157 0.233,1158 4.162,1159 1.419,1160 4.033,1161 4.056,1162 4.715,1163 3.968,1164 7.718,1165 3.952,1166 3.946,1167 3.936,1168 3.955,1169 3.906,1170 7.474,1171 3.782,1172 3.802,1173 3.831,1174 3.749,1175 3.712,1176 6.999,1177 3.707,1178 3.716,1179 3.764,1180 3.62,1181 3.583,1182 6.351,1183 3.566,1184 3.695,1185 3.739,1186 3.578,1187 3.549,1188 4.929,1189 3.544,1190 3.392,1191 3.422,1192 3.307,1193 3.227,1194 4.802,1195 3.238,1196 3.214,1197 3.289,1198 3.114,1199 2.979,1200 4.625,1201 3,1202 3.027,1203 3.067,1204 2.902,1205 2.834,1206 4.249,1207 2.844,1208 0.141,1209 0.131,1210 0.198,1211 0.126,1212 0.097,1213 4.648,1214 0.134,1215 4.314,1216 0.071,1217 6.518,1218 0.315,1219 4.143,1220 0.092,1221 3.196,1222 4.438,1223 2.341,1224 10.398,1225 3.041,1226 1.978,1227 1.954,1228 2.075,1229 2.063,1230 1.283,1231 2.07,1232 1.808,1233 1.79,1234 1.968,1235 1.969,1236 1.146,1237 1.99,1238 1.75,1239 1.739,1240 1.918,1241 1.882,1242 1.119,1243 1.897,1244 1.677,1245 1.641,1246 1.887,1247 1.854,1248 0.972,1249 1.885,1250 1.669,1251 1.627,1252 1.622,1253 1.821,1254 0.938,1255 1.868,1256 1.335,1257 1.301,1258 1.53,1259 1.544,1260 0.674,1261 1.533,1262 1.133,1263 1.059,1264 1.417,1265 1.411,1266 0.469,1267 1.405,1268 0.976,1269 0.934,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.205,1276 5.525,1278 6.997,1280 8.54,1282 10.125,1284 6.684,1289 8.895,1290 1.223,1291 5.485,1296 -0.497,1300 37.98,1301 101.912,1302 235.308,1303 299.611,1304 321.121,1305 323.121,1306 323.121,1307 104.382,1308 6.977,1309 120.75,1310 129.13,1311 12,1312 12.357,1313 4.17,1314 3.585,1315 76.329,1316 136,1317 144,1318 0.27,1319 244.554,1320 433.85,1321 588.472,1322 8741,1324 23.778,1325 0.743,1326 0.613,1327 24.028,1328 19.609,1329 14.927,1330 0.452,1331 0.366,1332 10.248,1333 13.663,1334 9.641,1335 8.156,1336 15.854,1337 12.094,1338 15.164,1339 0.33,1340 0.22,1341 16.547,1342 10.105,1343 8.722,1344 0.186,1345 0.099,1346 9.172,1347 4.646,1348 7.729,1349 0.125,1350 0.054,1351 8.24,1352 3.361,1353 5.671,1354 0.079,1355 0.031,1356 6.071,1357 2.199,1358 0.421,1359 102.657,1360 0.221,1361 29.848,1362 0.745,1363 158,1364 498.173,1365 204.65,1366 504.724,1367 661.05,1368 460,1369 172,1370 445.925,1371 223.262,1372 487.537,1373 683.82,1374 450,1375 7.602} {0 CHEMBL277689,1 1.682,2 14.727,3 4.852,4 23.543,5 130.333,6 8.363,7 0.514,8 4.137,9 4.228,10 3.915,11 3.77,12 5.26,13 3.714,14 4.65,15 4.787,16 4.188,17 4.14,18 5.997,19 4.057,20 4.929,21 5.118,22 4.209,23 4.279,24 6.038,25 4.158,26 4.964,27 5.158,28 4.107,29 4.236,30 6.1,31 4.117,32 4.955,33 5.164,34 4.145,35 4.227,36 6.046,37 4.105,38 4.955,39 5.176,40 4.157,41 4.232,42 6.062,43 4.1,44 4.928,45 5.158,46 3.977,47 4.176,48 5.96,49 4.043,50 4.842,51 5.059,52 3.943,53 4.073,54 5.969,55 3.96,56 0.113,57 0.782,58 12.796,59 5.782,60 23.021,61 6.642,62 0.418,63 1.243,64 21.1,65 9.577,66 78.843,67 11.627,68 0.4,69 1.568,70 37.014,71 13.791,72 76.176,73 16.295,74 0.503,75 1.599,76 37.911,77 13.757,78 96.888,79 16.147,80 0.491,81 1.596,82 35.671,83 13.039,84 90.412,85 15.924,86 0.507,87 1.61,88 36.481,89 13.528,90 77.444,91 17.302,92 0.362,93 1.538,94 34.753,95 13.334,96 67.492,97 17.134,98 0.328,99 1.376,100 30.588,101 11.774,102 61.99,103 15.09,104 31,105 47,106 0.272,107 0.597,108 0.758,109 0.861,110 0.868,111 0.868,112 3.531,113 1.061,114 -4.51,115 -4.44,116 -4.18,118 43.1,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 16,207 1,210 6,215 3,218 17,219 1,222 10,227 3,229 16,230 2,234 8,239 3,242 13,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 5,262 1,264 5,267 8,268 1,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 13.432,278 13.246,279 22.298,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 12.966,286 6.789,287 6.299,288 17.945,289 4.176,290 2.16,291 1.164,292 0.53,293 0.483,294 0.483,295 4.212,297 1,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 40.981,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71.333,326 486,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.219,363 3.555,364 2.7,365 5.128,366 3.237,367 2.232,368 2.922,370 6.124,371 2.159,372 3.53,373 2.184,374 4.73,375 3.111,376 2.124,377 2.709,379 5.184,380 2.093,381 3.086,382 1.933,383 4.659,384 2.636,385 1.671,386 2.292,388 4.759,389 1.618,390 3.046,391 1.869,392 4.148,393 2.568,394 1.609,395 2.224,397 3.814,398 1.464,399 2.721,400 1.501,401 3.564,402 2.38,403 1.4,404 1.75,406 2.947,407 1.367,408 2.5,409 1.307,410 3.526,411 2.1,412 1.133,413 1.5,415 2.52,416 1.089,417 2.5,418 1.125,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.312,436 1,437 3.282,438 1.957,439 1,440 1.274,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.832,448 0.84,449 1.074,451 1.989,452 0.829,453 1.38,454 0.696,455 2.951,456 1.2,457 0.206,458 0.227,460 0.465,461 0.203,462 16.181,463 0.49,464 0.824,465 0.025,466 43.5,467 1.318,468 24,469 0.727,470 19.5,471 0.591,472 27.382,473 0.83,474 35.419,475 0.611,476 35.189,477 1.066,478 8.495,479 0.257,480 7.353,481 0.223,482 0.127,483 0.052,484 0.216,487 0.578,488 1.166,489 0.727,490 1.087,491 0.682,492 0.905,493 0.489,494 1.076,495 0.806,496 0.991,497 0.467,498 1.018,499 0.916,500 1.043,501 1.083,502 1.079,503 0.879,504 1.022,505 1.116,506 1.082,507 1.093,508 1.088,509 1.156,510 1.082,511 0.98,512 1.007,513 0.714,514 0.856,515 1.056,516 1.003,517 0.505,518 1.023,519 0.79,520 1.022,521 0.496,522 1.039,523 0.686,524 0.988,525 0.793,526 0.964,527 0.694,528 1.008,529 0.83,530 1.06,531 0.786,532 0.969,533 0.81,534 1.039,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 55846,547 2.004,548 43.1,549 4,550 13,552 2,553 2,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.192,567 97.57,568 1.682,569 3.698,570 4.694,571 5.328,572 5.375,573 5.375,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 339.763,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.17,600 0.75,601 1.33,602 179.449,603 0.038,604 -0.033,605 0.123,606 -0.018,607 -0.113,608 0.042,609 0.255,610 0.004,612 -0.021,613 0.26,614 -0.076,615 -0.092,616 -0.034,617 -0.081,618 -0.032,619 -0.052,620 -0.021,621 -0.159,622 -0.086,623 -0.161,624 -0.088,625 -0.137,626 -0.102,627 -0.114,628 -0.016,629 0.034,630 0.052,631 -0.139,632 -0.036,633 0.151,634 -0.031,635 0.071,636 -0.067,637 0.117,638 -0.031,639 -0.001,640 -0.031,641 0.01,642 -0.03,643 0.006,644 0.005,645 -0.018,646 -0.123,647 0.007,648 -0.081,649 0.004,650 -0.048,651 4.507,652 5.397,653 0.545,654 41.971,655 1.009,656 1.115,657 3.284,658 10.783,659 0.698,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.659,672 485.04,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 3.4,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 58,726 22,727 2,728 35,730 60,731 25,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 4,753 20,754 5,756 4,760 1,761 3,763 1,765 2,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 5,847 1,861 1,862 6.9,864 1,865 3,869 17.583,870 10.043,871 7.347,872 3.4,874 2.924,875 1.4,876 0.961,877 8.929,878 10.227,879 3.892,880 4.472,881 4.929,882 5.407,883 5.91,884 6.058,885 6.313,886 6.462,887 6.692,888 6.97,889 0.9,890 47,891 12.409,893 5.415,894 8.006,895 22.987,897 18.65,899 2.506,900 82.694,904 270.735,905 159.088,906 33.191,907 39.149,908 112.141,910 5.807,911 153.281,912 422.025,913 33.191,915 12.244,916 126.451,917 153.379,918 35.888,920 247.193,921 39.149,922 270.735,923 186.471,924 112.141,925 44.956,927 247.193,928 135.683,931 46.744,932 113.466,933 71.218,935 270.735,936 145.332,937 198.237,939 5.807,940 270.735,941 30.947,942 122.334,943 16.405,944 168.075,945 270.735,946 145.332,947 198.237,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.183,956 11,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 24.817,969 11.873,970 7.623,972 145.332,973 21.26,974 4.191,978 3.598,980 59.088,981 614.304,982 48,986 -3.59,987 35.579,989 2.037,991 0.186,994 58.516,995 64.681,996 0.287,997 0.631,998 0.801,999 0.909,1000 0.918,1001 0.918,1002 5.103,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.159,1008 2.258,1009 6.691,1010 4.481,1011 6.322,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.647,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.406,1026 3.628,1027 10.837,1028 6.003,1029 9.018,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.376,1038 10.427,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 10.012,1044 5.201,1045 15.497,1046 7.839,1047 11.866,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.598,1056 13.328,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.823,1062 6.849,1063 20.369,1064 9.849,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.793,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.75,1080 8.526,1081 25.322,1082 11.956,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 10.216,1099 30.309,1100 14.116,1101 2.232,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 11.051,1108 32.808,1109 15.189,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 11.912,1117 35.314,1118 16.304,1119 1.671,1120 5.184,1121 29.988,1122 2.922,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.397,1128 16206,1129 30014,1130 22.94,1131 40.472,1132 51.442,1133 53.025,1134 52.276,1135 51.338,1136 51.047,1137 69.004,1138 4.682,1139 140.992,1140 49.163,1141 5.744,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.959,1151 1.47,1152 1.515,1153 1.494,1154 1.467,1155 1.458,1156 1.972,1157 0.134,1158 4.028,1159 1.405,1160 4.084,1161 4.077,1162 4.736,1163 4.068,1164 7.717,1165 3.993,1166 3.992,1167 4.002,1168 3.954,1169 3.95,1170 7.474,1171 3.93,1172 3.819,1173 3.857,1174 3.923,1175 3.737,1176 6.999,1177 3.734,1178 3.698,1179 3.742,1180 3.747,1181 3.58,1182 6.351,1183 3.55,1184 3.65,1185 3.659,1186 3.58,1187 3.548,1188 4.937,1189 3.507,1190 3.423,1191 3.442,1192 3.348,1193 3.292,1194 4.913,1195 3.283,1196 3.271,1197 3.305,1198 3.19,1199 3.1,1200 4.719,1201 3.09,1202 2.999,1203 3.039,1204 3.116,1205 2.806,1206 4.27,1207 2.815,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.093,1229 2.067,1230 1.3,1231 2.087,1232 1.949,1233 1.951,1234 1.965,1235 2.011,1236 1.234,1237 2.046,1238 1.812,1239 1.777,1240 1.946,1241 1.921,1242 1.146,1243 1.933,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.027,1249 1.868,1250 1.54,1251 1.53,1252 1.699,1253 1.714,1254 0.866,1255 1.738,1256 1.352,1257 1.338,1258 1.51,1259 1.538,1260 0.667,1261 1.538,1262 1.212,1263 1.182,1264 1.21,1265 1.397,1266 0.52,1267 1.433,1268 0.947,1269 0.906,1270 1.181,1271 1.181,1272 0.325,1273 1.181,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1285 5.822,1289 8.861,1290 2.139,1291 2.611,1300 38.238,1301 97.57,1302 214.464,1303 272.279,1304 309.008,1305 311.763,1306 311.763,1307 88.734,1308 7.302,1309 96.36,1310 104.74,1311 18,1312 12.417,1313 4.524,1314 3.807,1315 64.462,1316 172,1317 168,1318 0.18,1319 245.235,1320 433.12,1321 590.133,1322 15053,1323 1.7,1324 23.684,1325 0.718,1326 0.591,1327 24.434,1328 19.519,1329 15.848,1330 0.453,1331 0.354,1332 10.586,1333 14.351,1334 10.206,1335 8.464,1336 16.958,1337 12.38,1338 14.359,1339 0.306,1340 0.205,1341 16.09,1342 9.647,1343 10.876,1344 0.194,1345 0.12,1346 12.272,1347 6.739,1348 8.348,1349 0.126,1350 0.068,1351 9.37,1352 4.46,1353 6.556,1354 0.082,1355 0.04,1356 7.514,1357 3.193,1358 0.293,1359 109.557,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 518.398,1365 227.911,1366 554.304,1367 723.74,1368 508,1369 185,1370 460.182,1371 247.974,1372 514.129,1373 736.56,1374 482,1375 8.398} {0 CHEMBL278458,1 1.51,2 13.205,3 5.815,4 33.818,5 148.954,6 6.797,7 0.268,8 4.449,9 4.568,10 3.917,11 3.899,12 5.517,13 3.873,14 5.036,15 5.217,16 4.273,17 4.288,18 6.152,19 4.24,20 5.324,21 5.532,22 4.355,23 4.454,24 6.296,25 4.377,26 5.472,27 5.709,28 4.398,29 4.509,30 6.454,31 4.43,32 5.416,33 5.634,34 4.434,35 4.567,36 6.373,37 4.485,38 5.572,39 5.812,40 4.457,41 4.617,42 6.528,43 4.521,44 5.566,45 5.8,46 4.423,47 4.6,48 6.595,49 4.503,50 5.502,51 5.744,52 4.332,53 4.606,54 6.366,55 4.48,56 0.15,57 1.085,58 18.592,59 7.792,60 18.856,61 10.504,62 0.616,63 1.692,64 35.508,65 12.637,66 91.842,67 17.637,68 0.866,69 2.057,70 48.507,71 16.072,72 83.046,73 22.8,74 1.204,75 2.24,76 57.801,77 17.195,78 126.198,79 25.032,80 0.651,81 2.357,82 52.571,83 17.222,84 85.691,85 25.158,86 1.1,87 2.545,88 63.116,89 19.07,90 127.435,91 28.238,92 1.572,93 2.468,94 63.756,95 18.798,96 181.498,97 27.439,98 0.692,99 2.481,100 57.526,101 19.118,102 90.266,103 28.232,104 91,105 56,106 0.232,107 0.559,108 0.795,109 0.869,110 0.88,111 0.88,112 3.693,113 1.002,114 -5.08,115 -4.97,116 -4.66,118 36.3,119 4,120 7,121 1,124 2,126 1,127 1,129 1,133 2,140 3,141 1,142 2,143 1,150 1,154 1,156 1,162 2,163 1,167 1,168 13,169 1,171 3,172 8,175 1,177 1,180 12,181 1,185 4,186 15,191 1,194 7,195 1,197 3,198 14,203 1,206 5,207 1,209 1,210 18,215 1,218 8,219 1,221 4,222 19,227 1,229 6,230 1,233 5,234 13,239 1,242 8,247 11,248 2,255 11,258 3,259 11,260 1,262 2,267 13,270 3688,271 25.706,272 25.706,273 25.706,274 25.706,275 25.706,276 23.561,277 29.269,278 15.597,279 26.134,280 20.225,281 20.225,282 20.225,283 20.225,284 20.225,285 17.063,286 33.245,287 7.393,288 20.956,289 4.812,290 2.68,291 1.144,292 0.663,293 0.588,294 0.588,295 4.37,300 1,301 1052,302 5.196,305 114.621,306 295.314,313 2.118,314 52.277,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 86.5,326 515,327 4.502,328 3.856,329 7.32,330 4.371,331 3.419,332 4.149,333 2.612,334 12.578,335 3.248,336 4.374,337 3.758,338 6.687,339 4.051,340 3.101,341 3.915,342 2.341,343 10.827,344 2.943,345 4.265,346 3.597,347 6.414,348 3.912,349 2.943,350 3.384,351 1.465,352 9.778,353 2.849,354 3.679,355 3.396,356 5.781,357 3.469,358 2.522,359 3.137,360 0.86,361 7.86,362 2.386,363 3.66,364 2.86,365 5.058,366 3.238,367 2.233,368 2.767,369 0.811,370 5.858,371 2.219,372 3.555,373 2.68,374 4.961,375 3.172,376 2.181,377 2.711,379 5.521,380 2.158,381 3.327,382 2.406,383 4.698,384 2.872,385 1.919,386 2.574,388 5.185,389 1.821,390 3.122,391 2.192,392 4.657,393 2.81,394 1.824,395 2.178,397 4.835,398 1.797,399 2.859,400 2.141,401 4.627,402 2.683,403 1.703,404 1.894,406 4.557,407 1.662,408 2.674,409 1.905,410 3.911,411 2.515,412 1.558,413 1.696,415 3.441,416 1.488,417 2.623,418 1.758,419 3.664,420 2.438,421 1.455,422 1.608,424 3.151,425 1.42,426 2.59,427 1.444,428 3.625,429 2.222,430 1.287,431 1.599,433 2.814,434 1.198,435 2.582,436 1.374,437 3.613,438 2,439 1,440 1.584,442 2.423,443 1,444 2.052,445 1.321,446 3.416,447 1.868,448 0.903,449 0.99,451 2.071,452 0.869,453 2.02,454 1.034,455 3.287,456 1.782,457 0.836,458 0.974,460 1.68,461 0.78,462 18.033,463 0.462,464 1.054,465 0.027,466 40.5,467 1.038,468 16,469 0.41,470 24.5,471 0.628,472 48.103,473 1.233,474 46.167,475 0.577,476 35.728,477 0.916,478 7.442,479 0.191,480 11.176,481 0.287,482 0.185,483 0.028,484 0.266,487 0.675,488 1.46,489 0.865,490 1.334,491 0.628,492 1.169,493 0.782,494 1.185,495 0.885,496 1.147,497 0.426,498 1.049,499 0.981,500 1.145,501 1.005,502 1.143,503 0.688,504 1.091,505 1.186,506 0.919,507 0.964,508 0.867,509 0.751,510 0.871,511 0.942,512 1.2,513 1.016,514 1.15,515 0.668,516 1.096,517 1.046,518 1.02,519 1.029,520 1.017,521 0.867,522 1.013,523 1.19,524 0.901,525 1.093,526 0.887,527 1.066,528 0.958,529 0.842,530 1.162,531 1.052,532 1.165,533 0.602,534 1.147,535 8.5,536 0.409,537 4.667,538 2.625,539 2.432,540 1.778,541 1.055,542 0.761,543 0.606,544 0.453,545 21812,546 60252,547 1.96,548 51.3,549 16,550 10,551 1,552 2,553 1,554 2,555 8,556 1,558 1.801,559 1.807,560 3.662,561 -0.358,567 120.807,568 1.51,569 3.642,570 5.178,571 5.659,572 5.734,573 5.734,574 3.1,575 5.01,576 5.246,577 3.916,578 2901.88,579 9.302,580 50165.3,585 505.754,586 1.602,587 5.192,588 0.207,589 0.008,590 0.083,591 0.045,592 0.04,593 0.028,594 0.017,595 0.012,596 0.011,597 0.008,598 0.459,599 0.17,600 0.75,601 1.904,602 218.216,603 0.077,604 -0.124,605 0.054,606 -0.073,607 -0.02,608 -0.029,609 0.146,610 -0.032,611 0.08,612 -0.034,613 0.226,614 0.005,615 0.04,616 -0.091,617 -0.02,618 -0.093,619 -0.006,620 -0.073,621 -0.048,622 0.055,623 0.051,624 0.105,625 0.017,626 0.099,627 -0.069,628 -0.101,629 -0.052,630 -0.105,631 -0.005,632 -0.076,633 -0.05,634 -0.002,635 -0.037,636 -0.039,637 -0.048,638 -0.034,639 -0.036,640 0.086,641 -0.076,642 0.081,643 -0.047,644 0.007,645 -0.072,646 -0.116,647 -0.105,648 -0.135,649 -0.049,650 -0.125,651 2.493,652 4.65,653 0.436,654 55.149,655 1.005,656 1.136,657 3.846,658 14.793,659 0.621,660 3.738,661 4.043,662 4.248,663 4.489,664 4.7,665 4.82,666 4.942,667 4.99,668 5.1,669 5.204,670 8.302,671 0.588,672 543.73,673 3.738,674 5.273,675 6.098,676 6.973,677 7.83,678 8.716,679 9.59,680 10.483,681 11.366,682 12.263,683 3.8,691 1,693 1,694 1,699 5,700 1,704 4,705 1,706 11,718 1,722 1,724 80,726 15,727 1,728 41,730 82,731 29,733 9,734 3,735 3,739 3,740 3,745 4,748 1,749 1,751 8,753 12,754 17,755 2,756 4,759 1,761 3,763 2,765 1,772 41,773 8,774 1,775 10,778 1,779 3,784 1,785 7,801 1,802 2,818 1,822 2,830 1,831 2,832 3,836 4,840 39,845 1,846 9,848 3,850 3,852 1,862 8.8,864 1,865 1,866 2,867 1,868 2,869 21.583,870 15.133,871 8.764,872 5.163,874 2.081,875 1.265,876 0.894,877 11.679,878 9.942,879 3.942,880 4.44,881 4.833,882 5.307,883 5.663,884 5.824,885 6.049,886 6.118,887 6.298,888 6.573,889 0.889,890 58,891 14.57,893 6.137,894 7.9,895 27.629,897 22.309,899 2.4,900 93.583,904 470.844,905 140,906 24.355,908 151.575,911 140,912 622.419,913 24.355,914 40.971,915 24.44,916 47.741,917 139.684,918 33.132,919 14.528,920 435.531,921 50.747,922 470.844,923 164.354,924 151.575,927 364.904,928 184.768,929 72.747,930 0.36,931 79.306,932 43.281,933 41.408,935 470.844,936 175.93,937 140,940 471.204,941 39.292,942 107.917,944 168.36,945 470.844,946 175.93,947 140,949 0.572,950 0.314,951 0.164,952 0.092,953 22,954 12,955 0.183,956 15,958 1,959 4.689,960 369.237,962 17,963 200.131,968 30.963,969 14.711,970 8.972,972 168.36,973 8.513,974 4.407,978 1.762,979 2.128,980 42.683,981 786.773,982 50.5,985 -0.451,987 34.14,989 3.857,991 -0.826,994 80.385,995 90.85,996 0.239,997 0.576,998 0.819,999 0.895,1000 0.907,1001 0.907,1002 5.192,1003 1.824,1004 6.103,1005 5.185,1006 4.727,1007 5.127,1008 3.327,1009 6.932,1010 4.651,1011 6.377,1012 1.703,1013 7.68,1014 4.835,1015 4.443,1016 4.987,1017 2.946,1018 8.091,1019 4.322,1020 7.68,1021 1.558,1022 9.376,1023 4.557,1024 6.365,1025 7.189,1026 4.714,1027 11.148,1028 6.2,1029 9.019,1030 1.455,1031 11.148,1032 3.441,1033 6.919,1034 7.87,1035 5.015,1036 13.16,1037 6.696,1038 10.391,1039 1.287,1040 12.969,1041 3.151,1042 8.353,1043 9.586,1044 6.371,1045 15.81,1046 8.087,1047 11.788,1048 1,1049 14.825,1050 2.814,1051 9.274,1052 10.636,1053 6.969,1054 18.127,1055 8.948,1056 13.202,1057 0.903,1058 16.707,1059 2.423,1060 10.539,1061 12.167,1062 8.135,1063 20.663,1064 10.168,1065 3.419,1066 0.836,1067 18.607,1068 2.071,1069 11.619,1070 13.393,1071 8.883,1072 23.093,1073 11.188,1074 3.101,1075 12.578,1076 20.521,1077 1.68,1078 12.829,1079 14.849,1080 9.951,1081 25.602,1082 12.351,1083 2.943,1084 10.827,1085 22.447,1086 4.149,1087 13.976,1088 16.16,1089 10.78,1090 28.078,1091 13.441,1092 2.522,1093 9.778,1094 24.381,1095 3.915,1096 15.173,1097 17.586,1098 11.796,1099 30.584,1100 14.588,1101 2.233,1102 7.86,1103 26.322,1104 3.384,1105 16.35,1106 18.941,1107 12.672,1108 33.081,1109 15.71,1110 2.181,1111 5.858,1112 28.269,1113 3.137,1114 17.548,1115 20.354,1116 13.659,1117 35.591,1118 16.856,1119 1.919,1120 5.521,1121 30.22,1122 2.767,1123 18.74,1124 21.732,1125 14.565,1126 38.1,1127 17.994,1128 21954,1129 36767,1130 26.235,1131 49.665,1132 60.755,1133 62.628,1134 62.605,1135 60.058,1136 60.057,1137 72.886,1138 16.179,1139 170.221,1140 57.841,1141 5.502,1142 5.856,1143 7.256,1144 5.457,1145 5.419,1146 7.149,1147 4.612,1148 20.1,1149 5.248,1150 24.796,1151 1.482,1152 1.528,1153 1.527,1154 1.465,1155 1.465,1156 1.778,1157 0.395,1158 4.152,1159 1.411,1160 4.049,1161 4.087,1162 3.999,1163 3.899,1164 7.815,1165 3.913,1166 3.979,1167 4.011,1168 3.935,1169 3.831,1170 7.474,1171 3.846,1172 3.797,1173 3.842,1174 3.698,1175 3.654,1176 6.999,1177 3.652,1178 3.718,1179 3.771,1180 3.607,1181 3.575,1182 6.351,1183 3.567,1184 3.686,1185 3.737,1186 3.527,1187 3.527,1188 4.969,1189 3.528,1190 3.557,1191 3.604,1192 3.476,1193 3.39,1194 4.844,1195 3.39,1196 3.516,1197 3.546,1198 3.43,1199 3.198,1200 4.695,1201 3.193,1202 3.364,1203 3.444,1204 3.215,1205 3.123,1206 4.392,1207 3.178,1208 0.11,1209 0.094,1210 0.179,1211 0.107,1212 0.083,1213 4.502,1214 0.101,1215 3.856,1216 0.064,1217 7.32,1218 0.307,1219 4.371,1220 0.079,1221 3.419,1222 4.149,1223 2.612,1224 12.578,1225 3.248,1226 1.931,1227 1.911,1228 2.043,1229 2.098,1230 1.38,1231 2.064,1232 1.854,1233 1.817,1234 2.029,1235 2.026,1236 1.338,1237 2.021,1238 1.77,1239 1.709,1240 2.005,1241 1.941,1242 1.161,1243 1.965,1244 1.686,1245 1.646,1246 1.897,1247 1.869,1248 1.132,1249 1.878,1250 1.602,1251 1.549,1252 1.837,1253 1.796,1254 1.08,1255 1.811,1256 1.517,1257 1.449,1258 1.787,1259 1.732,1260 1.057,1261 1.749,1262 1.339,1263 1.29,1264 1.561,1265 1.7,1266 0.77,1267 1.619,1268 1.286,1269 1.241,1270 1.528,1271 1.55,1272 0.649,1273 1.549,1274 4.419,1276 5.727,1277 2.398,1278 7.216,1279 4.595,1280 8.801,1281 6.581,1282 10.446,1284 7.572,1289 8.903,1290 6.908,1292 18.879,1294 -1.172,1296 -1.035,1300 47.077,1301 120.807,1302 291.373,1303 414.205,1304 452.735,1305 458.735,1306 458.735,1307 131.92,1308 7.861,1309 128.63,1310 128.63,1311 17,1312 12.791,1313 4,1314 3.392,1315 83.268,1316 182,1317 231,1318 0.21,1319 291.706,1320 524.79,1321 703.522,1322 28575,1324 28.416,1325 0.729,1326 0.599,1327 28.416,1328 23.376,1329 18.618,1330 0.454,1331 0.334,1332 13.487,1333 17.707,1334 13.075,1335 10.937,1336 18.618,1337 13.699,1338 16.949,1339 0.303,1340 0.19,1341 16.949,1342 10.628,1343 12.661,1344 0.183,1345 0.099,1346 12.661,1347 6.831,1348 10.217,1349 0.116,1350 0.053,1351 10.217,1352 4.697,1353 8.128,1354 0.075,1355 0.029,1356 8.128,1357 3.215,1358 0.33,1359 118.324,1360 0.195,1361 35.17,1362 0.581,1363 194,1364 631.498,1365 221.306,1366 585.347,1367 769.96,1368 542,1369 222,1370 550.586,1371 249.951,1372 543.354,1373 789.66,1374 506,1375 6.31} {0 CHEMBL278714,1 1.591,2 12.853,3 3.574,4 12.775,5 125.879,6 7.286,7 0.306,8 4.265,9 4.372,10 3.793,11 3.702,12 5.407,13 3.7,14 4.833,15 4.997,16 4.173,17 4.09,18 6.047,19 4.077,20 5.095,21 5.263,22 4.25,23 4.262,24 6.176,25 4.219,26 5.29,27 5.511,28 4.268,29 4.314,30 6.349,31 4.26,32 5.203,33 5.402,34 4.285,35 4.363,36 6.23,37 4.302,38 5.375,39 5.606,40 4.283,41 4.406,42 6.394,43 4.321,44 5.353,45 5.585,46 4.204,47 4.338,48 6.456,49 4.252,50 5.196,51 5.434,52 4.041,53 4.285,54 6.126,55 4.168,56 0.201,57 0.894,58 14.057,59 6.091,60 18.997,61 7.909,62 0.704,63 1.378,64 27.769,65 9.844,66 93.652,67 13.198,68 0.912,69 1.664,70 36.89,71 12.771,72 78.257,73 17.027,74 1.351,75 1.838,76 48.46,77 14.087,78 131.079,79 19.763,80 0.768,81 1.901,82 41.323,83 13.865,84 82.526,85 19.391,86 1.186,87 2.064,88 51.742,89 15.645,90 127.936,91 22.598,92 1.678,93 1.919,94 52.527,95 14.803,96 188.842,97 21.196,98 0.732,99 1.824,100 42.183,101 13.748,102 83.189,103 20.175,104 74,105 51,106 0.254,107 0.615,108 0.827,109 0.867,110 0.871,111 0.871,112 3.561,113 0.927,114 -4.07,115 -4.02,116 -3.8,118 36.9,119 3,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 3,141 1,142 2,143 1,150 1,154 1,156 1,162 2,163 1,167 1,168 9,169 1,171 3,172 7,175 1,177 1,180 9,181 1,185 4,186 14,191 1,194 5,195 1,197 3,198 12,203 1,206 4,207 1,209 1,210 15,215 1,218 7,219 1,221 4,222 16,227 1,229 4,230 1,233 5,234 10,239 1,242 5,247 7,248 2,255 5,258 3,259 8,260 1,262 2,267 6,270 2228,271 22.007,272 22.007,273 22.007,274 22.007,275 22.007,276 19.81,277 27.687,278 12.941,279 22.435,280 17.749,281 17.749,282 17.749,283 17.749,284 17.749,285 14.575,286 33.245,287 6.138,288 18.468,289 4.431,290 2.172,291 0.851,292 0.6,293 0.57,294 0.57,295 4.234,299 1,300 1,301 901,302 4.69,305 94.986,306 257.956,313 2.197,314 49.5,317 1,318 0.5,319 0.83,320 1,321 1,322 1,323 1,324 0.9,325 76.5,326 437,327 4.501,328 3.855,329 7.32,330 4.371,331 3.419,332 4.149,333 2.612,334 12.577,335 3.248,336 4.361,337 3.758,338 6.66,339 4.036,340 3.085,341 3.891,342 2.341,343 10.691,344 2.932,345 4.255,346 3.597,347 6.414,348 3.91,349 2.941,350 3.383,351 1.465,352 9.775,353 2.848,354 3.674,355 3.387,356 5.689,357 3.422,358 2.476,359 3.137,360 0.86,361 7.49,362 2.341,363 3.645,364 2.848,365 5.058,366 3.238,367 2.233,368 2.759,369 0.811,370 5.857,371 2.218,372 3.554,373 2.644,374 4.961,375 3.172,376 2.181,377 2.709,379 5.521,380 2.158,381 3.327,382 2.397,383 4.669,384 2.872,385 1.919,386 2.573,388 5.184,389 1.819,390 3.115,391 2.187,392 4.656,393 2.693,394 1.72,395 2.17,397 4.721,398 1.668,399 2.691,400 2.082,401 4.511,402 2.5,403 1.545,404 1.717,406 4.266,407 1.477,408 2.623,409 1.9,410 3.736,411 2.407,412 1.443,413 1.607,415 3.151,416 1.373,417 2.59,418 1.399,419 3.626,420 2.047,421 1.135,422 1.585,424 2.583,425 1.034,426 2.558,427 1.353,428 3.613,429 2,430 1,431 1.581,433 2.423,434 1,435 2.05,436 1.226,437 3.393,438 1.782,439 0.837,440 0.974,442 2.064,443 0.78,444 1.918,445 1.034,446 3.287,447 1.694,448 0.743,449 0.827,451 1.645,452 0.705,453 1.469,454 1,455 3.022,456 1.159,457 0.228,458 0.268,460 0.572,461 0.209,462 15.533,463 0.457,464 1.092,465 0.032,466 38,467 1.118,468 16,469 0.471,470 22,471 0.647,472 36.745,473 1.081,474 39.667,475 0.61,476 33.437,477 0.983,478 7.48,479 0.22,480 8.6,481 0.253,482 0.215,483 0.032,484 0.309,487 0.686,488 1.451,489 0.791,490 1.302,491 0.639,492 1.111,493 0.819,494 1.074,495 0.814,496 1.039,497 0.438,498 0.936,499 1.038,500 1.223,501 1.077,502 1.252,503 0.74,504 1.193,505 1.204,506 0.888,507 0.998,508 0.861,509 0.765,510 0.88,511 0.955,512 1.196,513 1.033,514 1.178,515 0.683,516 1.128,517 0.977,518 1.022,519 1.035,520 1.059,521 0.859,522 1.059,523 1.146,524 0.833,525 1.077,526 0.828,527 1.083,528 0.923,529 0.789,530 1.178,531 1.063,532 1.196,533 0.634,534 1.19,535 8.5,536 0.355,537 4.667,538 2.625,539 2.307,540 1.698,541 0.979,542 0.615,543 0.493,544 0.387,545 15217,546 48457,547 1.954,548 47.7,549 7,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.764,559 1.782,560 3.582,561 -0.304,563 1,567 103.428,568 1.591,569 3.85,570 5.172,571 5.422,572 5.453,573 5.453,574 3.09,575 4.572,576 5.051,577 3.817,578 2141.13,579 8.888,580 32867.7,585 391.454,586 1.681,587 4.982,588 0.236,589 0.009,590 0.092,591 0.05,592 0.044,593 0.031,594 0.019,595 0.013,596 0.012,597 0.009,598 0.514,599 0.33,600 0.88,601 1.629,602 182.143,603 0.058,604 -0.147,605 0.056,606 -0.087,607 -0.041,608 -0.034,609 0.117,610 0.063,611 0.117,612 0.047,613 0.22,614 0.082,615 -0.007,616 -0.153,617 -0.125,618 -0.18,619 -0.047,620 -0.184,621 -0.087,622 0.06,623 0.014,624 0.106,625 -0.004,626 0.088,627 -0.096,628 -0.118,629 -0.097,630 -0.131,631 -0.018,632 -0.114,633 -0.049,634 -0.033,635 -0.058,636 -0.081,637 -0.054,638 -0.073,639 -0.039,640 0.094,641 -0.059,642 0.119,643 -0.059,644 0.039,645 -0.069,646 -0.153,647 -0.131,648 -0.179,649 -0.065,650 -0.169,651 2.499,652 4.523,653 0.5,654 41.149,655 1.015,656 1.135,657 2.839,658 8.061,659 0.629,660 3.611,661 3.951,662 4.159,663 4.394,664 4.595,665 4.691,666 4.796,667 4.804,668 4.898,669 4.977,670 7.591,671 0.607,672 473.58,673 3.611,674 5.165,675 5.999,676 6.884,677 7.747,678 8.639,679 9.515,680 10.411,681 11.294,682 12.193,683 4.6,691 1,693 1,694 1,699 5,700 1,704 4,705 1,706 11,718 1,722 1,724 65,726 15,727 1,728 36,730 67,731 24,733 9,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,753 12,754 12,755 2,756 4,759 1,761 3,763 2,765 1,772 31,773 8,774 1,775 10,778 1,779 3,784 1,785 7,801 1,802 2,818 1,822 2,830 1,831 2,832 3,836 4,840 34,845 1,846 4,848 3,850 3,852 1,862 10.8,864 1,865 1,866 2,867 1,868 2,869 19.083,870 12.633,871 7.431,872 3.762,874 1.968,875 1.263,876 0.894,877 8.606,878 9.463,879 3.839,880 4.379,881 4.776,882 5.245,883 5.588,884 5.716,885 5.939,886 5.971,887 6.138,888 6.416,889 0.889,890 52,891 12.659,893 5.406,894 8.032,895 23.547,897 18.987,899 2.532,900 86.083,904 353.133,905 127.327,906 24.355,908 151.575,911 127.327,912 504.708,913 24.355,914 40.542,915 12.196,916 47.741,917 139.684,918 33.132,919 14.528,920 317.82,921 50.747,922 353.133,923 151.682,924 151.575,927 270.735,928 161.226,929 72.747,930 0.36,931 58.237,932 51.677,933 41.408,935 353.133,936 175.93,937 127.327,940 353.493,941 27.048,942 107.488,944 168.36,945 353.133,946 175.93,947 127.327,949 0.587,950 0.324,951 0.167,952 0.092,953 22,954 12,955 0.149,956 10,958 1,959 4.282,960 309.81,962 17,963 166.974,968 26.041,969 11.236,970 6.742,972 168.36,973 8.25,974 4.207,978 1.664,979 1.882,980 42.683,981 656.39,982 45.5,985 -0.466,987 33.758,989 3.797,991 -0.833,994 65.967,995 73.774,996 0.264,997 0.639,998 0.859,999 0.9,1000 0.905,1001 0.905,1002 5.104,1003 1.72,1004 6.028,1005 5.184,1006 4.635,1007 5.066,1008 3.327,1009 6.878,1010 4.553,1011 6.316,1012 1.545,1013 7.624,1014 4.721,1015 4.443,1016 4.987,1017 2.946,1018 8.069,1019 4.322,1020 7.634,1021 1.443,1022 9.334,1023 4.266,1024 6.304,1025 7.16,1026 4.714,1027 11.115,1028 6.135,1029 8.983,1030 1.135,1031 11.115,1032 3.151,1033 6.909,1034 7.862,1035 5.015,1036 13.133,1037 6.688,1038 10.363,1039 1,1040 12.942,1041 2.583,1042 8.316,1043 9.568,1044 6.371,1045 15.781,1046 8.049,1047 11.763,1048 0.837,1049 14.801,1050 2.423,1051 9.259,1052 10.623,1053 6.969,1054 18.1,1055 8.936,1056 13.181,1057 0.743,1058 16.685,1059 2.064,1060 10.514,1061 12.15,1062 8.135,1063 20.637,1064 10.144,1065 3.419,1066 0.228,1067 18.587,1068 1.645,1069 11.602,1070 13.375,1071 8.883,1072 23.069,1073 11.175,1074 3.085,1075 12.577,1076 20.502,1077 0.572,1078 12.809,1079 14.83,1080 9.951,1081 25.578,1082 12.333,1083 2.941,1084 10.691,1085 22.428,1086 4.149,1087 13.959,1088 16.14,1089 10.78,1090 28.055,1091 13.428,1092 2.476,1093 9.775,1094 24.363,1095 3.891,1096 15.155,1097 17.564,1098 11.796,1099 30.562,1100 14.573,1101 2.233,1102 7.49,1103 26.305,1104 3.383,1105 16.333,1106 18.918,1107 12.672,1108 33.061,1109 15.697,1110 2.181,1111 5.857,1112 28.252,1113 3.137,1114 17.53,1115 20.33,1116 13.659,1117 35.572,1118 16.843,1119 1.919,1120 5.521,1121 30.204,1122 2.759,1123 18.723,1124 21.707,1125 14.565,1126 38.082,1127 17.982,1128 15233,1129 27319,1130 22.77,1131 40.858,1132 54.748,1133 56.405,1134 56.232,1135 53.871,1136 53.886,1137 66.751,1138 16.179,1139 157.225,1140 51.693,1141 5.501,1142 5.855,1143 7.09,1144 5.456,1145 5.419,1146 7.149,1147 4.612,1148 20.095,1149 5.248,1150 22.358,1151 1.521,1152 1.567,1153 1.562,1154 1.496,1155 1.497,1156 1.854,1157 0.449,1158 4.367,1159 1.436,1160 4.039,1161 4.072,1162 3.993,1163 3.894,1164 7.815,1165 3.908,1166 3.971,1167 4.007,1168 3.925,1169 3.817,1170 7.474,1171 3.833,1172 3.781,1173 3.83,1174 3.688,1175 3.63,1176 6.999,1177 3.634,1178 3.707,1179 3.743,1180 3.605,1181 3.534,1182 6.351,1183 3.544,1184 3.559,1185 3.605,1186 3.478,1187 3.391,1188 4.976,1189 3.391,1190 3.516,1191 3.546,1192 3.432,1193 3.124,1194 4.847,1195 3.193,1196 3.322,1197 3.352,1198 3.211,1199 3.097,1200 4.696,1201 3.119,1202 3.109,1203 3.181,1204 2.937,1205 2.905,1206 4.392,1207 2.914,1208 0.125,1209 0.107,1210 0.203,1211 0.121,1212 0.095,1213 4.501,1214 0.115,1215 3.855,1216 0.073,1217 7.32,1218 0.349,1219 4.371,1220 0.09,1221 3.419,1222 4.149,1223 2.612,1224 12.577,1225 3.248,1226 1.931,1227 1.911,1228 2.036,1229 2.098,1230 1.356,1231 2.063,1232 1.846,1233 1.812,1234 2.013,1235 2.017,1236 1.161,1237 2.01,1238 1.692,1239 1.651,1240 1.898,1241 1.872,1242 1.13,1243 1.88,1244 1.607,1245 1.555,1246 1.831,1247 1.817,1248 1.075,1249 1.818,1250 1.485,1251 1.418,1252 1.729,1253 1.726,1254 0.868,1255 1.732,1256 1.316,1257 1.259,1258 1.528,1259 1.7,1260 0.658,1261 1.619,1262 1.286,1263 1.24,1264 1.521,1265 1.545,1266 0.589,1267 1.533,1268 1.202,1269 1.154,1270 1.423,1271 1.461,1272 0.516,1273 1.45,1274 4.29,1276 5.624,1277 2.398,1278 7.135,1279 4.595,1280 8.736,1281 6.555,1282 10.39,1284 7.207,1289 8.798,1290 1.538,1292 18.487,1294 -1.177,1296 -1.029,1300 39.443,1301 103.428,1302 250.251,1303 336.17,1304 352.434,1305 354.434,1306 354.434,1307 103.681,1308 7.495,1309 128.63,1310 128.63,1311 17,1312 12.719,1313 4,1314 3.392,1315 67.104,1316 152,1317 182,1318 0.214,1319 243.744,1320 438.29,1321 586.495,1322 17325,1324 24.88,1325 0.732,1326 0.584,1327 24.88,1328 19.84,1329 16.08,1330 0.447,1331 0.309,1332 10.906,1333 15.162,1334 10.534,1335 8.775,1336 16.08,1337 11.123,1338 15.317,1339 0.3,1340 0.176,1341 15.317,1342 8.985,1343 11.442,1344 0.182,1345 0.09,1346 11.442,1347 5.688,1348 9.207,1349 0.115,1350 0.048,1351 9.207,1352 3.875,1353 7.239,1354 0.074,1355 0.027,1356 7.239,1357 2.64,1358 0.336,1359 103.181,1360 0.21,1361 31.428,1362 0.59,1363 174,1364 611.498,1365 200.972,1366 565.062,1367 739.74,1368 522,1369 201,1370 527.234,1371 228.618,1372 521.082,1373 755.24,1374 483,1375 7.301} {0 CHEMBL279847,1 1.548,2 12.882,3 4.039,4 16.314,5 125.993,6 7.353,7 0.333,8 4.245,9 4.346,10 3.78,11 3.721,12 5.398,13 3.711,14 4.802,15 4.952,16 4.149,17 4.098,18 6.036,19 4.076,20 5.091,21 5.26,22 4.242,23 4.265,24 6.176,25 4.22,26 5.256,27 5.474,28 4.235,29 4.3,30 6.319,31 4.243,32 5.156,33 5.344,34 4.263,35 4.355,36 6.207,37 4.29,38 5.35,39 5.582,40 4.26,41 4.393,42 6.375,43 4.31,44 5.291,45 5.503,46 4.183,47 4.339,48 6.429,49 4.248,50 5.178,51 5.424,52 4.053,53 4.28,54 6.106,55 4.166,56 0.187,57 0.856,58 13.455,59 6.309,60 18.986,61 7.849,62 0.613,63 1.335,64 26.218,65 10.237,66 92.527,67 13.175,68 0.845,69 1.669,70 36.543,71 13.093,72 81.202,73 16.995,74 1.297,75 1.811,76 46.863,77 14.452,78 130.633,79 19.425,80 0.564,81 1.855,82 38.386,83 14.267,84 76.951,85 19.122,86 1.143,87 2.054,88 50.718,89 15.91,90 131.764,91 22.148,92 1.468,93 1.893,94 48.104,95 15.311,96 179.776,97 20.67,98 0.675,99 1.818,100 41.69,101 14.217,102 86.714,103 20.334,104 59,105 50,106 0.248,107 0.602,108 0.807,109 0.87,110 0.88,111 0.88,112 3.56,113 0.929,114 -4.12,115 -4.06,116 -3.84,118 39.1,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 2,142 2,143 2,154 1,162 2,163 1,167 1,168 11,169 1,171 2,172 10,175 1,177 1,180 11,181 1,185 3,186 15,191 1,194 7,195 1,197 3,198 13,203 1,206 7,207 1,210 16,215 1,218 12,219 1,221 3,222 15,227 1,229 9,230 1,233 5,234 10,239 1,242 11,247 6,248 2,255 10,256 1,258 2,259 10,262 2,264 1,267 11,268 1,270 2252,271 22.214,272 22.214,273 22.214,274 22.214,275 22.214,276 19.94,277 26.357,278 13.281,279 22.541,280 17.782,281 17.782,282 17.782,283 17.782,284 17.782,285 14.521,286 32.297,287 6.338,288 18.336,289 4.452,290 2.24,291 0.959,292 0.567,293 0.504,294 0.504,295 4.238,299 1,300 1,301 904,302 4.637,306 370.526,313 2.176,314 49.4,317 1,318 0.5,319 0.83,320 1,321 1,322 1,323 1,324 0.9,325 76,326 438,327 4.498,328 3.855,329 7.319,330 4.369,331 3.417,332 4.149,333 2.612,334 12.574,335 3.247,336 4.319,337 3.755,338 6.505,339 3.977,340 3.011,341 3.591,342 2.341,343 10.209,344 2.905,345 4.124,346 3.597,347 6.41,348 3.894,349 2.921,350 3.368,351 1.465,352 9.761,353 2.84,354 3.671,355 3.329,356 5.253,357 3.257,358 2.267,359 3.136,360 0.86,361 6.417,362 2.238,363 3.567,364 2.819,365 5.057,366 3.218,367 2.223,368 2.734,369 0.811,370 5.857,371 2.193,372 3.516,373 2.52,374 4.961,375 3.172,376 2.181,377 2.689,379 5.521,380 2.158,381 3.326,382 2.358,383 4.662,384 2.872,385 1.919,386 2.571,388 5.183,389 1.819,390 3.114,391 2.184,392 4.655,393 2.679,394 1.702,395 2.201,397 4.678,398 1.656,399 2.85,400 1.939,401 4.128,402 2.507,403 1.55,404 1.93,406 3.65,407 1.483,408 2.624,409 1.861,410 3.638,411 2.438,412 1.456,413 1.609,415 3.137,416 1.419,417 2.59,418 1.412,419 3.613,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.361,428 3.48,429 1.958,430 1,431 1.5,433 2.423,434 0.955,435 2.17,436 1.216,437 3.287,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.919,445 1,446 3.247,447 1.773,448 0.78,449 0.833,451 1.673,452 0.769,453 1.47,454 1,455 3.022,456 1.16,457 0.229,458 0.269,460 0.574,461 0.21,462 15.633,463 0.46,464 1.002,465 0.029,466 39.25,467 1.154,468 18,469 0.529,470 21.25,471 0.625,472 35.336,473 1.039,474 38.967,475 0.609,476 33.965,477 0.999,478 7.73,479 0.227,480 8.44,481 0.248,482 0.181,483 0.032,484 0.281,487 0.662,488 1.275,489 0.784,490 1.214,491 0.638,492 1.064,493 0.791,494 1.146,495 0.836,496 1.112,497 0.445,498 1.005,499 1.053,500 1.198,501 1.064,502 1.205,503 0.734,504 1.153,505 1.224,506 0.81,507 0.993,508 0.801,509 0.773,510 0.838,511 0.897,512 1.286,513 1.026,514 1.269,515 0.68,516 1.192,517 1.034,518 0.906,519 1.018,520 0.944,521 0.878,522 0.966,523 1.115,524 0.949,525 1.135,526 0.96,527 1.129,528 1.046,529 0.73,530 1.039,531 0.945,532 1.055,533 0.601,534 1.045,535 8,536 0.293,537 4.222,538 2.438,539 2.178,540 1.632,541 0.83,542 0.576,543 0.5,544 0.352,545 15410,546 49008,547 1.97,548 46.9,549 7,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.764,559 1.813,560 3.603,561 -0.334,563 1,567 99.045,568 1.548,569 3.76,570 5.041,571 5.433,572 5.496,573 5.496,574 3.131,575 4.352,576 5.051,577 3.828,578 2147.59,579 8.888,580 33126.3,585 384,586 1.627,587 4.992,588 0.222,589 0.008,590 0.084,591 0.047,592 0.042,593 0.03,594 0.016,595 0.012,596 0.012,597 0.009,598 0.482,599 0.33,600 0.88,601 1.608,602 182.404,603 0.067,604 -0.031,605 0.048,606 -0.033,607 -0.041,608 -0.01,609 0.131,610 -0.042,611 0.081,612 -0.024,613 0.216,614 0.012,615 -0.019,616 -0.158,617 -0.108,618 -0.165,619 -0.045,620 -0.161,621 -0.084,622 0.129,623 0.029,624 0.161,625 -0.003,626 0.127,627 -0.078,628 -0.222,629 -0.104,630 -0.218,631 -0.011,632 -0.175,633 -0.075,634 0.072,635 -0.026,636 0.015,637 -0.06,638 0.011,639 -0.017,641 -0.13,642 0.017,643 -0.081,644 -0.073,645 -0.031,646 -0.04,647 -0.002,648 -0.06,649 -0.029,650 -0.025,651 2.499,652 4.518,653 0.529,654 41.896,655 1.014,656 1.129,657 2.888,658 8.341,659 0.638,660 3.611,661 3.932,662 4.127,663 4.357,664 4.605,665 4.663,666 4.762,667 4.787,668 4.875,669 4.977,670 7.646,671 0.616,672 470.57,673 3.611,674 5.153,675 5.979,676 6.855,677 7.71,678 8.594,679 9.463,680 10.352,681 11.229,682 12.121,683 3.1,693 1,694 1,699 7,700 1,704 4,706 12,718 1,722 1,724 64,726 16,727 1,728 36,730 66,731 25,733 11,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,753 14,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 30,773 8,774 1,775 9,779 2,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 34,845 1,846 4,848 3,850 3,852 1,862 10.9,864 1,865 1,866 2,867 1,868 2,869 18.75,870 12.1,871 7.486,872 3.751,874 2.117,875 1.282,876 0.896,877 8.783,878 9.612,879 3.85,880 4.369,881 4.754,882 5.22,883 5.698,884 5.73,885 5.964,886 6.024,887 6.195,888 6.503,889 0.889,890 52,891 12.657,893 5.404,894 8.032,895 23.547,897 18.987,899 2.532,900 86.083,904 341.362,905 138.741,906 22.456,908 151.575,911 138.741,912 492.937,913 22.456,914 32.146,915 12.196,916 66.693,917 131.066,918 43.466,919 11.771,920 306.049,921 50.747,922 341.362,923 161.197,924 151.575,927 258.964,928 161.226,929 72.747,930 0.36,931 56.766,932 62.662,933 41.408,935 341.362,936 174.03,937 138.741,940 341.722,941 27.477,942 116.574,944 168.36,945 341.362,946 174.03,947 138.741,949 0.581,950 0.317,951 0.165,952 0.096,953 21,954 11,955 0.152,956 10,958 1,959 4.322,960 307.14,962 18,963 168.974,968 25.824,969 11.563,970 7.102,972 168.36,973 12.004,974 4.207,978 1.682,980 42.683,981 654.133,982 46,985 -0.466,987 33.742,989 3.797,991 -0.832,994 64.865,995 72.275,996 0.258,997 0.627,998 0.84,999 0.906,1000 0.916,1001 0.916,1002 5.1,1003 1.702,1004 5.994,1005 5.183,1006 4.615,1007 5.056,1008 3.327,1009 6.825,1010 4.55,1011 6.298,1012 1.55,1013 7.575,1014 4.678,1015 4.369,1016 4.89,1017 2.946,1018 7.999,1019 4.271,1020 7.604,1021 1.456,1022 9.274,1023 3.65,1024 6.263,1025 7.12,1026 4.714,1027 11.039,1028 6.123,1029 8.94,1030 1,1031 11.046,1032 3.137,1033 6.825,1034 7.711,1035 5.015,1036 13.058,1037 6.638,1038 10.307,1039 1,1040 12.868,1041 2.477,1042 8.256,1043 9.485,1044 6.371,1045 15.703,1046 8.028,1047 11.696,1048 1,1049 14.725,1050 2.423,1051 9.176,1052 10.438,1053 6.969,1054 18.027,1055 8.892,1056 13.101,1057 0.78,1058 16.608,1059 2.136,1060 10.443,1061 12.023,1062 8.135,1063 20.564,1064 10.116,1065 3.417,1066 0.229,1067 18.509,1068 1.673,1069 11.521,1070 13.17,1071 8.883,1072 23.001,1073 11.137,1074 3.011,1075 12.574,1076 20.425,1077 0.574,1078 12.734,1079 14.667,1080 9.951,1081 25.512,1082 12.302,1083 2.921,1084 10.209,1085 22.353,1086 4.149,1087 13.881,1088 15.925,1089 10.78,1090 27.994,1091 13.393,1092 2.267,1093 9.761,1094 24.29,1095 3.591,1096 15.08,1097 17.377,1098 11.796,1099 30.505,1100 14.542,1101 2.223,1102 6.417,1103 26.233,1104 3.368,1105 16.258,1106 18.701,1107 12.672,1108 33.008,1109 15.665,1110 2.181,1111 5.857,1112 28.183,1113 3.136,1114 17.458,1115 20.132,1116 13.659,1117 35.523,1118 16.812,1119 1.919,1120 5.521,1121 30.138,1122 2.734,1123 18.652,1124 21.494,1125 14.565,1126 38.038,1127 17.952,1128 15381,1129 27565,1130 23.057,1131 40.852,1132 54.183,1133 55.889,1134 55.139,1135 53.404,1136 53.419,1137 66.725,1138 16.179,1139 152.794,1140 51.696,1141 5.498,1142 5.855,1143 7.121,1144 5.448,1145 5.417,1146 7.149,1147 4.612,1148 20.08,1149 5.247,1150 20.993,1151 1.505,1152 1.552,1153 1.532,1154 1.483,1155 1.484,1156 1.853,1157 0.449,1158 4.244,1159 1.436,1160 4.028,1161 4.049,1162 3.986,1163 3.896,1164 7.815,1165 3.908,1166 3.942,1167 3.971,1168 3.88,1169 3.83,1170 7.474,1171 3.835,1172 3.761,1173 3.805,1174 3.668,1175 3.645,1176 6.999,1177 3.641,1178 3.705,1179 3.74,1180 3.604,1181 3.54,1182 6.351,1183 3.547,1184 3.56,1185 3.605,1186 3.478,1187 3.401,1188 4.946,1189 3.399,1190 3.516,1191 3.546,1192 3.434,1193 3.126,1194 4.838,1195 3.193,1196 3.326,1197 3.354,1198 3.217,1199 3.106,1200 4.698,1201 3.129,1202 3.109,1203 3.181,1204 2.938,1205 2.905,1206 4.393,1207 2.915,1208 0.125,1209 0.107,1210 0.203,1211 0.121,1212 0.095,1213 4.498,1214 0.115,1215 3.855,1216 0.073,1217 7.319,1218 0.349,1219 4.369,1220 0.09,1221 3.417,1222 4.149,1223 2.612,1224 12.574,1225 3.247,1226 1.933,1227 1.913,1228 2.05,1229 2.099,1230 1.362,1231 2.068,1232 1.901,1233 1.872,1234 2.024,1235 2.044,1236 1.161,1237 2.035,1238 1.749,1239 1.706,1240 1.927,1241 1.895,1242 1.133,1243 1.906,1244 1.665,1245 1.627,1246 1.879,1247 1.86,1248 1.077,1249 1.863,1250 1.536,1251 1.487,1252 1.772,1253 1.732,1254 0.935,1255 1.744,1256 1.287,1257 1.243,1258 1.528,1259 1.7,1260 0.647,1261 1.619,1262 1.251,1263 1.214,1264 1.494,1265 1.506,1266 0.589,1267 1.495,1268 1.075,1269 1.016,1270 1.417,1271 1.343,1272 0.469,1273 1.364,1274 4.29,1276 5.609,1278 7.116,1280 8.713,1282 10.363,1284 5.325,1289 8.794,1290 1.548,1292 18.456,1294 -1.149,1296 -1.025,1300 39.422,1301 99.045,1302 240.668,1303 322.616,1304 347.735,1305 351.735,1306 351.735,1307 103.495,1308 7.496,1309 123.7,1310 123.7,1311 18,1312 12.652,1313 4.087,1314 3.459,1315 67.087,1316 153,1317 182,1318 0.212,1319 243.615,1320 441.95,1321 586.179,1322 17555,1324 24.717,1325 0.727,1326 0.575,1327 24.717,1328 19.548,1329 16.17,1330 0.449,1331 0.31,1332 10.964,1333 15.35,1334 10.629,1335 8.838,1336 16.17,1337 11.15,1338 15.143,1339 0.303,1340 0.177,1341 15.143,1342 8.842,1343 11.22,1344 0.184,1345 0.091,1346 11.22,1347 5.555,1348 9.012,1349 0.117,1350 0.05,1351 9.012,1352 3.817,1353 7.522,1354 0.076,1355 0.027,1356 7.522,1357 2.666,1358 0.333,1359 103.057,1360 0.208,1361 31.488,1362 0.582,1363 172,1364 599.853,1365 196.836,1366 556.189,1367 726.94,1368 514,1369 197,1370 514.417,1371 221.704,1372 508.319,1373 736.13,1374 473,1375 7.721} {0 CHEMBL280380,1 1.557,2 10.821,3 3.689,4 13.612,5 110.293,6 7.402,7 0.414,8 3.996,9 4.122,10 3.535,11 3.513,12 5.216,13 3.494,14 4.47,15 4.661,16 3.807,17 3.854,18 5.663,19 3.799,20 4.702,21 4.909,22 3.849,23 4.008,24 5.747,25 3.923,26 4.81,27 5.053,28 3.873,29 4.053,30 5.838,31 3.96,32 4.806,33 5.019,34 3.938,35 4.128,36 5.9,37 4.035,38 4.888,39 5.117,40 3.902,41 4.158,42 5.948,43 4.043,44 4.9,45 5.159,46 3.838,47 4.085,48 5.88,49 3.96,50 4.798,51 5.053,52 3.801,53 3.922,54 5.907,55 3.83,56 0.037,57 0.748,58 10.126,59 4.269,60 14.371,61 5.735,62 0.322,63 1.12,64 18.167,65 6.949,66 46.142,67 9.621,68 0.21,69 1.332,70 23.612,71 8.853,72 44.353,73 12.426,74 0.363,75 1.448,76 27.691,77 9.492,78 56.251,79 13.705,80 0.221,81 1.483,82 26.213,83 10.086,84 49.874,85 14.204,86 0.24,87 1.595,88 28.808,89 10.641,90 60.214,91 15.373,92 0.261,93 1.534,94 30.529,95 10.88,96 49.794,97 16.034,98 0.225,99 1.343,100 27.894,101 9.251,102 48.085,103 13.613,104 48,105 37,106 0.26,107 0.637,108 0.795,109 0.865,110 0.872,111 0.872,112 3.374,113 0.915,114 -3.86,115 -3.82,116 -3.63,118 41.2,120 3,123 2,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 12,169 1,171 2,172 3,175 3,177 3,180 14,181 1,186 3,191 3,194 14,195 1,197 1,198 7,201 1,203 3,206 13,207 1,210 8,215 3,218 12,219 1,222 9,227 3,229 8,230 2,234 10,237 1,239 4,242 4,243 3,247 9,248 1,252 4,255 1,256 2,258 3,259 8,262 1,264 2,265 1,268 1,270 1426,271 18.75,272 18.75,273 18.75,274 18.75,275 18.75,276 16.52,277 16.969,278 11.683,279 19.109,280 14.315,281 14.315,282 14.315,283 14.315,284 14.315,285 10.947,286 17.904,287 5.486,288 14.845,289 4.115,290 1.864,291 0.922,292 0.5,293 0.461,294 0.461,295 4.041,299 1,300 1,301 607,302 4.528,306 213.414,313 1.691,314 24.234,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 60.5,326 303,327 4.394,328 3.93,329 6.508,330 4.027,331 3.032,332 3.988,333 2.341,334 10.225,335 3.02,336 4.081,337 3.596,338 5.968,339 3.694,340 2.774,341 3.516,342 1.493,343 8.439,344 2.565,345 3.837,346 3.216,347 5.434,348 3.384,349 2.417,350 3.239,351 1.06,352 7.036,353 2.321,354 3.552,355 3.032,356 5.009,357 3.237,358 2.232,359 2.803,360 0.519,361 5.746,362 2.219,363 3.47,364 2.529,365 4.659,366 2.997,367 2.024,368 2.707,369 0.065,370 5.183,371 1.966,372 3.361,373 2.109,374 4.127,375 2.584,376 1.599,377 2.17,379 3.757,380 1.573,381 2.995,382 1.88,383 3.783,384 2.383,385 1.419,386 1.898,388 2.991,389 1.37,390 2.727,391 1.682,392 3.564,393 2.313,394 1.391,395 1.787,397 2.943,398 1.275,399 2.64,400 1.471,401 3.493,402 2.184,403 1.195,404 1.673,406 2.611,407 1.181,408 2.5,409 1.209,410 3.261,411 1.957,412 1,413 1.5,415 2.136,416 0.954,417 2.395,418 1.101,419 3.247,420 1.803,421 0.809,422 1.072,424 1.925,425 0.801,426 2.204,427 1,428 3.064,429 1.684,430 0.767,431 1.041,433 1.43,434 0.703,435 1.347,436 0.591,437 2.591,438 1.123,439 0.122,440 0.136,442 0.278,443 0.121,444 1.292,445 0.532,446 2.317,447 0.747,448 -0.185,449 -0.27,451 -0.38,452 -0.172,453 0.763,454 0.286,455 2.286,456 0.325,457 -0.674,458 -0.8,460 -1.393,461 -0.653,462 13.167,463 0.47,464 0.579,465 0.021,466 37.5,467 1.339,468 20,469 0.714,470 17.5,471 0.625,472 21.365,473 0.763,474 30.033,475 0.589,476 29.746,477 1.062,478 7.667,479 0.274,480 5.84,481 0.209,482 0.157,484 0.258,487 0.845,488 1.396,489 0.825,490 1.128,491 0.646,492 0.999,493 0.562,494 0.841,495 0.865,496 0.922,497 0.356,498 0.93,499 0.922,500 1.172,501 1.013,502 1.105,503 0.793,504 1.085,505 0.886,506 0.834,507 0.956,508 0.852,509 0.707,510 0.898,511 0.793,512 1.094,513 0.989,514 1.077,515 0.778,516 1.068,517 0.738,518 1.143,519 1.097,520 1.17,521 0.873,522 1.181,523 0.613,524 1.028,525 0.93,526 1.071,527 0.587,528 1.047,529 0.884,530 1.111,531 0.876,532 1.069,533 0.748,534 0.98,535 5,536 0.157,537 2.444,538 1.688,539 1.093,540 0.535,541 0.505,542 0.538,543 0.366,544 0.253,545 8633,546 27768,547 1.956,548 45.1,549 4,550 13,552 2,553 2,554 2,558 1.717,559 1.826,560 3.402,561 0.247,563 1,567 79.403,568 1.557,569 3.809,570 4.75,571 5.172,572 5.211,573 5.211,574 2.91,575 4.138,576 4.773,577 3.588,578 1356.11,579 8.339,580 18437.5,582 1,584 1,585 289.294,586 1.405,587 4.732,588 0.172,589 0.007,590 0.066,591 0.044,592 0.028,593 0.013,594 0.013,595 0.015,596 0.011,597 0.008,598 0.378,599 0.33,600 1,601 1.948,602 141.076,603 -0.073,604 -0.207,605 0.016,606 -0.059,607 -0.023,608 -0.019,609 0.233,610 0.271,611 0.041,612 0.093,613 0.223,614 0.047,615 -0.105,616 -0.146,617 -0.089,618 -0.076,619 -0.089,620 -0.084,621 -0.069,622 0.175,623 0.004,624 0.136,625 -0.045,626 0.091,627 -0.081,628 -0.07,629 -0.075,630 -0.038,631 -0.057,632 -0.055,633 -0.09,634 -0.119,635 -0.178,636 -0.154,637 -0.128,638 -0.175,639 0.034,640 -0.068,641 0.025,642 -0.068,643 0.012,644 -0.028,645 0.014,646 -0.166,647 0.113,648 -0.091,649 0.085,650 0.015,651 2.462,652 3.763,653 0.429,654 29.709,655 1.002,656 1.13,657 2.631,658 6.925,659 0.663,660 3.401,661 3.638,662 3.807,663 4.007,664 4.19,665 4.174,666 4.317,667 4.419,668 4.394,669 4.317,670 6.649,671 0.633,672 377.49,673 3.401,674 4.89,675 5.687,676 6.524,677 7.348,678 8.194,679 9.032,680 9.883,681 10.728,682 11.584,683 9.8,686 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 51,726 16,727 1,728 29,730 52,731 21,733 11,734 2,735 4,736 2,739 2,740 2,743 1,751 3,752 1,753 15,754 5,756 3,761 1,763 1,764 1,765 3,769 1,772 23,773 7,774 2,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,828 1,830 1,832 2,836 2,840 28,845 1,846 3,847 1,851 1,853 1,858 1,860 1,862 3.9,864 1,865 1,869 15.333,870 9.667,871 6.5,872 2.894,874 2.516,875 1.374,876 0.919,877 8.205,878 9.242,879 3.714,880 4.19,881 4.663,882 5.169,883 5.664,884 5.803,885 6.211,886 6.554,887 6.778,888 6.99,889 1,890 38,891 10.237,893 4.072,894 7.946,895 19.196,897 14.601,899 2.446,900 68.5,902 1,903 1,904 247.193,905 140.12,906 85.765,908 67.828,911 140.12,912 315.021,913 85.765,914 16.793,915 7.604,916 66.334,917 143.25,918 81.378,919 1.899,920 223.651,922 247.193,923 225.886,924 67.828,927 247.193,928 67.828,931 76.668,932 104.946,933 44.273,935 247.193,936 153.594,937 140.12,940 247.193,941 22.726,942 104.346,943 34.184,944 132.459,945 247.193,946 153.594,947 140.12,949 0.554,950 0.303,951 0.163,952 0.092,953 13,954 7,955 0.173,956 9,958 1,959 3.887,960 221.212,962 12,963 132.606,968 21.148,969 10.863,970 6.833,972 153.594,973 15.093,974 4.194,978 2.706,980 60.694,981 540.907,982 40,987 10.763,989 2.037,990 3.786,991 0.62,994 51.116,995 57.647,996 0.274,997 0.671,998 0.837,999 0.912,1000 0.919,1001 0.919,1002 4.913,1003 1.391,1004 5.631,1005 2.991,1006 4.317,1007 4.875,1008 2.785,1009 6.358,1010 4.253,1011 6.097,1012 1.195,1013 7.136,1014 2.943,1015 3.761,1016 4.425,1017 2.367,1018 7.144,1019 3.661,1020 7.37,1021 1,1022 8.748,1023 2.611,1024 5.814,1025 6.935,1026 3.876,1027 10.218,1028 5.696,1029 8.675,1030 0.809,1031 10.426,1032 2.136,1033 6.089,1034 7.284,1035 4.162,1036 11.886,1037 5.938,1038 10.009,1039 0.767,1040 12.147,1041 1.925,1042 7.598,1043 9.264,1044 5.307,1045 14.462,1046 7.435,1047 11.365,1048 0.122,1049 13.9,1050 1.43,1051 8.278,1052 10.028,1053 5.909,1054 16.495,1055 8.092,1056 12.738,1057 -0.185,1058 15.674,1059 0.278,1060 9.547,1061 11.741,1062 6.891,1063 18.898,1064 9.351,1065 3.032,1066 -0.674,1067 17.466,1068 -0.38,1069 10.431,1070 12.747,1071 7.634,1072 21.088,1073 10.224,1074 2.774,1075 10.225,1076 19.27,1077 -1.393,1078 11.593,1079 14.31,1080 8.542,1081 23.431,1082 11.379,1083 2.417,1084 8.439,1085 21.084,1086 3.988,1087 12.58,1088 15.462,1089 9.346,1090 25.69,1091 12.362,1092 2.232,1093 7.036,1094 22.907,1095 3.516,1096 13.696,1097 16.941,1098 10.222,1099 28.014,1100 13.475,1101 2.024,1102 5.746,1103 24.736,1104 3.239,1105 14.736,1106 18.182,1107 11.053,1108 30.305,1109 14.515,1110 1.599,1111 5.183,1112 26.57,1113 2.803,1114 15.835,1115 19.613,1116 11.914,1117 32.623,1118 15.614,1119 1.419,1120 3.757,1121 28.409,1122 2.707,1123 16.901,1124 20.908,1125 12.756,1126 34.929,1127 16.682,1128 8907,1129 16068,1130 18.781,1131 33.79,1132 43.207,1133 44.632,1134 43.068,1135 41.636,1136 41.561,1137 55.06,1138 10.955,1139 109.4,1140 40.134,1141 5.229,1142 5.93,1143 6.31,1144 5.063,1145 5.032,1146 6.988,1147 3.925,1148 17.031,1149 5.02,1150 15.986,1151 1.49,1152 1.539,1153 1.485,1154 1.436,1155 1.433,1156 1.899,1157 0.378,1158 3.772,1159 1.384,1160 4.01,1161 4.041,1162 3.959,1163 3.949,1164 7.474,1165 3.947,1166 3.815,1167 3.862,1168 3.755,1169 3.715,1170 6.832,1171 3.717,1172 3.696,1173 3.745,1174 3.594,1175 3.549,1176 6.351,1177 3.545,1178 3.651,1179 3.722,1180 3.571,1181 3.41,1182 4.926,1183 3.445,1184 3.383,1185 3.414,1186 3.293,1187 3.216,1188 4.776,1189 3.226,1190 3.273,1191 3.358,1192 3.17,1193 3.014,1194 4.538,1195 3.041,1196 3.051,1197 3.099,1198 2.939,1199 2.845,1200 4.235,1201 2.862,1202 2.967,1203 3.037,1204 2.843,1205 2.786,1206 4.006,1207 2.791,1208 0.152,1209 0.136,1210 0.224,1211 0.139,1212 0.105,1213 4.394,1214 0.138,1215 3.93,1216 0.081,1217 6.508,1218 0.353,1219 4.027,1220 0.104,1221 3.032,1222 3.988,1223 2.341,1224 10.225,1225 3.02,1226 1.978,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.793,1233 1.756,1234 1.926,1235 1.931,1236 1.125,1237 1.927,1238 1.678,1239 1.629,1240 1.887,1241 1.857,1242 0.946,1243 1.868,1244 1.56,1245 1.478,1246 1.792,1247 1.814,1248 0.851,1249 1.813,1250 1.329,1251 1.294,1252 1.53,1253 1.541,1254 0.673,1255 1.53,1256 1.183,1257 1.101,1258 1.417,1259 1.464,1260 0.469,1261 1.437,1262 0.984,1263 0.944,1264 1.335,1265 1.239,1266 0.362,1267 1.308,1268 0.934,1269 0.858,1270 1.218,1271 1.226,1272 0.28,1273 1.214,1274 4.078,1276 5.333,1278 6.774,1280 8.306,1282 9.888,1284 3.604,1289 8.845,1290 1.346,1291 3.141,1295 1.722,1298 8.853,1299 1.792,1300 32.278,1301 79.403,1302 194.235,1303 242.274,1304 263.784,1305 265.784,1306 265.784,1307 61.292,1308 6.726,1309 101.61,1310 101.61,1311 12,1312 12.14,1313 4.087,1314 3.585,1315 61.475,1316 107,1317 116,1318 0.272,1319 207.185,1320 368.88,1321 497.292,1322 6299,1324 20.355,1325 0.727,1326 0.57,1327 20.355,1328 15.962,1329 13.507,1330 0.466,1331 0.305,1332 8.726,1333 12.991,1334 8.447,1335 7.135,1336 13.507,1337 8.849,1338 11.561,1339 0.312,1340 0.17,1341 11.561,1342 6.281,1343 8.491,1344 0.193,1345 0.089,1346 8.491,1347 3.925,1348 6.809,1349 0.126,1350 0.048,1351 6.809,1352 2.605,1353 5.477,1354 0.084,1355 0.027,1356 5.477,1357 1.74,1358 0.424,1359 84.658,1360 0.231,1361 26.781,1362 0.756,1363 132,1364 420.799,1365 144.255,1366 415.935,1367 549.25,1368 384,1369 147,1370 387.371,1371 157.651,1372 398.874,1373 560.96,1374 370,1375 7.585} {0 CHEMBL280728,1 1.797,2 10.577,3 3.801,4 14.444,5 88.894,6 8.52,7 0.444,8 3.865,9 3.961,10 3.504,11 3.358,12 5.149,13 3.378,14 4.384,15 4.527,16 3.893,17 3.685,18 6.136,19 3.69,20 4.583,21 4.781,22 3.833,23 3.761,24 5.845,25 3.743,26 4.609,27 4.819,28 3.833,29 3.666,30 5.941,31 3.688,32 4.511,33 4.678,34 3.847,35 3.644,36 5.879,37 3.684,38 4.535,39 4.712,40 3.824,41 3.697,42 5.968,43 3.69,44 4.557,45 4.758,46 3.794,47 3.711,48 5.962,49 3.664,50 4.565,51 4.805,52 3.647,53 3.628,54 5.908,55 3.571,56 0.246,57 0.795,58 6.719,59 4.21,60 41.478,61 4.421,62 0.976,63 1.534,64 14.693,65 6.62,66 170.558,67 7.345,68 0.716,69 1.31,70 20.446,71 7.762,72 96.139,73 9.468,74 0.968,75 1.355,76 22.974,77 7.309,78 138.019,79 8.146,80 0.859,81 1.259,82 18.84,83 6.612,84 105.827,85 6.894,86 0.98,87 1.3,88 18.994,89 6.883,90 115.241,91 7.893,92 0.966,93 1.311,94 20.141,95 7.888,96 88.872,97 9.776,98 0.89,99 1.442,100 22.364,101 7.979,102 129.015,103 9.676,104 36,105 36,106 0.315,107 0.649,108 0.804,109 0.892,110 0.9,111 0.9,112 3.304,113 0.875,114 -4.52,115 -4.45,116 -4.19,118 41.9,120 3,124 1,131 1,140 6,141 3,143 2,153 1,154 1,162 1,163 1,167 1,168 10,169 1,172 6,175 1,177 1,180 9,181 1,186 9,191 1,194 6,195 1,197 1,198 10,203 1,206 5,209 1,210 7,211 1,218 7,221 1,222 3,223 1,225 1,229 8,233 1,234 2,237 1,242 9,247 1,255 7,256 2,259 3,264 2,267 4,268 3,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.423,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.117,289 3.629,290 1.727,291 0.843,292 0.343,293 0.297,294 0.297,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 49.064,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 60.5,326 275,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.024,336 4.287,337 3.999,338 6.494,339 3.947,340 2.982,341 3.669,342 2.373,343 10.157,344 2.778,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.232,358 2.235,359 2.71,361 5.184,362 2.174,363 3.252,364 2.347,365 4.601,366 2.778,367 1.837,368 2.489,370 4.714,371 1.711,372 2.806,373 1.92,374 4.097,375 2.609,376 1.655,377 1.918,379 3.696,380 1.563,381 2.788,382 1.726,383 3.709,384 2.333,385 1.372,386 1.818,388 3.224,389 1.306,390 2.574,391 1.454,392 3.498,393 2.157,394 1.185,395 1.603,397 2.629,398 1.143,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.956,412 1,413 1.441,415 2.136,416 0.953,417 1.932,418 1,419 3.041,420 1.628,421 0.673,422 0.816,424 1.556,425 0.636,426 1.234,427 0.814,428 2.73,429 1.095,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.516,444 0.744,445 0.51,446 2.288,447 0.319,448 -0.658,449 -0.876,451 -1.549,452 -0.64,453 0.625,454 0.504,455 2,456 0.185,457 -0.797,458 -1,460 -2,461 -0.7,462 11.657,463 0.448,464 0.71,465 0.027,466 31,467 1.192,468 15,469 0.577,470 16,471 0.615,472 20.194,473 0.777,474 29.743,475 0.692,476 26.166,477 1.006,478 6.558,479 0.252,480 5.818,481 0.224,482 0.131,483 0.043,484 0.214,485 3,487 0.605,488 0.959,489 0.652,490 1.091,491 0.638,492 0.966,493 0.487,494 0.806,495 0.75,496 1.077,497 0.38,498 1.06,499 0.744,500 0.919,501 0.826,502 1.032,503 0.648,504 0.996,505 1.159,506 0.987,507 1.01,508 0.874,509 1.029,510 0.855,511 1.197,512 1.013,513 1.029,514 0.936,515 0.958,516 0.91,517 0.847,518 0.825,519 1.049,520 0.981,521 0.812,522 1.077,523 0.508,524 0.973,525 0.839,526 1.11,527 0.505,528 1.144,529 0.852,530 1.06,531 1.013,532 1.108,533 0.944,534 1.134,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 30669,547 1.943,548 39.5,549 2,550 8,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.256,563 1,567 77.274,568 1.797,569 3.699,570 4.583,571 5.083,572 5.13,573 5.13,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,582 1,584 1,585 233.329,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.003,604 -0.022,605 0.01,606 0.006,607 -0.079,608 0.007,609 0.348,610 0.23,611 0.071,612 -0.03,613 0.422,614 -0.095,615 -0.056,616 -0.164,617 0.063,618 -0.059,619 -0.011,620 0.02,621 -0.198,622 -0.046,623 -0.024,624 0.062,625 -0.146,626 0.102,627 -0.225,628 -0.106,629 -0.109,630 0.017,631 -0.155,632 0.012,633 0.03,634 0.091,635 -0.153,636 -0.02,637 -0.035,638 -0.136,639 0.245,640 -0.102,641 0.076,642 -0.114,643 0.157,644 -0.119,645 0.03,646 -0.007,647 -0.011,648 -0.108,649 -0.015,650 -0.094,651 5.715,652 4.959,653 0.462,654 26.083,655 1.039,656 1.148,657 3.294,658 10.85,659 0.652,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.653,672 366.37,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 4.7,692 1,693 1,699 8,700 1,704 3,706 12,709 1,724 43,726 14,727 1,728 27,730 44,731 18,733 11,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 13,754 5,756 2,761 1,764 1,765 2,769 1,770 3,772 17,773 8,774 1,775 8,779 2,784 1,785 3,795 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7,864 1,865 1,867 1,869 14.417,870 7.529,871 5.806,872 2.506,874 2.101,875 1.321,876 0.914,877 7.024,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.038,893 4.612,894 8.503,895 17.226,897 13.378,899 3.003,900 78.083,903 1,904 188.338,905 108.131,906 36.185,908 79.047,909 44.88,911 108.131,912 267.385,913 81.066,915 12.196,916 56.857,917 111.823,918 103.151,920 164.795,921 7.76,922 188.338,923 144.317,924 123.927,927 164.795,928 147.47,931 57.45,932 70.081,933 16.786,935 233.218,936 115.232,937 108.131,940 196.097,941 25.419,942 74.952,944 160.113,945 188.338,946 160.113,947 108.131,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.182,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.775,969 9.235,970 6.367,972 160.113,973 11.126,974 3.955,978 -0.024,980 42.683,981 456.582,982 35,987 10.456,990 3.966,991 -0.67,994 44.676,995 49.381,996 0.331,997 0.682,998 0.845,999 0.937,1000 0.945,1001 0.945,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.188,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.675,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.017,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.476,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.207,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.449,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.368,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.516,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.525,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.635,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.686,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.783,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.855,1128 7498,1129 15532,1130 17.277,1131 28.04,1132 40.219,1133 40.634,1134 39.817,1135 39.768,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.36,1141 5.384,1142 6.46,1143 6.943,1144 5.236,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.024,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.384,1160 3.996,1161 4.024,1162 3.958,1163 3.921,1164 8.513,1165 3.924,1166 3.814,1167 3.852,1168 3.764,1169 3.715,1170 7.999,1171 3.719,1172 3.728,1173 3.776,1174 3.601,1175 3.569,1176 7.999,1177 3.564,1178 3.434,1179 3.463,1180 3.397,1181 3.169,1182 7.474,1183 3.206,1184 3.332,1185 3.37,1186 3.283,1187 3.079,1188 6.351,1189 3.109,1190 3.144,1191 3.192,1192 3.069,1193 2.931,1194 5.004,1195 2.955,1196 2.873,1197 2.92,1198 2.703,1199 2.634,1200 4.797,1201 2.621,1202 2.774,1203 2.854,1204 2.628,1205 2.546,1206 4.624,1207 2.582,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.2,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.024,1226 1.952,1227 1.929,1228 2.036,1229 2.046,1230 1.276,1231 2.042,1232 1.788,1233 1.754,1234 1.948,1235 1.913,1236 1.146,1237 1.915,1238 1.704,1239 1.653,1240 1.902,1241 1.894,1242 0.939,1243 1.905,1244 1.309,1245 1.273,1246 1.555,1247 1.61,1248 0.77,1249 1.578,1250 1.178,1251 1.143,1252 1.291,1253 1.457,1254 0.377,1255 1.378,1256 1.039,1257 0.994,1258 1.204,1259 1.305,1260 0.258,1261 1.266,1262 0.778,1263 0.716,1264 1.089,1265 1.12,1266 0.21,1267 1.114,1268 0.758,1269 0.708,1270 1.052,1271 0.989,1272 0.113,1273 1.014,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.877,1289 8.58,1290 1.085,1292 5.198,1296 -4.465,1300 28.078,1301 77.274,1302 159.065,1303 197.065,1304 218.574,1305 220.574,1306 220.574,1307 80.727,1308 6.538,1309 71.78,1310 71.78,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 174.399,1320 318.9,1321 417.292,1322 4880,1323 7,1324 18.993,1325 0.731,1326 0.528,1327 16.493,1328 13.739,1329 12.376,1330 0.458,1331 0.292,1332 7.707,1333 11.651,1334 7.629,1335 6.299,1336 11.165,1337 7.875,1338 11.437,1339 0.318,1340 0.151,1341 9.479,1342 5.444,1343 7.869,1344 0.192,1345 0.084,1346 6.907,1347 3.43,1348 6.108,1349 0.125,1350 0.044,1351 5.575,1352 2.171,1353 4.914,1354 0.082,1355 0.023,1356 4.359,1357 1.384,1358 0.42,1359 79.615,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 631.244,1365 153.432,1366 519.682,1367 657.28,1368 478,1369 140,1370 442.984,1371 159.787,1372 424.012,1373 625.36,1374 396,1375 8.277} {0 CHEMBL281207,1 1.576,2 8,3 1.434,4 2.057,5 60.199,6 7.899,7 0.647,8 3.4,9 3.51,10 3.025,11 2.936,12 4.623,13 2.938,14 3.871,15 4.035,16 3.259,17 3.244,18 4.976,19 3.225,20 4.025,21 4.23,22 3.112,23 3.262,24 5.071,25 3.181,26 3.937,27 4.165,28 2.966,29 3.097,30 5.019,31 3.01,32 3.824,33 4.068,34 2.828,35 2.914,36 4.94,37 2.83,38 3.571,39 3.817,40 2.649,41 2.84,42 4.528,43 2.743,44 3.491,45 3.71,46 2.663,47 2.818,48 4.604,49 2.731,50 3.43,51 3.686,52 2.491,53 2.675,54 4.55,55 2.576,56 0.014,57 0.399,58 4.722,59 2.203,60 6.838,61 2.736,62 0.149,63 0.599,64 9.104,65 3.362,66 11.917,67 4.147,68 0.217,69 0.627,70 11.954,71 4.42,72 19.239,73 5.705,74 0.118,75 0.57,76 11.158,77 4.051,78 24.12,79 5.453,80 0.247,81 0.487,82 10.743,83 3.48,84 30.171,85 4.757,86 0.092,87 0.419,88 7.768,89 2.789,90 14.547,91 3.952,92 0.057,93 0.41,94 6.515,95 2.458,96 14.573,97 3.482,98 0.104,99 0.376,100 6.707,101 2.244,102 15.741,103 3.25,104 3,105 21,106 0.306,107 0.667,108 0.837,109 0.895,110 0.895,111 0.895,112 2.85,113 0.877,114 -2.52,115 -2.55,116 -2.49,118 44.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 4,171 1,172 3,180 4,185 1,186 4,194 2,198 2,209 2,210 3,222 2,234 3,246 1,247 2,259 1,270 262,271 11.146,272 11.146,273 11.146,274 11.146,275 11.146,276 9.709,277 11.691,278 6.927,279 11.481,280 8.36,281 8.36,282 8.36,283 8.36,284 8.36,285 6.178,286 11.461,287 3.238,288 8.886,289 3.179,290 1.32,291 0.444,292 0.148,293 0.148,294 0.148,295 3.507,299 1,300 1,301 268,302 2.345,305 47.261,306 55.195,313 1.25,314 11.363,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 34.5,326 128,327 4.132,328 4.058,329 5.588,330 3.662,331 2.692,332 3.725,333 2.035,334 7.69,335 2.615,336 3.92,337 2.92,338 5.352,339 3.452,340 2.536,341 3.478,342 0.86,343 6.996,344 2.318,345 3.588,346 2.637,347 4.959,348 3.033,349 2.087,350 2.748,352 5.834,353 1.963,354 2.968,355 2.284,356 3.615,357 2.366,358 1.428,359 1.853,361 3.022,362 1.334,363 2.706,364 1.604,365 3.488,366 2.201,367 1.223,368 1.744,370 2.64,371 1.193,372 2.615,373 1.276,374 3.17,375 1.797,376 0.885,377 1.075,379 1.957,380 0.801,381 2.129,382 1.092,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 2.118,391 0.618,392 2.695,393 1.374,394 0.429,395 0.87,397 0.624,398 0.404,399 1.121,400 0.122,401 2.511,402 0.818,403 -0.098,404 -0.115,406 -0.239,407 -0.09,408 0.787,409 -0.05,410 1.837,411 0.242,412 -0.713,413 -0.954,415 -1.486,416 -0.671,417 0.55,418 -0.465,419 1.625,420 0.118,421 -0.842,422 -1.286,424 -2.171,425 -0.807,426 0.037,427 -1.119,428 1.355,429 -0.34,430 -1.278,431 -1.581,433 -2.9,434 -1.205,435 -0.118,436 -1.238,437 1,438 -0.648,439 -1.604,440 -2.041,442 -4.024,443 -1.463,444 -0.242,445 -1.444,446 0.549,447 -0.704,448 -1.618,449 -2.427,451 -4.372,452 -1.497,453 -0.44,454 -1.618,455 0.51,456 -0.84,457 -1.761,458 -2.43,460 -4.472,461 -1.674,462 7.533,463 0.471,464 0.205,465 0.013,466 24,467 1.5,468 13.5,469 0.844,470 10.5,471 0.656,472 7.82,473 0.489,474 16.467,475 0.61,476 13.438,477 0.84,478 4.887,479 0.305,480 2.995,481 0.187,482 0.053,484 0.186,487 0.854,488 1.41,489 0.713,490 1.156,491 0.479,492 0.956,493 1.383,494 0.914,495 1.031,496 0.914,497 0.616,498 0.913,499 1.289,500 0.905,501 1.143,502 1.032,503 0.78,504 1.076,505 1.115,506 1.1,507 1.049,508 1.193,509 1.105,510 1.129,511 1.18,512 0.821,513 0.993,514 0.874,515 0.889,516 0.914,517 0.733,518 0.924,519 0.905,520 0.874,521 0.835,522 0.906,523 0.587,524 1.208,525 1,526 1.117,527 1.203,528 1.112,529 0.636,530 0.781,531 0.991,532 0.842,533 1.259,534 0.931,535 2.5,536 0.02,537 0.889,538 0.597,539 0.347,540 0.288,541 0.086,542 0.085,543 0.066,544 0.031,545 2222,546 6866,547 2.066,548 40.7,550 8,551 1,552 2,558 1.542,559 2,560 3.041,561 -0.734,565 1,567 42.554,568 1.576,569 3.434,570 4.31,571 4.607,572 4.607,573 4.607,574 2.483,575 3.375,576 3.975,577 3.16,578 379.145,579 6.65,580 3424.8,582 1,584 1,585 128.382,586 1.014,587 3.962,588 0.147,589 0.01,590 0.042,591 0.035,592 0.025,593 0.024,594 0.008,595 0.008,596 0.007,597 0.005,598 0.311,599 0.67,600 1,601 0.75,602 66.359,603 -0.022,604 -0.327,605 0.062,606 -0.181,607 0.083,608 -0.07,609 -0.198,610 0.138,611 -0.138,612 0.024,613 -0.062,614 -0.032,615 -0.094,616 0.008,617 -0.169,618 -0.045,619 -0.056,620 -0.11,621 -0.063,622 -0.207,623 -0.051,624 -0.214,625 -0.056,626 -0.141,627 0.151,628 0.055,629 0.077,630 0.093,631 0.144,632 0.071,633 -0.056,634 0.012,635 0.065,636 0.114,637 -0.062,638 0.11,639 -0.046,640 -0.207,641 -0.099,642 -0.155,643 -0.201,644 -0.139,645 0.005,646 0.22,647 -0.02,648 0.099,649 -0.142,650 0.05,651 1.055,652 2.72,653 0.688,654 10.422,655 1.006,656 1.125,657 1.291,658 1.666,659 0.686,660 2.89,661 3.091,662 3.258,663 3.401,664 3.367,665 3.258,666 3.219,667 3.178,668 3.219,669 3.178,670 4.979,671 0.662,672 213.26,673 2.89,674 4.344,675 5.13,676 5.938,677 6.735,678 7.546,679 8.345,680 9.158,681 9.958,682 10.771,683 11.1,691 1,692 1,693 1,699 7,700 1,704 2,705 1,706 11,707 1,722 1,724 27,726 12,727 1,728 17,730 28,731 12,733 9,734 2,735 4,739 2,740 2,752 1,753 9,754 2,769 1,772 11,773 3,775 4,778 1,779 3,784 1,785 1,801 1,802 1,832 2,840 16,846 2,848 1,853 1,858 1,860 1,862 3.7,867 1,869 8,870 4.85,871 3.75,872 1.521,874 2.089,875 1.366,876 0.95,877 3.449,878 7.792,879 3.239,880 3.707,881 4.229,882 4.688,883 4.903,884 4.849,885 5.022,886 4.875,887 5.238,888 5.558,889 1,890 17,891 5.827,893 2.317,894 7.833,895 10.992,897 8.35,899 2.333,900 37.333,901 0.002,904 129.482,905 96.347,906 49.744,908 11,911 96.347,912 140.482,913 49.744,915 6.698,916 46.952,917 65.548,918 61.435,919 11.771,920 94.169,922 129.482,923 146.091,924 11,927 129.482,928 11,931 57.323,932 71.983,933 16.786,935 129.482,936 60.744,937 96.347,940 129.482,941 15.127,942 66.518,943 16.602,944 58.845,945 129.482,946 60.744,947 96.347,949 0.548,950 0.313,951 0.163,952 0.072,953 9,954 3,955 0.143,956 4,958 1,959 3.027,960 96.419,962 11,963 64,968 10.566,969 5.223,970 3.021,972 58.845,973 12.497,974 3.94,978 1.333,979 1.939,981 286.573,982 24.5,994 27.167,995 30.365,996 0.331,997 0.722,998 0.907,999 0.969,1000 0.969,1001 0.969,1002 4.404,1003 0.429,1004 5.03,1005 1.372,1006 3.761,1007 4.388,1008 2.376,1009 5.673,1010 3.648,1011 5.569,1012 -0.098,1013 6.475,1014 0.624,1015 2.944,1016 3.726,1018 6.188,1019 2.783,1020 6.82,1021 -0.713,1022 8.012,1023 -0.239,1024 5.187,1025 6.466,1026 3.594,1027 9.196,1028 4.969,1029 8.105,1030 -0.842,1031 9.603,1032 -1.486,1033 5.252,1034 6.742,1036 10.545,1037 4.978,1038 9.419,1039 -1.278,1040 11.229,1041 -2.171,1042 6.843,1043 8.776,1044 4.968,1045 12.966,1046 6.531,1047 10.753,1048 -1.604,1049 12.877,1050 -2.9,1051 7.331,1052 9.495,1054 14.66,1055 6.966,1056 12.101,1057 -1.618,1058 14.539,1059 -4.024,1060 8.62,1061 11.203,1062 6.379,1063 16.856,1064 8.225,1065 2.692,1066 -1.761,1067 16.211,1068 -4.372,1069 9.328,1070 12.158,1072 18.712,1073 8.885,1074 2.536,1075 7.69,1076 17.889,1077 -4.472,1078 10.466,1079 13.696,1080 7.797,1081 20.811,1082 9.998,1083 2.087,1084 6.996,1085 19.572,1086 3.725,1087 11.294,1088 14.786,1090 22.747,1091 10.781,1092 1.428,1093 5.834,1094 21.259,1095 3.478,1096 12.354,1097 16.229,1098 9.217,1099 24.804,1100 11.818,1101 1.223,1102 3.022,1103 22.949,1104 2.748,1105 13.247,1106 17.398,1108 26.781,1109 12.672,1110 0.885,1111 2.64,1112 24.641,1113 1.853,1114 14.267,1115 18.788,1116 10.638,1117 28.821,1118 13.669,1119 0.618,1120 1.957,1121 26.335,1122 1.744,1123 15.196,1124 20.005,1126 30.82,1127 14.564,1128 2226,1129 3987,1130 11.614,1131 18.517,1132 25.291,1133 26.511,1134 24.284,1135 23.815,1136 23.795,1137 32.84,1138 5.789,1139 60.269,1140 22.408,1141 5.003,1142 6.058,1143 5.248,1144 4.745,1145 4.692,1146 6.725,1147 4.069,1148 13.23,1149 4.615,1150 4.868,1151 1.488,1152 1.559,1153 1.428,1154 1.401,1155 1.4,1156 1.932,1157 0.341,1158 3.545,1159 1.318,1160 3.954,1161 4.007,1162 3.896,1163 3.852,1164 6.82,1165 3.854,1166 3.881,1167 3.919,1168 3.827,1169 3.697,1170 4.962,1171 3.726,1172 3.367,1173 3.421,1174 3.259,1175 3.158,1176 4.812,1177 3.17,1178 3.16,1179 3.217,1180 3.086,1181 3.008,1182 4.301,1183 3.021,1184 2.849,1185 2.905,1186 2.712,1187 2.706,1188 3.69,1189 2.698,1190 2.538,1191 2.629,1192 2.4,1193 2.325,1194 3.586,1195 2.33,1196 2.49,1197 2.58,1198 2.289,1199 2.299,1200 3.352,1201 2.292,1202 2.399,1203 2.514,1204 2.202,1205 2.086,1206 3.259,1207 2.095,1208 0.243,1209 0.239,1210 0.329,1211 0.215,1212 0.158,1213 4.132,1214 0.219,1215 4.058,1216 0.12,1217 5.588,1218 0.452,1219 3.662,1220 0.154,1221 2.692,1222 3.725,1223 2.035,1224 7.69,1225 2.615,1226 1.894,1227 1.873,1228 1.994,1229 1.994,1230 1.108,1231 1.994,1232 1.628,1233 1.561,1234 1.825,1235 1.858,1236 1.026,1237 1.852,1238 1.309,1239 1.246,1240 1.5,1241 1.528,1242 0.528,1243 1.521,1244 1.143,1245 1.098,1246 1.334,1247 1.401,1248 0.316,1249 1.384,1250 1.064,1251 1,1252 1.225,1253 1.267,1254 0.192,1255 1.255,1256 0.813,1257 0.753,1258 1.075,1259 1.001,1260 0.124,1261 1.031,1262 0.465,1263 0.387,1264 0.829,1265 0.727,1267 0.744,1268 0.283,1269 0.145,1270 0.702,1271 0.649,1273 0.711,1274 3.555,1276 4.779,1277 2.398,1278 6.184,1279 4.443,1280 7.67,1281 6.26,1282 9.198,1290 1.308,1292 5.522,1298 8.72,1299 2.076,1300 17.886,1301 42.554,1302 92.73,1303 116.382,1304 124.382,1305 124.382,1306 124.382,1307 17.61,1308 5.704,1309 50.84,1310 50.84,1311 11,1312 11.36,1313 3.7,1314 3.087,1315 26.216,1316 48,1317 38,1318 0.27,1319 114.979,1320 192.95,1321 272.309,1322 1858,1324 11.217,1325 0.701,1326 0.544,1327 11.217,1328 8.706,1329 7.881,1330 0.464,1331 0.292,1332 4.884,1333 7.525,1334 4.794,1335 3.991,1336 7.881,1337 4.97,1338 6.388,1339 0.304,1340 0.157,1341 6.388,1342 3.289,1343 5.168,1344 0.207,1345 0.086,1346 5.168,1347 2.141,1348 4.03,1349 0.139,1350 0.046,1351 4.03,1352 1.343,1353 2.613,1354 0.093,1355 0.026,1356 2.613,1357 0.724,1358 0.428,1359 49.662,1360 0.293,1361 16.7,1362 0.716,1363 76,1364 252.671,1365 83.761,1366 245.893,1367 328.56,1368 230,1369 84,1370 232.793,1371 92.068,1372 236.859,1373 333.48,1374 221,1375 5.456} {0 CHEMBL281338,1 1.541,2 10.893,3 4.124,4 17.008,5 117.557,6 7.229,7 0.414,8 4.056,9 4.184,10 3.574,11 3.613,12 5.164,13 3.557,14 4.562,15 4.747,16 3.932,17 3.973,18 5.688,19 3.89,20 4.848,21 5.065,22 3.896,23 4.155,24 5.828,25 4.015,26 4.955,27 5.23,28 4.018,29 4.188,30 5.845,31 4.019,32 4.816,33 5.011,34 3.956,35 4.19,36 5.873,37 4.034,38 4.873,39 5.11,40 3.939,41 4.18,42 5.794,43 4.038,44 4.891,45 5.122,46 3.912,47 4.176,48 5.845,49 4.024,50 4.938,51 5.207,52 3.908,53 4.091,54 5.936,55 3.933,56 0.055,57 0.762,58 11.833,59 5.138,60 10.96,61 6.911,62 0.243,63 1.216,64 21.923,65 8.262,66 44.788,67 11.724,68 0.285,69 1.539,70 31.12,71 11.283,72 46.461,73 15.236,74 0.262,75 1.612,76 36.569,77 13.646,78 49.458,79 18.403,80 0.287,81 1.572,82 37.4,83 12.568,84 53.132,85 15.3,86 0.2,87 1.554,88 31.144,89 12.107,90 36.193,91 16.685,92 0.198,93 1.589,94 31.386,95 12.25,96 33.298,97 16.863,98 0.237,99 1.558,100 35.45,101 12.654,102 49.683,103 17.241,104 54,105 39,106 0.256,107 0.612,108 0.77,109 0.835,110 0.841,111 0.841,112 3.374,113 1.001,114 -4.06,115 -4.01,116 -3.8,118 40,119 3,120 3,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 1,155 1,163 1,167 1,168 12,169 1,172 3,175 1,176 1,177 6,180 17,181 1,186 3,191 3,194 14,195 1,198 3,203 8,206 13,207 1,210 4,215 5,218 12,219 1,222 3,227 5,229 14,230 2,234 4,237 1,239 6,242 10,243 3,247 3,248 1,252 6,255 7,256 2,258 1,259 2,262 2,264 4,265 1,267 6,268 1,270 1442,271 18.068,272 18.068,273 18.068,274 18.068,275 18.068,276 16.073,277 18.808,278 11.026,279 18.353,280 14.386,281 14.386,282 14.386,283 14.386,284 14.386,285 11.411,286 28.986,287 5.311,288 14.856,289 4.241,290 2.098,291 1.142,292 0.751,293 0.714,294 0.714,295 4.037,299 1,300 1,301 611,302 4.743,306 213.938,313 1.758,314 22.684,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 59.5,326 305,327 4.393,328 3.825,329 6.508,330 4.096,331 3.134,332 3.987,333 2.341,334 10.227,335 3.024,336 4.165,337 3.596,338 6.446,339 4.023,340 3.026,341 3.494,342 1.762,343 10.153,344 3.009,345 3.924,346 3.127,347 5.542,348 3.528,349 2.565,350 3.197,351 0.247,352 7.517,353 2.476,354 3.563,355 3.042,356 5.137,357 3.237,358 2.232,359 2.874,361 6.153,362 2.219,363 3.544,364 2.549,365 4.671,366 3.116,367 2.17,368 2.709,370 5.186,371 2.054,372 3.327,373 2.105,374 4.656,375 2.805,376 1.878,377 2.512,379 5.019,380 1.719,381 2.965,382 1.865,383 4.106,384 2.536,385 1.556,386 2.116,388 3.706,389 1.51,390 2.725,391 1.486,392 3.564,393 2.372,394 1.395,395 1.779,397 2.946,398 1.358,399 2.635,400 1.217,401 3.494,402 2.173,403 1.181,404 1.669,406 2.611,407 1.17,408 2.5,409 1.101,410 3.26,411 1.957,412 1,413 1.5,415 2.136,416 0.954,417 2.204,418 1,419 3.247,420 1.802,421 0.804,422 1.062,424 1.923,425 0.799,426 1.296,427 0.739,428 3.072,429 1.123,430 0.122,431 0.136,433 0.279,434 0.121,435 1.182,436 0.583,437 2.593,438 0.877,439 -0.058,440 -0.065,442 -0.167,443 -0.054,444 0.881,445 0.288,446 2.419,447 0.396,448 -0.485,449 -0.618,451 -1.261,452 -0.405,453 0.74,454 0.188,455 2.29,456 0.312,457 -0.684,458 -0.802,460 -1.545,461 -0.664,462 13.7,463 0.489,464 0.843,465 0.03,466 33,467 1.179,468 16.5,469 0.589,470 16.5,471 0.589,472 26.452,473 0.945,474 30.7,475 0.558,476 25.468,477 0.91,478 6.418,479 0.229,480 6.825,481 0.244,482 0.219,483 0.036,484 0.219,487 0.873,488 1.193,489 0.771,490 0.945,491 0.77,492 0.982,493 0.475,494 1.185,495 0.71,496 0.99,497 0.361,498 0.982,499 1.11,500 1.047,501 1.13,502 1.036,503 0.994,504 1.126,505 0.635,506 0.822,507 0.687,508 0.729,509 0.622,510 0.745,511 1.13,512 1.206,513 1.804,514 1.478,515 1.049,516 1.214,517 0.644,518 1.023,519 0.843,520 0.938,521 0.572,522 0.995,523 0.636,524 1.142,525 0.941,526 1.1,527 0.583,528 1.17,529 0.807,530 0.99,531 0.8,532 0.926,533 0.705,534 0.918,535 7,536 0.215,537 2.222,538 2.063,539 0.853,540 0.701,541 0.585,542 0.552,543 0.406,544 0.313,545 8793,546 24916,547 1.928,548 49.1,549 4,550 7,552 2,553 3,554 2,555 9,558 1.715,559 1.778,560 3.396,561 0.882,563 1,567 84.73,568 1.541,569 3.683,570 4.64,571 5.031,572 5.067,573 5.067,574 2.88,575 4.253,576 4.773,577 3.625,578 1370.2,579 8.331,580 18719.7,582 1,584 1,585 317.975,586 1.607,587 4.711,588 0.241,589 0.009,590 0.057,591 0.057,592 0.022,593 0.018,594 0.015,595 0.015,596 0.012,597 0.011,598 0.459,599 0.33,600 1,601 1.907,602 141.523,603 -0.077,604 -0.039,605 0.001,606 0.019,607 -0.097,608 0.02,609 0.271,610 -0.107,611 0.117,612 -0.04,613 0.285,614 0.012,615 -0.206,616 0.012,617 -0.209,618 -0.074,619 -0.191,620 -0.153,621 0.055,622 0.114,623 0.278,624 0.261,625 0.058,626 0.265,627 -0.233,628 -0.046,629 -0.406,630 -0.212,631 -0.2,632 -0.186,633 -0.021,634 -0.022,635 0.012,636 0.012,637 -0.016,638 0.006,639 0.005,640 -0.128,641 -0.093,642 -0.158,643 -0.032,644 -0.176,645 0.053,646 -0.044,647 0.135,648 0.018,649 0.126,650 0.063,651 2.442,652 3.773,653 0.429,654 30.321,655 0.993,656 1.124,657 2.831,658 8.016,659 0.667,660 3.401,661 3.689,662 3.761,663 4.007,664 4.127,665 4.174,666 4.29,667 4.394,668 4.344,669 4.344,670 6.788,671 0.618,672 397.59,673 3.401,674 4.92,675 5.7,676 6.561,677 7.363,678 8.231,679 9.046,680 9.917,681 10.74,682 11.613,683 5.5,690 2,693 1,699 8,700 1,704 3,706 12,724 55,726 15,727 1,728 29,730 56,731 22,733 11,734 2,735 4,736 2,739 2,740 2,744 1,745 3,751 3,753 15,754 7,755 1,756 3,761 1,762 1,763 1,765 3,769 1,772 27,773 5,774 3,775 6,776 1,779 3,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,834 1,836 3,840 28,845 1,846 3,847 2,852 1,862 3.6,864 1,865 1,869 15.75,870 10.483,871 6.181,872 3.211,874 2.199,875 1.327,876 0.911,877 8.153,878 8.926,879 3.664,880 4.174,881 4.564,882 5.11,883 5.577,884 5.733,885 6.126,886 6.437,887 6.598,888 6.805,889 1,890 36,891 10.298,893 4.144,894 7.801,895 19.627,897 15.34,899 2.301,900 64.417,902 1,903 1,904 282.506,905 177.208,906 52.807,908 67.828,910 45.192,911 132.016,912 350.335,913 52.807,914 26.476,915 43.625,916 66.334,917 109.066,918 30.408,919 0.285,920 258.964,921 45.192,922 282.506,923 184.823,924 67.828,925 45.192,927 176.567,928 173.768,931 88.196,932 70.365,933 26.262,934 45.192,935 282.506,936 120.635,937 177.208,940 282.506,941 21.111,942 110.904,943 36.022,944 129.806,945 282.506,946 120.635,947 177.208,949 0.572,950 0.28,951 0.154,952 0.079,953 15,954 8,955 0.143,956 8,958 1,959 3.875,960 221.103,962 12,963 129.851,965 1,968 22.06,969 10.349,970 8.132,972 120.635,973 15.445,974 4.217,978 2.9,980 78.705,981 580.349,982 38,987 10.773,988 5.394,989 2.074,991 0.817,994 54.64,995 61.816,996 0.266,997 0.637,998 0.803,999 0.87,1000 0.876,1001 0.876,1002 4.883,1003 1.395,1004 5.707,1005 3.706,1006 4.369,1007 4.86,1008 2.708,1009 6.472,1010 4.311,1011 6.086,1012 1.181,1013 7.239,1014 2.946,1015 4.111,1016 4.62,1017 2.494,1018 7.535,1019 4.021,1020 7.38,1021 1,1022 8.881,1023 2.611,1024 5.969,1025 6.921,1026 3.93,1027 10.459,1028 5.862,1029 8.703,1030 0.804,1031 10.589,1032 2.136,1033 6.463,1034 7.382,1035 4.294,1036 12.305,1037 6.332,1038 10.053,1039 0.122,1040 12.339,1041 1.923,1042 7.872,1043 9.248,1044 5.384,1045 14.827,1046 7.724,1047 11.422,1048 -0.058,1049 14.118,1050 0.279,1051 8.705,1052 10.067,1053 6.004,1054 16.963,1055 8.534,1056 12.807,1057 -0.485,1058 15.918,1059 -0.167,1060 9.939,1061 11.722,1062 6.954,1063 19.356,1064 9.75,1065 3.134,1066 -0.684,1067 17.733,1068 -1.261,1069 10.93,1070 12.754,1071 7.695,1072 21.603,1073 10.718,1074 3.026,1075 10.227,1076 19.56,1077 -1.545,1078 12.093,1079 14.29,1080 8.585,1081 23.95,1082 11.861,1083 2.565,1084 10.153,1085 21.395,1086 3.987,1087 13.157,1088 15.454,1089 9.383,1090 26.241,1091 12.901,1092 2.232,1093 7.517,1094 23.237,1095 3.494,1096 14.295,1097 16.921,1098 10.249,1099 28.571,1100 14.017,1101 2.17,1102 6.153,1103 25.083,1104 3.197,1105 15.392,1106 18.167,1107 11.075,1108 30.88,1109 15.09,1110 1.878,1111 5.186,1112 26.934,1113 2.874,1114 16.521,1115 19.593,1116 11.931,1117 33.204,1118 16.196,1119 1.556,1120 5.019,1121 28.789,1122 2.709,1123 17.634,1124 20.891,1125 12.769,1126 35.52,1127 17.285,1128 9061,1129 15366,1130 18.375,1131 36.711,1132 43.063,1133 44.385,1134 42.853,1135 42.278,1136 42.129,1137 54.071,1138 8.7,1139 115.712,1140 40.825,1141 5.276,1142 5.825,1143 6.31,1144 5.132,1145 5.134,1146 6.987,1147 3.925,1148 17.033,1149 5.024,1150 17.423,1151 1.485,1152 1.531,1153 1.478,1154 1.458,1155 1.453,1156 1.865,1157 0.3,1158 3.99,1159 1.408,1160 4.01,1161 4.04,1162 4.003,1163 3.951,1164 7.474,1165 3.948,1166 3.816,1167 3.862,1168 3.878,1169 3.721,1170 6.351,1171 3.719,1172 3.742,1173 3.802,1174 3.707,1175 3.615,1176 4.944,1177 3.598,1178 3.695,1179 3.74,1180 3.579,1181 3.549,1182 4.877,1183 3.544,1184 3.4,1185 3.432,1186 3.473,1187 3.276,1188 4.671,1189 3.251,1190 3.274,1191 3.322,1192 3.293,1193 3.191,1194 4.299,1195 3.133,1196 3.029,1197 3.067,1198 2.921,1199 2.838,1200 4.23,1201 2.849,1202 2.874,1203 3.009,1204 2.768,1205 2.711,1206 3.843,1207 2.676,1208 0.151,1209 0.132,1210 0.224,1211 0.141,1212 0.108,1213 4.393,1214 0.137,1215 3.825,1216 0.081,1217 6.508,1218 0.353,1219 4.096,1220 0.104,1221 3.134,1222 3.987,1223 2.341,1224 10.227,1225 3.024,1226 1.978,1227 1.954,1228 2.074,1229 2.057,1230 1.283,1231 2.065,1232 1.796,1233 1.759,1234 1.971,1235 1.937,1236 1.16,1237 1.952,1238 1.728,1239 1.667,1240 1.919,1241 1.886,1242 1.122,1243 1.9,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.942,1249 1.868,1250 1.341,1251 1.307,1252 1.53,1253 1.546,1254 0.674,1255 1.536,1256 1.203,1257 1.167,1258 1.417,1259 1.404,1260 0.469,1261 1.417,1262 0.977,1263 0.937,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.804,1270 1.297,1271 1.239,1272 0.375,1273 1.308,1274 4.078,1276 5.371,1278 6.828,1280 8.363,1282 9.944,1284 6.16,1289 8.857,1290 1.431,1291 6.468,1296 -0.118,1300 34.003,1301 84.73,1302 202.577,1303 255.181,1304 276.691,1305 278.691,1306 278.691,1307 65.33,1308 6.726,1309 74.25,1310 106.34,1311 12,1312 12.165,1313 4,1314 3.322,1315 61.572,1316 109,1317 116,1318 0.267,1319 220.175,1320 387.97,1321 528.987,1322 6393,1324 20.571,1325 0.735,1326 0.619,1327 21.071,1328 17.345,1329 13.243,1330 0.457,1331 0.334,1332 9.22,1333 12.635,1334 8.807,1335 7.452,1336 13.532,1337 9.672,1338 12.639,1339 0.324,1340 0.204,1341 13.047,1342 7.964,1343 7.95,1344 0.189,1345 0.096,1346 8.17,1347 4.04,1348 6.985,1349 0.129,1350 0.058,1351 7.457,1352 3.116,1353 4.933,1354 0.081,1355 0.028,1356 5.04,1357 1.716,1358 0.418,1359 84.789,1360 0.233,1361 26.874,1362 0.735,1363 136,1364 373.056,1365 160.236,1366 392.663,1367 517.56,1368 362,1369 149,1370 354.658,1371 165.005,1372 373.99,1373 529.38,1374 348,1375 7.658} {0 CHEMBL281398,1 1.517,2 11.067,3 4.085,4 16.686,5 118.802,6 7.115,7 0.387,8 4.097,9 4.228,10 3.597,11 3.62,12 5.276,13 3.588,14 4.588,15 4.778,16 3.909,17 3.975,18 5.754,19 3.909,20 4.864,21 5.087,22 3.898,23 4.126,24 5.897,25 4.026,26 4.948,27 5.211,28 3.968,29 4.143,30 5.916,31 4.035,32 4.91,33 5.127,34 4.017,35 4.209,36 5.98,37 4.126,38 5.057,39 5.307,40 4.044,41 4.298,42 6.066,43 4.175,44 5.015,45 5.256,46 3.958,47 4.233,48 6.092,49 4.109,50 4.985,51 5.255,52 3.905,53 4.098,54 6.025,55 3.982,56 0.044,57 0.824,58 11.964,59 4.958,60 15.849,61 6.82,62 0.278,63 1.255,64 20.978,65 8.364,66 49.785,67 11.741,68 0.303,69 1.548,70 28.935,71 9.829,72 57.139,73 14.374,74 0.295,75 1.601,76 32.507,77 11.532,78 61.062,79 17.058,80 0.347,81 1.675,82 30.079,83 9.857,84 54.134,85 14.543,86 0.232,87 1.828,88 35.374,89 13.127,90 57.472,91 19.379,92 0.289,93 1.774,94 33.794,95 11.722,96 72.544,97 17.44,98 0.246,99 1.583,100 34.1,101 11.503,102 56.642,103 17.191,104 64,105 41,106 0.248,107 0.623,108 0.775,109 0.836,110 0.842,111 0.842,112 3.44,113 0.942,114 -4.3,115 -4.23,116 -4,118 40.4,119 3,120 3,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 12,169 1,172 6,175 4,176 1,177 3,180 17,181 1,186 3,191 3,194 14,195 1,197 1,198 5,201 1,203 11,206 13,207 1,210 6,215 5,218 12,219 1,222 10,227 5,229 14,230 2,234 8,237 1,239 6,242 10,243 3,247 7,248 1,252 6,255 7,256 2,258 2,259 6,262 2,264 4,265 1,267 6,268 1,270 1696,271 19.646,272 19.646,273 19.646,274 19.646,275 19.646,276 17.391,277 20.636,278 12.141,279 19.967,280 15.351,281 15.351,282 15.351,283 15.351,284 15.351,285 11.948,286 28.701,287 5.767,288 15.837,289 4.316,290 2.025,291 1.102,292 0.724,293 0.689,294 0.689,295 4.105,299 1,300 1,301 663,302 4.95,306 231.971,313 1.809,314 26.385,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 64.5,326 332,327 4.394,328 3.922,329 6.509,330 4.104,331 3.141,332 3.988,333 2.341,334 10.235,335 3.03,336 4.256,337 3.596,338 6.456,339 4.023,340 3.026,341 3.533,342 1.374,343 10.191,344 3.012,345 3.922,346 3.376,347 5.58,348 3.547,349 2.586,350 3.375,351 1.107,352 7.657,353 2.492,354 3.635,355 3.052,356 5.224,357 3.237,358 2.241,359 2.865,360 0.268,361 6.465,362 2.219,363 3.551,364 2.797,365 4.868,366 3.191,367 2.231,368 2.709,370 5.482,371 2.124,372 3.465,373 2.401,374 4.659,375 2.918,376 1.956,377 2.58,379 5.182,380 1.873,381 3.251,382 2.075,383 4.114,384 2.565,385 1.577,386 2.153,388 3.728,389 1.553,390 2.966,391 1.845,392 3.564,393 2.377,394 1.398,395 1.795,397 2.947,398 1.365,399 2.725,400 1.476,401 3.496,402 2.185,403 1.195,404 1.7,406 2.623,407 1.182,408 2.636,409 1.208,410 3.261,411 1.957,412 1.023,413 1.653,415 2.136,416 0.954,417 2.5,418 1.101,419 3.247,420 1.933,421 1,422 1.5,424 1.925,425 0.93,426 2.204,427 1,428 3.215,429 1.801,430 0.804,431 1.062,433 1.754,434 0.799,435 1.318,436 0.669,437 3.025,438 1.123,439 0.122,440 0.136,442 0.279,443 0.121,444 1.295,445 0.585,446 2.591,447 0.88,448 -0.057,449 -0.071,451 -0.162,452 -0.054,453 1.223,454 0.3,455 2.323,456 0.57,457 -0.341,458 -0.472,460 -0.617,461 -0.31,462 14.167,463 0.472,464 0.805,465 0.027,466 38.25,467 1.275,468 20,469 0.667,470 18.25,471 0.608,472 26.684,473 0.889,474 32.633,475 0.573,476 30.54,477 1.018,478 7.458,479 0.249,480 6.823,481 0.227,482 0.181,483 0.035,484 0.212,487 0.857,488 1.321,489 0.874,490 1.113,491 0.683,492 1.013,493 0.42,494 1.043,495 0.81,496 1.059,497 0.345,498 1.002,499 1.124,500 1.079,501 1.174,502 1.06,503 0.933,504 1.107,505 0.647,506 0.972,507 0.739,508 0.883,509 0.561,510 0.839,511 1.187,512 0.99,513 1.187,514 0.957,515 0.84,516 1.036,517 0.589,518 1.095,519 0.892,520 1.053,521 0.598,522 1.021,523 0.802,524 1.117,525 1.135,526 1.17,527 1.101,528 1.182,529 0.799,530 1.05,531 0.837,532 1.019,533 0.682,534 0.942,535 7,536 0.223,537 2.222,538 2.063,539 1.093,540 0.868,541 0.606,542 0.595,543 0.427,544 0.313,545 10427,546 30930,547 1.932,548 47.4,549 4,550 7,552 2,553 3,554 2,555 9,558 1.734,559 1.791,560 3.421,561 0.867,563 1,567 86.441,568 1.517,569 3.808,570 4.731,571 5.109,572 5.144,573 5.144,574 2.886,575 4.482,576 4.874,577 3.658,578 1591.42,579 8.54,580 22869.4,582 1,584 1,585 332.475,586 1.557,587 4.817,588 0.226,589 0.008,590 0.054,591 0.053,592 0.025,593 0.019,594 0.013,595 0.015,596 0.011,597 0.009,598 0.434,599 0.17,600 1,601 1.977,602 154.86,603 -0.079,604 -0.106,605 0.007,606 -0.009,607 -0.046,608 0.007,609 0.315,610 0.067,611 0.104,613 0.247,614 0.014,615 -0.21,616 -0.01,617 -0.221,618 -0.064,619 -0.174,620 -0.13,621 0.091,622 -0.016,623 0.224,624 0.124,625 0.077,626 0.176,627 -0.264,628 0.131,629 -0.235,630 0.024,631 -0.142,632 -0.075,633 0.012,634 -0.105,635 0.042,636 -0.024,637 0.02,638 0.006,639 -0.08,640 -0.071,641 -0.192,642 -0.177,643 -0.166,644 -0.192,645 0.045,646 -0.114,647 0.144,648 -0.035,649 0.101,650 0.058,651 2.465,652 3.805,653 0.4,654 32.871,655 0.998,656 1.131,657 3.065,658 9.395,659 0.655,660 3.466,661 3.738,662 3.829,663 4.078,664 4.234,665 4.277,666 4.357,667 4.477,668 4.466,669 4.477,670 7.003,671 0.62,672 405.55,673 3.466,674 4.977,675 5.759,676 6.616,677 7.424,678 8.289,679 9.11,680 9.979,681 10.808,682 11.679,683 8.8,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 57,726 16,727 1,728 31,730 58,731 23,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 3,751 3,752 1,753 15,754 7,755 1,756 3,761 1,763 1,764 1,765 3,769 1,772 27,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 3,840 30,845 1,846 3,847 2,852 1,853 1,858 1,860 1,862 3.5,864 1,865 1,869 16.75,870 10.967,871 6.764,872 3.319,874 2.473,875 1.361,876 0.906,877 8.586,878 9.331,879 3.761,880 4.248,881 4.663,882 5.203,883 5.664,884 5.869,885 6.22,886 6.568,887 6.8,888 7.048,889 1,890 39,891 11.002,893 4.416,894 7.908,895 20.723,897 15.992,899 2.408,900 72.25,902 1,903 1,904 282.506,905 149.803,906 100.652,908 67.828,911 149.803,912 350.335,913 100.652,914 26.476,915 7.604,916 84.344,917 143.25,918 78.253,919 1.899,920 258.964,922 282.506,923 250.455,924 67.828,927 176.567,928 173.768,931 118.03,932 88.153,933 44.273,935 282.506,936 168.48,937 149.803,940 282.506,941 22.726,942 110.904,943 52.194,944 132.459,945 282.506,946 168.48,947 149.803,949 0.563,950 0.281,951 0.158,952 0.088,953 15,954 8,955 0.172,956 10,958 1,959 4.02,960 244.118,962 12,963 142.452,968 23.126,969 11.138,970 8.405,972 168.48,973 15.103,974 4.207,978 2.678,980 78.705,981 600.79,982 42,987 10.805,989 2.038,990 4.495,991 0.545,994 56.883,995 64.478,996 0.26,997 0.653,998 0.811,999 0.876,1000 0.882,1001 0.882,1002 4.984,1003 1.398,1004 5.753,1005 3.728,1006 4.419,1007 4.934,1008 2.745,1009 6.515,1010 4.363,1011 6.191,1012 1.195,1013 7.28,1014 2.947,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.038,1020 7.485,1021 1.023,1022 8.918,1023 2.623,1024 6.009,1025 6.999,1026 3.836,1027 10.498,1028 5.904,1029 8.809,1030 1,1031 10.624,1032 2.136,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.357,1038 10.158,1039 0.804,1040 12.373,1041 1.925,1042 7.905,1043 9.327,1044 5.275,1045 14.86,1046 7.757,1047 11.527,1048 0.122,1049 14.151,1050 1.754,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.559,1056 12.912,1057 -0.057,1058 15.949,1059 0.279,1060 9.967,1061 11.801,1062 6.873,1063 19.385,1064 9.776,1065 3.141,1066 -0.341,1067 17.763,1068 -0.162,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.741,1074 3.026,1075 10.235,1076 19.588,1077 -0.617,1078 12.118,1079 14.366,1080 8.533,1081 23.978,1082 11.885,1083 2.586,1084 10.191,1085 21.421,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.924,1092 2.241,1093 7.657,1094 23.262,1095 3.533,1096 14.319,1097 16.991,1098 10.218,1099 28.601,1100 14.041,1101 2.231,1102 6.465,1103 25.107,1104 3.375,1105 15.416,1106 18.236,1107 11.051,1108 30.911,1109 15.114,1110 1.956,1111 5.482,1112 26.957,1113 2.865,1114 16.546,1115 19.657,1116 11.913,1117 33.237,1118 16.221,1119 1.577,1120 5.182,1121 28.811,1122 2.709,1123 17.66,1124 20.952,1125 12.756,1126 35.554,1127 17.31,1128 10752,1129 18634,1130 19.761,1131 37.313,1132 46.496,1133 48.164,1134 45.658,1135 44.675,1136 44.602,1137 58.1,1138 10.181,1139 121.204,1140 43.308,1141 5.221,1142 5.922,1143 6.31,1144 5.14,1145 5.141,1146 6.988,1147 3.925,1148 17.041,1149 5.03,1150 18.283,1151 1.5,1152 1.554,1153 1.473,1154 1.441,1155 1.439,1156 1.874,1157 0.328,1158 3.91,1159 1.397,1160 4.012,1161 4.044,1162 3.96,1163 3.95,1164 7.474,1165 3.948,1166 3.824,1167 3.876,1168 3.761,1169 3.716,1170 6.826,1171 3.719,1172 3.746,1173 3.801,1174 3.652,1175 3.604,1176 6.351,1177 3.604,1178 3.695,1179 3.739,1180 3.578,1181 3.549,1182 4.929,1183 3.544,1184 3.449,1185 3.526,1186 3.361,1187 3.24,1188 4.802,1189 3.258,1190 3.373,1191 3.406,1192 3.29,1193 3.164,1194 4.626,1195 3.196,1196 3.078,1197 3.146,1198 2.996,1199 2.855,1200 4.249,1201 2.88,1202 3.007,1203 3.058,1204 2.889,1205 2.814,1206 4.119,1207 2.826,1208 0.142,1209 0.127,1210 0.21,1211 0.132,1212 0.101,1213 4.394,1214 0.129,1215 3.922,1216 0.076,1217 6.509,1218 0.33,1219 4.104,1220 0.098,1221 3.141,1222 3.988,1223 2.341,1224 10.235,1225 3.03,1226 1.978,1227 1.954,1228 2.075,1229 2.061,1230 1.283,1231 2.066,1232 1.798,1233 1.759,1234 1.969,1235 1.952,1236 1.143,1237 1.955,1238 1.727,1239 1.667,1240 1.918,1241 1.879,1242 1.119,1243 1.895,1244 1.677,1245 1.627,1246 1.887,1247 1.854,1248 0.942,1249 1.868,1250 1.359,1251 1.311,1252 1.535,1253 1.625,1254 0.674,1255 1.596,1256 1.3,1257 1.237,1258 1.45,1259 1.53,1260 0.469,1261 1.517,1262 0.992,1263 0.948,1264 1.417,1265 1.253,1266 0.469,1267 1.308,1268 0.953,1269 0.888,1270 1.417,1271 1.239,1272 0.39,1273 1.308,1274 4.143,1276 5.425,1278 6.876,1280 8.41,1282 9.991,1284 5.847,1289 8.878,1290 1.331,1291 5.746,1296 -0.352,1298 9.023,1299 1.906,1300 35.331,1301 86.441,1302 217.077,1303 269.681,1304 291.191,1305 293.191,1306 293.191,1307 75.285,1308 6.858,1309 110.4,1310 110.4,1311 12,1312 12.231,1313 4.087,1314 3.585,1315 68.748,1316 122,1317 130,1318 0.268,1319 226.37,1320 403.48,1321 544.103,1322 7535,1324 21.985,1325 0.733,1326 0.584,1327 21.985,1328 17.515,1329 14.281,1330 0.461,1331 0.314,1332 9.629,1333 13.807,1334 9.255,1335 7.834,1336 14.281,1337 9.731,1338 13.188,1339 0.322,1340 0.188,1341 13.188,1342 7.719,1343 8.518,1344 0.189,1345 0.088,1346 8.518,1347 3.974,1348 7.336,1349 0.126,1350 0.048,1351 7.336,1352 2.801,1353 5.563,1354 0.082,1355 0.026,1356 5.563,1357 1.788,1358 0.419,1359 88.938,1360 0.225,1361 28.387,1362 0.739,1363 144,1364 427.486,1365 156.893,1366 424.999,1367 563.29,1368 392,1369 158,1370 401.512,1371 167.985,1372 412.848,1373 580.28,1374 384,1375 8.398} {0 CHEMBL281621,1 1.551,2 10.966,3 3.643,4 13.273,5 112.209,6 7.49,7 0.387,8 4.032,9 4.155,10 3.588,11 3.578,12 5.218,13 3.558,14 4.499,15 4.675,16 3.825,17 3.897,18 5.682,19 3.83,20 4.752,21 4.987,22 3.839,23 4.009,24 5.748,25 3.922,26 4.751,27 4.972,28 3.915,29 4.043,30 5.8,31 3.962,32 4.811,33 5.02,34 3.96,35 4.136,36 5.894,37 4.055,38 4.906,39 5.135,40 3.974,41 4.191,42 5.931,43 4.085,44 4.909,45 5.152,46 3.893,47 4.13,48 5.943,49 4.015,50 4.85,51 5.109,52 3.847,53 3.979,54 5.93,55 3.884,56 0.046,57 0.771,58 10.233,59 4.46,60 15.624,61 5.858,62 0.262,63 1.16,64 17.904,65 7.469,66 47.39,67 10.153,68 0.298,69 1.368,70 25.867,71 9.028,72 52.231,73 12.805,74 0.255,75 1.403,76 25.067,77 9.398,78 49.536,79 13.202,80 0.287,81 1.519,82 26.079,83 9.426,84 54.458,85 13.172,86 0.214,87 1.629,88 29.204,89 11.167,90 50.809,91 15.957,92 0.267,93 1.605,94 29.934,95 10.779,96 58.123,97 15.591,98 0.24,99 1.427,100 29.513,101 10.018,102 51.432,103 14.579,104 21,105 40,106 0.258,107 0.644,108 0.803,109 0.889,110 0.895,111 0.895,112 3.408,113 0.928,114 -4.08,115 -4.03,116 -3.81,118 42.3,120 5,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,176 1,177 5,180 14,181 1,186 3,191 3,194 14,195 1,198 7,201 2,203 7,206 13,207 1,210 6,215 5,218 12,219 1,222 9,227 5,229 12,230 2,234 8,237 1,239 6,242 8,243 3,247 7,248 1,252 6,255 5,256 2,258 2,259 6,262 2,264 4,265 1,267 4,268 1,270 1575,271 19.853,272 19.853,273 19.853,274 19.853,275 19.853,276 17.598,277 19.554,278 12.369,279 20.168,280 15.347,281 15.347,282 15.347,283 15.347,284 15.347,285 11.976,286 23.953,287 5.874,288 15.825,289 4.149,290 1.824,291 0.866,292 0.346,293 0.308,294 0.308,295 4.084,299 1,300 1,301 664,302 4.359,303 63.179,306 221.158,313 1.762,314 26.086,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 62.5,326 318,327 4.393,328 3.928,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.034,337 3.596,338 5.72,339 3.726,340 2.776,341 3.505,342 1.473,343 8.105,344 2.644,345 3.83,346 3.125,347 5.481,348 3.51,349 2.534,350 3.168,351 0.981,352 7.335,353 2.472,354 3.573,355 3.018,356 5.179,357 3.237,358 2.233,359 2.802,360 0.247,361 6.342,362 2.219,363 3.551,364 2.65,365 4.853,366 3.18,367 2.224,368 2.707,370 5.456,371 2.119,372 3.47,373 2.394,374 4.659,375 2.92,376 1.957,377 2.546,379 5.182,380 1.877,381 3.214,382 2.079,383 4.114,384 2.565,385 1.578,386 2.167,388 3.728,389 1.554,390 2.966,391 1.848,392 3.564,393 2.377,394 1.398,395 1.793,397 2.947,398 1.365,399 2.725,400 1.478,401 3.496,402 2.185,403 1.195,404 1.679,406 2.623,407 1.182,408 2.636,409 1.21,410 3.261,411 1.957,412 1.045,413 1.58,415 2.136,416 0.954,417 2.5,418 1.101,419 3.247,420 1.956,421 1,422 1.5,424 1.926,425 0.951,426 2.204,427 1,428 3.191,429 1.801,430 0.804,431 1.062,433 1.822,434 0.799,435 1.491,436 0.777,437 3.005,438 1.188,439 0.25,440 0.266,442 0.629,443 0.234,444 1.301,445 0.586,446 2.591,447 1.122,448 0.122,449 0.136,451 0.278,452 0.121,453 1.275,454 0.418,455 2.307,456 0.742,457 -0.192,458 -0.272,460 -0.389,461 -0.178,462 13.667,463 0.471,464 0.52,465 0.018,466 38.25,467 1.319,468 20,469 0.69,470 18.25,471 0.629,472 22.59,473 0.779,474 30.733,475 0.591,476 28.859,477 0.995,478 7.434,479 0.256,480 6.718,481 0.232,482 0.078,484 0.256,487 0.85,488 1.249,489 0.813,490 1.031,491 0.625,492 0.933,493 0.453,494 1.098,495 0.943,496 1.186,497 0.347,498 1.15,499 0.999,500 0.929,501 0.958,502 0.872,503 0.789,504 0.9,505 0.77,506 1.044,507 0.888,508 0.993,509 0.692,510 0.969,511 1.008,512 1.006,513 1.099,514 0.989,515 0.883,516 1.038,517 0.649,518 1.125,519 0.968,520 1.105,521 0.675,522 1.087,523 0.715,524 1.067,525 1.047,526 1.123,527 0.831,528 1.124,529 0.854,530 1.057,531 0.849,532 1.022,533 0.719,534 0.942,535 5,536 0.134,537 2.056,538 1.59,539 0.863,540 0.59,541 0.527,542 0.455,543 0.295,544 0.213,545 10480,546 31019,547 2.053,548 44.2,549 4,550 8,552 2,553 3,554 2,555 4,558 1.726,559 1.955,560 3.426,561 0.891,563 1,567 80.664,568 1.551,569 3.876,570 4.835,571 5.354,572 5.393,573 5.393,574 2.902,575 4.513,576 4.824,577 3.638,578 1477.06,579 8.44,580 20719.6,582 1,584 1,585 296.423,586 1.233,587 4.804,588 0.161,589 0.005,590 0.056,591 0.042,592 0.021,593 0.014,594 0.012,595 0.012,596 0.008,597 0.007,598 0.338,599 0.33,600 1,601 1.541,602 148.134,603 -0.093,604 -0.078,605 0.014,606 0.021,607 -0.003,608 0.031,609 0.278,610 -0.008,611 -0.063,612 -0.16,613 0.229,614 -0.169,615 -0.128,616 0.064,617 0.006,618 0.12,619 -0.081,620 0.091,621 0.011,622 -0.039,623 0.051,624 0.018,625 -0.015,626 0.031,627 -0.191,628 0.054,629 -0.176,630 0.004,631 -0.137,632 -0.066,633 -0.027,634 -0.129,635 -0.043,636 -0.084,637 -0.044,638 -0.07,639 -0.029,640 -0.069,641 -0.1,642 -0.132,643 -0.078,644 -0.124,645 0.028,646 -0.124,647 0.151,648 -0.04,649 0.095,650 0.062,651 2.458,652 3.786,653 0.517,654 31.631,655 1.002,656 1.128,657 2.85,658 8.124,659 0.669,660 3.466,661 3.714,662 3.85,663 4.078,664 4.263,665 4.29,666 4.407,667 4.489,668 4.489,669 4.5,670 6.881,671 0.64,672 389.5,673 3.466,674 4.963,675 5.771,676 6.616,677 7.447,678 8.302,679 9.144,680 10.003,681 10.851,682 11.714,683 9.6,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 52,726 16,727 1,728 31,730 54,731 22,733 11,734 2,735 4,736 2,739 3,740 3,743 1,748 3,751 6,752 1,753 15,754 6,756 3,761 1,763 1,764 1,765 3,769 1,772 23,773 7,774 3,775 7,779 5,784 1,785 2,795 1,799 1,802 2,818 1,822 1,823 1,826 1,830 1,832 3,840 29,845 1,846 5,847 2,850 1,853 1,858 1,860 1,862 3.8,864 1,865 1,869 14.833,870 9.05,871 6.639,872 3.174,874 2.459,875 1.356,876 0.944,877 7.382,878 9.372,879 3.761,880 4.234,881 4.673,882 5.197,883 5.674,884 5.86,885 6.246,886 6.568,887 6.801,888 7.05,889 1,890 38,891 10.647,893 4.39,894 7.891,895 20.207,897 16.172,899 2.391,900 69.333,902 1,903 1,904 235.422,905 128.397,906 100.652,908 67.828,911 128.397,912 303.25,913 100.652,915 12.673,916 84.344,917 143.25,918 78.253,919 1.899,920 211.88,922 235.422,923 229.049,924 67.828,927 188.338,928 114.913,931 96.623,932 88.153,933 44.273,935 235.422,936 168.48,937 128.397,940 235.422,941 27.795,942 84.429,943 52.194,944 132.459,945 235.422,946 168.48,947 128.397,949 0.555,950 0.287,951 0.16,952 0.088,953 16,954 7,955 0.185,956 10,958 1,959 4.142,960 237.414,962 15,963 138.881,968 20.575,969 10.405,970 7.063,972 168.48,973 15.19,974 4.207,978 2.744,980 78.705,981 532.299,982 42,987 10.786,989 2.047,990 3.829,991 0.64,994 52.116,995 58.647,996 0.272,997 0.68,998 0.848,999 0.939,1000 0.946,1001 0.946,1002 4.97,1003 1.398,1004 5.707,1005 3.728,1006 4.394,1007 4.92,1008 2.745,1009 6.431,1010 4.34,1011 6.154,1012 1.195,1013 7.206,1014 2.947,1015 3.892,1016 4.494,1017 2.331,1018 7.235,1019 3.827,1020 7.429,1021 1.045,1022 8.807,1023 2.623,1024 5.911,1025 6.964,1026 3.86,1027 10.263,1028 5.81,1029 8.731,1030 1,1031 10.471,1032 2.136,1033 6.196,1034 7.304,1035 4.148,1036 11.911,1037 6.092,1038 10.06,1039 0.804,1040 12.178,1041 1.926,1042 7.693,1043 9.272,1044 5.3,1045 14.47,1046 7.559,1047 11.409,1048 0.25,1049 13.914,1050 1.822,1051 8.363,1052 10.023,1053 5.904,1054 16.485,1055 8.229,1056 12.774,1057 0.122,1058 15.672,1059 0.629,1060 9.628,1061 11.734,1062 6.888,1063 18.883,1064 9.472,1065 3.03,1066 -0.192,1067 17.449,1068 0.278,1069 10.498,1070 12.73,1071 7.631,1072 21.064,1073 10.344,1074 2.776,1075 10.225,1076 19.239,1077 -0.389,1078 11.657,1079 14.296,1080 8.541,1081 23.406,1082 11.488,1083 2.534,1084 8.105,1085 21.042,1086 3.988,1087 12.632,1088 15.443,1089 9.345,1090 25.663,1091 12.465,1092 2.233,1093 7.335,1094 22.854,1095 3.505,1096 13.745,1097 16.924,1098 10.222,1099 27.988,1100 13.57,1101 2.224,1102 6.342,1103 24.675,1104 3.168,1105 14.775,1106 18.163,1107 11.052,1108 30.279,1109 14.602,1110 1.957,1111 5.456,1112 26.503,1113 2.802,1114 15.87,1115 19.596,1116 11.914,1117 32.6,1118 15.693,1119 1.578,1120 5.182,1121 28.337,1122 2.707,1123 16.929,1124 20.891,1125 12.756,1126 34.907,1127 16.754,1128 10322,1129 17865,1130 20.86,1131 34.79,1132 45.949,1133 47.652,1134 45.478,1135 44.314,1136 44.293,1137 57.795,1138 10.085,1139 117.466,1140 43.018,1141 5.349,1142 5.928,1143 6.31,1144 5.087,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 12.865,1151 1.482,1152 1.537,1153 1.467,1154 1.429,1155 1.429,1156 1.864,1157 0.325,1158 3.789,1159 1.388,1160 4.016,1161 4.05,1162 3.962,1163 3.95,1164 7.474,1165 3.949,1166 3.891,1167 3.948,1168 3.794,1169 3.76,1170 6.832,1171 3.757,1172 3.799,1173 3.841,1174 3.723,1175 3.709,1176 6.351,1177 3.708,1178 3.695,1179 3.74,1180 3.58,1181 3.549,1182 4.927,1183 3.544,1184 3.49,1185 3.557,1186 3.449,1187 3.266,1188 4.784,1189 3.303,1190 3.373,1191 3.403,1192 3.29,1193 3.189,1194 4.569,1195 3.212,1196 3.057,1197 3.113,1198 2.973,1199 2.846,1200 4.251,1201 2.866,1202 2.992,1203 3.053,1204 2.884,1205 2.795,1206 4.176,1207 2.81,1208 0.142,1209 0.127,1210 0.21,1211 0.13,1212 0.098,1213 4.393,1214 0.129,1215 3.928,1216 0.076,1217 6.508,1218 0.33,1219 4.026,1220 0.097,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.977,1227 1.953,1228 2.074,1229 2.058,1230 1.283,1231 2.065,1232 1.792,1233 1.756,1234 1.924,1235 1.92,1236 1.125,1237 1.92,1238 1.678,1239 1.629,1240 1.887,1241 1.856,1242 0.944,1243 1.868,1244 1.464,1245 1.395,1246 1.593,1247 1.728,1248 0.825,1249 1.694,1250 1.322,1251 1.286,1252 1.523,1253 1.533,1254 0.824,1255 1.522,1256 1.153,1257 1.064,1258 1.513,1259 1.376,1260 0.674,1261 1.429,1262 1.099,1263 1.025,1264 1.299,1265 1.351,1266 0.37,1267 1.34,1268 0.984,1269 0.944,1270 1.218,1271 1.225,1272 0.302,1273 1.214,1274 4.143,1275 1.946,1276 5.407,1277 3.714,1278 6.858,1279 5.416,1280 8.396,1281 7.101,1282 9.984,1289 8.865,1290 3.52,1291 6.385,1294 0.373,1298 8.924,1299 1.823,1300 33.278,1301 80.664,1302 201.575,1303 251.403,1304 278.423,1305 280.423,1306 280.423,1307 55.36,1308 6.913,1309 110.4,1310 110.4,1311 15,1312 12.266,1313 4.087,1314 3.585,1315 52.105,1316 115,1317 123,1318 0.212,1319 209.384,1320 373.82,1321 502.658,1322 8232,1324 20.476,1325 0.706,1326 0.552,1327 20.476,1328 16.006,1329 14.152,1330 0.457,1331 0.309,1332 9.482,1333 13.683,1334 9.313,1335 7.752,1336 14.152,1337 9.586,1338 12.102,1339 0.303,1340 0.171,1341 12.102,1342 6.83,1343 8.692,1344 0.189,1345 0.09,1346 8.692,1347 4.143,1348 7.205,1349 0.124,1350 0.048,1351 7.205,1352 2.809,1353 5.677,1354 0.081,1355 0.027,1356 5.677,1357 1.86,1358 0.332,1359 88.192,1360 0.219,1361 27.702,1362 0.584,1363 142,1364 425.486,1365 154.56,1366 420.789,1367 561.35,1368 390,1369 160,1370 401.23,1371 170.152,1372 409.064,1373 580.88,1374 384,1375 6.42} {0 CHEMBL281646,1 1.706,2 7.833,3 2.002,4 4.01,5 70.904,6 8.199,7 0.5,8 3.586,9 3.686,10 3.297,11 3.197,12 4.687,13 3.144,14 4.133,15 4.288,16 3.7,17 3.647,18 5.261,19 3.55,20 4.368,21 4.555,22 3.58,23 3.727,24 5.298,25 3.563,26 4.416,27 4.636,28 3.481,29 3.631,30 5.42,31 3.462,32 4.119,33 4.323,34 3.379,35 3.396,36 5.186,37 3.25,38 3.983,39 4.222,40 3.209,41 3.127,42 4.995,43 3.033,44 3.702,45 3.937,46 2.719,47 2.932,48 4.568,49 2.812,50 3.758,51 4.007,52 2.547,53 2.778,54 4.82,55 2.652,56 0.039,57 0.474,58 6.407,59 3.204,60 7.746,61 3.733,62 0.225,63 0.812,64 13.113,65 5.684,66 35.905,67 6.823,68 0.186,69 0.956,70 22.521,71 8.389,72 28.561,73 9.722,74 0.318,75 0.935,76 24.522,77 8.456,78 47.375,79 9.612,80 0.189,81 0.717,82 18.275,83 6.322,84 28.956,85 7.259,86 0.218,87 0.614,88 15.594,89 4.689,90 21.253,91 5.712,92 0.086,93 0.472,94 9.631,95 3.542,96 11.037,97 4.722,98 0.267,99 0.462,100 10.147,101 3.235,102 29.227,103 4.342,104 6,105 28,106 0.321,107 0.702,108 0.869,109 0.893,110 0.893,111 0.893,112 2.961,113 1.024,114 -3.15,115 -3.14,116 -3.02,118 40.6,120 3,121 1,124 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 1,175 1,177 1,180 8,181 2,186 4,191 2,194 6,195 2,198 3,203 2,206 2,207 1,210 5,215 1,219 1,222 4,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.773,277 16.877,278 7.196,279 12.53,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.771,286 23.457,287 3.463,288 10.514,289 3.294,290 1.267,291 0.375,292 0.25,293 0.25,294 0.25,295 3.637,298 1,299 1,300 1,301 305,302 2.55,305 81.872,306 44.311,309 66.845,313 1.407,314 16.616,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 141,327 4.369,328 3.736,329 6.307,330 4.001,331 3.047,332 4.016,333 2.341,334 9.682,335 2.92,336 3.944,337 3.197,338 5.85,339 3.625,340 2.666,341 3.478,342 0.522,343 8.029,344 2.538,345 3.818,346 2.763,347 5.486,348 3.43,349 2.493,350 3.016,352 7.308,353 2.319,354 3.275,355 2.211,356 4.912,357 2.873,358 1.933,359 2.496,361 5.609,362 1.795,363 2.767,364 1.949,365 4.432,366 2.477,367 1.523,368 1.83,370 4.338,371 1.436,372 2.591,373 1.766,374 3.786,375 2.232,376 1.247,377 1.608,379 2.917,380 1.204,381 2.485,382 1.206,383 3.413,384 2.035,385 1.112,386 1.417,388 2.504,389 1.02,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.634,400 0.57,401 3,402 1.314,403 0.392,404 0.473,406 1.025,407 0.352,408 1.016,409 0.375,410 2.679,411 0.717,412 -0.217,413 -0.26,415 -0.623,416 -0.201,417 0.571,418 0.067,419 2.318,420 0.263,421 -0.705,422 -0.792,424 -1.978,425 -0.657,426 0.348,427 -0.349,428 2,429 0.055,430 -0.919,431 -1.016,433 -2,434 -0.878,435 0.252,436 -0.67,437 1.793,438 -0.024,439 -1,440 -1.35,442 -2.673,443 -0.975,444 0.038,445 -1.081,446 1.51,447 -0.37,448 -1.306,449 -1.579,451 -3.254,452 -1.218,453 -0.118,454 -1.241,455 1.175,456 -0.679,457 -1.618,458 -1.91,460 -4.372,461 -1.402,462 8.8,463 0.489,464 0.452,465 0.025,466 21.25,467 1.181,468 9.5,469 0.528,470 11.75,471 0.653,472 14.62,473 0.812,474 19.4,475 0.606,476 11.573,477 0.643,478 3.867,479 0.215,480 4.853,481 0.27,482 0.076,484 0.33,487 0.786,488 1.208,489 0.724,490 0.896,491 0.662,492 0.886,493 0.55,494 0.857,495 0.824,496 0.819,497 0.366,498 0.895,499 0.785,500 1.202,501 1.355,502 1.388,503 0.82,504 1.27,505 1.223,506 0.959,507 1.254,508 1.089,509 1.269,510 1.057,511 1.017,512 1.122,513 1.184,514 1.195,515 1.05,516 1.036,517 0.984,518 0.989,519 0.827,520 0.96,521 0.924,522 0.853,523 0.623,524 1.116,525 0.828,526 0.996,527 0.499,528 1.079,529 1.133,530 0.871,531 0.825,532 0.743,533 1.33,534 1.051,535 4,536 0.04,537 1.556,538 1.326,539 0.608,540 0.581,541 0.274,542 0.101,543 0.099,544 0.055,545 2938,546 8962,547 2.12,548 43.8,549 4,550 3,551 1,552 2,553 1,554 3,558 1.583,559 2,560 3.003,561 -0.225,563 1,564 1,565 1,567 54.591,568 1.706,569 3.733,570 4.625,571 4.75,572 4.75,573 4.75,574 2.489,575 3.392,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 160,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.058,592 0.03,593 0.032,594 0.018,595 0.009,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.383,603 -0.076,604 -0.11,605 0.056,606 0.055,607 -0.031,608 0.039,609 0.142,610 0.238,611 0.059,612 0.154,613 0.204,614 0.049,615 -0.066,616 -0.214,617 -0.232,618 -0.258,619 -0.084,620 -0.247,621 -0.178,622 -0.024,623 -0.135,624 -0.021,625 -0.159,626 -0.054,627 -0.057,628 -0.167,629 -0.015,630 -0.076,631 -0.038,632 -0.018,633 0.012,634 -0.023,635 0.163,636 -0.025,637 -0.004,638 0.111,639 0.001,640 -0.169,641 -0.065,642 -0.161,643 -0.002,644 -0.108,645 0.035,646 0.042,647 -0.117,648 -0.023,649 -0.174,650 -0.154,651 2.331,652 4.018,653 0.778,654 13.136,655 1.007,656 1.12,657 1.921,658 3.69,659 0.692,660 3.045,661 3.367,662 3.611,663 3.871,664 3.989,665 4.111,666 4.263,667 4.304,668 4.22,669 4.174,670 4.841,671 0.651,672 262.36,673 3.045,674 4.575,675 5.416,676 6.29,677 7.151,678 8.029,679 8.899,680 9.779,681 10.654,682 11.536,683 6.3,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 32,726 11,728 20,730 34,731 13,733 7,739 3,740 4,748 3,749 1,751 3,753 8,754 5,755 1,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,830 1,832 2,834 1,840 18,845 1,846 4,850 1,856 1,862 6.3,864 1,865 1,869 9,870 5.6,871 3.889,872 1.924,874 1.814,875 1.279,876 0.965,877 3.205,878 8.314,879 3.296,880 3.861,881 4.347,882 4.876,883 5.029,884 5.358,885 5.78,886 6.062,887 6.204,888 6.322,889 1,890 23,891 6.669,893 2.89,894 7.824,895 12.868,897 10.992,899 2.324,900 41.833,901 0.002,904 153.024,905 83.989,906 18.685,908 67.828,910 31.278,911 52.711,912 220.853,913 18.685,915 9.709,916 18.524,917 117.684,918 14.132,919 14.488,920 148.989,922 153.024,923 71.396,924 67.828,925 31.278,927 153.024,928 67.828,931 29.274,932 25.336,933 16.786,934 31.278,935 153.024,936 86.513,937 83.989,940 153.024,941 47.799,942 38.089,944 84.614,945 153.024,946 86.513,947 83.989,949 0.584,950 0.331,951 0.174,952 0.085,953 15,954 6,955 0.088,956 3,957 1,958 1.143,959 3.138,960 129.108,961 0.143,962 14,963 75.059,964 1,968 11.908,969 4.845,970 2.513,972 84.614,973 7.681,974 4.025,977 1.806,978 3.875,979 2.034,980 42.683,981 323.526,982 26,987 11.018,991 -0.664,994 32.236,995 35.827,996 0.341,997 0.747,998 0.925,999 0.95,1000 0.95,1001 0.95,1002 4.527,1003 0.618,1004 5.398,1005 2.504,1006 4.043,1007 4.543,1008 2.313,1009 6.18,1010 3.932,1011 5.716,1012 0.392,1013 6.936,1014 1.372,1015 3.611,1016 4.29,1017 2.243,1018 6.974,1019 3.451,1020 7.009,1021 -0.217,1022 8.569,1023 1.025,1024 5.609,1025 6.646,1026 3.632,1027 10.042,1028 5.402,1029 8.334,1030 -0.705,1031 10.255,1032 -0.623,1033 5.994,1034 7.25,1035 4.112,1036 11.648,1037 5.732,1038 9.69,1039 -0.919,1040 11.975,1041 -1.978,1042 7.449,1043 9.029,1044 5.202,1045 14.199,1046 7.155,1047 11.066,1048 -1,1049 13.718,1050 -2,1051 8.204,1052 10.03,1053 5.889,1054 16.154,1055 7.855,1056 12.457,1057 -1.306,1058 15.476,1059 -2.673,1060 9.441,1061 11.571,1062 6.849,1063 18.517,1064 9.062,1065 3.047,1066 -1.618,1067 17.247,1068 -3.254,1069 10.37,1070 12.765,1071 7.625,1072 20.633,1073 9.94,1074 2.666,1075 9.682,1076 19.026,1077 -4.372,1078 11.517,1079 14.206,1080 8.526,1081 22.926,1082 11.056,1083 2.493,1084 8.029,1085 20.813,1086 4.016,1087 12.531,1088 15.494,1089 9.342,1090 25.118,1091 12.022,1092 1.933,1093 7.308,1094 22.607,1095 3.478,1096 13.644,1097 16.894,1098 10.216,1099 27.386,1100 13.101,1101 1.523,1102 5.609,1103 24.405,1104 3.016,1105 14.699,1106 18.229,1107 11.051,1108 29.615,1109 14.112,1110 1.247,1111 4.338,1112 26.207,1113 2.496,1114 15.8,1115 19.615,1116 11.912,1117 31.877,1118 15.176,1119 1.112,1120 2.917,1121 28.014,1122 1.83,1123 16.878,1124 20.973,1125 12.755,1126 34.124,1127 16.211,1128 2861,1129 5062,1130 13.523,1131 22.137,1132 30.602,1133 30.402,1134 30.255,1135 30.07,1136 30.063,1137 38.52,1138 5.725,1139 85.566,1140 28.323,1141 5.313,1142 5.578,1143 5.921,1144 5.13,1145 5.047,1146 6.677,1147 3.925,1148 16.094,1149 4.92,1150 7.237,1151 1.53,1152 1.52,1153 1.513,1154 1.503,1155 1.503,1156 1.926,1157 0.286,1158 4.278,1159 1.416,1160 4.039,1161 4.068,1162 4.276,1163 4.033,1164 7.474,1165 3.976,1166 3.867,1167 3.922,1168 3.82,1169 3.673,1170 6.351,1171 3.699,1172 3.552,1173 3.563,1174 3.6,1175 3.456,1176 4.959,1177 3.432,1178 3.196,1179 3.241,1180 3.066,1181 2.994,1182 4.608,1183 2.992,1184 2.99,1185 3.063,1186 2.908,1187 2.808,1188 3.932,1189 2.799,1190 2.795,1191 2.85,1192 2.729,1193 2.546,1194 3.59,1195 2.542,1196 2.477,1197 2.575,1198 2.311,1199 2.289,1200 3.453,1201 2.272,1202 2.366,1203 2.485,1204 2.266,1205 2.152,1206 3.327,1207 2.113,1208 0.218,1209 0.187,1210 0.315,1211 0.2,1212 0.152,1213 4.369,1214 0.201,1215 3.736,1216 0.117,1217 6.307,1218 0.484,1219 4.001,1220 0.146,1221 3.047,1222 4.016,1223 2.341,1224 9.682,1225 2.92,1226 1.864,1227 1.833,1228 2.023,1229 1.98,1230 1.398,1231 1.998,1232 1.666,1233 1.625,1234 1.786,1235 1.847,1236 1.053,1237 1.845,1238 1.335,1239 1.286,1240 1.515,1241 1.527,1242 0.758,1243 1.522,1244 1.247,1245 1.233,1246 1.456,1247 1.466,1248 0.602,1249 1.458,1250 1.231,1251 1.177,1252 1.371,1253 1.428,1254 0.492,1255 1.424,1256 0.989,1257 0.927,1258 1.179,1259 1.151,1260 0.305,1261 1.206,1262 0.658,1263 0.628,1264 0.938,1265 0.998,1266 0.056,1267 1.005,1268 0.471,1269 0.363,1270 0.886,1271 0.739,1273 0.816,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.273,1282 9.702,1289 9.069,1290 3.189,1294 -0.201,1300 20.82,1301 54.591,1302 119.471,1303 148,1304 152,1305 152,1306 152,1307 26.372,1308 6.5,1309 55.12,1310 83.36,1311 16,1312 12.072,1313 3.585,1314 2.807,1315 25.837,1316 54,1317 40,1318 0.253,1319 131.366,1320 219.47,1321 312.292,1322 4840,1324 12.535,1325 0.696,1326 0.594,1327 12.889,1328 10.69,1329 8.72,1330 0.436,1331 0.341,1332 6.009,1333 7.937,1334 5.818,1335 4.762,1336 9.129,1337 6.828,1338 8.061,1339 0.288,1340 0.211,1341 8.73,1342 5.895,1343 6.537,1344 0.182,1345 0.128,1346 7.29,1347 4.603,1348 5.43,1349 0.116,1350 0.078,1351 6.275,1352 3.659,1353 3.874,1354 0.073,1355 0.05,1356 4.641,1357 2.662,1358 0.389,1359 58.672,1360 0.272,1361 18.11,1362 0.709,1363 96,1364 282.036,1365 129.576,1366 292.144,1367 390.05,1368 272,1369 112,1370 261.339,1371 141.505,1372 280.529,1373 405.74,1374 263,1375 7.066} {0 CHEMBL28196,1 1.378,2 9,3 3.634,4 13.203,5 83.707,6 7.034,7 0.545,8 3.742,9 3.854,10 3.243,11 3.339,12 4.876,13 3.291,14 4.226,15 4.39,16 3.495,17 3.683,18 5.383,19 3.593,20 4.497,21 4.728,22 3.468,23 3.784,24 5.436,25 3.657,26 4.462,27 4.693,28 3.433,29 3.754,30 5.387,31 3.624,32 4.478,33 4.696,34 3.479,35 3.79,36 5.439,37 3.664,38 4.56,39 4.803,40 3.404,41 3.786,42 5.506,43 3.636,44 4.495,45 4.765,46 3.198,47 3.655,48 5.342,49 3.477,50 4.317,51 4.598,52 3.036,53 3.425,54 5.184,55 3.254,56 0.032,57 0.505,58 8.304,59 3.921,60 8.004,61 5.097,62 0.161,63 0.805,64 14.295,65 6.324,66 34.598,67 8.558,68 0.168,69 0.999,70 20.176,71 8.288,72 35.539,73 11.351,74 0.149,75 0.969,76 19.378,77 8.033,78 31.097,79 11.048,80 0.141,81 0.998,82 19.444,83 8.097,84 31.635,85 11.101,86 0.178,87 1.081,88 21.641,89 8.521,90 38.762,91 11.91,92 0.155,93 0.999,94 20.599,95 8.075,96 31.339,97 11.517,98 0.114,99 0.816,100 17.424,101 6.757,102 22.156,103 9.653,104 11,105 27,106 0.245,107 0.57,108 0.729,109 0.834,110 0.877,111 0.877,112 3.102,113 0.975,114 -4.16,115 -4.1,116 -3.88,118 45,120 4,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 15,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 15,219 1,222 4,227 1,229 12,230 1,234 3,239 1,242 8,243 2,247 3,252 2,255 4,256 3,259 3,260 1,264 3,267 1,268 3,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.496,277 5.568,278 9.19,279 14.434,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.255,286 1.893,287 4.421,288 11.014,289 3.944,290 2.122,291 1.229,292 0.638,293 0.4,294 0.4,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 15.528,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 189,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.222,354 3.278,355 1.986,356 4.22,357 2.792,358 1.802,359 2.579,361 4.049,362 1.781,363 2.781,364 1.646,365 3.654,366 2.548,367 1.555,368 1.908,370 3.193,371 1.541,372 2.748,373 1.317,374 3.555,375 2.3,376 1.317,377 1.768,379 2.88,380 1.293,381 2.5,382 1.305,383 3.319,384 2,385 1,386 1.5,388 2.252,389 1,390 2.5,391 1,392 3.247,393 1.999,394 1,395 1.5,397 2.136,398 0.995,399 2.389,400 1,401 3.247,402 1.955,403 1,404 1.288,406 2.136,407 0.953,408 1.652,409 0.726,410 2.804,411 1.444,412 0.445,413 0.52,415 1.01,416 0.442,417 0.959,418 0.423,419 2.198,420 0.739,421 -0.263,422 -0.286,424 -0.58,425 -0.26,426 0.719,427 0.026,428 2.191,429 0.277,430 -0.705,431 -0.952,433 -1.547,434 -0.688,435 0.578,436 -0.703,437 1.555,438 0.129,439 -0.878,440 -1.062,442 -1.954,443 -0.852,444 0.5,445 -0.705,446 1.555,448 -1,449 -1.386,451 -2,452 -0.973,453 0.5,454 -1,455 1.54,456 -0.017,457 -1,458 -1.5,460 -2.347,461 -0.982,462 10.067,463 0.479,464 0.315,465 0.015,466 27,467 1.286,468 15,469 0.714,470 12,471 0.571,472 14.666,473 0.698,474 22.333,475 0.558,476 17.736,477 0.845,478 5.429,479 0.259,480 4.842,481 0.231,482 0.066,484 0.199,487 0.748,488 1.092,489 0.864,490 1.016,491 0.706,492 0.966,493 0.455,494 1.135,495 0.984,496 1.134,497 0.413,498 1.122,499 0.843,500 0.927,501 0.964,502 0.936,503 0.88,504 0.964,505 0.763,506 0.958,507 0.96,508 0.967,509 0.779,510 0.988,511 0.782,512 1.073,513 1.029,514 1.057,515 0.8,516 1.073,517 0.822,518 1.071,519 1.092,520 1.065,521 0.76,522 1.1,523 0.633,524 1.028,525 1.023,526 1.047,527 0.595,528 1.072,529 0.597,530 0.983,531 0.883,532 1.011,533 0.592,534 0.981,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 12150,547 2.023,548 47.5,549 6,550 8,552 2,553 1,554 2,558 1.634,559 1.938,560 3.146,561 -0.385,563 1,565 1,567 55.108,568 1.378,569 3.2,570 4.093,571 4.684,572 4.922,573 4.922,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,581 1,582 1,583 1,584 1,585 212.877,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.83,600 1,601 1.787,602 95.963,603 -0.05,604 -0.003,605 0.008,606 0.038,607 -0.048,608 0.029,609 0.196,610 -0.081,611 -0.089,612 -0.113,613 0.211,614 -0.131,615 -0.07,616 0.045,617 -0.017,618 0.06,619 -0.083,620 0.032,621 -0.05,622 0.016,623 -0.02,624 0.031,625 -0.066,626 0.011,627 -0.066,628 -0.08,629 -0.097,630 -0.059,631 -0.093,632 -0.081,633 -0.083,634 -0.075,635 -0.142,636 -0.093,637 -0.066,638 -0.12,639 -0.02,640 -0.057,641 -0.071,642 -0.079,643 -0.033,644 -0.079,645 0.066,646 -0.038,647 0.086,648 -0.047,649 0.039,650 0.015,651 2.394,652 3.516,653 0.571,654 17.946,655 0.993,656 1.116,657 2.927,658 8.566,659 0.669,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.63,672 281.38,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 2.5,693 1,699 9,700 1,704 2,706 12,724 40,726 14,727 1,728 22,730 41,731 18,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 19,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 21,845 1,846 4,862 5,864 1,865 1,869 10.833,870 6.9,871 4.889,872 2.475,874 2.08,875 1.342,876 0.93,877 5.866,878 8.16,879 3.434,880 3.912,881 4.388,882 4.9,883 5.393,884 5.389,885 5.772,886 5.989,887 6.124,888 6.196,889 0.833,890 26,891 7.724,893 3.101,894 7.817,895 14.799,897 11.574,899 2.317,900 48.667,904 211.88,905 114.51,906 16.786,908 67.828,911 114.51,912 279.708,913 16.786,915 10.138,916 75.81,917 109.066,918 27.652,920 188.338,922 211.88,923 131.295,924 67.828,927 211.88,928 67.828,931 28.233,932 76.8,933 26.262,935 211.88,936 84.614,937 114.51,940 211.88,941 20.605,942 93.905,944 84.614,945 211.88,946 84.614,947 114.51,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.171,956 7,958 1,959 3.422,960 144.194,962 12,963 88.239,968 15.148,969 8.132,970 4.977,972 84.614,973 17.784,974 4.18,978 2.241,980 42.683,981 411.003,982 30,987 10.516,989 2.175,991 0.425,994 39.709,995 44.654,996 0.259,997 0.601,998 0.769,999 0.88,1000 0.925,1001 0.925,1002 4.585,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.595,1008 2.258,1009 5.964,1010 3.992,1011 5.732,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.977,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.635,1026 3.628,1027 9.798,1028 5.419,1029 8.261,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.582,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.963,1044 5.201,1045 14.116,1046 7.16,1047 10.931,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.303,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.446,1062 6.849,1063 18.633,1064 9.095,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 14.023,1080 8.526,1081 23.227,1082 11.149,1083 2.234,1084 6.4,1085 20.712,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.66,1098 10.216,1099 27.849,1100 13.271,1101 1.555,1102 4.049,1103 24.406,1104 2.711,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 3.193,1112 26.261,1113 2.579,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 4310,1129 7370,1130 14.792,1131 26.767,1132 31.732,1133 31.98,1134 31.811,1135 31.287,1136 31.277,1137 42.029,1138 4.682,1139 78.826,1140 30.976,1141 5.227,1142 5.596,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 8.506,1151 1.442,1152 1.454,1153 1.446,1154 1.422,1155 1.422,1156 1.91,1157 0.213,1158 3.583,1159 1.408,1160 3.996,1161 4.025,1162 3.939,1163 3.942,1164 7.474,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.705,1170 6.351,1171 3.702,1172 3.725,1173 3.774,1174 3.598,1175 3.586,1176 4.924,1177 3.578,1178 3.46,1179 3.494,1180 3.356,1181 3.301,1182 4.74,1183 3.305,1184 3.15,1185 3.184,1186 3.035,1187 2.972,1188 4.25,1189 2.981,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.924,1195 2.715,1196 2.823,1197 2.887,1198 2.641,1199 2.631,1200 3.794,1201 2.622,1202 2.766,1203 2.846,1204 2.615,1205 2.59,1206 3.674,1207 2.59,1208 0.199,1209 0.163,1210 0.295,1211 0.182,1212 0.137,1213 4.369,1214 0.179,1215 3.596,1216 0.106,1217 6.498,1218 0.462,1219 4.005,1220 0.136,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.083,1229 2.05,1230 1.326,1231 2.062,1232 1.784,1233 1.748,1234 1.958,1235 1.895,1236 1.147,1237 1.915,1238 1.717,1239 1.665,1240 1.903,1241 1.886,1242 0.944,1243 1.897,1244 1.42,1245 1.38,1246 1.644,1247 1.623,1248 0.834,1249 1.623,1250 1.102,1251 1.064,1252 1.326,1253 1.32,1254 0.462,1255 1.316,1256 0.886,1257 0.821,1258 1.181,1259 1.063,1260 0.218,1261 1.107,1262 0.791,1263 0.73,1264 1.097,1265 1.062,1266 0.217,1267 1.077,1268 0.755,1269 0.695,1270 1.044,1271 0.985,1272 0.11,1273 1.007,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1289 8.654,1290 2.692,1300 25.192,1301 55.108,1302 128.006,1303 163.716,1304 187.367,1305 196.877,1306 196.877,1307 35.808,1308 6.08,1309 50.19,1310 50.19,1311 12,1312 11.739,1313 3.907,1314 3.17,1315 39.153,1316 65,1317 79,1318 0.274,1319 160.013,1320 280.9,1321 382.193,1322 2704,1324 14.916,1325 0.71,1326 0.567,1327 14.916,1328 11.905,1329 10.271,1330 0.467,1331 0.325,1332 7.103,1333 10.047,1334 6.948,1335 5.819,1336 10.271,1337 7.149,1338 8.492,1339 0.315,1340 0.18,1341 8.492,1342 4.865,1343 6.33,1344 0.198,1345 0.102,1346 6.33,1347 3.251,1348 5.09,1349 0.131,1350 0.057,1351 5.09,1352 2.209,1353 4.034,1354 0.088,1355 0.032,1356 4.034,1357 1.466,1358 0.428,1359 63.28,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 279.53,1365 103.816,1366 275.414,1367 365.63,1368 256,1369 108,1370 254.779,1371 112.157,1372 261.214,1373 370.36,1374 246,1375 7.368} {0 CHEMBL282265,1 1.663,2 8.632,3 2.037,4 4.151,5 75.453,6 7.897,7 0.476,8 3.663,9 3.768,10 3.34,11 3.266,12 4.734,13 3.208,14 4.22,15 4.384,16 3.733,17 3.714,18 5.308,19 3.609,20 4.47,21 4.675,22 3.606,23 3.806,24 5.357,25 3.632,26 4.502,27 4.721,28 3.513,29 3.712,30 5.469,31 3.528,32 4.274,33 4.514,34 3.465,35 3.474,36 5.238,37 3.313,38 4.015,39 4.229,40 3.267,41 3.315,42 4.994,43 3.172,44 3.998,45 4.266,46 2.88,47 3.107,48 4.844,49 2.982,50 3.796,51 4.025,52 2.734,53 2.935,54 4.79,55 2.838,56 0.029,57 0.514,58 7.452,59 3.562,60 7.128,61 4.299,62 0.217,63 0.879,64 15.069,65 6.343,66 36.013,67 7.849,68 0.185,69 1.041,70 24.936,71 9.316,72 28.032,73 11.028,74 0.291,75 1.02,76 27.272,77 9.242,78 44.527,79 10.853,80 0.25,81 0.809,82 22.156,83 7.194,84 29.819,85 8.57,86 0.085,87 0.66,88 16.157,89 5.681,90 13.93,91 6.979,92 0.161,93 0.61,94 13.967,95 4.528,96 20.603,97 6.186,98 0.147,99 0.483,100 10.081,101 3.491,102 23.17,103 4.649,104 6,105 29,106 0.307,107 0.667,108 0.843,109 0.893,110 0.893,111 0.893,112 3.01,113 1.047,114 -3.41,115 -3.4,116 -3.25,118 40,120 4,121 1,124 1,140 1,141 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 10,181 2,186 2,191 2,194 7,195 1,198 4,203 1,206 4,207 2,210 3,215 2,218 2,219 1,222 5,227 1,230 1,234 4,239 1,247 2,248 1,258 1,259 2,262 1,270 397,271 12.878,272 12.878,273 12.878,274 12.878,275 12.878,276 11.48,277 15.045,278 7.645,279 13.244,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 8.228,286 13.87,287 3.668,288 11.001,289 3.466,290 1.509,291 0.557,292 0.286,293 0.286,294 0.286,295 3.688,298 1,299 1,300 1,301 354,302 2.739,305 91.207,306 48.898,309 73.735,313 1.546,314 16.994,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 164,327 4.361,328 3.736,329 6.303,330 3.994,331 3.041,332 4.008,333 2.341,334 9.665,335 2.908,336 3.925,337 3.181,338 5.844,339 3.606,340 2.633,341 3.478,343 7.975,344 2.546,345 3.838,346 2.685,347 5.376,348 3.45,349 2.525,350 3.021,352 7.043,353 2.327,354 3.328,355 2.386,356 5.08,357 2.986,358 2.036,359 2.536,361 6.053,362 1.911,363 2.767,364 1.963,365 4.432,366 2.464,367 1.524,368 1.83,370 4.338,371 1.41,372 2.661,373 1.777,374 3.788,375 2.269,376 1.301,377 1.713,379 2.94,380 1.248,381 2.51,382 1.345,383 3.511,384 2.164,385 1.202,386 1.437,388 2.733,389 1.141,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.693,400 0.608,401 3,402 1.43,403 0.468,404 0.557,406 1.111,407 0.446,408 1.63,409 0.494,410 2.964,411 1.302,412 0.39,413 0.47,415 1.016,416 0.348,417 0.621,418 0.375,419 2.335,420 0.365,421 -0.586,422 -0.651,424 -1.664,425 -0.546,426 0.467,427 -0.231,428 2.193,429 0.154,430 -0.83,431 -0.938,433 -2,434 -0.797,435 0.306,436 -0.476,437 2,438 -0.01,439 -0.963,440 -1.087,442 -2.278,443 -0.88,444 0.216,445 -0.747,446 1.572,447 -0.032,448 -1,449 -1.351,451 -2.744,452 -0.978,453 -0.039,454 -1.221,455 1.495,456 -0.465,457 -1.41,458 -1.678,460 -3.535,461 -1.317,462 9.3,463 0.489,464 0.452,465 0.024,466 21.75,467 1.145,468 9.5,469 0.5,470 12.25,471 0.645,472 16.274,473 0.857,474 20.7,475 0.591,476 11.724,477 0.617,478 3.892,479 0.205,480 5.328,481 0.28,482 0.072,484 0.312,487 0.782,488 1.225,489 0.745,490 0.928,491 0.659,492 0.921,493 0.545,494 0.898,495 0.838,496 0.858,497 0.363,498 0.935,499 0.813,500 1.088,501 1.318,502 1.278,503 0.803,504 1.194,505 1.174,506 1.096,507 1.352,508 1.257,509 1.267,510 1.173,511 0.945,512 0.951,513 1.019,514 1.06,515 0.993,516 0.928,517 0.615,518 1.247,519 1.101,520 1.291,521 0.557,522 1.064,523 0.898,524 0.916,525 0.769,526 0.772,527 0.737,528 0.862,529 1.321,530 0.987,531 0.776,532 0.782,533 1.341,534 0.993,535 4,536 0.046,537 1.778,538 1.076,539 0.858,540 0.372,541 0.389,542 0.125,543 0.076,544 0.08,545 3565,546 10359,547 2.113,548 45.7,549 4,550 3,551 1,552 2,553 1,554 5,558 1.597,559 2,560 3.124,561 -0.249,563 1,565 1,567 58.222,568 1.663,569 3.62,570 4.572,571 4.844,572 4.844,573 4.844,574 2.576,575 3.471,576 4.217,577 3.279,578 560.64,579 7.156,580 5567.63,581 1,582 1,584 1,585 179.525,586 1.324,587 4.189,588 0.19,589 0.008,590 0.061,591 0.045,592 0.043,593 0.021,594 0.023,595 0.01,596 0.007,597 0.01,598 0.417,599 0.5,600 1,601 0.789,602 83.303,603 -0.064,604 -0.105,605 0.06,606 0.052,607 -0.021,608 0.037,609 0.149,610 0.204,611 0.058,612 0.13,613 0.206,614 0.031,615 -0.086,616 -0.089,617 -0.201,618 -0.158,619 -0.076,620 -0.17,621 -0.149,622 -0.148,623 -0.196,624 -0.154,625 -0.165,626 -0.167,627 0.01,629 0.13,630 0.019,631 -0.029,632 0.083,633 0.09,634 -0.264,635 0.03,636 -0.177,637 0.121,638 -0.032,639 -0.065,640 0.017,641 0.027,642 0.042,643 -0.028,644 0.088,645 -0.197,646 -0.072,647 -0.095,648 -0.035,649 -0.199,650 -0.085,651 2.32,652 4.046,653 0.737,654 15.036,655 1.003,656 1.121,657 2.184,658 4.772,659 0.683,660 3.091,661 3.401,662 3.638,663 3.871,664 3.989,665 4.078,666 4.205,667 4.29,668 4.159,669 4.159,670 5.303,671 0.638,672 276.39,673 3.091,674 4.615,675 5.451,676 6.315,677 7.171,678 8.039,679 8.904,680 9.775,681 10.644,682 11.518,683 5.7,691 1,693 1,699 4,700 1,703 1,704 3,705 1,706 10,724 35,726 11,728 21,730 37,731 14,733 7,739 3,740 4,748 3,749 1,751 4,753 8,754 6,755 1,756 1,761 1,765 1,768 1,769 1,772 16,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,818 1,830 1,832 2,834 1,840 19,845 1,846 5,850 1,856 1,862 5.7,864 1,865 1,869 9.5,870 6.1,871 4.139,872 2.174,874 1.776,875 1.27,876 0.96,877 3.691,878 8.351,879 3.332,880 3.882,881 4.36,882 4.853,883 4.968,884 5.21,885 5.538,886 5.886,887 5.958,888 6.152,889 0.833,890 24,891 7.049,893 3.033,894 7.781,895 13.685,897 11.658,899 2.281,900 43.333,901 0.001,904 176.567,905 86.523,906 18.685,908 67.828,910 31.278,911 55.246,912 244.395,913 18.685,915 12.244,916 18.524,917 117.684,918 14.132,919 14.488,920 172.531,922 176.567,923 73.93,924 67.828,925 31.278,927 176.567,928 67.828,931 31.809,932 25.336,933 16.786,934 31.278,935 176.567,936 86.513,937 86.523,940 176.567,941 50.334,942 38.089,944 84.614,945 176.567,946 86.513,947 86.523,949 0.581,950 0.329,951 0.169,952 0.083,953 15,954 6,955 0.108,956 4,957 1,958 1.143,959 3.274,960 136.418,961 0.143,962 14,963 80.711,964 1,968 12.857,969 5.454,970 2.889,972 84.614,973 7.841,974 4.03,977 1.781,978 3.993,979 2.068,980 42.683,981 349.603,982 27,987 11.046,991 -0.654,994 35.12,995 39.242,996 0.324,997 0.706,998 0.891,999 0.944,1000 0.944,1001 0.944,1002 4.559,1003 0.618,1004 5.425,1005 2.733,1006 4.078,1007 4.564,1008 2.258,1009 6.192,1010 3.97,1011 5.739,1012 0.468,1013 6.956,1014 1.372,1015 3.611,1016 4.29,1017 2.243,1018 6.974,1019 3.451,1020 7.026,1021 0.39,1022 8.581,1023 1.111,1024 5.631,1025 6.654,1026 3.628,1027 10.029,1028 5.43,1029 8.346,1030 -0.586,1031 10.262,1032 1.016,1033 5.994,1034 7.25,1035 4.112,1036 11.634,1037 5.734,1038 9.698,1039 -0.83,1040 11.977,1041 -1.664,1042 7.458,1043 9.029,1044 5.201,1045 14.171,1046 7.169,1047 11.07,1048 -0.963,1049 13.715,1050 -2,1051 8.196,1052 10.024,1053 5.889,1054 16.128,1055 7.85,1056 12.459,1057 -1,1058 15.47,1059 -2.278,1060 9.436,1061 11.564,1062 6.849,1063 18.483,1064 9.062,1065 3.041,1066 -1.41,1067 17.238,1068 -2.744,1069 10.354,1070 12.754,1071 7.625,1072 20.602,1073 9.925,1074 2.633,1075 9.665,1076 19.015,1077 -3.535,1078 11.501,1079 14.192,1080 8.526,1081 22.89,1082 11.042,1083 2.525,1084 7.975,1085 20.8,1086 4.008,1087 12.508,1088 15.478,1089 9.342,1090 25.084,1091 11.997,1092 2.036,1093 7.043,1094 22.591,1095 3.478,1096 13.618,1097 16.875,1098 10.216,1099 27.35,1100 13.073,1101 1.524,1102 6.053,1103 24.387,1104 3.021,1105 14.669,1106 18.207,1107 11.051,1108 29.58,1109 14.076,1110 1.301,1111 4.338,1112 26.189,1113 2.536,1114 15.768,1115 19.59,1116 11.912,1117 31.841,1118 15.137,1119 1.202,1120 2.94,1121 27.994,1122 1.83,1123 16.842,1124 20.946,1125 12.755,1126 34.088,1127 16.165,1128 3453,1129 5961,1130 14.216,1131 23.898,1132 31.949,1133 31.654,1134 31.643,1135 31.487,1136 31.477,1137 39.955,1138 4.682,1139 88.493,1140 29.724,1141 5.306,1142 5.591,1143 5.933,1144 5.112,1145 5.041,1146 6.652,1147 3.925,1148 16.051,1149 4.908,1150 7.587,1151 1.521,1152 1.507,1153 1.507,1154 1.499,1155 1.499,1156 1.903,1157 0.223,1158 4.214,1159 1.415,1160 4.03,1161 4.059,1162 4.273,1163 4.033,1164 7.474,1165 3.973,1166 3.895,1167 3.952,1168 3.847,1169 3.697,1170 6.351,1171 3.723,1172 3.591,1173 3.613,1174 3.6,1175 3.487,1176 4.955,1177 3.468,1178 3.267,1179 3.311,1180 3.147,1181 3.076,1182 4.623,1183 3.079,1184 3.093,1185 3.166,1186 3.049,1187 2.968,1188 3.972,1189 2.92,1190 2.913,1191 2.957,1192 2.749,1193 2.625,1194 3.722,1195 2.658,1196 2.538,1197 2.636,1198 2.437,1199 2.341,1200 3.472,1201 2.325,1202 2.445,1203 2.55,1204 2.312,1205 2.239,1206 3.35,1207 2.213,1208 0.208,1209 0.178,1210 0.3,1211 0.19,1212 0.145,1213 4.361,1214 0.191,1215 3.736,1216 0.111,1217 6.303,1218 0.46,1219 3.994,1220 0.138,1221 3.041,1222 4.008,1223 2.341,1224 9.665,1225 2.908,1226 1.864,1227 1.833,1228 2.025,1229 1.98,1230 1.398,1231 1.998,1232 1.712,1233 1.667,1234 1.876,1235 1.893,1236 1.188,1237 1.898,1238 1.412,1239 1.371,1240 1.557,1241 1.564,1242 0.794,1243 1.573,1244 1.293,1245 1.238,1246 1.478,1247 1.524,1248 0.631,1249 1.51,1250 1.203,1251 1.193,1252 1.387,1253 1.414,1254 0.581,1255 1.4,1256 1.071,1257 0.994,1258 1.299,1259 1.257,1260 0.394,1261 1.307,1262 0.831,1263 0.77,1264 1.071,1265 1.11,1266 0.205,1267 1.117,1268 0.602,1269 0.565,1270 0.891,1271 0.853,1273 0.914,1274 3.761,1276 5.069,1277 3.045,1278 6.547,1279 5.283,1280 8.105,1281 7.273,1282 9.711,1289 9.093,1290 4.321,1294 -0.187,1300 22.347,1301 58.222,1302 126.716,1303 160.015,1304 169.525,1305 169.525,1306 169.525,1307 28.934,1308 6.575,1309 55.12,1310 83.36,1311 16,1312 12.06,1313 3.585,1314 2.807,1315 27.996,1316 61,1317 49,1318 0.233,1319 140.958,1320 236.77,1321 335.698,1322 5540,1324 13.242,1325 0.697,1326 0.6,1327 13.596,1328 11.397,1329 9.22,1330 0.439,1331 0.349,1332 6.509,1333 8.43,1334 6.313,1335 5.164,1336 9.629,1337 7.328,1338 8.403,1339 0.29,1340 0.214,1341 9.071,1342 6.211,1343 6.853,1344 0.185,1345 0.133,1346 7.607,1347 4.926,1348 5.526,1349 0.118,1350 0.082,1351 6.372,1352 3.848,1353 3.997,1354 0.075,1355 0.054,1356 4.806,1357 2.855,1358 0.365,1359 61.672,1360 0.265,1361 19.243,1362 0.636,1363 100,1364 286.036,1365 133.576,1366 296.04,1367 395.69,1368 276,1369 116,1370 265.339,1371 145.06,1372 283.911,1373 410.1,1374 267,1375 5.733} {0 CHEMBL282823,1 1.707,2 11.813,3 4.528,4 20.498,5 123.753,6 8.564,7 0.514,8 4.106,9 4.192,10 3.912,11 3.752,12 5.207,13 3.701,14 4.652,15 4.781,16 4.231,17 4.165,18 5.983,19 4.091,20 4.962,21 5.14,22 4.296,23 4.345,24 6.047,25 4.23,26 5.039,27 5.23,28 4.231,29 4.336,30 6.134,31 4.212,32 5.053,33 5.258,34 4.26,35 4.318,36 6.131,37 4.204,38 5.029,39 5.227,40 4.287,41 4.303,42 6.176,43 4.2,44 5.058,45 5.283,46 4.176,47 4.269,48 6.109,49 4.152,50 5.002,51 5.226,52 4.13,53 4.166,54 6.132,55 4.044,56 0.119,57 0.754,58 11.784,59 5.509,60 23.841,61 6.173,62 0.422,63 1.246,64 19.938,65 9.461,66 80.232,67 11.344,68 0.434,69 1.65,70 35.598,71 13.876,72 78.104,73 16.162,74 0.543,75 1.764,76 41.883,77 15.288,78 97.966,79 17.454,80 0.575,81 1.752,82 40.687,83 14.825,84 107.992,85 17.522,86 0.572,87 1.686,88 36.294,89 14.318,90 99.706,91 17.728,92 0.5,93 1.764,94 37.694,95 14.454,96 89.482,97 18.13,98 0.627,99 1.66,100 40.769,101 13.978,102 104.618,103 16.401,104 29,105 50,106 0.279,107 0.605,108 0.759,109 0.872,110 0.878,111 0.884,112 3.503,113 1.048,114 -4.38,115 -4.31,116 -4.07,118 43.6,120 5,126 1,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 3,180 23,181 1,186 7,191 5,194 24,195 1,198 11,203 5,206 17,207 2,210 8,215 4,218 15,219 3,222 12,227 7,229 14,230 4,234 10,239 6,242 11,243 1,247 8,248 1,250 1,252 2,253 1,255 11,256 1,258 1,259 5,262 2,263 1,264 1,267 12,270 1846,271 21.195,272 21.195,273 21.195,274 21.195,275 21.195,276 18.537,277 15.16,278 12.465,279 21.573,280 17.308,281 17.308,282 17.308,283 17.308,284 17.308,285 13.221,286 9.905,287 5.986,288 17.985,289 4.074,290 2.073,291 1.127,292 0.436,293 0.4,294 0.364,295 4.196,297 1,299 1,300 1,301 809,302 4,306 385.081,310 146.941,313 1.773,314 44.743,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 69.333,326 378,327 4.852,328 4.686,329 7.308,330 4.315,331 3.394,332 4.7,333 2.341,334 12.509,335 3.148,336 4.479,337 3.602,338 6.577,339 4.125,340 3.129,341 4.175,343 10.506,344 3.066,345 4.043,346 3.314,347 6.076,348 3.702,349 2.709,350 3.576,352 8.812,353 2.691,354 3.839,355 2.899,356 5.476,357 3.398,358 2.441,359 3.395,361 7.197,362 2.355,363 3.585,364 2.763,365 5.175,366 3.288,367 2.339,368 2.769,370 6.324,371 2.188,372 3.444,373 2.58,374 5.018,375 3.155,376 2.168,377 2.65,379 5.834,380 2.089,381 3.279,382 2.158,383 4.641,384 2.866,385 1.878,386 2.581,388 5.051,389 1.845,390 3.138,391 1.873,392 4.602,393 2.768,394 1.795,395 2.323,397 4.679,398 1.741,399 3,400 1.696,401 4.536,402 2.505,403 1.555,404 2.094,406 4.521,407 1.411,408 2.652,409 1.588,410 3.9,411 2.273,412 1.286,413 1.717,415 3.145,416 1.267,417 2.5,418 1.134,419 3.477,420 2.007,421 1.015,422 1.5,424 2.505,425 1.005,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.203,436 1,437 3.247,438 1.955,439 1,440 1.171,442 2.136,443 0.952,444 1.723,445 0.937,446 3.233,447 1.517,448 0.516,449 0.586,451 1.186,452 0.512,453 1.173,454 0.677,455 3.023,456 0.957,457 -0.004,458 -0.005,460 -0.012,461 -0.004,462 15.681,463 0.49,464 0.943,465 0.029,466 42,467 1.313,468 22.5,469 0.703,470 19.5,471 0.609,472 29.048,473 0.908,474 34.119,475 0.62,476 33.485,477 1.046,478 7.886,479 0.246,480 7.429,481 0.232,482 0.131,483 0.053,484 0.287,487 0.57,488 1.135,489 0.705,490 1.058,491 0.664,492 0.869,493 0.458,494 1.063,495 0.759,496 0.954,497 0.431,498 0.975,499 0.894,500 1.063,501 1.052,502 1.062,503 0.829,504 1.053,505 1.013,506 1.105,507 1.146,508 1.168,509 1.005,510 1.104,511 0.98,512 0.988,513 0.756,514 0.911,515 1.092,516 0.982,517 0.683,518 1.098,519 0.723,520 1.022,521 0.773,522 1.055,523 0.848,524 1.021,525 0.731,526 0.905,527 0.834,528 0.987,529 1.125,530 0.959,531 0.962,532 0.954,533 1.069,534 0.958,535 8,536 0.231,537 4,538 2.125,539 1.911,540 1.403,541 0.772,542 0.684,543 0.537,544 0.327,545 13605,546 45127,547 2.056,548 41.8,549 4,550 9,552 2,553 2,554 2,555 4,558 1.749,559 1.91,560 3.525,561 0.208,567 93.894,568 1.707,569 3.708,570 4.654,571 5.345,572 5.381,573 5.418,574 2.951,575 4.375,576 4.968,577 3.693,578 1831.7,579 8.717,580 26595.7,585 317.975,586 1.574,587 4.918,588 0.229,589 0.008,590 0.08,591 0.042,592 0.04,593 0.029,594 0.016,595 0.015,596 0.013,597 0.009,598 0.481,599 0.17,600 0.88,601 1.043,602 167.306,603 0.034,604 -0.014,605 0.124,606 -0.006,607 -0.103,608 0.058,609 0.251,610 0.007,611 0.015,612 -0.001,613 0.265,614 -0.046,615 -0.108,616 -0.04,617 -0.1,618 -0.042,619 -0.06,620 -0.068,621 -0.133,622 -0.089,623 -0.168,624 -0.118,625 -0.083,626 -0.11,627 -0.095,628 -0.007,629 0.037,630 0.036,631 -0.108,633 0.118,634 -0.146,635 0.077,636 -0.103,637 0.057,638 -0.063,639 -0.035,640 -0.05,641 0.056,643 -0.042,644 0.006,645 -0.108,646 0.038,647 -0.001,648 0.03,649 -0.084,650 0.033,651 4.586,652 5.829,653 0.688,654 34.707,655 1.012,656 1.114,657 3.149,658 9.918,659 0.704,660 3.584,661 3.932,662 4.159,663 4.419,664 4.7,665 4.828,666 4.977,667 5.142,668 5.278,669 5.333,670 7.049,671 0.667,672 471.01,673 3.584,674 5.142,675 5.984,676 6.872,677 7.738,678 8.632,679 9.508,680 10.408,681 11.289,682 12.191,683 3.6,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 55,726 21,727 2,728 35,730 58,731 24,733 17,734 6,735 6,739 4,740 5,741 1,748 4,751 6,753 18,754 6,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 5,847 1,850 1,861 1,862 7.3,864 1,865 3,869 16.75,870 9.626,871 6.875,872 3.282,874 2.962,875 1.376,876 0.982,877 6.729,878 10.837,879 3.871,880 4.494,881 4.978,882 5.514,883 6.067,884 6.322,885 6.664,886 6.963,887 7.319,888 7.578,889 0.875,890 51,891 12.127,893 5.524,894 7.99,895 22.506,897 19.169,899 2.49,900 79.694,904 247.193,905 134.274,906 33.191,907 39.149,908 112.141,910 5.807,911 128.467,912 398.483,913 33.191,915 12.673,916 98.022,917 153.379,918 39.074,920 223.651,921 39.149,922 247.193,923 161.657,924 112.141,925 44.956,927 200.109,928 159.226,931 47.172,932 97.699,933 61.742,935 247.193,936 145.332,937 173.423,939 5.807,940 247.193,941 34.562,942 93.905,943 16.405,944 168.075,945 247.193,946 145.332,947 173.423,949 0.588,950 0.323,951 0.168,952 0.1,953 24,954 11,955 0.121,956 7,957 1,958 1.091,959 4.219,960 296.095,961 0.091,962 22,963 154,967 1,968 22.629,969 9.516,970 5.45,972 145.332,973 17.492,974 4.185,978 5.728,980 59.088,981 565.948,982 47,986 -3.669,987 36.823,991 -0.838,994 55.633,995 61.265,996 0.295,997 0.641,998 0.805,999 0.925,1000 0.931,1001 0.937,1002 5.121,1003 1.795,1004 6.004,1005 5.051,1006 4.615,1007 5.182,1008 2.258,1009 6.845,1010 4.545,1011 6.357,1012 1.555,1013 7.587,1014 4.679,1015 4.369,1016 5.223,1017 2.243,1018 7.997,1019 4.21,1020 7.701,1021 1.286,1022 9.283,1023 4.521,1024 6.279,1025 7.457,1026 3.628,1027 11.035,1028 6.13,1029 9.084,1030 1.015,1031 11.048,1032 3.145,1033 6.825,1034 8.306,1035 4.112,1036 13.031,1037 6.578,1038 10.502,1039 1,1040 12.862,1041 2.505,1042 8.267,1043 10.088,1044 5.201,1045 15.672,1046 8.018,1047 11.948,1048 1,1049 14.71,1050 2.275,1051 9.171,1052 11.299,1053 5.889,1054 17.988,1055 8.828,1056 13.416,1057 0.516,1058 16.585,1059 2.136,1060 10.444,1061 12.918,1062 6.849,1063 20.521,1064 10.076,1065 3.394,1066 -0.004,1067 18.48,1068 1.186,1069 11.511,1070 14.296,1071 7.625,1072 22.955,1073 11.058,1074 3.129,1075 12.509,1076 20.391,1077 -0.012,1078 12.725,1079 15.853,1080 8.526,1081 25.464,1082 12.229,1083 2.709,1084 10.506,1085 22.314,1086 4.7,1087 13.865,1088 17.31,1089 9.342,1090 27.944,1091 13.29,1092 2.441,1093 8.812,1094 24.248,1095 4.175,1096 15.063,1097 18.846,1098 10.216,1099 30.451,1100 14.433,1101 2.339,1102 7.197,1103 26.189,1104 3.576,1105 16.236,1106 20.342,1107 11.051,1108 32.951,1109 15.531,1110 2.168,1111 6.324,1112 28.138,1113 3.395,1114 17.433,1115 21.872,1116 11.912,1117 35.462,1118 16.664,1119 1.878,1120 5.834,1121 30.092,1122 2.769,1123 18.622,1124 23.387,1125 12.755,1126 37.972,1127 17.78,1128 13102,1129 24026,1130 23.057,1131 38.71,1132 52.875,1133 54.672,1134 53.697,1135 52.706,1136 52.445,1137 69.472,1138 4.682,1139 153.357,1140 50.54,1141 5.8,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.86,1149 5.148,1150 16.958,1151 1.511,1152 1.562,1153 1.534,1154 1.506,1155 1.498,1156 1.985,1157 0.134,1158 4.382,1159 1.444,1160 4.116,1161 4.124,1162 4.737,1163 4.087,1164 7.717,1165 4.037,1166 4.013,1167 4.007,1168 4.005,1169 3.987,1170 7.474,1171 3.943,1172 3.812,1173 3.855,1174 3.925,1175 3.717,1176 6.999,1177 3.717,1178 3.676,1179 3.703,1180 3.737,1181 3.584,1182 6.351,1183 3.539,1184 3.578,1185 3.577,1186 3.518,1187 3.441,1188 4.938,1189 3.416,1190 3.409,1191 3.432,1192 3.338,1193 3.285,1194 4.915,1195 3.273,1196 3.144,1197 3.195,1198 3.155,1199 2.983,1200 4.639,1201 2.98,1202 2.943,1203 2.997,1204 3.015,1205 2.787,1206 4.267,1207 2.774,1208 0.139,1209 0.134,1210 0.209,1211 0.123,1212 0.097,1213 4.852,1214 0.134,1215 4.686,1216 0.067,1217 7.308,1218 0.357,1219 4.315,1220 0.09,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.148,1226 2.051,1227 2.031,1228 2.15,1229 2.125,1230 1.471,1231 2.142,1232 1.947,1233 1.955,1234 1.956,1235 2.007,1236 1.191,1237 2.043,1238 1.798,1239 1.76,1240 1.93,1241 1.919,1242 1.121,1243 1.927,1244 1.627,1245 1.589,1246 1.829,1247 1.804,1248 1.016,1249 1.813,1250 1.46,1251 1.46,1252 1.612,1253 1.639,1254 0.771,1255 1.649,1256 1.342,1257 1.332,1258 1.455,1259 1.49,1260 0.756,1261 1.53,1262 1.126,1263 1.074,1264 1.181,1265 1.333,1266 0.517,1267 1.36,1268 0.912,1269 0.865,1270 1.17,1271 1.176,1272 0.309,1273 1.167,1274 4.263,1276 5.602,1278 7.133,1280 8.753,1282 10.421,1285 5.879,1289 9.165,1290 2.358,1291 2.823,1294 -0.25,1300 36.711,1301 93.894,1302 203.947,1303 255.975,1304 293.975,1305 295.975,1306 297.975,1307 78.711,1308 7.875,1309 96.36,1310 104.74,1311 24,1312 12.716,1313 4.459,1314 3.7,1315 51.643,1316 133,1317 150,1318 0.187,1319 231.176,1320 406.1,1321 555.831,1322 28066,1323 1.8,1324 22.717,1325 0.71,1326 0.59,1327 23.467,1328 18.864,1329 15.315,1330 0.438,1331 0.349,1332 10.433,1333 13.846,1334 10.059,1335 8.264,1336 16.424,1337 12.225,1338 14.613,1339 0.292,1340 0.201,1341 16.322,1342 10.074,1343 11.333,1344 0.18,1345 0.119,1346 12.726,1347 7.481,1348 9.332,1349 0.114,1350 0.068,1351 10.521,1352 5.55,1353 7.843,1354 0.072,1355 0.04,1356 8.952,1357 4.319,1358 0.292,1359 106.309,1360 0.208,1361 29.754,1362 0.519,1363 170,1364 516.398,1365 234.244,1366 551.89,1367 725.81,1368 506,1369 198,1370 468.464,1371 262.977,1372 522.37,1373 754.99,1374 490,1375 5.301} {0 CHEMBL282884,1 1.495,2 12.375,3 5.012,4 25.118,5 126.012,6 7.075,7 0.353,8 4.175,9 4.304,10 3.68,11 3.716,12 5.299,13 3.681,14 4.7,15 4.883,16 3.968,17 4.098,18 5.792,19 4.015,20 5.028,21 5.279,22 3.985,23 4.24,24 5.918,25 4.122,26 5.031,27 5.292,28 4.006,29 4.226,30 5.962,31 4.109,32 4.996,33 5.232,34 4.075,35 4.255,36 6.014,37 4.165,38 5.048,39 5.282,40 4.106,41 4.318,42 6.058,43 4.215,44 5.077,45 5.32,46 4.07,47 4.31,48 6.11,49 4.195,50 5.051,51 5.305,52 4.021,53 4.211,54 6.128,55 4.103,56 0.05,57 0.888,58 12.982,59 5.482,60 15.084,61 7.506,62 0.286,63 1.402,64 23.312,65 9.629,66 48.577,67 13.408,68 0.315,69 1.752,70 34.882,71 12.31,72 54.266,73 18.085,74 0.341,75 1.76,76 35.245,77 12.381,78 57.699,79 18.292,80 0.332,81 1.78,82 33.366,83 11.151,84 58.969,85 16.562,86 0.279,87 1.889,88 34.712,89 12.189,90 52.99,91 18.083,92 0.303,93 1.907,94 36.042,95 12.59,96 60.55,97 18.69,98 0.266,99 1.763,100 35.832,101 12.205,102 65.868,103 18.076,104 21,105 43,106 0.241,107 0.593,108 0.751,109 0.861,110 0.881,111 0.881,112 3.502,113 0.978,114 -4.71,115 -4.63,116 -4.35,118 41,120 8,126 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,176 1,177 5,180 18,181 1,186 3,191 5,194 16,195 1,198 7,201 2,203 8,206 13,207 1,210 8,215 7,218 12,219 1,222 10,227 6,229 12,230 2,234 10,237 1,239 6,242 12,243 3,247 8,248 1,252 6,255 11,256 2,258 2,259 6,262 2,264 4,265 1,267 10,268 1,270 1988,271 21.974,272 21.974,273 21.974,274 21.974,275 21.974,276 19.719,277 19.554,278 13.856,279 22.29,280 16.847,281 16.847,282 16.847,283 16.847,284 16.847,285 13.476,286 23.953,287 6.599,288 17.325,289 4.436,290 2.246,291 1.267,292 0.582,293 0.459,294 0.459,295 4.189,299 1,300 1,301 824,302 4.359,306 367.336,313 1.875,314 27.521,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 68.5,326 396,327 4.393,328 3.928,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.026,337 3.596,338 5.685,339 3.658,340 2.717,341 3.504,342 1.473,343 8.007,344 2.564,345 3.816,346 3.112,347 5.425,348 3.461,349 2.482,350 3.159,351 0.981,352 7.16,353 2.43,354 3.552,355 3.007,356 5.135,357 3.237,358 2.232,359 2.796,360 0.247,361 6.217,362 2.219,363 3.476,364 2.577,365 4.829,366 3.165,367 2.204,368 2.707,370 5.406,371 2.111,372 3.468,373 2.356,374 4.659,375 2.923,376 1.959,377 2.422,379 5.182,380 1.883,381 3.198,382 2.078,383 4.114,384 2.569,385 1.581,386 2.167,388 3.729,389 1.559,390 2.967,391 1.849,392 3.594,393 2.416,394 1.435,395 1.793,397 3.041,398 1.405,399 2.726,400 1.501,401 3.564,402 2.375,403 1.397,404 1.681,406 2.946,407 1.363,408 2.636,409 1.47,410 3.495,411 2.185,412 1.195,413 1.625,415 2.622,416 1.182,417 2.5,418 1.21,419 3.261,420 2,421 1,422 1.5,424 2.136,425 1,426 2.435,427 1.101,428 3.247,429 1.957,430 1,431 1.368,433 2.136,434 0.954,435 2.204,436 1,437 3.247,438 1.916,439 1,440 1.061,442 1.925,443 0.915,444 2,445 1,446 3.115,447 1.801,448 0.804,449 1,451 1.727,452 0.798,453 1.398,454 0.658,455 2.857,456 1.123,457 0.122,458 0.136,460 0.279,461 0.121,462 15.167,463 0.474,464 0.52,465 0.016,466 39.75,467 1.242,468 20,469 0.625,470 19.75,471 0.617,472 28.801,473 0.9,474 34.633,475 0.568,476 30.705,477 0.96,478 7.434,479 0.232,480 8.218,481 0.257,482 0.07,484 0.231,487 0.841,488 1.278,489 0.867,490 1.086,491 0.614,492 0.995,493 0.436,494 1.112,495 0.957,496 1.192,497 0.326,498 1.155,499 0.894,500 1.015,501 0.969,502 0.971,503 0.682,504 0.978,505 0.757,506 0.98,507 0.872,508 0.929,509 0.61,510 0.918,511 1.032,512 1.016,513 1.003,514 0.909,515 0.852,516 0.934,517 0.831,518 1.121,519 1.019,520 1.04,521 0.736,522 1.042,523 0.794,524 1.083,525 1.048,526 1.083,527 0.937,528 1.084,529 0.9,530 1.102,531 0.936,532 1.065,533 0.965,534 1.006,535 5,536 0.144,537 2,538 1.75,539 0.924,540 0.597,541 0.563,542 0.502,543 0.369,544 0.254,545 13700,546 36605,547 2.048,548 47.5,549 10,550 8,552 2,553 3,554 2,555 4,558 1.75,559 1.959,560 3.588,561 0.822,567 91.187,568 1.495,569 3.684,570 4.664,571 5.349,572 5.472,573 5.472,574 3.067,575 4.476,576 4.968,577 3.769,578 1869.6,579 8.723,580 28209,582 1,585 361.775,586 1.171,587 4.951,588 0.147,589 0.005,590 0.047,591 0.041,592 0.021,593 0.012,594 0.011,595 0.011,596 0.009,597 0.007,598 0.31,599 0.17,600 1,601 1.445,602 169.164,603 -0.072,604 -0.072,605 0.019,606 0.015,607 0.02,608 0.026,609 0.266,610 -0.002,611 -0.049,612 -0.129,613 0.229,614 -0.135,615 -0.077,616 -0.025,617 -0.005,618 0.028,619 -0.032,620 0.022,621 0.027,622 0.001,623 0.096,624 0.062,625 0.026,626 0.081,627 -0.145,628 0.045,629 -0.037,630 0.07,631 -0.098,632 0.039,633 -0.093,634 -0.061,635 -0.073,636 -0.043,637 -0.072,638 -0.051,639 -0.055,640 -0.038,641 -0.097,642 -0.094,643 -0.099,644 -0.096,645 -0.009,646 -0.116,647 0.041,648 -0.084,649 0.016,650 -0.02,651 2.456,652 3.848,653 0.563,654 37.008,655 0.996,656 1.129,657 3.484,658 12.137,659 0.657,660 3.555,661 3.784,662 3.97,663 4.205,664 4.394,665 4.394,666 4.522,667 4.635,668 4.635,669 4.663,670 7.443,671 0.621,672 431.59,673 3.555,674 5.043,675 5.844,676 6.678,677 7.501,678 8.346,679 9.18,680 10.031,681 10.871,682 11.727,683 8.2,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 61,726 16,727 1,728 34,730 63,731 25,733 11,734 2,735 4,736 2,739 3,740 3,743 1,748 6,751 9,752 1,753 15,754 9,756 3,761 1,763 1,764 1,765 3,772 29,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 3,818 1,822 1,823 1,826 1,830 1,832 3,840 32,845 1,846 8,847 2,850 1,853 1,858 1,860 1,862 3.3,864 1,865 1,869 16.333,870 10.55,871 7.389,872 3.924,874 2.374,875 1.329,876 0.938,877 9.284,878 9.591,879 3.829,880 4.277,881 4.727,882 5.24,883 5.708,884 5.888,885 6.273,886 6.609,887 6.837,888 7.089,889 1,890 43,891 11.791,893 4.827,894 7.807,895 22.656,897 18.172,899 2.307,900 73.833,903 1,904 306.049,905 136,906 100.652,908 67.828,911 136,912 373.877,913 100.652,915 20.276,916 84.344,917 143.25,918 78.253,919 1.899,920 282.506,922 306.049,923 236.652,924 67.828,927 258.964,928 114.913,931 104.227,932 88.153,933 44.273,935 306.049,936 168.48,937 136,940 306.049,941 35.399,942 84.429,943 52.194,944 132.459,945 306.049,946 168.48,947 136,949 0.55,950 0.3,951 0.169,952 0.094,953 16,954 7,955 0.159,956 10,958 1,959 4.348,960 271.774,962 18,963 156,968 23.506,969 12.639,970 7.806,972 168.48,973 15.301,974 4.232,978 2.763,980 78.705,981 610.529,982 45,987 10.848,989 2.059,990 3.943,991 0.665,994 60.767,995 68.893,996 0.252,997 0.621,998 0.786,999 0.902,1000 0.923,1001 0.923,1002 5.03,1003 1.435,1004 5.765,1005 3.729,1006 4.466,1007 4.963,1008 2.745,1009 6.469,1010 4.415,1011 6.185,1012 1.397,1013 7.245,1014 3.041,1015 3.761,1016 4.425,1017 2.331,1018 7.154,1019 3.687,1020 7.444,1021 1.195,1022 8.827,1023 2.946,1024 5.938,1025 6.973,1026 3.86,1027 10.257,1028 5.842,1029 8.732,1030 1,1031 10.476,1032 2.622,1033 6.089,1034 7.27,1035 4.148,1036 11.863,1037 5.977,1038 10.051,1039 1,1040 12.171,1041 2.136,1042 7.679,1043 9.269,1044 5.3,1045 14.448,1046 7.551,1047 11.393,1048 1,1049 13.898,1050 2.136,1051 8.271,1052 10.006,1053 5.904,1054 16.453,1055 8.134,1056 12.754,1057 0.804,1058 15.652,1059 1.925,1060 9.585,1061 11.729,1062 6.888,1063 18.86,1064 9.435,1065 3.03,1066 0.122,1067 17.425,1068 1.727,1069 10.413,1070 12.721,1071 7.631,1072 21.042,1073 10.261,1074 2.717,1075 10.225,1076 19.214,1077 0.279,1078 11.596,1079 14.291,1080 8.541,1081 23.388,1082 11.437,1083 2.482,1084 8.007,1085 21.016,1086 3.988,1087 12.551,1088 15.437,1089 9.345,1090 25.647,1091 12.393,1092 2.232,1093 7.16,1094 22.828,1095 3.504,1096 13.676,1097 16.92,1098 10.222,1099 27.975,1100 13.514,1101 2.204,1102 6.217,1103 24.65,1104 3.159,1105 14.697,1106 18.159,1107 11.052,1108 30.268,1109 14.538,1110 1.959,1111 5.406,1112 26.479,1113 2.796,1114 15.799,1115 19.594,1116 11.914,1117 32.591,1118 15.639,1119 1.581,1120 5.182,1121 28.315,1122 2.707,1123 16.855,1124 20.889,1125 12.756,1126 34.9,1127 16.699,1128 13502,1129 22228,1130 22.94,1131 40.074,1132 49.883,1133 51.585,1134 49.704,1135 48.418,1136 48.318,1137 61.816,1138 10.085,1139 125.475,1140 47.045,1141 5.393,1142 5.928,1143 6.31,1144 5.063,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 13.706,1151 1.467,1152 1.517,1153 1.462,1154 1.424,1155 1.421,1156 1.818,1157 0.297,1158 3.69,1159 1.384,1160 4.016,1161 4.05,1162 3.961,1163 3.951,1164 7.474,1165 3.949,1166 3.875,1167 3.933,1168 3.772,1169 3.751,1170 6.832,1171 3.742,1172 3.803,1173 3.846,1174 3.717,1175 3.711,1176 6.351,1177 3.71,1178 3.695,1179 3.741,1180 3.58,1181 3.549,1182 4.927,1183 3.544,1184 3.533,1185 3.603,1186 3.483,1187 3.298,1188 4.782,1189 3.338,1190 3.376,1191 3.405,1192 3.291,1193 3.204,1194 4.553,1195 3.219,1196 3.151,1197 3.237,1198 3.038,1199 2.946,1200 4.255,1201 2.949,1202 3.111,1203 3.206,1204 2.928,1205 2.941,1206 4.2,1207 2.91,1208 0.129,1209 0.116,1210 0.191,1211 0.118,1212 0.089,1213 4.393,1214 0.117,1215 3.928,1216 0.069,1217 6.508,1218 0.301,1219 4.026,1220 0.089,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.095,1229 2.065,1230 1.476,1231 2.072,1232 1.871,1233 1.814,1234 2.073,1235 2.025,1236 1.283,1237 2.047,1238 1.789,1239 1.753,1240 1.923,1241 1.911,1242 1.124,1243 1.915,1244 1.678,1245 1.629,1246 1.887,1247 1.856,1248 0.943,1249 1.868,1250 1.423,1251 1.357,1252 1.571,1253 1.683,1254 0.825,1255 1.652,1256 1.318,1257 1.279,1258 1.523,1259 1.531,1260 0.824,1261 1.521,1262 1.153,1263 1.064,1264 1.513,1265 1.376,1266 0.674,1267 1.429,1268 1.119,1269 1.04,1270 1.354,1271 1.36,1272 0.38,1273 1.371,1274 4.234,1276 5.485,1278 6.925,1280 8.453,1282 10.03,1289 8.915,1290 7.155,1291 6.626,1294 0.326,1298 9.12,1299 1.88,1300 37.858,1301 91.187,1302 224.739,1303 284.491,1304 326.265,1305 333.775,1306 333.775,1307 67.452,1308 7.217,1309 110.4,1310 110.4,1311 18,1312 12.284,1313 4.087,1314 3.585,1315 60.838,1316 140,1317 144,1318 0.205,1319 238.161,1320 425.72,1321 572.874,1322 12825,1324 22.598,1325 0.706,1326 0.566,1327 22.598,1328 18.127,1329 15.652,1330 0.46,1331 0.326,1332 10.982,1333 15.183,1334 10.783,1335 9.002,1336 15.652,1337 11.086,1338 13.163,1339 0.306,1340 0.184,1341 13.163,1342 7.891,1343 10.008,1344 0.192,1345 0.105,1346 10.008,1347 5.46,1348 8.393,1349 0.127,1350 0.059,1351 8.393,1352 3.912,1353 6.66,1354 0.083,1355 0.034,1356 6.66,1357 2.718,1358 0.324,1359 97.192,1360 0.209,1361 30.105,1362 0.56,1363 154,1364 437.486,1365 166.56,1366 433.274,1367 578.63,1368 402,1369 172,1370 413.23,1371 182.152,1372 421.548,1373 598.15,1374 396,1375 8.523} {0 CHEMBL283196,1 1.234,2 7.762,3 4.045,4 16.361,5 83.497,6 8.252,7 0.708,8 3.619,9 3.692,10 3.296,11 3.33,12 4.795,13 3.307,14 4.087,15 4.178,16 3.664,17 3.71,18 5.256,19 3.679,20 4.354,21 4.496,22 3.756,23 3.807,24 5.496,25 3.767,26 4.332,27 4.476,28 3.652,29 3.692,30 5.549,31 3.652,32 4.22,33 4.384,34 3.489,35 3.589,36 5.383,37 3.537,38 4.07,39 4.229,40 3.327,41 3.475,42 5.292,43 3.41,44 3.929,45 4.091,46 3.102,47 3.352,48 5.114,49 3.257,50 3.812,51 4.03,52 2.677,53 3.157,54 4.759,55 2.991,56 0.002,57 0.322,58 4.926,59 2.742,60 3.687,61 3.252,62 0.004,63 0.535,64 8.481,65 4.55,66 6.944,67 5.366,68 0.069,69 0.765,70 13.808,71 6.516,72 18.743,73 7.688,74 0.23,75 0.759,76 14.336,77 6.372,78 31.559,79 7.078,80 0.146,81 0.695,82 13.402,83 5.879,84 24.526,85 6.632,86 0.116,87 0.591,88 11.134,89 5.009,90 26.059,91 5.729,92 0.087,93 0.51,94 9.334,95 4.352,96 24.065,97 5.131,98 0.059,99 0.484,100 9.131,101 4.241,102 16.413,103 5.593,104 2,105 34,106 0.223,107 0.445,108 0.587,109 0.762,110 0.856,111 0.867,112 3.105,113 0.855,114 -5.19,115 -5.08,116 -4.76,118 57.6,133 1,136 1,140 11,141 4,142 1,153 1,168 15,172 6,180 19,186 6,194 15,197 1,198 8,206 11,210 6,218 12,222 4,229 15,234 2,242 16,255 11,267 5,270 493,271 14.637,272 14.637,273 14.637,274 14.637,275 14.637,276 12.363,277 7.761,278 8.697,279 14.707,280 11.881,281 11.881,282 11.881,283 11.881,284 11.881,285 8.444,286 9.948,287 4.144,288 12.006,289 3.81,290 2.578,291 1.793,292 0.822,293 0.303,294 0.242,295 3.81,298 1,299 1,300 1,301 366,302 1.871,306 162.33,310 124.454,313 1.129,314 15.833,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 44,326 163,327 4.638,328 3.625,329 6.814,330 4.215,331 3.234,332 4.533,333 0.86,334 11.27,335 3.177,336 4.222,337 3.105,338 6.165,339 3.792,340 2.805,341 3.796,343 9.122,344 2.769,345 3.926,346 2.891,347 5.954,348 3.54,349 2.527,350 3.438,352 8.264,353 2.554,354 3.345,355 2.316,356 5.102,357 2.905,358 1.93,359 2.668,361 5.77,362 1.872,363 3.311,364 1.919,365 4.547,366 2.792,367 1.806,368 2.618,370 4.669,371 1.773,372 3.04,373 1.698,374 4.249,375 2.558,376 1.552,377 2.258,379 3.782,380 1.557,381 2.776,382 1.39,383 3.629,384 2.285,385 1.275,386 1.868,388 2.926,389 1.286,390 2.587,391 1.262,392 3.583,393 2.098,394 1.133,395 1.571,397 2.732,398 1.084,399 2.5,400 1,401 3.375,402 2,403 1,404 1.5,406 2.136,407 1,408 2.325,409 0.968,410 3.247,411 1.808,412 0.813,413 1.21,415 1.961,416 0.807,417 1.443,418 0.558,419 2.802,420 0.931,421 -0.057,422 -0.079,424 -0.151,425 -0.056,426 1.011,427 -0.14,428 2.709,429 0.592,430 -0.395,431 -0.519,433 -1.05,434 -0.386,435 0.929,436 -0.386,437 2.335,438 0.446,439 -0.586,440 -0.897,442 -1.395,443 -0.599,444 0.712,445 -0.622,446 2.261,447 0.279,448 -0.7,449 -0.949,451 -1.716,452 -0.685,453 0.5,454 -0.867,455 2,456 0.016,457 -0.967,458 -1.346,460 -2.347,461 -0.944,462 10.167,463 0.484,464 0.432,465 0.021,466 32.25,467 1.536,468 19.5,469 0.929,470 12.75,471 0.607,472 11.835,473 0.564,474 19.833,475 0.601,476 21.414,477 1.02,478 6.541,479 0.311,480 3.786,481 0.18,482 0.033,484 0.344,487 0.631,488 0.828,489 0.655,490 0.815,491 0.56,492 0.752,493 0.784,494 1.028,495 0.813,496 1.012,497 0.63,498 0.934,499 1.126,500 1.02,501 0.873,502 0.997,503 0.895,504 0.919,505 1.464,506 1.034,507 1.051,508 1.018,509 1.097,510 0.986,511 1.537,512 0.903,513 1.036,514 0.892,515 1.235,516 0.895,517 1.376,518 0.94,519 1.095,520 0.94,521 1.732,522 0.972,523 1.122,524 1.071,525 1.244,526 1.09,527 1.78,528 1.166,529 0.53,530 1.162,531 1.27,532 1.203,533 0.878,534 1.312,535 3,537 2.444,538 1.188,539 1.262,540 0.854,541 0.327,542 0.134,543 0.053,544 0.023,545 4268,546 10764,547 2.215,548 36.4,550 12,558 1.637,559 2.136,560 2.974,561 -0.891,563 1,567 40.735,568 1.234,569 2.466,570 3.251,571 4.223,572 4.741,573 4.802,574 2.412,575 4.107,576 4.366,577 3.048,578 640.135,579 7.505,580 6499.67,582 1,583 1,584 1,585 166.465,586 1.166,587 4.35,588 0.125,590 0.072,591 0.033,592 0.041,593 0.032,594 0.014,595 0.007,596 0.005,597 0.005,598 0.333,599 0.83,600 1,601 0.418,602 92.287,603 0.002,604 0.013,605 0.052,606 0.018,607 -0.065,608 0.037,609 0.002,610 -0.162,611 -0.046,612 -0.155,613 -0.024,614 -0.116,615 -0.017,616 -0.074,617 0.057,618 -0.06,619 -0.002,620 -0.004,621 0.068,622 -0.056,623 -0.056,624 -0.062,625 0.046,626 -0.073,627 -0.161,628 0.088,629 -0.023,630 0.086,631 -0.037,632 0.057,633 -0.168,634 0.034,635 -0.118,636 0.024,637 -0.091,638 -0.028,639 -0.171,640 -0.113,641 -0.3,642 -0.134,643 -0.215,644 -0.216,645 -0.056,646 -0.174,647 -0.266,648 -0.19,649 -0.142,650 -0.244,651 1.68,652 5.357,653 0.952,654 13.261,655 0.999,656 1.088,657 3.961,658 15.692,659 0.742,660 3.219,661 3.555,662 3.892,663 4.205,664 4.511,665 4.605,666 4.779,667 4.898,668 5.017,669 4.956,670 4.667,671 0.715,672 272.31,673 3.219,674 4.762,675 5.638,676 6.532,677 7.427,678 8.33,679 9.232,680 10.139,681 11.045,682 11.954,698 2,699 11,704 3,706 17,710 1,722 1,724 33,726 19,727 3,728 24,730 36,731 19,733 16,734 5,735 11,736 3,739 4,740 7,753 19,756 2,761 1,763 1,765 2,769 1,772 12,773 2,775 2,784 0.5,785 2,802 4,806 2,822 2,832 2,840 21,848 1,862 6.1,865 1,867 1,869 9.833,870 6.083,871 4.556,872 1.993,874 3.783,875 1.516,876 1.064,877 2.696,878 11.109,879 3.57,880 4.22,881 4.892,882 5.525,883 6.152,884 6.49,885 6.968,886 7.396,887 7.841,888 8.027,889 1,890 36,891 7.756,893 3.402,894 7.698,895 14.82,897 12.503,899 2.198,900 46.167,901 0.001,904 141.253,905 140.852,908 36.145,911 140.852,912 177.398,916 113.715,917 35.522,918 27.76,920 141.253,922 141.253,923 140.852,924 36.145,927 141.253,928 36.145,932 126.133,933 14.72,935 141.253,936 36.145,937 140.852,940 141.253,941 27.137,942 113.715,944 36.145,945 141.253,946 36.145,947 140.852,949 0.58,950 0.351,951 0.202,952 0.116,953 19,954 7,955 0.028,956 1,957 2,958 1.2,959 3.345,960 174.85,961 0.2,962 20,963 86.239,968 12.071,969 4.691,970 1.973,971 2.031,972 36.145,973 21.409,978 2.178,981 318.25,982 34.5,987 12.357,989 1.562,991 0.588,994 32.956,995 35.91,996 0.245,997 0.489,998 0.645,999 0.837,1000 0.94,1001 0.952,1002 4.79,1003 1.133,1004 5.617,1005 2.926,1006 4.234,1007 4.905,1008 0.908,1009 6.46,1010 4.212,1011 6.015,1012 1,1013 7.188,1014 2.732,1015 3.761,1016 4.663,1018 7.413,1019 3.733,1020 7.333,1021 0.813,1022 8.865,1023 2.136,1024 5.844,1025 7.179,1026 0.739,1027 10.567,1028 5.796,1029 8.692,1030 -0.057,1031 10.607,1032 1.961,1033 6.236,1034 7.811,1036 12.371,1037 6.177,1038 10.084,1039 -0.395,1040 12.39,1041 -0.151,1042 7.762,1043 9.754,1044 0.593,1045 15.03,1046 7.686,1047 11.502,1048 -0.586,1049 14.2,1050 -1.05,1051 8.564,1052 10.821,1054 17.176,1055 8.47,1056 12.941,1057 -0.7,1058 16.03,1059 -1.395,1060 9.859,1061 12.51,1062 0.469,1063 19.668,1064 9.749,1065 3.234,1066 -0.967,1067 17.874,1068 -1.716,1069 10.852,1070 13.798,1072 21.96,1073 10.722,1074 2.805,1075 11.27,1076 19.729,1077 -2.347,1078 12.055,1079 15.376,1080 0.366,1081 24.396,1082 11.908,1083 2.527,1084 9.122,1085 21.592,1086 4.533,1087 13.138,1088 16.773,1090 26.754,1091 12.969,1092 1.93,1093 8.264,1094 23.461,1095 3.796,1096 14.308,1097 18.304,1098 0.283,1099 29.173,1100 14.121,1101 1.806,1102 5.77,1103 25.337,1104 3.438,1105 15.431,1106 19.756,1108 31.561,1109 15.223,1110 1.552,1111 4.669,1112 27.217,1113 2.668,1114 16.591,1115 21.269,1116 0.217,1117 33.977,1118 16.364,1119 1.275,1120 3.782,1121 29.101,1122 2.618,1123 17.735,1124 22.747,1126 36.38,1127 17.488,1128 3990,1129 6440,1130 16.701,1131 24.477,1132 36.605,1133 37.689,1134 36.663,1135 36.153,1136 36.148,1137 50.922,1138 1.72,1139 105.267,1140 35.758,1141 5.495,1142 5.625,1143 6.616,1144 5.313,1145 5.234,1146 7.533,1147 1.72,1148 18.664,1149 5.177,1150 5.265,1151 1.525,1152 1.57,1153 1.528,1154 1.506,1155 1.506,1156 2.122,1157 0.072,1158 4.386,1159 1.49,1160 4.119,1161 4.129,1162 4.086,1163 4.068,1164 7.428,1165 4.069,1166 3.903,1167 3.928,1168 3.841,1169 3.853,1170 4.966,1171 3.847,1172 3.632,1173 3.647,1174 3.575,1175 3.534,1176 4.765,1177 3.54,1178 3.295,1179 3.333,1180 3.199,1181 3.208,1182 4.508,1183 3.202,1184 2.986,1185 3.026,1186 2.908,1187 2.905,1188 4.19,1189 2.896,1190 2.922,1191 2.929,1192 2.859,1193 2.759,1194 3.778,1195 2.776,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.674,1201 2.715,1202 2.618,1203 2.679,1204 2.473,1205 2.496,1206 3.542,1207 2.482,1208 0.193,1209 0.151,1210 0.284,1211 0.176,1212 0.135,1213 4.638,1214 0.189,1215 3.625,1216 0.036,1217 6.814,1218 0.47,1219 4.215,1220 0.132,1221 3.234,1222 4.533,1223 0.86,1224 11.27,1225 3.177,1226 2.085,1227 2.074,1228 2.153,1229 2.149,1230 1.299,1231 2.149,1232 1.907,1233 1.883,1234 2.021,1235 1.979,1236 1.099,1237 1.994,1238 1.601,1239 1.584,1240 1.717,1241 1.725,1242 0.773,1243 1.721,1244 1.299,1245 1.264,1246 1.471,1247 1.424,1248 0.533,1249 1.443,1250 0.996,1251 0.958,1252 1.201,1253 1.122,1254 0.305,1255 1.149,1256 0.886,1257 0.829,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.848,1263 0.821,1264 1.042,1265 1.046,1266 0.117,1267 1.028,1268 0.631,1269 0.575,1270 0.904,1271 0.82,1272 0.009,1273 0.85,1274 3.892,1276 5.22,1278 6.777,1280 8.436,1282 10.148,1292 6.042,1300 23.59,1301 40.735,1302 81.392,1303 107.292,1304 139.346,1305 156.465,1306 158.465,1307 26.771,1308 7.326,1309 30.21,1310 30.21,1311 24,1312 12.471,1313 4.322,1314 3.524,1315 27.836,1316 59,1317 58,1318 0.24,1319 142.17,1320 246.3,1321 338.654,1322 14021,1324 14.234,1325 0.678,1326 0.535,1327 14.234,1328 11.245,1329 10.326,1330 0.43,1331 0.285,1332 6.797,1333 10.145,1334 6.653,1335 5.505,1336 10.326,1337 6.838,1338 9.22,1339 0.271,1340 0.147,1341 9.22,1342 5.004,1343 8.235,1344 0.172,1345 0.077,1346 8.235,1347 3.678,1348 7.241,1349 0.11,1350 0.04,1351 7.241,1352 2.628,1353 6.252,1354 0.069,1355 0.021,1356 6.252,1357 1.883,1358 0.359,1359 63.353,1360 0.245,1361 20.265,1362 0.713,1363 116,1364 315.471,1365 122.311,1366 310.329,1367 435.94,1368 292,1369 140,1370 330.909,1371 146.977,1372 337.098,1373 498.66,1374 320,1375 5.17} {0 CHEMBL283656,1 1.557,2 7.714,3 1.856,4 3.444,5 80.13,6 7.457,7 0.652,8 3.744,9 3.861,10 3.313,11 3.265,12 4.882,13 3.254,14 4.26,15 4.439,16 3.659,17 3.655,18 5.416,19 3.621,20 4.454,21 4.652,22 3.611,23 3.779,24 5.426,25 3.702,26 4.564,27 4.775,28 3.618,29 3.854,30 5.505,31 3.743,32 4.606,33 4.844,34 3.636,35 3.859,36 5.514,37 3.747,38 4.662,39 4.912,40 3.629,41 3.795,42 5.699,43 3.688,44 4.538,45 4.805,46 3.266,47 3.511,48 5.631,49 3.39,50 4.146,51 4.415,52 2.79,53 3.029,54 5.292,55 2.897,56 0.031,57 0.567,58 7.701,59 3.293,60 8.152,61 4.329,62 0.242,63 0.913,64 14.421,65 5.211,66 35.292,67 7.258,68 0.223,69 1.034,70 18.278,71 6.771,72 31.552,73 9.241,74 0.316,75 1.138,76 20.654,77 7.939,78 30.873,79 11.051,80 0.159,81 1.16,82 22.02,83 8.462,84 21.598,85 12.097,86 0.207,87 1.165,88 24.175,89 8.651,90 30.802,91 12.355,92 0.356,93 0.931,94 22.997,95 7.086,96 60.341,97 9.959,98 0.378,99 0.593,100 15.99,101 4.607,102 51.076,103 6.461,104 13,105 32,106 0.278,107 0.664,108 0.84,109 0.877,110 0.887,111 0.887,112 3.104,113 0.901,114 -2.97,115 -2.97,116 -2.87,118 42.1,119 1,120 1,124 2,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 7,175 1,177 1,180 6,186 3,187 1,194 5,197 2,198 4,201 1,206 7,210 3,218 4,219 4,221 1,222 8,227 4,229 1,230 2,234 4,235 1,239 2,243 1,246 1,247 3,250 1,252 1,260 1,270 541,271 14.19,272 14.19,273 14.19,274 14.19,275 14.19,276 12.131,277 13.461,278 8.5,279 14.477,280 11.366,281 11.366,282 11.366,283 11.366,284 11.366,285 8.319,286 16.666,287 4.054,288 11.826,289 3.691,290 1.531,291 0.546,292 0.336,293 0.283,294 0.283,295 3.781,298 1,299 1,300 1,301 344,302 3,305 92.402,306 52.391,309 80.23,313 1.347,314 16.341,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 45.5,326 162,327 4.747,328 3.603,329 7.01,330 4.294,331 3.326,332 4.71,333 2.341,334 11.946,335 3.223,336 3.933,337 3.444,338 5.761,339 3.478,340 2.556,341 3.49,342 0.522,343 7.744,344 2.36,345 3.618,346 2.711,347 5.602,348 3.265,349 2.277,350 3.019,352 6.956,353 2.233,354 3.536,355 2.288,356 5.264,357 3.112,358 2.129,359 2.856,361 6.43,362 2.082,363 3.425,364 2.208,365 4.644,366 2.984,367 2.017,368 2.666,370 5.102,371 1.935,372 2.831,373 1.441,374 3.8,375 2.349,376 1.354,377 1.987,379 2.966,380 1.347,381 2.634,382 1.331,383 3.68,384 2.165,385 1.228,386 1.686,388 2.813,389 1.149,390 2.388,391 1.263,392 3.511,393 1.996,394 1.018,395 1.342,397 2.452,398 0.99,399 2.118,400 0.897,401 3.2,402 1.593,403 0.618,404 0.927,406 1.472,407 0.598,408 1.842,409 0.659,410 3,411 1.553,412 0.615,413 0.721,415 1.372,416 0.577,417 1.264,418 0.618,419 2.714,420 1.002,421 0.025,422 0.03,424 0.062,425 0.025,426 0.846,427 0.241,428 2.406,429 0.474,430 -0.498,431 -0.623,433 -1.282,434 -0.479,435 0.623,436 -0.275,437 2.285,438 0.164,439 -0.814,440 -1.044,442 -2,443 -0.781,444 0.449,445 -0.57,446 2,447 0.019,448 -0.963,449 -1.296,451 -2.067,452 -0.943,453 0.394,454 -0.89,455 1.789,456 -0.002,457 -1,458 -1.367,460 -2.388,461 -0.965,462 9.867,463 0.47,464 0.507,465 0.024,466 27.5,467 1.31,468 13.5,469 0.643,470 14,471 0.667,472 15.398,473 0.733,474 22.533,475 0.593,476 18.5,477 0.881,478 5.646,479 0.269,480 4.519,481 0.215,482 0.118,484 0.334,487 0.826,488 1.453,489 0.784,490 1.114,491 0.697,492 0.97,493 0.683,494 1.04,495 0.845,496 0.887,497 0.391,498 0.871,499 1.031,500 1.027,501 1.095,502 0.995,503 0.939,504 1.041,505 0.682,506 1.036,507 1.113,508 1.121,509 0.692,510 1.182,511 0.549,512 1.071,513 0.897,514 1.089,515 0.427,516 1.053,517 0.728,518 1.088,519 0.895,520 1.135,521 0.676,522 1.055,523 1.4,524 0.885,525 1.092,526 0.933,527 1.493,528 0.961,529 1.544,530 0.789,531 1.169,532 0.862,533 1.913,534 0.955,535 3.5,536 0.04,537 2.222,538 2.083,539 0.862,540 0.841,541 0.488,542 0.15,543 0.131,544 0.055,545 3977,546 11693,547 2.074,548 44.7,550 8,551 1,552 2,553 1,554 5,558 1.639,559 1.938,560 2.959,561 -0.291,562 1,563 1,565 1,567 59.179,568 1.557,569 3.717,570 4.702,571 4.912,572 4.965,573 4.965,574 2.47,575 4.011,576 4.358,577 3.116,578 654.261,579 7.505,580 6837.33,581 1,582 1,584 1,585 199.421,586 1.418,587 4.322,588 0.152,589 0.01,590 0.069,591 0.069,592 0.03,593 0.028,594 0.017,595 0.008,596 0.013,597 0.009,598 0.407,599 0.5,600 1,601 1.238,602 93.219,603 -0.064,604 -0.278,605 0.044,606 -0.072,607 -0.061,608 -0.014,609 0.117,610 0.106,611 0.048,612 0.09,613 0.203,614 0.07,615 -0.189,616 0.024,617 -0.182,618 0.003,619 -0.154,620 -0.073,621 0.039,622 -0.01,623 -0.204,624 -0.117,625 -0.057,626 -0.194,627 0.026,628 -0.094,629 0.025,630 -0.077,631 0.051,632 -0.032,633 0.066,634 -0.151,635 0.076,636 -0.153,637 0.088,638 -0.053,639 -0.166,640 -0.015,641 -0.037,642 0.005,643 -0.134,644 0.008,645 -0.049,646 0.05,647 -0.069,648 0.052,649 -0.209,650 -0.009,651 2.441,652 3.857,653 0.667,654 16.417,655 1.004,656 1.127,657 1.74,658 3.028,659 0.665,660 3.178,661 3.497,662 3.784,663 4.094,664 4.277,665 4.382,666 4.5,667 4.564,668 4.431,669 4.304,670 4.904,671 0.636,672 283.36,673 3.178,674 4.71,675 5.565,676 6.454,677 7.34,678 8.243,679 9.144,680 10.054,681 10.962,682 11.876,683 7.9,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,724 38,726 16,727 1,728 23,730 40,731 16,733 11,734 2,735 4,739 3,740 4,745 1,751 1,753 12,754 4,756 1,761 1,765 1,768 1,769 1,772 17,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,836 1,840 21,845 1,846 3,862 5.3,864 1,865 1,869 10.833,870 7.05,871 4.639,872 2.207,874 2.831,875 1.42,876 0.971,877 3.799,878 9.565,879 3.481,880 4.119,881 4.734,882 5.385,883 5.832,884 6.19,885 6.636,886 7.029,887 7.097,888 7.282,889 1,890 30,891 7.732,893 3.249,894 7.825,895 14.757,897 12.05,899 2.325,900 48.833,904 188.338,905 91.759,906 20.584,908 67.828,911 91.759,912 256.166,913 20.584,914 8.825,915 6.746,916 46.952,917 117.684,918 18.604,919 16.672,920 153.024,922 188.338,923 112.343,924 67.828,927 188.338,928 67.828,931 37.035,932 58.522,933 16.786,935 188.338,936 88.412,937 91.759,940 188.338,941 18.315,942 77.242,944 84.614,945 188.338,946 88.412,947 91.759,949 0.576,950 0.329,951 0.188,952 0.103,953 16,954 7,955 0.125,956 5,957 1,958 1.143,959 3.303,960 163.67,961 0.143,962 14,963 92.239,968 13.897,969 5.74,970 2.718,971 2.264,972 84.614,973 13.624,974 4.073,978 2.333,979 4.117,980 42.683,981 368.508,982 31.5,987 10.857,991 -0.775,994 38.145,995 42.82,996 0.297,997 0.708,998 0.896,999 0.936,1000 0.946,1001 0.946,1002 4.698,1003 1.018,1004 5.549,1005 2.813,1006 4.174,1007 4.804,1008 2.313,1009 6.385,1010 4.099,1011 5.921,1012 0.618,1013 7.119,1014 2.452,1015 3.761,1016 4.677,1017 2.243,1018 7.365,1019 3.646,1020 7.24,1021 0.615,1022 8.797,1023 1.472,1024 5.771,1025 7.083,1026 3.632,1027 10.529,1028 5.621,1029 8.603,1030 0.025,1031 10.543,1032 1.372,1033 6.236,1034 7.87,1035 4.112,1036 12.422,1037 6.046,1038 10.004,1039 -0.498,1040 12.335,1041 0.062,1042 7.71,1043 9.726,1044 5.202,1045 15.119,1046 7.492,1047 11.434,1048 -0.814,1049 14.158,1050 -1.282,1051 8.585,1052 10.943,1053 5.889,1054 17.38,1055 8.331,1056 12.889,1057 -0.963,1058 16.006,1059 -2,1060 9.866,1061 12.596,1062 6.849,1063 19.932,1064 9.587,1065 3.326,1066 -1,1067 17.873,1068 -2.067,1069 10.928,1070 14.008,1071 7.625,1072 22.333,1073 10.616,1074 2.556,1075 11.946,1076 19.755,1077 -2.388,1078 12.146,1079 15.59,1080 8.526,1081 24.837,1082 11.808,1083 2.277,1084 7.744,1085 21.649,1086 4.71,1087 13.288,1088 17.082,1089 9.342,1090 27.289,1091 12.92,1092 2.129,1093 6.956,1094 23.553,1095 3.49,1096 14.489,1097 18.641,1098 10.216,1099 29.777,1100 14.093,1101 2.017,1102 6.43,1103 25.465,1104 3.019,1105 15.664,1106 20.167,1107 11.051,1108 32.247,1109 15.238,1110 1.354,1111 5.102,1112 27.384,1113 2.856,1114 16.861,1115 21.718,1116 11.912,1117 34.731,1118 16.407,1119 1.228,1120 2.966,1121 29.308,1122 2.666,1123 18.051,1124 23.257,1125 12.755,1126 37.207,1127 17.567,1128 3949,1129 6841,1130 15.315,1131 25.256,1132 34.752,1133 35.088,1134 35.29,1135 34.349,1136 34.33,1137 46.866,1138 5.725,1139 98.63,1140 33.035,1141 5.567,1142 5.603,1143 6.689,1144 5.353,1145 5.326,1146 7.71,1147 3.925,1148 19.164,1149 5.223,1150 9.646,1151 1.511,1152 1.526,1153 1.534,1154 1.493,1155 1.493,1156 2.038,1157 0.249,1158 4.288,1159 1.436,1160 4.169,1161 4.204,1162 4.132,1163 4.078,1164 7.474,1165 4.087,1166 3.876,1167 3.943,1168 3.82,1169 3.669,1170 6.351,1171 3.699,1172 3.625,1173 3.661,1174 3.528,1175 3.46,1176 4.979,1177 3.465,1178 3.45,1179 3.493,1180 3.352,1181 3.308,1182 4.872,1183 3.311,1184 3.099,1185 3.155,1186 2.989,1187 2.901,1188 4.297,1189 2.909,1190 3.002,1191 3.093,1192 2.75,1193 2.782,1194 3.876,1195 2.765,1196 2.798,1197 2.867,1198 2.627,1199 2.617,1200 3.681,1201 2.611,1202 2.733,1203 2.802,1204 2.563,1205 2.498,1206 3.586,1207 2.514,1208 0.206,1209 0.157,1210 0.305,1211 0.187,1212 0.145,1213 4.747,1214 0.205,1215 3.603,1216 0.102,1217 7.01,1218 0.519,1219 4.294,1220 0.14,1221 3.326,1222 4.71,1223 2.341,1224 11.946,1225 3.223,1226 1.947,1227 1.922,1228 2.042,1229 2.039,1230 1.22,1231 2.04,1232 1.76,1233 1.708,1234 1.917,1235 1.941,1236 1.176,1237 1.937,1238 1.538,1239 1.485,1240 1.739,1241 1.759,1242 0.926,1243 1.752,1244 1.385,1245 1.331,1246 1.626,1247 1.611,1248 0.736,1249 1.611,1250 1.284,1251 1.212,1252 1.473,1253 1.524,1254 0.454,1255 1.512,1256 1.018,1257 0.976,1258 1.247,1259 1.287,1260 0.322,1261 1.269,1262 0.953,1263 0.873,1264 1.205,1265 1.167,1266 0.28,1267 1.2,1268 0.753,1269 0.692,1270 1.073,1271 1.009,1272 0.141,1273 1.032,1274 3.85,1276 5.165,1277 3.045,1278 6.666,1279 5.416,1280 8.261,1281 7.535,1282 9.916,1284 2.05,1289 8.926,1290 1.363,1300 24.181,1301 59.179,1302 141.24,1303 178.666,1304 186.666,1305 188.666,1306 188.666,1307 29.393,1308 6.733,1309 60.05,1310 60.05,1311 16,1312 12.39,1313 4.087,1314 3.248,1315 31.911,1316 61,1317 60,1318 0.268,1319 149.951,1320 247.68,1321 357.641,1322 6272,1324 14.82,1325 0.706,1326 0.565,1327 14.82,1328 11.86,1329 10.165,1330 0.442,1331 0.3,1332 6.808,1333 9.745,1334 6.627,1335 5.488,1336 10.165,1337 6.908,1338 9.156,1339 0.286,1340 0.16,1341 9.156,1342 5.112,1343 7.483,1344 0.174,1345 0.089,1346 7.483,1347 3.811,1348 6.372,1349 0.108,1350 0.047,1351 6.372,1352 2.761,1353 4.926,1354 0.069,1355 0.026,1356 4.926,1357 1.868,1358 0.401,1359 63.793,1360 0.256,1361 20.468,1362 0.793,1363 110,1364 322.821,1365 120.7,1366 312.809,1367 424.86,1368 292,1369 130,1370 311.117,1371 140.179,1372 315.19,1373 457.15,1374 296,1375 7.553} {0 CHEMBL283814,1 1.65,2 17.8,3 5.53,4 30.578,5 197.034,6 8.049,7 0.5,8 4.578,9 4.69,10 4.245,11 4.171,12 5.66,13 4.133,14 5.133,15 5.303,16 4.639,17 4.583,18 6.164,19 4.523,20 5.388,21 5.58,22 4.78,23 4.768,24 6.386,25 4.685,26 5.48,27 5.673,28 4.878,29 4.846,30 6.516,31 4.751,32 5.508,33 5.685,34 4.831,35 4.892,36 6.561,37 4.796,38 5.637,39 5.85,40 4.901,41 4.967,42 6.596,43 4.843,44 5.641,45 5.866,46 4.764,47 4.911,48 6.62,49 4.769,50 5.614,51 5.883,52 4.6,53 4.781,54 6.463,55 4.635,56 0.092,57 1.31,58 16.635,59 8.109,60 12.565,61 10.235,62 0.403,63 2.188,64 35.143,65 13.835,66 37.473,67 17.772,68 0.543,69 2.72,70 51.703,71 18.726,72 58.732,73 23.463,74 0.618,75 2.979,76 59.687,77 20.879,78 74.015,79 26.155,80 0.623,81 3.049,82 61.407,83 22.464,84 85.792,85 26.941,86 0.779,87 3.343,88 70.635,89 25.069,90 81.156,91 32.392,92 0.833,93 3.355,94 70.003,95 25.441,96 115.129,97 33.592,98 0.784,99 3.158,100 74.027,101 23.948,102 79.621,103 32.901,104 34,105 79,106 0.242,107 0.578,108 0.795,109 0.884,110 0.9,111 0.9,112 3.935,113 0.972,114 -6.66,115 -6.48,116 -6,118 43.2,119 2,120 4,124 6,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 16,171 3,172 16,180 19,185 2,186 18,194 13,197 2,198 26,206 18,209 2,210 14,218 22,221 4,222 13,229 28,233 5,234 11,242 18,246 1,247 19,255 13,259 19,267 10,270 5838,271 34.421,272 34.421,273 34.421,274 34.421,275 34.421,276 30.254,277 38.806,278 20.497,279 35.372,280 27.668,281 27.668,282 27.668,283 27.668,284 27.668,285 21.344,286 49.64,287 9.684,288 29.17,289 4.81,290 2.528,291 1.048,292 0.443,293 0.335,294 0.335,295 4.653,297 1,301 1968,302 4.796,305 185.437,306 565.445,307 137.274,309 152.645,310 386.131,313 2.728,314 45.319,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.44,325 106.833,326 890,327 4.76,328 3.682,329 7.162,330 4.355,331 3.412,332 4.506,333 2.443,334 12.583,335 3.228,336 4.562,337 3.671,338 6.753,339 4.106,340 3.129,341 4.292,342 1.926,343 11.01,344 3.058,345 4.347,346 3.587,347 6.619,348 3.919,349 2.983,350 3.992,351 0.995,352 10.503,353 2.774,354 4.211,355 3.208,356 6.326,357 3.816,358 2.872,359 3.823,360 0.795,361 9.527,362 2.7,363 3.967,364 3.184,365 5.709,366 3.584,367 2.614,368 3.532,369 0.359,370 7.888,371 2.541,372 3.689,373 2.916,374 5.535,375 3.352,376 2.375,377 3.194,378 0.286,379 7.142,380 2.299,381 3.652,382 2.683,383 5.22,384 3.282,385 2.33,386 2.929,388 6.304,389 2.205,390 3.625,391 2.583,392 5.179,393 3.138,394 2.177,395 2.825,397 6.071,398 2.085,399 3.422,400 2.417,401 5.066,402 3.006,403 2.083,404 2.615,406 5.984,407 1.922,408 3.261,409 2.205,410 5.025,411 2.889,412 1.937,413 2.484,415 5.822,416 1.833,417 3.11,418 2.055,419 4.886,420 2.744,421 1.799,422 2.288,424 5.167,425 1.696,426 3.027,427 1.976,428 4.812,429 2.678,430 1.746,431 2.131,433 5.143,434 1.607,435 2.874,436 1.864,437 4.613,438 2.478,439 1.539,440 2.029,442 4.449,443 1.438,444 2.858,445 1.824,446 4.033,447 2.448,448 1.477,449 1.996,451 3.237,452 1.419,453 2.833,454 1.635,455 3.835,456 2.35,457 1.414,458 1.933,460 3.166,461 1.29,462 24.348,463 0.487,464 1.11,465 0.022,466 64.75,467 1.295,468 32,469 0.64,470 32.75,471 0.655,472 56.385,473 1.128,474 52.452,475 0.596,476 57.347,477 1.147,478 12.443,479 0.249,480 11.963,481 0.239,482 0.098,484 0.337,487 0.603,488 1.251,489 0.661,490 0.977,491 0.512,492 0.923,493 0.83,494 1.057,495 0.748,496 0.868,497 0.585,498 0.858,499 1.111,500 1.02,501 0.953,502 0.92,503 0.977,504 0.893,505 1.051,506 1.077,507 1.027,508 1.037,509 1.104,510 0.961,511 1.181,512 1.144,513 1.23,514 1.183,515 1.385,516 1.075,517 0.876,518 0.988,519 0.97,520 0.983,521 0.95,522 1.048,523 0.684,524 1.136,525 1.058,526 1.146,527 0.69,528 1.164,529 0.783,530 0.882,531 0.957,532 0.91,533 0.605,534 0.941,535 8,536 0.34,537 5.111,538 4.639,539 2.549,540 1.928,541 1.422,542 0.889,543 0.639,544 0.41,545 50352,546 136904,547 2.142,548 43.2,549 2,550 22,552 2,554 5,555 7,558 1.853,559 2.027,560 4.01,561 -0.756,567 145.181,568 1.65,569 3.932,570 5.411,571 6.016,572 6.124,573 6.124,574 3.479,575 5.524,576 5.613,577 4.257,578 5214.21,579 9.992,580 106604,585 568.43,586 1.33,587 5.586,588 0.143,589 0.005,590 0.065,591 0.053,592 0.028,593 0.021,594 0.015,595 0.011,596 0.009,597 0.006,598 0.355,599 0.17,600 0.5,601 1.348,602 301.757,603 0.097,604 -0.113,605 0.062,606 -0.023,607 0.029,608 -0.002,609 0.051,610 0.041,611 0.09,612 0.09,613 0.055,614 0.078,615 -0.107,616 0.037,617 0.022,618 0.088,619 -0.069,620 0.067,621 -0.054,622 -0.022,623 0.029,624 0.017,625 -0.026,626 0.013,627 -0.148,628 -0.082,629 -0.184,630 -0.099,631 -0.14,632 -0.104,633 -0.009,634 0.016,635 0.003,636 0.006,637 -0.072,638 -0.058,639 0.107,640 -0.141,641 -0.082,642 -0.145,643 0.09,644 -0.16,645 0.008,646 0.081,647 0.042,648 0.048,649 0.023,650 0.075,651 1.898,652 6.614,653 0.7,654 72.691,655 1.003,656 1.121,657 5.428,658 29.465,659 0.694,660 4.043,661 4.382,662 4.71,663 5.05,664 5.308,665 5.513,666 5.762,667 5.994,668 6.165,669 6.31,670 10.135,671 0.656,672 708.35,673 4.043,674 5.602,675 6.475,676 7.376,677 8.272,678 9.185,679 10.093,680 11.015,681 11.932,682 12.86,683 8,686 1,691 1,692 1,693 3,697 1,699 12,700 3,703 1,704 11,705 1,706 28,708 1,723 1,724 88,726 32,727 2,728 56,730 94,731 38,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 2,748 1,751 4,753 26,754 12,756 4,759 1,761 2,764 1,765 3,772 38,773 8,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,819 1,828 1,832 4,834 1,836 2,837 1,840 50,846 10,848 1,851 1,856 1,859 1,861 1,862 3.4,865 2,867 1,869 24.667,870 16.71,871 11,872 5.662,874 5.458,875 1.543,876 1.009,877 10.623,878 15.503,879 4.317,880 4.934,881 5.539,882 6.174,883 6.669,884 7.046,885 7.525,886 7.969,887 8.334,888 8.686,889 0.917,890 88,891 18.553,893 7.966,894 7.656,895 35.862,897 30.036,899 2.156,900 107.778,904 447.302,905 229.307,906 75.092,907 39.149,908 61.518,910 31.278,911 198.029,912 547.969,913 75.092,914 17.65,915 28.431,916 94.762,917 141.533,918 74.447,919 1.358,920 455.037,921 39.149,922 447.302,923 273.122,924 61.518,925 70.426,927 368.076,928 143.916,931 88.399,932 131.44,933 89.26,934 31.278,935 447.302,936 136.611,937 268.456,940 447.302,941 98.799,942 138.703,944 167.564,945 447.302,946 136.611,947 268.456,949 0.577,950 0.344,951 0.198,952 0.106,953 38,954 17,955 0.128,956 12,957 3,958 1.171,959 5.602,960 573.303,961 0.171,962 35,963 280.193,964 1,968 34.387,969 15.447,970 7.385,972 131.54,973 23.31,974 13.128,977 1.784,978 10.841,979 2.154,981 852.368,982 74,985 1.034,987 25.403,990 5.066,991 1.256,994 88.232,995 98.624,996 0.255,997 0.609,998 0.838,999 0.931,1000 0.948,1001 0.948,1002 5.568,1003 2.177,1004 6.46,1005 6.304,1006 5.069,1007 5.624,1008 3.009,1009 7.313,1010 4.967,1011 6.78,1012 2.083,1013 8.037,1014 6.071,1015 4.635,1016 5.434,1017 2.648,1018 8.302,1019 4.469,1020 8.099,1021 1.937,1022 9.72,1023 5.984,1024 6.688,1025 7.841,1026 4.195,1027 11.475,1028 6.495,1029 9.458,1030 1.799,1031 11.468,1032 5.822,1033 7.124,1034 8.518,1035 4.537,1036 13.361,1037 6.864,1038 10.852,1039 1.746,1040 13.26,1041 5.167,1042 8.622,1043 10.375,1044 5.708,1045 16.055,1046 8.336,1047 12.273,1048 1.539,1049 15.084,1050 5.143,1051 9.464,1052 11.459,1053 6.331,1054 18.302,1055 9.112,1056 13.715,1057 1.477,1058 16.931,1059 4.449,1060 10.751,1061 13.09,1062 7.349,1063 20.849,1064 10.367,1065 3.412,1066 1.414,1067 18.796,1068 3.237,1069 11.781,1070 14.372,1071 8.103,1072 23.241,1073 11.337,1074 3.129,1075 12.583,1076 20.676,1077 3.166,1078 12.992,1079 15.907,1080 9.052,1081 25.746,1082 12.509,1083 2.983,1084 11.01,1085 22.566,1086 4.506,1087 14.109,1088 17.286,1089 9.872,1090 28.2,1091 13.569,1092 2.872,1093 10.503,1094 24.466,1095 4.292,1096 15.298,1097 18.782,1098 10.79,1099 30.698,1100 14.713,1101 2.614,1102 9.527,1103 26.374,1104 3.992,1105 16.455,1106 20.209,1107 11.644,1108 33.181,1109 15.816,1110 2.375,1111 7.888,1112 28.288,1113 3.823,1114 17.641,1115 21.691,1116 12.547,1117 35.683,1118 16.954,1119 2.33,1120 7.142,1121 30.207,1122 3.532,1123 18.819,1124 23.143,1125 13.419,1126 38.181,1127 18.079,1128 46761,1129 77295,1130 38.085,1131 61.091,1132 84.825,1133 85.93,1134 87.119,1135 83.981,1136 83.745,1137 109.741,1138 13.606,1139 244.116,1140 79.359,1141 5.707,1142 5.682,1143 6.964,1144 5.521,1145 5.412,1146 7.506,1147 4.174,1148 20.257,1149 5.228,1150 23.218,1151 1.515,1152 1.534,1153 1.556,1154 1.5,1155 1.495,1156 1.96,1157 0.243,1158 4.359,1159 1.417,1160 4.138,1161 4.171,1162 4.328,1163 4.085,1164 7.467,1165 4.057,1166 4.043,1167 4.077,1168 4.022,1169 3.945,1170 7.432,1171 3.948,1172 3.875,1173 3.904,1174 3.994,1175 3.828,1176 5.099,1177 3.81,1178 3.847,1179 3.899,1180 3.809,1181 3.729,1182 4.943,1183 3.732,1184 3.769,1185 3.81,1186 3.748,1187 3.61,1188 4.905,1189 3.633,1190 3.753,1191 3.799,1192 3.651,1193 3.591,1194 4.717,1195 3.593,1196 3.617,1197 3.655,1198 3.547,1199 3.365,1200 4.612,1201 3.395,1202 3.436,1203 3.505,1204 3.406,1205 3.27,1206 4.467,1207 3.267,1208 0.085,1209 0.066,1210 0.128,1211 0.078,1212 0.061,1213 4.76,1214 0.08,1215 3.682,1216 0.044,1217 7.162,1218 0.225,1219 4.355,1220 0.058,1221 3.412,1222 4.506,1223 2.443,1224 12.583,1225 3.228,1226 1.997,1227 1.97,1228 2.092,1229 2.137,1230 1.333,1231 2.118,1232 1.921,1233 1.901,1234 2.006,1235 2.009,1236 1.309,1237 2.014,1238 1.831,1239 1.792,1240 1.975,1241 1.963,1242 1.175,1243 1.973,1244 1.751,1245 1.716,1246 1.929,1247 1.904,1248 1.097,1249 1.913,1250 1.725,1251 1.674,1252 1.888,1253 1.863,1254 0.986,1255 1.876,1256 1.64,1257 1.602,1258 1.803,1259 1.822,1260 0.962,1261 1.811,1262 1.514,1263 1.462,1264 1.758,1265 1.783,1266 0.939,1267 1.777,1268 1.467,1269 1.415,1270 1.634,1271 1.672,1272 0.82,1273 1.665,1274 4.727,1276 6.061,1277 3.045,1278 7.587,1279 5.533,1280 9.206,1281 7.735,1282 10.878,1284 3.781,1285 6.74,1290 5.79,1292 5.035,1295 2.456,1300 57.738,1301 145.181,1302 345.98,1303 476.191,1304 529.41,1305 538.92,1306 538.92,1307 94.552,1308 10.045,1309 114.25,1310 142.49,1311 41,1312 13.366,1313 5.044,1314 4.248,1315 72.997,1316 310,1317 378,1318 0.114,1319 355.7,1320 619.79,1321 859.668,1322 428321,1323 1.1,1324 34.614,1325 0.692,1326 0.594,1327 35.467,1328 29.713,1329 24.406,1330 0.436,1331 0.324,1332 16.857,1333 22.836,1334 16.34,1335 13.464,1336 25.103,1337 18.152,1338 21.798,1339 0.276,1340 0.176,1341 22.785,1342 13.934,1343 18.769,1344 0.171,1345 0.096,1346 19.921,1347 10.577,1348 16.753,1349 0.108,1350 0.054,1351 18.172,1352 8.44,1353 13.554,1354 0.067,1355 0.03,1356 14.867,1357 6.092,1358 0.183,1359 159.392,1360 0.162,1361 42.903,1362 0.304,1363 270,1364 763.786,1365 333.574,1366 790.254,1367 1084.2,1368 742,1369 324,1370 774.813,1371 384.368,1372 805.083,1373 1187.14,1374 760,1375 7.174} {0 CHEMBL283815,1 1.693,2 19.537,3 5.81,4 33.756,5 207.347,6 8.153,7 0.467,8 4.646,9 4.752,10 4.316,11 4.218,12 5.758,13 4.19,14 5.201,15 5.364,16 4.717,17 4.626,18 6.293,19 4.576,20 5.451,21 5.637,22 4.866,23 4.805,24 6.497,25 4.741,26 5.546,27 5.718,28 4.968,29 4.876,30 6.678,31 4.813,32 5.569,33 5.732,34 4.953,35 4.928,36 6.696,37 4.857,38 5.692,39 5.889,40 4.993,41 5.01,42 6.724,43 4.904,44 5.732,45 5.949,46 4.847,47 4.967,48 6.777,49 4.838,50 5.703,51 5.962,52 4.695,53 4.815,54 6.652,55 4.683,56 0.132,57 1.386,58 17.266,59 8.724,60 14.994,61 10.676,62 0.691,63 2.288,64 37.248,65 14.816,66 56.088,67 18.674,68 0.687,69 2.852,70 54.175,71 19.574,72 73.976,73 24.133,74 1.006,75 3.092,76 62.36,77 20.921,78 111.291,79 24.549,80 0.889,81 3.171,82 62.757,83 22.796,84 109.386,85 26.452,86 0.993,87 3.481,88 74.414,89 26.258,90 99.134,91 32.721,92 1.194,93 3.522,94 78.382,95 27.696,96 149.002,97 36.149,98 1.175,99 3.257,100 80.033,101 26.188,102 114.858,103 35.514,104 58,105 85,106 0.246,107 0.582,108 0.801,109 0.886,110 0.901,111 0.901,112 4.01,113 0.961,114 -6.31,115 -6.14,116 -5.7,118 42.6,119 3,120 4,124 5,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,155 1,157 2,162 2,168 16,171 6,172 17,180 19,185 2,186 20,194 13,197 2,198 31,206 19,209 2,210 22,218 22,221 4,222 19,229 26,233 7,234 12,242 16,246 5,247 20,255 14,258 6,259 17,267 9,270 7228,271 36.835,272 36.835,273 36.835,274 36.835,275 36.835,276 32.615,277 41.159,278 21.805,279 37.896,280 29.596,281 29.596,282 29.596,283 29.596,284 29.596,285 23.016,286 51.234,287 10.276,288 31.246,289 4.862,290 2.541,291 1.032,292 0.444,293 0.343,294 0.343,295 4.723,297 1,301 2319,302 5.244,305 210.668,306 643.272,307 156.133,309 176.324,310 438.927,313 2.944,314 61.406,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 116.833,326 1055,327 4.777,328 3.79,329 7.189,330 4.377,331 3.435,332 4.518,333 2.443,334 12.683,335 3.245,336 4.561,337 3.682,338 6.753,339 4.105,340 3.128,341 4.292,342 2.226,343 11.009,344 3.057,345 4.362,346 3.67,347 6.688,348 3.963,349 3.021,350 4.001,351 1.926,352 10.741,353 2.835,354 4.241,355 3.611,356 6.369,357 3.858,358 2.917,359 3.838,360 0.908,361 9.687,362 2.728,363 3.976,364 3.226,365 6.033,366 3.63,367 2.693,368 3.528,369 0.795,370 8.579,371 2.531,372 3.882,373 3.149,374 5.707,375 3.501,376 2.518,377 3.195,378 0.648,379 7.39,380 2.45,381 3.687,382 2.839,383 5.533,384 3.352,385 2.374,386 3.11,387 0.286,388 7.321,389 2.299,390 3.651,391 2.737,392 5.493,393 3.272,394 2.337,395 2.935,396 0.077,397 6.826,398 2.177,399 3.64,400 2.583,401 5.117,402 3.148,403 2.183,404 2.825,406 6.075,407 2.104,408 3.415,409 2.542,410 5.029,411 3.059,412 2.116,413 2.62,415 6.008,416 1.973,417 3.267,418 2.173,419 4.977,420 2.894,421 1.92,422 2.492,424 5.412,425 1.866,426 3.152,427 2.122,428 4.909,429 2.715,430 1.802,431 2.351,433 5.295,434 1.631,435 2.88,436 1.985,437 4.675,438 2.489,439 1.546,440 2.032,442 4.559,443 1.459,444 2.873,445 1.847,446 4.188,447 2.473,448 1.512,449 2.018,451 3.699,452 1.431,453 2.847,454 1.824,455 4.159,456 2.351,457 1.414,458 1.958,460 3.372,461 1.292,462 26.014,463 0.482,464 1.288,465 0.024,466 69,467 1.278,468 33.5,469 0.62,470 35.5,471 0.657,472 62.758,473 1.162,474 57.386,475 0.61,476 64.905,477 1.202,478 13.302,479 0.246,480 12.925,481 0.239,482 0.124,484 0.354,487 0.63,488 1.279,489 0.656,490 1.012,491 0.527,492 0.937,493 0.736,494 1.048,495 0.73,496 0.866,497 0.546,498 0.855,499 1.045,500 1.05,501 0.923,502 0.932,503 0.919,504 0.876,505 1.397,506 1.045,507 1.106,508 0.99,509 1.393,510 0.931,511 1.237,512 1.154,513 1.162,514 1.159,515 1.358,516 1.062,517 0.916,518 1.058,519 1.042,520 1.065,521 0.974,522 1.076,523 0.705,524 1.125,525 1.136,526 1.188,527 0.723,528 1.194,529 0.789,530 0.897,531 0.905,532 0.943,533 0.68,534 0.969,535 9,536 0.353,537 6.222,538 4.667,539 3.364,540 2.407,541 1.645,542 0.895,543 0.841,544 0.614,545 63668,546 178913,547 2.108,548 42.6,549 2,550 21,552 2,554 5,555 10,558 1.868,559 1.976,560 4.126,561 -0.737,567 159.116,568 1.693,569 4.014,570 5.523,571 6.11,572 6.211,573 6.211,574 3.596,575 5.644,576 5.726,577 4.397,578 6291.66,579 10.203,580 139083,585 616.131,586 1.404,587 5.687,588 0.15,589 0.005,590 0.073,591 0.049,592 0.033,593 0.023,594 0.016,595 0.01,596 0.011,597 0.008,598 0.38,599 0.17,600 0.38,601 1.341,602 335.053,603 0.061,604 -0.13,605 0.06,606 -0.039,607 0.005,608 -0.01,609 0.147,610 0.048,611 0.11,612 0.104,613 0.092,614 0.086,615 -0.094,616 0.017,617 0.05,618 0.078,619 -0.066,620 0.086,621 -0.198,622 0.031,623 -0.044,624 0.053,625 -0.142,626 0.009,627 -0.162,628 -0.081,629 -0.143,630 -0.093,631 -0.137,632 -0.106,633 -0.032,634 -0.033,635 -0.033,636 -0.045,637 -0.07,638 -0.087,639 0.121,640 -0.147,641 -0.109,642 -0.185,643 0.081,644 -0.181,645 0.095,646 0.028,647 0.088,648 0.012,649 0.06,650 0.058,651 2.09,652 6.586,653 0.648,654 83.18,655 1.008,656 1.122,657 5.076,658 25.762,659 0.689,660 4.111,661 4.454,662 4.779,663 5.106,664 5.375,665 5.583,666 5.823,667 6.04,668 6.205,669 6.328,670 11.151,671 0.656,672 766.39,673 4.111,674 5.673,675 6.547,676 7.447,677 8.345,678 9.258,679 10.169,680 11.091,681 12.01,682 12.939,683 7.4,690 1,691 1,692 1,693 3,697 1,699 12,700 3,703 1,704 11,705 1,706 28,708 1,723 1,724 94,726 33,727 2,728 60,730 100,731 40,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 5,753 27,754 13,756 5,759 1,761 3,764 1,765 4,772 40,773 10,775 14,776 2,779 7,784 0.571,785 5,795 1,801 2,802 4,803 1,805 1,806 2,819 1,829 1,832 4,834 1,836 3,837 1,840 54,846 9,848 2,850 1,851 1,856 1,859 1,861 1,862 5.3,865 3,867 2,869 27.333,870 18.126,871 11.889,872 6.037,874 5.387,875 1.532,876 0.99,877 11.874,878 15.521,879 4.382,880 4.99,881 5.589,882 6.207,883 6.713,884 7.099,885 7.571,886 8.01,887 8.364,888 8.678,889 0.923,890 96,891 20.099,893 8.681,894 7.755,895 38.305,897 31.829,899 2.255,900 121.778,904 470.844,905 245.276,906 75.092,907 39.149,908 97.663,910 31.278,911 213.998,912 607.656,913 75.092,914 26.476,915 31.936,916 94.762,917 166.678,918 82.323,919 8.121,920 478.58,921 39.149,922 470.844,923 289.091,924 97.663,925 70.426,927 356.305,928 215.374,931 97.605,932 138.202,933 89.26,934 31.278,935 470.844,936 172.756,937 284.424,940 470.844,941 105.943,942 147.528,944 203.709,945 470.844,946 172.756,947 284.424,949 0.58,950 0.346,951 0.195,952 0.107,953 40,954 19,955 0.13,956 13,957 3,958 1.171,959 5.863,960 628.359,961 0.171,962 35,963 310.764,964 1,968 37.87,969 16.932,970 8.171,972 167.684,973 22.073,974 13.081,977 1.615,978 9.239,979 2.079,981 928.024,982 79,985 0.939,987 38.868,990 5.147,991 0.579,994 94.77,995 105.458,996 0.258,997 0.612,998 0.843,999 0.932,1000 0.948,1001 0.948,1002 5.638,1003 2.337,1004 6.538,1005 7.321,1006 5.142,1007 5.68,1008 3.371,1009 7.396,1010 5.037,1011 6.852,1012 2.183,1013 8.122,1014 6.826,1015 4.745,1016 5.509,1017 2.949,1018 8.4,1019 4.583,1020 8.172,1021 2.116,1022 9.812,1023 6.075,1024 6.77,1025 7.887,1026 4.614,1027 11.568,1028 6.57,1029 9.531,1030 1.92,1031 11.565,1032 6.008,1033 7.231,1034 8.573,1035 4.872,1036 13.454,1037 6.969,1038 10.925,1039 1.802,1040 13.361,1041 5.412,1042 8.712,1043 10.412,1044 6.113,1045 16.149,1046 8.416,1047 12.346,1048 1.546,1049 15.188,1050 5.295,1051 9.566,1052 11.498,1053 6.66,1054 18.393,1055 9.206,1056 13.787,1057 1.512,1058 17.036,1059 4.559,1060 10.845,1061 13.121,1062 7.716,1063 20.942,1064 10.448,1065 3.435,1066 1.414,1067 18.901,1068 3.699,1069 11.881,1070 14.403,1071 8.409,1072 23.335,1073 11.424,1074 3.128,1075 12.683,1076 20.78,1077 3.372,1078 13.089,1079 15.935,1080 9.375,1081 25.844,1082 12.589,1083 3.021,1084 11.009,1085 22.67,1086 4.518,1087 14.209,1088 17.314,1089 10.148,1090 28.301,1091 13.652,1092 2.917,1093 10.741,1094 24.57,1095 4.292,1096 15.398,1097 18.809,1098 11.068,1099 30.804,1100 14.794,1101 2.693,1102 9.687,1103 26.476,1104 4.001,1105 16.558,1106 20.237,1107 11.887,1108 33.292,1109 15.899,1110 2.518,1111 8.579,1112 28.389,1113 3.838,1114 17.747,1115 21.72,1116 12.785,1117 35.799,1118 17.038,1119 2.374,1120 7.39,1121 30.307,1122 3.528,1123 18.928,1124 23.173,1125 13.631,1126 38.304,1127 18.164,1128 59353,1129 99712,1130 40.282,1131 64.762,1132 91.648,1133 93.396,1134 94.232,1135 90.533,1136 90.301,1137 117.353,1138 18.614,1139 264.464,1140 85.487,1141 5.726,1142 5.79,1143 6.991,1144 5.546,1145 5.435,1146 7.518,1147 4.192,1148 20.397,1149 5.245,1150 28.648,1151 1.527,1152 1.557,1153 1.571,1154 1.509,1155 1.505,1156 1.956,1157 0.31,1158 4.408,1159 1.425,1160 4.139,1161 4.171,1162 4.33,1163 4.085,1164 7.468,1165 4.057,1166 4.049,1167 4.082,1168 4.024,1169 3.948,1170 7.434,1171 3.953,1172 3.872,1173 3.9,1174 3.993,1175 3.827,1176 7.43,1177 3.809,1178 3.837,1179 3.883,1180 3.82,1181 3.725,1182 5.099,1183 3.728,1184 3.805,1185 3.846,1186 3.754,1187 3.637,1188 4.943,1189 3.661,1190 3.754,1191 3.801,1192 3.651,1193 3.593,1194 4.906,1195 3.594,1196 3.621,1197 3.658,1198 3.567,1199 3.363,1200 4.736,1201 3.396,1202 3.49,1203 3.531,1204 3.513,1205 3.288,1206 4.617,1207 3.305,1208 0.08,1209 0.063,1210 0.12,1211 0.073,1212 0.057,1213 4.777,1214 0.075,1215 3.79,1216 0.041,1217 7.189,1218 0.211,1219 4.377,1220 0.054,1221 3.435,1222 4.518,1223 2.443,1224 12.683,1225 3.245,1226 1.992,1227 1.965,1228 2.083,1229 2.135,1230 1.318,1231 2.113,1232 1.922,1233 1.902,1234 2.004,1235 2.004,1236 1.286,1237 2.008,1238 1.807,1239 1.773,1240 1.964,1241 1.951,1242 1.187,1243 1.953,1244 1.782,1245 1.745,1246 1.928,1247 1.914,1248 1.102,1249 1.926,1250 1.725,1251 1.674,1252 1.907,1253 1.897,1254 1.039,1255 1.903,1256 1.67,1257 1.626,1258 1.826,1259 1.852,1260 0.984,1261 1.846,1262 1.546,1263 1.501,1264 1.803,1265 1.788,1266 0.939,1267 1.779,1268 1.514,1269 1.463,1270 1.722,1271 1.729,1272 0.863,1273 1.733,1274 4.796,1276 6.133,1277 3.045,1278 7.662,1279 5.533,1280 9.281,1281 7.751,1282 10.954,1284 5.718,1285 6.742,1290 3.329,1292 10.885,1294 -0.237,1295 1.722,1300 61.694,1301 159.116,1302 377.287,1303 519.138,1304 574.357,1305 583.867,1306 583.867,1307 121.455,1308 10.134,1309 140.55,1310 168.79,1311 41,1312 13.444,1313 5.087,1314 4.322,1315 82.306,1316 371,1317 436,1318 0.107,1319 379.95,1320 669.33,1321 918.837,1322 498854,1323 1.1,1324 37.769,1325 0.699,1326 0.591,1327 38.622,1328 31.9,1329 26.228,1330 0.437,1331 0.32,1332 17.874,1333 24.475,1334 17.324,1335 14.284,1336 26.925,1337 19.21,1338 23.551,1339 0.277,1340 0.172,1341 24.537,1342 14.63,1343 20.285,1344 0.172,1345 0.093,1346 21.438,1347 10.988,1348 17.66,1349 0.108,1350 0.052,1351 19.059,1352 8.537,1353 14.421,1354 0.067,1355 0.029,1356 15.789,1357 6.206,1358 0.173,1359 171.723,1360 0.158,1361 45.818,1362 0.28,1363 290,1364 881.257,1365 360.329,1366 892.492,1367 1215.54,1368 836,1369 348,1370 866.96,1371 414.515,1372 893.042,1373 1319.08,1374 842,1375 7.161} {0 CHEMBL283860,1 1.63,2 13.583,3 5.908,4 34.901,5 143.274,6 8.079,7 0.462,8 4.254,9 4.349,10 3.998,11 3.89,12 5.322,13 3.83,14 4.803,15 4.946,16 4.302,17 4.294,18 6.067,19 4.206,20 5.114,21 5.309,22 4.353,23 4.464,24 6.144,25 4.332,26 5.189,27 5.407,28 4.284,29 4.443,30 6.217,31 4.304,32 5.142,33 5.344,34 4.296,35 4.416,36 6.213,37 4.29,38 5.136,39 5.355,40 4.318,41 4.426,42 6.196,43 4.3,44 5.149,45 5.374,46 4.234,47 4.458,48 6.054,49 4.311,50 5.202,51 5.444,52 4.286,53 4.459,54 6.136,55 4.311,56 0.102,57 0.879,58 14.926,59 6.62,60 22.487,61 7.884,62 0.398,63 1.452,64 25.381,65 11.387,66 81.255,67 14.25,68 0.369,69 1.91,70 42.628,71 16.34,72 78.266,73 20.026,74 0.513,75 2.028,76 50.097,77 17.753,78 99.941,79 21.502,80 0.521,81 1.901,82 44.505,83 16.29,84 106.872,85 19.719,86 0.529,87 1.899,88 42.214,89 16.21,90 94.993,91 21.044,92 0.306,93 1.968,94 40.194,95 16.62,96 62.208,97 21.938,98 0.311,99 2.061,100 48.141,101 18.204,102 66.393,103 23.714,104 32,105 54,106 0.257,107 0.592,108 0.79,109 0.892,110 0.892,111 0.892,112 3.616,113 1.066,114 -5.11,115 -5,116 -4.69,118 43.1,120 7,126 1,133 2,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 3,180 27,181 1,186 7,191 5,194 28,195 1,198 10,203 5,206 22,207 1,210 7,215 3,218 23,219 1,222 9,227 5,229 25,230 1,234 8,239 3,242 22,243 2,247 10,252 4,255 19,256 3,259 9,262 1,264 5,267 16,268 4,270 2846,271 23.971,272 23.971,273 23.971,274 23.971,275 23.971,276 21.067,277 24.359,278 14.404,279 24.349,280 19.32,281 19.32,282 19.32,283 19.32,284 19.32,285 14.884,286 22.602,287 6.96,288 19.998,289 4.392,290 2.271,291 1.015,292 0.369,293 0.369,294 0.369,295 4.309,297 1,300 1,301 1035,302 4.472,306 455.634,310 174.738,313 2.185,314 44.85,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 77.333,326 489,327 4.852,328 4.686,329 7.308,330 4.314,331 3.394,332 4.7,333 2.341,334 12.509,335 3.131,336 4.451,337 3.596,338 6.55,339 4.096,340 3.099,341 4.135,342 0.68,343 10.405,344 3.053,345 3.936,346 3.29,347 5.56,348 3.591,349 2.598,350 3.466,352 7.619,353 2.579,354 3.84,355 2.903,356 5.471,357 3.392,358 2.441,359 3.395,361 7.185,362 2.341,363 3.572,364 2.891,365 5.171,366 3.267,367 2.324,368 2.846,370 6.317,371 2.222,372 3.545,373 2.537,374 5.037,375 3.236,376 2.233,377 2.793,379 6.045,380 2.133,381 3.493,382 2.246,383 5.005,384 3.092,385 2.099,386 2.707,388 5.763,389 2.084,390 3.177,391 2.128,392 4.659,393 2.886,394 1.907,395 2.335,397 5.182,398 1.854,399 3.018,400 1.914,401 4.61,402 2.568,403 1.572,404 2.117,406 4.54,407 1.563,408 2.875,409 1.699,410 3.999,411 2.506,412 1.551,413 2.018,415 3.464,416 1.413,417 2.857,418 1.544,419 3.616,420 2.39,421 1.422,422 1.882,424 3.073,425 1.372,426 2.5,427 1.401,428 3.554,429 2.154,430 1.156,431 1.5,433 2.799,434 1.151,435 2.5,436 1.099,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.27,445 1,446 3.247,447 1.956,448 1,449 1.23,451 2.136,452 0.953,453 2.041,454 1,455 3.231,456 1.71,457 0.709,458 0.877,460 1.529,461 0.707,462 17.681,463 0.491,464 0.96,465 0.027,466 45.5,467 1.264,468 24,469 0.667,470 21.5,471 0.597,472 34.813,473 0.967,474 38.719,475 0.596,476 37.065,477 1.03,478 8.559,479 0.238,480 8.738,481 0.243,482 0.116,483 0.047,484 0.255,487 0.568,488 1.15,489 0.734,490 1.076,491 0.661,492 0.915,493 0.459,494 1.106,495 0.793,496 1.004,497 0.435,498 1.026,499 0.877,500 1.087,501 1.045,502 1.08,503 0.826,504 1.07,505 1.003,506 1.012,507 1.09,508 1.079,509 0.998,510 1.014,511 1.11,512 1.024,513 0.837,514 0.953,515 1.261,516 1.034,517 0.589,518 0.993,519 0.729,520 0.949,521 0.639,522 0.993,523 0.567,524 1.039,525 0.754,526 0.959,527 0.548,528 1.056,529 0.529,530 1.043,531 0.822,532 1.015,533 0.464,534 0.97,535 8.5,536 0.272,537 3.556,538 2.5,539 1.831,540 1.278,541 0.766,542 0.658,543 0.496,544 0.414,545 19577,546 61276,547 2.049,548 44.6,549 8,550 11,552 2,553 2,554 2,555 4,558 1.779,559 1.92,560 3.702,561 0.148,567 105.967,568 1.63,569 3.751,570 5.007,571 5.653,572 5.653,573 5.653,574 3.243,575 4.482,576 5.132,577 3.91,578 2463.46,579 9.056,580 40433.3,585 391.454,586 1.493,587 5.096,588 0.218,589 0.006,590 0.066,591 0.046,592 0.036,593 0.026,594 0.015,595 0.013,596 0.01,597 0.009,598 0.444,599 0.17,600 0.88,601 1.401,602 197.552,603 0.043,604 -0.013,605 0.124,606 -0.002,607 -0.095,608 0.051,609 0.256,610 -0.028,611 0.011,612 -0.028,613 0.264,614 -0.068,615 -0.085,616 -0.062,617 -0.082,618 -0.055,619 -0.053,620 -0.076,621 -0.104,622 0.001,623 -0.093,624 -0.033,625 -0.068,626 -0.015,627 -0.137,628 -0.036,629 -0.027,630 0.006,631 -0.162,632 -0.063,633 0.124,634 -0.022,635 0.086,636 -0.014,637 0.088,638 0.007,639 0.003,640 -0.058,641 0.007,642 -0.028,643 -0.001,644 -0.05,645 0.066,646 -0.062,647 0.075,648 -0.021,649 0.091,650 0.057,651 4.571,652 5.935,653 0.611,654 48.611,655 1.004,656 1.116,657 3.879,658 15.044,659 0.692,660 3.689,661 4.007,662 4.205,663 4.454,664 4.7,665 4.812,666 4.942,667 5.159,668 5.273,669 5.398,670 8.136,671 0.651,672 525.11,673 3.689,674 5.231,675 6.057,676 6.93,677 7.779,678 8.661,679 9.521,680 10.411,681 11.278,682 12.173,683 3.1,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 65,726 22,727 2,728 39,730 68,731 28,733 17,734 6,735 6,736 2,739 4,740 5,741 1,748 4,751 8,753 20,754 8,756 4,760 1,761 3,763 2,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,837 1,840 36,844 1,845 1,846 7,847 1,850 1,861 1,862 6.2,864 1,865 3,869 18.75,870 11.293,871 7.847,872 3.955,874 3.056,875 1.379,876 0.972,877 8.71,878 11.123,879 3.97,880 4.559,881 5.012,882 5.534,883 6.052,884 6.261,885 6.552,886 6.901,887 7.239,888 7.585,889 1,890 54,891 13.602,893 6.054,894 7.908,895 25.553,897 21.493,899 2.408,900 86.694,904 317.82,905 158.296,906 33.191,907 39.149,908 112.141,910 5.807,911 152.488,912 469.11,913 33.191,915 17.742,916 116.975,917 153.379,918 39.074,920 294.278,921 39.149,922 317.82,923 185.679,924 112.141,925 44.956,927 270.735,928 159.226,931 52.242,932 97.699,933 80.694,935 317.82,936 145.332,937 197.444,939 5.807,940 317.82,941 39.631,942 112.857,943 16.405,944 168.075,945 317.82,946 145.332,947 197.444,949 0.579,950 0.313,951 0.162,952 0.091,953 24,954 11,955 0.147,956 10,957 1,958 1.091,959 4.645,960 335.235,961 0.091,962 22,963 180.117,967 1,968 26.251,969 11.945,970 7.351,972 145.332,973 18.086,974 4.215,978 6.398,980 59.088,981 660.596,982 52,986 -3.654,987 36.665,989 4.105,991 -0.786,994 65.283,995 72.511,996 0.271,997 0.623,998 0.831,999 0.939,1000 0.939,1001 0.939,1002 5.207,1003 1.907,1004 6.057,1005 5.763,1006 4.691,1007 5.247,1008 2.35,1009 6.864,1010 4.626,1011 6.426,1012 1.572,1013 7.615,1014 5.182,1015 4.369,1016 5.223,1017 2.243,1018 7.96,1019 4.21,1020 7.753,1021 1.551,1022 9.287,1023 4.54,1024 6.315,1025 7.484,1026 3.64,1027 10.996,1028 6.173,1029 9.12,1030 1.422,1031 11.033,1032 3.464,1033 6.804,1034 8.289,1035 4.112,1036 12.976,1037 6.55,1038 10.525,1039 1.156,1040 12.831,1041 3.073,1042 8.264,1043 10.084,1044 5.203,1045 15.619,1046 8.015,1047 11.958,1048 1,1049 14.668,1050 2.799,1051 9.136,1052 11.272,1053 5.889,1054 17.938,1055 8.778,1056 13.415,1057 1,1058 16.535,1059 2.275,1060 10.416,1061 12.897,1062 6.849,1063 20.476,1064 10.037,1065 3.394,1066 0.709,1067 18.425,1068 2.136,1069 11.469,1070 14.266,1071 7.625,1072 22.917,1073 10.991,1074 3.099,1075 12.509,1076 20.334,1077 1.529,1078 12.686,1079 15.826,1080 8.526,1081 25.431,1082 12.166,1083 2.598,1084 10.405,1085 22.258,1086 4.7,1087 13.821,1088 17.281,1089 9.342,1090 27.917,1091 13.212,1092 2.441,1093 7.619,1094 24.193,1095 4.135,1096 15.021,1097 18.819,1098 10.216,1099 30.428,1100 14.354,1101 2.324,1102 7.185,1103 26.138,1104 3.466,1105 16.193,1106 20.315,1107 11.051,1108 32.932,1109 15.444,1110 2.233,1111 6.317,1112 28.09,1113 3.395,1114 17.391,1115 21.847,1116 11.912,1117 35.446,1118 16.575,1119 2.099,1120 6.045,1121 30.048,1122 2.846,1123 18.581,1124 23.363,1125 12.755,1126 37.958,1127 17.685,1128 18939,1129 33707,1130 25.83,1131 44.995,1132 57.853,1133 59.547,1134 58.546,1135 57.487,1136 57.222,1137 75.246,1138 6.042,1139 162.254,1140 55.319,1141 5.799,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.86,1149 5.131,1150 18.775,1151 1.483,1152 1.527,1153 1.501,1154 1.474,1155 1.467,1156 1.929,1157 0.155,1158 4.16,1159 1.418,1160 4.115,1161 4.122,1162 4.737,1163 4.087,1164 7.717,1165 4.034,1166 4.007,1167 4.003,1168 3.993,1169 3.981,1170 7.474,1171 3.939,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.759,1178 3.737,1179 3.783,1180 3.781,1181 3.622,1182 6.351,1183 3.603,1184 3.655,1185 3.672,1186 3.606,1187 3.564,1188 4.933,1189 3.522,1190 3.491,1191 3.496,1192 3.433,1193 3.395,1194 4.901,1195 3.355,1196 3.411,1197 3.444,1198 3.313,1199 3.263,1200 4.715,1201 3.266,1202 3.135,1203 3.185,1204 3.158,1205 2.968,1206 4.3,1207 2.965,1208 0.124,1209 0.12,1210 0.187,1211 0.111,1212 0.087,1213 4.852,1214 0.121,1215 4.686,1216 0.06,1217 7.308,1218 0.321,1219 4.314,1220 0.08,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.131,1226 2.045,1227 2.026,1228 2.148,1229 2.119,1230 1.463,1231 2.139,1232 1.946,1233 1.953,1234 1.973,1235 2.007,1236 1.25,1237 2.042,1238 1.836,1239 1.799,1240 1.957,1241 1.952,1242 1.18,1243 1.961,1244 1.728,1245 1.68,1246 1.943,1247 1.887,1248 1.13,1249 1.908,1250 1.589,1251 1.56,1252 1.756,1253 1.739,1254 0.925,1255 1.755,1256 1.38,1257 1.396,1258 1.591,1259 1.572,1260 0.782,1261 1.575,1262 1.376,1263 1.341,1264 1.449,1265 1.522,1266 0.7,1267 1.566,1268 1.113,1269 1.06,1270 1.352,1271 1.321,1272 0.578,1273 1.354,1274 4.369,1276 5.687,1278 7.191,1280 8.785,1282 10.431,1285 5.914,1289 8.871,1290 4.214,1291 2.876,1294 -0.209,1300 42.292,1301 105.967,1302 243.831,1303 325.454,1304 367.454,1305 367.454,1306 367.454,1307 91.749,1308 8.067,1309 96.36,1310 104.74,1311 24,1312 12.705,1313 4.524,1314 3.807,1315 61.849,1316 169,1317 194,1318 0.171,1319 266.618,1320 472.66,1321 642.309,1322 36999,1323 1.5,1324 25.545,1325 0.71,1326 0.595,1327 26.295,1328 21.433,1329 17.298,1330 0.444,1331 0.355,1332 12.067,1333 15.829,1334 11.642,1335 9.616,1336 18.407,1337 13.859,1338 16.122,1339 0.299,1340 0.208,1341 17.83,1342 11.214,1343 12.211,1344 0.185,1345 0.122,1346 13.604,1347 8.07,1348 10.096,1349 0.119,1350 0.07,1351 11.285,1352 5.967,1353 8.166,1354 0.075,1355 0.041,1356 9.275,1357 4.499,1358 0.27,1359 118.208,1360 0.197,1361 33.186,1362 0.466,1363 186,1364 542.398,1365 250.244,1366 579.539,1367 761.91,1368 532,1369 213,1370 491.464,1371 277.977,1372 547.49,1373 787.65,1374 513,1375 5.377} {0 CHEMBL284356,1 1.334,2 6.389,3 3.075,4 9.456,5 73.651,6 6.839,7 0.75,8 3.645,9 3.782,10 3.162,11 3.207,12 4.666,13 3.166,14 4.173,15 4.37,16 3.499,17 3.61,18 5.091,19 3.544,20 4.359,21 4.579,22 3.439,23 3.704,24 5.196,25 3.586,26 4.479,27 4.741,28 3.413,29 3.715,30 5.258,31 3.584,32 4.423,33 4.672,34 3.377,35 3.689,36 5.212,37 3.551,38 4.452,39 4.719,40 3.311,41 3.657,42 5.298,43 3.509,44 4.381,45 4.678,46 2.784,47 3.447,48 5.168,49 3.206,50 3.998,51 4.386,52 1.708,53 2.716,54 4.585,55 2.372,56 0.038,57 0.529,58 7.843,59 3.077,60 7.818,61 4.442,62 0.126,63 0.853,64 14.058,65 5.156,66 12.757,67 7.554,68 0.099,69 0.967,70 17.082,71 6.678,72 14.325,73 9.748,74 0.196,75 1.055,76 20.037,77 7.011,78 18.192,79 10.487,80 0.112,81 0.993,82 18.569,83 7.126,84 14.892,85 10.495,86 0.182,87 1.011,88 19.528,89 6.941,90 22.331,91 10.366,92 0.121,93 0.866,94 18.384,95 6.971,96 23.994,97 10.367,98 0.133,99 0.517,100 13.405,101 4.289,102 18.238,103 6.73,104 6,105 28,106 0.244,107 0.633,108 0.783,109 0.824,110 0.835,111 0.835,112 2.963,113 0.946,114 -3.58,115 -3.56,116 -3.39,118 42.9,119 2,121 1,124 1,140 4,141 2,143 1,149 1,150 2,156 1,168 7,171 1,172 1,177 4,180 7,186 1,191 4,194 7,198 3,201 1,203 1,206 5,210 5,218 6,222 3,225 1,229 4,234 4,247 1,270 374,271 12.276,272 12.276,273 12.276,274 12.276,275 12.276,276 10.522,277 11.664,278 7.328,279 12.501,280 9.9,281 9.9,282 9.9,283 9.9,284 9.9,285 7.273,286 15.076,287 3.487,288 10.269,289 3.796,290 1.662,291 0.843,292 0.615,293 0.557,294 0.557,295 3.637,298 1,299 1,300 1,301 248,302 2.55,305 74.359,306 43.211,309 65.121,313 0.944,314 6.42,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37.5,326 115,327 4.651,328 3.399,329 6.836,330 4.221,331 3.24,332 4.584,333 0.522,334 11.357,335 3.18,336 3.923,337 2.662,338 5.839,339 3.454,340 2.525,341 3.487,343 7.767,344 2.414,345 3.718,346 2.586,347 5.417,348 3.404,349 2.424,350 3.105,352 7.114,353 2.306,354 3.223,355 1.973,356 4.976,357 2.816,358 1.837,359 2.509,361 5.438,362 1.795,363 2.933,364 1.499,365 4.118,366 2.475,367 1.491,368 2.113,370 3.461,371 1.464,372 2.655,373 1.318,374 3.6,375 2.208,376 1.249,377 1.712,379 2.835,380 1.197,381 2.397,382 1.087,383 3.499,384 2.017,385 1.058,386 1.37,388 2.477,389 1.012,390 2.118,391 0.725,392 3.25,393 1.613,394 0.649,395 0.927,397 1.626,398 0.624,399 2.06,400 0.618,401 3,402 1.553,403 0.618,404 0.894,406 1.372,407 0.577,408 1.094,409 -0.043,410 2.645,411 0.748,412 -0.209,413 -0.266,415 -0.56,416 -0.199,417 0.688,418 -0.678,419 2.295,420 0.214,421 -0.77,422 -1,424 -1.934,425 -0.754,426 0.479,427 -0.882,428 2,429 0.009,430 -0.955,431 -1.051,433 -2,434 -0.921,435 0.15,436 -1,437 1.917,439 -1,440 -1.328,442 -2.467,443 -1,445 -1.052,446 1.505,447 -0.221,448 -1.197,449 -1.568,451 -3.259,452 -1.168,453 -0.118,454 -1.382,455 1.299,456 -0.629,457 -1.589,458 -2.016,460 -4.056,461 -1.465,462 8.7,463 0.483,464 0.418,465 0.023,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 13.181,473 0.732,474 18.9,475 0.54,476 13.744,477 0.764,478 4.544,479 0.252,480 4.21,481 0.234,482 0.115,484 0.333,487 1.017,488 1.368,489 0.865,490 1.077,491 0.941,492 0.978,493 1.136,494 0.997,495 0.897,496 0.882,497 0.848,498 0.87,499 0.899,500 1.207,501 1.054,502 1.174,503 0.923,504 1.136,505 1.225,506 0.87,507 1.039,508 0.902,509 1.052,510 0.944,511 0.841,512 1.142,513 1.001,514 1.116,515 0.669,516 1.081,517 1.123,518 0.942,519 1.067,520 0.989,521 0.956,522 1.017,523 0.801,524 1.115,525 1.162,526 1.238,527 1.29,528 1.234,529 1.082,530 0.572,531 0.867,532 0.658,533 1.442,534 0.728,535 3,537 1.778,538 1.486,539 0.982,540 0.566,541 0.275,542 0.125,543 0.01,545 2610,546 5643,547 2.12,548 48.6,549 6,550 6,551 1,552 2,553 1,554 1,558 1.594,559 2,560 2.716,561 -0.334,563 1,565 1,567 46.68,568 1.334,569 3.467,570 4.286,571 4.515,572 4.572,573 4.572,574 2.135,575 3.614,576 4.142,577 2.822,578 431.7,579 7.067,580 4056.54,581 1,582 1,584 1,585 179.525,586 1.352,587 4.109,588 0.15,590 0.063,591 0.059,592 0.041,593 0.025,594 0.013,595 0.013,596 0.005,598 0.369,599 1,600 1,601 0.816,602 74.443,603 0.021,604 -0.199,605 0.069,606 -0.053,607 -0.005,608 0.001,609 0.024,610 0.113,611 0.067,612 0.103,613 0.066,614 0.091,615 -0.045,616 -0.192,617 -0.11,618 -0.17,619 -0.106,620 -0.15,621 -0.092,622 0.134,623 -0.056,624 0.05,625 -0.128,626 0.009,627 -0.002,628 -0.174,629 -0.046,630 -0.123,631 0.108,632 -0.095,633 -0.054,634 0.039,635 -0.089,636 -0.033,637 0.041,638 -0.059,639 -0.046,640 -0.24,641 -0.201,642 -0.263,643 -0.169,644 -0.249,645 -0.045,646 0.207,647 0.163,648 0.243,649 -0.092,650 0.225,651 0.837,652 1.11,653 0.778,654 11.111,655 0.985,656 1.126,657 2.354,658 5.541,659 0.667,660 3.045,661 3.367,662 3.664,663 3.97,664 4.127,665 4.22,666 4.263,667 4.29,668 4.111,669 3.85,670 4.193,671 0.621,672 239.35,673 3.045,674 4.575,675 5.434,676 6.323,677 7.209,678 8.107,679 9.003,680 9.906,681 10.806,682 11.711,683 8.6,691 2,693 1,698 2,699 7,700 1,701 1,704 2,705 1,706 15,724 35,726 15,727 1,728 20,730 37,731 15,733 11,734 2,735 4,739 3,740 4,745 2,753 11,754 4,755 1,769 1,772 17,773 1,774 1,775 3,778 1,779 3,784 0.667,797 1,801 2,802 1,805 1,832 2,836 2,840 18,846 1,850 1,869 9,870 6.817,871 3.944,872 2.165,874 2.859,875 1.443,876 1.01,877 2.862,878 9.317,879 3.35,880 3.998,881 4.649,882 5.299,883 5.727,884 6.088,885 6.487,886 6.872,887 6.889,888 7.008,889 1,890 25,891 6.627,893 2.751,894 7.444,895 13.062,897 10.797,899 1.944,900 35,901 0.003,904 188.338,905 95.034,906 35.47,911 95.034,912 188.338,913 35.47,914 17.65,915 2.106,916 46.952,917 48.946,918 33.491,919 16.672,920 153.024,922 188.338,923 130.504,927 188.338,931 56.107,932 57.612,933 16.786,935 188.338,936 35.47,937 95.034,940 188.338,941 12.765,942 84.168,943 16.786,944 16.786,945 188.338,946 35.47,947 95.034,949 0.579,950 0.34,951 0.196,952 0.104,953 15,954 6,955 0.081,956 3,957 1,958 1.143,959 3.044,960 133.656,961 0.143,962 14,963 73.059,968 11.393,969 4.523,970 2.064,971 2.534,972 16.786,973 14.186,974 4.11,975 3.542,978 2.698,979 2.113,980 16.786,981 318.842,982 27.5,994 34.491,995 39.401,996 0.26,997 0.676,998 0.836,999 0.88,1000 0.891,1001 0.891,1002 4.562,1003 0.649,1004 5.416,1005 2.477,1006 4.043,1007 4.682,1008 0.434,1009 6.248,1010 3.976,1011 5.78,1012 0.618,1013 6.982,1014 1.626,1015 3.611,1016 4.477,1018 7.2,1019 3.531,1020 7.092,1021 -0.209,1022 8.655,1023 1.372,1024 5.638,1025 6.963,1026 0.138,1027 10.346,1028 5.516,1029 8.45,1030 -0.77,1031 10.393,1032 -0.56,1033 6.089,1034 7.693,1036 12.189,1037 5.957,1038 9.846,1039 -0.955,1040 12.173,1041 -1.934,1042 7.565,1043 9.583,1044 0.039,1045 14.847,1046 7.403,1047 11.27,1048 -1,1049 13.984,1050 -2,1051 8.414,1052 10.748,1054 17.046,1055 8.243,1056 12.716,1057 -1.197,1058 15.816,1059 -2.467,1060 9.684,1061 12.405,1062 0.011,1063 19.55,1064 9.493,1065 3.24,1066 -1.589,1067 17.665,1068 -3.259,1069 10.713,1070 13.771,1072 21.891,1073 10.512,1074 2.525,1075 11.357,1076 19.527,1077 -4.056,1078 11.911,1079 15.339,1080 0.003,1081 24.345,1082 11.692,1083 2.424,1084 7.767,1085 21.399,1086 4.584,1087 13.019,1088 16.793,1090 26.74,1091 12.788,1092 1.837,1093 7.114,1094 23.28,1095 3.487,1096 14.195,1097 18.33,1098 0.001,1099 29.177,1100 13.948,1101 1.491,1102 5.438,1103 25.167,1104 3.105,1105 15.338,1106 19.822,1108 31.593,1109 15.077,1110 1.249,1111 3.461,1112 27.06,1113 2.509,1114 16.508,1115 21.347,1117 34.026,1118 16.231,1119 1.058,1120 2.835,1121 28.959,1122 2.113,1123 17.668,1124 22.856,1126 36.45,1127 17.375,1128 2568,1129 3855,1130 13.523,1131 23.347,1132 30.606,1133 30.151,1134 30.67,1135 30.153,1136 30.183,1137 41.401,1138 1.043,1139 86.893,1140 29.137,1141 5.448,1142 5.399,1143 6.517,1144 5.28,1145 5.24,1146 7.584,1147 1.043,1148 18.565,1149 5.18,1150 6.875,1151 1.53,1152 1.508,1153 1.534,1154 1.508,1155 1.509,1156 2.07,1157 0.052,1158 4.345,1159 1.457,1160 4.156,1161 4.193,1162 4.116,1163 4.069,1164 4.996,1165 4.076,1166 3.873,1167 3.94,1168 3.816,1169 3.669,1170 4.901,1171 3.698,1172 3.616,1173 3.676,1174 3.481,1175 3.508,1176 4.341,1177 3.494,1178 3.283,1179 3.353,1180 3.127,1181 3.149,1182 4.014,1183 3.135,1184 3.035,1185 3.118,1186 2.904,1187 2.858,1188 3.831,1189 2.859,1190 2.874,1191 3.009,1192 2.604,1193 2.618,1194 3.564,1195 2.591,1196 2.776,1197 2.858,1198 2.499,1199 2.604,1200 3.467,1201 2.57,1202 2.471,1203 2.571,1204 2.261,1205 2.28,1206 3.33,1207 2.263,1208 0.233,1209 0.17,1210 0.342,1211 0.211,1212 0.162,1213 4.651,1214 0.229,1215 3.399,1216 0.026,1217 6.836,1218 0.568,1219 4.221,1220 0.159,1221 3.24,1222 4.584,1223 0.522,1224 11.357,1225 3.18,1226 1.94,1227 1.917,1228 2.037,1229 2.02,1230 1.246,1231 2.027,1232 1.776,1233 1.724,1234 1.967,1235 1.944,1236 1.137,1237 1.951,1238 1.535,1239 1.464,1240 1.741,1241 1.758,1242 0.913,1243 1.762,1244 1.305,1245 1.24,1246 1.491,1247 1.526,1248 0.513,1249 1.518,1250 1.181,1251 1.105,1252 1.417,1253 1.434,1254 0.469,1255 1.432,1256 1.014,1257 0.958,1258 1.377,1259 1.239,1260 0.376,1261 1.308,1262 0.934,1263 0.804,1264 1.213,1265 1.186,1266 0.273,1267 1.204,1268 0.743,1269 0.669,1270 1.062,1271 0.947,1272 0.13,1273 0.993,1274 3.714,1276 5.03,1277 3.045,1278 6.535,1279 5.352,1280 8.132,1281 7.424,1282 9.782,1284 4.449,1290 0.873,1294 0.496,1300 21.752,1301 46.68,1302 121.344,1303 150.015,1304 158.015,1305 160.015,1306 160.015,1307 17.893,1308 6.458,1309 33.61,1310 33.61,1311 16,1312 12.231,1313 4,1314 3.087,1315 25.482,1316 43,1317 40,1318 0.293,1319 135.294,1320 215.44,1321 321.877,1322 4470,1324 12.535,1325 0.696,1326 0.596,1327 12.535,1328 10.72,1329 8.754,1330 0.438,1331 0.315,1332 6.245,1333 8.521,1334 6.008,1335 5.059,1336 8.754,1337 6.307,1338 7.902,1339 0.282,1340 0.177,1341 7.902,1342 4.953,1343 6.579,1344 0.173,1345 0.087,1346 6.579,1347 3.324,1348 5.682,1349 0.109,1350 0.047,1351 5.682,1352 2.447,1353 4.28,1354 0.07,1355 0.026,1356 4.28,1357 1.616,1358 0.431,1359 54.045,1360 0.272,1361 17.634,1362 0.894,1363 96,1364 217.623,1365 101.578,1366 220.026,1367 314,1368 208,1369 114,1370 243.183,1371 120.689,1372 251.292,1373 365.71,1374 236,1375 7.824} {0 CHEMBL284827,1 1.505,2 7.286,3 1.555,4 2.419,5 54.462,6 7.24,7 0.733,8 3.359,9 3.477,10 2.918,11 2.868,12 4.454,13 2.855,14 3.844,15 4.02,16 3.137,17 3.169,18 4.873,19 3.132,20 3.978,21 4.205,22 2.898,23 3.142,24 4.86,25 3.03,26 3.841,27 4.084,28 2.686,29 2.958,30 4.685,31 2.829,32 3.735,33 3.998,34 2.572,35 2.799,36 4.587,37 2.676,38 3.501,39 3.769,40 2.468,41 2.719,42 4.3,43 2.599,44 3.377,45 3.617,46 2.464,47 2.694,48 4.306,49 2.584,50 3.304,51 3.569,52 2.161,53 2.518,54 4.205,55 2.37,56 0.004,57 0.376,58 5.433,59 2.251,60 4.965,61 3.018,62 0.129,63 0.568,64 9.939,65 3.362,66 12.597,67 4.536,68 0.196,69 0.565,70 12.271,71 4.278,72 16.347,73 5.857,74 0.092,75 0.485,76 10.67,77 3.841,78 13.806,79 5.358,80 0.168,81 0.426,82 9.977,83 3.263,84 15.799,85 4.657,86 0.071,87 0.371,88 7.538,89 2.649,90 7.938,91 3.925,92 0.039,93 0.348,94 6.29,95 2.363,96 7.451,97 3.491,98 0.048,99 0.308,100 6.043,101 2.136,102 8.729,103 3.217,105 18,106 0.3,107 0.602,108 0.765,109 0.823,110 0.844,111 0.844,112 2.729,113 0.917,114 -2.86,115 -2.87,116 -2.78,118 42.3,124 2,140 5,142 1,143 1,149 1,156 1,168 4,171 1,172 2,180 4,185 1,186 2,194 2,198 1,209 1,210 2,222 2,234 3,247 2,259 1,270 170,271 9.828,272 9.828,273 9.828,274 9.828,275 9.828,276 8.456,277 8.366,278 6.305,279 10.154,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.528,286 8.112,287 3.043,288 7.957,289 3.195,290 1.677,291 0.86,292 0.567,293 0.462,294 0.462,295 3.384,299 1,300 1,301 217,302 2,305 40.128,306 47.138,313 1.143,314 5.972,317 1,318 0.83,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.82,325 30,326 102,327 3.933,328 2.886,329 5.374,330 3.497,331 2.572,332 3.483,333 0.86,334 7.056,335 2.391,336 3.882,337 2.624,338 5.316,339 3.417,340 2.483,341 3.439,343 6.902,344 2.304,345 2.948,346 1.81,347 3.708,348 2.534,349 1.587,350 2.115,352 3.292,353 1.494,354 2.696,355 1.43,356 3.509,357 2.286,358 1.338,359 1.76,361 2.849,362 1.263,363 2.5,364 1.106,365 3.247,366 2,367 1,368 1.5,370 2.136,371 1,372 2.126,373 1,374 3.104,375 1.792,376 0.88,377 1.064,379 1.919,380 0.797,381 2.118,382 0.618,383 3,384 1.553,385 0.618,386 0.927,388 1.372,389 0.577,390 1.115,391 0.121,392 2.449,393 0.818,394 -0.098,395 -0.115,397 -0.231,398 -0.09,399 0.56,400 -0.454,401 1.648,402 0.16,403 -0.774,404 -0.967,406 -1.69,407 -0.71,408 0.5,409 -1,410 1.555,412 -1,413 -1.5,415 -2.347,416 -1,417 0.021,418 -1.176,419 1.025,420 -0.359,421 -1.299,422 -1.587,424 -2.854,425 -1.223,426 -0.118,427 -1.42,428 1,429 -0.703,430 -1.618,431 -2.107,433 -4.325,434 -1.473,435 -0.413,436 -1.618,437 0.524,438 -0.818,439 -1.714,440 -2.427,442 -4.372,443 -1.541,444 -0.5,445 -1.806,446 0.342,447 -1,448 -1.976,449 -2.586,451 -4.789,452 -1.791,453 -0.868,454 -2,455 0.198,456 -1.078,457 -2,458 -3,459 -0.86,460 -4.918,461 -2,462 6.633,463 0.474,464 0.137,465 0.01,466 19.75,467 1.411,468 10.5,469 0.75,470 9.25,471 0.661,472 6.78,473 0.484,474 14.967,475 0.576,476 10.309,477 0.736,478 4.172,479 0.298,480 2.778,481 0.198,484 0.136,487 0.891,488 1.506,489 0.787,490 1.213,491 0.768,492 1.021,493 1.479,494 1.004,495 1.111,496 0.987,497 1.199,498 0.987,499 1.363,500 0.879,501 1.162,502 1.01,503 1.285,504 1.062,505 1.147,506 1.087,507 1.077,508 1.176,509 1.136,510 1.135,511 1.193,512 0.849,513 0.984,514 0.88,515 1.114,516 0.911,517 0.682,518 0.889,519 0.816,520 0.802,521 0.602,522 0.82,523 0.461,524 1.071,525 0.878,526 0.985,527 0.558,528 0.979,529 0.546,530 1.037,531 1.03,532 1.041,533 0.938,534 1.079,535 1.5,537 0.667,538 0.285,539 0.116,540 0.17,541 0.086,542 0.023,543 0.029,544 0.007,545 1608,546 4150,547 2.119,548 46.2,550 9,551 1,552 2,558 1.496,559 2.1,560 2.921,561 -0.766,565 1,567 39.138,568 1.505,569 3.023,570 3.84,571 4.133,572 4.239,573 4.239,574 2.271,575 2.95,576 3.785,577 3.012,578 274.125,579 6.25,580 2237.4,582 1,585 122.211,586 0.592,587 3.79,588 0.1,590 0.037,591 0.022,592 0.012,593 0.019,594 0.01,595 0.003,596 0.005,597 0.003,598 0.21,599 0.83,600 1,602 54.869,603 0.008,604 -0.368,605 0.077,606 -0.192,607 0.058,608 -0.072,609 -0.172,610 0.096,611 -0.162,612 -0.049,613 -0.142,614 -0.092,615 -0.074,616 0.047,617 -0.176,618 -0.049,619 -0.197,620 -0.116,621 -0.067,622 -0.202,623 -0.099,624 -0.207,625 -0.082,626 -0.165,627 0.055,628 0.028,629 0.037,630 0.06,631 0.04,632 0.043,633 -0.021,634 0.05,635 0.139,636 0.166,637 0.108,638 0.172,639 0.002,640 -0.067,641 0.026,643 0.12,644 0.014,645 -0.044,646 -0.065,647 -0.103,648 -0.086,649 -0.076,650 -0.097,651 0.833,652 2.031,653 0.786,654 7.857,655 0.998,656 1.126,657 1.632,658 2.663,659 0.664,660 2.773,661 2.944,662 3.091,663 3.219,664 3.135,665 2.944,666 2.944,667 2.944,668 2.944,669 2.833,670 4.569,671 0.63,672 188.25,673 2.773,674 4.205,675 4.977,676 5.765,677 6.547,678 7.339,679 8.123,680 8.916,681 9.701,682 10.494,683 7.7,691 1,693 1,699 8,700 1,704 1,705 1,706 11,722 1,724 26,726 11,727 1,728 15,730 27,731 11,733 9,734 1,735 5,739 2,740 2,753 9,754 2,769 1,772 12,773 2,775 3,778 1,779 2,784 1,785 1,801 1,802 1,832 2,840 14,846 2,848 1,862 3.8,867 1,869 6.667,870 4.483,871 3.25,872 1.464,874 1.837,875 1.339,876 0.96,877 3.064,878 7.262,879 3.068,880 3.548,881 4.01,882 4.457,883 4.557,884 4.219,885 4.343,886 4.577,887 4.925,888 5.211,889 0.8,890 13,891 5.126,892 0.002,893 2.018,894 7.583,895 9.883,896 0.001,897 7.506,898 -0.001,899 2.083,900 29.167,901 0.007,904 141.253,905 86.036,906 18.685,908 11,911 86.036,912 152.253,913 18.685,915 6.698,916 56.429,917 48.946,918 27.19,919 11.771,920 105.94,922 141.253,923 104.721,924 11,927 141.253,928 11,931 26.263,932 61.672,933 16.786,935 141.253,936 29.685,937 86.036,940 141.253,941 11.942,942 75.994,944 27.785,945 141.253,946 29.685,947 86.036,949 0.543,950 0.299,951 0.157,952 0.066,953 8,954 2,955 0.148,956 4,958 1,959 2.878,960 78.73,962 11,963 49.303,968 9.127,969 4.7,970 2.786,972 27.785,973 15.287,974 3.955,978 0.91,979 1.989,981 256.974,982 20.5,994 25.949,995 29.282,996 0.32,997 0.643,998 0.817,999 0.879,1000 0.902,1001 0.902,1002 4.186,1003 -0.098,1004 4.844,1005 1.372,1006 3.611,1007 4.227,1008 0.908,1009 5.434,1010 3.484,1011 5.304,1012 -0.774,1013 6.248,1014 -0.231,1015 2.565,1016 3.332,1018 5.784,1019 2.32,1020 6.519,1021 -1,1022 7.745,1023 -1.69,1024 4.977,1025 6.248,1026 0.739,1027 8.839,1028 4.71,1029 7.772,1030 -1.299,1031 9.303,1032 -2.347,1033 4.875,1034 6.329,1036 10.127,1037 4.457,1038 9.059,1039 -1.618,1040 10.9,1041 -2.854,1042 6.581,1043 8.501,1044 0.593,1045 12.521,1046 6.172,1047 10.367,1048 -1.714,1049 12.525,1050 -4.325,1051 6.944,1052 9.046,1054 14.176,1055 6.376,1056 11.692,1057 -1.976,1058 14.167,1059 -4.372,1060 8.302,1061 10.858,1062 0.469,1063 16.316,1064 7.748,1065 2.572,1066 -2,1067 15.822,1068 -4.789,1069 8.911,1070 11.654,1072 18.13,1073 8.201,1074 2.483,1075 7.056,1076 17.484,1077 -4.918,1078 10.086,1079 13.267,1080 0.366,1081 20.163,1082 9.383,1083 1.587,1084 6.902,1085 19.151,1086 3.483,1087 10.83,1088 14.21,1090 22.048,1091 9.979,1092 1.338,1093 3.292,1094 20.821,1095 3.439,1096 11.903,1097 15.703,1098 0.283,1099 24.032,1100 11.05,1101 1,1102 2.849,1103 22.494,1104 2.115,1105 12.724,1106 16.738,1108 25.949,1109 11.734,1110 0.88,1111 2.136,1112 24.168,1113 1.76,1114 13.74,1115 18.156,1116 0.217,1117 27.912,1118 12.735,1119 0.618,1120 1.919,1121 25.843,1122 1.5,1123 14.606,1124 19.252,1126 29.844,1127 13.476,1128 1590,1129 2621,1130 10.515,1131 17.273,1132 21.274,1133 20.968,1134 21.015,1135 21.001,1136 20.957,1137 28.576,1138 1.72,1139 51.05,1140 19.653,1141 4.801,1142 4.886,1143 5.176,1144 4.575,1145 4.572,1146 6.483,1147 1.72,1148 11.974,1149 4.391,1151 1.418,1152 1.398,1153 1.401,1154 1.4,1155 1.397,1156 1.905,1157 0.115,1158 3.403,1159 1.31,1160 3.945,1161 4.004,1162 3.879,1163 3.819,1164 4.964,1165 3.82,1166 3.861,1167 3.898,1168 3.795,1169 3.695,1170 4.848,1171 3.721,1172 3.348,1173 3.408,1174 3.198,1175 3.141,1176 4.335,1177 3.143,1178 2.854,1179 2.925,1180 2.718,1181 2.735,1182 3.69,1183 2.715,1184 2.848,1185 2.9,1186 2.687,1187 2.698,1188 3.674,1189 2.694,1190 2.51,1191 2.61,1192 2.295,1193 2.316,1194 3.355,1195 2.298,1196 2.403,1197 2.519,1198 2.206,1199 2.087,1200 3.263,1201 2.096,1202 2.003,1203 2.154,1204 1.674,1205 1.65,1206 2.801,1207 1.631,1208 0.262,1209 0.192,1210 0.358,1211 0.233,1212 0.171,1213 3.933,1214 0.232,1215 2.886,1216 0.057,1217 5.374,1218 0.47,1219 3.497,1220 0.159,1221 2.572,1222 3.483,1223 0.86,1224 7.056,1225 2.391,1226 1.874,1227 1.849,1228 2.003,1229 1.986,1230 1.106,1231 1.99,1232 1.626,1233 1.558,1234 1.825,1235 1.854,1236 1.019,1237 1.851,1238 1.309,1239 1.244,1240 1.5,1241 1.527,1242 0.528,1243 1.52,1244 1.101,1245 1.036,1246 1.333,1247 1.384,1248 0.317,1249 1.377,1250 0.886,1251 0.821,1252 1.181,1253 1.062,1254 0.218,1255 1.107,1256 0.797,1257 0.738,1258 1.064,1259 0.987,1260 0.138,1261 1.016,1262 0.283,1263 0.145,1264 0.829,1265 0.653,1267 0.72,1270 0.43,1271 0.2,1273 0.29,1274 3.434,1276 4.635,1277 2.398,1278 6.014,1279 4.443,1280 7.468,1281 6.26,1282 8.958,1290 1.495,1292 5.531,1300 16.392,1301 39.138,1302 78.602,1303 99.847,1304 107.457,1305 110.211,1306 110.211,1307 11.652,1308 5.425,1309 27.05,1310 27.05,1311 11,1312 11.098,1313 3.585,1314 2.7,1315 21.626,1316 39,1317 26,1318 0.276,1319 104.447,1320 169.93,1321 246.611,1322 1300,1324 9.64,1325 0.689,1326 0.56,1327 9.64,1328 7.836,1329 6.949,1330 0.463,1331 0.306,1332 4.507,1333 6.637,1334 4.428,1335 3.691,1336 6.949,1337 4.586,1338 5.585,1339 0.31,1340 0.165,1341 5.585,1342 2.962,1343 4.424,1344 0.211,1345 0.091,1346 4.424,1347 1.921,1348 3.47,1349 0.145,1350 0.05,1351 3.47,1352 1.205,1353 2.17,1354 0.099,1355 0.029,1356 2.17,1357 0.642,1358 0.439,1359 43.718,1360 0.308,1361 14.795,1362 0.73,1363 66,1364 201.026,1365 73.068,1366 191.915,1367 261.87,1368 182,1369 72,1370 189.384,1371 79.402,1372 190.816,1373 270.42,1374 179,1375 6.18} {0 CHEMBL284963,1 1.62,2 8.111,3 1.195,4 1.427,5 65.769,6 7.697,7 0.579,8 3.572,9 3.675,10 3.151,11 3.048,12 4.774,13 3.057,14 4.058,15 4.214,16 3.425,17 3.374,18 5.315,19 3.358,20 4.238,21 4.429,22 3.293,23 3.42,24 5.303,25 3.353,26 4.207,27 4.413,28 3.261,29 3.348,30 5.258,31 3.281,32 4.198,33 4.403,34 3.26,35 3.257,36 5.453,37 3.198,38 4.072,39 4.309,40 3.023,41 3.152,42 5.141,43 3.069,44 3.951,45 4.189,46 2.926,47 3.067,48 5.027,49 2.991,50 3.805,51 4.024,52 2.822,53 2.969,54 4.951,55 2.876,56 0.07,57 0.45,58 6.211,59 2.806,60 9.569,61 3.456,62 0.299,63 0.68,64 11.623,65 4.268,66 37.385,67 5.479,68 0.372,69 0.717,70 15.399,71 5.443,72 39.5,73 6.975,74 0.253,75 0.684,76 14.968,77 5.431,78 25.967,79 7.183,80 0.504,81 0.645,82 15.509,83 5.036,84 49.046,85 6.748,86 0.281,87 0.589,88 13.902,89 4.506,90 38.362,91 6.236,92 0.281,93 0.543,94 12.283,95 3.719,96 38.788,97 5.218,98 0.269,99 0.482,100 10.09,101 3.341,102 27.091,103 4.702,104 7,105 24,106 0.305,107 0.688,108 0.848,109 0.896,110 0.907,111 0.907,112 2.959,113 0.89,114 -2.55,115 -2.57,116 -2.51,118 40.6,120 1,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 3,175 1,177 1,180 5,181 1,185 1,186 4,191 1,194 4,195 1,198 2,199 1,203 1,206 1,207 2,209 2,210 4,213 1,215 2,219 1,222 4,227 1,234 3,235 1,246 1,247 3,250 1,259 1,260 1,270 406,271 12.19,272 12.19,273 12.19,274 12.19,275 12.19,276 10.61,277 12.399,278 7.621,279 12.513,280 9.421,281 9.421,282 9.421,283 9.421,284 9.421,285 7.14,286 12.712,287 3.645,288 9.923,289 3.38,290 1.349,291 0.5,292 0.25,293 0.188,294 0.188,295 3.616,299 1,300 1,301 302,302 2.915,305 52.198,306 64.052,313 1.235,314 19.093,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 40,326 146,327 4.215,328 3.646,329 6.156,330 3.841,331 2.869,332 3.814,333 2.397,334 9.114,335 2.788,336 3.919,337 3.081,338 5.352,339 3.452,340 2.538,341 3.478,342 0.86,343 6.997,344 2.317,345 3.499,346 2.651,347 4.762,348 3.125,349 2.135,350 2.681,351 0.242,352 5.353,353 2.088,354 2.951,355 2.111,356 4.164,357 2.561,358 1.626,359 2.115,361 3.869,362 1.509,363 2.836,364 1.576,365 3.637,366 2.386,367 1.386,368 1.95,370 3.044,371 1.382,372 2.692,373 1.429,374 3.557,375 2.276,376 1.328,377 1.755,379 2.876,380 1.254,381 2.15,382 1.1,383 3.159,384 1.805,385 0.889,386 1.087,388 1.95,389 0.808,390 2.118,391 0.742,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.411,400 0.618,401 2.617,402 1.116,403 0.152,404 0.181,406 0.354,407 0.144,408 0.955,409 0.352,410 2.366,411 0.651,412 -0.297,413 -0.345,415 -0.726,416 -0.277,417 0.567,418 0.03,419 2,420 0.151,421 -0.801,422 -0.975,424 -1.915,425 -0.741,426 0.535,427 -0.404,428 1.68,429 0.049,430 -1,431 -1.257,433 -2,434 -0.931,435 0.248,436 -0.776,437 1.312,438 -0.07,439 -1,440 -1.541,442 -2.499,443 -1.051,444 0.021,445 -1.168,446 1.032,447 -0.359,448 -1.298,449 -1.585,451 -2.886,452 -1.222,453 -0.118,454 -1.403,455 1,456 -0.703,457 -1.618,458 -2.107,460 -4.372,461 -1.473,462 8.3,463 0.461,464 0.332,465 0.018,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 10.759,473 0.598,474 19.9,475 0.622,476 15.171,477 0.843,478 5.068,479 0.282,480 3.686,481 0.205,482 0.08,484 0.229,487 0.853,488 1.453,489 0.766,490 1.188,491 0.727,492 0.996,493 0.876,494 1.022,495 0.958,496 1.008,497 0.496,498 0.987,499 1.171,500 0.915,501 1.161,502 1.027,503 1.061,504 1.086,505 0.978,506 1.108,507 0.983,508 1.186,509 0.628,510 1.108,511 0.917,512 0.976,513 0.976,514 1.042,515 0.872,516 1.033,517 1.014,518 1.004,519 0.946,520 0.95,521 1.122,522 0.943,523 1.087,524 0.875,525 1.011,526 0.774,527 1.327,528 0.851,529 0.772,530 1.017,531 1.073,532 0.996,533 1.157,534 1.092,535 3,536 0.04,537 1.333,538 0.722,539 0.587,540 0.344,541 0.289,542 0.066,543 0.11,544 0.062,545 2896,546 9491,547 2.026,548 43.8,550 8,551 1,552 2,553 1,554 2,558 1.584,559 1.929,560 3.052,561 -0.225,563 1,565 1,567 51.836,568 1.62,569 3.651,570 4.5,571 4.75,572 4.813,573 4.813,574 2.461,575 3.725,576 4.142,577 3.206,578 490.497,579 7.018,580 4835.19,582 1,585 160,586 1.224,587 4.116,588 0.158,589 0.01,590 0.056,591 0.036,592 0.031,593 0.019,594 0.019,595 0.005,596 0.009,597 0.008,598 0.35,599 0.5,600 1,601 1.047,602 77.737,603 -0.085,604 -0.275,605 0.029,606 -0.11,607 -0.075,608 -0.034,609 0.027,610 0.103,611 -0.076,612 -0.017,613 0.161,614 -0.054,615 -0.154,616 0.056,617 -0.212,618 -0.033,619 -0.178,620 -0.119,621 -0.068,622 -0.177,623 -0.029,624 -0.183,625 0.015,626 -0.11,627 0.216,628 -0.069,629 0.031,630 -0.079,631 0.153,632 -0.07,633 -0.097,634 -0.101,635 0.049,636 0.018,637 -0.079,638 0.056,639 -0.18,640 0.086,641 -0.022,642 0.167,643 -0.201,644 0.121,645 0.055,646 -0.017,647 -0.126,648 -0.034,649 -0.143,650 -0.12,651 2.527,652 3.714,653 0.611,654 13,655 1.015,656 1.129,657 1.319,658 1.739,659 0.654,660 2.996,661 3.219,662 3.367,663 3.555,664 3.555,665 3.434,666 3.434,667 3.434,668 3.434,669 3.367,670 5.171,671 0.636,672 246.29,673 2.996,674 4.466,675 5.252,676 6.075,677 6.88,678 7.707,679 8.519,680 9.345,681 10.162,682 10.988,683 6.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 32,726 12,727 1,728 19,730 33,731 13,733 9,734 2,735 4,739 2,740 2,751 1,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,840 18,845 1,846 3,848 1,862 9.4,864 1,865 1,867 1,869 9.333,870 5.517,871 4.111,872 1.757,874 2.051,875 1.346,876 0.916,877 4.367,878 7.983,879 3.277,880 3.778,881 4.207,882 4.695,883 4.892,884 4.796,885 4.946,886 5.157,887 5.328,888 5.586,889 1,890 20,891 6.609,893 2.689,894 8,895 12.328,897 9.48,899 2.5,900 45,901 0.001,904 153.024,905 83.19,906 18.685,908 78.828,911 83.19,912 231.852,913 18.685,915 9.233,916 46.952,917 117.684,918 30.375,919 11.771,920 117.711,922 153.024,923 101.875,924 78.828,927 153.024,928 78.828,931 28.798,932 56.291,933 16.786,935 153.024,936 97.513,937 83.19,940 153.024,941 18.571,942 66.518,944 95.614,945 153.024,946 97.513,947 83.19,949 0.555,950 0.299,951 0.166,952 0.08,953 10,954 4,955 0.182,956 6,958 1,959 3.163,960 115.614,962 11,963 75.059,968 12.647,969 6.215,970 3.875,972 95.614,973 12.461,974 3.934,978 1.315,979 1.903,980 42.683,981 333.727,982 25.5,987 10.714,991 -0.861,994 32.487,995 36.116,996 0.324,997 0.73,998 0.9,999 0.95,1000 0.963,1001 0.963,1002 4.44,1003 0.618,1004 5.176,1005 1.95,1006 3.892,1007 4.46,1008 2.482,1009 5.855,1010 3.795,1011 5.595,1012 0.152,1013 6.645,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.503,1019 3.088,1020 6.849,1021 -0.297,1022 8.215,1023 0.354,1024 5.342,1025 6.513,1026 3.768,1027 9.553,1028 5.158,1029 8.138,1030 -0.801,1031 9.85,1032 -0.726,1033 5.525,1034 6.898,1035 4.213,1036 11.107,1037 5.3,1038 9.459,1039 -1,1040 11.528,1041 -1.915,1042 7.06,1043 8.832,1044 5.355,1045 13.618,1046 6.799,1047 10.802,1048 -1,1049 13.237,1050 -2,1051 7.663,1052 9.637,1053 6.05,1054 15.543,1055 7.362,1056 12.161,1057 -1.298,1058 14.968,1059 -2.499,1060 8.932,1061 11.293,1062 7.043,1063 17.863,1064 8.603,1065 2.869,1066 -1.618,1067 16.717,1068 -2.886,1069 9.748,1070 12.319,1071 7.838,1072 19.946,1073 9.384,1074 2.538,1075 9.114,1076 18.478,1077 -4.372,1078 10.892,1079 13.831,1080 8.766,1081 22.196,1082 10.505,1083 2.135,1084 6.997,1085 20.25,1086 3.814,1087 11.818,1088 14.98,1089 9.604,1090 24.347,1091 11.399,1092 1.626,1093 5.353,1094 22.029,1095 3.478,1096 12.904,1097 16.413,1098 10.503,1099 26.571,1100 12.464,1101 1.386,1102 3.869,1103 23.814,1104 2.681,1105 13.885,1106 17.632,1107 11.361,1108 28.753,1109 13.418,1110 1.328,1111 3.044,1112 25.604,1113 2.115,1114 14.946,1115 19.022,1116 12.247,1117 30.967,1118 14.458,1119 0.889,1120 2.876,1121 27.399,1122 1.95,1123 15.957,1124 20.282,1125 13.113,1126 33.163,1127 15.444,1128 2925,1129 5374,1130 12.712,1131 20.943,1132 27.422,1133 27.525,1134 27.338,1135 27.086,1136 27.079,1137 35.975,1138 6.999,1139 69.859,1140 25.735,1141 5.098,1142 5.646,1143 5.849,1144 4.927,1145 4.869,1146 6.814,1147 4.03,1148 15.295,1149 4.788,1150 7.307,1151 1.443,1152 1.449,1153 1.439,1154 1.426,1155 1.425,1156 1.893,1157 0.368,1158 3.677,1159 1.354,1160 3.965,1161 4.012,1162 3.903,1163 3.865,1164 7.474,1165 3.867,1166 3.888,1167 3.931,1168 3.829,1169 3.697,1170 6.351,1171 3.725,1172 3.46,1173 3.47,1174 3.387,1175 3.235,1176 4.962,1177 3.261,1178 3.347,1179 3.407,1180 3.198,1181 3.141,1182 4.822,1183 3.143,1184 2.849,1185 2.908,1186 2.726,1187 2.709,1188 4.333,1189 2.7,1190 2.836,1191 2.863,1192 2.705,1193 2.604,1194 3.725,1195 2.636,1196 2.524,1197 2.621,1198 2.309,1199 2.316,1200 3.689,1201 2.3,1202 2.43,1203 2.536,1204 2.225,1205 2.1,1206 3.385,1207 2.115,1208 0.222,1209 0.192,1210 0.324,1211 0.202,1212 0.151,1213 4.215,1214 0.201,1215 3.646,1216 0.126,1217 6.156,1218 0.48,1219 3.841,1220 0.147,1221 2.869,1222 3.814,1223 2.397,1224 9.114,1225 2.788,1226 1.91,1227 1.89,1228 2.023,1229 2.014,1230 1.17,1231 2.016,1232 1.628,1233 1.56,1234 1.827,1235 1.863,1236 1.074,1237 1.855,1238 1.358,1239 1.333,1240 1.561,1241 1.611,1242 0.684,1243 1.582,1244 1.309,1245 1.244,1246 1.5,1247 1.527,1248 0.528,1249 1.52,1250 1.099,1251 1.035,1252 1.332,1253 1.384,1254 0.316,1255 1.376,1256 0.832,1257 0.773,1258 1.116,1259 1.047,1260 0.169,1261 1.061,1262 0.711,1263 0.689,1264 0.925,1265 0.993,1267 0.989,1268 0.314,1269 0.207,1270 0.823,1271 0.723,1273 0.761,1274 3.664,1276 4.905,1277 2.398,1278 6.319,1279 4.443,1280 7.819,1281 6.26,1282 9.367,1289 8.799,1290 1.135,1292 5.599,1300 20.348,1301 51.836,1302 116.839,1303 144,1304 152,1305 154,1306 154,1307 27.929,1308 5.932,1309 64.35,1310 64.35,1311 11,1312 11.566,1313 3.7,1314 2.907,1315 31.066,1316 54,1317 46,1318 0.275,1319 128.697,1320 219.47,1321 305.781,1322 2528,1324 12.795,1325 0.711,1326 0.546,1327 12.795,1328 9.821,1329 8.754,1330 0.461,1331 0.297,1332 5.53,1333 8.297,1334 5.438,1335 4.501,1336 8.754,1337 5.637,1338 7.516,1339 0.313,1340 0.159,1341 7.516,1342 3.827,1343 5.503,1344 0.197,1345 0.089,1346 5.503,1347 2.481,1348 4.548,1349 0.134,1350 0.048,1351 4.548,1352 1.634,1353 3.095,1354 0.091,1355 0.027,1356 3.095,1357 0.925,1358 0.432,1359 55.699,1360 0.28,1361 18.445,1362 0.75,1363 86,1364 308.911,1365 97.496,1366 289.975,1367 380.02,1368 270,1369 95,1370 263.051,1371 105.392,1372 263.095,1373 374.45,1374 246,1375 5} {0 CHEMBL28506,1 1.63,2 13.583,3 5.908,4 34.901,5 143.274,6 8.079,7 0.462,8 4.254,9 4.349,10 3.998,11 3.89,12 5.322,13 3.83,14 4.803,15 4.946,16 4.302,17 4.294,18 6.067,19 4.206,20 5.114,21 5.309,22 4.353,23 4.464,24 6.144,25 4.332,26 5.189,27 5.407,28 4.284,29 4.443,30 6.217,31 4.304,32 5.142,33 5.344,34 4.296,35 4.416,36 6.213,37 4.29,38 5.136,39 5.355,40 4.318,41 4.426,42 6.196,43 4.3,44 5.149,45 5.374,46 4.234,47 4.458,48 6.054,49 4.311,50 5.202,51 5.444,52 4.286,53 4.459,54 6.136,55 4.311,56 0.102,57 0.879,58 14.926,59 6.62,60 22.487,61 7.884,62 0.398,63 1.452,64 25.381,65 11.387,66 81.255,67 14.25,68 0.369,69 1.91,70 42.628,71 16.34,72 78.266,73 20.026,74 0.513,75 2.028,76 50.097,77 17.753,78 99.941,79 21.502,80 0.521,81 1.901,82 44.505,83 16.29,84 106.872,85 19.719,86 0.529,87 1.899,88 42.214,89 16.21,90 94.993,91 21.044,92 0.306,93 1.968,94 40.194,95 16.62,96 62.208,97 21.938,98 0.311,99 2.061,100 48.141,101 18.204,102 66.393,103 23.714,104 32,105 54,106 0.257,107 0.592,108 0.79,109 0.892,110 0.892,111 0.892,112 3.616,113 1.066,114 -5.11,115 -5,116 -4.69,118 43.1,120 7,126 1,133 2,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 3,180 27,181 1,186 7,191 5,194 28,195 1,198 10,203 5,206 22,207 1,210 7,215 3,218 23,219 1,222 9,227 5,229 25,230 1,234 8,239 3,242 22,243 2,247 10,252 4,255 19,256 3,259 9,262 1,264 5,267 16,268 4,270 2846,271 23.971,272 23.971,273 23.971,274 23.971,275 23.971,276 21.067,277 24.359,278 14.404,279 24.349,280 19.32,281 19.32,282 19.32,283 19.32,284 19.32,285 14.884,286 22.602,287 6.96,288 19.998,289 4.392,290 2.271,291 1.015,292 0.369,293 0.369,294 0.369,295 4.309,297 1,300 1,301 1035,302 4.472,306 455.634,310 174.738,313 2.185,314 44.85,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 77.333,326 489,327 4.852,328 4.686,329 7.308,330 4.314,331 3.394,332 4.7,333 2.341,334 12.509,335 3.131,336 4.451,337 3.596,338 6.55,339 4.096,340 3.099,341 4.135,342 0.68,343 10.405,344 3.053,345 3.936,346 3.29,347 5.56,348 3.591,349 2.598,350 3.466,352 7.619,353 2.579,354 3.84,355 2.903,356 5.471,357 3.392,358 2.441,359 3.395,361 7.185,362 2.341,363 3.572,364 2.891,365 5.171,366 3.267,367 2.324,368 2.846,370 6.317,371 2.222,372 3.545,373 2.537,374 5.037,375 3.236,376 2.233,377 2.793,379 6.045,380 2.133,381 3.493,382 2.246,383 5.005,384 3.092,385 2.099,386 2.707,388 5.763,389 2.084,390 3.177,391 2.128,392 4.659,393 2.886,394 1.907,395 2.335,397 5.182,398 1.854,399 3.018,400 1.914,401 4.61,402 2.568,403 1.572,404 2.117,406 4.54,407 1.563,408 2.875,409 1.699,410 3.999,411 2.506,412 1.551,413 2.018,415 3.464,416 1.413,417 2.857,418 1.544,419 3.616,420 2.39,421 1.422,422 1.882,424 3.073,425 1.372,426 2.5,427 1.401,428 3.554,429 2.154,430 1.156,431 1.5,433 2.799,434 1.151,435 2.5,436 1.099,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.27,445 1,446 3.247,447 1.956,448 1,449 1.23,451 2.136,452 0.953,453 2.041,454 1,455 3.231,456 1.71,457 0.709,458 0.877,460 1.529,461 0.707,462 17.681,463 0.491,464 0.96,465 0.027,466 45.5,467 1.264,468 24,469 0.667,470 21.5,471 0.597,472 34.813,473 0.967,474 38.719,475 0.596,476 37.065,477 1.03,478 8.559,479 0.238,480 8.738,481 0.243,482 0.116,483 0.047,484 0.255,487 0.568,488 1.15,489 0.734,490 1.076,491 0.661,492 0.915,493 0.459,494 1.106,495 0.793,496 1.004,497 0.435,498 1.026,499 0.877,500 1.087,501 1.045,502 1.08,503 0.826,504 1.07,505 1.003,506 1.012,507 1.09,508 1.079,509 0.998,510 1.014,511 1.11,512 1.024,513 0.837,514 0.953,515 1.261,516 1.034,517 0.589,518 0.993,519 0.729,520 0.949,521 0.639,522 0.993,523 0.567,524 1.039,525 0.754,526 0.959,527 0.548,528 1.056,529 0.529,530 1.043,531 0.822,532 1.015,533 0.464,534 0.97,535 8.5,536 0.272,537 3.556,538 2.5,539 1.831,540 1.278,541 0.766,542 0.658,543 0.496,544 0.414,545 19577,546 61276,547 2.049,548 44.6,549 8,550 11,552 2,553 2,554 2,555 4,558 1.779,559 1.92,560 3.702,561 0.148,567 105.967,568 1.63,569 3.751,570 5.007,571 5.653,572 5.653,573 5.653,574 3.243,575 4.482,576 5.132,577 3.91,578 2463.46,579 9.056,580 40433.3,585 391.454,586 1.493,587 5.096,588 0.218,589 0.006,590 0.066,591 0.046,592 0.036,593 0.026,594 0.015,595 0.013,596 0.01,597 0.009,598 0.444,599 0.17,600 0.88,601 1.401,602 197.552,603 0.043,604 -0.013,605 0.124,606 -0.002,607 -0.095,608 0.051,609 0.256,610 -0.028,611 0.011,612 -0.028,613 0.264,614 -0.068,615 -0.085,616 -0.062,617 -0.082,618 -0.055,619 -0.053,620 -0.076,621 -0.104,622 0.001,623 -0.093,624 -0.033,625 -0.068,626 -0.015,627 -0.137,628 -0.036,629 -0.027,630 0.006,631 -0.162,632 -0.063,633 0.124,634 -0.022,635 0.086,636 -0.014,637 0.088,638 0.007,639 0.003,640 -0.058,641 0.007,642 -0.028,643 -0.001,644 -0.05,645 0.066,646 -0.062,647 0.075,648 -0.021,649 0.091,650 0.057,651 4.571,652 5.935,653 0.611,654 48.611,655 1.004,656 1.116,657 3.879,658 15.044,659 0.692,660 3.689,661 4.007,662 4.205,663 4.454,664 4.7,665 4.812,666 4.942,667 5.159,668 5.273,669 5.398,670 8.136,671 0.651,672 525.11,673 3.689,674 5.231,675 6.057,676 6.93,677 7.779,678 8.661,679 9.521,680 10.411,681 11.278,682 12.173,683 3.1,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 65,726 22,727 2,728 39,730 68,731 28,733 17,734 6,735 6,736 2,739 4,740 5,741 1,748 4,751 8,753 20,754 8,756 4,760 1,761 3,763 2,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,837 1,840 36,844 1,845 1,846 7,847 1,850 1,861 1,862 6.2,864 1,865 3,869 18.75,870 11.293,871 7.847,872 3.955,874 3.056,875 1.379,876 0.972,877 8.71,878 11.123,879 3.97,880 4.559,881 5.012,882 5.534,883 6.052,884 6.261,885 6.552,886 6.901,887 7.239,888 7.585,889 1,890 54,891 13.602,893 6.054,894 7.908,895 25.553,897 21.493,899 2.408,900 86.694,904 317.82,905 158.296,906 33.191,907 39.149,908 112.141,910 5.807,911 152.488,912 469.11,913 33.191,915 17.742,916 116.975,917 153.379,918 39.074,920 294.278,921 39.149,922 317.82,923 185.679,924 112.141,925 44.956,927 270.735,928 159.226,931 52.242,932 97.699,933 80.694,935 317.82,936 145.332,937 197.444,939 5.807,940 317.82,941 39.631,942 112.857,943 16.405,944 168.075,945 317.82,946 145.332,947 197.444,949 0.579,950 0.313,951 0.162,952 0.091,953 24,954 11,955 0.147,956 10,957 1,958 1.091,959 4.645,960 335.235,961 0.091,962 22,963 180.117,967 1,968 26.251,969 11.945,970 7.351,972 145.332,973 18.086,974 4.215,978 6.398,980 59.088,981 660.596,982 52,986 -3.654,987 36.665,989 4.105,991 -0.786,994 65.283,995 72.511,996 0.271,997 0.623,998 0.831,999 0.939,1000 0.939,1001 0.939,1002 5.207,1003 1.907,1004 6.057,1005 5.763,1006 4.691,1007 5.247,1008 2.35,1009 6.864,1010 4.626,1011 6.426,1012 1.572,1013 7.615,1014 5.182,1015 4.369,1016 5.223,1017 2.243,1018 7.96,1019 4.21,1020 7.753,1021 1.551,1022 9.287,1023 4.54,1024 6.315,1025 7.484,1026 3.64,1027 10.996,1028 6.173,1029 9.12,1030 1.422,1031 11.033,1032 3.464,1033 6.804,1034 8.289,1035 4.112,1036 12.976,1037 6.55,1038 10.525,1039 1.156,1040 12.831,1041 3.073,1042 8.264,1043 10.084,1044 5.203,1045 15.619,1046 8.015,1047 11.958,1048 1,1049 14.668,1050 2.799,1051 9.136,1052 11.272,1053 5.889,1054 17.938,1055 8.778,1056 13.415,1057 1,1058 16.535,1059 2.275,1060 10.416,1061 12.897,1062 6.849,1063 20.476,1064 10.037,1065 3.394,1066 0.709,1067 18.425,1068 2.136,1069 11.469,1070 14.266,1071 7.625,1072 22.917,1073 10.991,1074 3.099,1075 12.509,1076 20.334,1077 1.529,1078 12.686,1079 15.826,1080 8.526,1081 25.431,1082 12.166,1083 2.598,1084 10.405,1085 22.258,1086 4.7,1087 13.821,1088 17.281,1089 9.342,1090 27.917,1091 13.212,1092 2.441,1093 7.619,1094 24.193,1095 4.135,1096 15.021,1097 18.819,1098 10.216,1099 30.428,1100 14.354,1101 2.324,1102 7.185,1103 26.138,1104 3.466,1105 16.193,1106 20.315,1107 11.051,1108 32.932,1109 15.444,1110 2.233,1111 6.317,1112 28.09,1113 3.395,1114 17.391,1115 21.847,1116 11.912,1117 35.446,1118 16.575,1119 2.099,1120 6.045,1121 30.048,1122 2.846,1123 18.581,1124 23.363,1125 12.755,1126 37.958,1127 17.685,1128 18939,1129 33707,1130 25.83,1131 44.995,1132 57.853,1133 59.547,1134 58.546,1135 57.487,1136 57.222,1137 75.246,1138 6.042,1139 162.254,1140 55.319,1141 5.799,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.86,1149 5.131,1150 18.775,1151 1.483,1152 1.527,1153 1.501,1154 1.474,1155 1.467,1156 1.929,1157 0.155,1158 4.16,1159 1.418,1160 4.115,1161 4.122,1162 4.737,1163 4.087,1164 7.717,1165 4.034,1166 4.007,1167 4.003,1168 3.993,1169 3.981,1170 7.474,1171 3.939,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.759,1178 3.737,1179 3.783,1180 3.781,1181 3.622,1182 6.351,1183 3.603,1184 3.655,1185 3.672,1186 3.606,1187 3.564,1188 4.933,1189 3.522,1190 3.491,1191 3.496,1192 3.433,1193 3.395,1194 4.901,1195 3.355,1196 3.411,1197 3.444,1198 3.313,1199 3.263,1200 4.715,1201 3.266,1202 3.135,1203 3.185,1204 3.158,1205 2.968,1206 4.3,1207 2.965,1208 0.124,1209 0.12,1210 0.187,1211 0.111,1212 0.087,1213 4.852,1214 0.121,1215 4.686,1216 0.06,1217 7.308,1218 0.321,1219 4.314,1220 0.08,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.131,1226 2.045,1227 2.026,1228 2.148,1229 2.119,1230 1.463,1231 2.139,1232 1.946,1233 1.953,1234 1.973,1235 2.007,1236 1.25,1237 2.042,1238 1.836,1239 1.799,1240 1.957,1241 1.952,1242 1.18,1243 1.961,1244 1.728,1245 1.68,1246 1.943,1247 1.887,1248 1.13,1249 1.908,1250 1.589,1251 1.56,1252 1.756,1253 1.739,1254 0.925,1255 1.755,1256 1.38,1257 1.396,1258 1.591,1259 1.572,1260 0.782,1261 1.575,1262 1.376,1263 1.341,1264 1.449,1265 1.522,1266 0.7,1267 1.566,1268 1.113,1269 1.06,1270 1.352,1271 1.321,1272 0.578,1273 1.354,1274 4.369,1276 5.687,1278 7.191,1280 8.785,1282 10.431,1285 5.914,1289 8.871,1290 4.214,1291 2.876,1294 -0.209,1300 42.292,1301 105.967,1302 243.831,1303 325.454,1304 367.454,1305 367.454,1306 367.454,1307 91.749,1308 8.067,1309 96.36,1310 104.74,1311 24,1312 12.705,1313 4.524,1314 3.807,1315 61.849,1316 169,1317 194,1318 0.171,1319 266.618,1320 472.66,1321 642.309,1322 36999,1323 1.5,1324 25.545,1325 0.71,1326 0.595,1327 26.295,1328 21.433,1329 17.298,1330 0.444,1331 0.355,1332 12.067,1333 15.829,1334 11.642,1335 9.616,1336 18.407,1337 13.859,1338 16.122,1339 0.299,1340 0.208,1341 17.83,1342 11.214,1343 12.211,1344 0.185,1345 0.122,1346 13.604,1347 8.07,1348 10.096,1349 0.119,1350 0.07,1351 11.285,1352 5.967,1353 8.166,1354 0.075,1355 0.041,1356 9.275,1357 4.499,1358 0.27,1359 118.208,1360 0.197,1361 33.186,1362 0.466,1363 186,1364 542.398,1365 250.244,1366 579.539,1367 761.91,1368 532,1369 213,1370 491.464,1371 277.977,1372 547.49,1373 787.65,1374 513,1375 5.301} {0 CHEMBL28560,1 1.707,2 12.344,3 4.528,4 20.498,5 123.753,6 8.564,7 0.514,8 4.106,9 4.192,10 3.912,11 3.752,12 5.207,13 3.701,14 4.652,15 4.781,16 4.231,17 4.165,18 5.982,19 4.091,20 4.962,21 5.14,22 4.308,23 4.35,24 6.043,25 4.238,26 5.041,27 5.223,28 4.26,29 4.361,30 6.14,31 4.242,32 5.09,33 5.29,34 4.297,35 4.367,36 6.162,37 4.252,38 5.101,39 5.314,40 4.314,41 4.342,42 6.244,43 4.234,44 5.085,45 5.314,46 4.133,47 4.244,48 6.193,49 4.127,50 4.958,51 5.189,52 3.985,53 4.051,54 6.12,55 3.926,56 0.119,57 0.754,58 11.784,59 5.509,60 23.845,61 6.173,62 0.422,63 1.246,64 19.938,65 9.461,66 80.148,67 11.344,68 0.437,69 1.651,70 35.715,71 13.876,72 78.676,73 16.167,74 0.53,75 1.774,76 41.041,77 15.246,78 96.261,79 17.32,80 0.562,81 1.826,82 41.087,83 15.371,84 107.793,85 18.24,86 0.607,87 1.82,88 39.796,89 15.296,90 101.052,91 19.22,92 0.558,93 1.774,94 40.285,95 14.973,96 98.968,97 18.573,98 0.781,99 1.523,100 39.612,101 13.084,102 133.994,103 15.366,104 29,105 50,106 0.279,107 0.605,108 0.765,109 0.878,110 0.884,111 0.884,112 3.502,113 1.048,114 -4.38,115 -4.31,116 -4.07,118 43.6,120 5,126 1,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 3,180 23,181 1,186 7,191 5,194 25,195 1,198 11,203 5,206 18,207 2,210 9,215 4,218 16,219 4,222 13,227 7,229 13,230 4,234 10,235 1,239 6,242 10,243 1,246 1,247 5,250 1,252 2,253 1,255 10,259 4,262 2,263 1,264 1,267 10,270 1726,271 21.247,272 21.247,273 21.247,274 21.247,275 21.247,276 18.561,277 15.16,278 12.487,279 21.626,280 17.291,281 17.291,282 17.291,283 17.291,284 17.291,285 13.2,286 9.905,287 5.96,288 17.968,289 4.074,290 2.073,291 1.091,292 0.4,293 0.364,294 0.364,295 4.196,297 1,299 1,300 1,301 847,302 4,306 384.274,310 146.941,313 1.969,314 44.683,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 69.333,326 395,327 4.852,328 4.686,329 7.308,330 4.316,331 3.394,332 4.7,333 2.341,334 12.509,335 3.207,336 4.548,337 3.604,338 6.807,339 4.197,340 3.2,341 4.254,343 11.252,344 3.081,345 4.009,346 3.364,347 6.097,348 3.693,349 2.701,350 3.524,352 8.845,353 2.678,354 3.838,355 2.901,356 5.434,357 3.352,358 2.418,359 3.395,361 6.999,362 2.291,363 3.577,364 2.832,365 5.171,366 3.27,367 2.294,368 2.818,370 6.285,371 2.19,372 3.456,373 2.446,374 5.026,375 3.146,376 2.165,377 2.679,379 5.782,380 2.077,381 3.187,382 2.146,383 4.642,384 2.873,385 1.891,386 2.353,388 5.059,389 1.846,390 3.103,391 1.844,392 4.609,393 2.703,394 1.718,395 2.314,397 4.542,398 1.691,399 3.019,400 1.701,401 4.475,402 2.508,403 1.559,404 2.133,406 4.391,407 1.412,408 2.674,409 1.545,410 3.8,411 2.249,412 1.267,413 1.747,415 2.99,416 1.241,417 2.5,418 1.152,419 3.488,420 2.017,421 1.02,422 1.5,424 2.481,425 1.015,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.17,436 1,437 3.247,438 1.956,439 1,440 1.137,442 2.136,443 0.953,444 1.768,445 0.925,446 3.232,447 1.545,448 0.544,449 0.63,451 1.253,452 0.541,453 1.27,454 0.678,455 3.073,456 1.023,457 0.054,458 0.062,460 0.15,461 0.052,462 15.681,463 0.49,464 0.927,465 0.029,466 42,467 1.313,468 22.5,469 0.703,470 19.5,471 0.609,472 29.123,473 0.91,474 34.119,475 0.62,476 33.463,477 1.046,478 7.902,479 0.247,480 7.429,481 0.232,482 0.131,483 0.053,484 0.287,487 0.57,488 1.135,489 0.705,490 1.058,491 0.663,492 0.869,493 0.458,494 1.063,495 0.759,496 0.954,497 0.433,498 0.975,499 0.891,500 1.037,501 1.037,502 1.037,503 0.825,504 1.022,505 1.014,506 1.117,507 1.153,508 1.18,509 1.004,510 1.118,511 0.944,512 1.049,513 0.765,514 0.955,515 1.064,516 1.034,517 0.658,518 1.057,519 0.702,520 0.998,521 0.713,522 1.032,523 0.949,524 1.025,525 0.765,526 0.938,527 0.932,528 1.002,529 1.288,530 0.874,531 0.945,532 0.843,533 1.303,534 0.924,535 7.5,536 0.256,537 4.222,538 2.375,539 1.911,540 1.319,541 0.891,542 0.653,543 0.455,544 0.278,545 13801,546 45787,547 2.056,548 41.8,549 4,550 9,552 2,553 2,554 2,555 4,558 1.747,559 1.91,560 3.546,561 0.208,567 93.894,568 1.707,569 3.708,570 4.69,571 5.381,572 5.418,573 5.418,574 3.091,575 4.203,576 4.967,577 3.738,578 1854.08,579 8.704,580 26868.5,585 317.975,586 1.574,587 4.918,588 0.214,589 0.01,590 0.084,591 0.046,592 0.038,593 0.026,594 0.018,595 0.015,596 0.013,597 0.01,598 0.475,599 0.17,600 0.88,601 1.043,602 167.663,603 0.034,604 -0.014,605 0.124,606 -0.006,607 -0.102,608 0.058,609 0.251,610 0.007,611 0.015,612 -0.001,613 0.262,614 -0.046,615 -0.106,616 -0.014,617 -0.085,618 -0.017,619 -0.056,620 -0.037,621 -0.141,622 -0.096,623 -0.188,624 -0.132,625 -0.088,626 -0.132,627 -0.089,628 -0.068,629 0.011,630 -0.014,631 -0.115,632 -0.054,633 0.125,634 -0.101,635 0.097,636 -0.087,637 0.079,638 -0.036,639 -0.05,640 -0.075,641 0.035,642 -0.031,643 -0.033,644 -0.007,645 -0.119,646 0.084,647 -0.005,648 0.103,649 -0.137,650 0.06,651 4.573,652 5.781,653 0.688,654 35.938,655 1.012,656 1.114,657 3.149,658 9.918,659 0.704,660 3.584,661 3.932,662 4.174,663 4.443,664 4.718,665 4.836,666 4.977,667 5.124,668 5.257,669 5.318,670 7.195,671 0.667,672 471.01,673 3.584,674 5.142,675 5.989,676 6.88,677 7.751,678 8.65,679 9.532,680 10.434,681 11.322,682 12.227,683 3.6,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 55,726 21,727 2,728 35,730 58,731 24,733 17,734 6,735 6,739 4,740 5,741 1,748 4,751 6,753 18,754 6,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 5,847 1,850 1,861 1,862 7.3,864 1,865 3,869 16.75,870 9.626,871 6.903,872 3.288,874 2.978,875 1.378,876 0.982,877 6.729,878 10.853,879 3.871,880 4.494,881 4.989,882 5.529,883 6.075,884 6.321,885 6.657,886 6.948,887 7.284,888 7.555,889 1,890 52,891 12.125,893 5.522,894 7.99,895 22.506,897 19.174,899 2.49,900 79.694,904 247.193,905 134.274,906 33.191,907 39.149,908 112.141,910 5.807,911 128.467,912 398.483,913 33.191,915 12.673,916 98.022,917 153.379,918 39.074,920 223.651,921 39.149,922 247.193,923 161.657,924 112.141,925 44.956,927 200.109,928 159.226,931 47.172,932 97.699,933 61.742,935 247.193,936 145.332,937 173.423,939 5.807,940 247.193,941 34.562,942 93.905,943 16.405,944 168.075,945 247.193,946 145.332,947 173.423,949 0.588,950 0.327,951 0.173,952 0.102,953 24,954 11,955 0.121,956 7,957 1,958 1.091,959 4.211,960 296.638,961 0.091,962 22,963 154,967 1,968 22.629,969 9.516,970 5.274,972 145.332,973 17.406,974 4.195,978 5.773,980 59.088,981 565.948,982 47,986 -3.657,987 36.817,991 -0.843,994 55.633,995 61.265,996 0.295,997 0.641,998 0.811,999 0.931,1000 0.937,1001 0.937,1002 5.121,1003 1.718,1004 6.009,1005 5.059,1006 4.615,1007 5.182,1008 2.258,1009 6.862,1010 4.545,1011 6.357,1012 1.559,1013 7.599,1014 4.542,1015 4.369,1016 5.223,1017 2.243,1018 8.044,1019 4.21,1020 7.703,1021 1.267,1022 9.304,1023 4.391,1024 6.286,1025 7.462,1026 3.628,1027 11.099,1028 6.139,1029 9.089,1030 1.02,1031 11.081,1032 2.99,1033 6.847,1034 8.322,1035 4.112,1036 13.123,1037 6.605,1038 10.512,1039 1,1040 12.906,1041 2.481,1042 8.291,1043 10.105,1044 5.201,1045 15.778,1046 8.049,1047 11.962,1048 1,1049 14.766,1050 2.275,1051 9.211,1052 11.327,1053 5.889,1054 18.106,1055 8.884,1056 13.435,1057 0.544,1058 16.651,1059 2.136,1060 10.487,1061 12.946,1062 6.849,1063 20.649,1064 10.139,1065 3.394,1066 0.054,1067 18.555,1068 1.253,1069 11.567,1070 14.332,1071 7.625,1072 23.086,1073 11.144,1074 3.2,1075 12.509,1076 20.474,1077 0.15,1078 12.785,1079 15.89,1080 8.526,1081 25.598,1082 12.326,1083 2.701,1084 11.252,1085 22.404,1086 4.7,1087 13.934,1088 17.351,1089 9.342,1090 28.076,1091 13.409,1092 2.418,1093 8.845,1094 24.342,1095 4.254,1096 15.136,1097 18.887,1098 10.216,1099 30.581,1100 14.565,1101 2.294,1102 6.999,1103 26.288,1104 3.524,1105 16.314,1106 20.384,1107 11.051,1108 33.076,1109 15.682,1110 2.165,1111 6.285,1112 28.239,1113 3.395,1114 17.514,1115 21.915,1116 11.912,1117 35.583,1118 16.831,1119 1.891,1120 5.782,1121 30.195,1122 2.818,1123 18.706,1124 23.43,1125 12.755,1126 38.087,1127 17.965,1128 13271,1129 24339,1130 23.057,1131 38.71,1132 52.803,1133 54.576,1134 53.932,1135 52.724,1136 52.455,1137 69.49,1138 4.682,1139 153.896,1140 50.547,1141 5.8,1142 6.686,1143 7.11,1144 5.371,1145 5.394,1146 7.7,1147 3.925,1148 19.949,1149 5.207,1150 16.962,1151 1.509,1152 1.559,1153 1.541,1154 1.506,1155 1.499,1156 1.985,1157 0.134,1158 4.397,1159 1.444,1160 4.117,1161 4.125,1162 4.737,1163 4.088,1164 7.717,1165 4.039,1166 4.015,1167 4.009,1168 4.01,1169 3.99,1170 7.474,1171 3.945,1172 3.809,1173 3.851,1174 3.925,1175 3.713,1176 6.999,1177 3.712,1178 3.666,1179 3.692,1180 3.73,1181 3.578,1182 6.351,1183 3.529,1184 3.581,1185 3.583,1186 3.515,1187 3.435,1188 4.937,1189 3.416,1190 3.415,1191 3.439,1192 3.34,1193 3.297,1194 4.914,1195 3.28,1196 3.145,1197 3.195,1198 3.155,1199 2.985,1200 4.643,1201 2.981,1202 2.93,1203 2.985,1204 3.008,1205 2.782,1206 4.267,1207 2.772,1208 0.139,1209 0.134,1210 0.209,1211 0.123,1212 0.097,1213 4.852,1214 0.134,1215 4.686,1216 0.067,1217 7.308,1218 0.357,1219 4.316,1220 0.092,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.207,1226 2.052,1227 2.033,1228 2.15,1229 2.126,1230 1.473,1231 2.143,1232 1.948,1233 1.956,1234 1.957,1235 2.008,1236 1.202,1237 2.044,1238 1.795,1239 1.757,1240 1.93,1241 1.916,1242 1.126,1243 1.925,1244 1.611,1245 1.575,1246 1.812,1247 1.794,1248 0.98,1249 1.8,1250 1.473,1251 1.466,1252 1.641,1253 1.649,1254 0.797,1255 1.661,1256 1.349,1257 1.342,1258 1.451,1259 1.497,1260 0.75,1261 1.541,1262 1.125,1263 1.074,1264 1.181,1265 1.33,1266 0.515,1267 1.354,1268 0.889,1269 0.842,1270 1.173,1271 1.178,1272 0.304,1273 1.168,1274 4.263,1276 5.602,1278 7.138,1280 8.765,1282 10.442,1285 5.871,1289 9.238,1290 2.318,1291 2.813,1294 -0.236,1300 36.711,1301 93.894,1302 203.947,1303 257.975,1304 295.975,1305 297.975,1306 297.975,1307 79.086,1308 7.875,1309 96.36,1310 104.74,1311 24,1312 12.749,1313 4.459,1314 3.7,1315 51.785,1316 139,1317 150,1318 0.184,1319 231.176,1320 406.1,1321 555.831,1322 28121,1323 1.8,1324 22.717,1325 0.71,1326 0.59,1327 23.467,1328 18.864,1329 15.331,1330 0.438,1331 0.349,1332 10.439,1333 13.863,1334 10.069,1335 8.268,1336 16.441,1337 12.231,1338 14.527,1339 0.291,1340 0.201,1341 16.236,1342 10.03,1343 11.389,1344 0.178,1345 0.118,1346 12.782,1347 7.533,1348 9.458,1349 0.113,1350 0.067,1351 10.646,1352 5.639,1353 7.926,1354 0.071,1355 0.039,1356 9.035,1357 4.375,1358 0.289,1359 106.41,1360 0.208,1361 29.835,1362 0.509,1363 170,1364 516.398,1365 234.244,1366 551.549,1367 726.31,1368 506,1369 199,1370 469.464,1371 263.977,1372 522.769,1373 757.2,1374 491,1375 5} {0 CHEMBL285887,1 1.577,2 13.079,3 7.295,4 53.213,5 151.799,6 7.605,7 0.439,8 4.357,9 4.462,10 4.043,11 3.974,12 5.37,13 3.905,14 4.932,15 5.095,16 4.352,17 4.389,18 6.114,19 4.289,20 5.245,21 5.454,22 4.437,23 4.579,24 6.205,25 4.443,26 5.337,27 5.552,28 4.42,29 4.621,30 6.302,31 4.479,32 5.395,33 5.612,34 4.501,35 4.681,36 6.338,37 4.544,38 5.489,39 5.719,40 4.588,41 4.747,42 6.457,43 4.614,44 5.573,45 5.814,46 4.536,47 4.774,48 6.498,49 4.628,50 5.593,51 5.843,52 4.488,53 4.731,54 6.535,55 4.57,56 0.094,57 0.996,58 18.123,59 7.678,60 20.337,61 9.593,62 0.402,63 1.657,64 31.519,65 13.403,66 82.283,67 17.382,68 0.345,69 2.165,70 49.611,71 18.737,72 74.9,73 23.893,74 0.446,75 2.352,76 55.973,77 20.474,78 87.703,79 25.815,80 0.43,81 2.463,82 56.272,83 21.34,84 86.055,85 27.539,86 0.504,87 2.677,88 59.437,89 23.137,90 94.952,91 31.017,92 0.477,93 2.89,94 63.734,95 24.523,96 100.354,97 32.818,98 0.701,99 2.905,100 71.435,101 24.936,102 135.291,103 32.436,104 50,105 57,106 0.244,107 0.54,108 0.75,109 0.876,110 0.885,111 0.885,112 3.668,113 1.11,114 -5.56,115 -5.44,116 -5.07,118 41.1,119 1,120 10,126 1,140 7,141 6,142 2,143 2,154 1,163 1,167 1,168 22,169 1,171 1,172 3,175 3,177 3,180 30,181 1,186 7,191 5,194 34,195 1,198 10,203 5,206 30,207 2,210 8,215 4,218 31,219 4,222 13,227 8,229 30,230 5,234 13,239 8,242 26,243 2,247 11,252 4,253 1,255 21,256 2,259 10,260 1,262 2,263 1,264 4,267 17,268 2,270 2972,271 25.394,272 25.394,273 25.394,274 25.394,275 25.394,276 22.644,277 22.938,278 15.299,279 25.772,280 20.257,281 20.257,282 20.257,283 20.257,284 20.257,285 16.01,286 21.239,287 7.31,288 20.935,289 4.613,290 2.703,291 1.348,292 0.531,293 0.476,294 0.476,295 4.361,297 1,301 1047,302 4.637,306 478.256,310 184.216,313 1.873,314 48.244,317 0.5,318 0.67,319 0.67,320 0.9,321 0.5,322 0.67,323 0.5,324 0.63,325 81.333,326 497,327 4.852,328 4.686,329 7.308,330 4.318,331 3.395,332 4.7,333 2.341,334 12.509,335 3.24,336 4.579,337 3.606,338 6.835,339 4.228,340 3.233,341 4.293,342 0.68,343 11.378,344 3.082,345 3.952,346 3.454,347 6.026,348 3.651,349 2.658,350 3.467,352 8.606,353 2.637,354 3.842,355 2.955,356 5.556,357 3.478,358 2.493,359 3.396,361 7.423,362 2.457,363 3.759,364 2.898,365 5.326,366 3.314,367 2.391,368 3.118,370 6.7,371 2.227,372 3.567,373 2.72,374 5.179,375 3.242,376 2.241,377 2.783,379 6.314,380 2.183,381 3.405,382 2.377,383 5.051,384 3.089,385 2.111,386 2.63,388 6.011,389 2.045,390 3.204,391 2.217,392 4.646,393 2.959,394 1.972,395 2.347,397 5.11,398 1.93,399 3.021,400 1.792,401 4.618,402 2.668,403 1.671,404 2.129,406 4.558,407 1.664,408 2.887,409 1.697,410 4.111,411 2.507,412 1.557,413 2.044,415 3.563,416 1.414,417 2.683,418 1.638,419 3.889,420 2.422,421 1.453,422 1.687,424 3.176,425 1.404,426 2.5,427 1.506,428 3.59,429 2.176,430 1.179,431 1.5,433 2.942,434 1.173,435 2.5,436 1.289,437 3.439,438 2.022,439 1.023,440 1.5,442 2.275,443 1.02,444 2.266,445 1,446 3.414,447 2,448 1,449 1.248,451 2.243,452 1,453 2.107,454 1,455 3.247,456 1.956,457 1,458 1.076,460 2.136,461 0.953,462 18.681,463 0.492,464 0.995,465 0.026,466 45,467 1.184,468 22.5,469 0.592,470 22.5,471 0.592,472 43.61,473 1.148,474 41.919,475 0.574,476 36.958,477 0.973,478 7.992,479 0.21,480 10.272,481 0.27,482 0.136,483 0.045,484 0.268,487 0.568,488 1.198,489 0.767,490 1.119,491 0.653,492 0.976,493 0.446,494 1.104,495 0.786,496 1.004,497 0.415,498 1.021,499 0.837,500 1.043,501 0.985,502 1.027,503 0.783,504 1.01,505 0.952,506 1.056,507 1.067,508 1.102,509 0.933,510 1.051,511 0.852,512 1.049,513 0.764,514 0.976,515 0.965,516 1.032,517 0.545,518 1.061,519 0.683,520 0.991,521 0.601,522 1.013,523 0.81,524 1.048,525 0.736,526 0.944,527 0.813,528 1.018,529 1.056,530 1.014,531 0.915,532 0.963,533 1.038,534 0.999,535 8.5,536 0.367,537 4.222,538 2.688,539 2.302,540 1.618,541 1.176,542 0.847,543 0.722,544 0.495,545 20527,546 58617,547 2.031,548 47.9,549 17,550 8,552 2,553 2,554 2,555 4,558 1.795,559 1.892,560 3.607,561 0.123,567 115.126,568 1.577,569 3.487,570 4.842,571 5.659,572 5.714,573 5.714,574 3.065,575 4.754,576 5.213,577 3.803,578 2673.47,579 9.235,580 43904.5,585 451.857,586 1.538,587 5.168,588 0.207,589 0.008,590 0.074,591 0.045,592 0.038,593 0.025,594 0.017,595 0.013,596 0.012,597 0.009,598 0.448,599 0.17,600 0.63,601 1.367,602 208.924,603 0.05,604 -0.012,605 0.125,606 0.003,607 -0.083,608 0.049,609 0.261,610 -0.005,611 0.043,612 0.003,613 0.272,614 -0.023,615 -0.061,616 -0.006,617 -0.028,618 0.005,619 -0.028,620 -0.003,621 -0.095,622 -0.022,623 -0.107,624 -0.059,625 -0.047,626 -0.052,627 -0.051,628 -0.048,629 0.012,630 -0.015,631 -0.067,632 -0.041,633 0.138,634 -0.085,635 0.089,636 -0.059,637 0.097,638 -0.012,639 -0.021,640 -0.075,641 0.017,642 -0.036,643 -0.031,644 -0.037,645 -0.095,646 -0.035,647 -0.033,648 -0.012,649 -0.098,650 -0.026,651 4.604,652 6.051,653 0.579,654 47.474,655 0.999,656 1.12,657 4.332,658 18.763,659 0.675,660 3.738,661 4.06,662 4.29,663 4.564,664 4.852,665 5.011,666 5.17,667 5.357,668 5.509,669 5.591,670 7.68,671 0.628,672 555.19,673 3.738,674 5.283,675 6.12,676 7.004,677 7.87,678 8.766,679 9.646,680 10.549,681 11.437,682 12.345,683 2.7,685 1,693 1,699 9,700 1,704 8,706 18,723 1,724 73,726 21,727 2,728 41,730 76,731 30,733 17,734 7,735 5,739 4,740 5,741 1,745 1,748 4,751 11,753 18,754 12,756 3,760 1,761 3,765 1,772 35,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,836 1,837 1,840 38,844 1,845 1,846 10,847 1,850 1,861 1,862 5.5,864 1,865 3,869 20.083,870 13.043,871 8.403,872 4.802,874 2.826,875 1.346,876 0.964,877 9.729,878 10.995,879 3.989,880 4.58,881 5.048,882 5.575,883 6.111,884 6.354,885 6.643,886 6.965,887 7.324,888 7.613,889 0.889,890 60,891 14.421,893 6.405,894 7.838,895 27.363,897 23.148,899 2.338,900 88.861,904 388.446,905 149.481,906 33.191,907 39.149,908 112.141,910 5.807,911 143.674,912 539.736,913 33.191,914 8.825,915 25.345,916 88.546,917 153.379,918 42.26,920 364.904,921 39.149,922 388.446,923 176.864,924 112.141,925 44.956,927 341.362,928 159.226,931 68.67,932 91.408,933 61.742,935 388.446,936 145.332,937 188.63,939 5.807,940 388.446,941 50.42,942 93.254,943 16.405,944 168.075,945 388.446,946 145.332,947 188.63,949 0.576,950 0.316,951 0.168,952 0.102,953 25,954 12,955 0.158,956 12,957 1,958 1.091,959 4.608,960 374.37,961 0.091,962 22,963 193.421,967 1,968 28.45,969 12.996,970 7.524,972 145.332,973 16.025,974 4.279,978 7.701,980 59.088,981 722.408,982 53,986 -3.687,987 37.661,991 -0.805,994 72.934,995 81.757,996 0.255,997 0.563,998 0.782,999 0.914,1000 0.923,1001 0.923,1002 5.234,1003 1.972,1004 6.125,1005 6.011,1006 4.745,1007 5.268,1008 2.35,1009 6.959,1010 4.683,1011 6.452,1012 1.671,1013 7.7,1014 5.11,1015 4.443,1016 5.293,1017 2.243,1018 8.095,1019 4.295,1020 7.787,1021 1.557,1022 9.391,1023 4.558,1024 6.389,1025 7.52,1026 3.64,1027 11.159,1028 6.256,1029 9.163,1030 1.453,1031 11.154,1032 3.563,1033 6.909,1034 8.374,1035 4.112,1036 13.155,1037 6.684,1038 10.578,1039 1.179,1040 12.968,1041 3.176,1042 8.366,1043 10.145,1044 5.203,1045 15.815,1046 8.143,1047 12.022,1048 1.023,1049 14.818,1050 2.942,1051 9.263,1052 11.364,1053 5.889,1054 18.132,1055 8.955,1056 13.489,1057 1,1058 16.695,1059 2.275,1060 10.544,1061 12.977,1062 6.849,1063 20.678,1064 10.218,1065 3.395,1066 1,1067 18.592,1068 2.243,1069 11.613,1070 14.362,1071 7.625,1072 23.111,1073 11.215,1074 3.233,1075 12.509,1076 20.505,1077 2.136,1078 12.833,1079 15.917,1080 8.526,1081 25.625,1082 12.402,1083 2.658,1084 11.378,1085 22.43,1086 4.7,1087 13.978,1088 17.378,1089 9.342,1090 28.103,1091 13.485,1092 2.493,1093 8.606,1094 24.366,1095 4.293,1096 15.181,1097 18.914,1098 10.216,1099 30.61,1100 14.646,1101 2.391,1102 7.423,1103 26.309,1104 3.467,1105 16.36,1106 20.411,1107 11.051,1108 33.105,1109 15.769,1110 2.241,1111 6.7,1112 28.258,1113 3.396,1114 17.56,1115 21.941,1116 11.912,1117 35.612,1118 16.924,1119 2.111,1120 6.314,1121 30.213,1122 3.118,1123 18.753,1124 23.456,1125 12.755,1126 38.116,1127 18.065,1128 20013,1129 34138,1130 26.929,1131 49.279,1132 60.454,1133 62.559,1134 62.377,1135 60.632,1136 60.352,1137 77.573,1138 6.042,1139 173.178,1140 58.446,1141 5.8,1142 6.686,1143 7.216,1144 5.374,1145 5.395,1146 7.7,1147 3.925,1148 20.063,1149 5.24,1150 20.914,1151 1.474,1152 1.526,1153 1.521,1154 1.479,1155 1.472,1156 1.892,1157 0.147,1158 4.224,1159 1.426,1160 4.125,1161 4.137,1162 4.737,1163 4.093,1164 7.717,1165 4.05,1166 4.02,1167 4.011,1168 4.017,1169 3.998,1170 7.474,1171 3.946,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.758,1178 3.726,1179 3.784,1180 3.782,1181 3.622,1182 6.351,1183 3.596,1184 3.654,1185 3.695,1186 3.551,1187 3.55,1188 4.932,1189 3.507,1190 3.583,1191 3.593,1192 3.502,1193 3.44,1194 4.899,1195 3.417,1196 3.484,1197 3.505,1198 3.387,1199 3.366,1200 4.661,1201 3.347,1202 3.258,1203 3.339,1204 3.159,1205 3.108,1206 4.268,1207 3.087,1208 0.118,1209 0.114,1210 0.178,1211 0.105,1212 0.083,1213 4.852,1214 0.115,1215 4.686,1216 0.057,1217 7.308,1218 0.305,1219 4.318,1220 0.079,1221 3.395,1222 4.7,1223 2.341,1224 12.509,1225 3.24,1226 2.061,1227 2.041,1228 2.165,1229 2.133,1230 1.505,1231 2.151,1232 1.949,1233 1.957,1234 1.995,1235 2.011,1236 1.332,1237 2.049,1238 1.835,1239 1.798,1240 1.97,1241 1.953,1242 1.204,1243 1.961,1244 1.737,1245 1.678,1246 1.949,1247 1.893,1248 1.132,1249 1.929,1250 1.626,1251 1.581,1252 1.84,1253 1.802,1254 1.095,1255 1.817,1256 1.502,1257 1.474,1258 1.725,1259 1.69,1260 0.94,1261 1.7,1262 1.393,1263 1.402,1264 1.602,1265 1.55,1266 0.797,1267 1.597,1268 1.288,1269 1.213,1270 1.45,1271 1.48,1272 0.751,1273 1.524,1274 4.419,1276 5.74,1278 7.255,1280 8.867,1282 10.536,1284 2.181,1285 5.939,1289 9.49,1290 7.428,1291 2.892,1294 -0.243,1300 45.872,1301 115.126,1302 254.518,1303 353.477,1304 413.102,1305 417.102,1306 417.102,1307 105.657,1308 8.169,1309 96.36,1310 104.74,1311 24,1312 12.866,1313 4.459,1314 3.7,1315 67.031,1316 172,1317 204,1318 0.187,1319 288.731,1320 509.9,1321 696.262,1322 39426,1323 1.4,1324 27.123,1325 0.714,1326 0.614,1327 27.873,1328 23.322,1329 18.263,1330 0.445,1331 0.37,1332 13.374,1333 16.795,1334 12.883,1335 10.676,1336 19.373,1337 15.166,1338 16.783,1339 0.294,1340 0.214,1341 18.491,1342 12.185,1343 12.976,1344 0.18,1345 0.125,1346 14.369,1347 9.032,1348 10.743,1349 0.113,1350 0.072,1351 11.932,1352 6.81,1353 8.995,1354 0.071,1355 0.042,1356 10.105,1357 5.291,1358 0.291,1359 124.001,1360 0.193,1361 34.11,1362 0.527,1363 196,1364 544.398,1365 260.244,1366 580.819,1367 767.26,1368 534,1369 227,1370 498.464,1371 291.977,1372 553.697,1373 801.17,1374 520,1375 5.18} {0 CHEMBL286092,1 1.571,2 9.526,3 0.969,4 0.94,5 72.836,6 7.204,7 0.55,8 3.671,9 3.795,10 3.209,11 3.128,12 4.791,13 3.122,14 4.185,15 4.387,16 3.483,17 3.456,18 5.242,19 3.435,20 4.312,21 4.5,22 3.427,23 3.541,24 5.414,25 3.469,26 4.401,27 4.633,28 3.273,29 3.464,30 5.483,31 3.371,32 4.223,33 4.455,34 3.117,35 3.357,36 5.199,37 3.239,38 4.162,39 4.442,40 2.969,41 3.262,42 5.048,43 3.104,44 3.93,45 4.192,46 2.922,47 3.086,48 4.826,49 2.98,50 3.786,51 3.99,52 2.74,53 2.901,54 4.843,55 2.834,56 0.013,57 0.527,58 7.643,59 2.987,60 5.415,61 4.177,62 0.274,63 0.779,64 14.657,65 4.357,66 16.92,67 6.322,68 0.215,69 0.811,70 16.494,71 5.974,72 23.532,73 8.134,74 0.322,75 0.794,76 19.426,77 6.072,78 51.024,79 8.471,80 0.23,81 0.706,82 15.685,83 5.339,84 27.596,85 7.647,86 0.288,87 0.647,88 15.252,89 5.243,90 27.402,91 7.906,92 0.093,93 0.537,94 11.669,95 4.032,96 13.331,97 6.026,98 0.223,99 0.452,100 10.305,101 2.874,102 23.575,103 4.012,104 12,105 26,106 0.289,107 0.629,108 0.779,109 0.799,110 0.799,111 0.799,112 3.008,113 0.91,114 -2.67,115 -2.69,116 -2.62,118 38.9,123 2,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 4,171 2,172 4,180 4,185 1,186 6,194 2,198 5,209 1,210 2,221 2,222 2,234 3,247 2,258 2,259 1,270 437,271 12.69,272 12.69,273 12.69,274 12.69,275 12.69,276 11.278,277 13.34,278 7.668,279 13.104,280 9.841,281 9.841,282 9.841,283 9.841,284 9.841,285 7.684,286 12.775,287 3.624,288 10.446,289 3.598,290 1.746,291 0.931,292 0.82,293 0.82,294 0.82,295 3.664,299 1,300 1,301 373,302 3.24,305 62.025,306 68.242,313 1.762,314 15.523,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41.5,326 181,327 4.24,328 3.664,329 6.284,330 3.91,331 2.919,332 3.791,333 1.2,334 9.192,335 2.889,336 3.923,337 2.89,338 5.379,339 3.474,340 2.558,341 3.479,342 0.86,343 7.049,344 2.344,345 3.779,346 2.626,347 5.325,348 3.382,349 2.444,350 3.13,351 0.293,352 6.895,353 2.283,354 3.112,355 2.12,356 4.819,357 2.808,358 1.871,359 2.235,361 5.028,362 1.745,363 2.711,364 1.912,365 3.615,366 2.347,367 1.414,368 1.773,370 3.011,371 1.313,372 2.5,373 1.567,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.236,382 1.167,383 3.296,384 1.881,385 0.963,386 1.153,388 2.113,389 0.874,390 2.118,391 1,392 3.078,393 1.687,394 0.673,395 0.927,397 1.506,398 0.673,399 2.096,400 0.618,401 3,402 1.553,403 0.618,404 0.885,406 1.372,407 0.577,408 1.214,409 0.245,410 2.49,411 0.882,412 -0.057,413 -0.068,415 -0.134,416 -0.052,417 0.693,418 -0.234,419 2,420 0.323,421 -0.635,422 -0.804,424 -1.441,425 -0.597,426 0.5,427 -0.6,428 1.918,430 -1,431 -1,433 -2,434 -0.9,435 0.07,436 -0.625,437 1.616,438 -0.1,439 -1,440 -1.471,442 -2.823,443 -1,445 -1,446 1.29,447 -0.271,448 -1.227,449 -1.5,451 -3,452 -1.155,453 -0.058,454 -1.092,455 1.022,456 -0.418,457 -1.414,458 -1.799,460 -3.712,461 -1.415,462 8.867,463 0.467,464 0.421,465 0.022,466 24.75,467 1.303,468 12,469 0.632,470 12.75,471 0.671,472 11.734,473 0.618,474 21.133,475 0.587,476 16.506,477 0.869,478 5.275,479 0.278,480 3.889,481 0.205,482 0.15,484 0.259,487 0.793,488 1.7,489 0.796,490 1.335,491 0.587,492 1.104,493 1.196,494 0.795,495 0.946,496 0.735,497 0.699,498 0.762,499 1.151,500 1.144,501 1.111,502 1.248,503 0.96,504 1.193,505 1.536,506 0.948,507 1.139,508 0.986,509 2.046,510 1.009,511 0.988,512 1.07,513 1.109,514 1.165,515 0.966,516 1.168,517 0.338,518 0.876,519 0.79,520 0.939,521 0.3,522 0.947,523 0.575,524 1.043,525 0.73,526 1.005,527 0.421,528 0.909,529 2.007,530 1.009,531 1.412,532 0.919,533 1.668,534 1.055,535 3.5,536 0.079,537 2,538 0.847,539 0.547,540 0.462,541 0.289,542 0.109,543 0.103,544 0.087,545 3579,546 10044,547 1.995,548 47.2,550 14,551 1,552 2,558 1.593,559 1.869,560 3.248,561 -0.724,563 1,565 1,567 56.573,568 1.571,569 3.424,570 4.239,571 4.35,572 4.35,573 4.35,574 2.695,575 3.577,576 4.218,577 3.429,578 586.391,579 7.136,580 6101.64,581 1,582 1,585 186.117,586 1.384,587 4.178,588 0.175,589 0.01,590 0.077,591 0.037,592 0.029,593 0.029,594 0.021,595 0.008,596 0.009,597 0.011,598 0.405,599 0.67,600 1,601 1.091,602 85.106,603 -0.013,604 -0.465,605 0.069,606 -0.235,607 -0.029,608 -0.097,609 -0.092,610 0.344,611 0.023,612 0.216,613 0.003,614 0.162,615 -0.061,616 -0.126,617 -0.165,618 -0.21,619 0.019,620 -0.206,621 -0.23,622 -0.05,623 -0.126,624 -0.017,625 -0.253,626 -0.051,627 -0.031,628 -0.116,629 -0.151,630 -0.166,631 -0.102,632 -0.18,633 0.327,634 0.01,635 0.163,636 0.058,637 0.2,638 0.077,639 0.083,640 -0.109,641 0.213,642 -0.001,643 0.115,644 0.113,645 -0.465,646 -0.025,647 -0.385,648 0.014,649 -0.367,650 -0.152,651 1.676,652 4.7,653 0.579,654 16.737,655 1.004,656 1.134,657 1.444,658 2.086,659 0.646,660 3.045,661 3.296,662 3.466,663 3.555,664 3.555,665 3.555,666 3.611,667 3.497,668 3.434,669 3.497,670 5.884,671 0.616,672 259.34,673 3.045,674 4.533,675 5.333,676 6.155,677 6.969,678 7.794,679 8.612,680 9.438,681 10.258,682 11.085,683 8.3,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,713 1,722 1,724 36,726 12,727 1,728 20,730 37,731 14,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 4,756 1,761 1,765 1,768 1,769 1,772 17,773 4,775 5,778 1,779 3,784 1,785 2,801 1,802 1,832 2,836 2,840 19,846 2,848 1,851 1,862 5.6,865 1,867 1,869 10.167,870 7.017,871 4.306,872 1.963,874 1.917,875 1.318,876 0.935,877 4.58,878 7.95,879 3.314,880 3.823,881 4.312,882 4.722,883 4.952,884 5.037,885 5.211,886 5.124,887 5.256,888 5.663,889 1,890 23,891 6.981,893 2.784,894 7.789,895 13.225,897 10.042,899 2.289,900 43.5,901 0.001,904 200.109,905 101.243,906 21.809,908 36.145,911 101.243,912 236.254,913 21.809,914 16.793,915 9.822,916 46.952,917 78.796,918 30.375,919 11.771,920 164.795,922 200.109,923 123.052,924 36.145,927 200.109,928 36.145,931 29.388,932 76.879,933 16.786,935 200.109,936 57.954,937 101.243,940 200.109,941 19.832,942 86.435,944 52.93,945 200.109,946 57.954,947 101.243,949 0.571,950 0.322,951 0.15,952 0.065,953 11,954 5,955 0.135,956 5,958 1,959 3.265,960 123.844,962 11,963 74.711,968 13.622,969 6.387,970 3.828,972 56.055,973 12.547,974 3.961,978 1.419,979 1.948,981 359.305,982 26.5,987 11.7,991 -0.009,994 36.145,995 40.82,996 0.304,997 0.662,998 0.82,999 0.841,1000 0.841,1001 0.841,1002 4.497,1003 0.673,1004 5.283,1005 2.113,1006 3.97,1007 4.505,1008 1.679,1009 5.989,1010 3.867,1011 5.663,1012 0.618,1013 6.788,1014 1.506,1015 3.434,1016 4.086,1017 0.325,1018 6.72,1019 3.297,1020 6.927,1021 -0.057,1022 8.393,1023 1.372,1024 5.468,1025 6.575,1026 1.728,1027 9.729,1028 5.282,1029 8.229,1030 -0.635,1031 10.058,1032 -0.134,1033 5.771,1034 7.01,1035 0.653,1036 11.289,1037 5.571,1038 9.563,1039 -1,1040 11.761,1041 -1.441,1042 7.233,1043 8.902,1044 1.872,1045 13.79,1046 6.995,1047 10.917,1048 -1,1049 13.49,1050 -2,1051 7.912,1052 9.723,1053 1.001,1054 15.691,1055 7.674,1056 12.287,1057 -1.227,1058 15.238,1059 -2.823,1060 9.14,1061 11.35,1062 2.071,1063 18.017,1064 8.875,1065 2.919,1066 -1.414,1067 17,1068 -3,1069 10.001,1070 12.373,1071 1.37,1072 20.077,1073 9.74,1074 2.558,1075 9.192,1076 18.773,1077 -3.712,1078 11.126,1079 13.865,1080 2.309,1081 22.336,1082 10.85,1083 2.444,1084 7.049,1085 20.555,1086 3.791,1087 12.079,1088 15.001,1089 1.754,1090 24.473,1091 11.809,1092 1.871,1093 6.895,1094 22.345,1095 3.479,1096 13.16,1097 16.421,1098 2.576,1099 26.706,1100 12.882,1101 1.414,1102 5.028,1103 24.142,1104 3.13,1105 14.161,1106 17.625,1107 2.143,1108 28.883,1109 13.888,1110 1,1111 3.011,1112 25.944,1113 2.235,1114 15.225,1115 19.003,1116 2.865,1117 31.106,1118 14.949,1119 0.963,1120 2.275,1121 27.751,1122 1.773,1123 16.253,1124 20.249,1125 2.535,1126 33.302,1127 15.979,1128 3608,1129 6128,1130 13.118,1131 23.256,1132 29.579,1133 29.981,1134 29.621,1135 28.984,1136 28.921,1137 37.745,1138 4.706,1139 76.884,1140 27.396,1141 5.114,1142 5.664,1143 5.941,1144 4.995,1145 4.919,1146 6.791,1147 2.293,1148 15.625,1149 4.889,1150 9.322,1151 1.479,1152 1.499,1153 1.481,1154 1.449,1155 1.446,1156 1.887,1157 0.235,1158 3.844,1159 1.37,1160 3.966,1161 4.012,1162 3.908,1163 3.86,1164 7.428,1165 3.865,1166 3.893,1167 3.937,1168 3.836,1169 3.698,1170 4.962,1171 3.726,1172 3.569,1173 3.639,1174 3.467,1175 3.32,1176 4.82,1177 3.345,1178 3.339,1179 3.403,1180 3.18,1181 3.131,1182 4.31,1183 3.131,1184 2.991,1185 3.023,1186 2.857,1187 2.804,1188 4.177,1189 2.808,1190 2.874,1191 3.009,1192 2.687,1193 2.735,1194 3.674,1195 2.715,1196 2.854,1197 2.925,1198 2.499,1199 2.618,1200 3.667,1201 2.57,1202 2.594,1203 2.661,1204 2.457,1205 2.328,1206 3.467,1207 2.327,1208 0.212,1209 0.183,1210 0.314,1211 0.196,1212 0.146,1213 4.24,1214 0.19,1215 3.664,1216 0.06,1217 6.284,1218 0.46,1219 3.91,1220 0.144,1221 2.919,1222 3.791,1223 1.2,1224 9.192,1225 2.889,1226 1.902,1227 1.883,1228 2.004,1229 2.016,1230 1.118,1231 2.011,1232 1.632,1233 1.565,1234 1.83,1235 1.874,1236 1.053,1237 1.863,1238 1.488,1239 1.41,1240 1.761,1241 1.753,1242 0.821,1243 1.759,1244 1.308,1245 1.243,1246 1.5,1247 1.527,1248 0.528,1249 1.52,1250 1.105,1251 1.044,1252 1.417,1253 1.385,1254 0.469,1255 1.376,1256 0.934,1257 0.855,1258 1.331,1259 1.239,1260 0.317,1261 1.308,1262 0.9,1263 0.821,1264 1.181,1265 1.133,1266 0.218,1267 1.114,1268 0.886,1269 0.804,1270 1.078,1271 1.062,1272 0.151,1273 1.107,1274 3.714,1276 4.977,1277 2.398,1278 6.415,1279 4.443,1280 7.929,1281 6.26,1282 9.483,1284 3.468,1290 1.315,1292 5.601,1295 1.551,1300 22.181,1301 56.573,1302 123.247,1303 152.608,1304 156.608,1305 156.608,1306 156.608,1307 27.96,1308 6.033,1309 47.36,1310 47.36,1311 11,1312 11.662,1313 3.7,1314 2.907,1315 34.05,1316 67,1317 52,1318 0.25,1319 141.087,1320 238.98,1321 336.013,1322 2833,1324 13.665,1325 0.719,1326 0.585,1327 13.665,1328 11.114,1329 9.165,1330 0.458,1331 0.303,1332 5.939,1333 8.675,1334 5.731,1335 4.823,1336 9.165,1337 6.069,1338 7.965,1339 0.306,1340 0.168,1341 7.965,1342 4.373,1343 6.386,1344 0.206,1345 0.087,1346 6.386,1347 2.685,1348 4.541,1349 0.134,1350 0.048,1351 4.541,1352 1.64,1353 2.944,1354 0.087,1355 0.027,1356 2.944,1357 0.905,1358 0.402,1359 58.33,1360 0.276,1361 19.665,1362 0.651,1363 92,1364 302.406,1365 103.03,1366 286.503,1367 382.44,1368 268,1369 103,1370 271.133,1371 114.892,1372 275.717,1373 392.54,1374 255,1375 5.959} {0 CHEMBL286308,1 1.606,2 9.389,3 0.763,4 0.583,5 67.939,6 7.434,7 0.579,8 3.594,9 3.717,10 3.154,11 3.059,12 4.743,13 3.06,14 4.089,15 4.274,16 3.414,17 3.377,18 5.205,19 3.358,20 4.229,21 4.431,22 3.33,23 3.421,24 5.317,25 3.356,26 4.203,27 4.409,28 3.175,29 3.323,30 5.321,31 3.245,32 4.133,33 4.379,34 3,35 3.207,36 5.105,37 3.094,38 3.972,39 4.244,40 2.883,41 3.085,42 4.911,43 2.953,44 3.753,45 3.99,46 2.836,47 2.975,48 4.709,49 2.888,50 3.695,51 3.909,52 2.656,53 2.837,54 4.759,55 2.755,56 0.034,57 0.488,58 6.729,59 2.692,60 5.543,61 3.652,62 0.251,63 0.712,64 12.735,65 4.066,66 19.015,67 5.641,68 0.269,69 0.726,70 15.356,71 5.315,72 26.042,73 7.198,74 0.256,75 0.684,76 15.192,77 4.982,78 38.407,79 6.749,80 0.259,81 0.623,82 14.646,83 4.716,84 29.103,85 6.79,86 0.285,87 0.539,88 12.675,89 4.223,90 25.439,91 6.357,92 0.104,93 0.471,94 9.483,95 3.335,96 11.943,97 4.856,98 0.179,99 0.428,100 9.113,101 2.717,102 21.59,103 3.843,104 7,105 24,106 0.301,107 0.676,108 0.827,109 0.85,110 0.85,111 0.85,112 2.957,113 0.9,114 -2.41,115 -2.44,116 -2.39,118 39.4,123 1,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 4,171 1,172 3,175 1,177 1,180 4,185 1,186 4,191 2,194 2,198 3,203 2,209 1,210 2,221 1,222 2,225 1,234 3,247 2,258 1,259 1,262 1,270 382,271 12.353,272 12.353,273 12.353,274 12.353,275 12.353,276 10.916,277 12.724,278 7.528,279 12.735,280 9.304,281 9.304,282 9.304,283 9.304,284 9.304,285 7.11,286 11.304,287 3.492,288 9.827,289 3.438,290 1.433,291 0.629,292 0.508,293 0.508,294 0.508,295 3.616,299 1,300 1,301 350,302 2.915,305 57.607,306 63.814,313 1.722,314 14.846,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 169,327 4.185,328 3.551,329 6.021,330 3.816,331 2.816,332 3.766,333 1.058,334 8.543,335 2.813,336 3.922,337 2.886,338 5.366,339 3.465,340 2.55,341 3.479,342 0.86,343 7.027,344 2.33,345 3.718,346 2.625,347 5.296,348 3.325,349 2.379,350 3.063,352 6.814,353 2.239,354 2.889,355 2.03,356 4.126,357 2.487,358 1.53,359 1.946,361 3.594,362 1.451,363 2.701,364 1.568,365 3.599,366 2.303,367 1.353,368 1.758,370 2.964,371 1.278,372 2.5,373 1.169,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.149,382 1.09,383 3.182,384 1.818,385 0.913,386 1.091,388 2.005,389 0.82,390 2.118,391 1,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.479,400 0.618,401 2.604,402 1.215,403 0.248,404 0.283,406 0.357,407 0.237,408 1.212,409 0.239,410 2.338,411 0.87,412 -0.077,413 -0.093,415 -0.167,416 -0.072,417 0.692,418 -0.247,419 2,420 0.323,421 -0.636,422 -0.806,424 -1.437,425 -0.599,426 0.5,427 -0.622,428 1.685,430 -1,431 -1.467,433 -2.803,434 -1,435 0.068,436 -1,437 1.436,438 -0.266,439 -1.226,440 -1.5,442 -2.931,443 -1.155,444 -0.053,445 -1.075,446 1.022,447 -0.396,448 -1.378,449 -1.719,451 -3,452 -1.366,453 -0.118,454 -1.363,455 1,456 -0.702,457 -1.618,458 -1.887,460 -4.273,461 -1.463,462 8.367,463 0.465,464 0.294,465 0.016,466 24,467 1.333,468 12,469 0.667,470 12,471 0.667,472 10.276,473 0.571,474 19.833,475 0.601,476 15.28,477 0.849,478 5.134,479 0.285,480 3.658,481 0.203,482 0.1,484 0.227,487 0.825,488 1.57,489 0.781,490 1.246,491 0.592,492 1.036,493 1.126,494 0.909,495 0.976,496 0.877,497 0.702,498 0.878,499 1.186,500 0.987,501 1.047,502 1.07,503 0.995,504 1.048,505 1.445,506 1.121,507 1.227,508 1.184,509 1.715,510 1.182,511 1,512 0.982,513 1.048,514 1.064,515 0.965,516 1.073,517 0.367,518 0.825,519 0.744,520 0.86,521 0.276,522 0.875,523 0.689,524 1.076,525 0.831,526 1.025,527 0.504,528 0.965,529 1.479,530 1.112,531 1.315,532 1.05,533 1.51,534 1.14,535 3,536 0.046,537 1.778,538 0.597,539 0.387,540 0.434,541 0.208,542 0.078,543 0.079,544 0.087,545 3124,546 9287,547 2.026,548 45.5,550 11,551 1,552 2,553 1,558 1.576,559 1.929,560 3.229,561 -0.225,563 1,565 1,567 53.001,568 1.606,569 3.611,570 4.415,571 4.537,572 4.537,573 4.537,574 2.711,575 3.614,576 4.14,577 3.388,578 518.359,579 6.977,580 5163.14,582 1,585 166.465,586 1.224,587 4.116,588 0.158,589 0.007,590 0.074,591 0.028,592 0.023,593 0.031,594 0.016,595 0.006,596 0.008,597 0.012,598 0.363,599 0.67,600 1,601 1.047,602 78.999,603 -0.052,604 -0.349,605 0.052,606 -0.172,607 -0.036,608 -0.061,609 -0.078,610 0.217,611 -0.043,612 0.09,613 0.004,614 0.048,615 -0.082,616 -0.019,617 -0.086,618 -0.06,619 -0.012,620 -0.072,621 -0.236,622 -0.179,623 -0.249,624 -0.199,625 -0.232,626 -0.224,627 -0.02,628 -0.079,629 -0.063,630 -0.092,631 -0.084,632 -0.089,633 0.357,634 0.058,635 0.23,636 0.131,637 0.254,638 0.153,639 0.003,640 -0.106,641 0.1,642 -0.009,643 0.049,644 0.053,645 -0.326,646 -0.123,647 -0.339,648 -0.102,649 -0.314,650 -0.209,651 1.764,652 4.332,653 0.611,654 15.136,655 1.008,656 1.133,657 1.181,658 1.394,659 0.651,660 2.996,661 3.219,662 3.401,663 3.497,664 3.497,665 3.497,666 3.497,667 3.367,668 3.367,669 3.434,670 5.689,671 0.626,672 245.31,673 2.996,674 4.466,675 5.263,676 6.075,677 6.884,678 7.701,679 8.514,680 9.332,681 10.146,682 10.965,683 9.1,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,712 1,722 1,724 33,726 12,727 1,728 19,730 34,731 13,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 3,756 1,761 1,765 1,769 1,772 15,773 4,774 1,775 5,778 1,779 3,784 1,785 2,801 1,802 1,832 2,836 1,840 18,846 2,847 1,848 1,862 6.1,865 1,867 1,869 9.333,870 6.067,871 4.194,872 1.825,874 1.93,875 1.325,876 0.946,877 4.367,878 7.863,879 3.277,880 3.778,881 4.271,882 4.695,883 4.92,884 4.992,885 5.114,886 4.984,887 5.22,888 5.639,889 1,890 21,891 6.599,893 2.635,894 7.833,895 12.443,897 9.432,899 2.333,900 42,901 0.001,904 164.795,905 92.847,906 36.695,908 36.145,911 92.847,912 200.94,913 36.695,914 8.396,915 24.709,916 46.952,917 78.796,918 30.375,919 11.771,920 129.482,922 164.795,923 129.542,924 36.145,927 164.795,928 36.145,931 44.274,932 68.482,933 16.786,935 164.795,936 72.84,937 92.847,940 164.795,941 19.832,942 74.914,943 18.011,944 52.93,945 164.795,946 72.84,947 92.847,949 0.558,950 0.323,951 0.155,952 0.067,953 10,954 4,955 0.147,956 5,958 1,959 3.208,960 113.808,962 11,963 71.059,968 12.647,969 6.215,970 3.595,972 70.941,973 12.433,974 3.951,978 1.377,979 1.943,980 18.011,981 330.482,982 25.5,987 11.332,991 -0.097,994 33.262,995 37.405,996 0.318,997 0.716,998 0.875,999 0.899,1000 0.899,1001 0.899,1002 4.44,1003 0.618,1004 5.187,1005 2.005,1006 3.892,1007 4.46,1008 1.552,1009 5.866,1010 3.797,1011 5.595,1012 0.248,1013 6.668,1014 1.372,1015 3.219,1016 3.98,1018 6.529,1019 3.12,1020 6.853,1021 -0.077,1022 8.247,1023 0.357,1024 5.361,1025 6.535,1026 1.527,1027 9.518,1028 5.192,1029 8.15,1030 -0.636,1031 9.884,1032 -0.167,1033 5.565,1034 6.935,1036 11.021,1037 5.402,1038 9.478,1039 -1,1040 11.558,1041 -1.437,1042 7.081,1043 8.859,1044 1.53,1045 13.459,1046 6.867,1047 10.826,1048 -1.226,1049 13.258,1050 -2.803,1051 7.683,1052 9.657,1054 15.296,1055 7.483,1056 12.189,1057 -1.378,1058 14.974,1059 -2.931,1060 8.93,1061 11.301,1062 1.557,1063 17.54,1064 8.698,1065 2.816,1066 -1.618,1067 16.703,1068 -3,1069 9.728,1070 12.307,1072 19.528,1073 9.512,1074 2.55,1075 8.543,1076 18.441,1077 -4.273,1078 10.851,1079 13.808,1080 1.603,1081 21.699,1082 10.618,1083 2.379,1084 7.027,1085 20.185,1086 3.766,1087 11.75,1088 14.931,1090 23.759,1091 11.533,1092 1.53,1093 6.814,1094 21.936,1095 3.479,1096 12.814,1097 16.354,1098 1.663,1099 25.904,1100 12.592,1101 1.353,1102 3.594,1103 23.691,1104 3.063,1105 13.766,1106 17.547,1108 28.002,1109 13.56,1110 1,1111 2.964,1112 25.45,1113 1.946,1114 14.804,1115 18.926,1116 1.734,1117 30.139,1118 14.599,1119 0.913,1120 2.275,1121 27.213,1122 1.758,1123 15.786,1124 20.162,1126 32.256,1127 15.595,1128 3142,1129 5495,1130 12.712,1131 21.495,1132 27.16,1133 28.034,1134 27.744,1135 26.816,1136 26.813,1137 35.626,1138 3.837,1139 69.901,1140 25.49,1141 5.057,1142 5.551,1143 5.679,1144 4.9,1145 4.816,1146 6.766,1147 2.117,1148 14.342,1149 4.813,1150 7.446,1151 1.429,1152 1.475,1153 1.46,1154 1.411,1155 1.411,1156 1.875,1157 0.202,1158 3.679,1159 1.342,1160 3.962,1161 4.01,1162 3.904,1163 3.856,1164 7.429,1165 3.861,1166 3.89,1167 3.931,1168 3.834,1169 3.697,1170 4.962,1171 3.726,1172 3.49,1173 3.553,1174 3.396,1175 3.229,1176 4.821,1177 3.26,1178 3.319,1179 3.392,1180 3.152,1181 3.103,1182 4.312,1183 3.103,1184 2.971,1185 3.021,1186 2.793,1187 2.772,1188 4.149,1189 2.766,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.674,1195 2.715,1196 2.607,1197 2.676,1198 2.46,1199 2.332,1200 3.667,1201 2.336,1202 2.472,1203 2.563,1204 2.27,1205 2.234,1206 3.343,1207 2.251,1208 0.22,1209 0.187,1210 0.317,1211 0.201,1212 0.148,1213 4.185,1214 0.198,1215 3.551,1216 0.056,1217 6.021,1218 0.45,1219 3.816,1220 0.148,1221 2.816,1222 3.766,1223 1.058,1224 8.543,1225 2.813,1226 1.899,1227 1.88,1228 2.001,1229 2.011,1230 1.115,1231 2.006,1232 1.63,1233 1.563,1234 1.827,1235 1.868,1236 1.047,1237 1.858,1238 1.382,1239 1.31,1240 1.675,1241 1.68,1242 0.679,1243 1.679,1244 1.307,1245 1.24,1246 1.5,1247 1.527,1248 0.528,1249 1.52,1250 1.099,1251 1.03,1252 1.332,1253 1.381,1254 0.318,1255 1.375,1256 0.904,1257 0.848,1258 1.181,1259 1.151,1260 0.218,1261 1.145,1262 0.886,1263 0.821,1264 1.116,1265 1.062,1266 0.168,1267 1.107,1268 0.425,1269 0.369,1270 0.844,1271 0.77,1273 0.788,1274 3.664,1276 4.905,1277 2.398,1278 6.33,1279 4.443,1280 7.832,1281 6.26,1282 9.374,1284 1.609,1290 1.312,1291 2.572,1292 5.567,1300 20.655,1301 53.001,1302 119.162,1303 145.71,1304 149.71,1305 149.71,1306 149.71,1307 24.437,1308 5.932,1309 56.15,1310 56.15,1311 11,1312 11.547,1313 3.7,1314 2.907,1315 31.373,1316 61,1317 52,1318 0.251,1319 131.495,1320 221.68,1321 312.608,1322 2494,1324 12.795,1325 0.711,1326 0.565,1327 12.795,1328 10.167,1329 8.792,1330 0.463,1331 0.3,1332 5.583,1333 8.33,1334 5.449,1335 4.557,1336 8.792,1337 5.701,1338 7.248,1339 0.302,1340 0.156,1341 7.248,1342 3.752,1343 6.04,1344 0.208,1345 0.087,1346 6.04,1347 2.521,1348 4.374,1349 0.137,1350 0.048,1351 4.374,1352 1.535,1353 2.82,1354 0.088,1355 0.026,1356 2.82,1357 0.844,1358 0.405,1359 55.908,1360 0.28,1361 18.76,1362 0.654,1363 86,1364 291.094,1365 96.67,1366 275.047,1367 367.7,1368 258,1369 96,1370 260.429,1371 106.728,1372 262.042,1373 374.4,1374 245,1375 6.066} {0 CHEMBL286412,1 1.616,2 12.528,3 6.382,4 40.734,5 142.597,6 7.868,7 0.462,8 4.28,9 4.38,10 4.001,11 3.905,12 5.32,13 3.842,14 4.847,15 5.002,16 4.317,17 4.32,18 6.072,19 4.229,20 5.153,21 5.349,22 4.404,23 4.514,24 6.154,25 4.386,26 5.254,27 5.457,28 4.387,29 4.558,30 6.256,31 4.425,32 5.317,33 5.522,34 4.461,35 4.62,36 6.295,37 4.489,38 5.429,39 5.656,40 4.522,41 4.675,42 6.422,43 4.54,44 5.504,45 5.756,46 4.431,47 4.658,48 6.442,49 4.508,50 5.445,51 5.697,52 4.355,53 4.548,54 6.446,55 4.392,56 0.097,57 0.916,58 16.083,59 6.96,60 21.508,61 8.475,62 0.403,63 1.522,64 27.942,65 12.122,66 82.109,67 15.442,68 0.352,69 1.99,70 44.642,71 17.042,72 74.968,73 21.225,74 0.46,75 2.181,76 51.246,77 18.844,78 90.314,79 23.177,80 0.436,81 2.292,82 51.113,83 19.682,84 91.14,85 24.881,86 0.522,87 2.519,88 55.693,89 21.784,90 101.688,91 28.921,92 0.552,93 2.672,94 61.205,95 22.891,96 113.389,97 30.425,98 0.744,99 2.499,100 63.852,101 21.456,102 142.369,103 27.211,104 46,105 55,106 0.254,107 0.56,108 0.761,109 0.873,110 0.882,111 0.882,112 3.616,113 1.09,114 -5.18,115 -5.07,116 -4.75,118 41.8,119 1,120 8,126 1,140 7,141 6,142 2,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 3,180 28,181 1,186 7,191 5,194 32,195 1,198 10,203 5,206 28,207 2,210 8,215 4,218 28,219 4,222 13,227 8,229 24,230 5,234 13,239 8,242 18,243 2,247 11,252 4,253 1,255 14,256 1,259 8,260 1,262 2,263 1,264 3,267 13,268 1,270 2546,271 23.979,272 23.979,273 23.979,274 23.979,275 23.979,276 21.23,277 22.938,278 14.275,279 24.358,280 19.257,281 19.257,282 19.257,283 19.257,284 19.257,285 15.01,286 21.239,287 6.76,288 19.935,289 4.451,290 2.504,291 1.23,292 0.519,293 0.459,294 0.459,295 4.308,297 1,300 1,301 955,302 4.416,306 447.873,310 171.278,313 1.832,314 47.329,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 77.333,326 451,327 4.852,328 4.686,329 7.308,330 4.318,331 3.395,332 4.7,333 2.341,334 12.509,335 3.24,336 4.579,337 3.606,338 6.835,339 4.228,340 3.233,341 4.293,342 0.68,343 11.377,344 3.082,345 3.952,346 3.454,347 6.025,348 3.65,349 2.658,350 3.467,352 8.604,353 2.637,354 3.842,355 2.955,356 5.556,357 3.477,358 2.492,359 3.396,361 7.423,362 2.456,363 3.758,364 2.898,365 5.326,366 3.313,367 2.391,368 3.118,370 6.698,371 2.226,372 3.567,373 2.719,374 5.179,375 3.242,376 2.24,377 2.783,379 6.314,380 2.183,381 3.405,382 2.375,383 5.051,384 3.088,385 2.109,386 2.63,388 6.011,389 2.045,390 3.202,391 2.217,392 4.646,393 2.954,394 1.968,395 2.346,397 5.109,398 1.923,399 3.021,400 1.731,401 4.618,402 2.511,403 1.562,404 2.128,406 4.557,407 1.446,408 2.885,409 1.681,410 4.099,411 2.459,412 1.485,413 2.043,415 3.41,416 1.413,417 2.5,418 1.613,419 3.841,420 2.275,421 1.283,422 1.5,424 2.954,425 1.271,426 2.5,427 1.404,428 3.564,429 2.175,430 1.178,431 1.5,433 2.764,434 1.172,435 2.381,436 1,437 3.414,438 2,439 1,440 1.374,442 2.275,443 1,444 2.253,445 1,446 3.247,447 1.956,448 1,449 1.234,451 2.136,452 0.953,453 1.809,454 0.993,455 3.233,456 1.659,457 0.657,458 0.72,460 1.298,461 0.654,462 17.681,463 0.491,464 0.995,465 0.028,466 44,467 1.222,468 22.5,469 0.625,470 21.5,471 0.597,472 39.11,473 1.086,474 39.319,475 0.587,476 35.908,477 0.997,478 7.992,479 0.222,480 9.272,481 0.258,482 0.144,483 0.047,484 0.283,487 0.567,488 1.18,489 0.747,490 1.1,491 0.657,492 0.945,493 0.447,494 1.077,495 0.767,496 0.974,497 0.42,498 0.99,499 0.858,500 1.052,501 1.006,502 1.04,503 0.803,504 1.023,505 0.968,506 1.064,507 1.089,508 1.118,509 0.947,510 1.067,511 0.864,512 1.082,513 0.781,514 1.007,515 0.975,516 1.076,517 0.541,518 1.092,519 0.693,520 1.021,521 0.599,522 1.056,523 0.802,524 0.999,525 0.701,526 0.894,527 0.809,528 0.971,529 1.138,530 0.979,531 0.925,532 0.928,533 1.11,534 0.955,535 8.5,536 0.334,537 4.222,538 2.688,539 2.302,540 1.618,541 1.155,542 0.804,543 0.639,544 0.419,545 17885,546 53855,547 2.033,548 46.3,549 13,550 8,552 2,553 2,554 2,555 4,558 1.781,559 1.886,560 3.558,561 0.148,567 108.242,568 1.616,569 3.563,570 4.837,571 5.547,572 5.607,573 5.607,574 3.013,575 4.538,576 5.137,577 3.753,578 2364.23,579 9.073,580 37188.8,585 406.428,586 1.574,587 5.086,588 0.218,589 0.008,590 0.077,591 0.046,592 0.04,593 0.027,594 0.018,595 0.014,596 0.013,597 0.01,598 0.469,599 0.17,600 0.88,601 1.181,602 194.581,603 0.045,604 -0.013,605 0.126,606 0.001,607 -0.09,608 0.052,609 0.261,610 0.013,611 0.047,612 0.018,613 0.27,614 -0.01,615 -0.078,616 -0.014,617 -0.053,618 -0.01,619 -0.042,620 -0.023,621 -0.111,622 -0.029,623 -0.134,624 -0.076,625 -0.059,626 -0.073,627 -0.066,628 -0.084,629 -0.02,630 -0.052,631 -0.079,632 -0.091,633 0.137,634 -0.129,635 0.074,636 -0.099,637 0.092,638 -0.055,639 -0.008,640 -0.049,641 0.064,642 0.006,643 -0.025,644 0.016,645 -0.112,646 -0.007,647 -0.009,648 0.027,649 -0.107,650 0.018,651 4.598,652 5.989,653 0.611,654 42.389,655 1.002,656 1.118,657 3.949,658 15.592,659 0.683,660 3.689,661 4.025,662 4.263,663 4.543,664 4.828,665 4.97,666 5.118,667 5.293,668 5.434,669 5.509,670 7.41,671 0.639,672 527.13,673 3.689,674 5.242,675 6.084,676 6.974,677 7.844,678 8.744,679 9.626,680 10.531,681 11.42,682 12.328,683 3,685 1,693 1,699 9,700 1,704 8,706 18,723 1,724 67,726 21,727 2,728 39,730 70,731 28,733 17,734 7,735 5,739 4,740 5,741 1,745 1,748 4,751 9,753 18,754 10,756 3,760 1,761 3,765 1,772 31,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,836 1,837 1,840 36,844 1,845 1,846 8,847 1,850 1,861 1,862 6,864 1,865 3,869 19.083,870 12.043,871 7.903,872 4.302,874 2.865,875 1.355,876 0.969,877 8.585,878 10.941,879 3.951,880 4.559,881 5.035,882 5.567,883 6.102,884 6.336,885 6.617,886 6.929,887 7.28,888 7.568,889 1,890 58,891 13.656,893 6.113,894 7.885,895 25.73,897 21.815,899 2.385,900 85.861,904 341.362,905 144.412,906 33.191,907 39.149,908 112.141,910 5.807,911 138.605,912 492.652,913 33.191,914 8.825,915 20.276,916 88.546,917 153.379,918 42.26,920 317.82,921 39.149,922 341.362,923 171.795,924 112.141,925 44.956,927 294.278,928 159.226,931 63.601,932 91.408,933 61.742,935 341.362,936 145.332,937 183.561,939 5.807,940 341.362,941 45.351,942 93.254,943 16.405,944 168.075,945 341.362,946 145.332,947 183.561,949 0.58,950 0.322,951 0.175,952 0.107,953 25,954 12,955 0.143,956 10,957 1,958 1.091,959 4.448,960 349.953,961 0.091,962 22,963 180.117,967 1,968 26.503,969 11.662,970 6.616,972 145.332,973 15.932,974 4.25,978 7.603,980 59.088,981 670.254,982 51,986 -3.681,987 37.435,991 -0.812,994 67.167,995 74.926,996 0.266,997 0.587,998 0.797,999 0.914,1000 0.924,1001 0.924,1002 5.201,1003 1.968,1004 6.098,1005 6.011,1006 4.71,1007 5.247,1008 2.35,1009 6.944,1010 4.646,1011 6.429,1012 1.562,1013 7.682,1014 5.109,1015 4.443,1016 5.293,1017 2.243,1018 8.095,1019 4.295,1020 7.771,1021 1.485,1022 9.379,1023 4.557,1024 6.368,1025 7.513,1026 3.64,1027 11.156,1028 6.233,1029 9.152,1030 1.283,1031 11.147,1032 3.41,1033 6.909,1034 8.374,1035 4.112,1036 13.155,1037 6.684,1038 10.571,1039 1.178,1040 12.964,1041 2.954,1042 8.356,1043 10.144,1044 5.203,1045 15.814,1046 8.132,1047 12.017,1048 1,1049 14.816,1050 2.764,1051 9.263,1052 11.364,1053 5.889,1054 18.132,1055 8.955,1056 13.486,1057 1,1058 16.693,1059 2.275,1060 10.54,1061 12.977,1062 6.849,1063 20.677,1064 10.213,1065 3.395,1066 0.657,1067 18.591,1068 2.136,1069 11.613,1070 14.362,1071 7.625,1072 23.111,1073 11.214,1074 3.233,1075 12.509,1076 20.504,1077 1.298,1078 12.831,1079 15.917,1080 8.526,1081 25.625,1082 12.4,1083 2.658,1084 11.377,1085 22.43,1086 4.7,1087 13.978,1088 17.378,1089 9.342,1090 28.103,1091 13.484,1092 2.492,1093 8.604,1094 24.365,1095 4.293,1096 15.181,1097 18.913,1098 10.216,1099 30.61,1100 14.645,1101 2.391,1102 7.423,1103 26.308,1104 3.467,1105 16.359,1106 20.411,1107 11.051,1108 33.105,1109 15.768,1110 2.24,1111 6.698,1112 28.258,1113 3.396,1114 17.56,1115 21.941,1116 11.912,1117 35.612,1118 16.922,1119 2.109,1120 6.314,1121 30.212,1122 3.118,1123 18.753,1124 23.456,1125 12.755,1126 38.115,1127 18.064,1128 17367,1129 30382,1130 25.542,1131 45.756,1132 58.016,1133 60.069,1134 59.874,1135 58.091,1136 57.821,1137 75.045,1138 6.042,1139 168.1,1140 55.915,1141 5.8,1142 6.686,1143 7.11,1144 5.373,1145 5.395,1146 7.7,1147 3.925,1148 20.063,1149 5.24,1150 20.052,1151 1.488,1152 1.54,1153 1.535,1154 1.49,1155 1.483,1156 1.924,1157 0.155,1158 4.31,1159 1.434,1160 4.124,1161 4.134,1162 4.737,1163 4.092,1164 7.717,1165 4.048,1166 4.019,1167 4.01,1168 4.016,1169 3.997,1170 7.474,1171 3.946,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.758,1178 3.704,1179 3.745,1180 3.782,1181 3.61,1182 6.351,1183 3.577,1184 3.587,1185 3.63,1186 3.53,1187 3.485,1188 4.932,1189 3.428,1190 3.572,1191 3.577,1192 3.466,1193 3.41,1194 4.899,1195 3.413,1196 3.413,1197 3.456,1198 3.261,1199 3.29,1200 4.662,1201 3.266,1202 3.169,1203 3.209,1204 3.158,1205 3.002,1206 4.268,1207 3.004,1208 0.124,1209 0.12,1210 0.187,1211 0.111,1212 0.087,1213 4.852,1214 0.121,1215 4.686,1216 0.06,1217 7.308,1218 0.321,1219 4.318,1220 0.083,1221 3.395,1222 4.7,1223 2.341,1224 12.509,1225 3.24,1226 2.061,1227 2.041,1228 2.164,1229 2.133,1230 1.501,1231 2.151,1232 1.949,1233 1.957,1234 1.975,1235 2.011,1236 1.272,1237 2.048,1238 1.835,1239 1.798,1240 1.95,1241 1.952,1242 1.143,1243 1.96,1244 1.688,1245 1.64,1246 1.918,1247 1.841,1248 1.098,1249 1.869,1250 1.562,1251 1.51,1252 1.812,1253 1.768,1254 1.088,1255 1.782,1256 1.471,1257 1.462,1258 1.664,1259 1.643,1260 0.834,1261 1.663,1262 1.367,1263 1.351,1264 1.457,1265 1.517,1266 0.757,1267 1.562,1268 1.13,1269 1.086,1270 1.363,1271 1.341,1272 0.58,1273 1.365,1274 4.369,1276 5.7,1278 7.226,1280 8.847,1282 10.522,1284 2.135,1285 5.922,1289 9.406,1290 5.037,1291 2.876,1294 -0.242,1300 42.819,1301 108.242,1302 238.689,1303 324.047,1304 371.673,1305 375.673,1306 375.673,1307 96.491,1308 8.077,1309 96.36,1310 104.74,1311 24,1312 12.849,1313 4.459,1314 3.7,1315 61.711,1316 157,1317 186,1318 0.189,1319 269.546,1320 475.3,1321 649.452,1322 35385,1323 1.5,1324 25.709,1325 0.714,1326 0.609,1327 26.459,1328 21.908,1329 17.263,1330 0.443,1331 0.363,1332 12.374,1333 15.795,1334 11.902,1335 9.843,1336 18.373,1337 14.166,1338 16.076,1339 0.292,1340 0.209,1341 17.784,1342 11.478,1343 12.457,1344 0.178,1345 0.121,1346 13.85,1347 8.502,1348 10.447,1349 0.112,1350 0.07,1351 11.636,1352 6.508,1353 8.816,1354 0.071,1355 0.041,1356 9.925,1357 5.133,1358 0.293,1359 118.001,1360 0.198,1361 32.631,1362 0.53,1363 188,1364 536.398,1365 252.244,1366 572.496,1367 755.74,1368 526,1369 219,1370 490.464,1371 283.977,1372 545.373,1373 789.63,1374 512,1375 6.194} {0 CHEMBL28642,1 1.708,2 19.453,3 5.433,4 29.512,5 202.929,6 8.268,7 0.475,8 4.618,9 4.722,10 4.3,11 4.192,12 5.738,13 4.167,14 5.17,15 5.329,16 4.696,17 4.598,18 6.272,19 4.551,20 5.412,21 5.594,22 4.837,23 4.775,24 6.463,25 4.71,26 5.507,27 5.678,28 4.928,29 4.834,30 6.641,31 4.767,32 5.511,33 5.671,34 4.9,35 4.862,36 6.651,37 4.796,38 5.641,39 5.845,40 4.934,41 4.936,42 6.674,43 4.838,44 5.644,45 5.855,46 4.807,47 4.891,48 6.714,49 4.773,50 5.636,51 5.891,52 4.674,53 4.759,54 6.607,55 4.638,56 0.142,57 1.346,58 16.223,59 8.368,60 14.499,61 10.11,62 0.707,63 2.219,64 35.342,65 14.201,66 55.137,67 17.638,68 0.692,69 2.739,70 51.426,71 18.936,72 72.067,73 22.964,74 0.99,75 2.952,76 59.798,77 20.525,78 110.582,79 23.721,80 0.891,81 2.977,82 59.762,83 21.578,84 107.361,85 24.528,86 1.041,87 3.276,88 69.575,89 24.227,90 102.024,91 30.443,92 1.133,93 3.279,94 68.172,95 24.93,96 138.331,97 32.154,98 1.186,99 3.062,100 75.067,101 24.313,102 111.29,103 32.58,104 45,105 83,106 0.249,107 0.589,108 0.808,109 0.886,110 0.902,111 0.902,112 3.991,113 0.954,114 -6.14,115 -5.98,116 -5.56,118 42.9,119 2,120 4,124 6,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,155 1,157 2,162 2,168 16,171 6,172 16,180 19,185 2,186 18,194 13,197 2,198 30,206 17,209 2,210 22,218 18,221 4,222 19,229 22,233 7,234 12,242 15,246 5,247 19,255 14,258 6,259 17,267 9,270 6920,271 36.335,272 36.335,273 36.335,274 36.335,275 36.335,276 32.038,277 40.197,278 21.588,279 37.398,280 29.112,281 29.112,282 29.112,283 29.112,284 29.112,285 22.506,286 48.947,287 10.171,288 30.758,289 4.8,290 2.466,291 0.97,292 0.429,293 0.324,294 0.324,295 4.707,297 1,301 2272,302 5.196,305 207.927,306 630.847,307 153.879,309 172.522,310 432.628,313 2.914,314 60.501,317 0.25,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.41,325 114.833,326 1031,327 4.761,328 3.789,329 7.162,330 4.356,331 3.413,332 4.506,333 2.443,334 12.584,335 3.229,336 4.561,337 3.682,338 6.753,339 4.105,340 3.128,341 4.292,342 2.226,343 11.009,344 3.057,345 4.348,346 3.67,347 6.62,348 3.921,349 2.986,350 3.992,351 1.926,352 10.505,353 2.775,354 4.221,355 3.57,356 6.341,357 3.848,358 2.908,359 3.824,360 0.908,361 9.586,362 2.721,363 3.975,364 3.207,365 6.019,366 3.615,367 2.675,368 3.528,369 0.795,370 8.524,371 2.525,372 3.881,373 3.097,374 5.548,375 3.497,376 2.515,377 3.195,378 0.648,379 7.357,380 2.439,381 3.687,382 2.838,383 5.494,384 3.352,385 2.374,386 3.109,387 0.286,388 6.831,389 2.299,390 3.651,391 2.654,392 5.18,393 3.148,394 2.184,395 2.87,396 0.077,397 6.075,398 2.104,399 3.56,400 2.564,401 5.117,402 3.085,403 2.154,404 2.825,406 6.009,407 1.984,408 3.291,409 2.376,410 5.029,411 2.915,412 1.976,413 2.511,415 5.98,416 1.871,417 3.252,418 2.147,419 4.909,420 2.878,421 1.911,422 2.47,424 5.411,425 1.819,426 3.106,427 2.101,428 4.886,429 2.701,430 1.781,431 2.286,433 5.144,434 1.625,435 2.88,436 1.984,437 4.66,438 2.489,439 1.546,440 2.032,442 4.526,443 1.459,444 2.873,445 1.847,446 4.162,447 2.473,448 1.512,449 2.018,451 3.693,452 1.43,453 2.847,454 1.824,455 4.032,456 2.35,457 1.414,458 1.958,460 3.235,461 1.292,462 25.514,463 0.481,464 1.199,465 0.023,466 68.5,467 1.292,468 33.5,469 0.632,470 35,471 0.66,472 59.239,473 1.118,474 56.086,475 0.616,476 63.696,477 1.202,478 13.356,479 0.252,480 12.461,481 0.235,482 0.106,484 0.341,487 0.631,488 1.274,489 0.646,490 1.003,491 0.517,492 0.925,493 0.748,494 1.029,495 0.739,496 0.859,497 0.556,498 0.855,499 1.04,500 1.038,501 0.935,502 0.944,503 0.919,504 0.89,505 1.363,506 1.064,507 1.109,508 1.025,509 1.394,510 0.959,511 1.253,512 1.17,513 1.188,514 1.187,515 1.389,516 1.062,517 0.933,518 0.995,519 0.954,520 0.961,521 0.995,522 1.017,523 0.693,524 1.144,525 1.049,526 1.172,527 0.723,528 1.184,529 0.824,530 0.861,531 0.91,532 0.914,533 0.703,534 0.939,535 8.5,536 0.337,537 6,538 4.639,539 2.829,540 2.157,541 1.502,542 0.852,543 0.804,544 0.574,545 61339,546 174986,547 2.122,548 41.8,549 2,550 22,552 2,554 5,555 7,558 1.864,559 2,560 4.13,561 -0.732,567 155.396,568 1.708,569 4.041,570 5.538,571 6.079,572 6.184,573 6.184,574 3.596,575 5.577,576 5.699,577 4.39,578 6050,579 10.15,580 132483,585 592.209,586 1.361,587 5.666,588 0.144,589 0.005,590 0.072,591 0.05,592 0.029,593 0.022,594 0.016,595 0.01,596 0.011,597 0.008,598 0.367,599 0.17,600 0.38,601 1.328,602 327.54,603 0.057,604 -0.132,605 0.059,606 -0.04,607 0.011,608 -0.011,609 0.135,610 0.065,611 0.095,612 0.106,613 0.082,614 0.078,615 -0.099,616 0.021,617 0.036,618 0.071,619 -0.068,620 0.073,621 -0.183,622 -0.01,623 -0.042,624 0.028,625 -0.14,626 -0.01,627 -0.163,628 -0.108,629 -0.156,630 -0.114,631 -0.14,632 -0.107,633 -0.029,634 0.01,635 0.016,636 0.014,637 -0.07,638 -0.031,639 0.135,640 -0.153,641 -0.082,642 -0.178,643 0.094,644 -0.18,645 0.086,646 0.068,647 0.096,648 0.042,649 0.057,650 0.089,651 2.089,652 6.543,653 0.66,654 81.391,655 1.01,656 1.121,657 4.906,658 24.066,659 0.692,660 4.094,661 4.431,662 4.754,663 5.075,664 5.333,665 5.533,666 5.778,667 5.991,668 6.157,669 6.269,670 11.085,671 0.661,672 752.36,673 4.094,674 5.652,675 6.524,676 7.42,677 8.314,678 9.223,679 10.129,680 11.047,681 11.963,682 12.887,683 7.7,690 1,691 1,692 1,693 3,697 1,699 12,700 3,703 1,704 11,705 1,706 28,708 1,723 1,724 91,726 33,727 2,728 59,730 97,731 39,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 2,748 1,751 4,753 27,754 12,756 5,759 1,761 3,764 1,765 4,772 38,773 10,775 14,776 2,779 7,784 0.571,785 5,795 1,801 2,802 4,803 1,805 1,806 2,819 1,829 1,832 4,834 1,836 2,837 1,840 53,846 10,848 2,851 1,856 1,859 1,861 1,862 5.5,865 3,867 2,869 26.5,870 17.293,871 11.694,872 5.778,874 5.416,875 1.537,876 0.997,877 11.639,878 15.511,879 4.369,880 4.977,881 5.57,882 6.186,883 6.682,884 7.057,885 7.533,886 7.967,887 8.325,888 8.629,889 0.923,890 93,891 19.716,893 8.51,894 7.763,895 37.549,897 31.149,899 2.263,900 119.944,904 447.302,905 238.556,906 75.092,907 39.149,908 97.663,910 31.278,911 207.279,912 584.114,913 75.092,914 17.65,915 34.042,916 94.762,917 166.678,918 82.323,919 8.121,920 455.037,921 39.149,922 447.302,923 282.371,924 97.663,925 70.426,927 368.076,928 180.061,931 90.885,932 138.202,933 89.26,934 31.278,935 447.302,936 172.756,937 277.705,940 447.302,941 108.049,942 138.703,944 203.709,945 447.302,946 172.756,947 277.705,949 0.578,950 0.345,951 0.194,952 0.104,953 39,954 18,955 0.134,956 13,957 3,958 1.171,959 5.847,960 608.862,961 0.171,962 35,963 303.58,964 1,968 36.91,969 16.713,970 8.081,972 167.684,973 22.048,974 12.947,977 1.613,978 9.255,979 2.06,981 897.762,982 78,985 0.938,987 38.799,990 4.994,991 0.583,994 91.887,995 102.042,996 0.262,997 0.621,998 0.851,999 0.934,1000 0.95,1001 0.95,1002 5.62,1003 2.184,1004 6.509,1005 6.831,1006 5.118,1007 5.666,1008 3.371,1009 7.358,1010 5.012,1011 6.831,1012 2.154,1013 8.087,1014 6.075,1015 4.691,1016 5.485,1017 2.949,1018 8.35,1019 4.527,1020 8.15,1021 1.976,1022 9.77,1023 6.009,1024 6.737,1025 7.874,1026 4.614,1027 11.514,1028 6.535,1029 9.507,1030 1.911,1031 11.519,1032 5.98,1033 7.179,1034 8.554,1035 4.872,1036 13.397,1037 6.914,1038 10.9,1039 1.781,1040 13.311,1041 5.411,1042 8.67,1043 10.397,1044 6.113,1045 16.085,1046 8.372,1047 12.319,1048 1.546,1049 15.134,1050 5.144,1051 9.512,1052 11.48,1053 6.66,1054 18.326,1055 9.151,1056 13.759,1057 1.512,1058 16.98,1059 4.526,1060 10.795,1061 13.104,1062 7.716,1063 20.868,1064 10.397,1065 3.413,1066 1.414,1067 18.843,1068 3.693,1069 11.823,1070 14.384,1071 8.409,1072 23.257,1073 11.366,1074 3.128,1075 12.584,1076 20.72,1077 3.235,1078 13.03,1079 15.916,1080 9.375,1081 25.759,1082 12.533,1083 2.986,1084 11.009,1085 22.608,1086 4.506,1087 14.144,1088 17.293,1089 10.148,1090 28.21,1091 13.59,1092 2.908,1093 10.505,1094 24.505,1095 4.292,1096 15.33,1097 18.787,1098 11.068,1099 30.706,1100 14.731,1101 2.675,1102 9.586,1103 26.41,1104 3.992,1105 16.484,1106 20.213,1107 11.887,1108 33.187,1109 15.832,1110 2.515,1111 8.524,1112 28.321,1113 3.824,1114 17.668,1115 21.694,1116 12.785,1117 35.688,1118 16.968,1119 2.374,1120 7.357,1121 30.237,1122 3.528,1123 18.843,1124 23.145,1125 13.631,1126 38.185,1127 18.091,1128 57018,1129 96535,1130 39.876,1131 63,1132 89.481,1133 91.443,1134 91.98,1135 88.609,1136 88.398,1137 115.472,1138 18.614,1139 257.08,1140 83.608,1141 5.709,1142 5.789,1143 6.964,1144 5.525,1145 5.413,1146 7.506,1147 4.192,1148 20.258,1149 5.229,1150 26.304,1151 1.517,1152 1.55,1153 1.559,1154 1.502,1155 1.498,1156 1.957,1157 0.315,1158 4.357,1159 1.417,1160 4.133,1161 4.165,1162 4.328,1163 4.081,1164 7.468,1165 4.052,1166 4.048,1167 4.081,1168 4.024,1169 3.948,1170 7.434,1171 3.953,1172 3.872,1173 3.9,1174 3.992,1175 3.827,1176 7.43,1177 3.809,1178 3.833,1179 3.879,1180 3.807,1181 3.725,1182 5.099,1183 3.727,1184 3.801,1185 3.845,1186 3.754,1187 3.614,1188 4.943,1189 3.643,1190 3.754,1191 3.801,1192 3.651,1193 3.593,1194 4.906,1195 3.594,1196 3.621,1197 3.658,1198 3.566,1199 3.363,1200 4.736,1201 3.396,1202 3.49,1203 3.519,1204 3.512,1205 3.287,1206 4.615,1207 3.305,1208 0.081,1209 0.064,1210 0.121,1211 0.074,1212 0.058,1213 4.761,1214 0.076,1215 3.789,1216 0.041,1217 7.162,1218 0.213,1219 4.356,1220 0.055,1221 3.413,1222 4.506,1223 2.443,1224 12.584,1225 3.229,1226 1.992,1227 1.965,1228 2.083,1229 2.135,1230 1.318,1231 2.113,1232 1.921,1233 1.901,1234 2.002,1235 2.002,1236 1.285,1237 2.006,1238 1.807,1239 1.773,1240 1.964,1241 1.95,1242 1.187,1243 1.953,1244 1.782,1245 1.745,1246 1.928,1247 1.913,1248 1.097,1249 1.926,1250 1.725,1251 1.674,1252 1.907,1253 1.897,1254 0.984,1255 1.903,1256 1.641,1257 1.603,1258 1.803,1259 1.823,1260 0.964,1261 1.812,1262 1.514,1263 1.463,1264 1.758,1265 1.788,1266 0.939,1267 1.779,1268 1.469,1269 1.419,1270 1.63,1271 1.676,1272 0.819,1273 1.665,1274 4.779,1276 6.111,1277 3.045,1278 7.635,1279 5.533,1280 9.25,1281 7.735,1282 10.918,1284 3.699,1285 6.694,1290 3.727,1292 10.868,1295 1.719,1300 60.167,1301 155.396,1302 367.759,1303 503.97,1304 553.19,1305 562.7,1306 562.7,1307 115.707,1308 10.095,1309 140.55,1310 168.79,1311 41,1312 13.395,1313 5.087,1314 4.322,1315 79.968,1316 362,1317 421,1318 0.106,1319 370.357,1320 652.03,1321 895.432,1322 481209,1323 1.1,1324 36.898,1325 0.696,1326 0.585,1327 37.752,1328 31.03,1329 25.817,1330 0.438,1331 0.318,1332 17.417,1333 24.06,1334 16.916,1335 13.93,1336 26.514,1337 18.756,1338 23.011,1339 0.277,1340 0.171,1341 23.998,1342 14.199,1343 19.869,1344 0.173,1345 0.093,1346 21.022,1347 10.712,1348 17.306,1349 0.109,1350 0.053,1351 18.714,1352 8.35,1353 14.017,1354 0.068,1355 0.029,1356 15.372,1357 5.965,1358 0.172,1359 169.305,1360 0.158,1361 45.222,1362 0.278,1363 284,1364 875.257,1365 353.996,1366 885.911,1367 1204.08,1368 830,1369 340,1370 854.608,1371 406.015,1372 881.013,1373 1299.46,1374 830,1375 7.208} {0 CHEMBL287720,1 1.407,2 18.174,3 6.622,4 43.858,5 176.582,6 7.315,7 0.46,8 4.521,9 4.618,10 4.055,11 4.087,12 5.653,13 4.06,14 5.054,15 5.194,16 4.396,17 4.482,18 6.224,19 4.425,20 5.361,21 5.556,22 4.472,23 4.65,24 6.36,25 4.564,26 5.453,27 5.66,28 4.475,29 4.673,30 6.454,31 4.581,32 5.447,33 5.65,34 4.516,35 4.724,36 6.416,37 4.629,38 5.535,39 5.751,40 4.531,41 4.773,42 6.513,43 4.665,44 5.54,45 5.766,46 4.482,47 4.771,48 6.466,49 4.65,50 5.488,51 5.714,52 4.461,53 4.727,54 6.44,55 4.608,56 0.071,57 1.07,58 17.467,59 8.614,60 22.947,61 10.495,62 0.481,63 1.768,64 32.167,65 14.36,66 82.097,67 18.17,68 0.417,69 2.323,70 46.943,71 19.44,72 92,73 25.238,74 0.753,75 2.48,76 53.452,77 20.767,78 113.854,79 26.867,80 0.475,81 2.538,82 51.526,83 21.2,84 91.698,85 27.76,86 0.681,87 2.764,88 57.396,89 22.869,90 114.06,91 30.369,92 0.606,93 2.777,94 58.048,95 23.222,96 101.561,97 31.121,98 0.44,99 2.659,100 54.473,101 22.243,102 86.105,103 30.028,104 50,105 67,106 0.21,107 0.543,108 0.749,109 0.892,110 0.924,111 0.928,112 3.853,113 0.94,114 -5.52,115 -5.4,116 -5.04,118 44.7,120 7,121 1,124 1,126 1,127 1,133 3,134 1,140 12,141 6,142 1,143 2,154 2,163 2,167 2,168 29,169 2,171 1,172 9,175 2,177 4,180 34,181 2,186 11,191 4,194 33,195 2,198 13,201 1,203 4,206 31,207 2,210 13,215 3,218 33,219 2,222 13,225 1,227 4,229 35,230 2,234 10,239 5,242 37,243 2,247 7,248 2,252 5,255 34,256 4,258 2,259 9,260 1,262 2,264 7,267 28,268 4,270 5156,271 31.31,272 31.31,273 31.31,274 31.31,275 31.31,276 27.733,277 22.847,278 19.12,279 31.506,280 24.756,281 24.756,282 24.756,283 24.756,284 24.756,285 19.487,286 20.252,287 9.172,288 25.095,289 5.002,290 2.766,291 1.385,292 0.424,293 0.212,294 0.188,295 4.558,301 1776,302 4.899,306 781.131,310 239.115,313 2.783,314 51.996,317 0.5,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.6,325 99.5,326 836,327 4.509,328 3.609,329 6.682,330 4.127,331 3.15,332 4.403,333 2.341,334 10.79,335 3.096,336 4.333,337 3.597,338 6.526,339 4.065,340 3.072,341 3.859,342 2.341,343 10.297,344 3.028,345 4.266,346 3.596,347 6.262,348 3.881,349 2.884,350 3.845,351 1.902,352 9.466,353 2.873,354 3.903,355 3.218,356 5.987,357 3.607,358 2.62,359 3.292,360 0.869,361 8.524,362 2.588,363 3.633,364 3.063,365 5.652,366 3.382,367 2.397,368 2.987,369 0.22,370 7.365,371 2.357,372 3.561,373 2.785,374 5.202,375 3.24,376 2.235,377 2.748,379 6.229,380 2.222,381 3.55,382 2.585,383 4.66,384 3.237,385 2.232,386 2.71,388 5.184,389 2.218,390 3.527,391 2.173,392 4.659,393 3.111,394 2.124,395 2.704,397 5.184,398 2.097,399 3.128,400 2.152,401 4.571,402 2.709,403 1.724,404 2.427,406 4.591,407 1.697,408 3.118,409 1.988,410 4.482,411 2.678,412 1.687,413 2.252,415 4.426,416 1.665,417 3.058,418 1.92,419 4.317,420 2.618,421 1.618,422 2.199,424 4.052,425 1.618,426 2.872,427 1.739,428 4.144,429 2.493,430 1.521,431 2.023,433 3.783,434 1.474,435 2.815,436 1.618,437 3.813,438 2.452,439 1.47,440 1.895,442 3.164,443 1.44,444 2.756,445 1.534,446 3.636,447 2.391,448 1.414,449 1.796,451 3.114,452 1.374,453 2.642,454 1.493,455 3.631,456 2.367,457 1.38,458 1.652,460 3.032,461 1.359,462 21.733,463 0.472,464 0.959,465 0.021,466 55.75,467 1.212,468 28,469 0.609,470 27.75,471 0.603,472 47.206,473 1.026,474 49.667,475 0.584,476 51.391,477 1.117,478 11.061,479 0.24,480 11.324,481 0.246,482 0.077,484 0.299,487 0.824,488 1.073,489 0.826,490 1.025,491 0.777,492 0.943,493 0.698,494 1.099,495 0.949,496 1.099,497 0.471,498 1.072,499 0.909,500 1.041,501 0.97,502 1.045,503 0.845,504 1.024,505 1.089,506 0.938,507 1.026,508 0.946,509 0.804,510 0.972,511 0.881,512 1.043,513 0.987,514 1.041,515 0.685,516 1.036,517 0.85,518 1.002,519 1.008,520 1.008,521 0.697,522 1.03,523 0.82,524 0.974,525 0.997,526 0.982,527 0.626,528 1.015,529 0.697,530 1.053,531 0.952,532 1.058,533 0.653,534 1.051,535 7.5,536 0.371,537 4.667,538 2.375,539 2.173,540 1.451,541 0.986,542 0.634,543 0.717,544 0.499,545 40314,546 113921,547 2.08,548 45.9,549 10,550 18,551 1,552 2,553 3,554 4,556 1,558 1.834,559 1.971,560 4.083,561 0.626,567 119.595,568 1.407,569 3.644,570 5.024,571 5.986,572 6.198,573 6.221,574 3.596,575 5.219,576 5.486,577 4.303,578 4453.76,579 9.743,580 89209.7,585 544.798,586 1.299,587 5.466,588 0.15,589 0.006,590 0.07,591 0.033,592 0.031,593 0.02,594 0.013,595 0.009,596 0.01,597 0.007,598 0.35,599 0.17,600 0.5,601 1.648,602 274.194,603 -0.064,604 0.03,605 0.019,606 0.052,607 -0.08,608 0.05,609 0.141,610 -0.036,611 -0.053,612 -0.056,613 0.163,614 -0.083,615 -0.061,616 -0.035,617 -0.025,618 -0.029,619 -0.068,620 -0.022,621 -0.077,622 0.047,623 -0.042,624 0.05,625 -0.055,626 0.016,627 -0.063,628 -0.039,629 -0.041,630 -0.028,631 -0.047,632 -0.031,633 -0.031,635 -0.049,636 -0.007,637 -0.028,638 -0.027,639 -0.064,640 0.02,641 -0.041,642 0.02,643 -0.041,644 -0.002,645 -0.012,646 -0.055,647 -0.007,648 -0.05,649 -0.031,650 -0.031,651 2.495,652 4.669,653 0.609,654 77.573,655 1.002,656 1.116,657 4.292,658 18.421,659 0.667,660 3.932,661 4.22,662 4.466,663 4.727,664 5.004,665 5.112,666 5.313,667 5.505,668 5.687,669 5.811,670 10.332,671 0.636,672 621.78,673 3.932,674 5.46,675 6.293,676 7.157,677 8.016,678 8.891,679 9.764,680 10.647,681 11.528,682 12.416,683 1.2,693 1,698 2,699 14,700 1,704 5,706 23,721 1,724 85,726 27,727 3,728 50,730 89,731 38,733 21,734 6,735 10,736 2,739 5,740 6,748 1,749 1,751 8,753 27,754 11,755 1,756 4,761 2,763 3,765 3,772 39,773 8,774 3,775 8,779 1,784 0.8,785 7,795 1,802 5,806 1,818 2,822 3,823 1,830 2,831 2,832 4,840 46,845 3,846 8,848 2,850 3,862 8.2,864 3,865 2,866 2,869 23.333,870 14.633,871 10.278,872 5.2,874 4.017,875 1.45,876 0.939,877 11.744,878 12.937,879 4.197,880 4.741,881 5.264,882 5.822,883 6.407,884 6.694,885 7.17,886 7.624,887 8.066,888 8.355,889 1,890 71,891 17.09,893 7.296,894 7.862,895 32.524,897 26.866,899 2.362,900 108.667,904 423.76,905 205.826,906 16.786,908 200.34,911 205.826,912 624.099,913 16.786,915 22.334,916 142.503,917 242.487,918 39.169,919 11.771,920 388.446,922 423.76,923 222.611,924 200.34,927 411.989,928 190.111,929 22,930 0.36,931 40.429,932 136.609,933 45.214,935 423.76,936 217.125,937 205.826,940 424.119,941 45.228,942 160.239,944 217.125,945 423.76,946 217.125,947 205.826,949 0.568,950 0.315,951 0.17,952 0.096,953 28,954 13,955 0.157,956 14,957 1,958 1.071,959 5.461,960 470.333,961 0.071,962 28,963 254.084,968 33.088,969 16.327,970 9.145,971 2.086,972 217.125,973 27.144,974 4.307,978 3.788,980 128.05,981 846.711,982 65.5,987 21.756,989 5.995,991 -0.544,994 85.181,995 94.853,996 0.22,997 0.568,998 0.784,999 0.934,1000 0.967,1001 0.971,1002 5.419,1003 2.124,1004 6.252,1005 5.184,1006 4.905,1007 5.429,1008 3.261,1009 7.029,1010 4.877,1011 6.598,1012 1.724,1013 7.784,1014 5.184,1015 4.369,1016 5.094,1017 3.038,1018 7.888,1019 4.332,1020 7.881,1021 1.687,1022 9.423,1023 4.591,1024 6.454,1025 7.551,1026 4.544,1027 11.004,1028 6.403,1029 9.198,1030 1.618,1031 11.127,1032 4.426,1033 6.77,1034 8.069,1035 4.929,1036 12.743,1037 6.707,1038 10.548,1039 1.521,1040 12.877,1041 4.052,1042 8.294,1043 9.991,1044 6.044,1045 15.361,1046 8.218,1047 11.923,1048 1.47,1049 14.657,1050 3.783,1051 9.024,1052 10.944,1053 6.678,1054 17.45,1055 8.934,1056 13.318,1057 1.414,1058 16.459,1059 3.164,1060 10.31,1061 12.622,1062 7.64,1063 19.894,1064 10.206,1065 3.15,1066 1.38,1067 18.277,1068 3.114,1069 11.246,1070 13.811,1071 8.387,1072 22.129,1073 11.126,1074 3.072,1075 10.79,1076 20.108,1077 3.032,1078 12.43,1079 15.371,1080 9.283,1081 24.51,1082 12.296,1083 2.884,1084 10.297,1085 21.947,1086 4.403,1087 13.464,1088 16.687,1089 10.083,1090 26.808,1091 13.314,1092 2.62,1093 9.466,1094 23.794,1095 3.859,1096 14.607,1097 18.191,1098 10.951,1099 29.167,1100 14.443,1101 2.397,1102 8.524,1103 25.646,1104 3.845,1105 15.689,1106 19.575,1107 11.776,1108 31.494,1109 15.508,1110 2.235,1111 7.365,1112 27.503,1113 3.292,1114 16.818,1115 21.054,1116 12.633,1117 33.848,1118 16.621,1119 2.232,1120 6.229,1121 29.364,1122 2.987,1123 17.922,1124 22.475,1125 13.47,1126 36.189,1127 17.709,1128 38750,1129 65227,1130 33.69,1131 56.654,1132 74.229,1133 75.136,1134 74.855,1135 73.355,1136 73.31,1137 94.72,1138 15.345,1139 202.024,1140 72.158,1141 5.509,1142 5.609,1143 6.484,1144 5.199,1145 5.15,1146 7.403,1147 3.925,1148 17.869,1149 5.096,1150 22.864,1151 1.485,1152 1.503,1153 1.497,1154 1.467,1155 1.466,1156 1.894,1157 0.307,1158 4.04,1159 1.443,1160 4.127,1161 4.145,1162 4.081,1163 4.084,1164 7.477,1165 4.08,1166 3.959,1167 3.98,1168 3.898,1169 3.88,1170 7.472,1171 3.88,1172 3.89,1173 3.925,1174 3.832,1175 3.814,1176 6.469,1177 3.814,1178 3.771,1179 3.809,1180 3.668,1181 3.666,1182 6.352,1183 3.659,1184 3.727,1185 3.777,1186 3.607,1187 3.592,1188 6.35,1189 3.585,1190 3.655,1191 3.682,1192 3.561,1193 3.502,1194 4.966,1195 3.508,1196 3.539,1197 3.573,1198 3.452,1199 3.422,1200 4.879,1201 3.421,1202 3.423,1203 3.452,1204 3.322,1205 3.254,1206 4.752,1207 3.26,1208 0.09,1209 0.072,1210 0.134,1211 0.083,1212 0.063,1213 4.509,1214 0.088,1215 3.609,1216 0.047,1217 6.682,1218 0.216,1219 4.127,1220 0.062,1221 3.15,1222 4.403,1223 2.341,1224 10.79,1225 3.096,1226 2.095,1227 2.079,1228 2.17,1229 2.149,1230 1.373,1231 2.156,1232 1.932,1233 1.911,1234 2.055,1235 2.043,1236 1.343,1237 2.045,1238 1.873,1239 1.843,1240 2.006,1241 1.974,1242 1.287,1243 1.983,1244 1.766,1245 1.725,1246 1.949,1247 1.9,1248 1.142,1249 1.917,1250 1.718,1251 1.667,1252 1.921,1253 1.886,1254 1.049,1255 1.902,1256 1.61,1257 1.578,1258 1.808,1259 1.801,1260 1.014,1261 1.799,1262 1.523,1263 1.486,1264 1.696,1265 1.668,1266 0.84,1267 1.675,1268 1.377,1269 1.339,1270 1.597,1271 1.584,1272 0.792,1273 1.581,1274 4.615,1276 5.911,1278 7.401,1280 8.987,1282 10.63,1289 28.544,1290 3.931,1292 12.758,1294 -1.099,1300 54.034,1301 119.595,1302 309.707,1303 427.05,1304 508.798,1305 526.798,1306 528.798,1307 115.129,1308 8.92,1309 126.18,1310 126.18,1311 30,1312 12.948,1313 4.807,1314 4.044,1315 79.361,1316 286,1317 302,1318 0.134,1319 329.169,1320 593.49,1321 794.934,1322 106958,1324 32.305,1325 0.702,1326 0.557,1327 32.305,1328 25.626,1329 22.385,1330 0.448,1331 0.313,1332 15.511,1333 21.714,1334 15.224,1335 12.577,1336 22.385,1337 15.67,1338 19.715,1339 0.294,1340 0.172,1341 19.715,1342 11.501,1343 15.713,1344 0.183,1345 0.095,1346 15.713,1347 8.147,1348 13.037,1349 0.116,1350 0.052,1351 13.037,1352 5.769,1353 11.013,1354 0.074,1355 0.028,1356 11.013,1357 4.144,1358 0.216,1359 139.422,1360 0.172,1361 40.706,1362 0.352,1363 234,1364 691.036,1365 254.319,1366 660.73,1367 881.56,1368 616,1369 270,1370 619.476,1371 287.778,1372 627.129,1373 914.56,1374 591,1375 7.301} {0 CHEMBL28776,1 1.63,2 13.778,3 5.908,4 34.901,5 143.274,6 8.079,7 0.462,8 4.254,9 4.349,10 3.998,11 3.89,12 5.323,13 3.83,14 4.803,15 4.946,16 4.302,17 4.294,18 6.066,19 4.206,20 5.114,21 5.309,22 4.364,23 4.468,24 6.141,25 4.34,26 5.19,27 5.401,28 4.3,29 4.462,30 6.226,31 4.324,32 5.174,33 5.381,34 4.323,35 4.447,36 6.233,37 4.321,38 5.16,39 5.372,40 4.339,41 4.462,42 6.226,43 4.334,44 5.204,45 5.442,46 4.215,47 4.478,48 6.096,49 4.326,50 5.201,51 5.446,52 4.222,53 4.442,54 6.107,55 4.287,56 0.102,57 0.879,58 14.926,59 6.62,60 22.499,61 7.884,62 0.398,63 1.452,64 25.381,65 11.387,66 81.357,67 14.25,68 0.372,69 1.911,70 42.696,71 16.34,72 78.147,73 20.028,74 0.498,75 2.039,76 49.397,77 17.747,78 98.367,79 21.43,80 0.537,81 1.961,82 46.105,83 16.868,84 108.908,85 20.563,86 0.515,87 1.953,88 42.284,89 16.588,90 93.714,91 21.513,92 0.336,93 2.058,94 44.035,95 17.763,96 69.809,97 23.659,98 0.34,99 2.042,100 45.234,101 17.522,102 67.5,103 23.366,104 32,105 54,106 0.257,107 0.592,108 0.778,109 0.88,110 0.892,111 0.892,112 3.616,113 1.067,114 -5.11,115 -5,116 -4.69,118 43.1,120 7,126 1,133 2,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 3,180 27,181 1,186 7,191 5,194 29,195 1,198 10,203 5,206 23,207 1,210 7,215 3,218 25,219 1,222 10,227 4,229 26,230 1,234 8,239 3,242 22,243 2,247 9,252 4,255 18,256 4,259 9,264 6,267 12,268 4,270 2780,271 24.023,272 24.023,273 24.023,274 24.023,275 24.023,276 21.092,277 24.359,278 14.413,279 24.402,280 19.297,281 19.297,282 19.297,283 19.297,284 19.297,285 14.861,286 22.602,287 6.925,288 19.975,289 4.392,290 2.271,291 1.089,292 0.442,293 0.369,294 0.369,295 4.31,297 1,300 1,301 1051,302 4.472,306 453.466,310 174.738,313 2.259,314 44.597,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 77.333,326 496,327 4.852,328 4.686,329 7.308,330 4.315,331 3.394,332 4.7,333 2.341,334 12.509,335 3.167,336 4.505,337 3.596,338 6.708,339 4.15,340 3.153,341 4.199,342 0.68,343 10.909,344 3.073,345 3.931,346 3.339,347 5.813,348 3.611,349 2.62,350 3.457,352 8.096,353 2.596,354 3.84,355 2.913,356 5.392,357 3.395,358 2.435,359 3.395,361 7.014,362 2.357,363 3.671,364 2.893,365 5.247,366 3.288,367 2.349,368 2.994,370 6.448,371 2.221,372 3.551,373 2.548,374 5.064,375 3.238,376 2.233,377 2.712,379 6.067,380 2.156,381 3.225,382 2.219,383 4.726,384 2.976,385 2.005,386 2.44,388 5.185,389 1.928,390 3.209,391 2.048,392 4.659,393 2.822,394 1.825,395 2.348,397 4.954,398 1.819,399 3.022,400 1.918,401 4.598,402 2.584,403 1.583,404 2.135,406 4.542,407 1.581,408 2.898,409 1.707,410 3.939,411 2.509,412 1.56,413 2.017,415 3.462,416 1.414,417 2.859,418 1.525,419 3.605,420 2.39,421 1.422,422 1.918,424 3.053,425 1.372,426 2.5,427 1.304,428 3.523,429 2.078,430 1.079,431 1.5,433 2.569,434 1.076,435 2.5,436 1.026,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.247,445 1,446 3.247,447 1.956,448 1,449 1.18,451 2.136,452 0.954,453 1.983,454 1,455 3.23,456 1.71,457 0.71,458 0.862,460 1.573,461 0.708,462 17.681,463 0.491,464 0.943,465 0.026,466 45.5,467 1.264,468 24,469 0.667,470 21.5,471 0.597,472 34.917,473 0.97,474 38.719,475 0.596,476 37.062,477 1.03,478 8.575,479 0.238,480 8.739,481 0.243,482 0.116,483 0.047,484 0.255,487 0.568,488 1.15,489 0.734,490 1.076,491 0.66,492 0.915,493 0.459,494 1.106,495 0.793,496 1.004,497 0.438,498 1.026,499 0.875,500 1.065,501 1.032,502 1.058,503 0.821,504 1.044,505 1.006,506 1.043,507 1.109,508 1.109,509 1.003,510 1.049,511 1.072,512 0.989,513 0.808,514 0.92,515 1.213,516 0.998,517 0.583,518 1.043,519 0.756,520 0.999,521 0.631,522 1.054,523 0.526,524 1.013,525 0.741,526 0.949,527 0.51,528 1.028,529 0.561,530 1.019,531 0.758,532 0.946,533 0.514,534 1.01,535 8,536 0.301,537 4,538 2.375,539 2.071,540 1.167,541 0.788,542 0.547,543 0.537,544 0.375,545 19705,546 61804,547 2.049,548 44.6,549 8,550 11,552 2,553 2,554 2,555 4,558 1.778,559 1.92,560 3.727,561 0.148,567 105.967,568 1.63,569 3.751,570 4.934,571 5.58,572 5.653,573 5.653,574 3.264,575 4.427,576 5.132,577 3.933,578 2477.86,579 9.049,580 40592.3,585 391.454,586 1.493,587 5.096,588 0.205,589 0.008,590 0.074,591 0.043,592 0.04,593 0.022,594 0.015,595 0.011,596 0.011,597 0.008,598 0.438,599 0.17,600 0.88,601 1.401,602 197.716,603 0.043,604 -0.013,605 0.124,606 -0.002,607 -0.094,608 0.051,609 0.256,610 -0.028,611 0.011,612 -0.028,613 0.261,614 -0.068,615 -0.083,616 -0.04,617 -0.069,618 -0.033,619 -0.047,620 -0.051,621 -0.112,622 -0.025,623 -0.121,624 -0.064,625 -0.076,626 -0.054,627 -0.123,628 -0.005,629 -0.002,630 0.037,631 -0.145,632 -0.023,633 0.114,634 -0.068,635 0.044,636 -0.065,637 0.079,638 -0.058,639 0.025,640 -0.049,641 0.026,642 -0.018,643 0.024,644 -0.012,645 0.035,646 -0.051,647 0.057,648 -0.016,649 0.037,650 0.004,651 4.56,652 5.886,653 0.611,654 49.444,655 1.004,656 1.116,657 3.879,658 15.044,659 0.692,660 3.689,661 4.007,662 4.22,663 4.466,664 4.718,665 4.812,666 4.956,667 5.142,668 5.298,669 5.366,670 8.21,671 0.651,672 525.11,673 3.689,674 5.231,675 6.061,676 6.936,677 7.79,678 8.674,679 9.54,680 10.43,681 11.305,682 12.199,683 3.1,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 65,726 22,727 2,728 39,730 68,731 28,733 17,734 6,735 6,736 2,739 4,740 5,741 1,748 4,751 8,753 20,754 8,756 4,760 1,761 3,763 2,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,837 1,840 36,844 1,845 1,846 7,847 1,850 1,861 1,862 6.2,864 1,865 3,869 18.75,870 11.293,871 7.875,872 3.962,874 3.092,875 1.383,876 0.972,877 8.71,878 11.159,879 3.97,880 4.559,881 5.022,882 5.543,883 6.06,884 6.258,885 6.556,886 6.88,887 7.253,888 7.538,889 1,890 55,891 13.599,893 6.051,894 7.908,895 25.553,897 21.498,899 2.408,900 86.694,904 317.82,905 158.296,906 33.191,907 39.149,908 112.141,910 5.807,911 152.488,912 469.11,913 33.191,915 17.742,916 116.975,917 153.379,918 39.074,920 294.278,921 39.149,922 317.82,923 185.679,924 112.141,925 44.956,927 270.735,928 159.226,931 52.242,932 97.699,933 80.694,935 317.82,936 145.332,937 197.444,939 5.807,940 317.82,941 39.631,942 112.857,943 16.405,944 168.075,945 317.82,946 145.332,947 197.444,949 0.579,950 0.317,951 0.165,952 0.093,953 24,954 11,955 0.147,956 10,957 1,958 1.091,959 4.634,960 336.02,961 0.091,962 22,963 180.117,967 1,968 26.251,969 11.945,970 7.124,972 145.332,973 17.979,974 4.229,978 6.489,980 59.088,981 660.596,982 52,986 -3.643,987 36.603,989 4.144,991 -0.787,994 65.283,995 72.511,996 0.271,997 0.623,998 0.819,999 0.927,1000 0.939,1001 0.939,1002 5.207,1003 1.825,1004 6.061,1005 5.185,1006 4.691,1007 5.247,1008 2.35,1009 6.878,1010 4.626,1011 6.426,1012 1.583,1013 7.627,1014 4.954,1015 4.369,1016 5.223,1017 2.243,1018 8.003,1019 4.21,1020 7.755,1021 1.56,1022 9.308,1023 4.542,1024 6.323,1025 7.489,1026 3.64,1027 11.048,1028 6.181,1029 9.125,1030 1.422,1031 11.065,1032 3.462,1033 6.825,1034 8.306,1035 4.112,1036 13.051,1037 6.578,1038 10.534,1039 1.079,1040 12.873,1041 3.053,1042 8.287,1043 10.101,1044 5.203,1045 15.698,1046 8.044,1047 11.972,1048 1,1049 14.72,1050 2.569,1051 9.173,1052 11.299,1053 5.889,1054 18.023,1055 8.83,1056 13.434,1057 1,1058 16.595,1059 2.275,1060 10.454,1061 12.923,1062 6.849,1063 20.563,1064 10.093,1065 3.394,1066 0.71,1067 18.492,1068 2.136,1069 11.516,1070 14.298,1071 7.625,1072 23.002,1073 11.067,1074 3.153,1075 12.509,1076 20.405,1077 1.573,1078 12.735,1079 15.858,1080 8.526,1081 25.514,1082 12.247,1083 2.62,1084 10.909,1085 22.332,1086 4.7,1087 13.875,1088 17.315,1089 9.342,1090 27.995,1091 13.309,1092 2.435,1093 8.096,1094 24.269,1095 4.199,1096 15.076,1097 18.852,1098 10.216,1099 30.503,1100 14.459,1101 2.349,1102 7.014,1103 26.214,1104 3.457,1105 16.251,1106 20.348,1107 11.051,1108 33.002,1109 15.562,1110 2.233,1111 6.448,1112 28.166,1113 3.395,1114 17.449,1115 21.88,1116 11.912,1117 35.511,1118 16.703,1119 2.005,1120 6.067,1121 30.123,1122 2.994,1123 18.64,1124 23.395,1125 12.755,1126 38.018,1127 17.825,1128 19044,1129 33934,1130 25.83,1131 44.995,1132 58.071,1133 59.77,1134 58.8,1135 57.773,1136 57.483,1137 75.577,1138 6.042,1139 163.43,1140 55.578,1141 5.799,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.874,1149 5.167,1150 18.791,1151 1.489,1152 1.533,1153 1.508,1154 1.481,1155 1.474,1156 1.938,1157 0.155,1158 4.191,1159 1.425,1160 4.116,1161 4.123,1162 4.737,1163 4.087,1164 7.717,1165 4.035,1166 4.009,1167 4.005,1168 3.997,1169 3.984,1170 7.474,1171 3.941,1172 3.848,1173 3.89,1174 3.925,1175 3.755,1176 6.999,1177 3.756,1178 3.736,1179 3.781,1180 3.778,1181 3.62,1182 6.351,1183 3.602,1184 3.655,1185 3.672,1186 3.605,1187 3.564,1188 4.933,1189 3.521,1190 3.495,1191 3.499,1192 3.439,1193 3.398,1194 4.901,1195 3.359,1196 3.394,1197 3.427,1198 3.291,1199 3.238,1200 4.714,1201 3.241,1202 3.145,1203 3.211,1204 3.157,1205 3.01,1206 4.301,1207 2.996,1208 0.124,1209 0.12,1210 0.187,1211 0.111,1212 0.087,1213 4.852,1214 0.121,1215 4.686,1216 0.06,1217 7.308,1218 0.321,1219 4.315,1220 0.081,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.167,1226 2.047,1227 2.027,1228 2.149,1229 2.12,1230 1.465,1231 2.139,1232 1.947,1233 1.954,1234 1.973,1235 2.008,1236 1.253,1237 2.043,1238 1.833,1239 1.796,1240 1.954,1241 1.949,1242 1.182,1243 1.958,1244 1.728,1245 1.679,1246 1.944,1247 1.887,1248 1.129,1249 1.908,1250 1.59,1251 1.56,1252 1.756,1253 1.739,1254 0.916,1255 1.755,1256 1.381,1257 1.399,1258 1.581,1259 1.567,1260 0.779,1261 1.576,1262 1.356,1263 1.32,1264 1.46,1265 1.517,1266 0.695,1267 1.554,1268 1.16,1269 1.098,1270 1.368,1271 1.347,1272 0.592,1273 1.384,1274 4.369,1276 5.687,1278 7.195,1280 8.796,1282 10.449,1285 5.906,1289 8.902,1290 4.209,1291 2.864,1294 -0.199,1300 42.292,1301 105.967,1302 243.831,1303 320.699,1304 362.699,1305 367.454,1306 367.454,1307 91.9,1308 8.067,1309 96.36,1310 104.74,1311 24,1312 12.729,1313 4.524,1314 3.807,1315 61.938,1316 172,1317 190,1318 0.17,1319 266.618,1320 472.66,1321 642.309,1322 37095,1323 1.5,1324 25.545,1325 0.71,1326 0.595,1327 26.295,1328 21.433,1329 17.315,1330 0.444,1331 0.356,1332 12.073,1333 15.846,1334 11.652,1335 9.62,1336 18.424,1337 13.865,1338 16.025,1339 0.297,1340 0.207,1341 17.734,1342 11.168,1343 12.329,1344 0.184,1345 0.122,1346 13.722,1347 8.151,1348 10.113,1349 0.118,1350 0.07,1351 11.301,1352 5.986,1353 8.299,1354 0.075,1355 0.041,1356 9.408,1357 4.566,1358 0.269,1359 118.309,1360 0.197,1361 33.219,1362 0.462,1363 186,1364 542.398,1365 250.244,1366 579.182,1367 762.39,1368 532,1369 214,1370 492.464,1371 278.977,1372 547.859,1373 789.64,1374 514,1375 5.959} {0 CHEMBL28789,1 1.652,2 13.057,3 5.452,4 29.719,5 138.673,6 8.243,7 0.474,8 4.212,9 4.304,10 3.976,11 3.853,12 5.296,13 3.797,14 4.755,15 4.893,16 4.284,17 4.257,18 6.045,19 4.174,20 5.062,21 5.249,22 4.336,23 4.427,24 6.117,25 4.301,26 5.141,27 5.353,28 4.265,29 4.406,30 6.202,31 4.272,32 5.093,33 5.293,34 4.276,35 4.382,36 6.165,37 4.258,38 5.097,39 5.312,40 4.301,41 4.394,42 6.166,43 4.272,44 5.116,45 5.339,46 4.236,47 4.423,48 6.054,49 4.284,50 5.167,51 5.403,52 4.277,53 4.406,54 6.156,55 4.271,56 0.107,57 0.838,58 13.86,59 6.255,60 22.947,61 7.308,62 0.404,63 1.382,64 23.431,65 10.717,66 80.557,67 13.224,68 0.382,69 1.82,70 39.883,71 15.449,72 77.429,73 18.596,74 0.531,75 1.942,76 47.709,77 16.943,78 100.072,79 20.154,80 0.504,81 1.823,82 41.974,83 15.58,84 101.838,85 18.706,86 0.542,87 1.83,88 40.157,89 15.555,90 95.002,91 19.984,92 0.298,93 1.904,94 38.562,95 16.048,96 59.692,97 21.076,98 0.377,99 1.976,100 46.823,101 17.422,102 76.524,103 22.191,104 31,105 53,106 0.263,107 0.601,108 0.793,109 0.891,110 0.891,111 0.891,112 3.588,113 1.055,114 -4.91,115 -4.82,116 -4.52,118 43.5,120 6,126 1,133 2,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 19,169 1,171 1,172 3,175 3,177 3,180 26,181 1,186 7,191 5,194 27,195 1,198 10,203 5,206 21,207 1,210 7,215 3,218 22,219 1,222 9,227 5,229 23,230 2,234 9,239 4,242 19,243 3,247 11,252 5,255 15,256 4,259 10,262 1,264 6,267 15,268 1,270 2575,271 23.264,272 23.264,273 23.264,274 23.264,275 23.264,276 20.36,277 22.791,278 13.904,279 23.642,280 18.82,281 18.82,282 18.82,283 18.82,284 18.82,285 14.384,286 20.934,287 6.71,288 19.498,289 4.303,290 2.179,291 0.968,292 0.355,293 0.355,294 0.355,295 4.282,297 1,300 1,301 970,302 4.359,306 439.245,310 167.821,313 2.005,314 44.565,317 0.75,318 0.83,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.75,325 75.333,326 457,327 4.852,328 4.686,329 7.308,330 4.314,331 3.394,332 4.7,333 2.341,334 12.509,335 3.131,336 4.451,337 3.597,338 6.55,339 4.096,340 3.099,341 4.135,342 0.68,343 10.405,344 3.053,345 3.936,346 3.29,347 5.56,348 3.591,349 2.598,350 3.466,352 7.619,353 2.579,354 3.84,355 2.903,356 5.471,357 3.393,358 2.441,359 3.395,361 7.185,362 2.343,363 3.586,364 2.891,365 5.171,366 3.271,367 2.326,368 2.846,370 6.317,371 2.218,372 3.538,373 2.536,374 5.037,375 3.228,376 2.229,377 2.803,379 6.045,380 2.13,381 3.484,382 2.245,383 5.005,384 3.088,385 2.095,386 2.697,388 5.764,389 2.079,390 3.173,391 2.118,392 4.658,393 2.877,394 1.898,395 2.334,397 5.177,398 1.845,399 3.015,400 1.867,401 4.609,402 2.506,403 1.556,404 2.113,406 4.54,407 1.436,408 2.865,409 1.699,410 3.99,411 2.441,412 1.449,413 2.017,415 3.369,416 1.411,417 2.821,418 1.533,419 3.587,420 2.377,421 1.401,422 1.811,424 3.018,425 1.362,426 2.5,427 1.371,428 3.44,429 2.077,430 1.079,431 1.5,433 2.541,434 1.074,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.171,445 1,446 3.247,447 1.956,448 1,449 1.146,451 2.136,452 0.953,453 1.756,454 0.838,455 3.227,456 1.377,457 0.376,458 0.477,460 0.842,461 0.373,462 17.181,463 0.491,464 0.96,465 0.027,466 45,467 1.286,468 24,469 0.686,470 21,471 0.6,472 32.849,473 0.939,474 37.419,475 0.604,476 36.681,477 1.048,478 8.559,479 0.245,480 8.238,481 0.235,482 0.119,483 0.049,484 0.262,487 0.568,488 1.139,489 0.723,490 1.066,491 0.664,492 0.897,493 0.461,494 1.092,495 0.785,496 0.99,497 0.439,498 1.011,499 0.892,500 1.095,501 1.062,502 1.091,503 0.84,504 1.083,505 1.016,506 1.016,507 1.106,508 1.089,509 0.994,510 1.023,511 1.035,512 1.033,513 0.821,514 0.962,515 1.18,516 1.041,517 0.59,518 0.995,519 0.729,520 0.953,521 0.649,522 1.001,523 0.54,524 1.047,525 0.722,526 0.962,527 0.514,528 1.043,529 0.665,530 1.042,531 0.834,532 1.011,533 0.627,534 0.96,535 8.5,536 0.293,537 3.556,538 2.5,539 1.831,540 1.222,541 0.807,542 0.658,543 0.566,544 0.351,545 17928,546 57309,547 2.051,548 43.5,549 6,550 11,552 2,553 2,554 2,555 4,558 1.772,559 1.918,560 3.656,561 0.162,567 102.396,568 1.652,569 3.775,570 4.986,571 5.599,572 5.599,573 5.599,574 3.134,575 4.729,576 5.093,577 3.849,578 2290.13,579 8.977,580 36534.5,585 369.16,586 1.513,587 5.053,588 0.224,589 0.008,590 0.067,591 0.047,592 0.037,593 0.025,594 0.016,595 0.013,596 0.011,597 0.008,598 0.455,599 0.17,600 0.88,601 1.28,602 189.845,603 0.04,604 -0.013,605 0.123,606 -0.003,607 -0.1,608 0.053,609 0.255,610 -0.02,611 0.01,612 -0.023,613 0.261,614 -0.065,615 -0.097,616 -0.071,617 -0.101,618 -0.068,619 -0.063,620 -0.094,621 -0.115,622 -0.002,623 -0.108,624 -0.041,625 -0.06,626 -0.024,627 -0.119,628 -0.047,629 -0.018,630 -0.003,631 -0.146,632 -0.066,633 0.122,634 -0.027,635 0.082,636 -0.021,637 0.077,638 -0.001,639 0.03,640 -0.072,641 0.039,642 -0.035,643 0.034,644 -0.034,645 0.041,646 -0.067,647 0.074,648 -0.021,649 0.051,650 0.063,651 4.577,652 5.908,653 0.629,654 45.012,655 1.006,656 1.114,657 3.683,658 13.566,659 0.697,660 3.664,661 3.989,662 4.19,663 4.443,664 4.691,665 4.804,666 4.942,667 5.153,668 5.268,669 5.375,670 7.839,671 0.657,672 511.08,673 3.664,674 5.209,675 6.038,676 6.915,677 7.765,678 8.65,679 9.512,680 10.403,681 11.272,682 12.168,683 3.2,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 62,726 22,727 2,728 38,730 65,731 27,733 17,734 6,735 6,736 2,739 4,740 5,741 1,748 4,751 7,753 20,754 7,756 4,760 1,761 3,763 2,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,837 1,840 35,844 1,845 1,846 6,847 1,850 1,861 1,862 6.5,864 1,865 3,869 18.25,870 10.793,871 7.597,872 3.705,874 3.059,875 1.381,876 0.975,877 8.147,878 11.08,879 3.951,880 4.549,881 5.006,882 5.53,883 6.054,884 6.257,885 6.561,886 6.907,887 7.25,888 7.579,889 0.889,890 53,891 13.226,893 5.917,894 7.934,895 24.737,897 20.827,899 2.434,900 85.194,904 294.278,905 155.761,906 33.191,907 39.149,908 112.141,910 5.807,911 149.954,912 445.567,913 33.191,915 15.207,916 116.975,917 153.379,918 39.074,920 270.735,921 39.149,922 294.278,923 183.144,924 112.141,925 44.956,927 247.193,928 159.226,931 49.707,932 97.699,933 80.694,935 294.278,936 145.332,937 194.91,939 5.807,940 294.278,941 37.096,942 112.857,943 16.405,944 168.075,945 294.278,946 145.332,947 194.91,949 0.581,950 0.315,951 0.163,952 0.092,953 24,954 11,955 0.138,956 9,957 1,958 1.091,959 4.54,960 325.25,961 0.091,962 22,963 173.525,967 1,968 25.28,969 11.28,970 6.868,972 145.332,973 17.955,974 4.2,978 6.235,980 59.088,981 634.519,982 51,986 -3.66,987 36.683,989 3.889,991 -0.821,994 62.4,995 69.096,996 0.277,997 0.634,998 0.837,999 0.94,1000 0.94,1001 0.94,1002 5.19,1003 1.898,1004 6.043,1005 5.764,1006 4.673,1007 5.236,1008 2.35,1009 6.855,1010 4.607,1011 6.415,1012 1.556,1013 7.605,1014 5.177,1015 4.369,1016 5.223,1017 2.243,1018 7.96,1019 4.21,1020 7.745,1021 1.449,1022 9.281,1023 4.54,1024 6.304,1025 7.481,1026 3.64,1027 10.994,1028 6.16,1029 9.115,1030 1.401,1031 11.029,1032 3.369,1033 6.804,1034 8.289,1035 4.112,1036 12.976,1037 6.55,1038 10.521,1039 1.079,1040 12.828,1041 3.018,1042 8.259,1043 10.084,1044 5.203,1045 15.619,1046 8.008,1047 11.956,1048 1,1049 14.666,1050 2.541,1051 9.136,1052 11.272,1053 5.889,1054 17.938,1055 8.778,1056 13.414,1057 1,1058 16.534,1059 2.275,1060 10.414,1061 12.897,1062 6.849,1063 20.476,1064 10.034,1065 3.394,1066 0.376,1067 18.425,1068 2.136,1069 11.469,1070 14.266,1071 7.625,1072 22.917,1073 10.991,1074 3.099,1075 12.509,1076 20.334,1077 0.842,1078 12.685,1079 15.826,1080 8.526,1081 25.431,1082 12.165,1083 2.598,1084 10.405,1085 22.258,1086 4.7,1087 13.821,1088 17.281,1089 9.342,1090 27.917,1091 13.212,1092 2.441,1093 7.619,1094 24.193,1095 4.135,1096 15.02,1097 18.819,1098 10.216,1099 30.428,1100 14.354,1101 2.326,1102 7.185,1103 26.138,1104 3.466,1105 16.193,1106 20.315,1107 11.051,1108 32.932,1109 15.444,1110 2.229,1111 6.317,1112 28.09,1113 3.395,1114 17.391,1115 21.847,1116 11.912,1117 35.446,1118 16.575,1119 2.095,1120 6.045,1121 30.048,1122 2.846,1123 18.581,1124 23.363,1125 12.755,1126 37.958,1127 17.685,1128 17317,1129 31150,1130 25.137,1131 43.233,1132 56.712,1133 58.219,1134 57.2,1135 56.345,1136 56.054,1137 74.085,1138 6.042,1139 159.957,1140 54.15,1141 5.799,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.86,1149 5.131,1150 18.314,1151 1.492,1152 1.532,1153 1.505,1154 1.483,1155 1.475,1156 1.95,1157 0.159,1158 4.209,1159 1.425,1160 4.115,1161 4.121,1162 4.737,1163 4.087,1164 7.717,1165 4.033,1166 4.007,1167 4.003,1168 3.993,1169 3.981,1170 7.474,1171 3.939,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.759,1178 3.715,1179 3.753,1180 3.781,1181 3.609,1182 6.351,1183 3.584,1184 3.642,1185 3.657,1186 3.588,1187 3.54,1188 4.933,1189 3.505,1190 3.479,1191 3.488,1192 3.417,1193 3.385,1194 4.901,1195 3.347,1196 3.336,1197 3.363,1198 3.246,1199 3.173,1200 4.714,1201 3.183,1202 3.076,1203 3.147,1204 3.158,1205 2.921,1206 4.289,1207 2.903,1208 0.128,1209 0.123,1210 0.192,1211 0.114,1212 0.089,1213 4.852,1214 0.124,1215 4.686,1216 0.062,1217 7.308,1218 0.329,1219 4.314,1220 0.082,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.131,1226 2.045,1227 2.026,1228 2.148,1229 2.119,1230 1.463,1231 2.139,1232 1.946,1233 1.953,1234 1.973,1235 2.007,1236 1.193,1237 2.042,1238 1.836,1239 1.799,1240 1.95,1241 1.951,1242 1.138,1243 1.96,1244 1.696,1245 1.652,1246 1.902,1247 1.855,1248 1.129,1249 1.87,1250 1.571,1251 1.544,1252 1.738,1253 1.724,1254 0.906,1255 1.739,1256 1.376,1257 1.391,1258 1.512,1259 1.522,1260 0.774,1261 1.568,1262 1.284,1263 1.253,1264 1.418,1265 1.486,1266 0.596,1267 1.48,1268 1.091,1269 1.018,1270 1.314,1271 1.296,1272 0.549,1273 1.339,1274 4.344,1276 5.666,1278 7.175,1280 8.774,1282 10.423,1285 5.905,1289 8.926,1290 3.243,1291 2.861,1294 -0.222,1300 40.765,1301 102.396,1302 234.035,1303 309.16,1304 347.16,1305 347.16,1306 347.16,1307 87.715,1308 8.021,1309 96.36,1310 104.74,1311 24,1312 12.699,1313 4.524,1314 3.807,1315 59.197,1316 159,1317 177,1318 0.175,1319 257.026,1320 455.36,1321 618.904,1322 34682,1323 1.6,1324 24.838,1325 0.71,1326 0.592,1327 25.588,1328 20.726,1329 16.798,1330 0.442,1331 0.352,1332 11.567,1333 15.329,1334 11.152,1335 9.2,1336 17.907,1337 13.359,1338 15.768,1339 0.298,1340 0.205,1341 17.477,1342 10.861,1343 11.961,1344 0.184,1345 0.121,1346 13.354,1347 7.833,1348 9.919,1349 0.118,1350 0.069,1351 11.108,1352 5.802,1353 8.045,1354 0.074,1355 0.041,1356 9.154,1357 4.407,1358 0.275,1359 115.208,1360 0.199,1361 32.329,1362 0.479,1363 182,1364 538.398,1365 246.244,1366 575.377,1367 756.15,1368 528,1369 209,1370 487.464,1371 273.977,1372 543.329,1373 781.91,1374 509,1375 5} {0 CHEMBL287956,1 1.666,2 14.182,3 5.337,4 28.478,5 129.976,6 8.118,7 0.514,8 4.166,9 4.262,10 3.919,11 3.787,12 5.252,13 3.727,14 4.701,15 4.849,16 4.194,17 4.168,18 6.002,19 4.077,20 4.987,21 5.184,22 4.206,23 4.314,24 6.048,25 4.18,26 5.051,27 5.265,28 4.069,29 4.271,30 6.111,31 4.129,32 5.026,33 5.26,34 4.097,35 4.243,36 6.009,37 4.099,38 5.012,39 5.24,40 4.166,41 4.226,42 6.116,43 4.101,44 4.996,45 5.226,46 4.041,47 4.217,48 6.008,49 4.078,50 4.993,51 5.23,52 4.006,53 4.18,54 6.013,55 4.041,56 0.108,57 0.818,58 13.982,59 6.117,60 22.651,61 7.238,62 0.417,63 1.313,64 23.557,65 10.318,66 80.338,67 12.832,68 0.378,69 1.656,70 39.42,71 14.651,72 75.158,73 17.765,74 0.532,75 1.724,76 42.291,77 14.867,78 99.923,79 18.149,80 0.435,81 1.677,82 41.575,83 14.692,84 85.171,85 18.642,86 0.553,87 1.619,88 38.155,89 13.982,90 96.279,91 18.162,92 0.411,93 1.622,94 38.209,95 14.208,96 80.694,97 18.071,98 0.456,99 1.602,100 38.812,101 13.751,102 85.746,103 17.653,104 29,105 47,106 0.268,107 0.566,108 0.722,109 0.849,110 0.887,111 0.887,112 3.531,113 1.085,114 -4.58,115 -4.51,116 -4.24,118 41.7,120 6,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 23,195 1,198 8,203 4,206 16,207 2,210 5,215 4,218 15,219 3,222 9,227 6,229 15,230 2,234 9,239 4,242 12,243 2,247 9,252 4,255 11,256 2,259 7,260 1,264 4,267 10,268 1,270 2210,271 21.869,272 21.869,273 21.869,274 21.869,275 21.869,276 19.148,277 19.048,278 13.201,279 22.246,280 17.282,281 17.282,282 17.282,283 17.282,284 17.282,285 13.148,286 12.06,287 6.312,288 17.954,289 4.241,290 2.392,291 1.421,292 0.638,293 0.4,294 0.4,295 4.213,297 1,300 1,301 979,302 4.472,306 387.543,313 2.066,314 42.033,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71.333,326 468,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 4.274,337 3.601,338 6.182,339 3.918,340 2.918,341 3.915,343 9.226,344 2.918,345 3.892,346 3.125,347 5.34,348 3.5,349 2.509,350 3.442,352 6.966,353 2.486,354 3.835,355 2.898,356 5.257,357 3.325,358 2.402,359 3.393,361 6.675,362 2.312,363 3.604,364 2.709,365 5.148,366 3.305,367 2.315,368 2.885,370 6.32,371 2.16,372 3.492,373 2.547,374 4.732,375 3.154,376 2.15,377 2.68,379 5.194,380 2.135,381 3.084,382 1.948,383 4.679,384 2.638,385 1.679,386 2.291,388 4.768,389 1.63,390 2.984,391 1.926,392 4.363,393 2.615,394 1.647,395 2.148,397 4.27,398 1.517,399 2.854,400 1.552,401 3.647,402 2.407,403 1.434,404 1.994,406 3.117,407 1.392,408 2.527,409 1.491,410 3.627,411 2.359,412 1.382,413 1.517,415 3.003,416 1.328,417 2.5,418 1.114,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.247,429 1.956,430 1,431 1.5,433 2.136,434 0.954,435 2.02,436 1,437 3.225,438 1.77,439 0.773,440 0.923,442 1.748,443 0.767,444 1.765,445 0.795,446 3.142,447 1.567,448 0.575,449 0.658,451 1.335,452 0.569,453 1.551,454 0.699,455 2.958,456 1.366,457 0.393,458 0.435,460 0.893,461 0.379,462 16.181,463 0.49,464 0.841,465 0.025,466 42,467 1.273,468 22.5,469 0.682,470 19.5,471 0.591,472 29.623,473 0.898,474 36.019,475 0.6,476 32.896,477 0.997,478 8.008,479 0.243,480 7.823,481 0.237,482 0.127,483 0.052,484 0.216,487 0.576,488 1.199,489 0.74,490 1.112,491 0.67,492 0.938,493 0.477,494 1.094,495 0.802,496 1.004,497 0.448,498 1.033,499 0.887,500 1.102,501 1.084,502 1.125,503 0.854,504 1.083,505 1.085,506 1.049,507 1.089,508 1.083,509 1.092,510 1.108,511 0.786,512 1.01,513 0.717,514 0.935,515 0.861,516 0.998,517 0.669,518 0.986,519 0.674,520 0.92,521 0.725,522 0.975,523 0.833,524 1.021,525 0.826,526 0.964,527 0.81,528 0.996,529 0.907,530 0.974,531 0.853,532 0.913,533 0.893,534 0.975,535 7.5,536 0.223,537 3.778,538 1.5,539 1.347,540 1.076,541 0.571,542 0.464,543 0.333,544 0.274,545 16489,546 53797,547 2.004,548 45,549 8,550 11,552 2,553 2,554 2,555 2,558 1.752,559 1.877,560 3.757,561 0.192,567 99.935,568 1.666,569 3.515,570 4.486,571 5.269,572 5.507,573 5.507,574 3.193,575 4.62,576 5.015,577 3.966,578 2093.94,579 8.782,580 33759.4,585 354.413,586 1.478,587 4.968,588 0.214,589 0.007,590 0.08,591 0.033,592 0.034,593 0.027,594 0.014,595 0.012,596 0.009,597 0.008,598 0.436,599 0.17,600 0.75,601 1.024,602 179.194,603 0.041,604 -0.034,605 0.125,606 -0.015,607 -0.099,608 0.042,609 0.255,610 -0.002,611 0.011,612 -0.019,613 0.266,614 -0.068,615 -0.084,616 -0.087,617 -0.099,618 -0.08,619 -0.05,620 -0.079,621 -0.155,622 -0.052,623 -0.168,624 -0.095,625 -0.117,626 -0.127,627 -0.024,628 -0.042,629 0.069,630 0.007,631 -0.043,632 -0.001,633 0.136,634 -0.039,635 0.133,636 -0.012,637 0.088,638 0.018,639 -0.039,640 -0.058,641 0.007,642 -0.011,643 -0.021,644 0.003,645 -0.065,646 -0.013,647 0.001,648 0.013,649 -0.055,650 0.014,651 4.488,652 5.393,653 0.545,654 41.062,655 1.007,656 1.118,657 3.354,658 11.247,659 0.687,660 3.584,661 3.871,662 4.025,663 4.174,664 4.382,665 4.382,666 4.382,667 4.419,668 4.5,669 4.543,670 8.434,671 0.646,672 487.06,673 3.584,674 5.106,675 5.911,676 6.758,677 7.583,678 8.434,679 9.268,680 10.122,681 10.96,682 11.816,683 3.3,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 60,726 21,727 2,728 35,730 62,731 25,733 17,734 5,735 7,739 3,740 3,741 1,751 6,753 18,754 7,756 3,760 1,761 3,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 7,847 1,861 1,862 6.7,864 1,865 3,869 17.583,870 10.376,871 7.319,872 3.601,874 2.872,875 1.391,876 0.957,877 9.161,878 10.217,879 3.871,880 4.449,881 4.869,882 5.315,883 5.812,884 5.854,885 5.954,886 6.054,887 6.374,888 6.63,889 1,890 46,891 12.442,893 5.435,894 7.976,895 23.205,897 18.989,899 2.476,900 81.694,904 294.278,905 145.205,906 33.191,907 39.149,908 112.141,910 5.807,911 139.397,912 445.567,913 33.191,915 17.313,916 107.499,917 153.379,918 35.888,920 270.735,921 39.149,922 294.278,923 172.588,924 112.141,925 44.956,927 270.735,928 135.683,931 51.813,932 103.99,933 61.742,935 294.278,936 145.332,937 184.354,939 5.807,940 294.278,941 36.016,942 103.381,943 16.405,944 168.075,945 294.278,946 145.332,947 184.354,949 0.575,950 0.309,951 0.151,952 0.087,953 19,954 9,955 0.194,956 12,958 1,959 4.489,960 277.137,962 18,963 160.465,967 1,968 25.072,969 12.058,970 8.062,972 145.332,973 19.683,974 4.152,978 5.06,980 59.088,981 623.963,982 47,986 -3.571,987 35.82,991 -0.815,994 60.4,995 67.096,996 0.282,997 0.595,998 0.759,999 0.892,1000 0.932,1001 0.932,1002 5.085,1003 1.647,1004 5.9,1005 4.768,1006 4.554,1007 5.136,1008 2.258,1009 6.671,1010 4.481,1011 6.298,1012 1.434,1013 7.444,1014 4.27,1015 4.205,1016 5.112,1017 2.243,1018 7.789,1019 4.025,1020 7.622,1021 1.382,1022 9.105,1023 3.117,1024 6.155,1025 7.378,1026 3.628,1027 10.764,1028 5.993,1029 8.988,1030 1,1031 10.845,1032 3.003,1033 6.635,1034 8.185,1035 4.112,1036 12.79,1037 6.342,1038 10.394,1039 1,1040 12.641,1041 2.275,1042 8.09,1043 9.984,1044 5.201,1045 15.398,1046 7.8,1047 11.828,1048 0.773,1049 14.479,1050 2.136,1051 8.955,1052 11.168,1053 5.889,1054 17.747,1055 8.529,1056 13.285,1057 0.575,1058 16.35,1059 1.748,1060 10.229,1061 12.796,1062 6.849,1063 20.274,1064 9.776,1065 3.374,1066 0.393,1067 18.245,1068 1.335,1069 11.275,1070 14.162,1071 7.625,1072 22.731,1073 10.693,1074 2.918,1075 12.404,1076 20.161,1077 0.893,1078 12.487,1079 15.727,1080 8.526,1081 25.243,1082 11.849,1083 2.509,1084 9.226,1085 22.091,1086 4.697,1087 13.617,1088 17.181,1089 9.342,1090 27.736,1091 12.861,1092 2.402,1093 6.966,1094 24.033,1095 3.915,1096 14.814,1097 18.724,1098 10.216,1099 30.248,1100 13.98,1101 2.315,1102 6.675,1103 25.984,1104 3.442,1105 15.983,1106 20.222,1107 11.051,1108 32.755,1109 15.037,1110 2.15,1111 6.32,1112 27.943,1113 3.393,1114 17.179,1115 21.759,1116 11.912,1117 35.269,1118 16.143,1119 1.679,1120 5.194,1121 29.907,1122 2.885,1123 18.368,1124 23.279,1125 12.755,1126 37.782,1127 17.223,1128 16119,1129 29344,1130 22.94,1131 41.233,1132 51.165,1133 52.81,1134 51.937,1135 51.371,1136 51.104,1137 67.952,1138 4.682,1139 140.661,1140 49.217,1141 5.765,1142 6.683,1143 7.095,1144 5.337,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 17.784,1151 1.462,1152 1.509,1153 1.484,1154 1.468,1155 1.46,1156 1.941,1157 0.134,1158 4.019,1159 1.406,1160 4.082,1161 4.076,1162 4.736,1163 4.067,1164 7.717,1165 3.988,1166 3.995,1167 4.007,1168 3.944,1169 3.948,1170 7.474,1171 3.929,1172 3.856,1173 3.897,1174 3.922,1175 3.765,1176 6.999,1177 3.766,1178 3.686,1179 3.72,1180 3.789,1181 3.594,1182 6.351,1183 3.544,1184 3.591,1185 3.607,1186 3.509,1187 3.451,1188 4.931,1189 3.431,1190 3.461,1191 3.487,1192 3.363,1193 3.315,1194 4.895,1195 3.301,1196 3.302,1197 3.359,1198 3.173,1199 3.168,1200 4.697,1201 3.15,1202 3.049,1203 3.083,1204 3.136,1205 2.842,1206 4.269,1207 2.852,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.291,1220 0.087,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.994,1227 1.974,1228 2.114,1229 2.074,1230 1.378,1231 2.093,1232 1.951,1233 1.955,1234 1.978,1235 2.015,1236 1.238,1237 2.054,1238 1.843,1239 1.806,1240 1.953,1241 1.959,1242 1.144,1243 1.967,1244 1.644,1245 1.6,1246 1.864,1247 1.817,1248 1.118,1249 1.838,1250 1.506,1251 1.487,1252 1.713,1253 1.711,1254 0.907,1255 1.714,1256 1.395,1257 1.374,1258 1.595,1259 1.56,1260 0.761,1261 1.598,1262 1.287,1263 1.245,1264 1.328,1265 1.458,1266 0.59,1267 1.494,1268 0.975,1269 0.937,1270 1.181,1271 1.238,1272 0.399,1273 1.231,1274 4.263,1276 5.557,1278 7.033,1280 8.59,1282 10.192,1285 5.825,1289 9.062,1290 3.85,1291 2.627,1300 38.765,1301 99.935,1302 210.918,1303 269.155,1304 316.149,1305 330.413,1306 330.413,1307 91.561,1308 7.345,1309 96.36,1310 104.74,1311 18,1312 12.374,1313 4.459,1314 3.7,1315 64.294,1316 166,1317 170,1318 0.181,1319 248.162,1320 435.76,1321 597.276,1322 16503,1323 1.7,1324 23.684,1325 0.718,1326 0.599,1327 24.434,1328 19.778,1329 15.831,1330 0.452,1331 0.362,1332 10.867,1333 14.334,1334 10.473,1335 8.663,1336 16.941,1337 12.661,1338 14.443,1339 0.307,1340 0.213,1341 16.175,1342 10.017,1343 10.838,1344 0.197,1345 0.129,1346 12.234,1347 7.072,1348 8.152,1349 0.127,1350 0.075,1351 9.185,1352 4.774,1353 6.604,1354 0.084,1355 0.044,1356 7.556,1357 3.51,1358 0.293,1359 109.456,1360 0.209,1361 31.407,1362 0.474,1363 164,1364 508.398,1365 227.911,1366 543.634,1367 706.92,1368 498,1369 184,1370 445.182,1371 246.974,1372 498.697,1373 712.19,1374 467,1375 7.585} {0 CHEMBL288118,1 1.567,2 15.35,3 3.289,4 10.817,5 143.585,6 7.675,7 0.395,8 4.383,9 4.473,10 3.95,11 3.841,12 5.565,13 3.856,14 4.919,15 5.052,16 4.285,17 4.209,18 6.161,19 4.202,20 5.184,21 5.361,22 4.324,23 4.344,24 6.283,25 4.3,26 5.247,27 5.436,28 4.304,29 4.351,30 6.337,31 4.302,32 5.271,33 5.47,34 4.335,35 4.364,36 6.334,37 4.314,38 5.282,39 5.475,40 4.361,41 4.397,42 6.365,43 4.338,44 5.323,45 5.531,46 4.346,47 4.404,48 6.36,49 4.349,50 5.305,51 5.501,52 4.367,53 4.378,54 6.442,55 4.336,56 0.217,57 0.958,58 14.423,59 6.926,60 28.796,61 8.087,62 0.824,63 1.505,64 28.031,65 11.005,66 91.488,67 13.371,68 1.182,69 1.798,70 40.064,71 14.441,72 101.943,73 18.248,74 1.099,75 1.865,76 43.53,77 15.263,78 120.139,79 19.394,80 1.244,81 1.902,82 45.415,83 15.556,84 122.819,85 20.126,86 1.435,87 1.948,88 45.472,89 15.923,90 128.417,91 20.749,92 1.222,93 2.007,94 48.294,95 16.29,96 136.352,97 21.271,98 1.606,99 1.944,100 47.972,101 15.412,102 157.252,103 19.833,104 35,105 57,106 0.244,107 0.605,108 0.809,109 0.916,110 0.929,111 0.929,112 3.717,113 0.901,114 -3.3,115 -3.29,116 -3.15,118 40.3,120 3,121 1,124 4,126 1,127 1,133 2,140 7,141 2,142 3,143 1,149 1,154 2,156 1,163 2,167 2,168 12,169 2,171 2,172 7,175 2,177 4,180 11,181 3,185 4,186 10,191 5,194 8,195 2,198 9,199 1,201 1,203 4,206 6,207 1,209 2,210 10,211 1,213 1,215 2,218 6,219 1,221 4,222 13,225 2,227 2,229 5,230 1,234 11,235 2,237 1,239 2,242 7,246 3,247 6,248 3,250 2,252 1,255 10,256 1,258 5,259 5,262 3,264 3,267 12,268 3,270 3718,271 27.034,272 27.034,273 27.034,274 27.034,275 27.034,276 24.299,277 28.511,278 16.443,279 27.596,280 21.254,281 21.254,282 21.254,283 21.254,284 21.254,285 17.23,286 29.113,287 7.845,288 22.186,289 4.603,290 2.277,291 0.964,292 0.278,293 0.194,294 0.194,295 4.411,301 1296,302 4.528,305 127.099,306 434.673,313 2.235,314 60.115,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 90,326 614,327 4.327,328 3.597,329 6.671,330 4.088,331 3.119,332 3.968,333 2.341,334 10.746,335 3.018,336 4.316,337 3.586,338 6.229,339 3.92,340 2.956,341 3.853,342 1.465,343 9.348,344 2.854,345 3.922,346 3.527,347 5.804,348 3.534,349 2.568,350 3.479,351 1.437,352 7.786,353 2.473,354 3.847,355 3.2,356 5.707,357 3.488,358 2.547,359 3.198,360 0.86,361 7.602,362 2.408,363 3.722,364 2.973,365 5.352,366 3.437,367 2.493,368 2.833,369 0.86,370 6.996,371 2.312,372 3.558,373 2.662,374 5.249,375 3.249,376 2.251,377 2.719,378 0.811,379 6.607,380 2.231,381 3.302,382 2.533,383 4.659,384 3.205,385 2.213,386 2.342,388 5.183,389 2.184,390 3.091,391 2.259,392 4.543,393 2.677,394 1.711,395 2.179,397 4.488,398 1.654,399 2.924,400 2.156,401 4.446,402 2.576,403 1.663,404 2.049,406 4.4,407 1.505,408 2.866,409 1.964,410 3.825,411 2.467,412 1.486,413 2.007,415 3.193,416 1.452,417 2.805,418 1.914,419 3.803,420 2.391,421 1.414,422 1.844,424 3.073,425 1.374,426 2.793,427 1.547,428 3.633,429 2.351,430 1.397,431 1.831,433 3.032,434 1.322,435 2.689,436 1.534,437 3.595,438 2.226,439 1.249,440 1.729,442 2.864,443 1.202,444 2.205,445 1.429,446 3.574,447 1.934,448 1,449 1.168,451 2.547,452 0.925,453 2.176,454 1.239,455 3.292,456 1.833,457 0.899,458 1.109,460 2.024,461 0.83,462 18.3,463 0.458,464 0.856,465 0.021,466 47.5,467 1.188,468 21.5,469 0.538,470 26,471 0.65,472 38.479,473 0.962,474 45.3,475 0.629,476 43.12,477 1.078,478 9.861,479 0.247,480 9.541,481 0.239,482 0.091,484 0.295,487 0.891,488 1.343,489 0.782,490 1.196,491 0.8,492 1.001,493 0.933,494 1.106,495 0.96,496 1.101,497 0.536,498 1.042,499 0.986,500 1.003,501 1.018,502 1.057,503 0.821,504 1.05,505 1.109,506 1.071,507 1.051,508 1.107,509 0.914,510 1.075,511 1.019,512 0.981,513 0.97,514 1.013,515 0.709,516 0.988,517 0.865,518 1.009,519 0.971,520 1.04,521 0.666,522 1.041,523 1.057,524 0.993,525 0.979,526 0.995,527 0.854,528 0.974,529 1.12,530 0.869,531 1.014,532 0.867,533 0.921,534 0.907,535 7,536 0.418,537 4,538 1.972,539 1.814,540 1.261,541 0.715,542 0.566,543 0.504,544 0.472,545 26764,546 85274,547 2.05,548 44.4,549 4,550 18,551 2,552 2,553 3,554 2,556 1,558 1.804,559 1.935,560 3.856,561 0.781,567 112.824,568 1.567,569 3.893,570 5.206,571 5.892,572 5.975,573 5.975,574 3.325,575 4.922,576 5.287,577 4.073,578 3176.71,579 9.362,580 57472.9,585 444.235,586 1.329,587 5.26,588 0.163,589 0.007,590 0.07,591 0.035,592 0.033,593 0.022,594 0.012,595 0.01,596 0.009,597 0.008,598 0.369,599 0.33,600 0.63,601 1.389,602 228.097,603 -0.096,604 -0.143,605 0.026,606 -0.056,607 -0.096,608 0.004,609 0.022,610 0.013,611 -0.062,612 -0.05,613 0.134,614 -0.07,616 0.002,617 -0.059,618 -0.037,619 -0.04,620 -0.058,621 -0.107,622 -0.099,623 -0.073,624 -0.098,625 -0.068,626 -0.08,627 -0.028,628 -0.019,629 0.018,630 -0.014,631 0.005,632 0.009,633 0.099,634 -0.035,635 0.005,636 -0.032,637 0.038,638 -0.04,639 -0.089,640 -0.036,641 0.012,642 -0.002,643 -0.071,644 0.026,645 -0.025,646 0.091,647 -0.003,648 0.108,649 -0.034,650 0.066,651 2.765,652 4.554,653 0.575,654 57.198,655 1.019,656 1.127,657 2.073,658 4.297,659 0.646,660 3.784,661 4.06,662 4.277,663 4.489,664 4.682,665 4.754,666 4.86,667 4.97,668 5.106,669 5.242,670 9.045,671 0.63,672 552.63,673 3.784,674 5.303,675 6.125,676 6.974,677 7.817,678 8.674,679 9.528,680 10.39,681 11.25,682 12.116,683 2.8,691 1,693 1,699 10,700 1,704 5,705 1,706 17,714 1,721 1,722 2,724 72,726 20,727 2,728 43,730 75,731 29,733 15,734 5,735 7,736 1,739 4,740 4,748 1,749 1,751 4,753 19,754 10,755 1,756 3,761 2,763 2,765 2,772 32,773 10,774 3,775 11,778 1,779 2,784 1,785 9,801 1,802 3,818 1,822 2,830 2,831 2,832 4,840 40,845 3,846 7,848 4,850 3,862 12.5,864 3,865 2,866 2,867 2,869 20.667,870 12.25,871 8.972,872 4.107,874 2.779,875 1.344,876 0.905,877 11.002,878 10.869,879 4.016,880 4.514,881 4.958,882 5.411,883 5.78,884 5.883,885 6.092,886 6.237,887 6.521,888 6.845,889 1,890 57,891 14.886,893 6.36,894 8.029,895 27.624,897 22.203,899 2.529,900 101.167,904 341.362,905 154.523,906 18.685,908 222.339,911 154.523,912 563.701,913 18.685,915 23.486,916 94.693,917 251.106,918 49.804,919 23.542,920 294.278,922 341.362,923 173.208,924 222.339,927 329.591,928 212.111,929 22,930 0.36,931 43.052,932 94.059,933 35.738,935 341.362,936 241.024,937 154.523,940 341.722,941 42.164,942 113.899,944 239.125,945 341.362,946 241.024,947 154.523,949 0.569,950 0.317,951 0.165,952 0.087,953 23,954 11,955 0.187,956 14,958 1,959 5.022,960 376.814,962 23,963 212.877,968 29.615,969 14.861,970 8.821,972 239.125,973 16.444,974 3.996,978 1.361,979 1.854,980 128.05,981 736.909,982 54.5,987 22.313,989 3.712,991 -1.955,994 73.403,995 81.109,996 0.254,997 0.631,998 0.844,999 0.955,1000 0.968,1001 0.968,1002 5.238,1003 1.711,1004 6.08,1005 5.183,1006 4.745,1007 5.201,1008 3.103,1009 6.83,1010 4.661,1011 6.398,1012 1.663,1013 7.6,1014 4.488,1015 4.205,1016 4.82,1017 2.243,1018 7.639,1019 4.096,1020 7.666,1021 1.486,1022 9.224,1023 4.4,1024 6.275,1025 7.232,1026 4.068,1027 10.718,1028 6.117,1029 8.966,1030 1.414,1031 10.91,1032 3.193,1033 6.581,1034 7.7,1035 4.112,1036 12.403,1037 6.391,1038 10.299,1039 1.397,1040 12.639,1041 3.073,1042 8.082,1043 9.56,1044 5.398,1045 14.99,1046 7.854,1047 11.654,1048 1.249,1049 14.398,1050 3.032,1051 8.79,1052 10.436,1053 5.889,1054 17.044,1055 8.527,1056 13.026,1057 1,1058 16.179,1059 2.864,1060 10.054,1061 12.053,1062 6.93,1063 19.47,1064 9.758,1065 3.119,1066 0.899,1067 17.976,1068 2.547,1069 10.963,1070 13.143,1071 7.625,1072 21.688,1073 10.631,1074 2.956,1075 10.746,1076 19.787,1077 2.024,1078 12.128,1079 14.64,1080 8.558,1081 24.061,1082 11.766,1083 2.568,1084 9.348,1085 21.608,1086 3.968,1087 13.138,1088 15.845,1089 9.342,1090 26.354,1091 12.741,1092 2.547,1093 7.786,1094 23.438,1095 3.853,1096 14.264,1097 17.28,1098 10.228,1099 28.713,1100 13.837,1101 2.493,1102 7.602,1103 25.276,1104 3.479,1105 15.325,1106 18.55,1107 11.051,1108 31.042,1109 14.865,1110 2.251,1111 6.996,1112 27.119,1113 3.198,1114 16.439,1115 19.953,1116 11.917,1117 33.4,1118 15.948,1119 2.213,1120 6.607,1121 28.969,1122 2.833,1123 17.527,1124 21.26,1125 12.755,1126 35.747,1127 17.003,1128 25892,1129 46369,1130 28.72,1131 46.523,1132 63.47,1133 64.3,1134 63.798,1135 62.515,1136 62.518,1137 78.122,1138 15.547,1139 170.038,1140 59.759,1141 5.327,1142 5.597,1143 6.442,1144 5.195,1145 5.119,1146 6.968,1147 3.925,1148 17.818,1149 5.018,1150 20.334,1151 1.476,1152 1.495,1153 1.484,1154 1.454,1155 1.454,1156 1.817,1157 0.362,1158 3.954,1159 1.39,1160 4.008,1161 4.036,1162 3.948,1163 3.901,1164 7.477,1165 3.906,1166 3.937,1167 3.978,1168 3.882,1169 3.841,1170 7.472,1171 3.848,1172 3.892,1173 3.921,1174 3.839,1175 3.698,1176 6.469,1177 3.726,1178 3.772,1179 3.809,1180 3.67,1181 3.665,1182 6.352,1183 3.658,1184 3.662,1185 3.689,1186 3.562,1187 3.477,1188 6.35,1189 3.488,1190 3.456,1191 3.484,1192 3.363,1193 3.239,1194 4.972,1195 3.26,1196 3.397,1197 3.431,1198 3.31,1199 3.166,1200 4.902,1201 3.187,1202 3.268,1203 3.296,1204 3.146,1205 3.059,1206 4.78,1207 3.072,1208 0.101,1209 0.084,1210 0.155,1211 0.095,1212 0.073,1213 4.327,1214 0.092,1215 3.597,1216 0.054,1217 6.671,1218 0.25,1219 4.088,1220 0.07,1221 3.119,1222 3.968,1223 2.341,1224 10.746,1225 3.018,1226 1.934,1227 1.913,1228 2.058,1229 2.056,1230 1.366,1231 2.053,1232 1.887,1233 1.877,1234 1.972,1235 2.004,1236 1.143,1237 1.992,1238 1.767,1239 1.727,1240 1.949,1241 1.902,1242 1.115,1243 1.917,1244 1.629,1245 1.571,1246 1.825,1247 1.864,1248 1.046,1249 1.855,1250 1.606,1251 1.562,1252 1.814,1253 1.815,1254 1.015,1255 1.811,1256 1.383,1257 1.347,1258 1.622,1259 1.628,1260 0.889,1261 1.623,1262 1.31,1263 1.248,1264 1.5,1265 1.528,1266 0.634,1267 1.521,1268 1.202,1269 1.172,1270 1.449,1271 1.474,1272 0.528,1273 1.44,1274 4.466,1276 5.753,1277 2.398,1278 7.219,1279 4.443,1280 8.776,1281 6.26,1282 10.386,1289 28.786,1290 2.141,1292 23.963,1294 -1.448,1300 45.378,1301 112.824,1302 280.302,1303 374.809,1304 424.235,1305 430.235,1306 430.235,1307 110.575,1308 8.09,1309 149.57,1310 149.57,1311 23,1312 12.663,1313 4.392,1314 3.644,1315 72.954,1316 214,1317 238,1318 0.16,1319 276.728,1320 500.19,1321 666.977,1322 41259,1324 28.321,1325 0.708,1326 0.545,1327 28.321,1328 21.796,1329 19.402,1330 0.451,1331 0.3,1332 12.655,1333 18.375,1334 12.494,1335 10.251,1336 19.402,1337 12.908,1338 17.057,1339 0.299,1340 0.161,1341 17.057,1342 9.205,1343 13.472,1344 0.19,1345 0.089,1346 13.472,1347 6.328,1348 10.741,1349 0.122,1350 0.049,1351 10.741,1352 4.273,1353 8.377,1354 0.078,1355 0.027,1356 8.377,1357 2.874,1358 0.256,1359 123.952,1360 0.187,1361 36.34,1362 0.428,1363 200,1364 718.152,1365 229.542,1366 660.363,1367 866.65,1368 616,1369 228,1370 599.202,1371 256.331,1372 593.294,1373 865.32,1374 557,1375 5.77} {0 CHEMBL28814,1 1.61,2 13.568,3 6.394,4 40.882,5 148.315,6 7.929,7 0.45,8 4.294,9 4.392,10 4.019,11 3.925,12 5.352,13 3.863,14 4.848,15 4.998,16 4.33,17 4.332,18 6.088,19 4.243,20 5.148,21 5.34,22 4.406,23 4.517,24 6.173,25 4.39,26 5.252,27 5.462,28 4.35,29 4.533,30 6.272,31 4.393,32 5.265,33 5.479,34 4.373,35 4.531,36 6.287,37 4.397,38 5.262,39 5.481,40 4.392,41 4.551,42 6.288,43 4.414,44 5.326,45 5.578,46 4.297,47 4.569,48 6.176,49 4.406,50 5.306,51 5.558,52 4.347,53 4.541,54 6.193,55 4.381,56 0.097,57 0.92,58 15.975,59 6.983,60 21.977,61 8.454,62 0.399,63 1.52,64 27.472,65 12.047,66 82.12,67 15.27,68 0.341,69 1.986,70 43.88,71 16.935,72 75.329,73 20.941,74 0.467,75 2.171,76 51.656,77 18.858,78 95.631,79 23.117,80 0.526,81 2.147,82 50.353,83 18.564,84 108.379,85 23.135,86 0.502,87 2.164,88 46.966,89 18.492,90 95.828,91 24.341,92 0.373,93 2.329,94 50.249,95 19.81,96 74.621,97 26.785,98 0.334,99 2.285,100 53.066,101 19.918,102 68.094,103 26.32,104 43,105 56,106 0.252,107 0.588,108 0.8,109 0.886,110 0.886,111 0.886,112 3.642,113 1.071,114 -5.3,115 -5.19,116 -4.85,118 42.6,119 1,120 7,126 1,133 2,140 7,141 6,142 2,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 3,175 3,177 3,180 29,181 1,186 7,191 5,194 32,195 1,198 10,203 5,206 26,207 1,210 7,215 3,218 27,219 1,222 10,227 5,229 27,230 1,234 8,239 4,242 23,243 2,247 10,252 4,255 19,256 4,259 12,262 1,264 6,267 16,268 4,270 2991,271 24.523,272 24.523,273 24.523,274 24.523,275 24.523,276 21.539,277 25.217,278 14.613,279 24.902,280 19.771,281 19.771,282 19.771,283 19.771,284 19.771,285 15.25,286 24.251,287 7.02,288 20.449,289 4.477,290 2.329,291 0.977,292 0.423,293 0.423,294 0.423,295 4.334,297 1,300 1,301 1060,302 4.528,306 468.084,310 179.824,313 2.143,314 45.483,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 79.333,326 502,327 4.852,328 4.686,329 7.308,330 4.317,331 3.395,332 4.7,333 2.341,334 12.509,335 3.222,336 4.572,337 3.596,338 6.789,339 4.21,340 3.214,341 4.299,342 0.68,343 11.145,344 3.081,345 3.949,346 3.4,347 5.96,348 3.636,349 2.644,350 3.468,352 8.356,353 2.623,354 3.842,355 2.942,356 5.551,357 3.456,358 2.477,359 3.396,361 7.393,362 2.431,363 3.735,364 2.897,365 5.31,366 3.306,367 2.382,368 3.089,370 6.606,371 2.223,372 3.555,373 2.654,374 5.174,375 3.241,376 2.236,377 2.814,379 6.301,380 2.178,381 3.5,382 2.334,383 5.049,384 3.127,385 2.14,386 2.709,388 5.984,389 2.102,390 3.205,391 2.187,392 4.659,393 2.966,394 1.99,395 2.346,397 5.183,398 1.923,399 3.02,400 1.955,401 4.618,402 2.598,403 1.597,404 2.125,406 4.552,407 1.594,408 2.943,409 1.705,410 4.065,411 2.508,412 1.559,413 2.05,415 3.472,416 1.414,417 2.871,418 1.632,419 3.782,420 2.422,421 1.455,422 1.941,424 3.204,425 1.403,426 2.5,427 1.401,428 3.574,429 2.156,430 1.159,431 1.5,433 2.847,434 1.154,435 2.5,436 1.194,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.271,445 1,446 3.378,447 1.956,448 1,449 1.237,451 2.136,452 0.954,453 2.142,454 1,455 3.247,456 1.855,457 0.854,458 1.026,460 1.938,461 0.852,462 18.181,463 0.491,464 1.033,465 0.028,466 46,467 1.243,468 24,469 0.649,470 22,471 0.595,472 38.314,473 1.036,474 40.019,475 0.589,476 37.941,477 1.025,478 8.632,479 0.233,480 9.093,481 0.246,482 0.14,483 0.046,484 0.275,487 0.568,488 1.16,489 0.744,490 1.086,491 0.664,492 0.932,493 0.454,494 1.074,495 0.775,496 0.975,497 0.431,498 0.99,499 0.878,500 1.077,501 1.036,502 1.068,503 0.824,504 1.053,505 0.984,506 1.071,507 1.106,508 1.129,509 0.981,510 1.078,511 1.015,512 0.998,513 0.801,514 0.931,515 1.149,516 1.01,517 0.547,518 1.082,519 0.755,520 1.022,521 0.596,522 1.078,523 0.525,524 0.983,525 0.707,526 0.898,527 0.489,528 0.992,529 0.531,530 1.011,531 0.795,532 0.971,533 0.468,534 0.958,535 8.5,536 0.305,537 4.222,538 2.813,539 2.342,540 1.472,541 0.909,542 0.686,543 0.611,544 0.454,545 20458,546 62939,547 2.032,548 45.6,549 11,550 10,552 2,553 2,554 2,555 4,558 1.786,559 1.889,560 3.695,561 0.135,567 109.486,568 1.61,569 3.758,570 5.111,571 5.665,572 5.665,573 5.665,574 3.247,575 4.777,576 5.172,577 3.9,578 2597.3,579 9.139,580 42917.4,585 413.947,586 1.556,587 5.128,588 0.213,589 0.007,590 0.075,591 0.048,592 0.043,593 0.027,594 0.016,595 0.013,596 0.011,597 0.009,598 0.462,599 0.17,600 0.88,601 1.411,602 203.886,603 0.045,604 -0.013,605 0.124,607 -0.096,608 0.05,609 0.262,610 0.007,611 0.04,612 0.01,613 0.267,614 -0.019,615 -0.086,616 -0.042,617 -0.077,618 -0.039,619 -0.049,620 -0.059,621 -0.109,622 -0.048,623 -0.135,624 -0.088,625 -0.074,626 -0.084,627 -0.105,628 -0.015,629 -0.002,630 0.024,631 -0.128,632 -0.031,633 0.118,634 -0.107,635 0.036,636 -0.088,637 0.081,638 -0.078,639 0.026,640 -0.011,641 0.059,642 0.024,643 0.022,644 0.019,645 0.059,646 -0.025,647 0.09,648 0.009,649 0.065,650 0.062,651 4.579,652 5.99,653 0.595,654 49.942,655 1.002,656 1.117,657 4.071,658 16.576,659 0.688,660 3.714,661 4.043,662 4.263,663 4.511,664 4.771,665 4.883,666 5.024,667 5.226,668 5.371,669 5.451,670 8.083,671 0.644,672 539.14,673 3.714,674 5.263,675 6.098,676 6.978,677 7.838,678 8.727,679 9.6,680 10.496,681 11.377,682 12.278,683 2.9,685 1,693 1,699 9,700 1,704 8,706 18,723 1,724 68,726 22,727 2,728 40,730 71,731 29,733 17,734 7,735 5,736 2,739 4,740 5,741 1,745 1,748 4,751 8,753 20,754 9,756 4,760 1,761 3,763 2,765 1,772 31,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,836 1,837 1,840 37,844 1,845 1,846 7,847 1,850 1,861 1,862 5.9,864 1,865 3,869 19.583,870 12.21,871 8.069,872 4.163,874 3.032,875 1.374,876 0.969,877 8.94,878 11.148,879 3.989,880 4.59,881 5.061,882 5.586,883 6.112,884 6.333,885 6.623,886 6.964,887 7.329,888 7.63,889 1,890 58,891 13.982,893 6.208,894 7.888,895 26.328,897 22.145,899 2.388,900 88.361,904 341.362,905 160.83,906 33.191,907 39.149,908 112.141,910 5.807,911 155.023,912 492.652,913 33.191,914 8.825,915 17.742,916 107.499,917 153.379,918 42.26,920 317.82,921 39.149,922 341.362,923 188.213,924 112.141,925 44.956,927 294.278,928 159.226,931 61.067,932 91.408,933 80.694,935 341.362,936 145.332,937 199.979,939 5.807,940 341.362,941 42.816,942 112.206,943 16.405,944 168.075,945 341.362,946 145.332,947 199.979,949 0.582,950 0.321,951 0.165,952 0.094,953 25,954 12,955 0.141,956 10,957 1,958 1.091,959 4.646,960 353.023,961 0.091,962 22,963 186.75,967 1,968 27.223,969 12.151,970 7.148,972 145.332,973 16,974 4.244,978 7.715,980 59.088,981 686.672,982 53,986 -3.663,987 36.827,989 4.162,991 -0.785,994 68.167,995 75.926,996 0.264,997 0.617,998 0.84,999 0.931,1000 0.931,1001 0.931,1002 5.234,1003 1.99,1004 6.107,1005 5.984,1006 4.727,1007 5.278,1008 2.35,1009 6.936,1010 4.665,1011 6.461,1012 1.597,1013 7.683,1014 5.183,1015 4.443,1016 5.293,1017 2.243,1018 8.065,1019 4.295,1020 7.797,1021 1.559,1022 9.373,1023 4.552,1024 6.372,1025 7.534,1026 3.64,1027 11.121,1028 6.237,1029 9.173,1030 1.455,1031 11.135,1032 3.472,1033 6.899,1034 8.374,1035 4.112,1036 13.108,1037 6.671,1038 10.586,1039 1.159,1040 12.947,1041 3.204,1042 8.347,1043 10.155,1044 5.203,1045 15.766,1046 8.12,1047 12.027,1048 1,1049 14.795,1050 2.847,1051 9.246,1052 11.366,1053 5.889,1054 18.078,1055 8.931,1056 13.492,1057 1,1058 16.67,1059 2.275,1060 10.522,1061 12.983,1062 6.849,1063 20.623,1064 10.188,1065 3.395,1066 0.854,1067 18.565,1068 2.136,1069 11.591,1070 14.365,1071 7.625,1072 23.054,1073 11.181,1074 3.214,1075 12.509,1076 20.477,1077 1.938,1078 12.808,1079 15.921,1080 8.526,1081 25.569,1082 12.364,1083 2.644,1084 11.145,1085 22.401,1086 4.7,1087 13.952,1088 17.381,1089 9.342,1090 28.045,1091 13.442,1092 2.477,1093 8.356,1094 24.336,1095 4.299,1096 15.154,1097 18.917,1098 10.216,1099 30.553,1100 14.599,1101 2.382,1102 7.393,1103 26.278,1104 3.468,1105 16.331,1106 20.414,1107 11.051,1108 33.049,1109 15.717,1110 2.236,1111 6.606,1112 28.227,1113 3.396,1114 17.531,1115 21.945,1116 11.912,1117 35.556,1118 16.868,1119 2.14,1120 6.301,1121 30.182,1122 3.089,1123 18.724,1124 23.46,1125 12.755,1126 38.061,1127 18.004,1128 19854,1129 35042,1130 26.235,1131 46.756,1132 59.645,1133 61.531,1134 60.932,1135 59.461,1136 59.156,1137 77.46,1138 6.042,1139 170.114,1140 57.251,1141 5.799,1142 6.686,1143 7.11,1144 5.372,1145 5.395,1146 7.7,1147 3.925,1148 20.057,1149 5.222,1150 20.636,1151 1.491,1152 1.538,1153 1.523,1154 1.487,1155 1.479,1156 1.937,1157 0.151,1158 4.253,1159 1.431,1160 4.121,1161 4.13,1162 4.737,1163 4.091,1164 7.717,1165 4.045,1166 4.015,1167 4.008,1168 4.011,1169 3.994,1170 7.474,1171 3.945,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.759,1178 3.737,1179 3.783,1180 3.782,1181 3.624,1182 6.351,1183 3.605,1184 3.664,1185 3.689,1186 3.606,1187 3.568,1188 4.933,1189 3.532,1190 3.512,1191 3.512,1192 3.46,1193 3.425,1194 4.9,1195 3.377,1196 3.418,1197 3.45,1198 3.32,1199 3.264,1200 4.708,1201 3.269,1202 3.174,1203 3.244,1204 3.159,1205 3.015,1206 4.3,1207 3.004,1208 0.121,1209 0.117,1210 0.183,1211 0.108,1212 0.085,1213 4.852,1214 0.117,1215 4.686,1216 0.059,1217 7.308,1218 0.313,1219 4.317,1220 0.081,1221 3.395,1222 4.7,1223 2.341,1224 12.509,1225 3.222,1226 2.056,1227 2.037,1228 2.155,1229 2.126,1230 1.474,1231 2.145,1232 1.948,1233 1.956,1234 1.973,1235 2.009,1236 1.252,1237 2.045,1238 1.836,1239 1.799,1240 1.958,1241 1.952,1242 1.197,1243 1.961,1244 1.729,1245 1.681,1246 1.943,1247 1.887,1248 1.133,1249 1.908,1250 1.616,1251 1.58,1252 1.802,1253 1.765,1254 0.964,1255 1.784,1256 1.389,1257 1.412,1258 1.595,1259 1.576,1260 0.782,1261 1.585,1262 1.38,1263 1.344,1264 1.513,1265 1.537,1266 0.706,1267 1.574,1268 1.185,1269 1.115,1270 1.43,1271 1.395,1272 0.617,1273 1.439,1274 4.394,1276 5.72,1278 7.236,1280 8.846,1282 10.509,1284 2.123,1285 5.927,1289 8.915,1290 4.217,1291 2.891,1294 -0.213,1300 43.819,1301 109.486,1302 255.574,1303 347.541,1304 385.193,1305 385.193,1306 385.193,1307 96.769,1308 8.116,1309 96.36,1310 104.74,1311 24,1312 12.804,1313 4.524,1314 3.807,1315 64.495,1316 173,1317 199,1318 0.175,1319 276.211,1320 489.96,1321 665.714,1322 38600,1323 1.5,1324 26.416,1325 0.714,1326 0.604,1327 27.166,1328 22.356,1329 17.725,1330 0.443,1331 0.357,1332 12.49,1333 16.257,1334 11.999,1335 9.929,1336 18.835,1337 14.282,1338 16.543,1339 0.295,1340 0.207,1341 18.252,1342 11.604,1343 12.84,1344 0.183,1345 0.122,1346 14.233,1347 8.553,1348 10.448,1349 0.116,1350 0.069,1351 11.637,1352 6.244,1353 8.57,1354 0.073,1355 0.041,1356 9.679,1357 4.785,1358 0.276,1359 120.773,1360 0.195,1361 33.783,1362 0.482,1363 192,1364 550.398,1365 256.244,1366 587.787,1367 775.42,1368 540,1369 222,1370 503.464,1371 286.977,1372 560.196,1373 807.8,1374 525,1375 5.538} {0 CHEMBL288194,1 1.49,2 23.538,3 6.411,4 41.098,5 193.372,6 7.295,7 0.411,8 4.672,9 4.77,10 4.201,11 4.156,12 5.793,13 4.15,14 5.222,15 5.369,16 4.522,17 4.528,18 6.375,19 4.495,20 5.496,21 5.695,22 4.568,23 4.661,24 6.504,25 4.594,26 5.563,27 5.769,28 4.547,29 4.664,30 6.583,31 4.593,32 5.557,33 5.768,34 4.547,35 4.697,36 6.539,37 4.612,38 5.583,39 5.8,40 4.549,41 4.742,42 6.559,43 4.637,44 5.596,45 5.82,46 4.535,47 4.749,48 6.541,49 4.645,50 5.591,51 5.81,52 4.514,53 4.713,54 6.584,55 4.616,56 0.146,57 1.288,58 20.888,59 9.756,60 25.483,61 11.922,62 0.793,63 2.055,64 39.952,65 15.734,66 95.632,67 19.914,68 0.949,69 2.501,70 56.038,71 20.563,72 106.2,73 26.967,74 1.189,75 2.576,76 61.584,77 21.356,78 135.017,79 27.814,80 1.204,81 2.625,82 60.672,83 21.828,84 126.874,85 28.935,86 1.413,87 2.734,88 62.147,89 22.916,90 133.251,91 30.984,92 1.029,93 2.782,94 62.821,95 23.173,96 120.594,97 31.372,98 1.088,99 2.73,100 62.945,101 22.373,102 134.006,103 29.951,104 35,105 73,106 0.217,107 0.545,108 0.756,109 0.87,110 0.892,111 0.901,112 3.972,113 0.943,114 -4.37,115 -4.31,116 -4.06,118 40.8,120 7,121 1,124 5,126 1,127 1,133 2,140 11,141 3,142 4,143 1,149 1,154 2,156 1,163 2,167 2,168 19,169 2,171 2,172 13,175 2,177 4,180 17,181 3,185 2,186 18,191 5,194 11,195 2,198 16,199 1,201 1,203 4,206 11,207 1,209 2,210 9,211 1,213 1,215 2,218 19,219 1,221 4,222 8,225 2,227 3,229 25,230 2,233 1,234 8,239 5,242 26,243 1,246 1,247 9,248 3,252 4,255 21,256 2,258 3,259 11,262 3,264 3,267 12,268 2,270 7694,271 35.501,272 35.501,273 35.501,274 35.501,275 35.501,276 32.066,277 37.313,278 21.87,279 36.218,280 27.708,281 27.708,282 27.708,283 27.708,284 27.708,285 22.627,286 38.388,287 10.477,288 28.878,289 5.124,290 2.872,291 1.427,292 0.64,293 0.49,294 0.429,295 4.674,301 2611,302 5.244,305 179.923,306 847.37,313 3.456,314 66.067,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 115,326 1224,327 4.334,328 3.607,329 6.681,330 4.109,331 3.139,332 3.968,333 2.341,334 10.786,335 3.041,336 4.32,337 3.597,338 6.228,339 3.919,340 2.955,341 3.856,342 1.902,343 9.344,344 2.853,345 4.125,346 3.585,347 6.129,348 3.8,349 2.811,350 3.689,351 1.437,352 8.997,353 2.78,354 3.922,355 3.203,356 5.803,357 3.5,358 2.556,359 3.479,360 0.869,361 7.778,362 2.413,363 3.843,364 3.189,365 5.659,366 3.449,367 2.501,368 3.197,369 0.86,370 7.399,371 2.395,372 3.737,373 2.858,374 5.352,375 3.439,376 2.489,377 2.972,378 0.86,379 6.996,380 2.311,381 3.57,382 2.664,383 5.323,384 3.306,385 2.346,386 2.737,387 0.86,388 6.89,389 2.24,390 3.535,391 2.602,392 4.66,393 3.236,394 2.231,395 2.694,396 0.22,397 5.184,398 2.212,399 3.124,400 2.345,401 4.564,402 2.857,403 1.89,404 2.204,406 4.551,407 1.833,408 3.002,409 2.165,410 4.471,411 2.699,412 1.729,413 2.117,415 4.544,416 1.676,417 2.874,418 2.035,419 4.359,420 2.626,421 1.698,422 2.024,424 4.123,425 1.555,426 2.842,427 2,428 3.868,429 2.496,430 1.537,431 1.903,433 3.66,434 1.47,435 2.815,436 1.901,437 3.813,438 2.44,439 1.468,440 1.85,442 3.168,443 1.419,444 2.798,445 1.77,446 3.798,447 2.391,448 1.414,449 1.827,451 3.099,452 1.374,453 2.689,454 1.599,455 3.631,456 2.373,457 1.413,458 1.729,460 3.032,461 1.344,462 24.133,463 0.464,464 0.976,465 0.019,466 61,467 1.173,468 28,469 0.538,470 33,471 0.635,472 54.746,473 1.053,474 58.667,475 0.599,476 55.815,477 1.073,478 12.213,479 0.235,480 13.155,481 0.253,482 0.069,484 0.265,487 0.871,488 1.31,489 0.821,490 1.196,491 0.785,492 1.03,493 0.948,494 1.133,495 0.994,496 1.131,497 0.543,498 1.077,499 1.009,500 1.041,501 0.975,502 1.073,503 0.794,504 1.026,505 1.226,506 0.999,507 1.063,508 1.019,509 0.932,510 1.01,511 0.997,512 0.98,513 1.007,514 1.009,515 0.724,516 1.014,517 0.754,518 0.973,519 0.974,520 1.007,521 0.642,522 1.038,523 0.859,524 1.007,525 0.974,526 1.022,527 0.782,528 1.026,529 1.042,530 1.032,531 1.063,532 1.044,533 1.022,534 1.059,535 8,536 0.334,537 4.889,538 2.222,539 1.956,540 1.622,541 1.057,542 0.545,543 0.524,544 0.433,545 68837,546 197348,547 2.071,548 46.9,549 8,550 24,551 2,552 2,553 3,554 2,555 4,556 1,558 1.855,559 1.975,560 4.432,561 0.637,567 146.061,568 1.49,569 3.743,570 5.188,571 5.974,572 6.125,573 6.186,574 3.866,575 5.393,576 5.673,577 4.707,578 6241.7,579 10.063,580 154353,585 648.242,586 1.226,587 5.648,588 0.143,589 0.006,590 0.067,591 0.03,592 0.028,593 0.023,594 0.015,595 0.008,596 0.008,597 0.007,598 0.333,599 0.17,600 0.5,601 1.163,602 330.774,603 -0.065,604 -0.113,605 0.037,606 -0.048,607 -0.07,608 0.005,609 0.031,610 -0.022,611 -0.061,612 -0.071,613 0.142,614 -0.082,615 -0.036,616 -0.037,617 -0.003,618 -0.055,619 -0.015,620 -0.025,621 -0.12,622 -0.03,623 -0.058,624 -0.025,625 -0.062,626 -0.027,627 -0.026,628 0.004,629 -0.027,630 -0.001,631 -0.006,632 -0.013,633 0.106,634 0.014,635 -0.011,636 0.011,637 0.04,638 -0.022,639 -0.036,640 -0.02,641 -0.015,642 -0.005,643 -0.045,644 -0.006,645 -0.104,646 -0.046,647 -0.084,648 -0.043,649 -0.119,650 -0.058,651 2.691,652 4.59,653 0.558,654 99.037,655 1.009,656 1.125,657 3.142,658 9.875,659 0.646,660 4.043,661 4.304,662 4.522,663 4.727,664 4.927,665 5.011,666 5.13,667 5.209,668 5.323,669 5.421,670 13.723,671 0.62,672 714.88,673 4.043,674 5.557,675 6.375,676 7.217,677 8.056,678 8.908,679 9.758,680 10.616,681 11.473,682 12.337,683 2,691 1,693 1,699 14,700 1,704 7,705 1,706 23,714 1,721 1,722 3,724 98,726 26,727 3,728 56,730 102,731 40,733 21,734 7,735 11,736 1,739 5,740 5,748 1,749 1,751 8,753 25,754 15,755 1,756 3,761 2,763 2,765 2,772 46,773 11,774 3,775 12,778 1,779 2,784 1,785 10,801 1,802 4,818 1,822 2,830 2,831 2,832 5,840 52,845 3,846 12,848 5,850 3,862 10.2,864 3,865 2,866 2,867 3,869 26.333,870 16.75,871 11.75,872 5.954,874 3.827,875 1.428,876 0.919,877 15.579,878 12.765,879 4.27,880 4.76,881 5.218,882 5.677,883 6.084,884 6.189,885 6.419,886 6.582,887 6.88,888 7.2,889 1,890 74,891 19.342,893 8.155,894 7.875,895 36.619,897 29.542,899 2.375,900 123.5,904 506.157,905 215.588,906 18.685,908 233.339,911 215.588,912 739.497,913 18.685,915 38.217,916 132.598,917 251.106,918 69.233,919 23.542,920 459.073,922 506.157,923 234.273,924 233.339,927 447.302,928 270.195,929 22,930 0.36,931 57.782,932 140.393,933 35.738,935 506.157,936 252.024,937 215.588,940 506.517,941 65.324,942 151.804,944 250.125,945 506.157,946 252.024,947 215.588,949 0.563,950 0.315,951 0.164,952 0.088,953 28,954 13,955 0.206,956 21,958 1,959 6.245,960 511.305,962 29,963 292.423,968 39.035,969 20.753,970 12.483,972 250.125,973 24.635,974 4.018,978 3.484,979 1.896,980 128.05,981 973.769,982 70.5,987 22.312,989 3.813,991 -1.856,994 98.916,995 110.225,996 0.225,997 0.566,998 0.784,999 0.903,1000 0.926,1001 0.935,1002 5.484,1003 2.231,1004 6.315,1005 6.89,1006 4.99,1007 5.449,1008 3.261,1009 7.05,1010 4.911,1011 6.633,1012 1.89,1013 7.824,1014 5.184,1015 4.369,1016 5.017,1017 2.521,1018 7.828,1019 4.261,1020 7.894,1021 1.729,1022 9.436,1023 4.551,1024 6.503,1025 7.481,1026 4.237,1027 10.915,1028 6.355,1029 9.19,1030 1.698,1031 11.116,1032 4.544,1033 6.758,1034 7.914,1035 4.358,1036 12.59,1037 6.58,1038 10.519,1039 1.537,1040 12.839,1041 4.123,1042 8.294,1043 9.808,1044 5.564,1045 15.171,1046 8.085,1047 11.872,1048 1.468,1049 14.594,1050 3.66,1051 8.972,1052 10.652,1053 6.075,1054 17.215,1055 8.733,1056 13.243,1057 1.414,1058 16.372,1059 3.168,1060 10.254,1061 12.293,1062 7.07,1063 19.631,1064 9.988,1065 3.139,1066 1.413,1067 18.166,1068 3.099,1069 11.146,1070 13.352,1071 7.759,1072 21.838,1073 10.849,1074 2.955,1075 10.786,1076 19.974,1077 3.032,1078 12.317,1079 14.865,1080 8.663,1081 24.201,1082 11.995,1083 2.811,1084 9.344,1085 21.792,1086 3.968,1087 13.317,1088 16.043,1089 9.435,1090 26.485,1091 12.964,1092 2.556,1093 8.997,1094 23.618,1095 3.856,1096 14.445,1097 17.487,1098 10.303,1099 28.835,1100 14.066,1101 2.501,1102 7.778,1103 25.451,1104 3.689,1105 15.499,1106 18.736,1107 11.114,1108 31.157,1109 15.091,1110 2.489,1111 7.399,1112 27.29,1113 3.479,1114 16.613,1115 20.141,1116 11.968,1117 33.508,1118 16.177,1119 2.346,1120 6.996,1121 29.135,1122 3.197,1123 17.696,1124 21.432,1125 12.798,1126 35.85,1127 17.23,1128 65309,1129 110809,1130 37.849,1131 63.307,1132 81.733,1133 82.776,1134 82.168,1135 80.842,1136 80.833,1137 100.787,1138 18.697,1139 216.374,1140 77.496,1141 5.334,1142 5.607,1143 6.57,1144 5.21,1145 5.139,1146 6.968,1147 3.925,1148 17.864,1149 5.041,1150 24.944,1151 1.46,1152 1.478,1153 1.467,1154 1.444,1155 1.443,1156 1.8,1157 0.334,1158 3.864,1159 1.384,1160 4.03,1161 4.056,1162 3.967,1163 3.925,1164 7.477,1165 3.93,1166 3.952,1167 3.989,1168 3.902,1169 3.847,1170 7.472,1171 3.856,1172 3.894,1173 3.929,1174 3.839,1175 3.822,1176 6.469,1177 3.821,1178 3.889,1179 3.911,1180 3.83,1181 3.697,1182 6.352,1183 3.725,1184 3.764,1185 3.804,1186 3.657,1187 3.66,1188 6.35,1189 3.651,1190 3.729,1191 3.786,1192 3.577,1193 3.6,1194 4.974,1195 3.583,1196 3.624,1197 3.656,1198 3.518,1199 3.456,1200 4.91,1201 3.461,1202 3.456,1203 3.507,1204 3.347,1205 3.261,1206 4.872,1207 3.261,1208 0.077,1209 0.064,1210 0.119,1211 0.073,1212 0.056,1213 4.334,1214 0.071,1215 3.607,1216 0.042,1217 6.681,1218 0.193,1219 4.109,1220 0.054,1221 3.139,1222 3.968,1223 2.341,1224 10.786,1225 3.041,1226 1.946,1227 1.927,1228 2.066,1229 2.068,1230 1.366,1231 2.065,1232 1.891,1233 1.88,1234 2.021,1235 2.015,1236 1.356,1237 2.007,1238 1.882,1239 1.862,1240 1.984,1241 1.979,1242 1.147,1243 1.984,1244 1.764,1245 1.723,1246 1.956,1247 1.905,1248 1.118,1249 1.927,1250 1.739,1251 1.68,1252 1.948,1253 1.894,1254 1.108,1255 1.914,1256 1.629,1257 1.562,1258 1.824,1259 1.86,1260 1.052,1261 1.852,1262 1.583,1263 1.544,1264 1.798,1265 1.779,1266 1.014,1267 1.782,1268 1.433,1269 1.373,1270 1.719,1271 1.655,1272 1.005,1273 1.676,1274 4.727,1276 6.004,1277 2.398,1278 7.461,1279 4.443,1280 9.01,1281 6.26,1282 10.613,1289 28.889,1290 7.081,1292 30.314,1294 -1.086,1300 60.78,1301 146.061,1302 366.786,1303 508.413,1304 585.487,1305 600.242,1306 606.242,1307 144.584,1308 8.938,1309 158.8,1310 158.8,1311 29,1312 12.887,1313 4.755,1314 3.954,1315 97.07,1316 442,1317 380,1318 0.103,1319 370.065,1320 668.1,1321 894.718,1322 147339,1324 36.547,1325 0.703,1326 0.559,1327 36.547,1328 29.049,1329 25.368,1330 0.453,1331 0.314,1332 17.316,1333 24.202,1334 17.068,1335 14.069,1336 25.368,1337 17.603,1338 21.853,1339 0.299,1340 0.171,1341 21.853,1342 12.476,1343 17.453,1344 0.192,1345 0.095,1346 17.453,1347 8.608,1348 13.895,1349 0.124,1350 0.052,1351 13.895,1352 5.804,1353 10.885,1354 0.079,1355 0.029,1356 10.885,1357 3.906,1358 0.173,1359 160.658,1360 0.163,1361 46.152,1362 0.252,1363 258,1364 853.888,1365 291.085,1366 790.249,1367 1048.13,1368 740,1369 293,1370 732.657,1371 324.765,1372 728.335,1373 1062.7,1374 685,1375 7.398} {0 CHEMBL288420,1 1.524,2 7.96,3 2.795,4 7.809,5 94.994,6 8.107,7 0.607,8 3.839,9 3.929,10 3.482,11 3.428,12 5.034,13 3.427,14 4.327,15 4.454,16 3.83,17 3.819,18 5.571,19 3.8,20 4.564,21 4.715,22 3.917,23 4.001,24 5.666,25 3.95,26 4.665,27 4.838,28 3.871,29 4.006,30 5.752,31 3.938,32 4.672,33 4.865,34 3.846,35 3.993,36 5.683,37 3.915,38 4.653,39 4.852,40 3.847,41 3.929,42 5.763,43 3.856,44 4.62,45 4.818,46 3.822,47 3.867,48 5.766,49 3.816,50 4.572,51 4.779,52 3.558,53 3.648,54 5.81,55 3.577,56 0.05,57 0.546,58 6.929,59 3.631,60 9.352,61 4.131,62 0.272,63 0.901,64 12.918,65 5.818,66 35.221,67 6.748,68 0.16,69 1.084,70 17.29,71 8.27,72 23.541,73 10.001,74 0.277,75 1.178,76 20.927,77 9.205,78 40.625,79 11.108,80 0.247,81 1.203,82 21.693,83 9.421,84 35.136,85 11.881,86 0.466,87 1.196,88 21.877,89 8.899,90 43.444,91 11.546,92 0.251,93 1.166,94 20.954,95 8.326,96 37.004,97 10.415,98 0.55,99 1.068,100 21.919,101 7.625,102 67.224,103 9.085,104 6,105 39,106 0.264,107 0.631,108 0.812,109 0.895,110 0.912,111 0.912,112 3.269,113 0.854,114 -4.22,115 -4.16,116 -3.93,118 48.8,124 2,133 1,134 1,140 7,141 4,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 13,169 1,171 1,172 5,175 1,177 1,180 16,181 2,186 8,191 2,194 15,195 2,198 9,203 2,206 13,207 1,210 6,211 1,215 1,218 11,219 2,221 2,222 8,225 1,227 2,229 7,230 2,234 7,235 1,239 2,242 3,243 2,246 2,247 6,250 1,252 2,256 1,259 3,260 1,264 1,270 950,271 17.206,272 17.206,273 17.206,274 17.206,275 17.206,276 14.807,277 16.991,278 10.213,279 17.509,280 13.837,281 13.837,282 13.837,283 13.837,284 13.837,285 10.238,286 21.133,287 4.842,288 14.311,289 3.834,290 1.719,291 0.674,292 0.195,293 0.098,294 0.098,295 3.969,298 1,299 1,300 1,301 434,302 2.915,305 54.142,306 94.333,307 53.862,311 175.032,313 1.091,314 22.772,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 54,326 199,327 4.557,328 3.585,329 6.809,330 4.198,331 3.209,332 4.206,333 1.437,334 11.266,335 3.175,336 4.17,337 3.32,338 6.137,339 3.78,340 2.782,341 3.787,342 1.151,343 8.959,344 2.77,345 3.927,346 2.789,347 5.823,348 3.476,349 2.542,350 3.484,351 0.522,352 7.816,353 2.44,354 3.833,355 2.721,356 5.374,357 3.436,358 2.465,359 3.228,361 7.025,362 2.318,363 3.478,364 2.451,365 5.24,366 3.076,367 2.125,368 2.739,370 6.297,371 2.012,372 2.932,373 1.947,374 4.264,375 2.49,376 1.501,377 2.101,379 3.648,380 1.482,381 2.776,382 1.635,383 3.937,384 2.296,385 1.345,386 1.841,388 3.304,389 1.285,390 2.736,391 1.502,392 3.76,393 2.287,394 1.295,395 1.793,397 2.922,398 1.275,399 2.719,400 1.318,401 3.61,402 2.254,403 1.258,404 1.773,406 2.913,407 1.231,408 2.466,409 1.034,410 3.427,411 1.892,412 0.92,413 1.379,415 2.25,416 0.892,417 2.118,418 0.996,419 3.2,420 1.6,421 0.675,422 0.927,424 1.583,425 0.617,426 1.941,427 0.618,428 3,429 1.553,430 0.618,431 0.82,433 1.372,434 0.577,435 1.352,436 0.468,437 2.847,438 1.098,439 0.14,440 0.165,442 0.35,443 0.133,444 1.185,445 0.382,446 2.662,447 0.855,448 -0.114,449 -0.139,451 -0.291,452 -0.109,453 0.744,454 0.177,455 2.323,456 0.289,457 -0.683,458 -0.893,460 -1.698,461 -0.653,462 11.8,463 0.472,464 0.538,465 0.022,466 35.75,467 1.43,468 19.5,469 0.78,470 16.25,471 0.65,472 16.917,473 0.677,474 25.4,475 0.62,476 26.483,477 1.059,478 7.386,479 0.295,480 4.834,481 0.193,482 0.056,484 0.331,487 0.811,488 1.156,489 0.706,490 0.96,491 0.718,492 0.841,493 0.835,494 0.855,495 0.881,496 0.851,497 0.476,498 0.857,499 0.799,500 1.004,501 0.926,502 1.086,503 0.618,504 1.041,505 1.009,506 1.005,507 1.054,508 1.073,509 0.905,510 1.079,511 0.813,512 1.048,513 0.965,514 1.068,515 0.704,516 1.056,517 0.606,518 1.048,519 0.896,520 1.009,521 0.527,522 1.01,523 0.986,524 1.133,525 0.949,526 1.072,527 1.018,528 1.011,529 1.462,530 1.015,531 1.266,532 1.006,533 1.775,534 1.087,535 4,536 0.04,537 2.889,538 1.41,539 1.306,540 0.861,541 0.594,542 0.342,543 0.198,544 0.1,545 6559,546 19281,547 2.154,548 39,550 12,551 1,552 2,553 1,558 1.69,559 2.055,560 3,561 -0.356,562 1,563 1,565 1,567 62.466,568 1.524,569 3.639,570 4.683,571 5.162,572 5.26,573 5.26,574 2.419,575 4.324,576 4.614,577 3.166,578 949.897,579 8.032,580 11244.3,581 1,582 1,584 1,585 219.66,586 1.26,587 4.592,588 0.143,589 0.01,590 0.074,591 0.034,592 0.033,593 0.023,594 0.016,595 0.01,596 0.008,597 0.008,598 0.358,599 0.5,600 1,601 0.663,602 117.436,603 -0.064,604 -0.119,605 0.038,606 -0.015,607 -0.088,608 0.02,609 0.037,610 0.207,611 -0.057,612 0.085,613 0.154,614 0.02,615 -0.045,616 -0.046,617 -0.063,618 -0.097,619 0.015,620 -0.083,621 -0.11,622 -0.066,623 -0.123,624 -0.079,625 -0.087,626 -0.1,627 -0.038,628 -0.107,629 -0.018,630 -0.069,631 -0.036,632 -0.048,633 0.239,634 -0.075,635 0.079,636 -0.027,637 0.165,638 -0.011,639 -0.054,640 -0.142,641 0.032,642 -0.107,643 -0.036,644 -0.034,645 -0.092,646 -0.031,647 -0.185,648 -0.052,649 -0.206,650 -0.128,651 2.616,652 4.397,653 0.8,654 19.44,655 1.009,656 1.111,657 2.99,658 8.937,659 0.7,660 3.367,661 3.689,662 3.989,663 4.263,664 4.511,665 4.7,666 4.86,667 4.99,668 5.124,669 5.193,670 5.229,671 0.68,672 332.38,673 3.367,674 4.905,675 5.765,676 6.645,677 7.526,678 8.414,679 9.304,680 10.197,681 11.091,682 11.988,683 4.9,691 1,693 1,699 10,700 1,704 5,705 1,706 17,714 1,722 1,724 41,726 19,727 2,728 28,730 44,731 20,733 15,734 5,735 7,736 3,739 4,740 7,753 18,754 2,756 2,761 1,763 1,765 2,768 1,769 1,772 16,773 4,774 1,775 5,778 1,779 2,784 0.5,785 3,801 1,802 2,803 1,807 2,822 1,823 1,830 1,832 2,840 25,845 1,846 2,848 1,862 7.3,864 1,865 1,867 1,869 12.167,870 7.35,871 5.472,872 2.326,874 3.643,875 1.482,876 0.999,877 4.121,878 11.199,879 3.676,880 4.28,881 4.878,882 5.45,883 5.933,884 6.274,885 6.712,886 7.099,887 7.53,888 7.891,889 1,890 42,891 9.216,893 3.973,894 7.827,895 17.439,897 14.397,899 2.327,900 58.167,903 1,904 176.567,905 131.303,906 18.685,908 78.828,911 131.303,912 255.395,913 18.685,915 6.698,916 84.857,917 117.684,918 43.118,919 11.771,920 141.253,922 176.567,923 149.987,924 78.828,927 176.567,928 78.828,931 26.263,932 97.462,933 26.262,935 176.567,936 97.513,937 131.303,940 176.567,941 28.779,942 104.423,944 95.614,945 176.567,946 97.513,947 131.303,949 0.58,950 0.341,951 0.186,952 0.1,953 20,954 8,955 0.068,956 3,957 2,958 1.2,959 3.644,960 219.173,961 0.2,962 20,963 116.096,968 15.67,969 6.575,970 3.086,972 95.614,973 18.407,974 4.062,978 3.87,979 1.96,980 42.683,981 405.382,982 38.5,987 11.397,989 2.083,991 0.022,994 41.371,995 45.531,996 0.284,997 0.679,998 0.874,999 0.964,1000 0.982,1001 0.982,1002 4.9,1003 1.295,1004 5.74,1005 3.304,1006 4.369,1007 4.966,1008 2.119,1009 6.555,1010 4.311,1011 6.108,1012 1.258,1013 7.298,1014 2.922,1015 3.892,1016 4.663,1018 7.479,1019 3.827,1020 7.413,1021 0.92,1022 8.96,1023 2.913,1024 5.958,1025 7.146,1026 2.578,1027 10.6,1028 5.86,1029 8.756,1030 0.675,1031 10.686,1032 2.25,1033 6.347,1034 7.704,1036 12.388,1037 6.25,1038 10.131,1039 0.618,1040 12.454,1041 1.583,1042 7.84,1043 9.596,1044 3.147,1045 15.02,1046 7.72,1047 11.53,1048 0.14,1049 14.25,1050 1.372,1051 8.623,1052 10.559,1054 17.161,1055 8.507,1056 12.946,1057 -0.114,1058 16.066,1059 0.35,1060 9.891,1061 12.195,1062 3.772,1063 19.641,1064 9.761,1065 3.209,1066 -0.683,1067 17.898,1068 -0.291,1069 10.862,1070 13.366,1072 21.935,1073 10.733,1074 2.782,1075 11.266,1076 19.742,1077 -1.698,1078 12.044,1079 14.884,1080 4.432,1081 24.367,1082 11.905,1083 2.542,1084 8.959,1085 21.595,1086 4.206,1087 13.106,1088 16.166,1090 26.728,1091 12.966,1092 2.465,1093 7.816,1094 23.456,1095 3.787,1096 14.258,1097 17.629,1098 5.115,1099 29.147,1100 14.111,1101 2.125,1102 7.025,1103 25.324,1104 3.484,1105 15.365,1106 18.972,1108 31.539,1109 15.213,1110 1.501,1111 6.297,1112 27.198,1113 3.228,1114 16.511,1115 20.41,1116 5.812,1117 33.955,1118 16.352,1119 1.345,1120 3.648,1121 29.078,1122 2.739,1123 17.641,1124 21.787,1126 36.362,1127 17.475,1128 6229,1129 10787,1130 19.186,1131 28.705,1132 42.305,1133 42.795,1134 42.425,1135 41.709,1136 41.747,1137 56.487,1138 6.218,1139 119.408,1140 40.414,1141 5.391,1142 5.585,1143 6.492,1144 5.263,1145 5.209,1146 7.206,1147 2.873,1148 18.627,1149 5.175,1150 8.963,1151 1.511,1152 1.528,1153 1.515,1154 1.49,1155 1.491,1156 2.017,1157 0.222,1158 4.265,1159 1.443,1160 4.067,1161 4.089,1162 4.024,1163 4.003,1164 7.475,1165 4.005,1166 3.894,1167 3.954,1168 3.837,1169 3.765,1170 6.351,1171 3.762,1172 3.822,1173 3.842,1174 3.767,1175 3.692,1176 4.968,1177 3.72,1178 3.409,1179 3.441,1180 3.345,1181 3.301,1182 4.882,1183 3.301,1184 3.307,1185 3.322,1186 3.221,1187 3.081,1188 4.633,1189 3.109,1190 3.117,1191 3.144,1192 2.996,1193 2.91,1194 4.269,1195 2.928,1196 2.889,1197 2.96,1198 2.738,1199 2.751,1200 4.14,1201 2.737,1202 2.756,1203 2.82,1204 2.607,1205 2.629,1206 3.652,1207 2.615,1208 0.163,1209 0.128,1210 0.243,1211 0.15,1212 0.115,1213 4.557,1214 0.15,1215 3.585,1216 0.051,1217 6.809,1218 0.402,1219 4.198,1220 0.113,1221 3.209,1222 4.206,1223 1.437,1224 11.266,1225 3.175,1226 1.98,1227 1.963,1228 2.064,1229 2.041,1230 1.244,1231 2.049,1232 1.87,1233 1.853,1234 1.969,1235 1.968,1236 1.097,1237 1.968,1238 1.621,1239 1.562,1240 1.788,1241 1.829,1242 0.96,1243 1.819,1244 1.323,1245 1.275,1246 1.5,1247 1.528,1248 0.61,1249 1.52,1250 1.237,1251 1.204,1252 1.453,1253 1.502,1254 0.528,1255 1.461,1256 1.203,1257 1.151,1258 1.367,1259 1.391,1260 0.374,1261 1.398,1262 1.01,1263 0.985,1264 1.177,1265 1.279,1266 0.186,1267 1.255,1268 0.802,1269 0.731,1270 1.107,1271 1.003,1272 0.167,1273 1.045,1274 4.043,1276 5.361,1277 2.398,1278 6.87,1279 4.595,1280 8.469,1281 6.605,1282 10.119,1289 9.346,1290 1.096,1292 5.924,1300 27.875,1301 62.466,1302 149.2,1303 192.008,1304 211.66,1305 215.66,1306 215.66,1307 35.867,1308 7.556,1309 64.35,1310 64.35,1311 24,1312 12.513,1313 4.322,1314 3.524,1315 35.504,1316 74,1317 79,1318 0.227,1319 169.347,1320 294.39,1321 404.967,1322 19471,1324 17.225,1325 0.689,1326 0.537,1327 17.225,1328 13.423,1329 12.22,1330 0.436,1331 0.285,1332 7.861,1333 11.776,1334 7.707,1335 6.366,1336 12.22,1337 7.969,1338 10.919,1339 0.28,1340 0.15,1341 10.919,1342 5.839,1343 9.39,1344 0.177,1345 0.081,1346 9.39,1347 4.273,1348 7.85,1349 0.112,1350 0.043,1351 7.85,1352 3.02,1353 6.303,1354 0.07,1355 0.023,1356 6.303,1357 2.081,1358 0.34,1359 76.497,1360 0.228,1361 23.634,1362 0.677,1363 134,1364 404.911,1365 145.496,1366 390.925,1367 533.86,1368 366,1369 159,1370 390.051,1371 170.333,1372 397.264,1373 580.74,1374 373,1375 4.77} {0 CHEMBL288473,1 1.662,2 7.833,3 1.706,4 2.91,5 63.999,6 8.652,7 0.75,8 3.492,9 3.573,10 3.179,11 3.022,12 4.757,13 3.054,14 3.956,15 4.074,16 3.536,17 3.392,18 5.318,19 3.412,20 4.102,21 4.244,22 3.408,23 3.423,24 5.368,25 3.38,26 4.132,27 4.343,28 3.25,29 3.33,30 5.215,31 3.274,32 3.879,33 4.066,34 3.146,35 3.179,36 5.054,37 3.128,38 3.901,39 4.095,40 3.028,41 3.018,42 5.141,43 2.988,44 3.554,45 3.753,46 2.727,47 2.714,48 4.69,49 2.678,50 3.364,51 3.543,52 2.523,53 2.31,54 4.7,55 2.331,56 0.1,57 0.4,58 4.159,59 2.369,60 9.209,61 2.405,62 0.28,63 0.638,64 7.724,65 3.634,66 30.324,67 3.839,68 0.403,69 0.672,70 10.251,71 4.837,72 30.22,73 5.478,74 0.354,75 0.683,76 13.488,77 5.012,78 37.015,79 6.126,80 0.164,81 0.554,82 8.912,83 4.015,84 11.335,85 5.073,86 0.354,87 0.529,88 10.569,89 3.666,90 34.647,91 4.182,92 0.176,93 0.378,94 7.176,95 2.736,96 22.277,97 3.342,98 0.339,99 0.282,100 6.656,101 1.862,102 29.019,103 1.939,104 6,105 28,106 0.315,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.96,113 0.816,114 -2.47,115 -2.5,116 -2.44,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 4,173 1,175 1,180 5,181 1,185 1,186 5,189 1,191 1,194 4,195 1,198 5,203 1,206 1,207 2,210 5,215 2,219 2,221 1,222 4,227 2,234 1,235 1,246 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.199,279 12.353,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.468,288 10.188,289 3.146,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 18.676,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 40,326 141,327 4.518,328 3.588,329 6.339,330 4.059,331 3.059,332 4.455,333 1.437,334 9.768,335 3.056,336 4.005,337 3.022,338 5.745,339 3.619,340 2.658,341 3.534,342 0.522,343 7.828,344 2.571,345 3.834,346 2.746,347 5.518,348 3.397,349 2.428,350 3.292,352 7.24,353 2.329,354 3.474,355 2.242,356 5.003,357 3.036,358 2.054,359 2.821,361 5.926,362 2.003,363 3.028,364 1.657,365 4.41,366 2.528,367 1.528,368 2.288,370 4.3,371 1.527,372 2.637,373 1.505,374 3.709,375 2.129,376 1.185,377 1.652,379 2.682,380 1.111,381 2.554,382 1.226,383 3.431,384 2.028,385 1.039,386 1.509,388 2.491,389 1.013,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.95,400 0.537,401 3,402 1.47,403 0.475,404 0.692,406 1.211,407 0.472,408 1.142,409 0.424,410 2.726,411 0.791,412 -0.178,413 -0.228,415 -0.512,416 -0.171,417 0.686,418 0.003,419 2.25,420 0.218,421 -0.774,422 -1.05,424 -2,425 -0.756,426 0.479,427 -0.703,428 2,429 0.02,430 -0.96,431 -1.292,433 -2.203,434 -0.938,435 0.465,436 -0.896,437 1.868,439 -1,440 -1.393,442 -2.666,443 -0.965,444 0.064,445 -1.16,446 1.384,447 -0.291,448 -1.274,449 -1.748,451 -3.496,452 -1.289,453 -0.095,454 -1.342,455 1.288,456 -0.551,457 -1.51,458 -1.984,460 -4.17,461 -1.433,462 8.3,463 0.461,464 0.452,465 0.025,466 25.75,467 1.431,468 13.5,469 0.75,470 12.25,471 0.681,472 9.827,473 0.546,474 18.7,475 0.668,476 16.369,477 0.909,478 5.376,479 0.299,480 3.344,481 0.186,482 0.08,484 0.349,487 0.853,488 1.282,489 0.662,490 1.011,491 0.731,492 0.833,493 0.761,494 0.909,495 0.798,496 0.892,497 0.425,498 0.839,499 0.695,500 1.1,501 1.086,502 1.204,503 0.607,504 1.25,505 0.934,506 0.858,507 0.992,508 0.894,509 0.831,510 0.941,511 0.56,512 1.22,513 0.848,514 1.226,515 0.549,516 1.145,517 1.224,518 0.935,519 1.158,520 0.938,521 1.33,522 1.01,523 0.943,524 1.178,525 0.976,526 1.146,527 0.988,528 1.09,529 1.637,530 0.646,531 1.293,532 0.662,533 1.841,534 0.853,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 10010,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.583,559 2,560 3.005,561 -0.225,563 1,565 1,567 46.526,568 1.662,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.113,604 -0.217,605 0.025,606 -0.06,607 -0.111,609 0.046,610 0.187,611 -0.027,612 0.033,613 0.194,614 0.009,615 0.157,616 -0.153,617 -0.211,618 -0.217,619 0.094,620 -0.295,621 -0.105,622 0.069,623 0.04,624 0.1,625 -0.059,626 0.114,627 0.056,628 -0.278,629 0.079,630 -0.228,631 0.1,632 -0.105,633 -0.157,634 0.005,635 -0.106,636 0.02,637 -0.193,638 -0.019,639 -0.066,640 -0.259,641 0.055,642 -0.167,643 -0.108,644 -0.056,645 -0.028,646 0.3,647 -0.122,648 0.246,649 -0.306,650 0.058,651 2.72,652 3.806,653 0.778,654 13.136,655 1.026,656 1.117,657 1.239,658 1.535,659 0.694,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.689,672 242.25,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 7.1,691 1,693 1,698 2,699 7,700 1,702 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,771 1,772 10,773 4,774 1,775 5,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,840 18,845 1,846 1,862 10.7,864 1,865 1,867 1,869 9,870 5.017,871 3.889,872 1.514,874 2.882,875 1.444,876 0.982,877 2.647,878 9.371,879 3.384,880 4.034,881 4.642,882 5.27,883 5.714,884 6.11,885 6.505,886 6.958,887 7.073,888 7.316,889 1,890 23,891 6.6,893 2.846,894 8.019,895 12.244,897 9.95,899 2.519,900 45.333,901 0.001,904 105.94,905 83.678,906 18.685,908 77.336,911 83.678,912 183.276,913 18.685,915 2.106,916 46.952,917 117.684,918 26.212,919 22.056,920 70.627,922 105.94,923 102.362,924 77.336,927 105.94,928 77.336,931 21.671,932 63.906,933 16.786,935 105.94,936 96.02,937 83.678,940 105.94,941 19.059,942 66.518,944 94.121,945 105.94,946 96.02,947 83.678,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,968 11.05,969 4.312,970 2.181,971 1.381,972 94.121,973 12.495,974 3.975,976 5.201,978 1.031,979 1.944,980 42.683,981 285.638,982 28.5,987 10.806,991 -1.053,994 28.72,995 31.286,996 0.346,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.997,1011 5.819,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.559,1020 7.13,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.983,1026 2.269,1027 10.044,1028 5.532,1029 8.479,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.672,1036 11.651,1037 5.916,1038 9.858,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.54,1044 2.925,1045 14.208,1046 7.356,1047 11.258,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.638,1054 16.168,1055 8.114,1056 12.675,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 12.277,1062 3.619,1063 18.54,1064 9.346,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 13.579,1072 20.666,1073 10.284,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 15.124,1080 4.33,1081 22.97,1082 11.432,1083 2.428,1084 7.828,1085 20.817,1086 4.455,1087 12.544,1088 16.524,1090 25.174,1091 12.457,1092 2.054,1093 7.24,1094 22.612,1095 3.534,1096 13.661,1097 18.033,1098 5.047,1099 27.455,1100 13.576,1101 1.528,1102 5.926,1103 24.413,1104 3.292,1105 14.723,1106 19.481,1108 29.696,1109 14.643,1110 1.185,1111 4.3,1112 26.219,1113 2.821,1114 15.829,1115 20.977,1116 5.769,1117 31.971,1118 15.752,1119 1.039,1120 2.682,1121 28.028,1122 2.288,1123 16.914,1124 22.447,1126 34.23,1127 16.842,1128 2864,1129 5379,1130 13.523,1131 19.421,1132 30.587,1133 30.79,1134 30.235,1135 30.088,1136 30.089,1137 42.343,1138 3.916,1139 85.638,1140 29.32,1141 5.288,1142 5.588,1143 5.954,1144 5.103,1145 5.059,1146 7.455,1147 2.873,1148 16.235,1149 5.056,1150 7.237,1151 1.529,1152 1.539,1153 1.512,1154 1.504,1155 1.504,1156 2.117,1157 0.196,1158 4.282,1159 1.466,1160 4.118,1161 4.13,1162 4.085,1163 4.02,1164 7.475,1165 4.033,1166 3.89,1167 3.947,1168 3.838,1169 3.68,1170 6.351,1171 3.712,1172 3.506,1173 3.513,1174 3.457,1175 3.348,1176 5.1,1177 3.369,1178 3.127,1179 3.141,1180 3.058,1181 2.892,1182 4.948,1183 2.915,1184 2.963,1185 3.013,1186 2.834,1187 2.801,1188 4.334,1189 2.818,1190 2.669,1191 2.73,1192 2.521,1193 2.407,1194 3.816,1195 2.42,1196 2.464,1197 2.564,1198 2.257,1199 2.247,1200 3.62,1201 2.24,1202 2.222,1203 2.305,1204 2.047,1205 2.006,1206 3.332,1207 2.006,1208 0.226,1209 0.179,1210 0.317,1211 0.203,1212 0.153,1213 4.518,1214 0.223,1215 3.588,1216 0.072,1217 6.339,1218 0.488,1219 4.059,1220 0.153,1221 3.059,1222 4.455,1223 1.437,1224 9.768,1225 3.056,1226 1.948,1227 1.928,1228 2.041,1229 2.035,1230 1.219,1231 2.037,1232 1.526,1233 1.499,1234 1.676,1235 1.745,1236 0.843,1237 1.722,1238 1.48,1239 1.454,1240 1.562,1241 1.722,1242 0.569,1243 1.663,1244 1.295,1245 1.227,1246 1.469,1247 1.525,1248 0.436,1249 1.513,1250 0.971,1251 0.937,1252 1.166,1253 1.191,1254 0.218,1255 1.171,1256 0.89,1257 0.857,1258 1.114,1259 1.148,1260 0.073,1261 1.141,1262 0.504,1263 0.485,1264 0.827,1265 0.889,1267 0.867,1268 0.403,1269 0.295,1270 0.77,1271 0.687,1273 0.742,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 8.856,1290 0.698,1300 19.294,1301 46.526,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 22.764,1308 6.489,1309 68.26,1310 68.26,1311 16,1312 12.073,1313 4.087,1314 3.248,1315 25.846,1316 54,1317 40,1318 0.252,1319 118.376,1320 193.57,1321 280.598,1322 4778,1324 12.535,1325 0.696,1326 0.523,1327 12.535,1328 9.407,1329 8.72,1330 0.436,1331 0.272,1332 5.335,1333 8.289,1334 5.249,1335 4.338,1336 8.72,1337 5.437,1338 8.061,1339 0.288,1340 0.144,1341 8.061,1342 4.023,1343 6.544,1344 0.182,1345 0.075,1346 6.544,1347 2.716,1348 5.373,1349 0.114,1350 0.04,1351 5.373,1352 1.888,1353 3.993,1354 0.074,1355 0.022,1356 3.993,1357 1.166,1358 0.388,1359 55.406,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 332.911,1365 108.16,1366 316.412,1367 425.38,1368 294,1369 112,1370 310.869,1371 124.385,1372 312.534,1373 454.17,1374 292,1375 7.469} {0 CHEMBL28848,1 1.61,2 13.568,3 6.394,4 40.882,5 148.315,6 7.929,7 0.45,8 4.294,9 4.392,10 4.019,11 3.925,12 5.352,13 3.863,14 4.848,15 4.998,16 4.33,17 4.332,18 6.088,19 4.243,20 5.148,21 5.34,22 4.406,23 4.517,24 6.173,25 4.39,26 5.252,27 5.462,28 4.35,29 4.533,30 6.272,31 4.393,32 5.265,33 5.479,34 4.373,35 4.531,36 6.287,37 4.397,38 5.262,39 5.481,40 4.392,41 4.551,42 6.288,43 4.414,44 5.326,45 5.578,46 4.297,47 4.569,48 6.176,49 4.406,50 5.306,51 5.558,52 4.347,53 4.541,54 6.193,55 4.381,56 0.097,57 0.92,58 15.975,59 6.983,60 21.977,61 8.454,62 0.399,63 1.52,64 27.472,65 12.047,66 82.12,67 15.27,68 0.341,69 1.986,70 43.88,71 16.935,72 75.329,73 20.941,74 0.467,75 2.171,76 51.656,77 18.858,78 95.631,79 23.117,80 0.526,81 2.147,82 50.353,83 18.564,84 108.379,85 23.135,86 0.502,87 2.164,88 46.966,89 18.492,90 95.828,91 24.341,92 0.373,93 2.329,94 50.249,95 19.81,96 74.621,97 26.785,98 0.334,99 2.285,100 53.066,101 19.918,102 68.094,103 26.32,104 43,105 56,106 0.252,107 0.588,108 0.8,109 0.886,110 0.886,111 0.886,112 3.642,113 1.071,114 -5.3,115 -5.19,116 -4.85,118 42.6,119 1,120 7,126 1,133 2,140 7,141 6,142 2,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 3,175 3,177 3,180 29,181 1,186 7,191 5,194 32,195 1,198 10,203 5,206 26,207 1,210 7,215 3,218 27,219 1,222 10,227 5,229 27,230 1,234 8,239 4,242 23,243 2,247 10,252 4,255 19,256 4,259 12,262 1,264 6,267 16,268 4,270 2991,271 24.523,272 24.523,273 24.523,274 24.523,275 24.523,276 21.539,277 25.217,278 14.613,279 24.902,280 19.771,281 19.771,282 19.771,283 19.771,284 19.771,285 15.25,286 24.251,287 7.02,288 20.449,289 4.477,290 2.329,291 0.977,292 0.423,293 0.423,294 0.423,295 4.334,297 1,300 1,301 1060,302 4.528,306 468.084,310 179.824,313 2.143,314 45.483,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 79.333,326 502,327 4.852,328 4.686,329 7.308,330 4.317,331 3.395,332 4.7,333 2.341,334 12.509,335 3.222,336 4.572,337 3.596,338 6.789,339 4.21,340 3.214,341 4.299,342 0.68,343 11.145,344 3.081,345 3.949,346 3.4,347 5.96,348 3.636,349 2.644,350 3.468,352 8.356,353 2.623,354 3.842,355 2.942,356 5.551,357 3.456,358 2.477,359 3.396,361 7.393,362 2.431,363 3.735,364 2.897,365 5.31,366 3.306,367 2.382,368 3.089,370 6.606,371 2.223,372 3.555,373 2.654,374 5.174,375 3.241,376 2.236,377 2.814,379 6.301,380 2.178,381 3.5,382 2.334,383 5.049,384 3.127,385 2.14,386 2.709,388 5.984,389 2.102,390 3.205,391 2.187,392 4.659,393 2.966,394 1.99,395 2.346,397 5.183,398 1.923,399 3.02,400 1.955,401 4.618,402 2.598,403 1.597,404 2.125,406 4.552,407 1.594,408 2.943,409 1.705,410 4.065,411 2.508,412 1.559,413 2.05,415 3.472,416 1.414,417 2.871,418 1.632,419 3.782,420 2.422,421 1.455,422 1.941,424 3.204,425 1.403,426 2.5,427 1.401,428 3.574,429 2.156,430 1.159,431 1.5,433 2.847,434 1.154,435 2.5,436 1.194,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.271,445 1,446 3.378,447 1.956,448 1,449 1.237,451 2.136,452 0.954,453 2.142,454 1,455 3.247,456 1.855,457 0.854,458 1.026,460 1.938,461 0.852,462 18.181,463 0.491,464 1.033,465 0.028,466 46,467 1.243,468 24,469 0.649,470 22,471 0.595,472 38.314,473 1.036,474 40.019,475 0.589,476 37.941,477 1.025,478 8.632,479 0.233,480 9.093,481 0.246,482 0.14,483 0.046,484 0.275,487 0.568,488 1.16,489 0.744,490 1.086,491 0.664,492 0.932,493 0.454,494 1.074,495 0.775,496 0.975,497 0.431,498 0.99,499 0.878,500 1.077,501 1.036,502 1.068,503 0.824,504 1.053,505 0.984,506 1.071,507 1.106,508 1.129,509 0.981,510 1.078,511 1.015,512 0.998,513 0.801,514 0.931,515 1.149,516 1.01,517 0.547,518 1.082,519 0.755,520 1.022,521 0.596,522 1.078,523 0.525,524 0.983,525 0.707,526 0.898,527 0.489,528 0.992,529 0.531,530 1.011,531 0.795,532 0.971,533 0.468,534 0.958,535 8.5,536 0.305,537 4.222,538 2.813,539 2.342,540 1.472,541 0.909,542 0.686,543 0.611,544 0.454,545 20458,546 62939,547 2.032,548 45.6,549 11,550 10,552 2,553 2,554 2,555 4,558 1.786,559 1.889,560 3.695,561 0.135,567 109.486,568 1.61,569 3.758,570 5.111,571 5.665,572 5.665,573 5.665,574 3.247,575 4.777,576 5.172,577 3.9,578 2597.3,579 9.139,580 42917.4,585 413.947,586 1.556,587 5.128,588 0.213,589 0.007,590 0.075,591 0.048,592 0.043,593 0.027,594 0.016,595 0.013,596 0.011,597 0.009,598 0.462,599 0.17,600 0.88,601 1.411,602 203.886,603 0.045,604 -0.013,605 0.124,607 -0.096,608 0.05,609 0.262,610 0.007,611 0.04,612 0.01,613 0.267,614 -0.019,615 -0.086,616 -0.042,617 -0.077,618 -0.039,619 -0.049,620 -0.059,621 -0.109,622 -0.048,623 -0.135,624 -0.088,625 -0.074,626 -0.084,627 -0.105,628 -0.015,629 -0.002,630 0.024,631 -0.128,632 -0.031,633 0.118,634 -0.107,635 0.036,636 -0.088,637 0.081,638 -0.078,639 0.026,640 -0.011,641 0.059,642 0.024,643 0.022,644 0.019,645 0.059,646 -0.025,647 0.09,648 0.009,649 0.065,650 0.062,651 4.579,652 5.99,653 0.595,654 49.942,655 1.002,656 1.117,657 4.071,658 16.576,659 0.688,660 3.714,661 4.043,662 4.263,663 4.511,664 4.771,665 4.883,666 5.024,667 5.226,668 5.371,669 5.451,670 8.083,671 0.644,672 539.14,673 3.714,674 5.263,675 6.098,676 6.978,677 7.838,678 8.727,679 9.6,680 10.496,681 11.377,682 12.278,683 2.9,685 1,693 1,699 9,700 1,704 8,706 18,723 1,724 68,726 22,727 2,728 40,730 71,731 29,733 17,734 7,735 5,736 2,739 4,740 5,741 1,745 1,748 4,751 8,753 20,754 9,756 4,760 1,761 3,763 2,765 1,772 31,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,836 1,837 1,840 37,844 1,845 1,846 7,847 1,850 1,861 1,862 5.9,864 1,865 3,869 19.583,870 12.21,871 8.069,872 4.163,874 3.032,875 1.374,876 0.969,877 8.94,878 11.148,879 3.989,880 4.59,881 5.061,882 5.586,883 6.112,884 6.333,885 6.623,886 6.964,887 7.329,888 7.63,889 1,890 58,891 13.982,893 6.208,894 7.888,895 26.328,897 22.145,899 2.388,900 88.361,904 341.362,905 160.83,906 33.191,907 39.149,908 112.141,910 5.807,911 155.023,912 492.652,913 33.191,914 8.825,915 17.742,916 107.499,917 153.379,918 42.26,920 317.82,921 39.149,922 341.362,923 188.213,924 112.141,925 44.956,927 294.278,928 159.226,931 61.067,932 91.408,933 80.694,935 341.362,936 145.332,937 199.979,939 5.807,940 341.362,941 42.816,942 112.206,943 16.405,944 168.075,945 341.362,946 145.332,947 199.979,949 0.582,950 0.321,951 0.165,952 0.094,953 25,954 12,955 0.141,956 10,957 1,958 1.091,959 4.646,960 353.023,961 0.091,962 22,963 186.75,967 1,968 27.223,969 12.151,970 7.148,972 145.332,973 16,974 4.244,978 7.715,980 59.088,981 686.672,982 53,986 -3.663,987 36.827,989 4.162,991 -0.785,994 68.167,995 75.926,996 0.264,997 0.617,998 0.84,999 0.931,1000 0.931,1001 0.931,1002 5.234,1003 1.99,1004 6.107,1005 5.984,1006 4.727,1007 5.278,1008 2.35,1009 6.936,1010 4.665,1011 6.461,1012 1.597,1013 7.683,1014 5.183,1015 4.443,1016 5.293,1017 2.243,1018 8.065,1019 4.295,1020 7.797,1021 1.559,1022 9.373,1023 4.552,1024 6.372,1025 7.534,1026 3.64,1027 11.121,1028 6.237,1029 9.173,1030 1.455,1031 11.135,1032 3.472,1033 6.899,1034 8.374,1035 4.112,1036 13.108,1037 6.671,1038 10.586,1039 1.159,1040 12.947,1041 3.204,1042 8.347,1043 10.155,1044 5.203,1045 15.766,1046 8.12,1047 12.027,1048 1,1049 14.795,1050 2.847,1051 9.246,1052 11.366,1053 5.889,1054 18.078,1055 8.931,1056 13.492,1057 1,1058 16.67,1059 2.275,1060 10.522,1061 12.983,1062 6.849,1063 20.623,1064 10.188,1065 3.395,1066 0.854,1067 18.565,1068 2.136,1069 11.591,1070 14.365,1071 7.625,1072 23.054,1073 11.181,1074 3.214,1075 12.509,1076 20.477,1077 1.938,1078 12.808,1079 15.921,1080 8.526,1081 25.569,1082 12.364,1083 2.644,1084 11.145,1085 22.401,1086 4.7,1087 13.952,1088 17.381,1089 9.342,1090 28.045,1091 13.442,1092 2.477,1093 8.356,1094 24.336,1095 4.299,1096 15.154,1097 18.917,1098 10.216,1099 30.553,1100 14.599,1101 2.382,1102 7.393,1103 26.278,1104 3.468,1105 16.331,1106 20.414,1107 11.051,1108 33.049,1109 15.717,1110 2.236,1111 6.606,1112 28.227,1113 3.396,1114 17.531,1115 21.945,1116 11.912,1117 35.556,1118 16.868,1119 2.14,1120 6.301,1121 30.182,1122 3.089,1123 18.724,1124 23.46,1125 12.755,1126 38.061,1127 18.004,1128 19854,1129 35042,1130 26.235,1131 46.756,1132 59.645,1133 61.531,1134 60.932,1135 59.461,1136 59.156,1137 77.46,1138 6.042,1139 170.114,1140 57.251,1141 5.799,1142 6.686,1143 7.11,1144 5.372,1145 5.395,1146 7.7,1147 3.925,1148 20.057,1149 5.222,1150 20.636,1151 1.491,1152 1.538,1153 1.523,1154 1.487,1155 1.479,1156 1.937,1157 0.151,1158 4.253,1159 1.431,1160 4.121,1161 4.13,1162 4.737,1163 4.091,1164 7.717,1165 4.045,1166 4.015,1167 4.008,1168 4.011,1169 3.994,1170 7.474,1171 3.945,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.759,1178 3.737,1179 3.783,1180 3.782,1181 3.624,1182 6.351,1183 3.605,1184 3.664,1185 3.689,1186 3.606,1187 3.568,1188 4.933,1189 3.532,1190 3.512,1191 3.512,1192 3.46,1193 3.425,1194 4.9,1195 3.377,1196 3.418,1197 3.45,1198 3.32,1199 3.264,1200 4.708,1201 3.269,1202 3.174,1203 3.244,1204 3.159,1205 3.015,1206 4.3,1207 3.004,1208 0.121,1209 0.117,1210 0.183,1211 0.108,1212 0.085,1213 4.852,1214 0.117,1215 4.686,1216 0.059,1217 7.308,1218 0.313,1219 4.317,1220 0.081,1221 3.395,1222 4.7,1223 2.341,1224 12.509,1225 3.222,1226 2.056,1227 2.037,1228 2.155,1229 2.126,1230 1.474,1231 2.145,1232 1.948,1233 1.956,1234 1.973,1235 2.009,1236 1.252,1237 2.045,1238 1.836,1239 1.799,1240 1.958,1241 1.952,1242 1.197,1243 1.961,1244 1.729,1245 1.681,1246 1.943,1247 1.887,1248 1.133,1249 1.908,1250 1.616,1251 1.58,1252 1.802,1253 1.765,1254 0.964,1255 1.784,1256 1.389,1257 1.412,1258 1.595,1259 1.576,1260 0.782,1261 1.585,1262 1.38,1263 1.344,1264 1.513,1265 1.537,1266 0.706,1267 1.574,1268 1.185,1269 1.115,1270 1.43,1271 1.395,1272 0.617,1273 1.439,1274 4.394,1276 5.72,1278 7.236,1280 8.846,1282 10.509,1284 2.123,1285 5.927,1289 8.915,1290 4.217,1291 2.891,1294 -0.213,1300 43.819,1301 109.486,1302 255.574,1303 347.541,1304 385.193,1305 385.193,1306 385.193,1307 96.769,1308 8.116,1309 96.36,1310 104.74,1311 24,1312 12.804,1313 4.524,1314 3.807,1315 64.495,1316 173,1317 199,1318 0.175,1319 276.211,1320 489.96,1321 665.714,1322 38600,1323 1.5,1324 26.416,1325 0.714,1326 0.604,1327 27.166,1328 22.356,1329 17.725,1330 0.443,1331 0.357,1332 12.49,1333 16.257,1334 11.999,1335 9.929,1336 18.835,1337 14.282,1338 16.543,1339 0.295,1340 0.207,1341 18.252,1342 11.604,1343 12.84,1344 0.183,1345 0.122,1346 14.233,1347 8.553,1348 10.448,1349 0.116,1350 0.069,1351 11.637,1352 6.244,1353 8.57,1354 0.073,1355 0.041,1356 9.679,1357 4.785,1358 0.276,1359 120.773,1360 0.195,1361 33.783,1362 0.482,1363 192,1364 550.398,1365 256.244,1366 587.787,1367 775.42,1368 540,1369 222,1370 503.464,1371 286.977,1372 560.196,1373 807.8,1374 525,1375 6.018} {0 CHEMBL288824,1 1.488,2 15,3 3.569,4 12.734,5 122.155,6 7.074,7 0.5,8 4.205,9 4.312,10 3.722,11 3.68,12 5.283,13 3.667,14 4.753,15 4.921,16 3.991,17 4.014,18 5.797,19 3.98,20 4.918,21 5.109,22 3.999,23 4.109,24 5.917,25 4.035,26 5.017,27 5.242,28 3.926,29 4.072,30 5.986,31 3.987,32 4.951,33 5.175,34 3.896,35 4.049,36 5.898,37 3.964,38 4.917,39 5.135,40 3.897,41 4.091,42 5.845,43 3.987,44 4.981,45 5.218,46 3.898,47 4.12,48 5.908,49 4.003,50 4.939,51 5.186,52 3.855,53 4.102,54 5.787,55 3.988,56 0.019,57 0.827,58 13.54,59 5.986,60 10.018,61 7.694,62 0.493,63 1.268,64 26.372,65 9.209,66 41.849,67 11.996,68 0.465,69 1.433,70 31.235,71 11.473,72 44.679,73 15.295,74 0.586,75 1.476,76 36.185,77 11.882,78 65.673,79 16.079,80 0.545,81 1.413,82 33.629,83 11.277,84 57.242,85 15.31,86 0.473,87 1.452,88 31.46,89 11.394,90 49.373,91 15.807,92 0.58,93 1.531,94 34.116,95 11.98,96 59.475,97 16.97,98 0.395,99 1.497,100 32.575,101 11.467,102 41.591,103 16.377,104 17,105 43,106 0.24,107 0.563,108 0.78,109 0.837,110 0.863,111 0.863,112 3.501,113 0.946,114 -3.84,115 -3.8,116 -3.61,118 40.3,119 1,120 1,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 11,171 2,172 7,180 10,185 2,186 11,194 5,197 1,198 10,206 1,209 1,210 7,218 3,221 2,222 7,229 4,233 2,234 9,242 4,247 7,255 5,258 1,259 5,267 8,270 2310,271 22.085,272 22.085,273 22.085,274 22.085,275 22.085,276 19.924,277 24.247,278 13.626,279 22.794,280 16.703,281 16.703,282 16.703,283 16.703,284 16.703,285 13.431,286 25.344,287 6.39,288 17.709,289 4.466,290 2.464,291 1.121,292 0.766,293 0.605,294 0.605,295 4.187,299 1,300 1,301 1003,302 4.301,305 114.106,306 263.648,313 2.188,314 28.888,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 70,326 480,327 4.188,328 3.658,329 6.029,330 3.817,331 2.825,332 3.768,333 1.674,334 8.589,335 2.796,336 4.035,337 3.061,338 5.592,339 3.633,340 2.69,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.924,347 5.479,348 3.592,349 2.642,350 3.49,351 1.151,352 7.335,353 2.462,354 3.733,355 2.729,356 5.315,357 3.38,358 2.412,359 3.071,360 0.86,361 6.87,362 2.337,363 3.492,364 2.655,365 5.112,366 3.168,367 2.238,368 2.767,370 6.284,371 2.072,372 3.349,373 2.423,374 5.019,375 3.085,376 2.145,377 2.41,379 6.05,380 1.997,381 2.915,382 2.037,383 4.217,384 2.591,385 1.656,386 1.981,388 3.959,389 1.534,390 2.582,391 1.9,392 3.507,393 2.193,394 1.255,395 1.611,397 2.712,398 1.179,399 2.5,400 1.802,401 3.425,402 2.142,403 1.205,404 1.5,406 2.498,407 1.111,408 2.5,409 1.32,410 3.414,411 2,412 1.089,413 1.5,415 2.275,416 1,417 2.398,418 1.166,419 3.414,420 2,421 1,422 1.353,424 2.275,425 1,426 2.251,427 1,428 3.274,429 1.977,430 1,431 1.229,433 2.216,434 0.954,435 2.118,436 1,437 3.061,438 1.554,439 0.634,440 0.927,442 1.393,443 0.577,444 1.77,445 0.967,446 3,447 1.527,448 0.618,449 0.697,451 1.372,452 0.559,453 1.634,454 0.784,455 2.789,456 1.373,457 0.495,458 0.547,460 0.842,461 0.43,462 14.967,463 0.468,464 0.499,465 0.016,466 38.5,467 1.203,468 18,469 0.563,470 20.5,471 0.641,472 26.955,473 0.842,474 36.033,475 0.581,476 30.209,477 0.944,478 8.075,479 0.252,480 7.598,481 0.237,482 0.089,484 0.227,487 0.827,488 1.467,489 0.819,490 1.307,491 0.663,492 1.099,493 1.348,494 0.941,495 1.05,496 0.92,497 0.871,498 0.923,499 1.053,500 1.136,501 1.053,502 1.174,503 0.826,504 1.126,505 1.352,506 0.965,507 1.07,508 0.99,509 1.376,510 0.983,511 1.277,512 0.941,513 1.036,514 0.943,515 1.303,516 0.948,517 0.845,518 1.105,519 1.024,520 1.109,521 0.94,522 1.102,523 0.774,524 1.051,525 0.972,526 1.02,527 0.725,528 1.03,529 0.822,530 0.97,531 0.933,532 0.922,533 0.608,534 0.939,535 5.5,536 0.16,537 2.667,538 1.097,539 0.999,540 0.723,541 0.394,542 0.283,543 0.294,544 0.197,545 15631,546 41887,547 2.048,548 48.4,549 3,550 22,551 1,552 2,555 2,558 1.745,559 1.959,560 3.828,561 -0.774,563 1,567 92.247,568 1.488,569 3.49,570 4.833,571 5.188,572 5.349,573 5.349,574 3.34,575 4.438,576 4.966,577 4.009,578 1988.7,579 8.69,580 31727.2,582 1,585 369.16,586 1.171,587 4.951,588 0.162,589 0.005,590 0.062,591 0.027,592 0.027,593 0.02,594 0.011,595 0.008,596 0.008,597 0.005,598 0.334,599 0.33,600 0.88,601 1.195,602 173.017,603 -0.009,604 -0.261,605 0.069,606 -0.165,607 -0.018,608 -0.055,609 -0.104,610 0.144,611 -0.055,612 0.091,613 -0.011,614 0.039,615 0.011,616 -0.118,617 -0.079,618 -0.15,619 0.038,620 -0.134,621 -0.124,622 -0.017,623 -0.048,624 -0.027,625 -0.101,626 -0.024,627 -0.117,628 0.022,629 -0.026,630 0.031,631 -0.114,632 0.02,633 0.036,634 -0.089,635 -0.066,636 -0.1,637 -0.041,638 -0.102,639 0.077,640 -0.059,641 -0.008,642 -0.028,643 0.053,644 -0.033,645 -0.064,646 0.036,647 0.021,648 0.067,649 -0.043,650 0.062,651 1.968,652 4.944,653 0.531,654 41.199,655 1.003,656 1.127,657 2.608,658 6.801,659 0.644,660 3.555,661 3.784,662 3.97,663 4.111,664 4.234,665 4.248,666 4.277,667 4.29,668 4.419,669 4.489,670 8.542,671 0.613,672 438.57,673 3.555,674 5.043,675 5.844,676 6.663,677 7.477,678 8.301,679 9.119,680 9.945,681 10.766,682 11.592,683 3.2,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 62,726 18,727 2,728 34,730 64,731 25,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 2,753 16,754 9,756 1,761 1,765 1,769 1,772 30,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 32,846 6,848 4,850 1,862 8.1,865 1,866 2,867 2,869 16.333,870 11.483,871 7.444,872 3.665,874 2.102,875 1.295,876 0.932,877 9.757,878 9.236,879 3.795,880 4.28,881 4.753,882 5.189,883 5.533,884 5.552,885 5.649,886 5.618,887 5.886,888 6.135,889 1,890 41,891 11.826,893 4.757,894 7.708,895 22.631,897 17.506,899 2.208,900 70.667,903 1,904 353.133,905 167.233,906 18.685,908 69.144,911 167.233,912 422.278,913 18.685,914 19.708,915 23.01,916 84.857,917 103.282,918 47.746,919 11.771,920 317.82,922 353.133,923 185.918,924 69.144,927 329.591,928 70.687,929 22,931 51.4,932 117.732,933 16.786,935 353.133,936 87.829,937 167.233,940 353.133,941 45.001,942 124.131,944 85.93,945 353.133,946 87.829,947 167.233,949 0.554,950 0.315,951 0.158,952 0.082,953 16,954 7,955 0.219,956 14,958 1,959 4.544,960 258.815,962 17,963 150,968 23.989,969 13.016,970 8.086,972 85.93,973 20.501,974 4.096,978 3.403,979 1.967,981 608.195,982 43.5,987 11.944,991 -0.302,994 62.211,995 69.856,996 0.25,997 0.586,998 0.812,999 0.871,1000 0.898,1001 0.898,1002 4.978,1003 1.255,1004 5.765,1005 3.959,1006 4.466,1007 4.966,1008 2.594,1009 6.444,1010 4.361,1011 6.119,1012 1.205,1013 7.241,1014 2.712,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.369,1021 1.089,1022 8.809,1023 2.498,1024 5.938,1025 7.008,1026 3.212,1027 10.068,1028 5.751,1029 8.653,1030 1,1031 10.433,1032 2.275,1033 6.089,1034 7.36,1036 11.504,1037 5.901,1038 9.969,1039 1,1040 12.092,1041 2.275,1042 7.64,1043 9.307,1044 4.011,1045 13.956,1046 7.392,1047 11.305,1048 0.634,1049 13.773,1050 2.216,1051 8.192,1052 10.056,1054 15.734,1055 7.939,1056 12.655,1057 0.618,1058 15.471,1059 1.393,1060 9.465,1061 11.731,1062 4.923,1063 17.981,1064 9.168,1065 2.825,1066 0.495,1067 17.18,1068 1.372,1069 10.226,1070 12.693,1072 19.924,1073 9.919,1074 2.69,1075 8.589,1076 18.898,1077 0.842,1078 11.363,1079 14.224,1080 5.898,1081 22.09,1082 11.027,1083 2.642,1084 7.725,1085 20.623,1086 3.768,1087 12.236,1088 15.31,1090 24.117,1091 11.888,1092 2.412,1093 7.335,1094 22.353,1095 3.635,1096 13.308,1097 16.757,1098 6.902,1099 26.252,1100 12.937,1101 2.238,1102 6.87,1103 24.089,1104 3.49,1105 14.242,1106 17.921,1108 28.325,1109 13.859,1110 2.145,1111 6.284,1112 25.829,1113 3.071,1114 15.282,1115 19.317,1116 7.92,1117 30.45,1118 14.882,1119 1.656,1120 6.05,1121 27.573,1122 2.767,1123 16.251,1124 20.531,1126 32.549,1127 15.84,1128 15296,1129 25165,1130 22.94,1131 39.943,1132 48.492,1133 49.923,1134 49.413,1135 48.008,1136 48.074,1137 61.261,1138 9.672,1139 125.193,1140 45.426,1141 5.119,1142 5.658,1143 5.892,1144 4.906,1145 4.825,1146 6.768,1147 3.349,1148 14.497,1149 4.796,1150 14.033,1151 1.426,1152 1.468,1153 1.453,1154 1.412,1155 1.414,1156 1.802,1157 0.284,1158 3.682,1159 1.336,1160 3.987,1161 4.028,1162 3.923,1163 3.889,1164 7.433,1165 3.891,1166 3.915,1167 3.949,1168 3.857,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.712,1176 4.878,1177 3.74,1178 3.626,1179 3.68,1180 3.5,1181 3.438,1182 4.756,1183 3.433,1184 3.561,1185 3.6,1186 3.43,1187 3.354,1188 4.601,1189 3.369,1190 3.34,1191 3.374,1192 3.221,1193 3.126,1194 4.45,1195 3.145,1196 3.268,1197 3.307,1198 3.137,1199 3.053,1200 4.382,1201 3.065,1202 3.089,1203 3.155,1204 2.893,1205 2.825,1206 4.236,1207 2.818,1208 0.123,1209 0.108,1210 0.177,1211 0.112,1212 0.083,1213 4.188,1214 0.111,1215 3.658,1216 0.049,1217 6.029,1218 0.253,1219 3.817,1220 0.082,1221 2.825,1222 3.768,1223 1.674,1224 8.589,1225 2.796,1226 1.923,1227 1.903,1228 2.031,1229 2.025,1230 1.209,1231 2.025,1232 1.899,1233 1.878,1234 2.014,1235 1.999,1236 1.148,1237 2.004,1238 1.684,1239 1.631,1240 1.901,1241 1.906,1242 1.127,1243 1.897,1244 1.605,1245 1.54,1246 1.864,1247 1.816,1248 1.112,1249 1.844,1250 1.368,1251 1.319,1252 1.597,1253 1.627,1254 0.703,1255 1.612,1256 1.282,1257 1.226,1258 1.551,1259 1.536,1260 0.631,1261 1.54,1262 1.256,1263 1.215,1264 1.454,1265 1.52,1266 0.594,1267 1.505,1268 1.18,1269 1.118,1270 1.445,1271 1.455,1272 0.517,1273 1.45,1274 4.234,1276 5.485,1277 2.398,1278 6.913,1279 4.443,1280 8.418,1281 6.26,1282 9.965,1284 3.615,1290 3.195,1292 22.404,1294 -0.156,1300 37.992,1301 92.247,1302 216.396,1303 299.65,1304 321.65,1305 331.65,1306 331.65,1307 62.388,1308 7.134,1309 71.81,1310 71.81,1311 17,1312 12.169,1313 4.248,1314 3.392,1315 61.214,1316 156,1317 188,1318 0.176,1319 235.622,1320 413.47,1321 566.678,1322 12071,1324 22.598,1325 0.706,1326 0.581,1327 22.598,1328 18.607,1329 15.673,1330 0.461,1331 0.315,1332 10.507,1333 14.882,1334 10.221,1335 8.545,1336 15.673,1337 10.717,1338 12.956,1339 0.301,1340 0.172,1341 12.956,1342 7.389,1343 10.602,1344 0.204,1345 0.093,1346 10.602,1347 4.818,1348 8,1349 0.133,1350 0.051,1351 8,1352 3.043,1353 5.903,1354 0.087,1355 0.029,1356 5.903,1357 1.962,1358 0.286,1359 99.662,1360 0.209,1361 30.811,1362 0.457,1363 154,1364 509.968,1365 172.692,1366 470.299,1367 626.24,1368 444,1369 172,1370 431.748,1371 191.307,1372 436.846,1373 628.42,1374 405,1375 6.745} {0 CHEMBL289076,1 1.512,2 8.769,3 3.269,4 10.687,5 97.819,6 8.2,7 0.621,8 3.857,9 3.943,10 3.508,11 3.472,12 5.068,13 3.467,14 4.336,15 4.457,16 3.85,17 3.844,18 5.602,19 3.824,20 4.582,21 4.727,22 3.991,23 4.01,24 5.737,25 3.976,26 4.682,27 4.867,28 3.912,29 3.964,30 5.819,31 3.917,32 4.615,33 4.802,34 3.859,35 3.959,36 5.683,37 3.9,38 4.605,39 4.788,40 3.852,41 3.953,42 5.784,43 3.88,44 4.596,45 4.778,46 3.85,47 3.936,48 5.736,49 3.874,50 4.615,51 4.809,52 3.658,53 3.776,54 5.845,55 3.706,56 0.048,57 0.539,58 6.789,59 3.708,60 10.062,61 4.173,62 0.231,63 0.883,64 12.539,65 5.915,66 37.328,67 6.801,68 0.142,69 1.121,70 16.905,71 8.009,72 24.178,73 9.554,74 0.397,75 1.265,76 21.694,77 8.511,78 50.055,79 10.125,80 0.255,81 1.167,82 19.906,83 8.367,84 37.3,85 10.274,86 0.493,87 1.122,88 19.965,89 8.57,90 52.818,91 10.851,92 0.156,93 1.109,94 19.142,95 8.702,96 29.697,97 10.908,98 0.435,99 1.108,100 21.825,101 8.38,102 67.25,103 9.705,104 6,105 40,106 0.26,107 0.587,108 0.762,109 0.888,110 0.912,111 0.912,112 3.305,113 0.853,114 -4.09,115 -4.04,116 -3.82,118 50,124 2,140 9,141 5,142 1,143 2,153 1,154 1,163 1,167 1,168 12,169 1,172 9,175 1,177 1,180 12,181 2,186 11,191 2,194 8,195 2,197 2,198 10,203 2,206 9,210 3,211 2,218 14,219 1,221 2,222 4,225 2,227 1,229 16,230 2,234 6,239 2,242 12,243 3,246 1,247 8,252 3,255 6,256 2,259 4,260 1,264 2,267 2,268 1,270 1078,271 17.913,272 17.913,273 17.913,274 17.913,275 17.913,276 15.384,277 18.314,278 10.713,279 18.147,280 14.337,281 14.337,282 14.337,283 14.337,284 14.337,285 10.572,286 25.644,287 5.092,288 14.706,289 3.881,290 1.984,291 0.965,292 0.238,293 0.095,294 0.095,295 4.008,298 1,299 1,300 1,301 497,302 2.915,306 167.169,307 56.959,311 184.415,313 1.13,314 26.2,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 56,326 228,327 4.557,328 3.588,329 6.809,330 4.19,331 3.209,332 4.206,333 1.437,334 11.266,335 3.148,336 4.17,337 3.39,338 6.137,339 3.779,340 2.782,341 3.787,342 1.151,343 8.959,344 2.769,345 3.906,346 2.811,347 5.823,348 3.508,349 2.523,350 3.451,351 0.795,352 7.816,353 2.484,354 3.831,355 2.779,356 5.364,357 3.45,358 2.463,359 3.227,361 6.995,362 2.422,363 3.478,364 2.554,365 5.237,366 3.064,367 2.124,368 2.741,370 6.294,371 1.989,372 2.939,373 1.972,374 4.264,375 2.5,376 1.533,377 2.105,379 3.648,380 1.486,381 2.917,382 1.681,383 3.938,384 2.458,385 1.478,386 2.09,388 3.343,389 1.441,390 2.775,391 1.563,392 3.763,393 2.288,394 1.295,395 1.841,397 3.118,398 1.285,399 2.736,400 1.323,401 3.637,402 2.258,403 1.26,404 1.782,406 2.917,407 1.234,408 2.536,409 1.232,410 3.542,411 1.965,412 1,413 1.5,415 2.47,416 0.963,417 2.5,418 1.031,419 3.247,420 1.953,421 1,422 1.472,424 2.136,425 0.95,426 1.951,427 1,428 3.209,429 1.619,430 0.694,431 0.839,433 1.62,434 0.635,435 1.448,436 0.468,437 2.955,438 1.166,439 0.217,440 0.259,442 0.548,443 0.205,444 1.185,445 0.463,446 2.666,447 0.855,448 -0.114,449 -0.139,451 -0.291,452 -0.109,453 0.85,454 0.178,455 2.325,456 0.404,457 -0.556,458 -0.727,460 -1.294,461 -0.531,462 12.3,463 0.473,464 0.538,465 0.021,466 38,467 1.462,468 21.5,469 0.827,470 16.5,471 0.635,472 17.342,473 0.667,474 26.1,475 0.621,476 28.507,477 1.096,478 7.861,479 0.302,480 4.859,481 0.187,482 0.054,484 0.325,487 0.786,488 1.054,489 0.699,490 0.922,491 0.731,492 0.821,493 0.82,494 0.979,495 0.864,496 0.91,497 0.521,498 0.89,499 0.842,500 1.225,501 0.899,502 1.14,503 0.641,504 1.053,505 1.133,506 0.986,507 1.069,508 0.955,509 0.966,510 0.985,511 0.921,512 0.977,513 0.977,514 0.968,515 0.789,516 0.973,517 0.569,518 0.859,519 0.921,520 0.945,521 0.527,522 0.991,523 0.75,524 1.118,525 0.892,526 1.154,527 0.826,528 1.074,529 1.459,530 1.061,531 1.243,532 1.066,533 1.709,534 1.114,535 4,536 0.037,537 2.889,538 1.375,539 1.332,540 0.92,541 0.625,542 0.349,543 0.222,544 0.142,545 7347,546 21537,547 2.148,548 38.1,550 13,552 2,553 1,558 1.7,559 2.053,560 3.102,561 -0.37,562 1,563 1,567 63.484,568 1.512,569 3.408,570 4.427,571 5.154,572 5.297,573 5.297,574 2.442,575 4.393,576 4.67,577 3.248,578 1055.56,579 8.142,580 12855.5,581 1,582 1,584 1,585 226.477,586 1.239,587 4.65,588 0.138,589 0.005,590 0.072,591 0.031,592 0.033,593 0.024,594 0.016,595 0.009,596 0.008,597 0.008,598 0.344,599 0.5,600 1,601 0.646,602 124.239,603 -0.06,604 -0.055,605 0.031,606 0.014,607 -0.095,608 0.033,609 0.032,610 0.044,611 -0.05,612 0.024,613 0.13,614 -0.013,615 -0.037,616 -0.241,617 -0.037,618 -0.184,619 0.016,620 -0.127,621 -0.094,622 0.046,623 -0.094,624 -0.009,625 -0.088,626 -0.043,627 -0.09,628 0.017,629 -0.032,630 0.002,631 -0.063,632 0.001,633 0.286,634 0.1,635 0.031,636 0.044,637 0.205,639 0.026,640 -0.184,641 0.048,642 -0.16,643 0.013,644 -0.073,645 -0.175,646 -0.107,647 -0.192,648 -0.086,649 -0.221,650 -0.137,651 2.642,652 4.415,653 0.808,654 21.112,655 1.009,656 1.108,657 2.864,658 8.203,659 0.707,660 3.401,661 3.714,662 4.007,663 4.277,664 4.575,665 4.718,666 4.875,667 5.004,668 5.147,669 5.236,670 5.462,671 0.687,672 344.39,673 3.401,674 4.934,675 5.79,676 6.666,677 7.543,678 8.428,679 9.315,680 10.207,681 11.099,682 11.994,683 4.8,692 1,693 1,699 11,700 1,704 6,706 18,708 1,714 1,722 1,724 42,726 20,727 2,728 29,730 45,731 21,733 17,734 5,735 7,736 2,739 4,740 7,753 19,754 2,756 2,761 1,764 1,765 2,768 1,769 1,772 16,773 5,774 1,775 5,779 2,784 0.5,785 3,795 1,802 3,803 1,807 2,830 1,832 2,840 26,845 1,846 2,848 1,862 7.1,864 1,865 1,867 1,869 12.667,870 7.6,871 5.722,872 2.396,874 3.929,875 1.513,876 0.994,877 4.405,878 11.585,879 3.714,880 4.311,881 4.903,882 5.472,883 6.047,884 6.302,885 6.73,886 7.124,887 7.562,888 7.957,889 0.833,890 45,891 9.59,893 4.129,894 7.84,895 18.083,897 14.841,899 2.34,900 60.833,903 1,904 176.567,905 134.917,906 33.571,908 78.828,911 134.917,912 255.395,913 33.571,915 6.698,916 85.286,917 111.823,918 67.052,920 153.024,922 176.567,923 168.488,924 78.828,927 176.567,928 78.828,931 41.578,932 110.124,933 16.786,935 176.567,936 112.399,937 134.917,940 176.567,941 31.536,942 103.381,944 112.399,945 176.567,946 112.399,947 134.917,949 0.577,950 0.338,951 0.184,952 0.107,953 20,954 8,955 0.067,956 3,957 2,958 1.19,959 3.73,960 229.804,961 0.19,962 21,963 122.211,968 16.345,969 7.007,970 3.344,972 112.399,973 20.104,974 4.121,978 4.498,980 42.683,981 423.883,982 40,987 11.415,990 4.8,991 -0.239,994 42.371,995 46.531,996 0.28,997 0.632,998 0.821,999 0.956,1000 0.982,1001 0.982,1002 4.931,1003 1.295,1004 5.759,1005 3.343,1006 4.394,1007 4.997,1008 2.202,1009 6.567,1010 4.347,1011 6.135,1012 1.26,1013 7.311,1014 3.118,1015 3.892,1016 4.663,1018 7.479,1019 3.849,1020 7.436,1021 1,1022 8.969,1023 2.917,1024 5.974,1025 7.17,1026 2.627,1027 10.602,1028 5.893,1029 8.773,1030 1,1031 10.692,1032 2.47,1033 6.33,1034 7.67,1036 12.385,1037 6.252,1038 10.143,1039 0.694,1040 12.457,1041 2.136,1042 7.847,1043 9.614,1044 3.167,1045 15.02,1046 7.739,1047 11.537,1048 0.217,1049 14.252,1050 1.62,1051 8.608,1052 10.523,1054 17.16,1055 8.496,1056 12.949,1057 -0.114,1058 16.067,1059 0.548,1060 9.893,1061 12.207,1062 3.779,1063 19.64,1064 9.757,1065 3.209,1066 -0.556,1067 17.898,1068 -0.291,1069 10.852,1070 13.338,1072 21.934,1073 10.705,1074 2.782,1075 11.266,1076 19.741,1077 -1.294,1078 12.042,1079 14.89,1080 4.434,1081 24.366,1082 11.875,1083 2.523,1084 8.959,1085 21.594,1086 4.206,1087 13.099,1088 16.145,1090 26.728,1091 12.915,1092 2.463,1093 7.816,1094 23.455,1095 3.787,1096 14.256,1097 17.63,1098 5.115,1099 29.147,1100 14.052,1101 2.124,1102 6.995,1103 25.323,1104 3.451,1105 15.36,1106 18.957,1108 31.539,1109 15.138,1110 1.533,1111 6.294,1112 27.198,1113 3.227,1114 16.509,1115 20.408,1116 5.813,1117 33.955,1118 16.267,1119 1.478,1120 3.648,1121 29.077,1122 2.741,1123 17.638,1124 21.777,1126 36.362,1127 17.376,1128 6985,1129 12074,1130 19.879,1131 29.705,1132 43.628,1133 44.335,1134 44.121,1135 43.113,1136 43.158,1137 58.599,1138 6.765,1139 122.258,1140 42.016,1141 5.391,1142 5.588,1143 6.611,1144 5.252,1145 5.209,1146 7.206,1147 2.873,1148 18.627,1149 5.148,1150 9.227,1151 1.504,1152 1.529,1153 1.521,1154 1.487,1155 1.488,1156 2.021,1157 0.233,1158 4.216,1159 1.449,1160 4.053,1161 4.072,1162 4.014,1163 3.983,1164 7.475,1165 3.987,1166 3.864,1167 3.904,1168 3.801,1169 3.766,1170 6.351,1171 3.768,1172 3.821,1173 3.842,1174 3.766,1175 3.765,1176 4.956,1177 3.762,1178 3.385,1179 3.424,1180 3.335,1181 3.208,1182 4.869,1183 3.228,1184 3.297,1185 3.322,1186 3.214,1187 3.072,1188 4.634,1189 3.097,1190 3.119,1191 3.147,1192 2.997,1193 2.916,1194 4.42,1195 2.931,1196 2.965,1197 3.019,1198 2.839,1199 2.862,1200 4.217,1201 2.851,1202 2.76,1203 2.846,1204 2.62,1205 2.629,1206 3.822,1207 2.616,1208 0.157,1209 0.124,1210 0.235,1211 0.144,1212 0.111,1213 4.557,1214 0.145,1215 3.588,1216 0.05,1217 6.809,1218 0.388,1219 4.19,1220 0.109,1221 3.209,1222 4.206,1223 1.437,1224 11.266,1225 3.148,1226 1.963,1227 1.943,1228 2.047,1229 2.042,1230 1.199,1231 2.044,1232 1.87,1233 1.853,1234 1.973,1235 1.968,1236 1.094,1237 1.97,1238 1.838,1239 1.801,1240 1.953,1241 1.954,1242 1.05,1243 1.957,1244 1.315,1245 1.275,1246 1.496,1247 1.538,1248 0.611,1249 1.515,1250 1.214,1251 1.18,1252 1.453,1253 1.462,1254 0.585,1255 1.451,1256 1.05,1257 1.02,1258 1.218,1259 1.31,1260 0.344,1261 1.28,1262 0.967,1263 0.921,1264 1.177,1265 1.124,1266 0.174,1267 1.156,1268 0.781,1269 0.719,1270 1.072,1271 0.983,1272 0.128,1273 1.007,1274 4.078,1276 5.389,1278 6.903,1279 2.708,1280 8.507,1281 5.38,1282 10.158,1289 9.357,1290 0.871,1292 5.906,1300 28.875,1301 63.484,1302 143.139,1303 185.948,1304 216.477,1305 222.477,1306 222.477,1307 39.786,1308 7.656,1309 71.78,1310 71.78,1311 25,1312 12.52,1313 4.392,1314 3.585,1315 37.632,1316 80,1317 96,1318 0.221,1319 176.012,1320 309.05,1321 421.229,1322 22481,1324 17.933,1325 0.69,1326 0.536,1327 17.933,1328 13.923,1329 12.72,1330 0.439,1331 0.284,1332 8.145,1333 12.314,1334 7.974,1335 6.594,1336 12.72,1337 8.243,1338 11.272,1339 0.282,1340 0.15,1341 11.272,1342 5.988,1343 9.64,1344 0.179,1345 0.079,1346 9.64,1347 4.28,1348 8.027,1349 0.113,1350 0.042,1351 8.027,1352 2.984,1353 6.916,1354 0.072,1355 0.022,1356 6.916,1357 2.124,1358 0.333,1359 79.339,1360 0.224,1361 24.522,1362 0.65,1363 138,1364 420.911,1365 149.08,1366 407.724,1367 555.73,1368 382,1369 163,1370 402.347,1371 173.973,1372 410.862,1373 601.18,1374 386,1375 5.721} {0 CHEMBL28924,1 1.682,2 12.97,3 4.984,4 24.837,5 128.354,6 8.363,7 0.5,8 4.152,9 4.242,10 3.935,11 3.792,12 5.236,13 3.738,14 4.704,15 4.84,16 4.251,17 4.206,18 6.004,19 4.126,20 5.014,21 5.195,22 4.317,23 4.388,24 6.069,25 4.267,26 5.11,27 5.309,28 4.253,29 4.394,30 6.163,31 4.261,32 5.131,33 5.342,34 4.297,35 4.394,36 6.168,37 4.269,38 5.143,39 5.361,40 4.342,41 4.385,42 6.257,43 4.273,44 5.15,45 5.379,46 4.178,47 4.323,48 6.221,49 4.202,50 5.034,51 5.266,52 4.078,53 4.186,54 6.118,55 4.059,56 0.113,57 0.795,58 12.889,59 5.874,60 23.309,61 6.758,62 0.415,63 1.317,64 21.978,65 10.142,66 80.484,67 12.397,68 0.406,69 1.737,70 37.76,71 14.675,72 76.919,73 17.448,74 0.539,75 1.89,76 45.085,77 16.34,78 99.038,79 19.166,80 0.537,81 1.883,82 44.022,83 16.283,84 105.49,85 19.781,86 0.572,87 1.885,88 42.268,89 16.177,90 101.303,91 20.64,92 0.595,93 1.877,94 43.276,95 15.965,96 111,97 19.93,98 0.596,99 1.676,100 40.988,101 14.151,102 107.407,103 17.267,104 29,105 51,106 0.272,107 0.587,108 0.76,109 0.872,110 0.885,111 0.885,112 3.532,113 1.057,114 -4.58,115 -4.51,116 -4.24,118 43.1,120 6,126 1,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 3,180 24,181 1,186 7,191 5,194 26,195 1,198 10,203 5,206 19,207 2,210 8,215 4,218 18,219 4,222 13,227 7,229 16,230 4,234 11,239 6,242 13,243 1,247 7,248 1,252 2,253 1,255 12,256 1,258 1,259 5,262 2,263 1,264 2,267 10,270 1968,271 21.902,272 21.902,273 21.902,274 21.902,275 21.902,276 19.153,277 20.868,278 12.927,279 22.28,280 17.797,281 17.797,282 17.797,283 17.797,284 17.797,285 13.629,286 19.033,287 6.2,288 18.475,289 4.176,290 2.223,291 1.151,292 0.461,293 0.379,294 0.379,295 4.225,297 1,300 1,301 916,302 4.123,306 406.994,310 154.617,313 2.037,314 45.016,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 71.333,326 428,327 4.852,328 4.686,329 7.308,330 4.315,331 3.394,332 4.7,333 2.341,334 12.509,335 3.168,336 4.495,337 3.604,338 6.709,339 4.151,340 3.154,341 4.177,342 0.68,343 10.91,344 3.073,345 3.931,346 3.382,347 5.813,348 3.612,349 2.621,350 3.457,352 8.098,353 2.596,354 3.84,355 2.916,356 5.392,357 3.403,358 2.438,359 3.395,361 7.016,362 2.37,363 3.663,364 2.894,365 5.248,366 3.298,367 2.359,368 2.971,370 6.451,371 2.191,372 3.525,373 2.588,374 5.064,375 3.185,376 2.187,377 2.7,379 6.069,380 2.134,381 3.21,382 2.227,383 4.747,384 2.969,385 1.997,386 2.357,388 5.229,389 1.924,390 3.113,391 2.018,392 4.639,393 2.766,394 1.768,395 2.315,397 4.842,398 1.763,399 3.02,400 1.708,401 4.582,402 2.509,403 1.561,404 2.132,406 4.538,407 1.415,408 2.864,409 1.616,410 3.836,411 2.394,412 1.427,413 2.015,415 3.112,416 1.376,417 2.5,418 1.44,419 3.576,420 2.099,421 1.1,422 1.5,424 2.744,425 1.096,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.191,436 1,437 3.247,438 1.956,439 1,440 1.163,442 2.136,443 0.954,444 1.848,445 0.925,446 3.232,447 1.616,448 0.615,449 0.724,451 1.434,452 0.613,453 1.44,454 0.704,455 3.154,456 1.219,457 0.231,458 0.264,460 0.587,461 0.226,462 16.181,463 0.49,464 0.943,465 0.029,466 42.5,467 1.288,468 22.5,469 0.682,470 20,471 0.606,472 31.123,473 0.943,474 35.419,475 0.611,476 33.703,477 1.021,478 7.993,479 0.242,480 7.821,481 0.237,482 0.127,483 0.052,484 0.278,487 0.569,488 1.147,489 0.715,490 1.069,491 0.659,492 0.89,493 0.455,494 1.079,495 0.767,496 0.971,497 0.431,498 0.993,499 0.885,500 1.087,501 1.053,502 1.081,503 0.825,504 1.075,505 1.001,506 1.08,507 1.135,508 1.152,509 0.98,510 1.104,511 0.918,512 1.017,513 0.749,514 0.941,515 1.044,516 1.009,517 0.629,518 1.045,519 0.681,520 0.984,521 0.697,522 1.003,523 1.012,524 0.966,525 0.775,526 0.887,527 1.021,528 0.965,529 1.139,530 0.961,531 0.909,532 0.902,533 1.103,534 0.962,535 8,536 0.252,537 4,538 2.25,539 1.991,540 1.278,541 0.891,542 0.637,543 0.512,544 0.284,545 15306,546 49342,547 2.054,548 43.1,549 6,550 9,552 2,553 2,554 2,555 4,558 1.755,559 1.913,560 3.625,561 0.192,567 97.57,568 1.682,569 3.635,570 4.707,571 5.397,572 5.479,573 5.479,574 3.101,575 4.62,576 5.01,577 3.807,578 2009.9,579 8.792,580 30121.7,585 339.763,586 1.554,587 4.964,588 0.222,589 0.009,590 0.078,591 0.043,592 0.041,593 0.026,594 0.017,595 0.014,596 0.013,597 0.009,598 0.472,599 0.17,600 0.88,601 1.024,602 175.301,603 0.037,604 -0.014,605 0.125,606 -0.004,607 -0.097,608 0.056,609 0.253,610 -0.004,611 0.017,612 -0.007,613 0.262,614 -0.049,615 -0.102,616 -0.059,617 -0.104,618 -0.06,619 -0.058,620 -0.088,621 -0.13,622 -0.061,623 -0.165,624 -0.109,625 -0.075,626 -0.111,627 -0.069,628 -0.046,629 0.037,630 0.009,631 -0.092,632 -0.02,633 0.143,634 -0.094,635 0.12,636 -0.065,637 0.094,638 -0.003,639 -0.081,640 -0.018,641 0.02,642 0.021,643 -0.078,644 0.021,645 -0.129,646 0.01,647 -0.011,648 0.035,649 -0.113,650 0.019,651 4.57,652 5.8,653 0.667,654 39.504,655 1.009,656 1.115,657 3.354,658 11.247,659 0.698,660 3.611,661 3.951,662 4.174,663 4.431,664 4.7,665 4.804,666 4.934,667 5.1,668 5.247,669 5.288,670 7.505,671 0.659,672 485.04,673 3.611,674 5.165,675 6.004,676 6.889,677 7.751,678 8.642,679 9.515,680 10.41,681 11.289,682 12.188,683 3.4,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 58,726 21,727 2,728 36,730 61,731 25,733 17,734 6,735 6,739 4,740 5,741 1,748 4,751 7,753 18,754 7,756 3,760 1,761 3,765 1,772 25,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 6,847 1,850 1,861 1,862 6.9,864 1,865 3,869 17.25,870 10.126,871 7.125,872 3.476,874 2.95,875 1.372,876 0.978,877 7.257,878 10.872,879 3.892,880 4.505,881 4.968,882 5.48,883 6.004,884 6.185,885 6.455,886 6.759,887 7.124,888 7.377,889 0.889,890 52,891 12.505,893 5.661,894 7.96,895 23.322,897 19.838,899 2.46,900 81.194,904 270.735,905 136.809,906 33.191,907 39.149,908 112.141,910 5.807,911 131.001,912 422.025,913 33.191,915 15.207,916 98.022,917 153.379,918 39.074,920 247.193,921 39.149,922 270.735,923 164.192,924 112.141,925 44.956,927 223.651,928 159.226,931 49.707,932 97.699,933 61.742,935 270.735,936 145.332,937 175.957,939 5.807,940 270.735,941 37.096,942 93.905,943 16.405,944 168.075,945 270.735,946 145.332,947 175.957,949 0.586,950 0.322,951 0.168,952 0.099,953 24,954 11,955 0.131,956 8,957 1,958 1.091,959 4.332,960 305.22,961 0.091,962 22,963 160.465,967 1,968 23.595,969 10.149,970 5.873,972 145.332,973 17.654,974 4.179,978 6.127,980 59.088,981 592.024,982 48,986 -3.653,987 36.88,991 -0.829,994 58.516,995 64.681,996 0.287,997 0.621,998 0.804,999 0.921,1000 0.935,1001 0.935,1002 5.139,1003 1.768,1004 6.019,1005 5.229,1006 4.635,1007 5.193,1008 2.35,1009 6.853,1010 4.566,1011 6.369,1012 1.561,1013 7.597,1014 4.842,1015 4.369,1016 5.223,1017 2.243,1018 8.003,1019 4.21,1020 7.709,1021 1.427,1022 9.289,1023 4.538,1024 6.29,1025 7.456,1026 3.64,1027 11.044,1028 6.143,1029 9.089,1030 1.1,1031 11.053,1032 3.112,1033 6.825,1034 8.3,1035 4.112,1036 13.051,1037 6.578,1038 10.505,1039 1,1040 12.866,1041 2.744,1042 8.272,1043 10.08,1044 5.203,1045 15.698,1046 8.025,1047 11.948,1048 1,1049 14.716,1050 2.275,1051 9.173,1052 11.289,1053 5.889,1054 18.023,1055 8.83,1056 13.414,1057 0.615,1058 16.592,1059 2.136,1060 10.448,1061 12.908,1062 6.849,1063 20.563,1064 10.084,1065 3.394,1066 0.231,1067 18.49,1068 1.434,1069 11.516,1070 14.286,1071 7.625,1072 23.002,1073 11.067,1074 3.154,1075 12.509,1076 20.405,1077 0.587,1078 12.733,1079 15.844,1080 8.526,1081 25.515,1082 12.244,1083 2.621,1084 10.91,1085 22.332,1086 4.7,1087 13.876,1088 17.302,1089 9.342,1090 27.996,1091 13.311,1092 2.438,1093 8.098,1094 24.269,1095 4.177,1096 15.076,1097 18.839,1098 10.216,1099 30.503,1100 14.459,1101 2.359,1102 7.016,1103 26.214,1104 3.457,1105 16.252,1106 20.336,1107 11.051,1108 33.002,1109 15.564,1110 2.187,1111 6.451,1112 28.166,1113 3.395,1114 17.45,1115 21.868,1116 11.912,1117 35.511,1118 16.704,1119 1.997,1120 6.069,1121 30.123,1122 2.971,1123 18.641,1124 23.384,1125 12.755,1126 38.019,1127 17.827,1128 14702,1129 26583,1130 23.75,1131 40.472,1132 53.981,1133 55.836,1134 54.921,1135 53.985,1136 53.702,1137 70.742,1138 6.042,1139 155.9,1140 51.795,1141 5.8,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.874,1149 5.168,1150 17.357,1151 1.499,1152 1.551,1153 1.526,1154 1.5,1155 1.492,1156 1.965,1157 0.168,1158 4.331,1159 1.439,1160 4.115,1161 4.122,1162 4.737,1163 4.086,1164 7.717,1165 4.032,1166 4.009,1167 4.005,1168 3.993,1169 3.981,1170 7.474,1171 3.939,1172 3.848,1173 3.89,1174 3.925,1175 3.755,1176 6.999,1177 3.755,1178 3.682,1179 3.711,1180 3.777,1181 3.593,1182 6.351,1183 3.55,1184 3.581,1185 3.588,1186 3.519,1187 3.445,1188 4.932,1189 3.417,1190 3.459,1191 3.476,1192 3.386,1193 3.334,1194 4.899,1195 3.32,1196 3.159,1197 3.22,1198 3.157,1199 3.021,1200 4.679,1201 3.01,1202 3.066,1203 3.119,1204 3.015,1205 2.918,1206 4.268,1207 2.911,1208 0.135,1209 0.13,1210 0.203,1211 0.12,1212 0.094,1213 4.852,1214 0.131,1215 4.686,1216 0.065,1217 7.308,1218 0.347,1219 4.315,1220 0.088,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.168,1226 2.047,1227 2.026,1228 2.152,1229 2.123,1230 1.48,1231 2.142,1232 1.947,1233 1.954,1234 1.973,1235 2.009,1236 1.225,1237 2.044,1238 1.833,1239 1.796,1240 1.948,1241 1.949,1242 1.134,1243 1.958,1244 1.637,1245 1.599,1246 1.831,1247 1.806,1248 1.058,1249 1.816,1250 1.488,1251 1.469,1252 1.68,1253 1.676,1254 0.844,1255 1.682,1256 1.371,1257 1.377,1258 1.466,1259 1.518,1260 0.759,1261 1.564,1262 1.167,1263 1.107,1264 1.368,1265 1.354,1266 0.592,1267 1.388,1268 1.049,1269 0.998,1270 1.181,1271 1.252,1272 0.473,1273 1.273,1274 4.29,1276 5.624,1278 7.149,1280 8.764,1282 10.427,1285 5.878,1289 9.26,1290 3.103,1291 2.823,1294 -0.227,1300 38.238,1301 97.57,1302 210.828,1303 273.008,1304 313.008,1305 317.763,1306 317.763,1307 82.908,1308 7.923,1309 96.36,1310 104.74,1311 24,1312 12.715,1313 4.459,1314 3.7,1315 54.262,1316 148,1317 160,1318 0.179,1319 240.769,1320 423.4,1321 579.236,1322 30536,1323 1.7,1324 23.424,1325 0.71,1326 0.593,1327 24.174,1328 19.571,1329 15.815,1330 0.439,1331 0.352,1332 10.897,1333 14.346,1334 10.503,1335 8.631,1336 16.924,1337 12.688,1338 14.965,1339 0.293,1340 0.205,1341 16.673,1342 10.438,1343 11.587,1344 0.181,1345 0.121,1346 12.98,1347 7.775,1348 9.529,1349 0.115,1350 0.07,1351 10.718,1352 5.809,1353 7.966,1354 0.073,1355 0.041,1356 9.075,1357 4.509,1358 0.281,1359 109.309,1360 0.205,1361 30.742,1362 0.49,1363 174,1364 520.398,1365 238.244,1366 555.875,1367 730.19,1368 510,1369 202,1370 469.464,1371 266.977,1372 523.516,1373 755.6,1374 491,1375 5} {0 CHEMBL289377,1 1.524,2 13.5,3 2.696,4 7.268,5 112.883,6 7.331,7 0.531,8 4.115,9 4.216,10 3.664,11 3.587,12 5.234,13 3.586,14 4.65,15 4.809,16 3.934,17 3.919,18 5.733,19 3.902,20 4.781,21 4.949,22 3.943,23 4.028,24 5.836,25 3.965,26 4.934,27 5.154,28 3.851,29 4,30 5.92,31 3.915,32 4.881,33 5.112,34 3.794,35 3.958,36 5.786,37 3.867,38 4.82,39 5.05,40 3.792,41 3.969,42 5.711,43 3.864,44 4.857,45 5.093,46 3.811,47 3.976,48 5.802,49 3.876,50 4.79,51 5.02,52 3.793,53 3.982,54 5.688,55 3.889,56 0.044,57 0.75,58 11.679,59 5.312,60 9.527,61 6.631,62 0.546,63 1.143,64 23.316,65 8.077,66 41.022,67 10.116,68 0.432,69 1.288,70 25.94,71 10.113,72 37.387,73 13.057,74 0.593,75 1.379,76 32.92,77 11.061,78 64.883,79 14.749,80 0.569,81 1.318,82 31.445,83 10.557,84 51.432,85 14.328,86 0.469,87 1.315,88 28.544,89 10.296,90 40.889,91 14.371,92 0.623,93 1.343,94 30.361,95 10.341,96 57.156,97 14.508,98 0.41,99 1.312,100 27.672,101 9.737,102 38.101,103 13.555,104 15,105 41,106 0.251,107 0.572,108 0.751,109 0.81,110 0.857,111 0.857,112 3.44,113 0.903,114 -3.42,115 -3.4,116 -3.25,118 41.1,123 2,124 4,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 6,180 10,185 2,186 10,194 5,197 1,198 9,209 1,210 6,221 2,222 7,233 2,234 9,242 1,247 7,255 4,258 1,259 4,267 8,270 1938,271 20.67,272 20.67,273 20.67,274 20.67,275 20.67,276 18.51,277 23.169,278 12.496,279 21.422,280 15.665,281 15.665,282 15.665,283 15.665,284 15.665,285 12.37,286 24.182,287 5.801,288 16.624,289 4.283,290 2.333,291 1.241,292 0.884,293 0.598,294 0.598,295 4.124,299 1,300 1,301 849,302 4.062,305 105.092,306 243.536,313 2.067,314 27.055,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 66,326 405,327 4.185,328 3.649,329 6.022,330 3.812,331 2.819,332 3.767,333 1.674,334 8.544,335 2.793,336 4.035,337 3.061,338 5.592,339 3.633,340 2.689,341 3.635,342 1.151,343 7.724,344 2.582,345 3.957,346 2.924,347 5.479,348 3.592,349 2.642,350 3.49,351 1.151,352 7.335,353 2.462,354 3.729,355 2.729,356 5.314,357 3.375,358 2.407,359 3.067,360 0.86,361 6.86,362 2.334,363 3.492,364 2.655,365 5.112,366 3.168,367 2.237,368 2.767,370 6.284,371 2.072,372 3.348,373 2.423,374 5.019,375 3.085,376 2.144,377 2.41,379 6.049,380 1.997,381 2.865,382 2.003,383 4.121,384 2.421,385 1.465,386 1.918,388 3.559,389 1.382,390 2.582,391 1.811,392 3.506,393 2.142,394 1.251,395 1.61,397 2.711,398 1.112,399 2.5,400 1.461,401 3.414,402 2,403 1.114,404 1.5,406 2.465,407 1,408 2.5,409 1.32,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.253,418 1.165,419 3.413,420 1.984,421 1,422 1.237,424 2.275,425 0.959,426 2.118,427 1,428 3.092,429 1.554,430 0.647,431 0.927,433 1.423,434 0.577,435 1.775,436 1,437 3,438 1.537,439 0.618,440 0.708,442 1.372,443 0.568,444 1.637,445 0.965,446 2.791,447 1.377,448 0.503,449 0.554,451 0.844,452 0.435,453 1.469,454 0.618,455 2.547,456 1.119,457 0.203,458 0.236,460 0.278,461 0.182,462 13.967,463 0.466,464 0.499,465 0.017,466 37.5,467 1.25,468 18,469 0.6,470 19.5,471 0.65,472 23.31,473 0.777,474 33.433,475 0.597,476 29.248,477 0.975,478 8.143,479 0.271,480 6.531,481 0.218,482 0.095,484 0.243,487 0.833,488 1.465,489 0.782,490 1.293,491 0.655,492 1.069,493 1.402,494 0.848,495 1.045,496 0.818,497 0.9,498 0.846,499 0.976,500 1.212,501 1.094,502 1.268,503 0.794,504 1.218,505 1.236,506 1.007,507 1.096,508 1.049,509 1.341,510 1.048,511 1.13,512 0.933,513 1.01,514 0.945,515 0.933,516 0.956,517 0.701,518 1.087,519 0.945,520 1.094,521 0.523,522 1.072,523 0.802,524 0.989,525 0.93,526 0.943,527 0.723,528 0.958,529 0.883,530 0.982,531 0.962,532 0.922,533 0.628,534 0.946,535 5.5,536 0.16,537 2.667,538 0.972,539 0.919,540 0.723,541 0.374,542 0.24,543 0.273,544 0.197,545 12949,546 37529,547 2.051,548 46.4,550 23,551 1,552 2,558 1.729,559 1.957,560 3.694,561 -0.759,562 1,563 1,567 85.349,568 1.524,569 3.474,570 4.566,571 4.923,572 5.209,573 5.209,574 3.219,575 4.44,576 4.875,577 3.884,578 1689.62,579 8.508,580 25473.7,582 1,584 1,585 325.212,586 1.212,587 4.855,588 0.172,589 0.005,590 0.065,591 0.025,592 0.027,593 0.022,594 0.011,595 0.007,596 0.008,597 0.006,598 0.348,599 0.33,600 0.88,601 0.92,602 158.226,603 -0.02,604 -0.282,605 0.07,606 -0.18,607 -0.023,608 -0.06,609 -0.15,610 0.23,611 -0.064,612 0.176,613 -0.043,614 0.093,615 0.008,616 -0.173,617 -0.158,618 -0.23,619 0.04,620 -0.228,621 -0.119,622 -0.06,623 -0.088,624 -0.079,625 -0.114,626 -0.078,627 -0.091,628 0.01,629 -0.007,630 0.024,631 -0.078,632 0.024,633 0.086,634 -0.096,635 0.008,636 -0.098,637 0.051,638 -0.067,639 0.077,640 -0.015,641 0.047,642 0.033,643 0.073,644 0.034,645 -0.095,646 0.038,647 -0.011,648 0.067,649 -0.055,650 0.051,651 2.021,652 4.554,653 0.567,654 34.453,655 1.008,656 1.125,657 2.189,658 4.792,659 0.65,660 3.497,661 3.738,662 3.932,663 4.06,664 4.174,665 4.19,666 4.22,667 4.205,668 4.317,669 4.419,670 7.949,671 0.624,672 410.51,673 3.497,674 4.99,675 5.796,676 6.619,677 7.435,678 8.261,679 9.081,680 9.907,681 10.728,682 11.554,683 3.6,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 56,726 18,727 2,728 32,730 58,731 23,733 15,734 4,735 8,736 1,739 3,740 3,751 1,753 16,754 7,756 1,761 1,765 1,769 1,772 26,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 30,846 4,848 4,850 1,862 8.9,865 1,866 2,867 2,869 15.333,870 10.483,871 6.944,872 2.999,874 2.104,875 1.301,876 0.935,877 8.449,878 9.104,879 3.75,880 4.252,881 4.735,882 5.167,883 5.509,884 5.523,885 5.609,886 5.528,887 5.772,888 6.071,889 1,890 39,891 11.05,893 4.453,894 7.756,895 20.998,897 16.204,899 2.256,900 67.667,903 1,904 306.049,905 162.164,906 18.685,908 69.144,911 162.164,912 375.193,913 18.685,914 21.766,915 15.883,916 84.857,917 103.282,918 47.746,919 11.771,920 270.735,922 306.049,923 180.848,924 69.144,927 306.049,928 47.145,929 22,931 35.448,932 128.615,933 16.786,935 306.049,936 87.829,937 162.164,940 306.049,941 37.874,942 126.189,944 85.93,945 306.049,946 87.829,947 162.164,949 0.56,950 0.324,951 0.159,952 0.078,953 16,954 7,955 0.207,956 12,958 1,959 4.343,960 239.144,962 17,963 139.207,968 22.033,969 11.504,970 6.973,972 85.93,973 20.354,974 4.083,978 3.362,979 1.96,981 556.042,982 41.5,987 11.554,991 -0.354,994 56.443,995 63.026,996 0.262,997 0.598,998 0.786,999 0.848,1000 0.897,1001 0.897,1002 4.936,1003 1.251,1004 5.727,1005 3.559,1006 4.419,1007 4.938,1008 2.594,1009 6.415,1010 4.314,1011 6.088,1012 1.114,1013 7.212,1014 2.711,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.345,1021 1,1022 8.787,1023 2.465,1024 5.905,1025 6.997,1026 3.212,1027 10.049,1028 5.723,1029 8.635,1030 1,1031 10.416,1032 2.275,1033 6.089,1034 7.36,1036 11.497,1037 5.901,1038 9.955,1039 0.647,1040 12.079,1041 2.275,1042 7.617,1043 9.302,1044 4.011,1045 13.937,1046 7.376,1047 11.294,1048 0.618,1049 13.763,1050 1.423,1051 8.188,1052 10.054,1054 15.718,1055 7.936,1056 12.646,1057 0.503,1058 15.462,1059 1.372,1060 9.448,1061 11.728,1062 4.923,1063 17.957,1064 9.159,1065 2.819,1066 0.203,1067 17.171,1068 0.844,1069 10.218,1070 12.691,1072 19.9,1073 9.915,1074 2.689,1075 8.544,1076 18.89,1077 0.278,1078 11.348,1079 14.222,1080 5.898,1081 22.057,1082 11.019,1083 2.642,1084 7.724,1085 20.614,1086 3.767,1087 12.225,1088 15.308,1090 24.082,1091 11.881,1092 2.407,1093 7.335,1094 22.344,1095 3.635,1096 13.292,1097 16.755,1098 6.902,1099 26.21,1100 12.929,1101 2.237,1102 6.86,1103 24.079,1104 3.49,1105 14.227,1106 17.919,1108 28.279,1109 13.851,1110 2.144,1111 6.284,1112 25.819,1113 3.067,1114 15.264,1115 19.315,1116 7.92,1117 30.397,1118 14.872,1119 1.465,1120 6.049,1121 27.562,1122 2.767,1123 16.232,1124 20.528,1126 32.491,1127 15.83,1128 12628,1129 21613,1130 21.553,1131 36.421,1132 45.986,1133 47.402,1134 46.831,1135 45.378,1136 45.476,1137 58.648,1138 9.672,1139 119.996,1140 42.907,1141 5.116,1142 5.649,1143 5.638,1144 4.899,1145 4.819,1146 6.767,1147 3.349,1148 14.348,1149 4.793,1150 13.402,1151 1.437,1152 1.481,1153 1.463,1154 1.418,1155 1.421,1156 1.833,1157 0.302,1158 3.75,1159 1.341,1160 3.985,1161 4.027,1162 3.921,1163 3.888,1164 7.433,1165 3.889,1166 3.914,1167 3.947,1168 3.856,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.712,1176 4.877,1177 3.74,1178 3.575,1179 3.606,1180 3.477,1181 3.358,1182 4.758,1183 3.378,1184 3.424,1185 3.443,1186 3.335,1187 3.174,1188 4.603,1189 3.206,1190 3.305,1191 3.356,1192 3.164,1193 3.064,1194 4.481,1195 3.079,1196 3.133,1197 3.201,1198 2.936,1199 2.885,1200 4.39,1201 2.881,1202 3.049,1203 3.127,1204 2.841,1205 2.821,1206 4.236,1207 2.809,1208 0.131,1209 0.114,1210 0.188,1211 0.119,1212 0.088,1213 4.185,1214 0.118,1215 3.649,1216 0.052,1217 6.022,1218 0.267,1219 3.812,1220 0.087,1221 2.819,1222 3.767,1223 1.674,1224 8.544,1225 2.793,1226 1.922,1227 1.902,1228 2.03,1229 2.024,1230 1.209,1231 2.024,1232 1.899,1233 1.878,1234 2.014,1235 1.998,1236 1.142,1237 2.003,1238 1.683,1239 1.631,1240 1.866,1241 1.904,1242 1.116,1243 1.894,1244 1.373,1245 1.33,1246 1.603,1247 1.643,1248 0.703,1249 1.622,1250 1.311,1251 1.278,1252 1.596,1253 1.607,1254 0.64,1255 1.596,1256 1.281,1257 1.219,1258 1.548,1259 1.528,1260 0.6,1261 1.532,1262 1.206,1263 1.138,1264 1.453,1265 1.506,1266 0.561,1267 1.501,1268 1.109,1269 1.032,1270 1.42,1271 1.38,1272 0.516,1273 1.395,1274 4.174,1276 5.434,1277 2.398,1278 6.872,1279 4.443,1280 8.385,1281 6.26,1282 9.936,1284 3.012,1290 1.96,1292 21.89,1294 -0.155,1300 34.938,1301 85.349,1302 194.555,1303 255.702,1304 275.702,1305 291.702,1306 291.702,1307 53.56,1308 7,1309 71.81,1310 71.81,1311 17,1312 12.131,1313 4.248,1314 3.392,1315 55.276,1316 135,1317 158,1318 0.182,1319 216.437,1320 378.87,1321 519.867,1322 9985,1324 21.184,1325 0.706,1326 0.573,1327 21.184,1328 17.192,1329 14.673,1330 0.459,1331 0.301,1332 9.412,1333 13.861,1334 9.139,1335 7.628,1336 14.673,1337 9.629,1338 12.222,1339 0.298,1340 0.164,1341 12.222,1342 6.744,1343 10.233,1344 0.205,1345 0.091,1346 10.233,1347 4.566,1348 7.572,1349 0.133,1350 0.051,1351 7.572,1352 2.882,1353 5.484,1354 0.086,1355 0.029,1356 5.484,1357 1.83,1358 0.295,1359 93.869,1360 0.215,1361 29.088,1362 0.478,1363 146,1364 501.968,1365 164.028,1366 462.36,1367 612.92,1368 436,1369 164,1370 418.839,1371 182.642,1372 426.748,1373 610.58,1374 393,1375 5.9} {0 CHEMBL289621,1 1.63,2 13.1,3 2.367,4 5.601,5 115.11,6 7.689,7 0.531,8 4.115,9 4.207,10 3.839,11 3.652,12 5.173,13 3.611,14 4.67,15 4.819,16 4.051,17 3.987,18 5.876,19 3.945,20 4.842,21 5.005,22 4.017,23 4.086,24 5.952,25 4,26 4.942,27 5.162,28 3.893,29 4.045,30 5.941,31 3.935,32 4.914,33 5.158,34 3.81,35 3.968,36 5.825,37 3.859,38 4.784,39 5.008,40 3.838,41 3.947,42 5.677,43 3.841,44 4.833,45 5.055,46 3.857,47 3.976,48 5.86,49 3.876,50 4.825,51 5.062,52 3.861,53 4.01,54 5.706,55 3.897,56 0.086,57 0.783,58 14.114,59 5.974,60 17.842,61 6.843,62 0.516,63 1.215,64 26.446,65 9.307,66 62.922,67 10.758,68 0.581,69 1.37,70 30.196,71 11.313,72 62.409,73 13.565,74 0.562,75 1.442,76 35.021,77 12.15,78 66.038,79 15.521,80 0.617,81 1.363,82 33.774,83 11.345,84 63.834,85 15.048,86 0.508,87 1.289,88 30.314,89 10.459,90 44.947,91 13.837,92 0.617,93 1.335,94 29.576,95 10.419,96 69.532,97 13.946,98 0.518,99 1.359,100 31.492,101 10.695,102 48.731,103 14.056,104 21,105 43,106 0.267,107 0.576,108 0.766,109 0.819,110 0.848,111 0.848,112 3.44,113 1.069,114 -3.13,115 -3.13,116 -3.01,118 39.3,123 2,124 4,126 1,140 8,141 2,142 2,143 1,149 1,156 1,168 8,171 2,172 4,180 8,185 2,186 10,194 4,197 1,198 9,209 1,210 5,221 2,222 7,233 2,234 9,242 1,247 5,255 4,258 1,259 4,267 8,270 1914,271 20.065,272 20.065,273 20.065,274 20.065,275 20.065,276 17.696,277 23.057,278 11.99,279 20.904,280 15.75,281 15.75,282 15.75,283 15.75,284 15.75,285 12.178,286 24.567,287 5.655,288 17.03,289 4.177,290 2.297,291 1.134,292 0.813,293 0.634,294 0.634,295 4.121,299 1,300 1,301 824,302 4.301,305 105.052,306 243.257,313 1.92,314 33.726,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.76,325 66,326 393,327 4.801,328 5.18,329 7.111,330 4.179,331 3.313,332 4.66,333 2.95,334 11.657,335 2.844,336 4.035,337 3.063,338 5.594,339 3.636,340 2.698,341 3.635,342 1.151,343 7.729,344 2.582,345 3.961,346 2.925,347 5.479,348 3.6,349 2.643,350 3.491,351 1.151,352 7.335,353 2.481,354 3.884,355 2.77,356 5.353,357 3.458,358 2.488,359 3.428,360 0.86,361 7.005,362 2.396,363 3.494,364 2.659,365 5.112,366 3.173,367 2.248,368 2.767,370 6.285,371 2.073,372 3.366,373 2.565,374 5.024,375 3.091,376 2.153,377 2.451,379 6.066,380 2.002,381 3.092,382 2.379,383 4.58,384 2.597,385 1.629,386 2.278,388 4.697,389 1.567,390 2.582,391 1.853,392 3.506,393 2.142,394 1.251,395 1.611,397 2.711,398 1.112,399 2.5,400 1.367,401 3.421,402 2,403 1.116,404 1.5,406 2.474,407 1,408 2.5,409 1.188,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.255,418 1.076,419 3.414,420 1.985,421 1,422 1.239,424 2.275,425 0.96,426 2.118,427 1,428 3.122,429 1.554,430 0.637,431 0.927,433 1.428,434 0.577,435 1.774,436 1,437 3,438 1.527,439 0.618,440 0.702,442 1.372,443 0.559,444 1.636,445 0.757,446 2.807,447 1.37,448 0.495,449 0.548,451 0.842,452 0.428,453 1.087,454 0.618,455 2.715,456 0.862,457 -0.055,458 -0.061,460 -0.117,461 -0.05,462 14.3,463 0.477,464 0.736,465 0.025,466 38.75,467 1.292,468 19.5,469 0.65,470 19.25,471 0.642,472 23.804,473 0.793,474 33.7,475 0.602,476 29.985,477 1,478 7.921,479 0.264,480 6.515,481 0.217,482 0.117,483 0.058,484 0.203,487 0.699,488 1.441,489 0.839,490 1.329,491 0.692,492 1.061,493 1.297,494 0.945,495 1.118,496 0.979,497 0.764,498 0.895,499 1.199,500 1.122,501 1.141,502 1.143,503 1.176,504 1.189,505 1.093,506 1.045,507 0.993,508 1.045,509 0.921,510 1.087,511 1.082,512 0.864,513 0.786,514 0.788,515 0.832,516 0.898,517 0.714,518 1.053,519 0.882,520 1.036,521 0.44,522 1.023,523 0.862,524 1.027,525 0.802,526 0.885,527 0.72,528 1.003,529 0.964,530 0.841,531 0.868,532 0.753,533 0.533,534 0.834,535 7,536 0.21,537 2.889,538 1.222,539 0.959,540 0.813,541 0.375,542 0.271,543 0.323,544 0.237,545 12829,546 39006,547 2.024,548 46.4,550 23,551 1,552 2,558 1.729,559 1.905,560 3.636,561 -0.726,562 1,563 1,567 91.283,568 1.63,569 3.51,570 4.673,571 4.995,572 5.173,573 5.173,574 3.073,575 4.282,576 4.876,577 3.86,578 1678.95,579 8.509,580 25246,582 1,584 1,585 325.212,586 1.433,587 4.835,588 0.219,589 0.007,590 0.067,591 0.031,592 0.028,593 0.025,594 0.011,595 0.008,596 0.009,597 0.007,598 0.413,599 0.33,600 0.88,601 0.812,602 157.979,603 0.049,604 -0.235,605 0.199,606 -0.127,607 -0.126,608 -0.029,609 -0.114,610 0.15,611 -0.085,612 0.068,613 0.144,614 0.06,615 -0.088,616 -0.109,617 -0.209,618 -0.148,619 -0.095,620 -0.221,621 -0.083,622 -0.104,623 -0.088,624 -0.119,625 -0.039,626 -0.113,627 -0.07,628 0.034,629 0.057,630 0.067,631 -0.057,632 0.068,633 0.099,634 -0.074,635 0.021,636 -0.089,637 0.051,638 -0.029,639 0.061,640 -0.068,641 0.008,642 -0.017,643 0.053,644 -0.038,645 -0.119,646 0.142,647 0.043,648 0.178,649 -0.04,650 0.151,651 4.124,652 4.596,653 0.567,654 33.52,655 1.009,656 1.124,657 1.9,658 3.611,659 0.662,660 3.497,661 3.784,662 3.932,663 4.06,664 4.174,665 4.22,666 4.22,667 4.174,668 4.344,669 4.419,670 7.872,671 0.627,672 430.57,673 3.497,674 5.017,675 5.82,676 6.663,677 7.479,678 8.322,679 9.143,680 9.986,681 10.808,682 11.651,683 3.6,691 1,693 1,699 11,700 1,704 4,705 1,706 17,722 1,724 56,726 19,727 2,728 32,730 58,731 22,733 15,734 4,735 8,739 3,740 3,751 1,753 15,754 7,756 2,760 1,761 2,769 1,772 26,773 6,775 8,776 1,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,834 1,836 2,840 30,843 1,846 4,848 3,850 1,862 8.9,865 2,866 2,867 1,869 15.75,870 10.4,871 6.667,872 2.95,874 2.172,875 1.31,876 0.952,877 7.912,878 9.172,879 3.773,880 4.347,881 4.761,882 5.2,883 5.545,884 5.625,885 5.703,886 5.494,887 5.833,888 6.101,889 0.889,890 39,891 11.236,893 4.784,894 7.847,895 21.111,897 16.856,899 2.347,900 70.417,903 1,904 306.049,905 155.691,906 18.685,908 77.313,910 6.046,911 149.645,912 383.361,913 18.685,914 18.073,915 15.883,916 90.903,917 115.259,918 35.112,919 11.771,920 270.735,922 306.049,923 168.33,924 77.313,925 6.046,927 306.049,928 55.313,929 22,931 35.448,932 116.096,933 22.831,935 306.049,936 95.997,937 155.691,939 6.046,940 306.049,941 29.048,942 122.496,944 94.098,945 306.049,946 95.997,947 155.691,949 0.576,950 0.315,951 0.15,952 0.075,953 18,954 8,955 0.19,956 11,958 1,959 4.288,960 241.62,962 17,963 137.207,967 1,968 22.35,969 10.62,970 7.15,972 94.098,973 19.795,974 4.068,978 3.049,979 1.939,981 557.737,982 42.5,986 -3.207,987 23.191,994 56.52,995 62.946,996 0.281,997 0.604,998 0.805,999 0.86,1000 0.891,1001 0.891,1002 4.985,1003 1.251,1004 5.808,1005 4.697,1006 4.466,1007 5.034,1008 3.226,1009 6.564,1010 4.316,1011 6.193,1012 1.116,1013 7.343,1014 2.711,1015 4.111,1016 4.987,1018 7.627,1019 3.817,1020 7.513,1021 1,1022 8.99,1023 2.474,1024 6.066,1025 7.272,1026 5.079,1027 10.546,1028 5.741,1029 8.876,1030 1,1031 10.71,1032 2.275,1033 6.538,1034 8.082,1036 12.478,1037 6.02,1038 10.277,1039 0.637,1040 12.482,1041 2.275,1042 7.977,1043 9.868,1044 7.192,1045 15.022,1046 7.425,1047 11.707,1048 0.618,1049 14.292,1050 1.428,1051 8.819,1052 11.058,1054 17.29,1055 8.052,1056 13.158,1057 0.495,1058 16.133,1059 1.372,1060 10.073,1061 12.671,1062 9.349,1063 19.757,1064 9.242,1065 3.313,1066 -0.055,1067 17.999,1068 0.842,1069 11.092,1070 14.04,1072 22.147,1073 10.045,1074 2.698,1075 11.657,1076 19.884,1077 -0.117,1078 12.284,1079 15.593,1080 11.511,1081 24.601,1082 11.137,1083 2.643,1084 7.729,1085 21.785,1086 4.66,1087 13.389,1088 17.049,1090 27.034,1091 12.035,1092 2.488,1093 7.335,1094 23.7,1095 3.635,1096 14.566,1097 18.584,1098 13.675,1099 29.487,1100 13.083,1101 2.248,1102 7.005,1103 25.625,1104 3.491,1105 15.713,1106 20.081,1108 31.935,1109 14.033,1110 2.153,1111 6.285,1112 27.558,1113 3.428,1114 16.891,1115 21.613,1116 15.838,1117 34.389,1118 15.063,1119 1.629,1120 6.066,1121 29.497,1122 2.767,1123 18.061,1124 23.13,1126 36.842,1127 16.044,1128 12518,1129 21981,1130 21.148,1131 37.068,1132 46.809,1133 48.814,1134 46.681,1135 46.637,1136 46.579,1137 61.475,1138 12.223,1139 128.305,1140 43.16,1141 5.731,1142 7.18,1143 6.728,1144 5.271,1145 5.313,1146 7.66,1147 5.9,1148 18.533,1149 4.844,1150 15.238,1151 1.463,1152 1.525,1153 1.459,1154 1.457,1155 1.456,1156 1.921,1157 0.382,1158 4.01,1159 1.349,1160 4.083,1161 4.066,1162 4.735,1163 4.094,1164 7.716,1165 3.996,1166 3.95,1167 3.995,1168 3.895,1169 3.851,1170 6.999,1171 3.849,1172 3.903,1173 3.935,1174 3.842,1175 3.721,1176 4.963,1177 3.745,1178 3.705,1179 3.699,1180 3.739,1181 3.63,1182 4.877,1183 3.568,1184 3.539,1185 3.571,1186 3.441,1187 3.339,1188 4.743,1189 3.351,1190 3.308,1191 3.357,1192 3.172,1193 3.071,1194 4.592,1195 3.085,1196 3.113,1197 3.178,1198 2.929,1199 2.87,1200 4.404,1201 2.863,1202 3.005,1203 3.085,1204 2.815,1205 2.813,1206 4.238,1207 2.797,1208 0.15,1209 0.162,1210 0.222,1211 0.131,1212 0.104,1213 4.801,1214 0.146,1215 5.18,1216 0.092,1217 7.111,1218 0.364,1219 4.179,1220 0.089,1221 3.313,1222 4.66,1223 2.95,1224 11.657,1225 2.844,1226 1.983,1227 1.995,1228 2.021,1229 2.043,1230 1.248,1231 2.084,1232 1.9,1233 1.878,1234 2.011,1235 2.003,1236 1.188,1237 2.008,1238 1.693,1239 1.657,1240 1.865,1241 1.911,1242 1.123,1243 1.907,1244 1.573,1245 1.57,1246 1.603,1247 1.708,1248 0.912,1249 1.76,1250 1.36,1251 1.31,1252 1.594,1253 1.619,1254 0.7,1255 1.608,1256 1.281,1257 1.219,1258 1.546,1259 1.528,1260 0.608,1261 1.532,1262 1.21,1263 1.143,1264 1.453,1265 1.504,1266 0.537,1267 1.5,1268 1.071,1269 1.001,1270 1.386,1271 1.346,1272 0.512,1273 1.36,1274 4.174,1276 5.468,1277 2.398,1278 6.932,1279 4.443,1280 8.469,1281 6.26,1282 10.043,1284 2.831,1290 1.835,1292 17.104,1294 -0.188,1300 35.126,1301 91.283,1302 196.555,1303 261.702,1304 279.702,1305 289.702,1306 289.702,1307 64.529,1308 7,1309 79.65,1310 88.03,1311 17,1312 12.219,1313 4.322,1314 3.524,1315 55.284,1316 134,1317 158,1318 0.184,1319 220.903,1320 382.72,1321 530.764,1322 9911,1324 21.399,1325 0.713,1326 0.597,1327 21.649,1328 17.917,1329 14.436,1330 0.451,1331 0.356,1332 9.486,1333 12.957,1334 9.02,1335 7.51,1336 15.33,1337 11.4,1338 13.139,1339 0.306,1340 0.209,1341 14.526,1342 8.988,1343 9.964,1344 0.199,1345 0.113,1346 10.721,1347 5.671,1348 7.51,1349 0.132,1350 0.061,1351 8.026,1352 3.491,1353 5.383,1354 0.084,1355 0.035,1356 5.751,1357 2.22,1358 0.297,1359 100.695,1360 0.217,1361 29.027,1362 0.483,1363 150,1364 504.828,1365 199.784,1366 491.184,1367 646.8,1368 456,1369 168,1370 422.382,1371 223.823,1372 462.315,1373 655.42,1374 425,1375 4.604} {0 CHEMBL289812,1 1.62,2 7.737,3 2.182,4 4.762,5 71.286,6 7.978,7 0.714,8 3.597,9 3.708,10 3.217,11 3.13,12 4.802,13 3.136,14 4.078,15 4.235,16 3.582,17 3.526,18 5.341,19 3.512,20 4.235,21 4.404,22 3.521,23 3.615,24 5.361,25 3.555,26 4.384,27 4.601,28 3.42,29 3.578,30 5.45,31 3.494,32 4.276,33 4.523,34 3.343,35 3.446,36 5.293,37 3.366,38 4.155,39 4.373,40 3.265,41 3.331,42 5.329,43 3.253,44 4.029,45 4.277,46 2.782,47 3.042,48 5.138,49 2.933,50 3.63,51 3.892,52 2.492,53 2.622,54 4.752,55 2.519,56 0.063,57 0.487,58 5.803,59 2.638,60 8.546,61 3.198,62 0.239,63 0.772,64 10.679,65 4.26,66 32.315,67 5.495,68 0.158,69 0.858,70 12.659,71 5.518,72 17.891,73 7.057,74 0.276,75 0.922,76 17.104,77 6.094,78 37.016,79 8.113,80 0.255,81 0.811,82 16.452,83 5.723,84 31.325,85 7.966,86 0.233,87 0.722,88 13.493,89 4.955,90 23.217,91 6.814,92 0.316,93 0.57,94 13.733,95 4.224,96 49.789,97 5.513,98 0.27,99 0.377,100 9.437,101 2.805,102 29.089,103 3.918,104 11,105 30,106 0.299,107 0.74,108 0.858,109 0.885,110 0.885,111 0.885,112 3.011,113 0.85,114 -2.73,115 -2.75,116 -2.67,118 43.8,119 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 1,175 1,177 4,180 6,181 2,186 3,189 1,191 5,194 5,195 2,198 4,203 3,206 3,207 1,210 4,213 1,215 1,216 1,218 1,219 1,222 5,225 1,226 1,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 11.517,278 7.406,279 12.958,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 15.256,287 3.525,288 10.736,289 3.38,290 0.996,291 0.36,292 0.211,293 0.211,294 0.211,295 3.685,298 1,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 17.721,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41.5,326 147,327 4.638,328 3.584,329 6.704,330 4.181,331 3.198,332 4.594,333 1.437,334 10.835,335 3.144,336 4.05,337 3.288,338 5.922,339 3.684,340 2.696,341 3.55,342 0.522,343 8.225,344 2.659,345 3.904,346 2.701,347 5.583,348 3.443,349 2.51,350 3.427,352 7.379,353 2.333,354 3.457,355 2.259,356 5.231,357 3.014,358 2.035,359 2.817,361 6.218,362 1.983,363 3.125,364 1.843,365 4.78,366 2.651,367 1.684,368 2.387,370 4.99,371 1.625,372 2.766,373 1.772,374 3.803,375 2.24,376 1.249,377 1.785,379 2.928,380 1.22,381 2.573,382 1.22,383 3.591,384 2.073,385 1.134,386 1.598,388 2.58,389 1.061,390 2.175,391 0.944,392 3.368,393 1.742,394 0.761,395 1.04,397 1.912,398 0.745,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.283,409 0.472,410 2.773,411 0.942,412 -0.019,413 -0.023,415 -0.049,416 -0.018,417 0.796,418 0.186,419 2.379,420 0.395,421 -0.564,422 -0.713,424 -1.469,425 -0.534,426 0.649,427 -0.361,428 2.241,429 0.181,430 -0.819,431 -1.14,433 -2,434 -0.816,435 0.446,436 -0.749,437 2.087,438 0.001,439 -1,440 -1.303,442 -2.496,443 -0.953,444 0.251,445 -0.917,446 1.666,447 -0.11,448 -1.065,449 -1.487,451 -2.869,452 -1.046,453 -0.118,454 -1.224,455 1.338,456 -0.504,457 -1.471,458 -1.828,460 -3.618,461 -1.414,462 8.867,463 0.467,464 0.524,465 0.028,466 26.25,467 1.382,468 13.5,469 0.711,470 12.75,471 0.671,472 12.167,473 0.64,474 19.933,475 0.623,476 17.073,477 0.899,478 5.418,479 0.285,480 3.73,481 0.196,482 0.132,484 0.383,487 0.864,488 1.309,489 0.742,490 0.987,491 0.726,492 0.862,493 0.614,494 0.966,495 0.76,496 0.825,497 0.379,498 0.802,499 0.736,500 1.152,501 1.06,502 1.236,503 0.645,504 1.214,505 1.019,506 1.104,507 1.148,508 1.125,509 0.922,510 1.151,511 0.772,512 0.877,513 0.828,514 0.888,515 0.721,516 0.869,517 0.681,518 1.169,519 0.975,520 1.229,521 0.699,522 1.172,523 1.544,524 0.818,525 1.273,526 0.876,527 1.696,528 1.006,529 1.086,530 0.714,531 1.014,532 0.747,533 1.425,534 0.861,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 9991,547 2.081,548 40.6,549 3,550 5,551 1,552 2,553 2,558 1.603,559 1.932,560 2.969,561 0.393,563 1,564 1,565 1,567 51.836,568 1.62,569 4.004,570 4.64,571 4.789,572 4.789,573 4.789,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,584 1,585 160,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.67,600 1,601 0.868,602 81.64,603 -0.118,604 -0.169,605 0.02,607 -0.104,608 0.028,609 0.13,610 0.154,611 0.071,612 0.14,613 0.22,614 0.111,615 -0.053,616 -0.112,617 -0.22,618 -0.24,619 -0.007,620 -0.259,621 -0.15,622 -0.137,623 -0.19,624 -0.158,625 -0.094,626 -0.175,627 0.022,628 0.049,629 0.18,630 0.094,631 0.016,632 0.157,633 0.16,634 -0.216,635 -0.009,636 -0.257,637 0.106,638 -0.184,639 -0.299,640 0.046,641 -0.187,642 0.084,643 -0.324,644 -0.012,645 0.12,646 0.146,647 0.104,648 0.206,649 -0.143,650 0.15,651 2.571,652 3.996,653 0.737,654 13.645,655 1.012,656 1.125,657 1.503,658 2.258,659 0.679,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.66,672 255.3,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 9.4,691 2,693 1,698 2,699 6,700 1,701 1,704 3,705 1,706 15,714 1,724 32,726 16,727 1,728 21,730 34,731 14,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 2,756 1,761 1,765 1,769 1,772 13,773 3,774 2,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,830 1,832 2,836 1,840 19,845 1,846 1,862 6.3,864 1,865 1,869 9.833,870 6.017,871 4.111,872 1.764,874 2.886,875 1.437,876 0.991,877 2.875,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.979,893 2.99,894 7.921,895 13.117,897 10.754,899 2.421,900 46,901 0.001,904 129.482,905 80.828,906 35.47,908 67.828,911 80.828,912 197.31,913 35.47,914 8.825,915 2.106,916 37.476,917 117.684,918 36.676,919 16.672,920 94.169,922 129.482,923 116.298,924 67.828,927 129.482,928 67.828,931 47.282,932 52.231,933 16.786,935 129.482,936 103.298,937 80.828,940 129.482,941 16.861,942 65.866,943 16.786,944 84.614,945 129.482,946 103.298,947 80.828,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.088,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,968 11.994,969 4.555,970 2.15,971 1.91,972 84.614,973 10.521,974 4.011,975 3.327,978 2.45,979 1.968,980 59.469,981 313.609,982 29.5,987 10.996,991 -0.904,994 32.378,995 35.99,996 0.324,997 0.801,998 0.928,999 0.958,1000 0.958,1001 0.958,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 4.047,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.687,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.608,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 6.078,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.487,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 8.321,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.544,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.543,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.7,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.772,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 13.909,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 15.015,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 16.148,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 17.27,1128 3153,1129 5643,1130 13.929,1131 21.733,1132 32.326,1133 32.621,1134 32.535,1135 31.765,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 30.695,1141 5.422,1142 5.584,1143 6.318,1144 5.242,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 5.144,1150 8.916,1151 1.539,1152 1.553,1153 1.549,1154 1.513,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.462,1160 4.155,1161 4.189,1162 4.117,1163 4.068,1164 7.475,1165 4.076,1166 3.883,1167 3.946,1168 3.828,1169 3.683,1170 6.351,1171 3.712,1172 3.562,1173 3.584,1174 3.514,1175 3.417,1176 4.99,1177 3.431,1178 3.198,1179 3.253,1180 3.087,1181 2.991,1182 4.887,1183 3.005,1184 3.061,1185 3.124,1186 2.891,1187 2.833,1188 4.224,1189 2.837,1190 2.779,1191 2.867,1192 2.625,1193 2.625,1194 3.878,1195 2.598,1196 2.773,1197 2.839,1198 2.56,1199 2.451,1200 3.63,1201 2.496,1202 2.471,1203 2.57,1204 2.262,1205 2.277,1206 3.513,1207 2.263,1208 0.221,1209 0.171,1210 0.319,1211 0.199,1212 0.152,1213 4.638,1214 0.219,1215 3.584,1216 0.068,1217 6.704,1218 0.516,1219 4.181,1220 0.15,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 3.144,1226 1.949,1227 1.932,1228 2.028,1229 2.029,1230 1.193,1231 2.027,1232 1.72,1233 1.665,1234 1.868,1235 1.919,1236 1.061,1237 1.908,1238 1.405,1239 1.344,1240 1.627,1241 1.613,1242 0.723,1243 1.619,1244 1.286,1245 1.228,1246 1.478,1247 1.524,1248 0.466,1249 1.512,1250 1.219,1251 1.185,1252 1.349,1253 1.507,1254 0.335,1255 1.452,1256 0.889,1257 0.82,1258 1.15,1259 1.211,1260 0.203,1261 1.198,1262 0.808,1263 0.733,1264 1.1,1265 0.995,1266 0.174,1267 1.036,1268 0.579,1269 0.513,1270 0.92,1271 0.915,1273 0.94,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1284 1.997,1289 9.027,1290 0.697,1300 21.128,1301 51.836,1302 128.126,1303 148.49,1304 153.245,1305 153.245,1306 153.245,1307 25.577,1308 6.603,1309 70.91,1310 70.91,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 130.767,1320 213.08,1321 310.831,1322 5367,1324 13.405,1325 0.706,1326 0.548,1327 13.405,1328 10.421,1329 9.148,1330 0.436,1331 0.283,1332 5.861,1333 8.772,1334 5.697,1335 4.737,1336 9.148,1337 5.952,1338 8.482,1339 0.283,1340 0.151,1341 8.482,1342 4.529,1343 7.167,1344 0.179,1345 0.083,1346 7.167,1347 3.309,1348 5.782,1349 0.111,1350 0.043,1351 5.782,1352 2.236,1353 4.286,1354 0.07,1355 0.024,1356 4.286,1357 1.453,1358 0.399,1359 57.563,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 311.508,1365 112.007,1366 303.598,1367 411.51,1368 282,1369 121,1370 301.85,1371 130.872,1372 308.341,1373 447.36,1374 288,1375 7.432} {0 CHEMBL289931,1 1.488,2 15.971,3 4.273,4 18.255,5 132.66,6 7.501,7 0.605,8 4.236,9 4.333,10 3.811,11 3.758,12 5.361,13 3.752,14 4.756,15 4.901,16 4.098,17 4.096,18 5.86,19 4.074,20 4.938,21 5.11,22 4.096,23 4.184,24 5.984,25 4.121,26 5.03,27 5.246,28 4.012,29 4.125,30 6.034,31 4.051,32 4.977,33 5.195,34 3.994,35 4.1,36 5.971,37 4.033,38 4.914,39 5.114,40 4.012,41 4.155,42 5.906,43 4.071,44 5.006,45 5.228,46 3.998,47 4.198,48 5.978,49 4.094,50 4.968,51 5.206,52 3.939,53 4.174,54 5.844,55 4.066,56 0.029,57 0.83,58 12.472,59 6.006,60 9.806,61 7.306,62 0.453,63 1.31,64 24.315,65 9.387,66 39.357,67 11.343,68 0.466,69 1.507,70 30.061,71 11.929,72 43.108,73 14.961,74 0.552,75 1.581,76 35.784,77 12.706,78 63.137,79 16.336,80 0.601,81 1.502,82 34.289,83 11.972,84 62.647,85 15.349,86 0.459,87 1.504,88 29.99,89 11.682,90 47.936,91 15.374,92 0.607,93 1.633,94 34.102,95 12.758,96 63.91,97 17.157,98 0.413,99 1.601,100 32.99,101 12.309,102 43.291,103 16.825,104 6,105 49,106 0.236,107 0.538,108 0.719,109 0.815,110 0.857,111 0.857,112 3.588,113 0.895,114 -4.49,115 -4.42,116 -4.16,118 44.4,123 1,124 4,126 1,140 13,141 3,142 2,143 1,149 1,154 1,156 1,168 14,171 2,172 8,180 14,185 2,186 12,194 7,197 1,198 12,206 2,209 1,210 8,218 6,221 2,222 8,229 9,233 2,234 9,242 9,247 7,255 8,258 1,259 6,267 9,270 2779,271 24.231,272 24.231,273 24.231,274 24.231,275 24.231,276 21.32,277 25.326,278 14.809,279 24.925,280 18.737,281 18.737,282 18.737,283 18.737,284 18.737,285 14.448,286 27.67,287 7.037,288 19.74,289 4.489,290 2.589,291 1.454,292 0.849,293 0.583,294 0.583,295 4.286,300 1,301 1202,302 4.123,305 124.702,306 435.333,313 2.374,314 30.291,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 76,326 559,327 4.211,328 3.683,329 6.06,330 3.842,331 2.858,332 3.782,333 1.674,334 8.729,335 2.808,336 4.035,337 3.062,338 5.593,339 3.634,340 2.693,341 3.635,342 1.151,343 7.727,344 2.582,345 3.958,346 2.924,347 5.479,348 3.595,349 2.642,350 3.49,351 1.151,352 7.335,353 2.47,354 3.898,355 2.742,356 5.372,357 3.474,358 2.512,359 3.448,360 0.86,361 7.066,362 2.402,363 3.682,364 2.668,365 5.262,366 3.305,367 2.337,368 3.037,370 6.681,371 2.271,372 3.492,373 2.65,374 5.112,375 3.165,376 2.227,377 2.767,379 6.283,380 2.071,381 3.347,382 2.42,383 5.018,384 3.082,385 2.139,386 2.41,388 6.044,389 1.996,390 2.963,391 1.993,392 4.102,393 2.512,394 1.542,395 2.129,397 3.647,398 1.484,399 2.725,400 1.809,401 3.542,402 2.227,403 1.259,404 1.738,406 2.837,407 1.212,408 2.581,409 1.587,410 3.505,411 2.142,412 1.23,413 1.608,415 2.709,416 1.111,417 2.5,418 1.32,419 3.414,420 2,421 1.093,422 1.5,424 2.454,425 1,426 2.5,427 1.166,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.409,438 2,439 1,440 1.5,442 2.275,443 1,444 2.252,445 1,446 3.247,447 1.977,448 1,449 1.235,451 2.136,452 0.954,453 2.118,454 1,455 3.09,456 1.554,457 0.63,458 0.927,460 1.406,461 0.577,462 16.467,463 0.47,464 0.567,465 0.016,466 47,467 1.343,468 24.5,469 0.7,470 22.5,471 0.643,472 26.726,473 0.764,474 37.533,475 0.596,476 37.247,477 1.064,478 9.955,479 0.284,480 7.236,481 0.207,482 0.051,484 0.237,487 0.82,488 1.328,489 0.76,490 1.178,491 0.661,492 0.995,493 1.308,494 0.95,495 1.033,496 0.935,497 0.858,498 0.927,499 1.106,500 1.144,501 1.099,502 1.193,503 0.856,504 1.156,505 1.304,506 0.989,507 1.053,508 1.021,509 1.201,510 0.998,511 1.362,512 0.843,513 1,514 0.842,515 1.405,516 0.855,517 0.859,518 1.069,519 1.007,520 1.076,521 0.923,522 1.069,523 0.826,524 1.015,525 1.006,526 0.994,527 0.867,528 1.026,529 0.824,530 0.944,531 0.95,532 0.908,533 0.62,534 0.94,535 6,536 0.181,537 2.667,538 1.16,539 1.231,540 0.841,541 0.374,542 0.319,543 0.33,544 0.187,545 21469,546 58310,547 2.109,548 44.4,550 25,551 1,552 2,558 1.766,559 2.039,560 3.924,561 -0.794,567 93.747,568 1.488,569 3.388,570 4.523,571 5.128,572 5.394,573 5.394,574 3.407,575 4.672,576 5.098,577 4.122,578 2452.67,579 8.944,580 42012.1,585 376.569,586 1.069,587 5.09,588 0.158,589 0.005,590 0.054,591 0.025,592 0.03,593 0.02,594 0.009,595 0.008,596 0.008,597 0.005,598 0.322,599 0.17,600 0.75,601 0.529,602 194.967,603 -0.013,604 -0.213,605 0.07,606 -0.13,607 -0.032,608 -0.035,609 -0.097,610 0.118,611 -0.085,612 0.049,613 -0.02,614 -0.002,615 -0.007,616 -0.15,617 -0.14,618 -0.194,619 0.016,620 -0.192,621 -0.097,622 -0.042,623 -0.022,624 -0.053,625 -0.019,626 -0.028,627 -0.129,628 0.106,629 0.037,630 0.126,631 -0.094,632 0.114,633 0.04,634 -0.066,635 -0.051,636 -0.082,637 -0.007,638 -0.083,639 0.057,640 -0.031,641 -0.029,642 -0.008,643 0.015,644 -0.031,645 -0.066,646 0.052,647 0.019,648 0.075,649 -0.046,650 0.067,651 2.061,652 5.355,653 0.657,654 47.726,655 1.005,656 1.118,657 3.262,658 10.641,659 0.67,660 3.664,661 3.912,662 4.111,663 4.277,664 4.419,665 4.407,666 4.454,667 4.511,668 4.635,669 4.71,670 9.197,671 0.642,672 472.58,673 3.664,674 5.165,675 5.974,676 6.801,677 7.62,678 8.45,679 9.272,680 10.103,681 10.927,682 11.758,683 3.2,691 1,693 1,699 16,700 1,704 5,705 1,706 23,715 1,722 1,724 63,726 24,727 3,728 38,730 66,731 28,733 21,734 5,735 13,736 1,739 4,740 4,751 1,753 22,754 6,756 1,761 1,765 1,772 28,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 3,831 2,832 4,836 1,840 35,846 4,848 4,850 1,862 7.9,865 1,866 2,867 2,869 17.167,870 11.4,871 7.944,872 3.485,874 2.888,875 1.383,876 0.962,877 9.069,878 10.433,879 3.942,880 4.463,881 4.953,882 5.42,883 5.805,884 5.777,885 5.938,886 6.084,887 6.396,888 6.688,889 0.909,890 46,891 12.914,893 5.303,894 7.71,895 24.601,897 19.335,899 2.21,900 77.333,904 329.591,905 203.905,906 18.685,908 69.144,911 203.905,912 398.735,913 18.685,914 10.883,915 15.883,916 132.239,917 103.282,918 52.99,919 11.771,920 294.278,922 329.591,923 222.59,924 69.144,927 329.591,928 47.145,929 22,931 35.448,932 170.357,933 16.786,935 329.591,936 87.829,937 203.905,940 329.591,941 43.118,942 162.687,944 85.93,945 329.591,946 87.829,947 203.905,949 0.562,950 0.319,951 0.164,952 0.084,953 20,954 8,955 0.197,956 13,958 1,959 4.874,960 300.605,962 23,963 167.525,968 24.676,969 12.863,970 7.791,972 85.93,973 29.423,974 4.105,978 3.823,979 1.962,981 621.325,982 50.5,987 12.355,991 -0.395,994 63.327,995 70.441,996 0.249,997 0.567,998 0.757,999 0.858,1000 0.902,1001 0.902,1002 5.128,1003 1.542,1004 5.9,1005 6.044,1006 4.595,1007 5.15,1008 2.594,1009 6.586,1010 4.499,1011 6.283,1012 1.259,1013 7.377,1014 3.647,1015 3.892,1016 4.605,1018 7.195,1019 3.774,1020 7.538,1021 1.23,1022 8.945,1023 2.837,1024 6.075,1025 7.215,1026 3.212,1027 10.212,1028 5.897,1029 8.825,1030 1.093,1031 10.568,1032 2.709,1033 6.217,1034 7.503,1036 11.633,1037 6.01,1038 10.141,1039 1,1040 12.225,1041 2.454,1042 7.782,1043 9.516,1044 4.011,1045 14.101,1046 7.534,1047 11.475,1048 1,1049 13.905,1050 2.275,1051 8.323,1052 10.202,1054 15.868,1055 8.044,1056 12.824,1057 1,1058 15.6,1059 2.275,1060 9.609,1061 11.933,1062 4.923,1063 18.13,1064 9.3,1065 2.858,1066 0.63,1067 17.307,1068 2.136,1069 10.36,1070 12.841,1072 20.069,1073 10.02,1074 2.693,1075 8.729,1076 19.023,1077 1.406,1078 11.508,1079 14.414,1080 5.898,1081 22.249,1082 11.145,1083 2.642,1084 7.727,1085 20.746,1086 3.782,1087 12.376,1088 15.458,1090 24.278,1091 11.985,1092 2.512,1093 7.335,1094 22.475,1095 3.635,1096 13.456,1097 16.934,1098 6.902,1099 26.428,1100 13.044,1101 2.337,1102 7.066,1103 24.209,1104 3.49,1105 14.389,1106 18.066,1108 28.508,1109 13.953,1110 2.227,1111 6.681,1112 25.948,1113 3.448,1114 15.435,1115 19.482,1116 7.92,1117 30.649,1118 14.981,1119 2.139,1120 6.283,1121 27.691,1122 3.037,1123 16.407,1124 20.671,1126 32.759,1127 15.931,1128 20287,1129 33594,1130 26.118,1131 42.182,1132 55.15,1133 56.375,1134 55.255,1135 54.503,1136 54.546,1137 71.894,1138 9.672,1139 143.635,1140 51.841,1141 5.142,1142 5.683,1143 5.862,1144 4.933,1145 4.858,1146 6.782,1147 3.349,1148 14.902,1149 4.808,1150 11.903,1151 1.451,1152 1.484,1153 1.454,1154 1.434,1155 1.435,1156 1.892,1157 0.255,1158 3.78,1159 1.364,1160 3.997,1161 4.033,1162 3.935,1163 3.901,1164 7.433,1165 3.903,1166 3.922,1167 3.959,1168 3.863,1169 3.842,1170 4.965,1171 3.842,1172 3.903,1173 3.933,1174 3.842,1175 3.794,1176 4.881,1177 3.789,1178 3.857,1179 3.885,1180 3.787,1181 3.712,1182 4.835,1183 3.74,1184 3.57,1185 3.603,1186 3.469,1187 3.356,1188 4.739,1189 3.376,1190 3.353,1191 3.376,1192 3.279,1193 3.139,1194 4.595,1195 3.165,1196 3.279,1197 3.312,1198 3.153,1199 3.056,1200 4.409,1201 3.07,1202 3.09,1203 3.154,1204 2.904,1205 2.826,1206 4.244,1207 2.823,1208 0.111,1209 0.097,1210 0.159,1211 0.101,1212 0.075,1213 4.211,1214 0.1,1215 3.683,1216 0.044,1217 6.06,1218 0.23,1219 3.842,1220 0.074,1221 2.858,1222 3.782,1223 1.674,1224 8.729,1225 2.808,1226 1.928,1227 1.91,1228 2.035,1229 2.031,1230 1.209,1231 2.03,1232 1.899,1233 1.878,1234 2.015,1235 2.002,1236 1.143,1237 2.006,1238 1.861,1239 1.835,1240 1.988,1241 1.955,1242 1.116,1243 1.966,1244 1.683,1245 1.63,1246 1.865,1247 1.898,1248 1.038,1249 1.892,1250 1.369,1251 1.321,1252 1.597,1253 1.628,1254 0.703,1255 1.613,1256 1.282,1257 1.234,1258 1.551,1259 1.537,1260 0.63,1261 1.54,1262 1.259,1263 1.217,1264 1.454,1265 1.521,1266 0.593,1267 1.505,1268 1.18,1269 1.12,1270 1.437,1271 1.451,1272 0.516,1273 1.441,1274 4.344,1276 5.609,1277 2.398,1278 7.054,1279 4.443,1280 8.572,1281 6.26,1282 10.127,1284 1.646,1290 1.904,1292 22.686,1294 -0.176,1300 40.465,1301 93.747,1302 213.443,1303 284.953,1304 323.059,1305 339.814,1306 339.814,1307 60.491,1308 7.545,1309 71.81,1310 71.81,1311 23,1312 12.332,1313 4.644,1314 3.755,1315 59.598,1316 189,1317 203,1318 0.143,1319 248.223,1320 434.19,1321 597.425,1322 21625,1324 24.296,1325 0.694,1326 0.559,1327 24.296,1328 19.579,1329 17.191,1330 0.452,1331 0.298,1332 11.132,1333 16.41,1334 10.869,1335 9.041,1336 17.191,1337 11.336,1338 14.553,1339 0.297,1340 0.162,1341 14.553,1342 7.955,1343 12.019,1344 0.2,1345 0.089,1346 12.019,1347 5.334,1348 9.38,1349 0.132,1350 0.048,1351 9.38,1352 3.419,1353 7.011,1354 0.086,1355 0.027,1356 7.011,1357 2.203,1358 0.235,1359 108.676,1360 0.196,1361 33.243,1362 0.369,1363 174,1364 561.968,1365 193.357,1366 525.812,1367 707.65,1368 496,1369 196,1370 499.566,1371 215.971,1372 506.229,1373 728.26,1374 471,1375 6.252} {0 CHEMBL290046,1 1.76,2 7.833,3 2.264,4 5.127,5 70.442,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.708,13 3.098,14 3.936,15 4.054,16 3.681,17 3.541,18 5.256,19 3.473,20 4.074,21 4.215,22 3.602,23 3.557,24 5.209,25 3.442,26 4.116,27 4.325,28 3.313,29 3.417,30 5.171,31 3.306,32 3.873,33 4.061,34 3.202,35 3.227,36 5.038,37 3.148,38 3.885,39 4.077,40 3.111,41 3.096,42 5.101,43 3.018,44 3.539,45 3.739,46 2.888,47 2.861,48 4.627,49 2.74,50 3.328,51 3.503,52 2.747,53 2.559,54 4.588,55 2.431,56 0.062,57 0.393,58 4.01,59 2.486,60 7.972,61 2.491,62 0.23,63 0.661,64 7.857,65 4.056,66 29.291,67 4.115,68 0.159,69 0.715,70 13.07,71 5.817,72 14.424,73 5.934,74 0.227,75 0.737,76 16.28,77 6.09,78 29.361,79 6.797,80 0.11,81 0.561,82 8.696,83 4.175,84 11.118,85 5.118,86 0.231,87 0.584,88 12.552,89 4.432,90 30.444,91 4.52,92 0.128,93 0.406,94 7.549,95 3.213,96 20.632,97 3.578,98 0.245,99 0.348,100 9.143,101 2.799,102 23.729,103 2.471,104 6,105 28,106 0.334,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.96,113 0.938,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,180 8,181 2,186 4,191 2,194 6,195 1,198 4,203 1,206 2,207 2,210 5,215 2,219 2,222 5,227 2,234 1,235 1,246 1,247 1,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.199,279 12.517,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.468,288 10.501,289 3.047,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 15.82,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 141,327 4.518,328 3.588,329 6.339,330 4.006,331 3.059,332 4.455,333 1.437,334 9.768,335 2.897,336 4.005,337 3.022,338 5.745,339 3.604,340 2.658,341 3.534,342 0.522,343 7.828,344 2.512,345 3.834,346 2.746,347 5.518,348 3.383,349 2.428,350 3.292,352 7.24,353 2.294,354 3.474,355 2.242,356 5.003,357 3.021,358 2.054,359 2.821,361 5.926,362 1.974,363 3.028,364 1.657,365 4.41,366 2.493,367 1.528,368 2.288,370 4.3,371 1.461,372 2.637,373 1.505,374 3.709,375 2.106,376 1.185,377 1.652,379 2.682,380 1.083,381 2.554,382 1.226,383 3.431,384 1.979,385 1.039,386 1.509,388 2.491,389 0.945,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.95,400 0.537,401 3,402 1.397,403 0.475,404 0.692,406 1.211,407 0.429,408 1.142,409 0.424,410 2.726,411 0.773,412 -0.178,413 -0.228,415 -0.512,416 -0.167,417 0.686,418 0.003,419 2.25,420 0.192,421 -0.774,422 -1.05,424 -2,425 -0.728,426 0.479,427 -0.703,428 2,430 -0.96,431 -1.292,433 -2.203,434 -0.889,435 0.465,436 -0.896,437 1.868,438 -0.019,439 -1,440 -1.393,442 -2.666,443 -0.964,444 0.064,445 -1.16,446 1.384,447 -0.322,448 -1.274,449 -1.748,451 -3.496,452 -1.226,453 -0.095,454 -1.342,455 1.288,456 -0.565,457 -1.51,458 -1.984,460 -4.17,461 -1.393,462 8.8,463 0.489,464 0.452,465 0.025,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.078,473 0.615,474 18.2,475 0.65,476 15.118,477 0.84,478 5.01,479 0.278,480 3.71,481 0.206,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.707,492 0.761,493 0.609,494 0.729,495 0.831,496 0.71,497 0.385,498 0.762,499 0.637,500 1.182,501 1.176,502 1.369,503 0.68,504 1.277,505 0.846,506 0.922,507 1.066,508 1.017,509 0.783,510 1.002,511 0.633,512 1.101,513 0.639,514 0.928,515 0.553,516 1.059,517 1.319,518 1.099,519 1.135,520 1.09,521 1.316,522 1.068,523 0.952,524 1.009,525 0.867,526 0.888,527 0.998,528 1,529 1.44,530 0.972,531 1.68,532 1.231,533 1.8,534 1.025,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 10010,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.583,559 2,560 3.005,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.097,608 0.04,609 0.113,610 0.342,611 0.027,612 0.21,613 0.21,614 0.08,615 0.021,616 -0.236,617 -0.126,618 -0.315,619 -0.022,620 -0.303,621 -0.059,622 0.012,623 -0.06,624 -0.028,625 -0.027,626 0.053,627 0.052,628 -0.217,629 0.089,630 -0.111,631 0.101,632 -0.071,633 -0.192,634 -0.144,635 -0.13,636 -0.124,637 -0.163,638 -0.074,639 -0.073,640 -0.08,641 0.114,642 0.08,643 -0.123,644 0.034,645 0.046,646 0.108,647 -0.18,648 0.041,649 -0.277,650 -0.007,651 2.535,652 3.91,653 0.778,654 13.136,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.706,672 258.32,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.889,872 1.514,874 2.882,875 1.444,876 0.996,877 2.878,878 9.371,879 3.384,880 4.034,881 4.642,882 5.27,883 5.714,884 6.11,885 6.505,886 6.958,887 7.073,888 7.316,889 1,890 23,891 6.611,893 2.843,894 7.926,895 12.448,897 10.266,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 46.952,917 117.684,918 16.705,919 13.875,920 101.904,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 42.156,942 66.518,944 84.614,945 105.94,946 86.513,947 106.774,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.321,971 1.983,972 84.614,973 13.147,974 3.995,977 1.303,978 1.514,979 1.978,980 42.683,981 299.227,982 28.5,987 10.91,991 -0.868,994 28.469,995 30.996,996 0.366,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.932,1011 5.819,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.451,1020 7.13,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.983,1026 2.269,1027 10.044,1028 5.396,1029 8.479,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.672,1036 11.651,1037 5.712,1038 9.858,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.54,1044 2.925,1045 14.208,1046 7.131,1047 11.258,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.638,1054 16.168,1055 7.809,1056 12.675,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 12.277,1062 3.619,1063 18.54,1064 9.014,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 13.579,1072 20.666,1073 9.872,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 15.124,1080 4.33,1081 22.97,1082 10.984,1083 2.428,1084 7.828,1085 20.817,1086 4.455,1087 12.544,1088 16.524,1090 25.174,1091 11.934,1092 2.054,1093 7.24,1094 22.612,1095 3.534,1096 13.661,1097 18.033,1098 5.047,1099 27.455,1100 13.007,1101 1.528,1102 5.926,1103 24.413,1104 3.292,1105 14.723,1106 19.481,1108 29.696,1109 14.006,1110 1.185,1111 4.3,1112 26.219,1113 2.821,1114 15.829,1115 20.977,1116 5.769,1117 31.971,1118 15.064,1119 1.039,1120 2.682,1121 28.028,1122 2.288,1123 16.914,1124 22.447,1126 34.23,1127 16.089,1128 2864,1129 5379,1130 13.523,1131 20.614,1132 30.587,1133 30.79,1134 30.235,1135 30.074,1136 30.089,1137 42.343,1138 3.916,1139 85.638,1140 28.342,1141 5.288,1142 5.588,1143 5.954,1144 5.114,1145 5.059,1146 7.455,1147 2.873,1148 16.235,1149 4.897,1150 7.237,1151 1.529,1152 1.539,1153 1.512,1154 1.504,1155 1.504,1156 2.117,1157 0.196,1158 4.282,1159 1.417,1160 4.1,1161 4.114,1162 4.335,1163 4.115,1164 7.475,1165 4.066,1166 3.885,1167 3.94,1168 3.865,1169 3.699,1170 6.351,1171 3.719,1172 3.498,1173 3.503,1174 3.522,1175 3.403,1176 4.967,1177 3.388,1178 3.121,1179 3.137,1180 3.158,1181 2.918,1182 4.812,1183 2.924,1184 2.961,1185 3.012,1186 2.876,1187 2.811,1188 4.12,1189 2.823,1190 2.648,1191 2.71,1192 2.691,1193 2.492,1194 3.756,1195 2.452,1196 2.463,1197 2.563,1198 2.267,1199 2.267,1200 3.49,1201 2.246,1202 2.219,1203 2.301,1204 2.136,1205 2.036,1206 3.319,1207 2.01,1208 0.226,1209 0.179,1210 0.317,1211 0.2,1212 0.153,1213 4.518,1214 0.223,1215 3.588,1216 0.072,1217 6.339,1218 0.488,1219 4.006,1220 0.145,1221 3.059,1222 4.455,1223 1.437,1224 9.768,1225 2.897,1226 1.952,1227 1.933,1228 2.034,1229 2.021,1230 1.23,1231 2.031,1232 1.526,1233 1.529,1234 1.675,1235 1.733,1236 0.85,1237 1.72,1238 1.507,1239 1.461,1240 1.507,1241 1.631,1242 0.691,1243 1.618,1244 1.295,1245 1.228,1246 1.461,1247 1.525,1248 0.451,1249 1.513,1250 0.982,1251 0.948,1252 1.15,1253 1.184,1254 0.244,1255 1.168,1256 0.891,1257 0.863,1258 1.1,1259 1.087,1260 0.137,1261 1.126,1262 0.531,1263 0.518,1264 0.825,1265 0.764,1267 0.813,1268 0.404,1269 0.297,1270 0.692,1271 0.658,1273 0.731,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 8.961,1290 0.744,1300 19.767,1301 49.281,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 22.966,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.073,1313 4.087,1314 3.248,1315 25.846,1316 54,1317 40,1318 0.252,1319 125.511,1320 203.29,1321 298.007,1322 4778,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.72,1330 0.436,1331 0.313,1332 5.435,1333 7.955,1334 5.249,1335 4.338,1336 9.129,1337 6.254,1338 8.061,1339 0.288,1340 0.182,1341 8.703,1342 5.107,1343 6.544,1344 0.182,1345 0.106,1346 7.434,1347 3.82,1348 5.373,1349 0.114,1350 0.059,1351 6.169,1352 2.77,1353 3.993,1354 0.074,1355 0.034,1356 4.71,1357 1.818,1358 0.388,1359 58.672,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 304.036,1365 129.576,1366 316.412,1367 425.38,1368 294,1369 112,1370 290.339,1371 144.007,1372 312.534,1373 454.17,1374 292,1375 7.678} {0 CHEMBL290106,1 1.903,2 6.737,3 6.071,4 36.859,5 81.35,6 14.242,7 0.6,8 3.372,9 3.388,10 3.508,11 3.179,12 4.721,13 3.118,14 3.765,15 3.78,16 3.998,17 3.587,18 5.164,19 3.496,20 4.051,21 4.074,22 4.228,23 3.704,24 5.592,25 3.586,26 3.927,27 3.971,28 4.415,29 3.619,30 5.407,31 3.43,32 3.694,33 3.778,34 3.628,35 3.208,36 5.208,37 3.151,38 3.723,39 3.778,40 3.721,41 3.265,42 5.306,43 3.209,44 3.76,45 3.822,46 3.893,47 3.195,48 5.482,49 3.117,50 3.369,51 3.466,52 3.92,53 2.893,54 4.995,55 2.67,56 0.211,57 0.237,58 3.475,59 1.353,60 24.334,61 1.254,62 0.273,63 0.351,64 6.334,65 1.831,66 28.048,67 2.119,68 0.547,69 0.492,70 22.536,71 4.704,72 58.16,73 3.668,74 0.512,75 0.455,76 31.254,77 5.194,78 60.775,79 3.751,80 0.415,81 0.355,82 15.939,83 3.463,84 46.252,85 3.392,86 0.449,87 0.328,88 10.507,89 2.537,90 55.6,91 2.447,92 0.617,93 0.322,94 16.431,95 3.403,96 68.002,97 3,98 0.463,99 0.213,100 26.795,101 2.974,102 43.644,103 2.764,104 37,105 29,106 0.381,107 0.609,108 0.673,109 0.737,110 0.737,111 0.737,112 3.011,113 1.087,114 -5.32,115 -5.21,116 -4.87,118 48,140 4,142 8,180 10,191 8,206 11,215 4,226 1,229 6,239 6,255 9,270 388,271 12.016,272 12.016,273 12.016,274 12.016,275 12.016,276 10.253,277 9.443,278 6.806,279 12.737,280 9.803,281 9.803,282 9.803,283 9.803,284 9.803,285 7.273,286 7.394,287 3.224,288 11.26,289 2.741,290 1.6,291 1.28,292 0.96,293 0.96,294 0.96,295 3.656,297 4,300 1,301 260,302 2.236,306 123.216,313 0.964,314 29.296,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 41.333,326 128,327 4.436,328 4.598,329 6.448,330 3.978,331 3.076,332 4.125,333 2.95,334 9.892,335 2.733,336 4.311,337 3.49,338 6.3,339 3.834,340 2.921,341 4.005,343 9.301,344 2.624,345 3.477,346 3.132,347 5.196,348 2.993,349 2.145,350 2.793,352 6.22,353 1.74,354 3.434,355 2.783,356 4.971,357 2.937,358 2.081,359 2.75,361 5.746,362 1.694,363 3.373,364 2.731,365 4.971,366 2.889,367 2.044,368 2.644,370 5.72,371 1.646,372 3.128,373 2.714,374 4.879,375 2.634,376 1.747,377 2.359,379 5.185,380 1.473,381 1.806,382 1.731,383 3.43,384 1.431,385 0.659,386 0.725,388 1.627,389 0.468,390 1.565,391 1.526,392 2.94,393 1.154,394 0.378,395 0.426,397 0.879,398 0.259,399 1.171,400 0.536,401 2.714,402 0.701,403 -0.145,404 -0.183,406 -0.399,407 -0.109,408 0.909,409 0.349,410 2.653,411 0.405,412 -0.446,413 -0.564,415 -1.156,416 -0.283,417 0.613,418 0.247,419 2.313,420 0.092,421 -0.58,422 -0.665,424 -1.35,425 -0.306,426 0.348,427 0.212,428 1.577,429 -0.139,430 -0.802,431 -0.916,433 -1.975,434 -0.517,435 0.061,436 -0.526,437 1.533,438 -0.337,439 -1.163,440 -1.363,442 -2.993,443 -0.863,444 -0.165,445 -0.583,446 1.468,447 -0.605,448 -1.368,449 -1.618,451 -3.689,452 -1.01,453 -0.178,454 -1.179,455 1.291,456 -0.662,457 -1.454,458 -1.951,460 -4.429,461 -1.225,462 10.357,463 0.545,464 0.706,465 0.037,466 25,467 1.316,468 13.5,469 0.711,470 11.5,471 0.605,472 15.819,473 0.833,474 19.643,475 0.786,476 15.801,477 0.832,478 4.768,479 0.251,480 4.112,481 0.216,482 0.34,484 0.386,487 0.861,488 0.667,489 0.566,490 0.472,491 0.987,492 0.486,493 0.736,494 0.994,495 0.693,496 0.703,497 0.672,498 0.679,499 1.014,500 1.197,501 1.324,502 1.504,503 0.977,504 1.209,505 1.081,506 1.185,507 0.803,508 0.998,509 1.225,510 0.989,511 0.752,512 1.043,513 0.854,514 1.106,515 0.776,516 0.996,517 1.164,518 1.051,519 0.875,520 0.741,521 1.176,522 0.938,523 1.172,524 0.961,525 1.273,526 1.096,527 1.163,528 1.157,529 1.16,530 0.719,531 1.255,532 0.875,533 1.013,534 1.193,535 5.5,537 2.667,538 2,539 1.369,540 0.514,541 0.449,542 0.319,543 0.082,545 2744,546 15506,547 1.906,548 24,550 4,553 2,558 1.607,559 1.701,560 2.817,561 0.497,567 47.567,568 1.903,569 3.044,570 3.364,571 3.684,572 3.684,573 3.684,574 2.089,575 3.301,576 4.226,577 2.933,578 501.622,579 7.217,580 4965,585 116.096,586 1.557,587 4.121,588 0.275,590 0.092,591 0.067,592 0.057,593 0.026,594 0.021,595 0.018,596 0.009,598 0.565,599 0.5,600 1,601 0.749,602 81.077,603 -0.169,604 0.247,605 -0.043,606 0.195,607 -0.24,608 0.137,609 -0.076,610 -0.086,611 -0.038,612 0.029,613 -0.024,614 -0.004,615 -0.086,616 -0.193,617 -0.335,618 -0.451,619 -0.042,620 -0.326,621 -0.087,622 -0.116,623 0.296,624 0.229,625 -0.206,626 0.041,627 0.142,628 -0.066,629 -0.038,630 -0.184,631 0.175,632 0.031,633 -0.141,634 -0.158,635 -0.105,636 0.029,637 -0.071,638 -0.075,639 0.072,640 -0.057,641 -0.159,642 -0.163,643 0.088,644 -0.127,645 0.118,646 0.172,647 0.37,648 0.259,649 0.021,650 0.144,651 1.786,652 3.854,653 0.632,654 10.504,655 1.058,656 1.088,657 4.091,658 16.737,659 0.872,660 3.045,661 3.401,662 3.611,663 3.807,664 3.97,665 3.951,666 3.807,667 3.85,668 3.807,669 3.761,670 4.527,671 0.822,672 356.05,673 3.045,674 4.595,675 5.434,676 6.315,677 7.171,678 8.053,679 8.914,680 9.796,681 10.658,682 11.54,699 4,704 8,706 12,721 2,723 4,724 25,726 12,727 2,728 20,730 26,731 12,733 12,734 8,735 4,739 2,740 2,741 4,753 12,772 6,773 2,774 2,775 7,776 5,784 1,785 2,802 2,832 2,833 1,834 1,837 4,840 19,845 2,849 1,861 4,862 8,864 2,869 11.167,870 4.471,871 4.111,872 1.243,874 2.302,875 1.373,876 0.925,877 4.891,878 8.478,879 3.296,880 3.97,881 4.494,882 5.012,883 5.502,884 5.623,885 5.627,886 6.031,887 6.36,888 6.639,889 1,890 30,891 6.957,893 3.012,894 8.216,895 12.553,897 10.087,899 2.716,900 51.611,904 47.084,905 87.228,907 156.595,908 85.367,910 32.22,911 55.009,912 289.046,916 37.905,917 85.367,918 17.104,920 79.304,921 156.595,922 47.084,923 55.009,924 85.367,925 188.814,927 47.084,928 85.367,932 55.009,933 156.595,934 32.22,935 47.084,936 85.367,937 243.823,940 47.084,941 49.323,942 37.905,944 241.961,945 47.084,946 85.367,947 243.823,949 0.601,950 0.349,951 0.173,952 0.092,953 14,954 8,955 0.077,956 2,958 1,959 2.951,960 136.828,962 12,963 62.711,964 1,968 15.25,969 6.094,970 3.492,972 85.367,973 5.907,978 1.552,980 85.367,981 376.274,982 26,994 26.444,995 27.191,996 0.41,997 0.655,998 0.724,999 0.793,1000 0.793,1001 0.793,1002 4.543,1003 0.378,1004 5.468,1005 1.627,1006 4.078,1007 4.654,1008 2.913,1009 6.29,1010 3.793,1011 5.804,1012 -0.145,1013 7.054,1014 0.879,1015 3.892,1016 4.691,1018 7.186,1019 3.353,1020 7.142,1021 -0.446,1022 8.731,1023 -0.399,1024 5.7,1025 6.911,1026 5.027,1027 10.263,1028 5.208,1029 8.509,1030 -0.58,1031 10.456,1032 -1.156,1033 6.217,1034 7.636,1036 11.884,1037 5.477,1038 9.899,1039 -0.802,1040 12.211,1041 -1.35,1042 7.59,1043 9.422,1044 7.185,1045 14.518,1046 6.894,1047 11.305,1048 -1.163,1049 13.985,1050 -1.975,1051 8.426,1052 10.475,1054 16.475,1055 7.511,1056 12.725,1057 -1.368,1058 15.775,1059 -2.993,1060 9.637,1061 12.075,1062 9.348,1063 18.923,1064 8.727,1065 3.076,1066 -1.454,1067 17.577,1068 -3.689,1069 10.622,1070 13.297,1072 21.041,1073 9.522,1074 2.921,1075 9.892,1076 19.389,1077 -4.429,1078 11.769,1079 14.806,1080 11.511,1081 23.401,1082 10.635,1083 2.145,1084 9.301,1085 21.209,1086 4.125,1087 12.821,1088 16.115,1090 25.598,1091 11.522,1092 2.081,1093 6.22,1094 23.036,1095 4.005,1096 13.944,1097 17.576,1098 13.675,1099 27.915,1100 12.579,1101 2.044,1102 5.746,1103 24.868,1104 2.793,1105 15.026,1106 18.931,1108 30.152,1109 13.514,1110 1.747,1111 5.72,1112 26.704,1113 2.75,1114 16.14,1115 20.367,1116 15.838,1117 32.448,1118 14.542,1119 0.659,1120 5.185,1121 28.545,1122 2.644,1123 17.236,1124 21.746,1126 34.704,1127 15.504,1128 2870,1129 6902,1130 12.255,1131 21.795,1132 30.26,1133 34.319,1134 31.87,1135 30.42,1136 30.103,1137 39.655,1138 5.9,1139 89.14,1140 25.271,1141 5.208,1142 6.598,1143 5.448,1144 5.113,1145 5.076,1146 7.125,1147 5.9,1148 16.899,1149 4.733,1150 12.436,1151 1.513,1152 1.716,1153 1.594,1154 1.521,1155 1.505,1156 1.983,1157 0.295,1158 4.457,1159 1.264,1160 3.95,1161 3.947,1162 4.212,1163 3.945,1164 6.473,1165 3.911,1166 3.834,1167 3.838,1168 4.055,1169 3.791,1170 6.465,1171 3.782,1172 3.014,1173 3.008,1174 3.629,1175 3.054,1176 4.972,1177 2.953,1178 2.974,1179 2.968,1180 3.588,1181 2.855,1182 4.938,1183 2.84,1184 2.95,1185 2.954,1186 3.588,1187 2.855,1188 4.611,1189 2.838,1190 2.751,1191 2.787,1192 3.018,1193 2.634,1194 4.611,1195 2.626,1196 2.272,1197 2.284,1198 2.639,1199 1.885,1200 4.054,1201 1.858,1202 2.153,1203 2.184,1204 2.432,1205 1.731,1206 3.813,1207 1.745,1208 0.222,1209 0.23,1210 0.322,1211 0.199,1212 0.154,1213 4.436,1214 0.206,1215 4.598,1216 0.148,1217 6.448,1218 0.495,1219 3.978,1220 0.137,1221 3.076,1222 4.125,1223 2.95,1224 9.892,1225 2.733,1226 1.895,1227 1.897,1228 1.881,1229 1.934,1230 1.094,1231 1.951,1232 1.799,1233 1.793,1234 1.826,1235 1.863,1236 0.984,1237 1.869,1238 0.957,1239 0.959,1240 1.028,1241 1.104,1242 0.227,1243 1.085,1244 0.847,1245 0.846,1246 0.977,1247 1.095,1248 0.075,1249 1.059,1250 0.847,1251 0.844,1252 0.94,1253 0.994,1255 1.04,1256 0.716,1257 0.682,1258 0.918,1259 0.891,1261 0.928,1262 0.025,1264 0.377,1265 0.438,1267 0.473,1270 0.324,1271 0.343,1273 0.371,1274 3.714,1276 5.056,1278 6.586,1280 8.208,1282 9.874,1285 23.385,1289 19.708,1293 1.06,1300 20.561,1301 47.567,1302 76.096,1303 84.096,1304 92.096,1305 92.096,1306 92.096,1307 45.507,1308 6.176,1309 40.46,1310 65.76,1311 12,1312 12.079,1313 3.7,1314 2.807,1315 33.476,1316 52,1317 38,1318 0.331,1319 145.982,1320 250.73,1321 347.957,1322 3042,1323 16,1324 14.154,1325 0.745,1326 0.682,1327 16.508,1328 12.964,1329 8.88,1330 0.444,1331 0.362,1332 5.082,1333 7.108,1334 4.765,1335 3.872,1336 10.443,1337 7.249,1338 8.582,1339 0.296,1340 0.219,1341 10.782,1342 6.342,1343 6.846,1344 0.19,1345 0.119,1346 8.92,1347 4.281,1348 5.294,1349 0.12,1350 0.082,1351 7.934,1352 3.609,1353 3.902,1354 0.075,1355 0.04,1356 5.59,1357 2.069,1358 0.497,1359 71.218,1360 0.286,1361 18.565,1362 0.973,1363 98,1364 357.973,1365 189.908,1366 488.077,1367 608.22,1368 446,1369 114,1370 324.254,1371 187.379,1372 384.262,1373 562.98,1374 360,1375 5.735} {0 CHEMBL290205,1 1.423,2 23.25,3 7.33,4 53.727,5 197.148,6 7.298,7 0.429,8 4.653,9 4.748,10 4.182,11 4.185,12 5.783,13 4.166,14 5.187,15 5.327,16 4.502,17 4.555,18 6.35,19 4.509,20 5.477,21 5.671,22 4.563,23 4.704,24 6.486,25 4.628,26 5.534,27 5.736,28 4.548,29 4.731,30 6.537,31 4.643,32 5.558,33 5.766,34 4.578,35 4.792,36 6.515,37 4.692,38 5.643,39 5.869,40 4.578,41 4.812,42 6.614,43 4.699,44 5.591,45 5.824,46 4.519,47 4.761,48 6.515,49 4.649,50 5.519,51 5.73,52 4.515,53 4.703,54 6.514,55 4.61,56 0.098,57 1.226,58 20.212,59 9.871,60 24.783,61 11.931,62 0.61,63 1.983,64 37.666,65 16.079,66 92.008,67 20.094,68 0.773,69 2.529,70 54.155,71 21.061,72 109.577,73 27.128,74 0.91,75 2.651,76 58.192,77 22.138,78 121.147,79 28.602,80 0.617,81 2.796,82 58.314,83 23.422,84 102.158,85 30.938,86 1.078,87 2.991,88 65.616,89 24.865,90 133.68,91 33.481,92 0.758,93 2.839,94 62.344,95 23.741,96 110.111,97 31.974,98 0.762,99 2.623,100 57.329,101 21.931,102 100.709,103 28.738,104 50,105 73,106 0.207,107 0.526,108 0.72,109 0.851,110 0.892,111 0.898,112 3.972,113 0.941,114 -5.2,115 -5.1,116 -4.77,118 43.3,120 7,121 1,124 3,126 1,127 1,133 3,134 1,140 14,141 4,142 3,143 2,154 2,163 2,167 2,168 26,169 2,171 1,172 13,175 2,177 4,180 28,181 2,185 1,186 15,191 4,194 25,195 2,198 15,201 1,203 4,206 23,207 2,210 14,215 3,218 25,219 2,221 2,222 15,225 1,227 4,229 26,230 2,234 10,239 5,242 27,243 2,246 1,247 8,248 2,252 5,255 26,256 4,258 4,259 9,260 1,262 2,264 5,267 18,268 4,270 7526,271 35.501,272 35.501,273 35.501,274 35.501,275 35.501,276 31.715,277 32.236,278 21.898,279 35.978,280 27.717,281 27.717,282 27.717,283 27.717,284 27.717,285 22.196,286 31.199,287 10.498,288 28.509,289 5.177,290 2.984,291 1.656,292 0.754,293 0.474,294 0.433,295 4.675,300 1,301 2566,302 5.292,306 1086.21,313 3.423,314 59.863,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,324 0.62,325 113.5,326 1209,327 4.38,328 3.607,329 6.681,330 4.109,331 3.139,332 3.968,333 2.341,334 10.786,335 3.041,336 4.334,337 3.597,338 6.5,339 4.013,340 3.016,341 3.856,342 2.341,343 10.18,344 3.008,345 4.125,346 3.596,347 6.129,348 3.8,349 2.811,350 3.689,351 1.902,352 8.997,353 2.78,354 3.909,355 3.203,356 5.659,357 3.479,358 2.527,359 3.471,360 0.869,361 7.399,362 2.412,363 3.737,364 3.052,365 5.415,366 3.447,367 2.484,368 2.972,369 0.86,370 7.107,371 2.394,372 3.571,373 2.893,374 5.322,375 3.304,376 2.344,377 2.921,378 0.86,379 6.888,380 2.239,381 3.552,382 2.798,383 5.134,384 3.24,385 2.235,386 2.737,387 0.22,388 6.125,389 2.222,390 3.539,391 2.601,392 4.66,393 3.236,394 2.231,395 2.71,397 5.184,398 2.212,399 3.529,400 2.213,401 4.659,402 3.093,403 2.127,404 2.694,406 5.184,407 2.044,408 3.124,409 2.165,410 4.564,411 2.703,412 1.725,413 2.232,415 4.544,416 1.684,417 3.06,418 2.028,419 4.359,420 2.691,421 1.704,422 2.204,424 4.118,425 1.675,426 2.873,427 1.962,428 4.157,429 2.519,430 1.567,431 2.024,433 3.869,434 1.485,435 2.819,436 1.875,437 3.813,438 2.466,439 1.494,440 1.899,442 3.174,443 1.447,444 2.756,445 1.699,446 3.641,447 2.431,448 1.453,449 1.796,451 3.133,452 1.415,453 2.682,454 1.535,455 3.631,456 2.391,457 1.414,458 1.688,460 3.032,461 1.374,462 24.4,463 0.469,464 0.976,465 0.019,466 62.75,467 1.207,468 31,469 0.596,470 31.75,471 0.611,472 53.219,473 1.023,474 57.2,475 0.59,476 58.44,477 1.124,478 12.661,479 0.243,480 12.708,481 0.244,482 0.068,484 0.266,487 0.847,488 1.153,489 0.825,490 1.102,491 0.788,492 0.983,493 0.87,494 1.144,495 0.984,496 1.136,497 0.532,498 1.09,499 1.038,500 1.017,501 1.001,502 1.016,503 0.899,504 1.005,505 1.098,506 0.991,507 1.059,508 0.998,509 0.853,510 1.018,511 0.844,512 1.09,513 0.996,514 1.089,515 0.703,516 1.076,517 0.8,518 0.997,519 0.988,520 1.003,521 0.709,522 1.027,523 0.856,524 0.965,525 0.951,526 0.973,527 0.671,528 0.978,529 1.001,530 1.018,531 1.016,532 1.034,533 0.791,534 1.03,535 8,536 0.38,537 4.889,538 2.375,539 1.871,540 1.41,541 1.088,542 0.622,543 0.541,544 0.47,545 65730,546 185026,547 2.071,548 46.4,549 10,550 24,551 1,552 2,553 3,554 4,556 1,558 1.856,559 1.975,560 4.416,561 0.599,567 138.051,568 1.423,569 3.616,570 4.944,571 5.846,572 6.126,573 6.167,574 3.866,575 5.263,576 5.67,577 4.673,578 6196.41,579 10.065,580 149622,585 640.192,586 1.226,587 5.648,588 0.143,589 0.006,590 0.067,591 0.031,592 0.025,593 0.018,594 0.015,595 0.009,596 0.008,597 0.007,598 0.329,599 0.17,600 0.5,601 1.519,602 329.055,603 -0.058,604 -0.02,605 0.027,606 0.005,607 -0.077,608 0.028,609 0.072,610 -0.07,611 -0.066,612 -0.085,613 0.142,614 -0.099,615 -0.063,616 -0.012,617 -0.031,618 -0.006,619 -0.073,620 -0.011,621 -0.094,622 0.003,623 -0.078,624 0.004,625 -0.068,626 -0.028,627 -0.054,628 -0.081,629 -0.051,630 -0.07,631 -0.047,632 -0.062,633 0.039,634 -0.003,635 -0.017,636 -0.008,637 -0.007,638 -0.02,639 -0.05,640 0.024,641 0.018,642 0.023,643 -0.031,644 0.034,645 -0.07,646 -0.024,647 -0.041,648 -0.033,649 -0.066,650 -0.032,651 2.499,652 4.604,653 0.577,654 100.661,655 1.005,656 1.119,657 3.974,658 15.792,659 0.658,660 4.043,661 4.304,662 4.522,663 4.745,664 4.984,665 5.043,666 5.198,667 5.313,668 5.407,669 5.489,670 13.298,671 0.629,672 707.88,673 4.043,674 5.557,675 6.375,676 7.22,677 8.061,678 8.916,679 9.769,680 10.631,681 11.492,682 12.359,683 1,693 1,699 16,700 1,704 7,706 24,721 1,722 2,724 97,726 28,727 3,728 56,730 101,731 42,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 8,753 29,754 13,755 1,756 4,761 2,763 3,765 3,772 45,773 10,774 3,775 10,779 1,784 1,785 9,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 52,845 3,846 10,848 4,850 3,862 9.3,864 3,865 2,866 2,867 2,869 26.333,870 16.633,871 11.75,872 5.86,874 4.021,875 1.446,876 0.926,877 15.163,878 13.041,879 4.29,880 4.787,881 5.252,882 5.739,883 6.245,884 6.343,885 6.683,886 6.956,887 7.22,888 7.495,889 1,890 76,891 19.301,893 8.112,894 7.859,895 36.64,897 29.633,899 2.359,900 122.667,904 494.386,905 239.304,906 16.786,908 222.339,911 239.304,912 716.726,913 16.786,915 31.519,916 161.456,917 242.487,918 66.509,919 11.771,920 459.073,922 494.386,923 256.089,924 222.339,927 482.615,928 212.111,929 22,930 0.36,931 49.614,932 160.902,933 45.214,935 494.386,936 239.125,937 239.304,940 494.746,941 59.753,942 179.191,944 239.125,945 494.386,946 239.125,947 239.304,949 0.562,950 0.31,951 0.165,952 0.092,953 28,954 13,955 0.188,956 19,958 1,959 6.158,960 519.866,962 30,963 288.423,968 38.604,969 20.424,970 12.247,972 239.125,973 29.96,974 4.264,978 5.068,980 128.05,981 972.815,982 72,987 21.677,989 5.946,991 -0.563,994 97.487,995 108.517,996 0.216,997 0.548,998 0.749,999 0.886,1000 0.928,1001 0.934,1002 5.501,1003 2.231,1004 6.315,1005 6.125,1006 4.99,1007 5.476,1008 3.368,1009 7.054,1010 4.937,1011 6.657,1012 2.127,1013 7.824,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.3,1020 7.92,1021 1.725,1022 9.437,1023 5.184,1024 6.503,1025 7.51,1026 4.567,1027 10.945,1028 6.407,1029 9.214,1030 1.704,1031 11.118,1032 4.544,1033 6.746,1034 7.869,1035 4.929,1036 12.652,1037 6.636,1038 10.542,1039 1.567,1040 12.846,1041 4.118,1042 8.297,1043 9.829,1044 6.048,1045 15.252,1046 8.165,1047 11.894,1048 1.494,1049 14.607,1050 3.869,1051 8.969,1052 10.601,1053 6.678,1054 17.331,1055 8.821,1056 13.264,1057 1.453,1058 16.393,1059 3.174,1060 10.264,1061 12.302,1062 7.64,1063 19.766,1064 10.098,1065 3.139,1066 1.414,1067 18.198,1068 3.133,1069 11.158,1070 13.306,1071 8.387,1072 22,1073 10.975,1074 3.016,1075 10.786,1076 20.017,1077 3.032,1078 12.341,1079 14.865,1080 9.283,1081 24.378,1082 12.141,1083 2.811,1084 10.18,1085 21.847,1086 3.968,1087 13.347,1088 16.007,1089 10.083,1090 26.679,1091 13.128,1092 2.527,1093 8.997,1094 23.687,1095 3.856,1096 14.484,1097 17.483,1098 10.951,1099 29.04,1100 14.248,1101 2.484,1102 7.399,1103 25.534,1104 3.689,1105 15.547,1106 18.708,1107 11.776,1108 31.37,1109 15.291,1110 2.344,1111 7.107,1112 27.387,1113 3.471,1114 16.668,1115 20.135,1116 12.633,1117 33.727,1118 16.393,1119 2.235,1120 6.888,1121 29.245,1122 2.972,1123 17.759,1124 21.412,1125 13.47,1126 36.072,1127 17.464,1128 62855,1129 105603,1130 37.849,1131 63.847,1132 82.08,1133 83.09,1134 82.627,1135 81.108,1136 81.082,1137 102.869,1138 18.785,1139 217.044,1140 78.783,1141 5.38,1142 5.607,1143 6.483,1144 5.207,1145 5.139,1146 6.968,1147 3.925,1148 17.864,1149 5.041,1150 25.232,1151 1.466,1152 1.484,1153 1.475,1154 1.448,1155 1.448,1156 1.837,1157 0.335,1158 3.876,1159 1.407,1160 4.041,1161 4.064,1162 3.98,1163 3.962,1164 7.477,1165 3.962,1166 3.971,1167 3.993,1168 3.917,1169 3.895,1170 7.472,1171 3.897,1172 3.888,1173 3.909,1174 3.83,1175 3.822,1176 6.469,1177 3.82,1178 3.802,1179 3.835,1180 3.738,1181 3.707,1182 6.352,1183 3.709,1184 3.764,1185 3.804,1186 3.657,1187 3.661,1188 6.35,1189 3.652,1190 3.724,1191 3.774,1192 3.599,1193 3.586,1194 4.957,1195 3.577,1196 3.631,1197 3.661,1198 3.531,1199 3.458,1200 4.896,1201 3.464,1202 3.503,1203 3.541,1204 3.395,1205 3.322,1206 4.821,1207 3.33,1208 0.078,1209 0.064,1210 0.119,1211 0.073,1212 0.056,1213 4.38,1214 0.071,1215 3.607,1216 0.042,1217 6.681,1218 0.193,1219 4.109,1220 0.054,1221 3.139,1222 3.968,1223 2.341,1224 10.786,1225 3.041,1226 1.973,1227 1.951,1228 2.075,1229 2.068,1230 1.366,1231 2.065,1232 1.946,1233 1.927,1234 2.065,1235 2.052,1236 1.326,1237 2.059,1238 1.881,1239 1.861,1240 1.991,1241 1.974,1242 1.152,1243 1.98,1244 1.783,1245 1.752,1246 1.95,1247 1.907,1248 1.147,1249 1.917,1250 1.763,1251 1.722,1252 1.948,1253 1.897,1254 1.111,1255 1.914,1256 1.717,1257 1.665,1258 1.897,1259 1.886,1260 1.013,1261 1.897,1262 1.584,1263 1.546,1264 1.799,1265 1.784,1266 0.982,1267 1.784,1268 1.451,1269 1.41,1270 1.702,1271 1.678,1272 0.917,1273 1.685,1274 4.727,1276 6.004,1278 7.468,1280 9.023,1282 10.631,1289 28.414,1290 4.6,1292 24.418,1294 -1.117,1300 61.044,1301 138.051,1302 350.752,1303 479.53,1304 567.072,1305 594.192,1306 598.192,1307 139.478,1308 9.02,1309 144.64,1310 144.64,1311 30,1312 12.906,1313 4.858,1314 4.087,1315 96.986,1316 427,1317 396,1318 0.107,1319 372.604,1320 677.63,1321 900.914,1322 146758,1324 36.547,1325 0.703,1326 0.558,1327 36.547,1328 29.011,1329 25.368,1330 0.453,1331 0.314,1332 17.346,1333 24.426,1334 17.054,1335 14.075,1336 25.368,1337 17.572,1338 21.894,1339 0.3,1340 0.171,1341 21.894,1342 12.47,1343 17.277,1344 0.19,1345 0.095,1346 17.277,1347 8.638,1348 13.977,1349 0.123,1350 0.052,1351 13.977,1352 5.962,1353 11.511,1354 0.079,1355 0.029,1356 11.511,1357 4.141,1358 0.18,1359 159.137,1360 0.163,1361 45.89,1362 0.267,1363 258,1364 812.507,1365 285.405,1366 762.91,1367 1014.32,1368 714,1369 293,1370 708.385,1371 317.533,1372 709.458,1373 1031.35,1374 669,1375 7.301} {0 CHEMBL290281,1 1.534,2 19.292,3 4.856,4 23.581,5 174.66,6 7.66,7 0.442,8 4.558,9 4.647,10 4.129,11 4.039,12 5.727,13 4.048,14 5.091,15 5.223,16 4.462,17 4.406,18 6.31,19 4.395,20 5.35,21 5.525,22 4.511,23 4.539,24 6.432,25 4.496,26 5.422,27 5.607,28 4.499,29 4.549,30 6.499,31 4.501,32 5.439,33 5.628,34 4.53,35 4.587,36 6.504,37 4.527,38 5.479,39 5.684,40 4.52,41 4.631,42 6.504,43 4.553,44 5.491,45 5.699,46 4.516,47 4.636,48 6.497,49 4.566,50 5.488,51 5.687,52 4.535,53 4.615,54 6.592,55 4.552,56 0.206,57 1.132,58 17.101,59 8.387,60 28.555,61 9.736,62 0.862,63 1.797,64 33.112,65 13.381,66 94.755,67 16.024,68 1.114,69 2.172,70 46.601,71 17.53,72 103.984,73 21.839,74 1.195,75 2.265,76 51.611,77 18.546,78 127.518,79 23.081,80 1.409,81 2.335,82 52.441,83 19.16,84 128.119,85 24.414,86 1.435,87 2.45,88 55.289,89 20.296,90 136.553,91 26.486,92 1.143,93 2.481,94 56.003,95 20.339,96 128.21,97 26.298,98 1.621,99 2.44,100 56.523,101 19.664,102 159.518,103 25.224,104 35,105 69,106 0.229,107 0.567,108 0.77,109 0.897,110 0.923,111 0.93,112 3.894,113 0.9,114 -3.68,115 -3.64,116 -3.47,118 41.9,120 3,121 1,124 5,126 1,127 1,133 2,140 11,141 3,142 4,143 1,149 1,154 2,156 1,163 2,167 2,168 16,169 2,171 2,172 11,175 2,177 4,180 15,181 3,185 3,186 16,191 5,194 10,195 2,198 12,199 1,201 1,203 4,206 8,207 1,209 4,210 11,211 1,213 1,215 2,218 12,219 1,221 3,222 11,225 2,227 3,229 14,230 1,234 10,235 1,239 4,242 19,246 4,247 6,248 3,250 1,252 2,255 20,256 1,258 4,259 7,262 4,264 3,267 18,268 3,270 5968,271 32.672,272 32.672,273 32.672,274 32.672,275 32.672,276 29.238,277 35.919,278 19.911,279 33.397,280 25.725,281 25.725,282 25.725,283 25.725,284 25.725,285 20.633,286 39.014,287 9.504,288 26.906,289 4.893,290 2.625,291 1.263,292 0.413,293 0.233,294 0.186,295 4.597,301 1977,302 4.848,305 154.086,306 710.859,313 2.863,314 66.239,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 107,326 926,327 4.336,328 3.609,329 6.681,330 4.111,331 3.14,332 3.968,333 2.341,334 10.788,335 3.043,336 4.32,337 3.597,338 6.228,339 3.919,340 2.955,341 3.856,342 1.902,343 9.344,344 2.853,345 4.153,346 3.585,347 6.153,348 3.821,349 2.835,350 3.724,351 1.437,352 9.114,353 2.797,354 3.922,355 3.214,356 5.803,357 3.5,358 2.556,359 3.479,360 0.869,361 7.778,362 2.413,363 3.843,364 3.19,365 5.663,366 3.447,367 2.503,368 3.197,369 0.86,370 7.429,371 2.395,372 3.71,373 2.85,374 5.352,375 3.438,376 2.482,377 2.894,378 0.86,379 6.996,380 2.311,381 3.56,382 2.663,383 5.302,384 3.257,385 2.295,386 2.726,387 0.86,388 6.788,389 2.222,390 3.487,391 2.592,392 4.66,393 3.229,394 2.23,395 2.657,396 0.22,397 5.184,398 2.177,399 3.121,400 2.337,401 4.56,402 2.703,403 1.784,404 2.203,406 4.551,407 1.674,408 2.986,409 2.164,410 4.47,411 2.667,412 1.713,413 2.111,415 4.506,416 1.584,417 2.875,418 2.029,419 4.314,420 2.501,421 1.55,422 2.025,424 4.019,425 1.47,426 2.831,427 1.973,428 3.815,429 2.452,430 1.478,431 1.932,433 3.176,434 1.431,435 2.808,436 1.845,437 3.81,438 2.391,439 1.415,440 1.841,442 3.116,443 1.374,444 2.775,445 1.615,446 3.632,447 2.37,448 1.414,449 1.833,451 3.032,452 1.338,453 2.689,454 1.535,455 3.596,456 2.226,457 1.257,458 1.729,460 2.88,461 1.202,462 22.133,463 0.461,464 0.976,465 0.02,466 59,467 1.229,468 28,469 0.583,470 31,471 0.646,472 47.112,473 0.981,474 53.467,475 0.622,476 55.568,477 1.158,478 12.207,479 0.254,480 11.161,481 0.233,482 0.075,484 0.289,487 0.883,488 1.29,489 0.778,490 1.164,491 0.799,492 0.984,493 0.981,494 1.089,495 0.97,496 1.083,497 0.561,498 1.028,499 1.03,500 1.035,501 1.008,502 1.077,503 0.833,504 1.045,505 1.186,506 1.04,507 1.062,508 1.066,509 0.943,510 1.043,511 0.951,512 1.008,513 1.001,514 1.046,515 0.705,516 1.042,517 0.837,518 0.971,519 0.965,520 1.002,521 0.657,522 1.018,523 1.011,524 0.984,525 0.984,526 0.991,527 0.824,528 0.986,529 1.03,530 0.911,531 1.023,532 0.921,533 0.988,534 0.964,535 8,536 0.343,537 4.667,538 2.347,539 2.036,540 1.511,541 0.998,542 0.611,543 0.525,544 0.482,545 48541,546 147464,547 2.077,548 44.2,549 4,550 24,551 2,552 2,553 3,554 2,556 1,558 1.842,559 1.973,560 4.181,561 0.685,567 131.901,568 1.534,569 3.801,570 5.164,571 6.013,572 6.194,573 6.24,574 3.613,575 5.095,576 5.554,577 4.414,578 4978.61,579 9.865,580 106863,585 552.659,586 1.274,587 5.529,588 0.154,589 0.005,590 0.068,591 0.034,592 0.03,593 0.022,594 0.014,595 0.009,596 0.007,597 0.007,598 0.349,599 0.33,600 0.5,601 1.229,602 292.349,603 -0.082,604 -0.123,605 0.033,606 -0.051,607 -0.093,608 0.006,609 0.005,610 0.011,611 -0.065,612 -0.045,613 0.124,614 -0.065,615 -0.036,616 -0.03,617 -0.048,618 -0.061,619 -0.041,620 -0.056,621 -0.124,622 -0.068,623 -0.073,624 -0.066,625 -0.078,626 -0.058,627 0.038,628 -0.028,629 -0.024,630 -0.039,631 0.016,632 -0.046,633 0.061,634 0.003,635 0.008,636 0.008,637 0.032,638 -0.005,639 -0.106,640 -0.01,641 -0.008,642 0.014,643 -0.069,644 0.026,645 -0.009,646 0.064,647 -0.027,648 0.068,649 -0.069,650 0.024,651 2.742,652 4.62,653 0.604,654 80.292,655 1.016,656 1.123,657 2.445,658 5.98,659 0.654,660 3.97,661 4.248,662 4.477,663 4.7,664 4.905,665 4.984,666 5.118,667 5.22,668 5.347,669 5.455,670 11.202,671 0.636,672 658.76,673 3.97,674 5.493,675 6.319,676 7.171,677 8.017,678 8.876,679 9.732,680 10.597,681 11.459,682 12.328,683 2.3,691 1,693 1,699 14,700 1,704 7,705 1,706 23,714 1,721 1,722 3,724 86,726 26,727 3,728 52,730 90,731 36,733 21,734 7,735 11,736 1,739 5,740 5,748 1,749 1,751 4,753 25,754 11,755 1,756 3,761 2,763 2,765 2,772 38,773 11,774 3,775 12,778 1,779 2,784 1,785 10,801 1,802 4,818 1,822 2,830 2,831 2,832 5,840 48,845 3,846 8,848 5,850 3,862 11.6,864 3,865 2,866 2,867 3,869 24.333,870 14.75,871 10.75,872 4.954,874 3.977,875 1.449,876 0.921,877 13.045,878 12.824,879 4.212,880 4.725,881 5.196,882 5.671,883 6.075,884 6.172,885 6.418,886 6.607,887 6.927,888 7.287,889 0.923,890 70,891 17.844,893 7.603,894 7.948,895 33.353,897 26.875,899 2.448,900 117.5,904 411.989,905 205.45,906 18.685,908 233.339,911 205.45,912 645.328,913 18.685,915 28.079,916 132.598,917 251.106,918 69.233,919 23.542,920 364.904,922 411.989,923 224.134,924 233.339,927 400.217,928 223.111,929 22,930 0.36,931 47.644,932 140.393,933 35.738,935 411.989,936 252.024,937 205.45,940 412.348,941 55.186,942 151.804,944 250.125,945 411.989,946 252.024,947 205.45,949 0.568,950 0.319,951 0.169,952 0.09,953 28,954 13,955 0.189,956 17,958 1,959 5.737,960 481.341,962 29,963 268.078,968 35.134,969 17.822,970 10.407,972 250.125,973 23.989,974 4.008,978 2.85,979 1.867,980 128.05,981 869.462,982 66.5,987 22.384,989 3.769,991 -1.923,994 87.381,995 96.564,996 0.239,997 0.591,998 0.804,999 0.936,1000 0.964,1001 0.971,1002 5.433,1003 2.23,1004 6.271,1005 6.788,1006 4.934,1007 5.414,1008 3.261,1009 7.024,1010 4.85,1011 6.595,1012 1.784,1013 7.791,1014 5.184,1015 4.369,1016 5.017,1017 2.521,1018 7.828,1019 4.261,1020 7.866,1021 1.713,1022 9.414,1023 4.551,1024 6.466,1025 7.467,1026 4.237,1027 10.916,1028 6.313,1029 9.168,1030 1.55,1031 11.101,1032 4.506,1033 6.758,1034 7.914,1035 4.358,1036 12.596,1037 6.58,1038 10.504,1039 1.478,1040 12.831,1041 4.019,1042 8.275,1043 9.805,1044 5.564,1045 15.183,1046 8.063,1047 11.861,1048 1.415,1049 14.59,1050 3.176,1051 8.976,1052 10.657,1053 6.075,1054 17.227,1055 8.736,1056 13.237,1057 1.414,1058 16.371,1059 3.116,1060 10.249,1061 12.298,1062 7.07,1063 19.646,1064 9.98,1065 3.14,1066 1.257,1067 18.168,1068 3.032,1069 11.153,1070 13.362,1071 7.759,1072 21.853,1073 10.856,1074 2.955,1075 10.788,1076 19.977,1077 2.88,1078 12.321,1079 14.875,1080 8.663,1081 24.217,1082 11.998,1083 2.835,1084 9.344,1085 21.797,1086 3.968,1087 13.328,1088 16.059,1089 9.435,1090 26.5,1091 12.975,1092 2.556,1093 9.114,1094 23.624,1095 3.856,1096 14.455,1097 17.503,1098 10.303,1099 28.851,1100 14.076,1101 2.503,1102 7.778,1103 25.458,1104 3.724,1105 15.514,1106 18.755,1107 11.114,1108 31.172,1109 15.105,1110 2.482,1111 7.429,1112 27.298,1113 3.479,1114 16.627,1115 20.16,1116 11.968,1117 33.523,1118 16.191,1119 2.295,1120 6.996,1121 29.143,1122 3.197,1123 17.713,1124 21.453,1125 12.798,1126 35.864,1127 17.247,1128 46169,1129 80667,1130 35.076,1131 56.262,1132 76.653,1133 77.775,1134 77.033,1135 75.715,1136 75.749,1137 95.694,1138 18.697,1139 206.215,1140 72.41,1141 5.336,1142 5.609,1143 6.452,1144 5.228,1145 5.14,1146 6.968,1147 3.925,1148 17.867,1149 5.043,1150 23.252,1151 1.474,1152 1.496,1153 1.481,1154 1.456,1155 1.457,1156 1.84,1157 0.36,1158 3.966,1159 1.392,1160 4.028,1161 4.052,1162 3.967,1163 3.923,1164 7.477,1165 3.928,1166 3.949,1167 3.988,1168 3.898,1169 3.845,1170 7.472,1171 3.854,1172 3.896,1173 3.927,1174 3.84,1175 3.82,1176 6.469,1177 3.819,1178 3.884,1179 3.905,1180 3.828,1181 3.697,1182 6.352,1183 3.726,1184 3.764,1185 3.804,1186 3.657,1187 3.66,1188 6.35,1189 3.651,1190 3.629,1191 3.66,1192 3.529,1193 3.457,1194 4.977,1195 3.463,1196 3.489,1197 3.528,1198 3.378,1199 3.265,1200 4.919,1201 3.28,1202 3.396,1203 3.431,1204 3.303,1205 3.166,1206 4.862,1207 3.186,1208 0.083,1209 0.069,1210 0.128,1211 0.079,1212 0.06,1213 4.336,1214 0.076,1215 3.609,1216 0.045,1217 6.681,1218 0.207,1219 4.111,1220 0.059,1221 3.14,1222 3.968,1223 2.341,1224 10.788,1225 3.043,1226 1.946,1227 1.927,1228 2.065,1229 2.068,1230 1.366,1231 2.064,1232 1.891,1233 1.88,1234 1.993,1235 2.012,1236 1.148,1237 1.999,1238 1.878,1239 1.859,1240 1.971,1241 1.969,1242 1.12,1243 1.974,1244 1.763,1245 1.722,1246 1.948,1247 1.898,1248 1.109,1249 1.915,1250 1.629,1251 1.562,1252 1.824,1253 1.864,1254 1.048,1255 1.854,1256 1.583,1257 1.545,1258 1.799,1259 1.783,1260 1.013,1261 1.784,1262 1.431,1263 1.384,1264 1.699,1265 1.678,1266 0.946,1267 1.683,1268 1.31,1269 1.253,1270 1.509,1271 1.533,1272 0.667,1273 1.521,1274 4.654,1276 5.943,1277 2.398,1278 7.414,1279 4.443,1280 8.976,1281 6.26,1282 10.59,1289 28.966,1290 2.62,1292 30.261,1294 -1.293,1300 54.673,1301 131.901,1302 326.875,1303 444.076,1304 517.149,1305 532.659,1306 536.659,1307 126.934,1308 8.847,1309 158.8,1310 158.8,1311 29,1312 12.873,1313 4.755,1314 3.954,1315 84.937,1316 327,1317 324,1318 0.122,1319 331.695,1320 598.9,1321 801.096,1322 118513,1324 33.719,1325 0.702,1326 0.546,1327 33.719,1328 26.22,1329 23.368,1330 0.449,1331 0.3,1332 15.316,1333 22.205,1334 15.106,1335 12.406,1336 23.368,1337 15.603,1338 20.45,1339 0.296,1340 0.16,1341 20.45,1342 11.065,1343 16.385,1344 0.188,1345 0.088,1346 16.385,1347 7.63,1348 13.262,1349 0.122,1350 0.048,1351 13.262,1352 5.215,1353 10.461,1354 0.078,1355 0.026,1356 10.461,1357 3.499,1358 0.2,1359 148.658,1360 0.169,1361 42.482,1362 0.315,1363 242,1364 837.888,1365 275.085,1366 773.668,1367 1025.11,1368 724,1369 277,1370 716.657,1371 308.875,1372 711.831,1373 1040.09,1374 669,1375 7.523} {0 CHEMBL290483,1 1.534,2 18.375,3 4.856,4 23.581,5 174.66,6 7.66,7 0.442,8 4.558,9 4.647,10 4.129,11 4.039,12 5.727,13 4.048,14 5.091,15 5.223,16 4.462,17 4.406,18 6.308,19 4.395,20 5.35,21 5.525,22 4.524,23 4.539,24 6.43,25 4.5,26 5.428,27 5.607,28 4.534,29 4.556,30 6.53,31 4.514,32 5.452,33 5.639,34 4.551,35 4.605,36 6.501,37 4.551,38 5.52,39 5.72,40 4.553,41 4.657,42 6.548,43 4.584,44 5.528,45 5.737,46 4.56,47 4.673,48 6.535,49 4.6,50 5.517,51 5.716,52 4.593,53 4.664,54 6.619,55 4.604,56 0.206,57 1.132,58 17.101,59 8.387,60 28.558,61 9.736,62 0.862,63 1.797,64 33.112,65 13.381,66 94.724,67 16.024,68 1.1,69 2.172,70 46.574,71 17.525,72 103.491,73 21.841,74 1.373,75 2.27,76 51.842,77 18.527,78 131.505,79 22.92,80 1.254,81 2.373,82 52.761,83 19.431,84 125.676,85 24.543,86 1.575,87 2.523,88 57.872,89 20.832,90 145.343,91 26.821,92 1.352,93 2.57,94 58.486,95 21.127,96 135.563,97 27.477,98 1.469,99 2.542,100 57.387,101 20.543,102 157.754,103 26.436,104 35,105 69,106 0.229,107 0.567,108 0.764,109 0.884,110 0.916,111 0.93,112 3.894,113 0.901,114 -3.68,115 -3.64,116 -3.47,118 41.9,120 3,121 1,124 5,126 1,127 1,133 2,140 11,141 3,142 4,143 1,149 1,154 2,156 1,163 2,167 2,168 16,169 2,171 2,172 11,175 2,177 4,180 15,181 3,185 3,186 14,191 5,194 10,195 2,197 2,198 14,199 1,201 1,203 4,206 8,207 1,209 2,210 11,211 1,213 1,215 2,218 10,219 1,221 3,222 13,225 2,227 3,229 14,230 1,233 2,234 10,235 1,239 3,242 18,246 2,247 7,248 3,250 2,252 3,255 21,256 1,258 4,259 10,262 3,264 3,267 19,268 3,270 6094,271 32.725,272 32.725,273 32.725,274 32.725,275 32.725,276 29.262,277 34.433,278 19.97,279 33.442,280 25.719,281 25.719,282 25.719,283 25.719,284 25.719,285 20.614,286 36.315,287 9.507,288 26.89,289 4.893,290 2.625,291 1.3,292 0.497,293 0.279,294 0.186,295 4.597,301 1881,302 4.848,305 148.095,306 680.011,313 2.776,314 67.216,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 107,326 882,327 4.36,328 3.636,329 6.695,330 4.129,331 3.158,332 3.968,333 2.341,334 10.844,335 3.06,336 4.32,337 3.597,338 6.469,339 3.922,340 2.956,341 3.882,342 1.902,343 10.058,344 2.876,345 4.251,346 3.585,347 6.228,348 3.916,349 2.94,350 3.834,351 1.437,352 9.344,353 2.853,354 3.922,355 3.281,356 5.803,357 3.5,358 2.556,359 3.479,360 0.869,361 7.778,362 2.413,363 3.843,364 3.189,365 5.684,366 3.445,367 2.502,368 3.197,369 0.86,370 7.478,371 2.396,372 3.678,373 2.805,374 5.352,375 3.438,376 2.475,377 2.81,378 0.86,379 6.996,380 2.311,381 3.556,382 2.664,383 5.196,384 3.239,385 2.234,386 2.717,387 0.86,388 6.206,389 2.22,390 3.252,391 2.532,392 4.659,393 3.048,394 2.086,395 2.367,396 0.22,397 5.184,398 2.001,399 3.093,400 2.334,401 4.548,402 2.694,403 1.786,404 2.187,406 4.545,407 1.655,408 3,409 2.16,410 4.47,411 2.665,412 1.697,413 2.141,415 4.449,416 1.594,417 2.927,418 2.019,419 4.089,420 2.508,421 1.564,422 2.08,424 3.587,425 1.466,426 2.869,427 1.95,428 3.815,429 2.468,430 1.487,431 2.018,433 3.19,434 1.454,435 2.807,436 1.823,437 3.806,438 2.391,439 1.418,440 1.866,442 3.096,443 1.374,444 2.804,445 1.562,446 3.639,447 2.369,448 1.414,449 1.838,451 3.032,452 1.337,453 2.689,454 1.536,455 3.612,456 2.226,457 1.254,458 1.729,460 2.868,461 1.202,462 22.133,463 0.461,464 0.959,465 0.02,466 59,467 1.229,468 28,469 0.583,470 31,471 0.646,472 47.776,473 0.995,474 53.467,475 0.622,476 56.202,477 1.171,478 12.223,479 0.255,480 11.162,481 0.233,482 0.075,484 0.289,487 0.883,488 1.29,489 0.778,490 1.164,491 0.799,492 0.984,493 0.981,494 1.089,495 0.97,496 1.083,497 0.565,498 1.028,499 1.022,500 1.036,501 0.986,502 1.074,503 0.83,504 1.031,505 1.169,506 1.031,507 1.061,508 1.059,509 0.933,510 1.041,511 1.027,512 1.038,513 1.013,514 1.071,515 0.724,516 1.048,517 0.953,518 0.955,519 1.016,520 0.986,521 0.686,522 1.017,523 0.945,524 0.947,525 0.96,526 0.959,527 0.783,528 0.965,529 0.975,530 0.953,531 0.976,532 0.963,533 0.922,534 0.971,535 7.5,536 0.355,537 4.889,538 2.597,539 1.956,540 1.483,541 1.078,542 0.674,543 0.546,544 0.487,545 46425,546 141232,547 2.077,548 44.2,549 4,550 24,551 2,552 2,553 3,554 2,556 1,558 1.845,559 1.973,560 4.112,561 0.685,567 131.901,568 1.534,569 3.801,570 5.126,571 5.929,572 6.147,573 6.24,574 3.587,575 5.168,576 5.552,577 4.338,578 4893.17,579 9.878,580 102643,585 552.659,586 1.274,587 5.529,588 0.144,589 0.005,590 0.071,591 0.037,592 0.028,593 0.021,594 0.015,595 0.009,596 0.007,597 0.007,598 0.343,599 0.33,600 0.5,601 1.229,602 290.314,603 -0.082,604 -0.123,605 0.033,606 -0.051,607 -0.092,608 0.006,609 0.005,610 0.011,611 -0.065,612 -0.045,613 0.12,614 -0.065,615 -0.029,616 -0.03,617 -0.025,618 -0.058,619 -0.038,620 -0.042,621 -0.064,622 -0.057,623 -0.069,624 -0.059,625 -0.059,626 -0.064,627 -0.038,628 -0.055,629 -0.039,630 -0.062,631 -0.009,632 -0.053,633 0.016,634 0.014,635 -0.032,636 0.017,637 0.009,638 -0.015,639 -0.037,640 0.023,641 0.02,642 0.046,643 -0.041,644 0.047,645 -0.01,646 0.029,647 0.006,648 0.037,649 -0.035,650 0.027,651 2.749,652 4.67,653 0.604,654 77.995,655 1.016,656 1.123,657 2.445,658 5.98,659 0.654,660 3.97,661 4.248,662 4.489,663 4.718,664 4.92,665 4.997,666 5.142,667 5.257,668 5.375,669 5.481,670 10.679,671 0.636,672 658.76,673 3.97,674 5.493,675 6.323,676 7.177,677 8.027,678 8.89,679 9.751,680 10.619,681 11.486,682 12.358,683 2.3,691 1,693 1,699 14,700 1,704 7,705 1,706 23,714 1,721 1,722 3,724 86,726 26,727 3,728 52,730 90,731 36,733 21,734 7,735 11,736 1,739 5,740 5,748 1,749 1,751 4,753 25,754 11,755 1,756 3,761 2,763 2,765 2,772 38,773 11,774 3,775 12,778 1,779 2,784 1,785 10,801 1,802 4,818 1,822 2,830 2,831 2,832 5,840 48,845 3,846 8,848 5,850 3,862 11.6,864 3,865 2,866 2,867 3,869 24.333,870 14.75,871 10.778,872 4.961,874 4.181,875 1.473,876 0.921,877 13.045,878 13.028,879 4.212,880 4.725,881 5.205,882 5.679,883 6.077,884 6.163,885 6.413,886 6.614,887 6.934,888 7.287,889 1,890 71,891 17.857,893 7.619,894 7.948,895 33.353,897 26.879,899 2.448,900 117.5,904 411.989,905 205.45,906 18.685,908 233.339,911 205.45,912 645.328,913 18.685,915 28.079,916 132.598,917 251.106,918 69.233,919 23.542,920 364.904,922 411.989,923 224.134,924 233.339,927 400.217,928 223.111,929 22,930 0.36,931 47.644,932 140.393,933 35.738,935 411.989,936 252.024,937 205.45,940 412.348,941 55.186,942 151.804,944 250.125,945 411.989,946 252.024,947 205.45,949 0.567,950 0.322,951 0.172,952 0.091,953 28,954 13,955 0.189,956 17,958 1,959 5.664,960 488.404,962 29,963 264.078,968 35.134,969 17.822,970 10.16,972 250.125,973 23.964,974 4.012,978 2.679,979 1.865,980 128.05,981 869.462,982 66.5,987 22.454,989 3.759,991 -1.934,994 87.381,995 96.564,996 0.239,997 0.591,998 0.798,999 0.923,1000 0.957,1001 0.971,1002 5.433,1003 2.086,1004 6.275,1005 6.206,1006 4.934,1007 5.414,1008 3.261,1009 7.038,1010 4.85,1011 6.595,1012 1.786,1013 7.801,1014 5.184,1015 4.369,1016 5.017,1017 2.521,1018 7.877,1019 4.261,1020 7.867,1021 1.697,1022 9.433,1023 4.545,1024 6.472,1025 7.472,1026 4.237,1027 10.978,1028 6.319,1029 9.173,1030 1.564,1031 11.132,1032 4.449,1033 6.781,1034 7.938,1035 4.358,1036 12.705,1037 6.602,1038 10.513,1039 1.487,1040 12.875,1041 3.587,1042 8.299,1043 9.827,1044 5.564,1045 15.306,1046 8.085,1047 11.877,1048 1.418,1049 14.649,1050 3.19,1051 9.023,1052 10.705,1053 6.075,1054 17.387,1055 8.781,1056 13.259,1057 1.414,1058 16.444,1059 3.096,1060 10.298,1061 12.342,1062 7.07,1063 19.821,1064 10.027,1065 3.158,1066 1.254,1067 18.256,1068 3.032,1069 11.223,1070 13.432,1071 7.759,1072 22.053,1073 10.923,1074 2.956,1075 10.844,1076 20.08,1077 2.868,1078 12.397,1079 14.942,1080 8.663,1081 24.43,1082 12.07,1083 2.94,1084 10.058,1085 21.914,1086 3.968,1087 13.42,1088 16.147,1089 9.435,1090 26.728,1091 13.064,1092 2.556,1093 9.344,1094 23.755,1095 3.882,1096 14.554,1097 17.591,1098 10.303,1099 29.088,1100 14.171,1101 2.502,1102 7.778,1103 25.603,1104 3.834,1105 15.626,1106 18.859,1107 11.114,1108 31.417,1109 15.212,1110 2.475,1111 7.478,1112 27.455,1113 3.479,1114 16.746,1115 20.266,1116 11.968,1117 33.774,1118 16.305,1119 2.234,1120 6.996,1121 29.312,1122 3.197,1123 17.842,1124 21.572,1125 12.798,1126 36.119,1127 17.372,1128 44238,1129 77350,1130 35.076,1131 56.262,1132 76.672,1133 77.708,1134 77.245,1135 75.721,1136 75.741,1137 95.701,1138 18.697,1139 206.67,1140 72.403,1141 5.36,1142 5.636,1143 6.466,1144 5.247,1145 5.158,1146 6.968,1147 3.925,1148 17.936,1149 5.06,1150 23.115,1151 1.474,1152 1.494,1153 1.485,1154 1.456,1155 1.457,1156 1.84,1157 0.36,1158 3.974,1159 1.392,1160 4.029,1161 4.052,1162 3.969,1163 3.924,1164 7.477,1165 3.929,1166 3.949,1167 3.988,1168 3.898,1169 3.845,1170 7.472,1171 3.854,1172 3.896,1173 3.927,1174 3.84,1175 3.82,1176 6.469,1177 3.819,1178 3.884,1179 3.905,1180 3.829,1181 3.697,1182 6.352,1183 3.726,1184 3.764,1185 3.804,1186 3.656,1187 3.66,1188 6.35,1189 3.651,1190 3.626,1191 3.658,1192 3.524,1193 3.456,1194 4.978,1195 3.462,1196 3.485,1197 3.525,1198 3.373,1199 3.26,1200 4.922,1201 3.273,1202 3.394,1203 3.431,1204 3.288,1205 3.165,1206 4.862,1207 3.182,1208 0.084,1209 0.07,1210 0.129,1211 0.079,1212 0.061,1213 4.36,1214 0.076,1215 3.636,1216 0.045,1217 6.695,1218 0.209,1219 4.129,1220 0.059,1221 3.158,1222 3.968,1223 2.341,1224 10.844,1225 3.06,1226 1.946,1227 1.927,1228 2.064,1229 2.069,1230 1.366,1231 2.064,1232 1.891,1233 1.88,1234 1.993,1235 2.011,1236 1.148,1237 1.999,1238 1.878,1239 1.859,1240 1.972,1241 1.969,1242 1.121,1243 1.974,1244 1.763,1245 1.722,1246 1.948,1247 1.898,1248 1.109,1249 1.915,1250 1.629,1251 1.562,1252 1.824,1253 1.864,1254 1.048,1255 1.854,1256 1.583,1257 1.544,1258 1.799,1259 1.78,1260 1.013,1261 1.782,1262 1.429,1263 1.38,1264 1.7,1265 1.678,1266 0.943,1267 1.683,1268 1.31,1269 1.257,1270 1.512,1271 1.537,1272 0.669,1273 1.521,1274 4.654,1276 5.943,1277 2.398,1278 7.418,1279 4.443,1280 8.986,1281 6.26,1282 10.608,1289 29.072,1290 2.48,1292 30.57,1294 -1.42,1300 54.673,1301 131.901,1302 326.875,1303 440.831,1304 509.904,1305 528.659,1306 536.659,1307 128.74,1308 8.847,1309 158.8,1310 158.8,1311 29,1312 12.901,1313 4.755,1314 3.954,1315 84.724,1316 306,1317 324,1318 0.129,1319 331.695,1320 598.9,1321 801.096,1322 118513,1324 33.719,1325 0.702,1326 0.546,1327 33.719,1328 26.22,1329 23.385,1330 0.45,1331 0.3,1332 15.322,1333 22.225,1334 15.115,1335 12.413,1336 23.385,1337 15.609,1338 20.366,1339 0.295,1340 0.16,1341 20.366,1342 11.031,1343 16.431,1344 0.187,1345 0.087,1346 16.431,1347 7.662,1348 13.389,1349 0.121,1350 0.047,1351 13.389,1352 5.251,1353 10.567,1354 0.078,1355 0.026,1356 10.567,1357 3.536,1358 0.209,1359 148.759,1360 0.169,1361 42.197,1362 0.337,1363 242,1364 837.888,1365 275.085,1366 773.449,1367 1025.67,1368 724,1369 278,1370 717.657,1371 310.207,1372 712.5,1373 1043.03,1374 670,1375 7.523} {0 CHEMBL290617,1 1.505,2 14.452,3 3.045,4 9.271,5 117.631,6 7.196,7 0.515,8 4.161,9 4.265,10 3.693,11 3.634,12 5.256,13 3.627,14 4.703,15 4.866,16 3.965,17 3.964,18 5.771,19 3.94,20 4.855,21 5.036,22 3.968,23 4.063,24 5.876,25 3.997,26 4.955,27 5.172,28 3.9,29 4.037,30 5.95,31 3.955,32 4.93,33 5.157,34 3.847,35 4.012,36 5.866,37 3.924,38 4.866,39 5.09,40 3.846,41 4.041,42 5.763,43 3.933,44 4.94,45 5.183,46 3.846,47 4.053,48 5.862,49 3.938,50 4.856,51 5.097,52 3.827,53 4.023,54 5.729,55 3.924,56 0.031,57 0.788,58 12.616,59 5.649,60 9.626,61 7.164,62 0.51,63 1.205,64 24.834,65 8.637,66 41.478,67 11.061,68 0.492,69 1.353,70 28.984,71 10.722,72 42.867,73 14.039,74 0.537,75 1.414,76 33.482,77 11.332,78 61.986,79 15.196,80 0.596,81 1.376,82 33.105,83 10.997,84 59.976,85 14.866,86 0.436,87 1.392,88 29.664,89 10.927,90 40.541,91 15.238,92 0.613,93 1.454,94 33.049,95 11.356,96 59.987,97 16.11,98 0.388,99 1.384,100 29.877,101 10.429,102 36.731,103 14.763,104 16,105 42,106 0.245,107 0.567,108 0.772,109 0.833,110 0.86,111 0.86,112 3.471,113 0.929,114 -3.63,115 -3.6,116 -3.43,118 40.7,119 1,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 7,180 10,185 2,186 10,194 5,197 1,198 10,206 1,209 1,210 6,218 2,221 2,222 7,229 2,233 2,234 9,242 2,247 6,255 4,258 2,259 6,267 8,270 2062,271 21.378,272 21.378,273 21.378,274 21.378,275 21.378,276 19.217,277 24.247,278 13.102,279 22.167,280 16.203,281 16.203,282 16.203,283 16.203,284 16.203,285 12.931,286 25.344,287 6.096,288 17.242,289 4.377,290 2.399,291 1.144,292 0.771,293 0.602,294 0.602,295 4.156,299 1,300 1,301 939,302 4.183,305 109.688,306 253.503,313 2.015,314 28.133,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68,326 448,327 4.187,328 3.658,329 6.028,330 3.815,331 2.822,332 3.767,333 1.674,334 8.585,335 2.795,336 4.039,337 3.068,338 5.597,339 3.652,340 2.708,341 3.635,342 1.151,343 7.735,344 2.589,345 3.954,346 2.885,347 5.471,348 3.567,349 2.621,350 3.49,351 1.151,352 7.317,353 2.445,354 3.727,355 2.802,356 5.313,357 3.383,358 2.407,359 3.068,360 0.86,361 6.86,362 2.347,363 3.514,364 2.616,365 5.134,366 3.196,367 2.275,368 2.775,370 6.353,371 2.088,372 3.326,373 2.401,374 5.001,375 3.054,376 2.109,377 2.398,379 5.993,380 1.976,381 2.909,382 2.083,383 4.199,384 2.517,385 1.586,386 1.974,388 3.866,389 1.459,390 2.581,391 1.817,392 3.498,393 2.133,394 1.235,395 1.609,397 2.685,398 1.106,399 2.5,400 1.717,401 3.42,402 2,403 1.125,404 1.5,406 2.469,407 1,408 2.5,409 1.369,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.239,418 1.182,419 3.414,420 1.995,421 1,422 1.225,424 2.275,425 0.969,426 2.118,427 1,428 3.123,429 1.814,430 0.847,431 0.968,433 1.575,434 0.803,435 2.07,436 1,437 3,438 1.606,439 0.708,440 0.927,442 1.372,443 0.627,444 1.854,445 0.916,446 2.911,447 1.553,448 0.618,449 0.787,451 1.346,452 0.577,453 1.529,454 0.618,455 2.691,456 1.27,457 0.403,458 0.442,460 0.666,461 0.346,462 14.467,463 0.467,464 0.499,465 0.016,466 38,467 1.226,468 18,469 0.581,470 20,471 0.645,472 25.178,473 0.812,474 34.733,475 0.589,476 29.642,477 0.956,478 8.097,479 0.261,480 7.076,481 0.228,482 0.092,484 0.235,487 0.83,488 1.466,489 0.801,490 1.3,491 0.667,492 1.085,493 1.365,494 0.916,495 1.042,496 0.89,497 0.874,498 0.895,499 1.095,500 1.117,501 1.08,502 1.159,503 0.86,504 1.127,505 1.249,506 1.034,507 1.08,508 1.069,509 1.327,510 1.049,511 1.266,512 0.912,513 1.051,514 0.92,515 1.32,516 0.944,517 0.702,518 1.133,519 0.982,520 1.143,521 0.535,522 1.121,523 0.77,524 1.007,525 0.938,526 0.97,527 0.715,528 0.983,529 0.844,530 0.979,531 0.915,532 0.92,533 0.594,534 0.924,535 5.5,536 0.127,537 2.667,538 1.097,539 0.919,540 0.723,541 0.394,542 0.299,543 0.224,544 0.217,545 14308,546 39864,547 2.05,548 47.5,550 22,551 1,552 2,555 3,558 1.736,559 1.958,560 3.777,561 -0.767,563 1,567 88.821,568 1.505,569 3.484,570 4.738,571 5.111,572 5.281,573 5.281,574 3.229,575 4.414,576 4.922,577 3.958,578 1840.65,579 8.598,580 28588.8,582 1,584 1,585 347.076,586 1.191,587 4.904,588 0.167,589 0.004,590 0.063,591 0.027,592 0.026,593 0.021,594 0.011,595 0.009,596 0.006,597 0.006,598 0.34,599 0.33,600 0.88,601 1.061,602 165.738,603 -0.014,604 -0.271,605 0.07,606 -0.172,607 -0.028,608 -0.057,609 -0.118,610 0.166,611 -0.053,612 0.113,613 -0.015,614 0.056,615 -0.016,616 -0.096,617 -0.112,618 -0.136,619 0.01,620 -0.142,621 -0.107,622 -0.074,623 -0.075,624 -0.094,625 -0.078,626 -0.08,627 -0.129,628 0.037,629 -0.039,630 0.048,631 -0.151,632 0.024,633 0.079,634 -0.122,635 -0.038,636 -0.133,637 0.035,638 -0.113,639 0.083,640 -0.033,641 0.035,642 0.009,643 0.063,644 0.012,645 -0.064,646 0.03,647 0.042,648 0.066,649 -0.021,650 0.075,651 1.984,652 4.751,653 0.548,654 37.18,655 1.006,656 1.126,657 2.4,658 5.761,659 0.647,660 3.526,661 3.761,662 3.951,663 4.094,664 4.205,665 4.22,666 4.248,667 4.263,668 4.344,669 4.419,670 8.29,671 0.618,672 424.54,673 3.526,674 5.017,675 5.82,676 6.642,677 7.458,678 8.283,679 9.102,680 9.929,681 10.75,682 11.577,683 3.4,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 59,726 18,727 2,728 33,730 61,731 24,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 1,753 16,754 8,756 1,761 1,765 1,769 1,772 28,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 31,846 5,848 4,850 1,862 8.5,865 1,866 2,867 2,869 15.833,870 10.983,871 7.194,872 3.415,874 2.103,875 1.298,876 0.933,877 9.096,878 9.172,879 3.773,880 4.266,881 4.744,882 5.184,883 5.521,884 5.541,885 5.633,886 5.593,887 5.798,888 6.071,889 0.9,890 40,891 11.44,893 4.606,894 7.731,895 21.814,897 16.84,899 2.231,900 69.167,903 1,904 329.591,905 164.698,906 18.685,908 69.144,911 164.698,912 398.735,913 18.685,914 19.708,915 20.475,916 84.857,917 103.282,918 47.746,919 11.771,920 294.278,922 329.591,923 183.383,924 69.144,927 294.278,928 82.458,929 22,931 48.866,932 117.732,933 16.786,935 329.591,936 87.829,937 164.698,940 329.591,941 42.467,942 124.131,944 85.93,945 329.591,946 87.829,947 164.698,949 0.556,950 0.318,951 0.162,952 0.08,953 16,954 7,955 0.213,956 13,958 1,959 4.444,960 248.838,962 17,963 145.58,968 23.01,969 12.255,970 7.511,972 85.93,973 20.449,974 4.091,978 3.387,979 1.968,981 582.118,982 42.5,987 11.751,991 -0.317,994 59.327,995 66.441,996 0.256,997 0.592,998 0.805,999 0.869,1000 0.898,1001 0.898,1002 4.958,1003 1.235,1004 5.746,1005 3.866,1006 4.443,1007 4.952,1008 2.594,1009 6.431,1010 4.335,1011 6.103,1012 1.125,1013 7.226,1014 2.685,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.357,1021 1,1022 8.799,1023 2.469,1024 5.922,1025 7.002,1026 3.212,1027 10.063,1028 5.734,1029 8.644,1030 1,1031 10.425,1032 2.275,1033 6.089,1034 7.36,1036 11.504,1037 5.901,1038 9.962,1039 0.847,1040 12.086,1041 2.275,1042 7.63,1043 9.305,1044 4.011,1045 13.953,1046 7.383,1047 11.3,1048 0.708,1049 13.77,1050 1.575,1051 8.192,1052 10.056,1054 15.733,1055 7.939,1056 12.651,1057 0.618,1058 15.468,1059 1.372,1060 9.459,1061 11.73,1062 4.923,1063 17.979,1064 9.164,1065 2.822,1066 0.403,1067 17.178,1068 1.346,1069 10.225,1070 12.693,1072 19.923,1073 9.919,1074 2.708,1075 8.585,1076 18.896,1077 0.666,1078 11.359,1079 14.223,1080 5.898,1081 22.087,1082 11.024,1083 2.621,1084 7.735,1085 20.621,1086 3.767,1087 12.235,1088 15.31,1090 24.115,1091 11.887,1092 2.407,1093 7.317,1094 22.352,1095 3.635,1096 13.304,1097 16.757,1098 6.902,1099 26.249,1100 12.935,1101 2.275,1102 6.86,1103 24.088,1104 3.49,1105 14.24,1106 17.921,1108 28.323,1109 13.858,1110 2.109,1111 6.353,1112 25.828,1113 3.068,1114 15.278,1115 19.317,1116 7.92,1117 30.447,1118 14.88,1119 1.586,1120 5.993,1121 27.572,1122 2.775,1123 16.248,1124 20.531,1126 32.546,1127 15.838,1128 13976,1129 23444,1130 22.246,1131 38.182,1132 47.461,1133 48.511,1134 48.195,1135 46.84,1136 46.931,1137 60.13,1138 9.672,1139 122.746,1140 44.255,1141 5.118,1142 5.658,1143 5.798,1144 4.902,1145 4.822,1146 6.767,1147 3.349,1148 14.476,1149 4.795,1150 13.735,1151 1.438,1152 1.47,1153 1.46,1154 1.419,1155 1.422,1156 1.822,1157 0.293,1158 3.72,1159 1.341,1160 3.985,1161 4.027,1162 3.92,1163 3.888,1164 7.433,1165 3.889,1166 3.922,1167 3.953,1168 3.865,1169 3.843,1170 4.964,1171 3.843,1172 3.895,1173 3.929,1174 3.834,1175 3.712,1176 4.875,1177 3.739,1178 3.584,1179 3.616,1180 3.483,1181 3.361,1182 4.76,1183 3.382,1184 3.517,1185 3.568,1186 3.391,1187 3.298,1188 4.598,1189 3.306,1190 3.317,1191 3.363,1192 3.171,1193 3.102,1194 4.458,1195 3.109,1196 3.237,1197 3.287,1198 3.081,1199 3.036,1200 4.386,1201 3.041,1202 3.04,1203 3.106,1204 2.865,1205 2.8,1206 4.238,1207 2.787,1208 0.127,1209 0.111,1210 0.183,1211 0.116,1212 0.086,1213 4.187,1214 0.114,1215 3.658,1216 0.051,1217 6.028,1218 0.26,1219 3.815,1220 0.085,1221 2.822,1222 3.767,1223 1.674,1224 8.585,1225 2.795,1226 1.922,1227 1.902,1228 2.03,1229 2.023,1230 1.208,1231 2.024,1232 1.9,1233 1.879,1234 2.015,1235 2.001,1236 1.148,1237 2.005,1238 1.682,1239 1.63,1240 1.865,1241 1.903,1242 1.111,1243 1.894,1244 1.488,1245 1.431,1246 1.8,1247 1.745,1248 0.937,1249 1.759,1250 1.366,1251 1.313,1252 1.589,1253 1.616,1254 0.706,1255 1.604,1256 1.279,1257 1.216,1258 1.563,1259 1.54,1260 0.631,1261 1.549,1262 1.251,1263 1.201,1264 1.468,1265 1.524,1266 0.582,1267 1.511,1268 1.156,1269 1.098,1270 1.402,1271 1.405,1272 0.52,1273 1.405,1274 4.205,1276 5.46,1277 2.398,1278 6.893,1279 4.443,1280 8.403,1281 6.26,1282 9.953,1284 3.436,1290 2.32,1292 22.225,1294 -0.143,1300 36.465,1301 88.821,1302 205.535,1303 279.566,1304 301.566,1305 311.566,1306 311.566,1307 57.549,1308 7.069,1309 71.81,1310 71.81,1311 17,1312 12.154,1313 4.248,1314 3.392,1315 58.26,1316 148,1317 171,1318 0.178,1319 226.03,1320 396.17,1321 543.272,1322 11049,1324 21.891,1325 0.706,1326 0.577,1327 21.891,1328 17.899,1329 15.173,1330 0.46,1331 0.31,1332 10.007,1333 14.366,1334 9.735,1335 8.109,1336 15.173,1337 10.217,1338 12.602,1339 0.3,1340 0.166,1341 12.602,1342 6.973,1343 10.333,1344 0.203,1345 0.091,1346 10.333,1347 4.656,1348 7.93,1349 0.134,1350 0.05,1351 7.93,1352 2.979,1353 5.65,1354 0.086,1355 0.029,1356 5.65,1357 1.894,1358 0.289,1359 96.662,1360 0.212,1361 29.967,1362 0.462,1363 150,1364 505.968,1365 168.692,1366 465.968,1367 620.4,1368 440,1369 168,1370 427.748,1371 186.974,1372 432.247,1373 621.8,1374 401,1375 5.444} {0 CHEMBL290637,1 1.552,2 12.966,3 1.843,4 3.396,5 109.936,6 7.324,7 0.548,8 4.079,9 4.191,10 3.623,11 3.56,12 5.211,13 3.556,14 4.601,15 4.761,16 3.903,17 3.903,18 5.706,19 3.88,20 4.772,21 4.946,22 3.893,23 4.007,24 5.827,25 3.935,26 4.894,27 5.125,28 3.793,29 3.969,30 5.856,31 3.87,32 4.86,33 5.108,34 3.736,35 3.907,36 5.754,37 3.809,38 4.748,39 4.976,40 3.753,41 3.902,42 5.652,43 3.806,44 4.795,45 5.026,46 3.78,47 3.937,48 5.777,49 3.841,50 4.789,51 5.03,52 3.755,53 3.958,54 5.675,55 3.861,56 0.049,57 0.752,58 11.319,59 4.903,60 11.654,61 6.293,62 0.405,63 1.131,64 21.712,65 7.743,66 39.662,67 9.896,68 0.45,69 1.282,70 25.949,71 9.819,72 43.337,73 12.834,74 0.48,75 1.355,76 31.381,77 10.571,78 56.473,79 14.566,80 0.536,81 1.279,82 31.186,83 10.11,84 54.254,85 14.071,86 0.438,87 1.224,88 26.548,89 9.422,90 39.075,91 13.171,92 0.502,93 1.286,94 28.052,95 9.585,96 56.921,97 13.484,98 0.442,99 1.291,100 28.169,101 9.556,102 42.139,103 13.442,104 14,105 40,106 0.257,107 0.607,108 0.773,109 0.829,110 0.859,111 0.859,112 3.407,113 0.901,114 -2.8,115 -2.81,116 -2.72,118 40.7,123 1,124 4,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,159 1,160 1,161 1,168 10,171 1,172 5,174 1,175 1,177 1,180 10,183 1,185 2,186 8,191 2,194 5,196 2,197 1,198 7,203 2,208 2,209 1,210 5,215 1,220 1,221 2,222 7,233 1,234 9,236 1,237 1,242 1,247 7,255 4,258 1,259 4,267 8,270 1768,271 19.8,272 19.8,273 19.8,274 19.8,275 19.8,276 17.588,277 22.729,278 11.994,279 20.375,280 15.244,281 15.244,282 15.244,283 15.244,284 15.244,285 11.957,286 24.434,287 5.646,288 16.06,289 4.203,290 2.094,291 1.088,292 0.755,293 0.57,294 0.57,295 4.091,299 1,300 1,301 791,302 3.937,305 100.635,306 233.787,313 1.834,314 26.316,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 63.5,326 376,327 4.166,328 3.5,329 5.929,330 3.794,331 2.79,332 3.756,333 1.151,334 8.23,335 2.8,336 4.035,337 3.061,338 5.592,339 3.633,340 2.686,341 3.635,342 1.151,343 7.721,344 2.582,345 3.957,346 2.923,347 5.479,348 3.591,349 2.641,350 3.49,351 0.98,352 7.335,353 2.462,354 3.707,355 2.726,356 5.302,357 3.362,358 2.387,359 3.04,360 0.86,361 6.806,362 2.333,363 3.492,364 2.654,365 5.112,366 3.167,367 2.233,368 2.767,370 6.283,371 2.072,372 3.346,373 2.421,374 5.018,375 3.083,376 2.141,377 2.407,379 6.043,380 1.997,381 2.785,382 1.989,383 3.799,384 2.315,385 1.312,386 1.792,388 3.017,389 1.305,390 2.581,391 1.808,392 3.505,393 2.142,394 1.248,395 1.608,397 2.709,398 1.112,399 2.5,400 1.32,401 3.414,402 2,403 1.097,404 1.5,406 2.443,407 1,408 2.5,409 1.166,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.252,418 1,419 3.403,420 1.978,421 1,422 1.234,424 2.275,425 0.954,426 2.118,427 1,428 3.066,429 1.554,430 0.626,431 0.927,433 1.381,434 0.577,435 1.769,436 0.966,437 3,438 1.52,439 0.618,440 0.692,442 1.372,443 0.552,444 1.633,445 0.618,446 2.788,447 1.369,448 0.489,449 0.543,451 0.839,452 0.425,453 1.087,454 0.441,455 2.524,456 0.862,457 -0.055,458 -0.061,460 -0.118,461 -0.05,462 13.533,463 0.467,464 0.537,465 0.019,466 36.75,467 1.267,468 18,469 0.621,470 18.75,471 0.647,472 22.114,473 0.763,474 32.067,475 0.594,476 28.072,477 0.968,478 7.892,479 0.272,480 6.244,481 0.215,482 0.091,484 0.251,487 0.867,488 1.378,489 0.805,490 1.204,491 0.757,492 1.019,493 1.372,494 0.916,495 1.036,496 0.9,497 0.789,498 0.904,499 1.093,500 1.181,501 1.149,502 1.245,503 0.95,504 1.223,505 1.124,506 1.049,507 1.068,508 1.101,509 0.964,510 1.082,511 1.158,512 0.877,513 0.971,514 0.901,515 0.902,516 0.905,517 0.792,518 1.054,519 0.94,520 1.071,521 0.51,522 1.042,523 0.875,524 1.014,525 0.977,526 1.007,527 0.743,528 1.01,529 1.006,530 0.872,531 0.951,532 0.82,533 0.628,534 0.866,535 5.5,536 0.16,537 2.444,538 0.972,539 0.919,540 0.695,541 0.334,542 0.24,543 0.273,544 0.197,545 11802,546 33916,547 2.053,548 46.3,550 20,551 1,552 2,553 2,558 1.72,559 1.955,560 3.636,561 0.228,562 1,563 1,567 83.805,568 1.552,569 3.661,570 4.667,571 5,572 5.185,573 5.185,574 3.073,575 4.073,576 4.827,577 3.829,578 1554.44,579 8.412,580 22804.1,582 1,584 1,585 310.764,586 1.233,587 4.804,588 0.177,589 0.006,590 0.061,591 0.026,592 0.029,593 0.022,594 0.01,595 0.007,596 0.008,597 0.006,598 0.353,599 0.33,600 0.88,601 0.772,602 151.064,603 -0.049,604 -0.174,605 0.052,606 -0.107,607 -0.077,608 -0.021,609 -0.163,610 0.171,611 -0.074,612 0.111,613 0.009,614 0.047,615 -0.02,616 -0.162,617 -0.2,618 -0.21,619 -0.033,620 -0.237,621 -0.073,622 -0.107,623 -0.071,624 -0.124,625 -0.044,626 -0.101,627 -0.074,628 0.032,629 0.048,630 0.062,631 -0.059,632 0.076,633 0.092,634 -0.083,635 0.026,636 -0.071,637 0.062,638 -0.041,639 0.045,640 -0.034,641 -0.002,642 -0.022,643 0.058,644 -0.021,645 -0.124,646 0.103,647 0.024,648 0.165,649 -0.059,650 0.13,651 2.109,652 4.186,653 0.586,654 31.479,655 1.006,656 1.128,657 1.568,658 2.459,659 0.652,660 3.466,661 3.714,662 3.892,663 4.025,664 4.143,665 4.159,666 4.159,667 4.143,668 4.29,669 4.369,670 7.698,671 0.624,672 395.5,673 3.466,674 4.963,675 5.765,676 6.589,677 7.403,678 8.228,679 9.046,680 9.871,681 10.69,682 11.515,683 5.6,690 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,711 1,722 1,724 54,726 18,727 2,728 31,730 56,731 22,733 15,734 4,735 8,736 1,739 3,740 3,751 1,753 16,754 6,756 1,761 1,765 1,769 1,772 25,773 6,774 2,775 7,778 1,779 3,784 1,785 4,801 1,802 2,831 2,832 3,836 1,840 29,841 1,846 4,848 3,850 1,862 7.4,865 1,866 2,867 1,869 14.833,870 9.65,871 6.611,872 2.874,874 2.104,875 1.304,876 0.951,877 7.817,878 9.032,879 3.726,880 4.238,881 4.708,882 5.149,883 5.491,884 5.496,885 5.545,886 5.437,887 5.75,888 6.039,889 0.889,890 37,891 10.673,893 4.34,894 7.782,895 20.256,897 15.799,899 2.282,900 66.167,904 270.735,905 148.794,906 51.582,908 58.145,911 148.794,912 328.88,913 51.582,914 10.883,915 48.78,916 84.857,917 100.796,918 36.747,919 11.771,920 235.422,922 270.735,923 200.376,924 58.145,927 270.735,928 36.145,929 22,931 68.345,932 115.245,933 16.786,935 270.735,936 109.726,937 148.794,940 270.735,941 35.388,942 115.306,944 107.827,945 270.735,946 109.726,947 148.794,949 0.565,950 0.318,951 0.156,952 0.078,953 16,954 7,955 0.196,956 11,958 1,959 4.258,960 228.667,962 17,963 132.881,968 21.056,969 10.765,970 6.714,972 107.827,973 20.232,974 4.075,978 3.318,979 1.956,980 32.897,981 529.256,982 40.5,987 11.186,991 -0.442,994 54.334,995 60.9,996 0.27,997 0.636,998 0.811,999 0.869,1000 0.901,1001 0.901,1002 4.914,1003 1.248,1004 5.7,1005 3.017,1006 4.394,1007 4.924,1008 2.272,1009 6.385,1010 4.303,1011 6.072,1012 1.097,1013 7.183,1014 2.709,1015 3.761,1016 4.46,1018 7.024,1019 3.675,1020 7.33,1021 1,1022 8.756,1023 2.443,1024 5.878,1025 6.984,1026 2.394,1027 9.997,1028 5.717,1029 8.62,1030 1,1031 10.382,1032 2.275,1033 6.066,1034 7.347,1036 11.422,1037 5.91,1038 9.939,1039 0.626,1040 12.04,1041 2.275,1042 7.586,1043 9.29,1044 2.555,1045 13.848,1046 7.377,1047 11.276,1048 0.618,1049 13.718,1050 1.381,1051 8.153,1052 10.038,1054 15.6,1055 7.945,1056 12.626,1057 0.489,1058 15.411,1059 1.372,1060 9.409,1061 11.716,1062 2.748,1063 17.818,1064 9.165,1065 2.79,1066 -0.055,1067 17.114,1068 0.839,1069 10.171,1070 12.673,1072 19.727,1073 9.926,1074 2.686,1075 8.23,1076 18.823,1077 -0.118,1078 11.298,1079 14.206,1080 2.964,1081 21.858,1082 11.03,1083 2.641,1084 7.721,1085 20.539,1086 3.756,1087 12.166,1088 15.288,1090 23.847,1091 11.897,1092 2.387,1093 7.335,1094 22.259,1095 3.635,1096 13.229,1097 16.737,1098 3.198,1099 25.942,1100 12.945,1101 2.233,1102 6.806,1103 23.983,1104 3.49,1105 14.155,1106 17.897,1108 27.973,1109 13.871,1110 2.141,1111 6.283,1112 25.71,1113 3.04,1114 15.187,1115 19.293,1116 3.445,1117 30.056,1118 14.894,1119 1.312,1120 6.043,1121 27.441,1122 2.767,1123 16.146,1124 20.503,1126 32.11,1127 15.854,1128 11481,1129 19568,1130 20.86,1131 35.211,1132 45.102,1133 45.779,1134 45.385,1135 44.457,1136 44.535,1137 57.784,1138 8.283,1139 117.458,1140 42.341,1141 5.096,1142 5.5,1143 5.546,1144 4.88,1145 4.79,1146 6.756,1147 2.302,1148 13.812,1149 4.8,1150 13.082,1151 1.455,1152 1.477,1153 1.464,1154 1.434,1155 1.437,1156 1.864,1157 0.267,1158 3.789,1159 1.366,1160 3.985,1161 4.028,1162 3.92,1163 3.889,1164 7.437,1165 3.89,1166 3.915,1167 3.951,1168 3.856,1169 3.843,1170 4.965,1171 3.841,1172 3.901,1173 3.934,1174 3.841,1175 3.712,1176 4.904,1177 3.74,1178 3.574,1179 3.608,1180 3.474,1181 3.359,1182 4.874,1183 3.378,1184 3.391,1185 3.433,1186 3.306,1187 3.166,1188 4.725,1189 3.191,1190 3.295,1191 3.35,1192 3.157,1193 3.061,1194 4.587,1195 3.074,1196 3.095,1197 3.166,1198 2.899,1199 2.825,1200 4.401,1201 2.82,1202 2.97,1203 3.057,1204 2.783,1205 2.735,1206 4.237,1207 2.718,1208 0.134,1209 0.113,1210 0.191,1211 0.122,1212 0.09,1213 4.166,1214 0.121,1215 3.5,1216 0.037,1217 5.929,1218 0.265,1219 3.794,1220 0.09,1221 2.79,1222 3.756,1223 1.151,1224 8.23,1225 2.8,1226 1.925,1227 1.903,1228 2.033,1229 2.026,1230 1.209,1231 2.027,1232 1.899,1233 1.878,1234 2.014,1235 1.999,1236 1.142,1237 2.004,1238 1.683,1239 1.631,1240 1.866,1241 1.905,1242 1.116,1243 1.895,1244 1.373,1245 1.325,1246 1.597,1247 1.635,1248 0.703,1249 1.616,1250 1.295,1251 1.255,1252 1.554,1253 1.58,1254 0.631,1255 1.561,1256 1.281,1257 1.218,1258 1.48,1259 1.526,1260 0.594,1261 1.52,1262 1.194,1263 1.125,1264 1.453,1265 1.493,1266 0.516,1267 1.492,1268 1.03,1269 0.954,1270 1.329,1271 1.328,1272 0.402,1273 1.332,1274 4.143,1276 5.407,1277 2.398,1278 6.845,1279 4.443,1280 8.356,1281 6.26,1282 9.905,1284 1.644,1288 5.278,1290 1.955,1292 17.119,1294 -0.154,1300 33.718,1301 83.805,1302 197.691,1303 252.009,1304 270.009,1305 280.009,1306 280.009,1307 51.85,1308 6.928,1309 88.6,1310 88.6,1311 17,1312 12.093,1313 4.248,1314 3.392,1315 52.416,1316 126,1317 149,1318 0.185,1319 209.643,1320 363.78,1321 503.289,1322 9058,1324 20.476,1325 0.706,1326 0.564,1327 20.476,1328 16.361,1329 14.135,1330 0.456,1331 0.3,1332 9.12,1333 13.433,1334 8.89,1335 7.397,1336 14.135,1337 9.306,1338 12.08,1339 0.302,1340 0.165,1341 12.08,1342 6.617,1343 9.727,1344 0.203,1345 0.092,1346 9.727,1347 4.429,1348 7.336,1349 0.133,1350 0.051,1351 7.336,1352 2.793,1353 5.304,1354 0.086,1355 0.029,1356 5.304,1357 1.776,1358 0.298,1359 89.814,1360 0.219,1361 28.249,1362 0.485,1363 142,1364 463.545,1365 158.066,1366 434.287,1367 576.4,1368 408,1369 159,1370 397.138,1371 175.485,1372 405.148,1373 578.38,1374 375,1375 5.222} {0 CHEMBL290733,1 1.821,2 7.789,3 1.997,4 3.987,5 72.137,6 9.459,7 0.714,8 3.525,9 3.597,10 3.335,11 3.143,12 4.817,13 3.126,14 3.969,15 4.074,16 3.744,17 3.556,18 5.346,19 3.508,20 4.131,21 4.25,22 3.706,23 3.585,24 5.373,25 3.504,26 4.204,27 4.39,28 3.596,29 3.483,30 5.396,31 3.41,32 4.006,33 4.162,34 3.357,35 3.318,36 5.239,37 3.24,38 3.957,39 4.119,40 3.386,41 3.156,42 5.52,43 3.12,44 3.735,45 3.897,46 3.085,47 2.934,48 5.065,49 2.857,50 3.427,51 3.621,52 2.494,53 2.53,54 4.694,55 2.46,56 0.124,57 0.414,58 4.007,59 2.633,60 15.605,61 2.363,62 0.273,63 0.681,64 7.398,65 4.21,66 33.196,67 3.985,68 0.246,69 0.745,70 12.63,71 5.982,72 24.963,73 5.614,74 0.356,75 0.776,76 15.84,77 6.249,78 46.751,79 6.57,80 0.288,81 0.652,82 14.446,83 5.395,84 30.489,85 5.458,86 0.427,87 0.588,88 10.205,89 4.321,90 63.912,91 4.451,92 0.343,93 0.483,94 11.619,95 3.9,96 49.394,97 3.393,98 0.284,99 0.343,100 7.585,101 2.563,102 31.239,103 2.586,104 11,105 30,106 0.343,107 0.745,108 0.859,109 0.903,110 0.903,111 0.903,112 3.011,113 0.913,114 -2.74,115 -2.75,116 -2.67,118 44.8,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 3,171 1,172 1,175 1,177 2,180 6,181 2,186 4,191 4,194 4,195 1,198 2,203 3,206 2,207 1,210 5,213 1,215 1,216 1,219 2,222 3,225 1,226 1,227 2,234 2,235 1,237 1,246 1,247 1,250 1,260 1,270 353,271 12.671,272 12.671,273 12.671,274 12.671,275 12.671,276 10.751,277 12.816,278 7.411,279 13.051,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 7.465,286 17.679,287 3.563,288 11.047,289 3.037,290 0.906,291 0.302,292 0.069,293 0.069,294 0.069,295 3.684,299 1,300 1,301 319,302 2.646,305 88.462,306 45.72,309 71.155,313 1.38,314 23.66,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 42,326 148,327 4.601,328 3.591,329 6.564,330 4.098,331 3.148,332 4.558,333 1.437,334 10.423,335 2.99,336 4.016,337 3.164,338 5.834,339 3.616,340 2.668,341 3.539,342 0.522,343 7.981,344 2.525,345 3.883,346 2.791,347 5.547,348 3.441,349 2.498,350 3.356,352 7.441,353 2.341,354 3.48,355 2.263,356 5.047,357 3.042,358 2.066,359 2.843,361 6.014,362 2.004,363 3.355,364 2.193,365 5.024,366 2.843,367 1.922,368 2.691,370 5.668,371 1.744,372 2.647,373 1.587,374 3.794,375 2.134,376 1.196,377 1.666,379 2.807,380 1.114,381 2.554,382 1.233,383 3.654,384 1.999,385 1.046,386 1.514,388 2.503,389 0.975,390 2.18,391 0.905,392 3.388,393 1.625,394 0.743,395 1.043,397 2.064,398 0.636,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.175,409 0.427,410 2.77,411 0.76,412 -0.177,413 -0.228,415 -0.516,416 -0.164,417 0.971,418 0.05,419 2.626,420 0.588,421 -0.341,422 -0.436,424 -0.895,425 -0.312,426 0.491,427 -0.094,428 2.125,429 0.012,430 -0.954,431 -1.228,433 -2,434 -0.883,435 0.479,436 -0.833,437 2,438 -0.015,439 -1,440 -1.301,442 -2.638,443 -0.939,444 0.131,445 -0.96,446 1.472,447 -0.235,448 -1.141,449 -1.575,451 -3.39,452 -1.035,453 -0.007,454 -1.195,455 1.376,456 -0.418,457 -1.349,458 -1.792,460 -3.609,461 -1.282,462 9.133,463 0.481,464 0.541,465 0.028,466 26.5,467 1.395,468 14,469 0.737,470 12.5,471 0.658,472 12.18,473 0.641,474 19.667,475 0.678,476 16.972,477 0.893,478 5.266,479 0.277,480 3.865,481 0.203,482 0.109,484 0.372,487 0.908,488 1.073,489 0.699,490 0.764,491 0.823,492 0.728,493 0.626,494 0.755,495 0.802,496 0.723,497 0.436,498 0.742,499 0.77,500 1.208,501 1.167,502 1.377,503 0.786,504 1.273,505 0.91,506 0.929,507 0.875,508 0.96,509 0.887,510 0.944,511 0.848,512 1.24,513 1.32,514 1.38,515 0.848,516 1.225,517 0.937,518 1.04,519 0.775,520 0.886,521 0.875,522 0.98,523 1.483,524 1.013,525 1.412,526 1.109,527 1.522,528 1.042,529 1.212,530 0.86,531 1.136,532 0.841,533 1.469,534 1.072,535 4.5,536 0.04,537 1.778,538 1.542,539 1.089,540 0.58,541 0.366,542 0.178,543 0.099,544 0.055,545 3239,546 11757,547 2.081,548 34.5,550 5,551 1,552 2,553 2,558 1.603,559 1.932,560 2.979,561 0.445,563 1,564 1,565 1,567 52.802,568 1.821,569 3.952,570 4.556,571 4.789,572 4.789,573 4.789,574 2.484,575 3.616,576 4.217,577 3.123,578 533.992,579 7.184,580 5158.24,581 1,582 1,584 1,585 140.881,586 1.462,587 4.171,588 0.214,589 0.01,590 0.059,591 0.059,592 0.045,593 0.029,594 0.019,595 0.014,596 0.012,597 0.009,598 0.472,599 0.67,600 1,601 0.868,602 81.78,603 -0.167,604 -0.055,605 0.008,606 0.114,607 -0.148,608 0.075,609 0.058,610 0.334,611 0.035,612 0.214,613 0.162,614 0.105,615 -0.036,616 -0.245,617 -0.146,618 -0.32,619 -0.055,620 -0.312,621 -0.046,623 0.123,624 0.017,625 -0.051,626 0.1,627 -0.005,628 -0.293,629 -0.224,630 -0.316,631 -0.044,632 -0.204,633 0.19,634 -0.106,635 0.117,636 -0.002,637 0.277,638 -0.023,639 -0.24,640 -0.039,641 -0.191,642 -0.002,643 -0.265,644 -0.037,645 -0.048,646 0.088,647 -0.214,648 0.036,649 -0.27,650 -0.083,651 2.642,652 3.965,653 0.737,654 13.934,655 1.027,656 1.111,657 1.507,658 2.271,659 0.726,660 3.091,661 3.434,662 3.689,663 3.97,664 4.111,665 4.263,666 4.29,667 4.407,668 4.382,669 4.248,670 4.823,671 0.706,672 274.32,673 3.091,674 4.635,675 5.485,676 6.372,677 7.244,678 8.136,679 9.016,680 9.912,681 10.796,682 11.694,683 6.9,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,721 1,724 29,726 16,727 1,728 21,730 31,731 13,733 11,734 4,735 2,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 4,774 2,775 6,776 1,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,834 1,840 19,845 2,846 1,856 1,862 10.3,864 2,865 1,869 9.833,870 5.133,871 4.083,872 1.515,874 2.864,875 1.434,876 0.96,877 3.085,878 9.455,879 3.418,880 4.086,881 4.705,882 5.348,883 5.796,884 6.245,885 6.597,886 7.043,887 7.223,888 7.382,889 1,890 26,891 6.995,893 3.065,894 8.096,895 12.924,897 10.682,899 2.596,900 49.333,904 94.169,905 97.298,906 18.685,908 110.512,910 31.278,911 66.02,912 204.68,913 18.685,915 2.106,916 37.476,917 160.368,918 16.705,919 13.875,920 90.133,922 94.169,923 84.705,924 110.512,925 31.278,927 94.169,928 110.512,931 21.671,932 46.249,933 16.786,934 31.278,935 94.169,936 129.196,937 97.298,940 94.169,941 42.156,942 57.041,944 127.297,945 94.169,946 129.196,947 97.298,949 0.59,950 0.336,951 0.18,952 0.092,953 16,954 7,955 0.097,956 3,957 1,958 1.143,959 3.162,960 141.49,961 0.143,962 14,963 80.711,964 1,968 12.326,969 4.756,970 2.391,971 1.351,972 127.297,973 10.258,974 3.956,977 1.162,978 1.239,979 1.881,980 85.367,981 320.663,982 29.5,987 10.939,991 -0.975,994 29.796,995 32.206,996 0.375,997 0.814,998 0.938,999 0.986,1000 0.986,1001 0.986,1002 4.642,1003 0.743,1004 5.485,1005 2.503,1006 4.111,1007 4.771,1008 1.736,1009 6.297,1010 3.993,1011 5.882,1012 0.618,1013 7.045,1014 2.064,1015 3.761,1016 4.677,1018 7.159,1019 3.593,1020 7.206,1021 -0.177,1022 8.7,1023 1.372,1024 5.707,1025 7.059,1026 2.269,1027 10.253,1028 5.487,1029 8.568,1030 -0.341,1031 10.41,1032 -0.516,1033 6.155,1034 7.811,1036 11.924,1037 5.873,1038 9.959,1039 -0.954,1040 12.153,1041 -0.895,1042 7.585,1043 9.651,1044 2.925,1045 14.531,1046 7.266,1047 11.372,1048 -1,1049 13.92,1050 -2,1051 8.392,1052 10.801,1054 16.562,1055 8.006,1056 12.802,1057 -1.141,1058 15.705,1059 -2.638,1060 9.627,1061 12.433,1062 3.619,1063 18.997,1064 9.206,1065 3.148,1066 -1.349,1067 17.503,1068 -3.39,1069 10.604,1070 13.777,1072 21.197,1073 10.119,1074 2.668,1075 10.423,1076 19.313,1077 -3.609,1078 11.766,1079 15.33,1080 4.33,1081 23.569,1082 11.241,1083 2.498,1084 7.981,1085 21.131,1086 4.558,1087 12.824,1088 16.765,1090 25.846,1091 12.24,1092 2.066,1093 7.441,1094 22.958,1095 3.539,1096 13.962,1097 18.29,1098 5.047,1099 28.197,1100 13.334,1101 1.922,1102 6.014,1103 24.792,1104 3.356,1105 15.059,1106 19.768,1108 30.51,1109 14.376,1110 1.196,1111 5.668,1112 26.632,1113 2.843,1114 16.192,1115 21.284,1116 5.769,1117 32.854,1118 15.462,1119 1.046,1120 2.807,1121 28.477,1122 2.691,1123 17.31,1124 22.782,1126 35.182,1127 16.526,1128 3177,1129 6152,1130 13.929,1131 21.068,1132 32.385,1133 32.594,1134 32.276,1135 31.818,1136 31.81,1137 44.275,1138 3.916,1139 92.548,1140 29.812,1141 5.373,1142 5.591,1143 6.178,1144 5.211,1145 5.148,1146 7.558,1147 2.873,1148 17.351,1149 4.99,1150 8.97,1151 1.542,1152 1.552,1153 1.537,1154 1.515,1155 1.515,1156 2.108,1157 0.186,1158 4.407,1159 1.42,1160 4.103,1161 4.113,1162 4.339,1163 4.113,1164 7.475,1165 4.067,1166 3.886,1167 3.941,1168 3.863,1169 3.699,1170 6.47,1171 3.719,1172 3.502,1173 3.505,1174 3.542,1175 3.403,1176 6.351,1177 3.39,1178 3.136,1179 3.155,1180 3.152,1181 2.922,1182 4.96,1183 2.94,1184 2.994,1185 2.995,1186 3.029,1187 2.823,1188 4.718,1189 2.824,1190 2.708,1191 2.787,1192 2.54,1193 2.483,1194 4.107,1195 2.488,1196 2.468,1197 2.568,1198 2.363,1199 2.268,1200 3.551,1201 2.254,1202 2.315,1203 2.387,1204 2.259,1205 2.019,1206 3.461,1207 1.984,1208 0.219,1209 0.171,1210 0.313,1211 0.195,1212 0.15,1213 4.601,1214 0.217,1215 3.591,1216 0.068,1217 6.564,1218 0.496,1219 4.098,1220 0.142,1221 3.148,1222 4.558,1223 1.437,1224 10.423,1225 2.99,1226 1.943,1227 1.93,1228 2.01,1229 2.019,1230 1.223,1231 2.023,1232 1.555,1233 1.541,1234 1.684,1235 1.749,1236 0.855,1237 1.73,1238 1.475,1239 1.447,1240 1.5,1241 1.619,1242 0.672,1243 1.603,1244 1.294,1245 1.228,1246 1.433,1247 1.525,1248 0.445,1249 1.512,1250 0.982,1251 0.947,1252 1.132,1253 1.199,1254 0.246,1255 1.178,1256 0.876,1257 0.868,1258 1.059,1259 1.078,1260 0.101,1261 1.096,1262 0.612,1263 0.58,1264 0.929,1265 0.945,1267 0.957,1268 0.339,1269 0.263,1270 0.661,1271 0.674,1273 0.707,1274 3.761,1276 5.094,1277 3.045,1278 6.597,1279 5.283,1280 8.187,1281 7.298,1282 9.829,1289 18.935,1290 0.587,1300 20.482,1301 52.802,1302 114.617,1303 132.127,1304 138.881,1305 138.881,1306 138.881,1307 30.836,1308 6.592,1309 75.35,1310 103.59,1311 16,1312 12.22,1313 4.087,1314 3.248,1315 27.82,1316 57,1317 44,1318 0.26,1319 129.507,1320 212.08,1321 307.757,1322 5299,1324 13.405,1325 0.706,1326 0.558,1327 13.759,1328 10.593,1329 9.131,1330 0.435,1331 0.304,1332 5.56,1333 8.298,1334 5.384,1335 4.435,1336 9.539,1337 6.394,1338 8.6,1339 0.287,1340 0.175,1341 9.243,1342 5.261,1343 6.942,1344 0.178,1345 0.1,1346 7.799,1347 3.881,1348 5.849,1349 0.112,1350 0.057,1351 6.742,1352 2.948,1353 4.193,1354 0.07,1355 0.031,1356 4.945,1357 1.847,1358 0.395,1359 61.713,1360 0.268,1361 18.863,1362 0.742,1363 102,1364 344.186,1365 137.679,1366 352.669,1367 469.65,1368 326,1369 120,1370 320.369,1371 154,1372 341.645,1373 497.76,1374 319,1375 7.284} {0 CHEMBL290882,1 1.394,2 17.378,3 6.628,4 43.934,5 173.757,6 6.975,7 0.375,8 4.54,9 4.646,10 4.026,11 4.079,12 5.648,13 4.044,14 5.086,15 5.243,16 4.373,17 4.478,18 6.213,19 4.412,20 5.407,21 5.604,22 4.479,23 4.67,24 6.389,25 4.578,26 5.563,27 5.782,28 4.494,29 4.728,30 6.535,31 4.625,32 5.562,33 5.78,34 4.516,35 4.79,36 6.489,37 4.672,38 5.646,39 5.889,40 4.504,41 4.821,42 6.543,43 4.686,44 5.599,45 5.836,46 4.484,47 4.813,48 6.492,49 4.677,50 5.613,51 5.849,52 4.499,53 4.801,54 6.547,55 4.67,56 0.06,57 1.124,58 19.277,59 9.099,60 22.253,61 11.472,62 0.487,63 1.839,64 35.363,65 15.064,66 86.567,67 19.727,68 0.378,69 2.417,70 50.311,71 20.257,72 89.185,73 26.888,74 0.895,75 2.688,76 61.417,77 22.572,78 129.16,79 30.007,80 0.501,81 2.808,82 59.426,83 23.659,84 100.094,85 31.996,86 0.752,87 3.009,88 65.997,89 25.249,90 126.255,91 34.925,92 0.514,93 2.924,94 61.963,95 24.683,96 98.597,97 34.042,98 0.506,99 2.922,100 63.095,101 24.858,102 103.745,103 34.142,104 74,105 65,106 0.208,107 0.54,108 0.749,109 0.861,110 0.89,111 0.894,112 3.832,113 0.97,114 -5.22,115 -5.11,116 -4.78,118 42,119 2,120 7,121 1,122 1,124 1,126 1,127 1,133 3,134 1,140 10,141 4,142 1,143 2,154 2,163 2,167 2,168 27,169 2,171 1,172 9,175 2,177 4,180 31,181 2,186 13,191 4,194 30,195 2,198 13,201 1,203 4,206 29,207 2,210 13,215 3,218 32,219 2,222 11,225 1,227 4,229 34,230 2,234 9,239 6,242 38,243 2,247 8,248 2,252 5,255 33,256 4,258 2,259 10,260 1,262 2,264 7,267 27,268 4,270 5037,271 30.05,272 30.05,273 30.05,274 30.05,275 30.05,276 27.002,277 25.389,278 18.251,279 30.246,280 23.712,281 23.712,282 23.712,283 23.712,284 23.712,285 19.299,286 21.824,287 8.689,288 24.049,289 5.065,290 2.839,291 1.443,292 0.693,293 0.494,294 0.472,295 4.522,300 1,301 1633,302 5.385,306 709.796,313 2.636,314 52.648,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 97.5,326 782,327 4.603,328 3.835,329 7.669,330 4.518,331 3.521,332 4.016,333 2.341,334 13.63,335 3.51,336 4.359,337 3.597,338 6.664,339 4.057,340 3.083,341 3.856,342 2.341,343 10.707,344 3.007,345 4.301,346 3.596,347 6.499,348 3.998,349 3,350 3.755,351 1.465,352 10.176,353 2.983,354 3.75,355 3.409,356 5.72,357 3.455,358 2.483,359 3.205,360 0.811,361 7.516,362 2.411,363 3.645,364 3.024,365 5.524,366 3.29,367 2.297,368 2.804,370 6.698,371 2.281,372 3.555,373 2.773,374 5.218,375 3.24,376 2.234,377 2.718,379 6.047,380 2.222,381 3.55,382 2.431,383 4.66,384 3.237,385 2.233,386 2.71,388 5.184,389 2.218,390 3.333,391 2.221,392 4.659,393 2.97,394 1.98,395 2.56,397 5.184,398 1.958,399 3.127,400 2.151,401 4.557,402 2.722,403 1.735,404 2.211,406 4.491,407 1.709,408 2.971,409 1.978,410 4.339,411 2.655,412 1.67,413 2.105,415 4.102,416 1.642,417 2.868,418 1.918,419 4.096,420 2.493,421 1.517,422 2.016,424 3.589,425 1.475,426 2.804,427 1.637,428 3.814,429 2.454,430 1.469,431 1.866,433 3.161,434 1.443,435 2.756,436 1.534,437 3.636,438 2.391,439 1.414,440 1.791,442 3.093,443 1.374,444 2.5,445 1.435,446 3.63,447 2.275,448 1.291,449 1.5,451 3.032,452 1.267,453 2.5,454 1.344,455 3.574,456 2.014,457 1.017,458 1.5,460 2.539,461 1.01,462 21.233,463 0.472,464 1.095,465 0.024,466 50.75,467 1.128,468 24,469 0.533,470 26.75,471 0.594,472 52.207,473 1.16,474 50.167,475 0.57,476 47.104,477 1.047,478 9.849,479 0.219,480 11.814,481 0.263,482 0.126,483 0.024,484 0.259,487 0.829,488 1.154,489 0.877,490 1.106,491 0.79,492 1.017,493 0.688,494 1.1,495 0.928,496 1.095,497 0.467,498 1.058,499 0.939,500 1.126,501 1.007,502 1.128,503 0.839,504 1.088,505 1.218,506 0.915,507 1.064,508 0.922,509 0.798,510 0.962,511 0.862,512 1.097,513 1.029,514 1.101,515 0.648,516 1.097,517 0.787,518 0.956,519 0.965,520 0.964,521 0.65,522 0.99,523 0.711,524 1.027,525 0.982,526 1.047,527 0.599,528 1.058,529 0.761,530 1.057,531 0.969,532 1.072,533 0.705,534 1.06,535 8.5,536 0.437,537 5.556,538 3.25,539 1.969,540 1.576,541 1.314,542 0.962,543 0.727,544 0.521,545 35796,546 100175,547 2.013,548 48.9,549 16,550 16,551 1,552 2,553 3,554 4,556 1,558 1.83,559 1.882,560 4.017,561 0.638,567 122.699,568 1.394,569 3.621,570 5.017,571 5.766,572 5.965,573 5.988,574 3.475,575 5.014,576 5.453,577 4.233,578 4191.05,579 9.69,580 81741.2,585 568.43,586 1.494,587 5.415,588 0.177,589 0.007,590 0.085,591 0.046,592 0.028,593 0.022,594 0.019,595 0.014,596 0.01,597 0.008,598 0.416,599 0.17,600 0.75,601 1.737,602 265.522,603 -0.059,604 0.012,605 0.017,606 0.036,607 -0.081,608 0.038,609 0.154,610 -0.004,611 0.002,612 -0.016,613 0.173,614 -0.03,615 -0.06,616 -0.095,617 -0.053,618 -0.09,619 -0.065,620 -0.073,621 -0.112,622 0.069,623 -0.063,624 0.071,625 -0.06,626 0.02,627 -0.061,628 -0.082,629 -0.08,630 -0.075,631 -0.04,632 -0.08,633 -0.016,634 0.038,635 -0.007,636 0.036,637 -0.015,638 0.02,639 -0.034,640 -0.018,641 -0.043,642 -0.028,643 -0.023,644 -0.035,645 -0.023,646 -0.061,647 -0.021,648 -0.057,649 -0.038,650 -0.041,651 2.494,652 4.71,653 0.533,654 73.307,655 0.999,656 1.121,657 3.986,658 15.886,659 0.65,660 3.892,661 4.19,662 4.419,663 4.635,664 4.868,665 4.977,666 5.165,667 5.273,668 5.357,669 5.429,670 9.898,671 0.615,672 613.81,673 3.892,674 5.425,675 6.256,676 7.122,677 7.98,678 8.859,679 9.732,680 10.619,681 11.502,682 12.395,683 1.1,693 1,699 12,700 1,704 5,706 18,721 1,724 88,726 22,727 2,728 48,730 91,731 37,733 17,734 4,735 8,736 2,739 4,740 4,745 2,746 1,748 1,749 1,751 8,753 23,754 14,755 1,756 4,761 2,763 3,765 3,772 43,773 8,774 3,775 8,779 1,784 1,785 7,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,836 2,840 45,845 3,846 8,848 2,850 3,852 1,862 8,864 3,865 2,866 2,869 23.917,870 15.717,871 10.056,872 5.367,874 2.87,875 1.346,876 0.906,877 12.521,878 11.168,879 4.127,880 4.63,881 5.086,882 5.562,883 6.055,884 6.209,885 6.608,886 6.885,887 7.135,888 7.399,889 0.917,890 70,891 16.745,893 7.092,894 7.869,895 31.869,897 26.136,899 2.369,900 106.583,904 470.844,905 199.378,906 16.786,908 200.34,911 199.378,912 671.184,913 16.786,914 17.65,915 22.334,916 123.551,917 242.487,918 34.023,919 11.771,920 435.531,922 470.844,923 216.163,924 200.34,927 459.073,928 190.111,929 22,930 0.36,931 58.079,932 112.51,933 45.214,935 470.844,936 217.125,937 199.378,940 471.204,941 40.082,942 158.936,944 217.125,945 470.844,946 217.125,947 199.378,949 0.572,950 0.318,951 0.164,952 0.089,953 26,954 13,955 0.165,956 15,958 1,959 5.264,960 450.467,962 24,963 241.133,968 34.114,969 16.517,970 9.609,972 217.125,973 23.045,974 4.298,978 3.938,980 128.05,981 887.347,982 61,987 21.76,989 5.995,991 -0.555,994 87.949,995 98.683,996 0.216,997 0.561,998 0.777,999 0.893,1000 0.923,1001 0.927,1002 5.364,1003 1.98,1004 6.244,1005 5.184,1006 4.875,1007 5.318,1008 3.167,1009 7.067,1010 4.846,1011 6.545,1012 1.735,1013 7.817,1014 5.184,1015 4.511,1016 4.987,1017 2.882,1018 8.238,1019 4.479,1020 7.837,1021 1.67,1022 9.516,1023 4.491,1024 6.497,1025 7.363,1026 4.435,1027 11.332,1028 6.448,1029 9.165,1030 1.517,1031 11.298,1032 4.102,1033 7.013,1034 7.841,1035 4.797,1036 13.425,1037 6.964,1038 10.53,1039 1.469,1040 13.139,1041 3.589,1042 8.489,1043 9.715,1044 5.946,1045 16.127,1046 8.426,1047 11.921,1048 1.414,1049 15.021,1050 3.161,1051 9.406,1052 10.588,1053 6.581,1054 18.54,1055 9.344,1056 13.335,1057 1.291,1058 16.935,1059 3.093,1060 10.702,1061 12.232,1062 7.564,1063 21.148,1064 10.63,1065 3.521,1066 1.017,1067 18.872,1068 3.032,1069 11.798,1070 13.317,1071 8.318,1072 23.675,1073 11.726,1074 3.083,1075 13.63,1076 20.827,1077 2.539,1078 13.036,1079 14.841,1080 9.228,1081 26.267,1082 12.959,1083 3,1084 10.707,1085 22.796,1086 4.016,1087 14.208,1088 16.045,1089 10.035,1090 28.838,1091 14.13,1092 2.483,1093 10.176,1094 24.776,1095 3.856,1096 15.435,1097 17.501,1098 10.912,1099 31.432,1100 15.353,1101 2.297,1102 7.516,1103 26.765,1104 3.755,1105 16.642,1106 18.773,1107 11.744,1108 34.023,1109 16.559,1110 2.234,1111 6.698,1112 28.761,1113 3.205,1114 17.87,1115 20.191,1116 12.606,1117 36.623,1118 17.785,1119 2.233,1120 6.047,1121 30.764,1122 2.804,1123 19.094,1124 21.503,1125 13.448,1126 39.223,1127 19.008,1128 35060,1129 58750,1130 31.493,1131 57.177,1132 71.769,1133 72.487,1134 72.62,1135 70.632,1136 70.589,1137 88.043,1138 13.916,1139 197.783,1140 69.437,1141 5.603,1142 5.835,1143 7.471,1144 5.59,1145 5.521,1146 7.016,1147 3.925,1148 21.645,1149 5.51,1150 25.745,1151 1.495,1152 1.51,1153 1.513,1154 1.472,1155 1.471,1156 1.834,1157 0.29,1158 4.12,1159 1.447,1160 4.057,1161 4.081,1162 3.996,1163 3.99,1164 7.477,1165 3.987,1166 3.948,1167 3.971,1168 3.889,1169 3.875,1170 7.472,1171 3.874,1172 3.846,1173 3.881,1174 3.779,1175 3.762,1176 6.469,1177 3.761,1178 3.768,1179 3.807,1180 3.664,1181 3.665,1182 6.352,1183 3.657,1184 3.727,1185 3.776,1186 3.605,1187 3.59,1188 6.35,1189 3.583,1190 3.655,1191 3.687,1192 3.557,1193 3.503,1194 4.93,1195 3.506,1196 3.541,1197 3.587,1198 3.431,1199 3.41,1200 4.833,1201 3.405,1202 3.43,1203 3.466,1204 3.317,1205 3.258,1206 4.692,1207 3.261,1208 0.096,1209 0.08,1210 0.16,1211 0.094,1212 0.073,1213 4.603,1214 0.084,1215 3.835,1216 0.049,1217 7.669,1218 0.284,1219 4.518,1220 0.073,1221 3.521,1222 4.016,1223 2.341,1224 13.63,1225 3.51,1226 2.004,1227 1.982,1228 2.109,1229 2.089,1230 1.378,1231 2.095,1232 1.932,1233 1.91,1234 2.054,1235 2.036,1236 1.331,1237 2.042,1238 1.836,1239 1.804,1240 1.989,1241 1.947,1242 1.272,1243 1.959,1244 1.764,1245 1.724,1246 1.949,1247 1.898,1248 1.141,1249 1.916,1250 1.718,1251 1.667,1252 1.921,1253 1.886,1254 1.082,1255 1.902,1256 1.62,1257 1.583,1258 1.816,1259 1.801,1260 1.013,1261 1.803,1262 1.532,1263 1.483,1264 1.766,1265 1.699,1266 0.877,1267 1.722,1268 1.392,1269 1.348,1270 1.63,1271 1.603,1272 0.83,1273 1.607,1274 4.575,1276 5.878,1278 7.376,1280 8.97,1282 10.619,1284 4.169,1289 28.588,1290 3.93,1292 12.992,1294 -1.048,1296 -0.529,1300 54.088,1301 122.699,1302 318.637,1303 441.462,1304 507.41,1305 524.92,1306 526.92,1307 136.948,1308 8.298,1309 126.18,1310 126.18,1311 24,1312 12.925,1313 4.524,1314 3.807,1315 88.161,1316 263,1317 292,1318 0.159,1319 332.825,1320 604.73,1321 803.854,1322 49724,1324 32.236,1325 0.716,1326 0.577,1327 32.236,1328 25.971,1329 21.663,1330 0.451,1331 0.323,1332 15.356,1333 20.996,1334 14.951,1335 12.42,1336 21.663,1337 15.515,1338 19.418,1339 0.299,1340 0.184,1341 19.418,1342 11.978,1343 15.188,1344 0.185,1345 0.1,1346 15.188,1347 8.229,1348 12.096,1349 0.119,1350 0.055,1351 12.096,1352 5.61,1353 9.717,1354 0.075,1355 0.03,1356 9.717,1357 3.872,1358 0.255,1359 135.088,1360 0.178,1361 39.872,1362 0.423,1363 226,1364 659.036,1365 246.319,1366 628.183,1367 831.6,1368 584,1369 260,1370 579.476,1371 278.442,1372 587.153,1373 852.53,1374 551,1375 7.523} {0 CHEMBL290933,1 1.538,2 13,3 2.45,4 6,5 111.437,6 7.565,7 0.515,8 4.1,9 4.194,10 3.685,11 3.593,12 5.204,13 3.599,14 4.653,15 4.8,16 3.995,17 3.958,18 5.741,19 3.949,20 4.79,21 4.954,22 3.964,23 4.049,24 5.823,25 3.987,26 4.922,27 5.145,28 3.846,29 3.996,30 5.868,31 3.909,32 4.842,33 5.073,34 3.771,35 3.911,36 5.735,37 3.824,38 4.795,39 5.019,40 3.795,41 3.911,42 5.714,43 3.825,44 4.776,45 4.998,46 3.814,47 3.96,48 5.716,49 3.872,50 4.81,51 5.03,52 3.851,53 4.013,54 5.704,55 3.928,56 0.056,57 0.734,58 10.784,59 5.161,60 8.65,61 6.227,62 0.543,63 1.164,64 22.346,65 8.16,66 38.808,67 9.783,68 0.455,69 1.309,70 25.336,71 10.249,72 34.621,73 12.921,74 0.593,75 1.391,76 32.32,77 11.202,78 57.037,79 14.765,80 0.56,81 1.285,82 30.166,83 10.288,84 48.909,85 13.741,86 0.675,87 1.261,88 28.335,89 9.765,90 47.036,91 13.211,92 0.478,93 1.291,94 26.975,95 9.793,96 48.123,97 13.345,98 0.429,99 1.356,100 27.716,101 10.041,102 37.25,103 13.609,104 6,105 44,106 0.254,107 0.584,108 0.783,109 0.86,110 0.881,111 0.881,112 3.44,113 0.889,114 -3.42,115 -3.4,116 -3.25,118 42.6,123 1,124 5,126 1,140 7,141 4,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 7,180 10,185 2,186 10,194 5,197 1,198 9,209 1,210 5,221 3,222 7,233 1,234 9,242 1,247 7,255 4,258 3,259 4,267 8,270 1868,271 20.748,272 20.748,273 20.748,274 20.748,275 20.748,276 18.587,277 26.4,278 12.438,279 21.44,280 16.248,281 16.248,282 16.248,283 16.248,284 16.248,285 12.899,286 31.128,287 5.873,288 17.22,289 4.216,290 2.216,291 1.012,292 0.546,293 0.421,294 0.421,295 4.139,299 1,300 1,301 850,302 3.674,305 182.413,306 207.87,309 145.782,313 1.8,314 28.013,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 66,326 390,327 4.408,328 3.733,329 6.49,330 4.055,331 3.066,332 4.035,333 1.727,334 10.094,335 3.027,336 4.035,337 3.068,338 5.594,339 3.634,340 2.693,341 3.635,342 1.151,343 7.727,344 2.582,345 3.957,346 2.929,347 5.479,348 3.593,349 2.642,350 3.49,351 1.151,352 7.335,353 2.463,354 3.73,355 2.821,356 5.367,357 3.376,358 2.408,359 3.075,360 0.86,361 6.977,362 2.334,363 3.492,364 2.66,365 5.113,366 3.168,367 2.237,368 2.767,369 0.636,370 6.285,371 2.072,372 3.352,373 2.541,374 5.033,375 3.086,376 2.145,377 2.416,379 6.071,380 1.999,381 3.102,382 2.341,383 4.814,384 2.734,385 1.731,386 2.244,388 5.061,389 1.723,390 2.77,391 1.867,392 4.115,393 2.349,394 1.404,395 1.832,397 3.594,398 1.313,399 2.582,400 1.764,401 3.507,402 2.142,403 1.251,404 1.61,406 2.711,407 1.112,408 2.5,409 1.32,410 3.423,411 2,412 1.114,413 1.5,415 2.474,416 1,417 2.253,418 1.238,419 3.414,420 1.984,421 1,422 1.237,424 2.275,425 0.959,426 2.118,427 1.165,428 3.224,429 1.617,430 0.697,431 0.927,433 1.613,434 0.633,435 1.9,436 1,437 3.088,438 1.554,439 0.618,440 0.806,442 1.372,443 0.577,444 1.752,445 0.965,446 3,447 1.486,448 0.586,449 0.661,451 1.284,452 0.52,453 1.626,454 0.618,455 2.792,456 1.358,457 0.472,458 0.528,460 0.834,461 0.414,462 13.967,463 0.466,464 0.55,465 0.018,466 38,467 1.267,468 18,469 0.6,470 20,471 0.667,472 23.496,473 0.783,474 32.833,475 0.608,476 28.61,477 0.954,478 8.049,479 0.268,480 6.659,481 0.222,482 0.06,484 0.279,487 0.824,488 1.404,489 0.741,490 1.233,491 0.64,492 1.014,493 1.352,494 0.855,495 1.021,496 0.83,497 0.865,498 0.844,499 0.947,500 1.2,501 1.104,502 1.268,503 0.81,504 1.232,505 1.128,506 1,507 1.064,508 1.05,509 1.077,510 1.047,511 1.086,512 0.957,513 0.995,514 0.973,515 0.904,516 0.969,517 0.868,518 0.959,519 0.966,520 0.957,521 0.583,522 0.978,523 0.783,524 1.043,525 0.936,526 0.995,527 0.729,528 0.995,529 0.88,530 1.041,531 0.976,532 0.972,533 0.621,534 0.986,535 5.5,536 0.174,537 2.667,538 1.451,539 0.946,540 0.601,541 0.39,542 0.24,543 0.311,544 0.192,545 13535,546 38197,547 2.128,548 44.4,550 21,551 1,552 2,558 1.729,559 2.045,560 3.638,561 -0.759,562 1,563 1,567 83.073,568 1.538,569 3.539,570 4.742,571 5.208,572 5.334,573 5.334,574 3.089,575 4.574,576 4.878,577 3.816,578 1659.92,579 8.512,580 24677,582 1,584 1,585 310.764,586 1.159,587 4.862,588 0.167,589 0.005,590 0.061,591 0.036,592 0.028,593 0.019,594 0.012,595 0.007,596 0.008,597 0.005,598 0.348,599 0.33,600 1,601 0.588,602 157.314,603 -0.026,604 -0.254,605 0.077,606 -0.155,607 -0.023,608 -0.042,609 -0.147,610 0.219,611 -0.069,612 0.159,613 -0.038,614 0.081,615 0.003,616 -0.181,617 -0.182,618 -0.245,619 -0.002,620 -0.252,621 -0.088,622 -0.062,623 -0.055,624 -0.078,625 -0.065,626 -0.062,627 -0.069,628 -0.023,629 0.02,630 -0.006,631 -0.054,632 0.02,633 0.099,634 0.006,635 0.031,636 0.014,637 0.06,638 0.009,639 0.019,640 -0.049,641 0.024,642 -0.007,643 0.046,644 0.007,645 -0.089,646 -0.03,647 -0.023,648 0.015,649 -0.058,650 0.011,651 1.928,652 4.606,653 0.667,654 31.582,655 1.01,656 1.122,657 2.189,658 4.792,659 0.66,660 3.526,661 3.807,662 4.043,663 4.248,664 4.357,665 4.394,666 4.466,667 4.511,668 4.564,669 4.654,670 7.675,671 0.637,672 408.49,673 3.526,674 5.043,675 5.872,676 6.72,677 7.561,678 8.412,679 9.258,680 10.112,681 10.96,682 11.816,683 3.7,691 1,693 1,699 10,700 1,704 5,705 1,706 17,715 1,722 1,724 54,726 18,727 2,728 33,730 57,731 23,733 15,734 5,735 7,736 1,739 4,740 5,751 1,753 16,754 7,756 1,761 1,765 1,769 1,772 24,773 6,775 7,778 1,779 2,784 0.75,785 5,801 2,802 2,805 1,831 2,832 3,836 1,840 30,846 5,848 4,850 1,862 9.3,865 1,866 2,867 2,869 14.667,870 9.9,871 6.722,872 2.992,874 2.198,875 1.299,876 0.965,877 6.796,878 9.556,879 3.773,880 4.307,881 4.819,882 5.302,883 5.652,884 5.737,885 5.882,886 5.947,887 6.084,888 6.263,889 0.889,890 40,891 11.083,893 4.623,894 7.728,895 21.175,897 16.995,899 2.228,900 66.833,903 1,904 282.506,905 149.583,906 18.685,908 69.144,911 149.583,912 351.651,913 18.685,914 10.883,915 20.475,916 75.381,917 103.282,918 50.932,919 11.771,920 247.193,922 282.506,923 168.267,924 69.144,927 282.506,928 47.145,929 22,931 40.04,932 111.441,933 16.786,935 282.506,936 87.829,937 149.583,940 282.506,941 45.652,942 105.829,944 85.93,945 282.506,946 87.829,947 149.583,949 0.57,950 0.33,951 0.172,952 0.084,953 20,954 8,955 0.175,956 10,957 1,958 1.1,959 4.384,960 251.462,961 0.1,962 20,963 141.207,968 20.604,969 9.895,970 5.492,972 85.93,973 18.875,974 4.093,978 4.43,979 1.969,981 519.918,982 42.5,987 11.606,991 -0.262,994 54.56,995 60.611,996 0.267,997 0.615,998 0.824,999 0.905,1000 0.927,1001 0.927,1002 4.985,1003 1.404,1004 5.82,1005 5.061,1006 4.489,1007 4.994,1008 2.678,1009 6.555,1010 4.386,1011 6.149,1012 1.251,1013 7.328,1014 3.594,1015 3.892,1016 4.605,1018 7.286,1019 3.801,1020 7.422,1021 1.114,1022 8.931,1023 2.711,1024 6.014,1025 7.084,1026 3.305,1027 10.333,1028 5.84,1029 8.73,1030 1,1031 10.59,1032 2.474,1033 6.275,1034 7.547,1036 11.925,1037 6.109,1038 10.07,1039 0.697,1040 12.287,1041 2.275,1042 7.793,1043 9.444,1044 4.165,1045 14.459,1046 7.571,1047 11.431,1048 0.618,1049 14.01,1050 1.613,1051 8.459,1052 10.31,1054 16.435,1055 8.243,1056 12.809,1057 0.586,1058 15.754,1059 1.372,1060 9.725,1061 11.951,1062 5.15,1063 18.805,1064 9.472,1065 3.066,1066 0.472,1067 17.515,1068 1.284,1069 10.598,1070 13.032,1072 20.962,1073 10.349,1074 2.693,1075 10.094,1076 19.29,1077 0.834,1078 11.755,1079 14.547,1080 6.196,1081 23.281,1082 11.484,1083 2.642,1084 7.727,1085 21.077,1086 4.035,1087 12.736,1088 15.749,1090 25.521,1091 12.466,1092 2.408,1093 7.335,1094 22.874,1095 3.635,1096 13.85,1097 17.198,1098 7.269,1099 27.828,1100 13.566,1101 2.237,1102 6.977,1103 24.682,1104 3.49,1105 14.886,1106 18.471,1108 30.106,1109 14.603,1110 2.145,1111 6.285,1112 26.498,1113 3.075,1114 15.986,1115 19.886,1116 8.353,1117 32.412,1118 15.694,1119 1.731,1120 6.071,1121 28.321,1122 2.767,1123 17.053,1124 21.201,1126 34.708,1127 16.759,1128 12714,1129 21496,1130 22.652,1131 35.659,1132 48.521,1133 49.654,1134 48.906,1135 47.997,1136 48.124,1137 61.526,1138 11.05,1139 131.415,1140 45.454,1141 5.341,1142 5.733,1143 6.106,1144 5.152,1145 5.066,1146 7.035,1147 3.455,1148 16.717,1149 5.027,1150 10.896,1151 1.47,1152 1.505,1153 1.482,1154 1.454,1155 1.458,1156 1.864,1157 0.335,1158 3.982,1159 1.377,1160 4.019,1161 4.044,1162 3.969,1163 3.933,1164 7.433,1165 3.937,1166 3.938,1167 3.981,1168 3.877,1169 3.847,1170 4.964,1171 3.847,1172 3.903,1173 3.935,1174 3.842,1175 3.714,1176 4.878,1177 3.742,1178 3.586,1179 3.616,1180 3.49,1181 3.369,1182 4.776,1183 3.391,1184 3.41,1185 3.431,1186 3.322,1187 3.211,1188 4.615,1189 3.23,1190 3.293,1191 3.344,1192 3.154,1193 3.063,1194 4.447,1195 3.075,1196 3.09,1197 3.159,1198 2.895,1199 2.882,1200 4.282,1201 2.872,1202 3.013,1203 3.076,1204 2.861,1205 2.822,1206 4.192,1207 2.814,1208 0.134,1209 0.113,1210 0.197,1211 0.123,1212 0.093,1213 4.408,1214 0.122,1215 3.733,1216 0.052,1217 6.49,1218 0.306,1219 4.055,1220 0.092,1221 3.066,1222 4.035,1223 1.727,1224 10.094,1225 3.027,1226 1.918,1227 1.899,1228 2.021,1229 2.015,1230 1.223,1231 2.016,1232 1.899,1233 1.878,1234 2.011,1235 1.99,1236 1.171,1237 1.997,1238 1.682,1239 1.63,1240 1.865,1241 1.898,1242 1.122,1243 1.891,1244 1.367,1245 1.318,1246 1.597,1247 1.626,1248 0.731,1249 1.612,1250 1.282,1251 1.239,1252 1.551,1253 1.555,1254 0.693,1255 1.538,1256 1.248,1257 1.22,1258 1.483,1259 1.531,1260 0.605,1261 1.508,1262 1.237,1263 1.184,1264 1.453,1265 1.514,1266 0.531,1267 1.503,1268 1.163,1269 1.099,1270 1.411,1271 1.406,1272 0.512,1273 1.415,1274 4.205,1276 5.493,1277 3.045,1278 6.957,1279 5.283,1280 8.502,1281 7.261,1282 10.091,1284 1.648,1290 2.316,1292 22.308,1294 -0.149,1300 34.412,1301 83.073,1302 191.08,1303 256.093,1304 281.254,1305 288.009,1306 288.009,1307 47.652,1308 7.358,1309 71.81,1310 71.81,1311 22,1312 12.371,1313 4.248,1314 3.392,1315 47.013,1316 131,1317 158,1318 0.159,1319 209.044,1320 366.51,1321 501.827,1322 16014,1324 20.761,1325 0.692,1326 0.561,1327 20.761,1328 16.822,1329 14.708,1330 0.446,1331 0.296,1332 9.571,1333 13.923,1334 9.344,1335 7.723,1336 14.708,1337 9.78,1338 12.713,1339 0.289,1340 0.162,1341 12.713,1342 7.123,1343 10.767,1344 0.192,1345 0.088,1346 10.767,1347 4.939,1348 8.611,1349 0.125,1350 0.048,1351 8.611,1352 3.304,1353 6.259,1354 0.081,1355 0.027,1356 6.259,1357 2.057,1358 0.256,1359 93.869,1360 0.21,1361 28.934,1362 0.421,1363 154,1364 511.968,1365 172.692,1366 472.109,1367 632.75,1368 446,1369 177,1370 440.748,1371 196.639,1372 446.809,1373 648.07,1374 414,1375 5.208} {0 CHEMBL29106,1 1.61,2 12.718,3 6.502,4 42.277,5 153.49,6 8.252,7 0.558,8 4.309,9 4.399,10 4.069,11 3.968,12 5.394,13 3.914,14 4.852,15 4.985,16 4.392,17 4.383,18 6.119,19 4.305,20 5.162,21 5.342,22 4.475,23 4.572,24 6.2,25 4.456,26 5.261,27 5.454,28 4.466,29 4.611,30 6.296,31 4.492,32 5.313,33 5.495,34 4.566,35 4.689,36 6.346,37 4.579,38 5.442,39 5.648,40 4.651,41 4.77,42 6.49,43 4.657,44 5.516,45 5.738,46 4.596,47 4.775,48 6.53,49 4.649,50 5.511,51 5.745,52 4.516,53 4.675,54 6.564,55 4.539,56 0.101,57 0.899,58 14.696,59 6.749,60 22.673,61 7.907,62 0.393,63 1.502,64 24.931,65 11.632,66 80.58,67 14.388,68 0.355,69 2.015,70 42.241,71 16.943,72 76.325,73 20.447,74 0.48,75 2.222,76 49.792,77 18.964,78 95.211,79 22.55,80 0.434,81 2.302,82 47.325,83 19.318,84 94.978,85 23.555,86 0.521,87 2.595,88 52.723,89 22.007,90 102.071,91 28.515,92 0.434,93 2.809,94 56.692,95 23.51,96 99.862,97 30.492,98 0.754,99 2.786,100 65.222,101 23.56,102 152.622,103 28.835,104 29,105 61,106 0.25,107 0.557,108 0.749,109 0.87,110 0.876,111 0.876,112 3.693,113 1.03,114 -5.54,115 -5.42,116 -5.06,118 45.6,120 6,126 1,140 12,141 7,142 2,143 2,154 1,163 1,167 1,168 24,169 1,171 1,172 3,175 3,177 3,180 34,181 1,186 7,191 5,194 38,195 1,198 10,203 5,206 35,207 2,210 8,215 4,218 38,219 4,222 13,227 8,229 35,230 6,234 15,239 9,242 26,243 3,247 13,252 6,253 1,255 18,256 2,259 10,260 1,262 2,263 1,264 5,267 14,268 1,270 3039,271 26.178,272 26.178,273 26.178,274 26.178,275 26.178,276 22.74,277 22.436,278 15.561,279 26.556,280 21.291,281 21.291,282 21.291,283 21.291,284 21.291,285 16.102,286 23.14,287 7.484,288 21.969,289 4.477,290 2.501,291 1.261,292 0.482,293 0.441,294 0.441,295 4.397,297 1,301 1073,302 4.243,306 594.108,310 182.677,313 1.857,314 48.358,317 0.5,318 0.83,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.72,325 83.333,326 496,327 4.852,328 4.686,329 7.308,330 4.325,331 3.396,332 4.7,333 2.341,334 12.509,335 3.296,336 4.64,337 3.606,338 6.976,339 4.279,340 3.29,341 4.375,342 0.68,343 11.893,344 3.087,345 4.033,346 3.45,347 6.213,348 3.735,349 2.74,350 3.534,352 9.182,353 2.723,354 3.91,355 2.965,356 5.567,357 3.534,358 2.542,359 3.455,361 7.492,362 2.523,363 3.838,364 2.898,365 5.412,366 3.354,367 2.418,368 3.395,370 6.984,371 2.299,372 3.577,373 2.752,374 5.193,375 3.274,376 2.296,377 2.899,379 6.328,380 2.196,381 3.516,382 2.454,383 5.077,384 3.159,385 2.177,386 2.779,388 6.077,389 2.096,390 3.404,391 2.237,392 5.019,393 3.05,394 2.056,395 2.623,397 5.695,398 2.036,399 3.185,400 2.098,401 4.642,402 2.878,403 1.891,404 2.345,406 5.067,407 1.854,408 3.021,409 1.702,410 4.609,411 2.509,412 1.56,413 2.141,415 4.544,416 1.44,417 2.893,418 1.645,419 4.044,420 2.451,421 1.475,422 2.052,424 3.32,425 1.413,426 2.756,427 1.528,428 3.755,429 2.311,430 1.321,431 1.859,433 2.993,434 1.306,435 2.5,436 1.378,437 3.574,438 2.175,439 1.178,440 1.5,442 2.929,443 1.172,444 2.5,445 1,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.5,454 1,455 3.309,456 2,457 1,458 1.5,460 2.136,461 1,462 19.181,463 0.492,464 1.046,465 0.027,466 52,467 1.333,468 28.5,469 0.731,470 23.5,471 0.603,472 38.693,473 0.992,474 40.819,475 0.6,476 44.826,477 1.149,478 9.882,479 0.253,480 8.915,481 0.229,482 0.107,483 0.043,484 0.287,487 0.561,488 1.082,489 0.716,490 1.024,491 0.658,492 0.868,493 0.457,494 1.049,495 0.781,496 0.963,497 0.439,498 0.981,499 0.877,500 1.043,501 1.037,502 1.048,503 0.825,504 1.037,505 0.985,506 1.007,507 1.092,508 1.079,509 0.968,510 1.026,511 0.892,512 1.043,513 0.79,514 0.985,515 1.019,516 1.054,517 0.549,518 1.045,519 0.693,520 0.992,521 0.614,522 1.028,523 0.733,524 1.084,525 0.721,526 0.979,527 0.738,528 1.046,529 1.14,530 1.023,531 0.93,532 0.961,533 1.121,534 0.987,535 8.5,536 0.388,537 4.222,538 3,539 2.373,540 1.722,541 1.275,542 0.851,543 0.704,544 0.487,545 22455,546 68270,547 2.088,548 42.6,549 6,550 13,552 2,553 2,554 2,555 4,558 1.802,559 1.958,560 3.555,561 0.111,567 109.486,568 1.61,569 3.587,570 4.826,571 5.606,572 5.646,573 5.646,574 3.011,575 4.67,576 5.252,577 3.771,578 2794.59,579 9.313,580 45932.7,585 413.947,586 1.496,587 5.213,588 0.198,589 0.008,590 0.069,591 0.047,592 0.037,593 0.024,594 0.017,595 0.012,596 0.011,597 0.009,598 0.432,599 0.17,600 0.63,601 0.922,602 214.884,603 0.043,604 0.003,605 0.12,606 0.006,607 -0.098,608 0.058,609 0.252,610 0.001,611 0.009,612 -0.011,613 0.254,614 -0.049,615 -0.092,616 -0.025,617 -0.088,618 -0.035,619 -0.057,620 -0.056,621 -0.118,622 0.012,623 -0.13,624 -0.044,625 -0.067,626 -0.038,627 -0.083,628 -0.058,629 -0.034,630 -0.039,631 -0.105,632 -0.085,633 0.13,634 -0.088,635 0.074,636 -0.071,637 0.083,638 -0.031,639 0.01,640 -0.122,641 0.035,642 -0.067,643 -0.002,644 -0.049,645 -0.107,646 -0.035,647 -0.013,648 0.009,649 -0.105,650 0.008,651 4.632,652 6.089,653 0.718,654 46.592,655 1.004,656 1.11,657 4.313,658 18.598,659 0.706,660 3.784,661 4.127,662 4.382,663 4.682,664 4.984,665 5.142,666 5.333,667 5.537,668 5.694,669 5.811,670 7.553,671 0.666,672 561.14,673 3.784,674 5.342,675 6.192,676 7.086,677 7.962,678 8.866,679 9.755,680 10.667,681 11.563,682 12.479,683 2.9,685 1,693 1,699 14,700 1,704 9,706 24,723 1,724 68,726 27,727 3,728 43,730 72,731 31,733 23,734 8,735 10,739 5,740 6,741 1,748 4,751 7,753 24,754 7,756 3,760 1,761 3,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 0.8,785 4,795 1,802 5,806 1,818 1,830 1,832 4,834 1,837 1,840 39,844 1,845 1,846 6,847 1,850 1,861 1,862 5.9,864 1,865 3,869 19.917,870 11.96,871 8.431,872 4.101,874 3.245,875 1.386,876 0.995,877 8.25,878 11.647,879 4.078,880 4.7,881 5.212,882 5.782,883 6.351,884 6.624,885 7.02,886 7.418,887 7.799,888 8.152,889 1,890 64,891 14.755,893 6.668,894 7.873,895 27.7,897 23.634,899 2.373,900 92.528,904 317.82,905 181.085,906 33.191,907 39.149,908 112.141,910 5.807,911 175.277,912 469.11,913 33.191,915 15.207,916 135.927,917 153.379,918 45.445,920 294.278,921 39.149,922 317.82,923 208.468,924 112.141,925 44.956,927 270.735,928 159.226,931 49.707,932 141.975,933 61.742,935 317.82,936 145.332,937 220.233,939 5.807,940 317.82,941 43.467,942 131.81,943 16.405,944 168.075,945 317.82,946 145.332,947 220.233,949 0.583,950 0.325,951 0.177,952 0.107,953 29,954 13,955 0.125,956 9,957 1,958 1.071,959 4.681,960 404.54,961 0.071,962 28,963 196.131,967 1,968 27.238,969 11.813,970 6.459,972 145.332,973 25.906,974 4.277,978 8.13,980 59.088,981 683.385,982 58,986 -3.715,987 37.814,991 -0.843,994 68.283,995 75.511,996 0.264,997 0.589,998 0.793,999 0.921,1000 0.928,1001 0.928,1002 5.323,1003 2.056,1004 6.201,1005 6.077,1006 4.812,1007 5.389,1008 2.35,1009 7.048,1010 4.755,1011 6.553,1012 1.891,1013 7.782,1014 5.695,1015 4.511,1016 5.359,1017 2.243,1018 8.186,1019 4.374,1020 7.889,1021 1.56,1022 9.477,1023 5.067,1024 6.466,1025 7.651,1026 3.64,1027 11.269,1028 6.345,1029 9.265,1030 1.475,1031 11.244,1032 4.544,1033 6.986,1034 8.448,1035 4.112,1036 13.271,1037 6.779,1038 10.678,1039 1.321,1040 13.061,1041 3.32,1042 8.45,1043 10.263,1044 5.203,1045 15.943,1046 8.248,1047 12.12,1048 1.178,1049 14.914,1050 2.993,1051 9.347,1052 11.442,1053 5.889,1054 18.267,1055 9.068,1056 13.584,1057 1,1058 16.793,1059 2.929,1060 10.633,1061 13.078,1062 6.849,1063 20.821,1064 10.34,1065 3.396,1066 1,1067 18.693,1068 2.275,1069 11.703,1070 14.44,1071 7.625,1072 23.262,1073 11.346,1074 3.29,1075 12.509,1076 20.608,1077 2.136,1078 12.927,1079 16.005,1080 8.526,1081 25.781,1082 12.543,1083 2.74,1084 11.893,1085 22.535,1086 4.7,1087 14.073,1088 17.454,1089 9.342,1090 28.264,1091 13.636,1092 2.542,1093 9.182,1094 24.472,1095 4.375,1096 15.28,1097 18.993,1098 10.216,1099 30.774,1100 14.809,1101 2.418,1102 7.492,1103 26.417,1104 3.534,1105 16.46,1106 20.485,1107 11.051,1108 33.273,1109 15.943,1110 2.296,1111 6.984,1112 28.368,1113 3.455,1114 17.663,1115 22.016,1116 11.912,1117 35.782,1118 17.11,1119 2.177,1120 6.328,1121 30.323,1122 3.395,1123 18.859,1124 23.527,1125 12.755,1126 38.288,1127 18.264,1128 21315,1129 37382,1130 28.72,1131 47.995,1132 64.687,1133 66.41,1134 65.792,1135 64.543,1136 64.258,1137 85.635,1138 6.042,1139 187.077,1140 62.352,1141 5.8,1142 6.686,1143 7.11,1144 5.381,1145 5.396,1146 7.7,1147 3.925,1148 20.092,1149 5.296,1150 19.22,1151 1.504,1152 1.544,1153 1.53,1154 1.501,1155 1.494,1156 1.992,1157 0.141,1158 4.351,1159 1.45,1160 4.134,1161 4.146,1162 4.737,1163 4.102,1164 7.717,1165 4.069,1166 4.031,1167 4.018,1168 4.045,1169 4.017,1170 7.474,1171 3.954,1172 3.854,1173 3.895,1174 3.925,1175 3.777,1176 6.999,1177 3.77,1178 3.832,1179 3.867,1180 3.788,1181 3.757,1182 6.351,1183 3.754,1184 3.67,1185 3.694,1186 3.746,1187 3.584,1188 4.935,1189 3.538,1190 3.582,1191 3.588,1192 3.515,1193 3.438,1194 4.903,1195 3.418,1196 3.451,1197 3.472,1198 3.379,1199 3.347,1200 4.794,1201 3.328,1202 3.171,1203 3.207,1204 3.159,1205 3.01,1206 4.579,1207 3.013,1208 0.113,1209 0.109,1210 0.17,1211 0.101,1212 0.079,1213 4.852,1214 0.109,1215 4.686,1216 0.054,1217 7.308,1218 0.291,1219 4.325,1220 0.077,1221 3.396,1222 4.7,1223 2.341,1224 12.509,1225 3.296,1226 2.076,1227 2.058,1228 2.167,1229 2.139,1230 1.491,1231 2.155,1232 1.953,1233 1.962,1234 1.995,1235 2.016,1236 1.24,1237 2.053,1238 1.849,1239 1.817,1240 1.967,1241 1.956,1242 1.136,1243 1.962,1244 1.834,1245 1.797,1246 1.948,1247 1.929,1248 1.095,1249 1.951,1250 1.62,1251 1.585,1252 1.821,1253 1.796,1254 1.04,1255 1.804,1256 1.489,1257 1.471,1258 1.662,1259 1.658,1260 0.826,1261 1.669,1262 1.373,1263 1.378,1264 1.452,1265 1.518,1266 0.756,1267 1.561,1268 1.13,1269 1.09,1270 1.351,1271 1.335,1272 0.578,1273 1.356,1274 4.466,1276 5.802,1278 7.335,1280 8.961,1282 10.641,1285 5.944,1289 9.547,1290 2.865,1291 2.882,1294 -0.278,1300 45.292,1301 109.486,1302 243.91,1303 328.173,1304 381.193,1305 383.947,1306 383.947,1307 93.78,1308 8.402,1309 96.36,1310 104.74,1311 30,1312 12.994,1313 4.807,1314 4,1315 60.957,1316 175,1317 213,1318 0.168,1319 282.147,1320 496.02,1321 680.199,1322 51420,1323 1.5,1324 27.407,1325 0.703,1326 0.587,1327 28.157,1328 22.881,1329 18.798,1330 0.437,1331 0.343,1332 12.974,1333 17.329,1334 12.527,1335 10.311,1336 19.907,1337 14.766,1338 17.599,1339 0.289,1340 0.197,1341 19.307,1342 11.99,1343 13.912,1344 0.176,1345 0.113,1346 15.305,1347 8.935,1348 11.828,1349 0.111,1350 0.064,1351 13.017,1352 6.82,1353 10.061,1354 0.069,1355 0.037,1356 11.17,1357 5.325,1358 0.26,1359 127.208,1360 0.187,1361 34.643,1362 0.478,1363 208,1364 588.398,1365 272.244,1366 627.311,1367 835.55,1368 578,1369 244,1370 552.464,1371 308.977,1372 610.584,1373 885.43,1374 574,1375 5} {0 CHEMBL291167,1 1.35,2 21.66,3 8.909,4 79.376,5 196.762,6 6.64,7 0.34,8 4.683,9 4.798,10 4.125,11 4.218,12 5.736,13 4.17,14 5.247,15 5.419,16 4.455,17 4.619,18 6.301,19 4.533,20 5.578,21 5.797,22 4.537,23 4.803,24 6.484,25 4.685,26 5.729,27 5.976,28 4.53,29 4.843,30 6.607,31 4.713,32 5.686,33 5.92,34 4.56,35 4.897,36 6.54,37 4.759,38 5.791,39 6.047,40 4.562,41 4.941,42 6.629,43 4.786,44 5.777,45 6.033,46 4.517,47 4.927,48 6.595,49 4.764,50 5.774,51 6.037,52 4.482,53 4.89,54 6.607,55 4.725,56 0.09,57 1.321,58 23.656,59 10.853,60 21.76,61 14.136,62 0.546,63 2.17,64 43.068,65 18.046,66 87.187,67 24.31,68 0.457,69 2.843,70 60.847,71 24.126,72 89.469,73 33.031,74 1.028,75 3.106,76 72.959,77 26.397,78 133.407,79 36.326,80 0.559,81 3.164,82 67.842,83 26.926,84 96.163,85 37.311,86 0.799,87 3.441,88 76.108,89 29.159,90 124.848,91 41.075,92 0.66,93 3.397,94 74.769,95 28.973,96 106.788,97 40.767,98 0.701,99 3.324,100 74.984,101 28.566,102 111.816,103 40.215,104 74,105 70,106 0.196,107 0.504,108 0.721,109 0.856,110 0.894,111 0.897,112 3.934,113 1.017,114 -6.07,115 -5.92,116 -5.51,118 40.8,119 2,120 12,121 1,122 1,124 1,126 1,127 1,133 3,134 1,140 10,141 4,142 1,143 2,154 2,163 2,167 2,168 32,169 2,171 1,172 9,175 2,177 4,180 36,181 2,186 13,191 4,194 34,195 2,198 11,201 1,203 4,206 34,207 2,210 11,215 3,218 39,219 2,222 11,225 1,227 4,229 39,230 2,234 9,239 6,242 40,243 2,247 6,248 2,252 4,255 36,256 4,258 2,259 9,260 1,262 2,264 6,267 30,268 4,270 6672,271 33.509,272 33.509,273 33.509,274 33.509,275 33.509,276 30.422,277 24.294,278 20.6,279 33.704,280 26.209,281 26.209,282 26.209,283 26.209,284 26.209,285 21.745,286 18.967,287 9.847,288 26.545,289 5.337,290 3.21,291 1.714,292 0.782,293 0.52,294 0.5,295 4.625,301 2265,302 5.831,306 839.925,313 3.101,314 53.725,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 107.5,326 1083,327 4.416,328 3.67,329 7.3,330 4.387,331 3.394,332 3.968,333 2.341,334 12.451,335 3.373,336 4.38,337 3.597,338 6.654,339 4.038,340 3.062,341 3.854,342 2.341,343 10.668,344 3.011,345 4.268,346 3.596,347 6.5,348 4.014,349 3.016,350 3.471,351 1.465,352 10.18,353 2.982,354 3.909,355 3.313,356 5.68,357 3.52,358 2.522,359 3.375,360 0.811,361 7.459,362 2.517,363 3.644,364 3.039,365 5.414,366 3.438,367 2.465,368 2.922,370 7.106,371 2.394,372 3.554,373 2.697,374 5.134,375 3.24,376 2.235,377 2.76,379 6.126,380 2.222,381 3.552,382 2.683,383 4.875,384 3.238,385 2.233,386 2.71,388 5.191,389 2.219,390 3.535,391 2.241,392 4.659,393 3.12,394 2.131,395 2.709,397 5.184,398 2.107,399 3.13,400 2.181,401 4.659,402 2.794,403 1.806,404 2.233,406 5.129,407 1.782,408 3.062,409 2.14,410 4.537,411 2.71,412 1.717,413 2.205,415 4.383,416 1.702,417 2.876,418 1.943,419 4.158,420 2.648,421 1.663,422 2.025,424 3.874,425 1.636,426 2.826,427 1.905,428 3.831,429 2.531,430 1.55,431 1.903,433 3.309,434 1.517,435 2.757,436 1.624,437 3.726,438 2.457,439 1.471,440 1.797,442 3.166,443 1.446,444 2.732,445 1.535,446 3.636,447 2.425,448 1.44,449 1.73,451 3.111,452 1.413,453 2.552,454 1.503,455 3.63,456 2.391,457 1.414,458 1.548,460 3.032,461 1.374,462 23.733,463 0.475,464 1.122,465 0.022,466 53.25,467 1.065,468 24,469 0.48,470 29.25,471 0.585,472 62.949,473 1.259,474 56.667,475 0.55,476 46.897,477 0.938,478 9.891,479 0.198,480 14.245,481 0.285,482 0.112,483 0.021,484 0.232,487 0.825,488 1.194,489 0.93,490 1.153,491 0.779,492 1.071,493 0.676,494 1.152,495 0.978,496 1.149,497 0.456,498 1.113,499 0.904,500 1.146,501 1.02,502 1.147,503 0.809,504 1.109,505 1.229,506 0.859,507 1.028,508 0.866,509 0.784,510 0.912,511 0.828,512 1.086,513 1.023,514 1.088,515 0.642,516 1.086,517 0.78,518 0.993,519 0.981,520 0.999,521 0.643,522 1.017,523 0.782,524 1.036,525 1.015,526 1.052,527 0.608,528 1.066,529 0.831,530 1,531 0.987,532 1.014,533 0.742,534 1.023,535 9,536 0.334,537 5.333,538 2.875,539 2.049,540 1.618,541 1.153,542 0.766,543 0.702,544 0.444,545 55041,546 142130,547 2.012,548 51.5,549 26,550 16,551 1,552 2,553 3,554 4,556 1,558 1.849,559 1.893,560 4.313,561 0.581,567 139.001,568 1.35,569 3.476,570 4.972,571 5.905,572 6.167,573 6.186,574 3.749,575 5.149,576 5.613,577 4.566,578 5593.21,579 9.964,580 128151,585 688.71,586 1.418,587 5.574,588 0.17,589 0.006,590 0.076,591 0.039,592 0.028,593 0.022,594 0.016,595 0.011,596 0.01,597 0.007,598 0.385,599 0.17,600 0.63,601 1.625,602 311.102,603 -0.047,604 0.01,605 0.02,606 0.03,607 -0.06,608 0.034,609 0.159,610 -0.037,611 -0.016,612 -0.048,613 0.182,614 -0.056,615 -0.038,616 -0.112,617 -0.052,618 -0.106,619 -0.046,620 -0.084,621 -0.097,622 0.11,623 -0.019,624 0.114,625 -0.043,626 0.066,627 -0.05,628 -0.063,629 -0.065,630 -0.056,631 -0.029,632 -0.063,633 -0.008,634 0.004,635 -0.021,636 0.002,637 -0.008,638 -0.009,639 -0.043,640 -0.038,641 -0.061,642 -0.046,643 -0.025,644 -0.054,645 -0.04,646 -0.024,647 -0.025,648 -0.02,649 -0.049,650 -0.021,651 2.478,652 4.671,653 0.48,654 91.235,655 0.994,656 1.124,657 4.844,658 23.461,659 0.641,660 3.989,661 4.263,662 4.454,663 4.654,664 4.875,665 4.942,666 5.069,667 5.136,668 5.176,669 5.159,670 12.375,671 0.599,672 683.96,673 3.989,674 5.509,675 6.323,676 7.174,677 8.013,678 8.875,679 9.728,680 10.597,681 11.459,682 12.333,683 1,693 1,699 12,700 1,704 5,706 18,721 1,724 103,726 22,727 2,728 53,730 106,731 42,733 17,734 4,735 8,736 2,739 4,740 4,745 2,746 1,748 1,749 1,751 13,753 23,754 19,755 1,756 4,761 2,763 3,765 3,772 53,773 8,774 3,775 8,779 1,784 1,785 7,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,836 2,840 50,845 3,846 13,848 2,850 3,852 1,862 6.8,864 3,865 2,866 2,869 26.417,870 18.217,871 11.264,872 6.554,874 2.782,875 1.33,876 0.905,877 15.747,878 11.209,879 4.205,880 4.677,881 5.092,882 5.547,883 6.027,884 6.125,885 6.456,886 6.707,887 6.897,888 7.056,889 1,890 73,891 18.623,893 7.778,894 7.782,895 35.952,897 29.473,899 2.282,900 114.083,904 588.555,905 212.05,906 16.786,908 200.34,911 212.05,912 788.895,913 16.786,914 17.65,915 35.007,916 123.551,917 242.487,918 34.023,919 11.771,920 553.242,922 588.555,923 228.836,924 200.34,927 576.784,928 190.111,929 22,930 0.36,931 70.752,932 112.51,933 45.214,935 588.555,936 217.125,937 212.05,940 588.915,941 52.754,942 158.936,944 217.125,945 588.555,946 217.125,947 212.05,949 0.566,950 0.309,951 0.159,952 0.088,953 26,954 13,955 0.189,956 20,958 1,959 5.859,960 490.248,962 24,963 276.193,968 39.026,969 20.175,970 12.819,972 217.125,973 23.696,974 4.304,978 4.45,980 128.05,981 1017.73,982 66,987 21.724,989 6.089,991 -0.439,994 102.367,995 115.759,996 0.202,997 0.52,998 0.744,999 0.883,1000 0.922,1001 0.925,1002 5.432,1003 2.131,1004 6.293,1005 5.191,1006 4.949,1007 5.366,1008 3.167,1009 7.072,1010 4.922,1011 6.594,1012 1.806,1013 7.836,1014 5.184,1015 4.511,1016 4.987,1017 2.882,1018 8.143,1019 4.479,1020 7.871,1021 1.717,1022 9.498,1023 5.129,1024 6.529,1025 7.372,1026 4.435,1027 11.19,1028 6.482,1029 9.181,1030 1.663,1031 11.24,1032 4.383,1033 6.967,1034 7.799,1035 4.797,1036 13.171,1037 6.916,1038 10.527,1039 1.55,1040 13.039,1041 3.874,1042 8.453,1043 9.68,1044 5.946,1045 15.801,1046 8.388,1047 11.897,1048 1.471,1049 14.877,1050 3.309,1051 9.3,1052 10.501,1053 6.581,1054 18.103,1055 9.23,1056 13.288,1057 1.44,1058 16.744,1059 3.166,1060 10.584,1061 12.152,1062 7.564,1063 20.622,1064 10.503,1065 3.394,1066 1.414,1067 18.632,1068 3.111,1069 11.62,1070 13.19,1071 8.318,1072 23.04,1073 11.534,1074 3.062,1075 12.451,1076 20.537,1077 3.032,1078 12.832,1079 14.718,1080 9.228,1081 25.533,1082 12.737,1083 3.016,1084 10.668,1085 22.454,1086 3.968,1087 13.953,1088 15.882,1089 10.035,1090 27.996,1091 13.852,1092 2.522,1093 10.18,1094 24.381,1095 3.854,1096 15.143,1097 17.34,1098 10.912,1099 30.487,1100 15.035,1101 2.465,1102 7.459,1103 26.316,1104 3.471,1105 16.303,1106 18.581,1107 11.744,1108 32.972,1109 16.189,1110 2.235,1111 7.106,1112 28.257,1113 3.375,1114 17.491,1115 19.998,1116 12.606,1117 35.468,1118 17.371,1119 2.233,1120 6.126,1121 30.204,1122 2.922,1123 18.671,1124 21.286,1125 13.448,1126 37.964,1127 18.545,1128 53528,1129 86201,1130 34.959,1131 65.984,1132 77.912,1133 78.91,1134 78.598,1135 76.778,1136 76.729,1137 94.157,1138 13.916,1139 209.057,1140 75.576,1141 5.416,1142 5.67,1143 7.102,1144 5.46,1145 5.394,1146 6.968,1147 3.925,1148 19.756,1149 5.373,1150 28.189,1151 1.47,1152 1.489,1153 1.483,1154 1.449,1155 1.448,1156 1.777,1157 0.263,1158 3.944,1159 1.426,1160 4.044,1161 4.073,1162 3.976,1163 3.977,1164 7.477,1165 3.972,1166 3.969,1167 3.991,1168 3.907,1169 3.887,1170 7.472,1171 3.888,1172 3.841,1173 3.884,1174 3.757,1175 3.751,1176 6.469,1177 3.746,1178 3.807,1179 3.843,1180 3.719,1181 3.712,1182 6.352,1183 3.706,1184 3.752,1185 3.797,1186 3.634,1187 3.648,1188 6.35,1189 3.636,1190 3.725,1191 3.774,1192 3.599,1193 3.588,1194 4.926,1195 3.579,1196 3.63,1197 3.671,1198 3.508,1199 3.475,1200 4.819,1201 3.473,1202 3.539,1203 3.593,1204 3.411,1205 3.406,1206 4.717,1207 3.397,1208 0.083,1209 0.069,1210 0.138,1211 0.083,1212 0.064,1213 4.416,1214 0.075,1215 3.67,1216 0.044,1217 7.3,1218 0.235,1219 4.387,1220 0.064,1221 3.394,1222 3.968,1223 2.341,1224 12.451,1225 3.373,1226 1.993,1227 1.969,1228 2.11,1229 2.072,1230 1.432,1231 2.083,1232 1.939,1233 1.917,1234 2.072,1235 2.06,1236 1.36,1237 2.064,1238 1.845,1239 1.804,1240 2.029,1241 1.968,1242 1.327,1243 1.991,1244 1.798,1245 1.762,1246 1.971,1247 1.919,1248 1.251,1249 1.935,1250 1.758,1251 1.714,1252 1.948,1253 1.895,1254 1.142,1255 1.914,1256 1.718,1257 1.666,1258 1.918,1259 1.886,1260 1.114,1261 1.901,1262 1.605,1263 1.558,1264 1.831,1265 1.788,1266 1.014,1267 1.8,1268 1.544,1269 1.49,1270 1.785,1271 1.716,1272 0.969,1273 1.743,1274 4.673,1276 5.958,1278 7.43,1280 8.993,1282 10.61,1284 4.369,1289 28.526,1290 9.396,1292 12.932,1294 -0.736,1296 -0.227,1300 61.722,1301 139.001,1302 358.078,1303 512.167,1304 608.18,1305 635.2,1306 637.2,1307 161.202,1308 8.427,1309 126.18,1310 126.18,1311 24,1312 12.877,1313 4.524,1314 3.807,1315 105.148,1316 381,1317 364,1318 0.131,1319 380.787,1320 691.23,1321 920.88,1322 69254,1324 35.771,1325 0.715,1326 0.59,1327 35.771,1328 29.507,1329 24.136,1330 0.455,1331 0.339,1332 17.814,1333 23.469,1334 17.347,1335 14.451,1336 24.136,1337 17.972,1338 21.354,1339 0.305,1340 0.199,1341 21.354,1342 13.926,1343 16.242,1344 0.191,1345 0.11,1346 16.242,1347 9.389,1348 12.805,1349 0.123,1350 0.062,1351 12.805,1352 6.481,1353 10.318,1354 0.079,1355 0.035,1356 10.318,1357 4.557,1358 0.217,1359 149.927,1360 0.169,1361 44.258,1362 0.329,1363 246,1364 679.036,1365 266.319,1366 649.17,1367 858.52,1368 604,1369 278,1370 595.476,1371 296.442,1372 604.376,1373 873.77,1374 567,1375 8} {0 CHEMBL291338,1 1.875,2 8.1,3 5.005,4 25.049,5 80.226,6 13,7 0.571,8 3.437,9 3.486,10 3.448,11 3.154,12 4.776,13 3.136,14 3.858,15 3.911,16 3.907,17 3.537,18 5.28,19 3.5,20 4.149,21 4.229,22 4.156,23 3.65,24 5.663,25 3.593,26 4.086,27 4.197,28 3.991,29 3.439,30 5.687,31 3.386,32 3.907,33 4.019,34 3.776,35 3.186,36 5.585,37 3.181,38 3.675,39 3.761,40 3.491,41 3.175,42 5.172,43 3.111,44 3.63,45 3.725,46 3.622,47 3.183,48 5.122,49 3.106,50 3.597,51 3.701,52 3.584,53 3.105,54 5.035,55 2.967,56 0.199,57 0.302,58 1.505,59 1.562,60 20.616,61 1.463,62 0.307,63 0.449,64 2.509,65 2.484,66 29.127,67 2.642,68 0.623,69 0.566,70 17.482,71 4.526,72 63.814,73 4.111,74 0.699,75 0.548,76 18.351,77 4.841,78 82.44,79 4.332,80 0.668,81 0.438,82 14.581,83 4.326,84 83.133,85 3.665,86 0.414,87 0.334,88 10.998,89 3.02,90 49.645,91 2.75,92 0.358,93 0.321,94 6.036,95 2.838,96 41.274,97 2.964,98 0.419,99 0.266,100 15.059,101 3.319,102 44.654,103 3.366,104 37,105 30,106 0.366,107 0.644,108 0.771,109 0.913,110 0.927,111 0.927,112 3.058,113 0.977,114 -5.57,115 -5.44,116 -5.08,118 48.1,140 5,141 1,142 6,154 1,168 2,172 1,175 1,177 4,180 7,186 1,191 5,194 8,198 2,201 1,202 1,203 1,206 5,210 4,215 5,218 3,222 1,227 2,229 2,234 1,239 1,242 8,252 1,255 4,264 1,267 3,270 472,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.921,277 13.81,278 7.248,279 13.266,280 10.286,281 10.286,282 10.286,283 10.286,284 10.286,285 7.639,286 15.999,287 3.422,288 11.41,289 2.88,290 1.453,291 0.8,292 0.074,295 3.705,297 4,299 1,300 1,301 331,302 2.739,306 138.301,313 1.21,314 31.303,317 0.75,318 1,319 1,320 0.4,322 1,323 1,324 0.74,325 43.833,326 162,327 4.459,328 3.639,329 6.577,330 4.056,331 3.095,332 4.143,333 1.058,334 10.266,335 2.972,336 4.214,337 3.312,338 5.956,339 3.73,340 2.827,341 3.87,343 8.355,344 2.536,345 3.744,346 3.19,347 5.568,348 3.328,349 2.411,350 3.072,352 7.134,353 2.125,354 3.445,355 2.732,356 5.16,357 2.985,358 2.091,359 2.762,361 6.135,362 1.795,363 3.392,364 2.404,365 4.971,366 2.915,367 2.03,368 2.686,370 5.726,371 1.68,372 2.82,373 2.129,374 4.233,375 2.307,376 1.414,377 1.949,379 3.571,380 1.203,381 2.753,382 2.079,383 4.037,384 2.245,385 1.287,386 1.77,388 3.463,389 1.172,390 1.564,391 1.079,392 3.072,393 1.175,394 0.366,395 0.417,397 0.865,398 0.259,399 1.504,400 0.849,401 2.725,402 1.019,403 0.194,404 0.239,406 0.429,407 0.13,408 0.96,409 0.417,410 2.547,411 0.499,412 -0.344,413 -0.421,415 -0.893,416 -0.253,417 0.912,418 0.264,419 2.374,420 0.404,421 -0.481,422 -0.605,424 -1.198,425 -0.296,426 0.627,427 -0.092,428 2.101,429 0.138,430 -0.776,431 -0.94,433 -2.008,434 -0.531,435 0.373,436 -0.279,437 1.617,438 -0.1,439 -0.831,440 -1.094,442 -2.024,443 -0.638,445 -0.744,446 1.521,447 -0.452,448 -1.306,449 -1.624,451 -3.283,452 -1.041,453 -0.161,454 -0.985,455 1.282,456 -0.58,457 -1.366,458 -1.71,460 -3.699,461 -1.095,462 10.424,463 0.521,464 0.706,465 0.035,466 27,467 1.35,468 14.5,469 0.725,470 12.5,471 0.625,472 15.03,473 0.751,474 20.776,475 0.769,476 18.5,477 0.925,478 5.376,479 0.269,480 4.004,481 0.2,482 0.338,484 0.384,487 0.758,488 0.941,489 0.492,490 0.516,491 0.761,492 0.558,493 0.672,494 1.218,495 0.597,496 0.738,497 0.635,498 0.789,499 1.064,500 1.242,501 1.012,502 1.116,503 1.013,504 1.103,505 1.118,506 1.123,507 0.925,508 0.999,509 1.225,510 1.054,511 1.011,512 0.81,513 0.876,514 1.099,515 1.408,516 0.957,517 1.118,518 0.836,519 1.104,520 1.097,521 1.229,522 1.118,523 0.859,524 0.985,525 0.756,526 0.803,527 0.8,528 0.892,529 1.202,530 0.915,531 1.601,532 1.244,533 0.92,534 1.237,535 5.5,536 0.012,537 2.889,538 1.813,539 1.538,540 0.493,541 0.407,542 0.283,543 0.222,544 0.117,545 3369,546 18074,547 1.911,548 25.9,550 5,553 2,558 1.618,559 1.714,560 3.032,561 0.459,567 50.625,568 1.875,569 3.302,570 3.955,571 4.681,572 4.755,573 4.755,574 2.441,575 4.122,576 4.298,577 3.159,578 600.208,579 7.343,580 6138.82,582 1,585 128.382,586 1.571,587 4.201,588 0.262,589 0.004,590 0.096,591 0.058,592 0.062,593 0.023,594 0.023,595 0.016,596 0.016,597 0.013,598 0.573,599 0.67,600 0.88,601 0.737,602 88.189,603 -0.126,604 0.114,605 -0.023,606 0.128,607 -0.15,608 0.091,609 -0.001,610 -0.208,611 -0.004,612 -0.039,613 0.007,614 -0.077,615 -0.137,616 -0.247,617 -0.109,618 -0.211,619 -0.096,620 -0.213,621 -0.049,622 -0.072,623 -0.012,624 0.024,625 -0.03,626 -0.042,627 0.138,628 0.241,629 0.022,630 -0.046,631 0.03,632 0.086,633 -0.172,634 0.094,635 -0.235,636 -0.159,637 -0.168,638 -0.169,639 0.026,640 -0.086,641 0.105,642 0.152,643 0.06,644 0.12,645 -0.17,646 -0.092,647 -0.263,648 -0.115,649 -0.107,650 -0.078,651 2.231,652 5.071,653 0.6,654 12.6,655 1.054,656 1.103,657 4.336,658 18.799,659 0.82,660 3.091,661 3.434,662 3.638,663 3.807,664 3.97,665 3.85,666 3.807,667 3.738,668 3.784,669 3.738,670 5.026,671 0.792,672 351.01,673 3.091,674 4.635,675 5.468,676 6.34,677 7.191,678 8.061,679 8.918,680 9.787,681 10.647,682 11.515,683 3.7,690 1,699 5,704 7,706 12,712 1,721 1,723 4,724 27,726 13,727 2,728 21,730 28,731 13,733 12,734 7,735 5,736 1,739 2,740 2,741 4,753 13,756 1,761 1,765 1,772 7,773 3,774 2,775 7,776 4,779 1,784 1,785 2,802 2,832 2,837 4,840 20,845 1,847 1,861 4,862 7.4,864 1,865 1,869 11.667,870 4.855,871 4.361,872 1.387,874 2.198,875 1.354,876 0.947,877 4.906,878 8.409,879 3.367,880 4.007,881 4.527,882 5.027,883 5.512,884 5.499,885 5.593,886 5.689,887 5.975,888 6.292,889 1,890 31,891 7.333,893 3.17,894 8.264,895 13.124,897 10.399,899 2.764,900 55.278,904 58.856,905 72.031,906 18.011,907 156.595,908 67.828,911 72.031,912 283.278,913 18.011,915 18.011,916 47.381,917 72.533,918 19.945,920 58.856,921 156.595,922 58.856,923 90.041,924 67.828,925 156.595,927 58.856,928 67.828,931 18.011,932 72.031,933 156.595,935 58.856,936 85.839,937 228.625,940 58.856,941 24.649,942 47.381,943 18.011,944 224.423,945 58.856,946 85.839,947 228.625,949 0.598,950 0.348,951 0.169,952 0.091,953 14,954 8,955 0.071,956 2,958 1,959 3.087,960 144.203,962 12,963 86.439,968 15.568,969 6.303,970 3.649,972 85.839,973 7.272,978 0.974,980 60.694,981 373.32,982 28,987 12.071,991 -0.565,994 28.469,995 29.769,996 0.394,997 0.695,998 0.832,999 0.984,1000 1,1001 1,1002 4.605,1003 0.366,1004 5.493,1005 3.463,1006 4.111,1007 4.691,1008 1.176,1009 6.301,1010 3.916,1011 5.854,1012 0.194,1013 7.071,1014 0.865,1015 3.892,1016 4.677,1018 7.191,1019 3.505,1020 7.182,1021 -0.344,1022 8.742,1023 0.429,1024 5.72,1025 6.916,1026 1.255,1027 10.255,1028 5.404,1029 8.541,1030 -0.481,1031 10.462,1032 -0.893,1033 6.217,1034 7.605,1036 11.891,1037 5.738,1038 9.922,1039 -0.776,1040 12.212,1041 -1.198,1042 7.597,1043 9.399,1044 1.338,1045 14.512,1046 7.177,1047 11.321,1048 -0.831,1049 13.984,1050 -2.008,1051 8.417,1052 10.422,1054 16.496,1055 7.881,1056 12.734,1057 -1.306,1058 15.772,1059 -2.024,1060 9.628,1061 12.024,1062 1.422,1063 18.943,1064 9.117,1065 3.095,1066 -1.366,1067 17.573,1068 -3.283,1069 10.599,1070 13.221,1072 21.099,1073 10.009,1074 2.827,1075 10.266,1076 19.384,1077 -3.699,1078 11.743,1079 14.729,1080 1.51,1081 23.472,1082 11.154,1083 2.411,1084 8.355,1085 21.205,1086 4.143,1087 12.787,1088 16.02,1090 25.714,1091 12.141,1092 2.091,1093 7.134,1094 23.033,1095 3.87,1096 13.907,1097 17.48,1098 1.599,1099 28.057,1100 13.246,1101 2.03,1102 6.135,1103 24.868,1104 3.072,1105 14.986,1106 18.822,1108 30.34,1109 14.28,1110 1.414,1111 5.726,1112 26.709,1113 2.762,1114 16.099,1115 20.256,1116 1.69,1117 32.672,1118 15.37,1119 1.287,1120 3.571,1121 28.555,1122 2.686,1123 17.195,1124 21.628,1126 34.977,1127 16.428,1128 3482,1129 8147,1130 12.948,1131 22.153,1132 31.793,1133 33.998,1134 33.434,1135 31.75,1136 31.431,1137 41.813,1138 2.117,1139 91.888,1140 27.743,1141 5.29,1142 5.639,1143 5.887,1144 5.066,1145 5.095,1146 7.143,1147 2.117,1148 17.381,1149 4.972,1150 13.049,1151 1.514,1152 1.619,1153 1.592,1154 1.512,1155 1.497,1156 1.991,1157 0.101,1158 4.376,1159 1.321,1160 3.971,1161 3.984,1162 4.133,1163 3.905,1164 7.429,1165 3.903,1166 3.866,1167 3.875,1168 4.083,1169 3.826,1170 6.468,1171 3.816,1172 3.328,1173 3.347,1174 3.588,1175 3.132,1176 5.045,1177 3.159,1178 2.973,1179 2.968,1180 3.509,1181 2.855,1182 4.951,1183 2.84,1184 2.884,1185 2.922,1186 3.399,1187 2.812,1188 4.611,1189 2.789,1190 2.864,1191 2.891,1192 3.207,1193 2.77,1194 4.491,1195 2.75,1196 2.592,1197 2.615,1198 2.801,1199 2.321,1200 4.33,1201 2.354,1202 2.153,1203 2.211,1204 2.477,1205 1.737,1206 3.913,1207 1.747,1208 0.212,1209 0.173,1210 0.313,1211 0.193,1212 0.147,1213 4.459,1214 0.197,1215 3.639,1216 0.05,1217 6.577,1218 0.489,1219 4.056,1220 0.142,1221 3.095,1222 4.143,1223 1.058,1224 10.266,1225 2.972,1226 1.908,1227 1.896,1228 1.951,1229 2,1230 1.081,1231 1.995,1232 1.841,1233 1.83,1234 1.878,1235 1.901,1236 1.029,1237 1.911,1238 1.194,1239 1.175,1240 1.274,1241 1.429,1242 0.291,1243 1.394,1244 0.869,1245 0.846,1246 1.094,1247 1.094,1248 0.167,1249 1.064,1250 0.847,1251 0.824,1252 0.964,1253 1.018,1254 0.068,1255 1.055,1256 0.812,1257 0.791,1258 0.919,1259 0.942,1261 0.969,1262 0.462,1263 0.428,1264 0.699,1265 0.749,1267 0.753,1270 0.407,1271 0.415,1273 0.434,1274 3.761,1276 5.094,1278 6.613,1280 8.22,1282 9.87,1285 23.192,1289 9.771,1291 2.562,1300 21.395,1301 50.625,1302 89.163,1303 106.772,1304 126.382,1305 128.382,1306 128.382,1307 49.591,1308 6.211,1309 49.33,1310 49.33,1311 12,1312 12.061,1313 3.807,1314 3,1315 36.41,1316 60,1317 56,1318 0.304,1319 148.311,1320 257.88,1321 353.638,1322 3261,1323 14.8,1324 14.861,1325 0.743,1326 0.639,1327 16.861,1328 12.778,1329 9.38,1330 0.447,1331 0.326,1332 5.4,1333 8.02,1334 5.161,1335 4.217,1336 10.535,1337 6.838,1338 8.923,1339 0.297,1340 0.184,1341 10.444,1342 5.525,1343 7.164,1344 0.194,1345 0.1,1346 8.695,1347 3.696,1348 5.371,1349 0.122,1350 0.052,1351 6.478,1352 2.303,1353 4.122,1354 0.079,1355 0.027,1356 5.004,1357 1.407,1358 0.467,1359 70.544,1360 0.278,1361 19.737,1362 0.861,1363 102,1364 381.032,1365 170.449,1366 488.536,1367 606.73,1368 446,1369 118,1370 337.371,1371 173.664,1372 381.348,1373 556.42,1374 357,1375 5.307} {0 CHEMBL291539,1 1.488,2 15.824,3 4.878,4 23.79,5 130.61,6 7.102,7 0.472,8 4.238,9 4.355,10 3.745,11 3.772,12 5.354,13 3.741,14 4.761,15 4.937,16 4.039,17 4.132,18 5.886,19 4.064,20 5.02,21 5.257,22 4.051,23 4.237,24 6.017,25 4.135,26 5.026,27 5.253,28 4.063,29 4.233,30 6.063,31 4.14,32 5.019,33 5.242,34 4.03,35 4.262,36 6,37 4.158,38 5.044,39 5.277,40 4.005,41 4.248,42 6.046,43 4.137,44 4.988,45 5.22,46 3.964,47 4.176,48 6.001,49 4.073,50 4.918,51 5.138,52 3.942,53 4.112,54 5.942,55 4.023,56 0.029,57 0.889,58 13.779,59 6.206,60 11.421,61 8.118,62 0.307,63 1.402,64 25.098,65 10.099,66 49.9,67 13.871,68 0.358,69 1.678,70 34.685,71 12.94,72 64.92,73 18.167,74 0.508,75 1.675,76 35.137,77 12.545,78 73.004,79 17.515,80 0.332,81 1.697,82 34.287,83 12.814,84 59.055,85 17.815,86 0.341,87 1.722,88 35.483,89 12.897,90 64.981,91 18.135,92 0.329,93 1.613,94 33.699,95 12.052,96 61.432,97 16.884,98 0.303,99 1.504,100 31.26,101 11.122,102 52.93,103 15.404,104 41,105 46,106 0.236,107 0.581,108 0.763,109 0.858,110 0.886,111 0.886,112 3.56,113 0.979,114 -4.5,115 -4.43,116 -4.17,118 41.5,119 1,120 7,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 18,169 1,171 1,172 5,175 2,177 2,180 19,181 1,185 1,186 7,189 1,191 2,194 18,195 1,197 1,198 8,201 1,203 2,206 16,207 1,210 9,215 3,218 15,219 1,222 11,227 3,229 12,230 1,234 12,239 3,242 9,243 2,247 10,252 3,255 7,256 3,258 2,259 9,260 1,264 4,267 6,268 3,270 2442,271 23.233,272 23.233,273 23.233,274 23.233,275 23.233,276 20.77,277 11.506,278 14.54,279 23.395,280 17.779,281 17.779,282 17.779,283 17.779,284 17.779,285 14.041,286 7.585,287 6.923,288 18.013,289 4.534,290 2.366,291 1.217,292 0.621,293 0.442,294 0.442,295 4.245,300 1,301 1111,302 4.637,305 117.182,306 267.951,313 2.491,314 34.142,317 1,318 0.67,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.76,325 73.5,326 538,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,352 8.178,353 2.59,354 3.639,355 2.829,356 5.239,357 3.24,358 2.235,359 3.06,361 6.368,362 2.222,363 3.55,364 2.263,365 4.659,366 3.197,367 2.209,368 2.71,370 5.184,371 2.18,372 3.269,373 2.037,374 4.542,375 2.834,376 1.855,377 2.531,379 4.678,380 1.813,381 2.998,382 1.897,383 4.17,384 2.723,385 1.729,386 2.144,388 3.871,389 1.717,390 2.757,391 1.832,392 3.957,393 2.593,394 1.593,395 1.8,397 3.432,398 1.588,399 2.739,400 1.533,401 3.636,402 2.43,403 1.452,404 1.746,406 3.115,407 1.416,408 2.5,409 1.307,410 3.608,411 2.134,412 1.161,413 1.5,415 2.763,416 1.127,417 2.5,418 1.296,419 3.414,420 2.015,421 1.02,422 1.5,424 2.332,425 1.011,426 2.489,427 1.171,428 3.39,429 2,430 1,431 1.451,433 2.275,434 1,435 2.375,436 1,437 3.268,438 1.956,439 1,440 1.281,442 2.136,443 0.953,444 2.167,445 1,446 3.247,447 1.822,448 0.816,449 1.032,451 1.717,452 0.816,453 2.021,454 0.754,455 2.918,456 1.618,457 0.652,458 0.894,460 1.457,461 0.627,462 16.033,463 0.472,464 0.592,465 0.017,466 41.25,467 1.213,468 20.5,469 0.603,470 20.75,471 0.61,472 30.419,473 0.895,474 37.367,475 0.575,476 33.003,477 0.971,478 7.932,479 0.233,480 8.648,481 0.254,482 0.094,484 0.249,487 0.77,488 1.273,489 0.846,490 1.131,491 0.651,492 1.02,493 0.588,494 1.172,495 0.914,496 1.126,497 0.457,498 1.079,499 0.762,500 0.947,501 0.855,502 0.939,503 0.799,504 0.918,505 0.941,506 0.946,507 0.948,508 0.918,509 0.939,510 0.93,511 0.938,512 1.018,513 1.015,514 1.003,515 0.881,516 1.017,517 0.935,518 1.032,519 1.023,520 1.019,521 0.889,522 1.029,523 1.008,524 1.043,525 1.013,526 1.018,527 0.961,528 1.013,529 1.108,530 1.084,531 1.028,532 1.047,533 0.986,534 1.026,535 5,536 0.221,537 3.333,538 1.563,539 1.153,540 0.837,541 0.585,542 0.392,543 0.366,544 0.3,545 17617,546 47419,547 2.028,548 47.7,549 13,550 9,551 1,552 2,553 2,554 2,555 2,558 1.759,559 1.925,560 3.885,561 0.147,567 96.737,568 1.488,569 3.656,570 4.806,571 5.401,572 5.58,573 5.58,574 3.414,575 4.712,576 5.047,577 4.087,578 2292.56,579 8.855,580 37606.1,585 391.454,586 1.261,587 5.03,588 0.139,589 0.006,590 0.072,591 0.034,592 0.025,593 0.019,594 0.014,595 0.01,596 0.009,597 0.008,598 0.335,599 0.17,600 0.75,601 1.955,602 186.76,603 -0.045,604 -0.082,605 0.026,606 -0.015,607 -0.031,608 0.011,609 0.179,610 -0.066,611 0.001,612 -0.074,613 0.178,614 -0.068,615 0.038,616 0.049,617 0.104,618 0.066,619 0.02,620 0.089,621 0.024,622 0.06,623 0.029,624 0.075,625 -0.034,626 0.056,627 -0.1,628 0.001,629 -0.062,630 0.009,631 -0.106,632 -0.015,633 -0.09,634 -0.02,635 -0.062,636 -0.023,637 -0.068,638 -0.034,639 -0.091,640 -0.037,641 -0.041,642 -0.027,643 -0.072,644 -0.024,645 -0.105,646 -0.071,647 -0.05,648 -0.056,649 -0.097,650 -0.044,651 2.435,652 5.257,653 0.5,654 50.509,655 1,656 1.125,657 3.273,658 10.712,659 0.654,660 3.611,661 3.85,662 4.06,663 4.263,664 4.431,665 4.522,666 4.654,667 4.762,668 4.875,669 4.949,670 8.872,671 0.62,672 461.61,673 3.611,674 5.106,675 5.916,676 6.753,677 7.589,678 8.44,679 9.289,680 10.148,681 11.007,682 11.871,683 4.6,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 65,726 20,727 1,728 36,730 67,731 27,733 14,734 2,735 4,736 3,739 3,740 3,745 1,751 7,753 18,754 9,756 3,761 2,763 1,765 3,772 31,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 2,818 1,822 1,823 1,830 1,832 3,836 1,840 34,845 1,846 8,847 1,862 6.2,864 1,865 2,867 1,869 17.667,870 11.683,871 7.861,872 4.304,874 3.011,875 1.4,876 0.938,877 10.057,878 10.531,879 3.882,880 4.385,881 4.912,882 5.445,883 5.906,884 6.21,885 6.632,886 6.998,887 7.386,888 7.732,889 0.909,890 46,891 12.577,893 5.162,894 7.833,895 23.993,897 18.98,899 2.333,900 79.333,904 341.362,905 150.974,906 51.582,908 102.481,911 150.974,912 443.843,913 51.582,914 8.825,915 37.858,916 78.073,917 160.721,918 43.101,919 11.771,920 306.049,922 341.362,923 202.556,924 102.481,927 317.82,928 126.023,931 72.555,932 86.954,933 43.047,935 341.362,936 154.062,937 150.974,940 341.362,941 45.981,942 104.993,943 18.011,944 136.052,945 341.362,946 154.062,947 150.974,949 0.554,950 0.306,951 0.16,952 0.085,953 17,954 8,955 0.194,956 13,958 1,959 4.622,960 287.896,962 17,963 168.974,968 25.39,969 13.468,970 7.948,972 154.062,973 16.634,974 8.578,976 5.551,978 3.446,980 60.694,981 646.399,982 47.5,987 22.996,989 2.125,991 0.04,994 64.985,995 73.145,996 0.247,997 0.607,998 0.798,999 0.897,1000 0.927,1001 0.927,1002 5.07,1003 1.593,1004 5.849,1005 3.871,1006 4.533,1007 5.072,1008 2.468,1009 6.581,1010 4.508,1011 6.233,1012 1.452,1013 7.354,1014 3.432,1015 3.892,1016 4.649,1017 2.243,1018 7.368,1019 3.872,1020 7.502,1021 1.161,1022 8.968,1023 3.115,1024 6.033,1025 7.162,1026 3.693,1027 10.462,1028 5.988,1029 8.812,1030 1.02,1031 10.651,1032 2.763,1033 6.293,1034 7.636,1035 4.112,1036 12.158,1037 6.251,1038 10.158,1039 1,1040 12.38,1041 2.332,1042 7.831,1043 9.554,1044 5.217,1045 14.732,1046 7.767,1047 11.531,1048 1,1049 14.142,1050 2.275,1051 8.52,1052 10.451,1053 5.889,1054 16.774,1055 8.455,1056 12.923,1057 0.816,1058 15.926,1059 2.136,1060 9.801,1061 12.105,1062 6.852,1063 19.171,1064 9.72,1065 3.042,1066 0.652,1067 17.726,1068 1.717,1069 10.701,1070 13.222,1071 7.625,1072 21.356,1073 10.615,1074 2.941,1075 10.188,1076 19.537,1077 1.457,1078 11.871,1079 14.745,1080 8.526,1081 23.688,1082 11.771,1083 2.6,1084 9.413,1085 21.358,1086 4.063,1087 12.872,1088 15.98,1089 9.342,1090 25.934,1091 12.766,1092 2.235,1093 8.178,1094 23.184,1095 3.89,1096 13.995,1097 17.436,1098 10.216,1099 28.244,1100 13.878,1101 2.209,1102 6.368,1103 25.016,1104 3.449,1105 15.045,1106 18.737,1107 11.051,1108 30.519,1109 14.92,1110 1.855,1111 5.184,1112 26.852,1113 3.06,1114 16.15,1115 20.159,1116 11.912,1117 32.821,1118 16.015,1119 1.729,1120 4.678,1121 28.691,1122 2.71,1123 17.224,1124 21.497,1125 12.755,1126 35.111,1127 17.081,1128 17517,1129 28919,1130 24.038,1131 42.495,1132 52.456,1133 53.548,1134 53.314,1135 51.674,1136 51.677,1137 67.33,1138 6.798,1139 136.564,1140 51.005,1141 5.315,1142 5.596,1143 6.439,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 16.829,1151 1.457,1152 1.487,1153 1.481,1154 1.435,1155 1.435,1156 1.87,1157 0.189,1158 3.793,1159 1.417,1160 4.043,1161 4.065,1162 4.002,1163 3.968,1164 7.474,1165 3.969,1166 3.89,1167 3.918,1168 3.849,1169 3.757,1170 7.429,1171 3.772,1172 3.762,1173 3.818,1174 3.682,1175 3.623,1176 6.351,1177 3.631,1178 3.729,1179 3.778,1180 3.603,1181 3.59,1182 5.149,1183 3.582,1184 3.678,1185 3.722,1186 3.536,1187 3.529,1188 4.915,1189 3.529,1190 3.462,1191 3.505,1192 3.36,1193 3.298,1194 4.661,1195 3.304,1196 3.391,1197 3.459,1198 3.248,1199 3.17,1200 4.245,1201 3.169,1202 3.153,1203 3.19,1204 3.032,1205 2.978,1206 4.22,1207 2.987,1208 0.123,1209 0.1,1210 0.181,1211 0.112,1212 0.085,1213 4.411,1214 0.113,1215 3.596,1216 0.065,1217 6.502,1218 0.283,1219 4.036,1220 0.084,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.799,1233 1.767,1234 2.004,1235 1.933,1236 1.315,1237 1.956,1238 1.744,1239 1.679,1240 1.955,1241 1.91,1242 1.163,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 0.964,1249 1.899,1250 1.523,1251 1.486,1252 1.733,1253 1.749,1254 0.922,1255 1.74,1256 1.431,1257 1.396,1258 1.644,1259 1.632,1260 0.835,1261 1.628,1262 1.309,1263 1.236,1264 1.525,1265 1.532,1266 0.562,1267 1.542,1268 1.184,1269 1.162,1270 1.342,1271 1.442,1272 0.481,1273 1.395,1274 4.29,1276 5.549,1277 2.398,1278 6.991,1279 4.595,1280 8.522,1281 6.605,1282 10.106,1284 2.12,1289 8.829,1290 6.147,1291 2.868,1300 40.299,1301 96.737,1302 237.65,1303 312.36,1304 351.089,1305 362.699,1306 362.699,1307 80.851,1308 7.52,1309 105.32,1310 105.32,1311 17,1312 12.42,1313 4.392,1314 3.644,1315 67.486,1316 178,1317 220,1318 0.182,1319 251.75,1320 445,1321 606.03,1322 19213,1324 24.175,1325 0.711,1326 0.573,1327 24.175,1328 19.497,1329 16.58,1330 0.461,1331 0.326,1332 11.625,1333 16.038,1334 11.38,1335 9.541,1336 16.58,1337 11.75,1338 13.928,1339 0.303,1340 0.176,1341 13.928,1342 8.077,1343 10.994,1344 0.193,1345 0.095,1346 10.994,1347 5.411,1348 8.699,1349 0.124,1350 0.051,1351 8.699,1352 3.562,1353 6.656,1354 0.08,1355 0.027,1356 6.656,1357 2.273,1358 0.294,1359 103.481,1360 0.204,1361 32.283,1362 0.473,1363 164,1364 502.979,1365 179.458,1366 483.117,1367 647.24,1368 450,1369 185,1370 463.286,1371 199.272,1372 467.516,1373 675.91,1374 440,1375 7.506} {0 CHEMBL291700,1 1.434,2 6.688,3 2.639,4 6.962,5 69.049,6 7.262,7 0.556,8 3.556,9 3.679,10 3.199,11 3.199,12 4.462,13 3.108,14 4.136,15 4.323,16 3.524,17 3.635,18 4.932,19 3.5,20 4.377,21 4.626,22 3.334,23 3.7,24 5.002,25 3.493,26 4.387,27 4.646,28 3.238,29 3.651,30 5.021,31 3.42,32 4.31,33 4.604,34 2.97,35 3.447,36 4.913,37 3.196,38 4.04,39 4.336,40 2.955,41 3.194,42 4.719,43 3.014,44 3.782,45 4.041,46 2.931,47 3.093,48 4.612,49 2.924,50 3.559,51 3.819,52 2.585,53 2.782,54 4.363,55 2.533,56 0.032,57 0.475,58 7.756,59 3.309,60 5.646,61 4.42,62 0.124,63 0.826,64 15.625,65 5.998,66 9.475,67 7.899,68 0.111,69 0.956,70 21.516,71 8.401,72 9.727,73 10.942,74 0.11,75 0.954,76 21.914,77 8.487,78 11.258,79 11.045,80 0.125,81 0.867,82 21.63,83 7.733,84 12.026,85 9.982,86 0.117,87 0.676,88 16.08,89 5.281,90 10.108,91 7.162,92 0.081,93 0.538,94 11.13,95 4.007,96 10.075,97 5.408,98 0.079,99 0.438,100 11.223,101 3.526,102 9.162,103 4.429,105 24,106 0.271,107 0.624,108 0.831,109 0.887,110 0.887,111 0.887,112 2.853,113 1.139,114 -4.07,115 -4.02,116 -3.8,118 40.6,120 4,121 1,124 1,140 1,141 1,143 1,149 2,150 1,156 1,168 6,171 1,172 1,180 10,186 1,194 8,198 3,206 4,210 3,222 4,234 2,247 2,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 10.057,277 11.664,278 6.856,279 11.663,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 7.122,286 7.968,287 3.252,288 9.516,289 3.566,290 1.701,291 0.61,292 0.313,293 0.313,294 0.313,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 4.001,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 107,327 4.328,328 3.275,329 6.512,330 4.017,331 3.047,332 3.907,334 10.216,335 2.957,336 3.92,337 2.648,338 5.374,339 3.455,340 2.541,341 3.478,343 7.037,344 2.323,345 3.254,346 2.275,347 5.172,348 3.022,349 2.087,350 2.348,352 6.181,353 1.934,354 2.756,355 1.655,356 4.128,357 2.539,358 1.548,359 1.817,361 3.687,362 1.531,363 2.664,364 1.387,365 3.557,366 2.241,367 1.311,368 1.72,370 2.841,371 1.215,372 2.353,373 1.048,374 3.405,375 1.924,376 1,377 1.31,379 2.235,380 0.906,381 2.118,382 0.803,383 3.237,384 1.697,385 0.79,386 0.971,388 1.907,389 0.702,390 2.054,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.505,400 0.345,401 2.829,402 1.249,403 0.316,404 0.368,406 0.749,407 0.291,408 0.657,409 -0.337,410 2.352,411 0.503,412 -0.466,413 -0.512,415 -1.154,416 -0.448,417 0.209,418 -0.776,419 2.07,420 -0.049,421 -1,422 -1.112,424 -2.424,425 -0.923,426 0.126,427 -0.892,428 1.674,429 -0.146,430 -1.086,431 -1.221,433 -2.63,434 -1.016,435 -0.112,436 -1.514,437 1.497,438 -0.649,439 -1.567,440 -1.828,442 -3.963,443 -1.345,444 -0.118,445 -1.618,446 1,447 -0.68,448 -1.618,449 -2.027,451 -4.372,452 -1.473,453 -0.328,454 -1.64,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.578,462 8.133,463 0.508,464 0.239,465 0.015,466 18.25,467 1.141,468 8,469 0.5,470 10.25,471 0.641,472 13.32,473 0.832,474 17.067,475 0.533,476 7.889,477 0.493,478 2.996,479 0.187,480 4.936,481 0.309,484 0.234,487 0.864,488 1.256,489 0.775,490 0.945,491 0.608,492 0.965,493 1.188,494 0.929,495 0.976,496 0.919,497 0.861,498 0.978,499 0.806,500 0.97,501 1.045,502 1.058,503 0.798,504 1.077,505 0.781,506 1.073,507 1.069,508 1.127,509 0.956,510 1.151,511 0.944,512 1.027,513 1.093,514 1.082,515 0.947,516 1.038,517 1.028,518 0.917,519 0.823,520 0.835,521 0.82,522 0.771,523 1.311,524 0.855,525 0.78,526 0.732,527 1.334,528 0.837,529 1.287,530 1.289,531 1.392,532 1.347,533 1.819,534 1.188,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 4957,547 2.213,548 50,549 5,550 3,551 2,552 2,554 2,555 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,564 1,565 1,567 45.894,568 1.434,569 3.299,570 4.39,571 4.688,572 4.688,573 4.688,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,581 1,582 1,584 1,585 160,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.091,604 -0.152,605 0.098,606 0.012,607 0.296,608 0.018,609 -0.039,610 0.152,611 -0.034,612 0.043,613 0.041,614 -0.017,615 -0.088,616 -0.03,617 -0.101,618 -0.077,619 -0.107,620 -0.088,621 -0.056,622 -0.15,623 -0.122,624 -0.151,625 -0.16,626 -0.167,627 -0.035,628 -0.113,629 -0.092,630 -0.102,631 -0.08,632 -0.069,633 0.105,634 0.021,635 0.12,636 0.085,637 0.168,638 0.175,639 -0.106,640 0.14,641 0.105,642 0.161,643 0.033,644 0.099,645 -0.023,646 -0.266,647 -0.115,648 -0.226,649 -0.196,650 -0.217,651 0.558,652 1.085,653 0.875,654 8.625,655 0.983,656 1.119,657 2.838,658 8.057,659 0.687,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.622,672 232.38,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 6.3,691 1,693 1,699 5,700 1,703 1,704 2,705 1,706 10,724 32,726 10,728 18,730 34,731 13,733 7,739 3,740 4,748 3,749 1,751 4,753 7,754 6,755 1,769 1,772 16,773 1,775 3,776 1,778 1,779 2,784 0.667,801 2,802 1,805 1,832 2,834 1,840 16,846 5,850 1,856 1,869 7.333,870 5.567,871 3.556,872 2.124,874 1.642,875 1.266,876 1.003,877 2.982,878 7.824,879 3.178,880 3.701,881 4.23,882 4.722,883 4.634,884 4.792,885 4.995,886 5.26,887 5.351,888 5.544,889 1,890 19,891 5.937,893 2.489,894 7.313,895 12.056,897 10.353,899 1.813,900 29,901 0.01,904 188.338,905 91.904,906 18.685,910 31.278,911 60.627,912 188.338,913 18.685,915 12.244,916 26.173,917 48.946,918 14.132,919 24.901,920 172.531,922 188.338,923 79.311,925 31.278,927 164.795,928 23.542,931 31.809,932 30.717,933 16.786,934 31.278,935 188.338,936 18.685,937 91.904,940 188.338,941 48.065,942 45.738,944 16.786,945 188.338,946 18.685,947 91.904,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.088,956 3,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,964 1,968 10.367,969 4.602,970 2.187,972 16.786,973 10.406,974 4.085,977 1.933,978 3.248,979 2.181,981 298.927,982 23,994 31.465,995 35.823,996 0.287,997 0.66,998 0.878,999 0.938,1000 0.938,1001 0.938,1002 4.376,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.382,1009 5.979,1010 3.777,1011 5.52,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 3.861,1018 6.783,1019 3.071,1020 6.784,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.452,1027 9.892,1028 5.214,1029 8.09,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 6.955,1036 11.626,1037 5.47,1038 9.436,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 8.819,1045 14.203,1046 6.976,1047 10.809,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 9.775,1054 16.29,1055 7.674,1056 12.201,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 11.343,1063 18.703,1064 8.926,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 12.508,1072 20.93,1073 9.831,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 13.949,1081 23.288,1082 10.979,1083 2.087,1084 7.037,1085 20.801,1086 3.907,1087 12.373,1088 15.21,1090 25.571,1091 11.98,1092 1.548,1093 6.181,1094 22.64,1095 3.478,1096 13.501,1097 16.597,1099 27.909,1100 13.087,1101 1.311,1102 3.687,1103 24.486,1104 2.348,1105 14.57,1106 17.904,1108 30.215,1109 14.132,1110 1,1111 2.841,1112 26.336,1113 1.817,1114 15.684,1115 19.269,1117 32.544,1118 15.223,1119 0.79,1120 2.235,1121 28.191,1122 1.72,1123 16.774,1124 20.598,1126 34.861,1127 16.288,1128 2117,1129 3225,1130 12.712,1131 21.989,1132 26.904,1133 26.347,1134 26.431,1135 26.495,1136 26.513,1137 33.694,1139 72.45,1140 24.875,1141 5.278,1142 5.193,1143 6.145,1144 5.096,1145 5.047,1146 6.56,1148 16.997,1149 4.957,1151 1.495,1152 1.464,1153 1.468,1154 1.472,1155 1.473,1156 1.872,1158 4.025,1159 1.382,1160 4.022,1161 4.059,1162 4.249,1163 4.015,1164 4.954,1165 3.957,1166 3.888,1167 3.941,1168 3.861,1169 3.703,1170 4.656,1171 3.723,1172 3.46,1173 3.504,1174 3.489,1175 3.407,1176 4.02,1177 3.352,1178 3.322,1179 3.4,1180 3.135,1181 3.178,1182 3.824,1183 3.158,1184 2.9,1185 2.993,1186 2.771,1187 2.739,1188 3.453,1189 2.705,1190 2.568,1191 2.67,1192 2.441,1193 2.397,1194 3.324,1195 2.369,1196 2.466,1197 2.566,1198 2.332,1199 2.288,1200 3.13,1201 2.263,1202 2.259,1203 2.383,1204 2.25,1205 2.158,1206 2.929,1207 2.019,1208 0.24,1209 0.182,1210 0.362,1211 0.223,1212 0.169,1213 4.328,1214 0.217,1215 3.275,1217 6.512,1218 0.568,1219 4.017,1220 0.164,1221 3.047,1222 3.907,1224 10.216,1225 2.957,1226 1.896,1227 1.857,1228 2.068,1229 2.012,1230 1.46,1231 2.036,1232 1.601,1233 1.537,1234 1.805,1235 1.812,1236 1.107,1237 1.816,1238 1.417,1239 1.394,1240 1.56,1241 1.529,1242 0.762,1243 1.558,1244 1.306,1245 1.242,1246 1.492,1247 1.505,1248 0.615,1249 1.515,1250 1.148,1251 1.08,1252 1.39,1253 1.353,1254 0.546,1255 1.382,1256 1.082,1257 1.044,1258 1.252,1259 1.176,1260 0.412,1261 1.248,1262 0.757,1263 0.663,1264 1.041,1265 0.967,1266 0.259,1267 1.039,1268 0.275,1269 0.135,1270 0.793,1271 0.608,1273 0.693,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 6.37,1294 0.775,1300 19.918,1301 45.894,1302 105.582,1303 140.49,1304 150,1305 150,1306 150,1307 15.206,1308 6.182,1309 17.82,1310 46.06,1311 16,1312 11.846,1313 3.459,1314 2.585,1315 21.891,1316 41,1317 34,1318 0.263,1319 126.301,1320 204.53,1321 299.934,1322 3422,1324 10.795,1325 0.675,1326 0.632,1327 11.148,1328 10.119,1329 7.933,1330 0.441,1331 0.38,1332 5.985,1333 7.266,1334 5.782,1335 4.765,1336 8.387,1337 6.833,1338 6.774,1339 0.282,1340 0.228,1341 7.357,1342 5.478,1343 5.894,1344 0.184,1345 0.14,1346 6.537,1347 4.468,1348 5.008,1349 0.122,1350 0.088,1351 5.722,1352 3.618,1353 3.26,1354 0.08,1355 0.06,1356 3.775,1357 2.444,1358 0.402,1359 53.25,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 182.151,1365 109.807,1366 201.954,1367 282.46,1368 192,1369 98,1370 195.33,1371 120.397,1372 214.028,1373 309.43,1374 202,1375 5.91} {0 CHEMBL292331,1 1.419,2 14.5,3 5.576,4 31.087,5 139.476,6 7.287,7 0.486,8 4.238,9 4.343,10 3.821,11 3.87,12 5.291,13 3.803,14 4.779,15 4.928,16 4.139,17 4.273,18 5.816,19 4.162,20 5.067,21 5.274,22 4.187,23 4.395,24 5.949,25 4.251,26 5.121,27 5.351,28 4.14,29 4.396,30 5.963,31 4.23,32 5.126,33 5.362,34 4.111,35 4.4,36 5.944,37 4.229,38 5.118,39 5.367,40 4.066,41 4.364,42 5.925,43 4.194,44 5.078,45 5.319,46 4.016,47 4.324,48 5.899,49 4.148,50 5.045,51 5.294,52 3.951,53 4.263,54 5.865,55 4.095,56 0.049,57 0.82,58 14.233,59 6.784,60 12.016,61 8.58,62 0.255,63 1.404,64 28.655,65 12.107,66 44.294,67 15.005,68 0.303,69 1.806,70 39.769,71 15.934,72 47.671,73 20.175,74 0.346,75 1.919,76 44.32,77 17.04,78 52.759,79 21.618,80 0.289,81 1.934,82 44.33,83 17.453,84 47.447,85 22.261,86 0.35,87 1.911,88 41.974,89 16.566,90 48.273,91 21.832,92 0.282,93 1.826,94 41.08,95 16.285,96 47.947,97 21.042,98 0.344,99 1.756,100 40.862,101 15.551,102 51.274,103 19.937,104 12,105 48,106 0.225,107 0.545,108 0.748,109 0.854,110 0.887,111 0.887,112 3.56,113 1.046,114 -5.46,115 -5.34,116 -4.99,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 5,175 1,177 1,180 25,181 1,186 6,191 1,194 22,195 1,198 7,203 1,206 19,207 1,210 5,215 1,218 18,219 1,221 1,222 5,227 1,229 17,230 1,234 5,239 1,242 16,243 1,247 6,252 1,255 17,259 4,260 1,267 17,268 2,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 16.475,278 14.589,279 23.866,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.605,286 14.727,287 7,288 18.895,289 4.603,290 2.585,291 1.309,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 24.479,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.7,325 71.5,326 493,327 4.249,328 4.543,329 6.705,330 4.093,331 3.144,332 3.889,333 3.272,334 10.882,335 2.98,336 4.231,337 3.597,338 6.143,339 3.868,340 2.869,341 3.592,342 2.341,343 9.054,344 2.867,345 3.813,346 3.06,347 5.734,348 3.472,349 2.504,350 3.304,351 1.151,352 7.706,353 2.428,354 3.694,355 2.947,356 5.323,357 3.368,358 2.379,359 2.899,361 6.892,362 2.347,363 3.559,364 2.82,365 4.659,366 3.241,367 2.235,368 2.722,370 5.184,371 2.222,372 3.269,373 2.552,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.166,382 2.207,383 4.441,384 2.759,385 1.769,386 2.233,388 4.457,389 1.744,390 3.009,391 2.124,392 4.111,393 2.636,394 1.7,395 2.151,397 3.778,398 1.579,399 2.661,400 1.877,401 3.692,402 2.357,403 1.397,404 1.727,406 3.159,407 1.331,408 2.546,409 1.669,410 3.52,411 2.18,412 1.201,413 1.542,415 2.739,416 1.175,417 2.5,418 1.402,419 3.496,420 2.017,421 1.105,422 1.5,424 2.628,425 1,426 2.5,427 1.373,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.155,437 3.247,438 2,439 1,440 1.5,442 2.136,443 0.995,444 2.324,445 1,446 3.247,447 1.955,448 1,449 1.301,451 2.136,452 0.952,453 1.977,454 1,455 3.213,456 1.837,457 0.91,458 0.936,460 1.958,461 0.818,462 16.733,463 0.492,464 0.554,465 0.016,466 40.5,467 1.191,468 20.5,469 0.603,470 20,471 0.588,472 33.439,473 0.984,474 36.067,475 0.555,476 28.701,477 0.844,478 7.51,479 0.221,480 9.193,481 0.27,482 0.04,484 0.239,487 0.771,488 1.043,489 0.808,490 0.951,491 0.714,492 0.943,493 0.833,494 1.123,495 1.179,496 1.168,497 0.525,498 1.108,499 1.017,500 1.059,501 1.055,502 1.077,503 0.882,504 1.066,505 1.017,506 1.01,507 1.14,508 1.069,509 0.744,510 1.025,511 0.831,512 1.047,513 1.13,514 1.098,515 0.554,516 1.035,517 0.774,518 0.924,519 0.953,520 0.943,521 0.588,522 0.973,523 0.865,524 1.034,525 1.06,526 1.057,527 0.75,528 1.051,529 1.055,530 0.92,531 1.078,532 0.967,533 0.814,534 0.947,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47693,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 92.237,568 1.419,569 3.438,570 4.714,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.63,601 1.437,602 185.955,603 -0.023,604 0.014,605 0.057,606 0.053,607 -0.031,608 0.043,609 0.058,610 -0.07,611 -0.123,612 -0.095,613 0.138,614 -0.115,615 -0.056,616 -0.067,617 -0.043,618 -0.059,619 -0.078,620 -0.075,621 -0.071,622 -0.016,623 -0.046,624 -0.017,625 -0.031,626 -0.025,627 -0.029,628 -0.054,629 -0.048,630 -0.046,631 0.016,632 -0.026,633 0.017,634 0.064,635 0.019,636 0.036,637 -0.007,638 0.02,639 -0.036,640 -0.054,641 -0.04,642 -0.046,643 -0.043,644 -0.05,645 -0.083,646 0.063,647 -0.031,648 0.043,649 -0.059,650 0.046,651 2.418,652 3.705,653 0.676,654 47.298,655 0.991,656 1.112,657 4.231,658 17.905,659 0.684,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.635,672 473.68,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 4,774 1,775 5,776 1,779 1,784 1,785 3,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,833 1,834 1,840 34,845 1,846 6,848 1,849 1,850 3,857 1,862 4.6,864 1,865 1,866 1,869 16.667,870 11.15,871 7.694,872 3.954,874 2.881,875 1.369,876 0.95,877 9.094,878 10.69,879 3.892,880 4.376,881 4.842,882 5.326,883 5.823,884 5.871,885 6.236,886 6.503,887 6.774,888 7.02,889 0.9,890 47,891 12.595,893 5.252,894 7.637,895 24.613,897 20.387,899 2.137,900 72.667,904 353.133,905 202.788,906 16.786,908 78.828,910 32.22,911 170.568,912 431.961,913 16.786,915 15.63,916 123.191,917 120.066,918 30.837,920 361.81,922 353.133,923 187.354,924 78.828,925 32.22,927 341.362,928 79.599,929 11,931 33.725,932 117.891,933 35.738,934 32.22,935 353.133,936 95.614,937 202.788,940 353.133,941 61.502,942 141.286,944 95.614,945 353.133,946 95.614,947 202.788,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,964 1,968 24.412,969 12.666,970 7.141,972 95.614,973 26.986,974 4.329,978 4.871,980 42.683,981 651.535,982 48,987 10.705,989 4.102,991 -0.751,994 64.414,995 72.275,996 0.236,997 0.571,998 0.783,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 3.515,1009 6.632,1010 4.515,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.823,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 5.6,1027 10.535,1028 5.97,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.171,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.339,1044 7.879,1045 14.873,1046 7.716,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.983,1053 5.889,1054 16.982,1055 8.349,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.763,1062 10.213,1063 19.422,1064 9.63,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.658,1071 7.625,1072 21.682,1073 10.483,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.273,1080 12.566,1081 24.073,1082 11.643,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.327,1089 9.342,1090 26.397,1091 12.607,1092 2.379,1093 7.706,1094 23.305,1095 3.592,1096 14.139,1097 16.84,1098 14.928,1099 28.775,1100 13.716,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.997,1107 11.051,1108 31.129,1109 14.736,1110 1.846,1111 5.184,1112 27.019,1113 2.899,1114 16.345,1115 19.446,1116 17.295,1117 33.505,1118 15.823,1119 1.769,1120 4.695,1121 28.884,1122 2.722,1123 17.447,1124 20.67,1125 12.755,1126 35.873,1127 16.87,1128 17770,1129 28527,1130 25.424,1131 44.438,1132 54.414,1133 57.602,1134 54.508,1135 53.803,1136 53.837,1137 68.696,1138 13.528,1139 143.437,1140 52.077,1141 5.2,1142 6.543,1143 6.529,1144 5.227,1145 5.144,1146 6.889,1147 6.545,1148 18.009,1149 4.98,1150 12.033,1151 1.471,1152 1.557,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.366,1158 3.877,1159 1.407,1160 4.027,1161 4.052,1162 4.077,1163 3.976,1164 7.474,1165 3.966,1166 3.945,1167 3.975,1168 3.938,1169 3.899,1170 6.351,1171 3.872,1172 3.778,1173 3.82,1174 3.706,1175 3.701,1176 4.903,1177 3.694,1178 3.76,1179 3.796,1180 3.67,1181 3.66,1182 4.843,1183 3.653,1184 3.67,1185 3.708,1186 3.635,1187 3.564,1188 4.661,1189 3.545,1190 3.458,1191 3.492,1192 3.393,1193 3.29,1194 4.483,1195 3.283,1196 3.204,1197 3.244,1198 3.158,1199 3.057,1200 4.379,1201 3.052,1202 3.101,1203 3.15,1204 3.036,1205 2.927,1206 4,1207 2.908,1208 0.115,1209 0.123,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 4.543,1216 0.088,1217 6.705,1218 0.294,1219 4.093,1220 0.081,1221 3.144,1222 3.889,1223 3.272,1224 10.882,1225 2.98,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.388,1231 2.073,1232 1.881,1233 1.848,1234 2.025,1235 1.992,1236 1.216,1237 2.004,1238 1.78,1239 1.749,1240 1.94,1241 1.91,1242 1.156,1243 1.926,1244 1.764,1245 1.721,1246 1.916,1247 1.873,1248 1.05,1249 1.889,1250 1.606,1251 1.562,1252 1.819,1253 1.78,1254 1.001,1255 1.792,1256 1.394,1257 1.356,1258 1.619,1259 1.602,1260 0.926,1261 1.613,1262 1.266,1263 1.236,1264 1.434,1265 1.423,1266 0.703,1267 1.45,1268 1.136,1269 1.091,1270 1.374,1271 1.299,1272 0.59,1273 1.344,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.805,1290 4.267,1292 6.466,1293 1.952,1294 0.935,1300 41.255,1301 92.237,1302 223.439,1303 306.381,1304 349.944,1305 363.454,1306 363.454,1307 64.238,1308 7.809,1309 59.42,1310 84.72,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 257.087,1320 454.96,1321 619.053,1322 28907,1324 23.589,1325 0.694,1326 0.59,1327 23.943,1328 20.071,1329 16.704,1330 0.451,1331 0.349,1332 11.858,1333 15.908,1334 11.496,1335 9.506,1336 17.158,1337 12.896,1338 14.205,1339 0.296,1340 0.204,1341 14.729,1342 9.772,1343 11.504,1344 0.189,1345 0.126,1346 12.258,1347 7.705,1348 9.43,1349 0.122,1350 0.078,1351 10.31,1352 6.027,1353 7.501,1354 0.081,1355 0.044,1356 8.203,1357 4.087,1358 0.251,1359 107.325,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 442.126,1365 201.641,1366 450.711,1367 605.6,1368 424,1369 194,1370 410.039,1371 224.412,1372 430.016,1373 622.37,1374 405,1375 7.816} {0 CHEMBL292740,1 1.498,2 14.417,3 4.56,4 20.792,5 140.324,6 7.547,7 0.462,8 4.279,9 4.372,10 3.966,11 3.901,12 5.341,13 3.84,14 4.837,15 4.972,16 4.246,17 4.301,18 6.035,19 4.214,20 5.16,21 5.353,22 4.311,23 4.44,24 6.165,25 4.325,26 5.215,27 5.424,28 4.315,29 4.443,30 6.276,31 4.315,32 5.244,33 5.46,34 4.29,35 4.456,36 6.291,37 4.324,38 5.234,39 5.464,40 4.211,41 4.42,42 6.246,43 4.283,44 5.156,45 5.382,46 4.157,47 4.369,48 6.15,49 4.224,50 5.14,51 5.371,52 4.105,53 4.315,54 6.142,55 4.182,56 0.072,57 0.876,58 16.292,59 7.346,60 22.441,61 8.602,62 0.331,63 1.472,64 29.302,65 12.561,66 84.348,67 15.052,68 0.417,69 1.924,70 43.131,71 16.765,72 95.189,73 20.482,74 0.655,75 2.029,76 48.295,77 17.771,78 109.37,79 21.902,80 0.559,81 2.095,82 49.72,83 18.366,84 112.894,85 22.678,86 0.561,87 2.051,88 47.385,89 17.586,90 108.205,91 22.294,92 0.371,93 1.916,94 44.155,95 16.91,96 86.82,97 21.327,98 0.495,99 1.86,100 44.947,101 16.272,102 98.811,103 20.287,104 24,105 53,106 0.235,107 0.553,108 0.748,109 0.85,110 0.881,111 0.881,112 3.615,113 1.069,114 -4.57,115 -4.5,116 -4.23,118 43.3,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 5,175 1,177 1,180 23,181 1,186 9,191 1,194 20,195 1,197 2,198 10,203 1,206 17,207 1,209 2,210 9,215 1,218 16,219 1,221 1,222 9,227 1,229 14,230 1,234 11,239 1,242 13,243 1,247 12,252 1,255 15,259 8,260 1,267 16,268 1,270 3014,271 24.335,272 24.335,273 24.335,274 24.335,275 24.335,276 21.415,277 17.299,278 14.877,279 24.763,280 19.322,281 19.322,282 19.322,283 19.322,284 19.322,285 15.026,286 15.808,287 7.148,288 20.042,289 4.568,290 2.538,291 1.3,292 0.649,293 0.448,294 0.448,295 4.31,300 1,301 1105,302 4.183,305 116.493,306 400.247,313 2.185,314 46.223,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 77.5,326 519,327 4.89,328 5.304,329 7.577,330 4.454,331 3.563,332 4.608,333 3.272,334 13.717,335 3.176,336 4.244,337 3.597,338 6.143,339 3.869,340 2.87,341 3.889,342 2.341,343 9.055,344 2.867,345 3.906,346 3.117,347 6.07,348 3.494,349 2.548,350 3.443,351 1.151,352 8.573,353 2.43,354 3.811,355 3.024,356 5.739,357 3.435,358 2.47,359 3.303,361 7.693,362 2.354,363 3.621,364 2.852,365 5.323,366 3.363,367 2.374,368 2.729,370 6.893,371 2.312,372 3.558,373 2.577,374 4.761,375 3.24,376 2.235,377 2.708,379 5.184,380 2.221,381 3.266,382 2.211,383 4.659,384 2.83,385 1.845,386 2.575,388 4.784,389 1.819,390 3.156,391 2.124,392 4.445,393 2.746,394 1.761,395 2.218,397 4.48,398 1.729,399 2.978,400 1.88,401 3.898,402 2.591,403 1.63,404 2.129,406 3.484,407 1.55,408 2.661,409 1.669,410 3.647,411 2.308,412 1.34,413 1.726,415 2.989,416 1.291,417 2.544,418 1.432,419 3.52,420 2.17,421 1.173,422 1.541,424 2.718,425 1.168,426 2.5,427 1.374,428 3.462,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.157,437 3.414,438 2,439 1,440 1.5,442 2.138,443 1,444 2.5,445 1,446 3.247,447 1.962,448 1,449 1.5,451 2.136,452 0.958,453 2.085,454 1,455 3.247,456 1.951,457 0.972,458 1.042,460 2.136,461 0.946,462 17.4,463 0.483,464 0.821,465 0.023,466 45,467 1.25,468 23.5,469 0.653,470 21.5,471 0.597,472 33.892,473 0.941,474 39,475 0.582,476 36.84,477 1.023,478 8.617,479 0.239,480 8.82,481 0.245,482 0.077,483 0.048,484 0.23,487 0.609,488 1.123,489 0.852,490 1.132,491 0.667,492 0.968,493 0.726,494 1.146,495 1.113,496 1.185,497 0.545,498 1.105,499 1.095,500 1.057,501 1.056,502 1.068,503 1.081,504 1.06,505 0.994,506 1.012,507 1.104,508 1.061,509 0.867,510 1.013,511 1.021,512 1.027,513 1.127,514 1.068,515 0.97,516 1.019,517 1.05,518 0.911,519 0.995,520 0.923,521 1.031,522 0.969,523 0.916,524 1.046,525 1.043,526 1.062,527 0.841,528 1.049,529 1.124,530 0.928,531 1.077,532 0.964,533 1.003,534 0.946,535 6.5,536 0.357,537 3.778,538 2.889,539 1.704,540 1.133,541 0.813,542 0.484,543 0.323,544 0.293,545 20428,546 57137,547 2.066,548 46.3,549 6,550 19,552 2,553 1,554 2,556 1,558 1.777,559 1.955,560 3.761,561 -0.41,567 100.357,568 1.498,569 3.529,570 4.766,571 5.417,572 5.618,573 5.618,574 3.256,575 4.725,576 5.132,577 3.98,578 2507.27,579 9.044,580 41630.4,585 406.428,586 1.391,587 5.105,588 0.167,589 0.008,590 0.071,591 0.055,592 0.033,593 0.022,594 0.017,595 0.011,596 0.007,597 0.007,598 0.397,599 0.17,600 0.75,601 1.501,602 198.644,603 0.043,604 -0.006,605 0.161,606 0.014,607 -0.086,608 0.046,609 0.116,610 -0.075,611 -0.094,612 -0.098,613 0.181,614 -0.111,615 -0.098,616 -0.063,617 -0.057,618 -0.054,619 -0.13,620 -0.073,621 0.039,622 -0.02,623 -0.023,624 -0.019,625 0.028,626 -0.021,627 -0.029,628 -0.031,629 -0.054,630 -0.035,631 -0.015,632 -0.026,633 -0.074,634 0.068,635 -0.018,636 0.044,637 -0.073,638 0.015,639 -0.051,640 -0.066,641 -0.032,642 -0.053,643 -0.016,644 -0.046,645 -0.109,646 0.049,647 -0.037,648 0.037,649 -0.063,650 0.044,651 4.328,652 6.215,653 0.639,654 50.025,655 1.001,656 1.115,657 3.343,658 11.173,659 0.677,660 3.689,661 3.989,662 4.22,663 4.5,664 4.7,665 4.71,666 4.852,667 4.949,668 5.017,669 5.13,670 8.443,671 0.637,672 505.68,673 3.689,674 5.22,675 6.052,676 6.929,677 7.788,678 8.678,679 9.554,680 10.453,681 11.34,682 12.245,683 1.5,693 1,699 13,700 1,704 4,706 18,724 67,726 22,727 2,728 39,730 70,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 4,760 1,761 3,763 2,765 1,772 31,773 6,774 1,775 7,776 1,779 1,784 1,785 5,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,834 1,840 36,843 1,845 1,846 6,848 1,850 3,857 1,862 7.5,864 1,865 3,866 1,869 18.417,870 11.483,871 7.986,872 4.01,874 2.855,875 1.361,876 0.954,877 8.823,878 10.757,879 3.97,880 4.516,881 4.933,882 5.454,883 5.94,884 5.996,885 6.382,886 6.674,887 6.869,888 7.147,889 0.9,890 53,891 13.635,893 6.102,894 7.882,895 25.675,897 21.691,899 2.382,900 85.75,904 353.133,905 176.614,906 16.786,908 123.141,910 6.046,911 170.568,912 476.274,913 16.786,915 15.63,916 129.237,917 164.379,918 30.837,920 329.591,922 353.133,923 187.354,924 123.141,925 6.046,927 341.362,928 123.912,929 11,931 33.725,932 117.891,933 41.784,935 353.133,936 139.927,937 176.614,939 6.046,940 353.133,941 29.282,942 141.286,944 139.927,945 353.133,946 139.927,947 176.614,949 0.57,950 0.316,951 0.175,952 0.098,953 23,954 10,955 0.157,956 11,958 1,959 4.71,960 331.118,962 23,963 176.117,967 1,968 25.973,969 12.23,970 6.99,972 139.927,973 25.112,974 4.144,978 3.939,980 42.683,981 669.674,982 52,986 -3.411,987 37.142,989 3.786,991 -0.83,994 67.069,995 74.693,996 0.247,997 0.582,998 0.786,999 0.893,1000 0.926,1001 0.926,1002 5.196,1003 1.761,1004 6.038,1005 4.784,1006 4.673,1007 5.204,1008 3.515,1009 6.864,1010 4.595,1011 6.391,1012 1.63,1013 7.602,1014 4.48,1015 4.29,1016 5.056,1017 2.243,1018 8.03,1019 4.095,1020 7.704,1021 1.34,1022 9.291,1023 3.484,1024 6.297,1025 7.378,1026 5.6,1027 11.132,1028 6.099,1029 9.06,1030 1.173,1031 11.063,1032 2.989,1033 6.804,1034 8.099,1035 4.112,1036 13.237,1037 6.439,1038 10.458,1039 1,1040 12.893,1041 2.718,1042 8.294,1043 9.922,1044 7.879,1045 15.96,1046 7.913,1047 11.888,1048 1,1049 14.766,1050 2.275,1051 9.218,1052 11.049,1053 5.889,1054 18.404,1055 8.656,1056 13.345,1057 1,1058 16.671,1059 2.138,1060 10.531,1061 12.683,1062 10.213,1063 21.041,1064 9.914,1065 3.563,1066 0.972,1067 18.601,1068 2.136,1069 11.648,1070 14.008,1071 7.625,1072 23.601,1073 10.858,1074 2.87,1075 13.717,1076 20.55,1077 2.136,1078 12.909,1079 15.566,1080 12.566,1081 26.221,1082 12.03,1083 2.548,1084 9.055,1085 22.515,1086 4.608,1087 14.109,1088 16.989,1089 9.342,1090 28.82,1091 13.074,1092 2.47,1093 8.573,1094 24.491,1095 3.889,1096 15.362,1097 18.519,1098 14.928,1099 31.437,1100 14.216,1101 2.374,1102 7.693,1103 26.478,1104 3.443,1105 16.599,1106 19.991,1107 11.051,1108 34.049,1109 15.308,1110 2.235,1111 6.893,1112 28.472,1113 3.303,1114 17.855,1115 21.511,1116 17.295,1117 36.666,1118 16.443,1119 1.845,1120 5.184,1121 30.473,1122 2.729,1123 19.108,1124 23.008,1125 12.755,1126 39.282,1127 17.559,1128 19632,1129 32969,1130 26.118,1131 45.347,1132 57.922,1133 60.308,1134 58.446,1135 57.583,1136 57.483,1137 75.01,1138 13.528,1139 161.204,1140 55.418,1141 5.842,1142 7.304,1143 7.4,1144 5.588,1145 5.563,1146 7.608,1147 6.545,1148 21.63,1149 5.176,1150 16.621,1151 1.485,1152 1.546,1153 1.499,1154 1.476,1155 1.474,1156 1.923,1157 0.347,1158 4.133,1159 1.421,1160 4.15,1161 4.135,1162 4.755,1163 4.147,1164 7.713,1165 4.052,1166 3.996,1167 4.016,1168 3.949,1169 3.957,1170 7.474,1171 3.945,1172 3.784,1173 3.823,1174 3.77,1175 3.701,1176 6.999,1177 3.695,1178 3.76,1179 3.799,1180 3.689,1181 3.674,1182 6.351,1183 3.662,1184 3.752,1185 3.777,1186 3.652,1187 3.652,1188 4.898,1189 3.629,1190 3.532,1191 3.558,1192 3.47,1193 3.373,1194 4.843,1195 3.355,1196 3.32,1197 3.323,1198 3.281,1199 3.131,1200 4.657,1201 3.127,1202 3.188,1203 3.227,1204 3.065,1205 3.023,1206 4.467,1207 3.019,1208 0.125,1209 0.136,1210 0.194,1211 0.114,1212 0.091,1213 4.89,1214 0.118,1215 5.304,1216 0.084,1217 7.577,1218 0.352,1219 4.454,1220 0.081,1221 3.563,1222 4.608,1223 3.272,1224 13.717,1225 3.176,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.408,1231 2.073,1232 1.925,1233 1.926,1234 2.027,1235 2.015,1236 1.248,1237 2.042,1238 1.789,1239 1.761,1240 1.943,1241 1.92,1242 1.21,1243 1.944,1244 1.765,1245 1.727,1246 1.917,1247 1.876,1248 1.15,1249 1.893,1250 1.66,1251 1.667,1252 1.82,1253 1.791,1254 1.004,1255 1.829,1256 1.594,1257 1.554,1258 1.638,1259 1.745,1260 0.947,1261 1.777,1262 1.35,1263 1.313,1264 1.489,1265 1.563,1266 0.772,1267 1.566,1268 1.153,1269 1.11,1270 1.392,1271 1.363,1272 0.592,1273 1.372,1274 4.369,1276 5.673,1277 2.398,1278 7.168,1279 4.949,1280 8.754,1281 7.209,1282 10.397,1289 8.799,1290 2.134,1292 6.243,1294 -1.308,1300 42.684,1301 100.357,1302 236.413,1303 319.355,1304 362.918,1305 376.428,1306 376.428,1307 95.919,1308 7.902,1309 93.56,1310 101.94,1311 23,1312 12.768,1313 4.524,1314 3.807,1315 62.013,1316 172,1317 202,1318 0.164,1319 265.08,1320 472.54,1321 638.555,1322 31197,1324 25.382,1325 0.705,1326 0.58,1327 25.632,1328 20.887,1329 17.437,1330 0.447,1331 0.356,1332 12.223,1333 16.235,1334 11.815,1335 9.752,1336 18.259,1337 13.896,1338 15.682,1339 0.296,1340 0.212,1341 16.945,1342 11.261,1343 12.138,1344 0.181,1345 0.13,1346 13.208,1347 8.735,1348 10.338,1349 0.116,1350 0.081,1351 11.673,1352 7.19,1353 8.368,1354 0.077,1355 0.046,1356 9.504,1357 5.059,1358 0.262,1359 116.399,1360 0.196,1361 33.417,1362 0.44,1363 184,1364 537.597,1365 233.659,1366 537.368,1367 709.76,1368 496,1369 212,1370 470.049,1371 271.545,1372 509.3,1373 732.65,1374 477,1375 6.699} {0 CHEMBL292899,1 1.336,2 7.235,3 1.963,4 3.854,5 67.686,6 6.686,7 0.579,8 3.614,9 3.751,10 3.118,11 3.172,12 4.574,13 3.126,14 4.186,15 4.387,16 3.416,17 3.589,18 5.036,19 3.504,20 4.454,21 4.713,22 3.333,23 3.708,24 5.154,25 3.557,26 4.462,27 4.733,28 3.193,29 3.649,30 5.145,31 3.471,32 4.414,33 4.71,34 3.04,35 3.519,36 5.077,37 3.327,38 4.237,39 4.544,40 2.943,41 3.326,42 4.936,43 3.152,44 3.978,45 4.267,46 2.845,47 3.12,48 4.794,49 2.982,50 3.697,51 3.985,52 2.474,53 2.787,54 4.592,55 2.636,56 0.032,57 0.519,58 7.811,59 3.098,60 6.491,61 4.523,62 0.131,63 0.855,64 14.53,65 5.281,66 11.322,67 7.846,68 0.131,69 0.998,70 19.333,71 7.359,72 13.575,73 10.922,74 0.135,75 0.978,76 19.609,77 7.345,78 14.43,79 10.976,80 0.147,81 0.9,82 18.958,83 6.721,84 15.744,85 10.227,86 0.152,87 0.752,88 15.982,89 5.533,90 14.219,91 8.45,92 0.099,93 0.602,94 12.216,95 4.034,96 13.315,97 6.279,98 0.114,99 0.454,100 9.284,101 2.839,102 14.009,103 4.476,105 25,106 0.249,107 0.595,108 0.818,109 0.892,110 0.892,111 0.892,112 2.908,113 0.999,114 -3.41,115 -3.39,116 -3.24,118 41.2,120 4,121 1,124 1,140 2,141 1,143 2,144 1,149 1,156 1,168 7,171 1,172 4,180 8,186 4,194 7,198 5,206 5,210 3,218 1,221 1,222 4,234 2,246 1,247 2,270 313,271 11.983,272 11.983,273 11.983,274 11.983,275 11.983,276 10.635,277 11.664,278 7.356,279 12.231,280 9.415,281 9.415,282 9.415,283 9.415,284 9.415,285 7.456,286 7.968,287 3.499,288 9.799,289 3.751,290 1.892,291 0.691,292 0.294,293 0.294,294 0.294,295 3.593,299 1,300 1,301 271,302 2,305 41.639,306 75.449,310 64.752,313 1.073,314 6.164,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35.5,326 123,327 4.307,328 3.263,329 6.506,330 4.022,331 3.032,332 3.87,334 10.196,335 3.001,336 3.919,337 2.647,338 5.374,339 3.457,340 2.54,341 3.478,343 7.036,344 2.331,345 3.289,346 2.284,347 5.173,348 3.066,349 2.095,350 2.429,352 6.183,353 2.03,354 2.944,355 1.709,356 4.169,357 2.614,358 1.618,359 2.104,361 3.807,362 1.612,363 2.7,364 1.405,365 3.613,366 2.284,367 1.336,368 1.767,370 2.927,371 1.267,372 2.56,373 1.286,374 3.529,375 2.235,376 1.26,377 1.575,379 2.76,380 1.224,381 2.196,382 0.956,383 3.307,384 1.906,385 0.948,386 1.152,388 2.168,389 0.906,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.607,400 0.499,401 2.901,402 1.405,403 0.438,404 0.499,406 1.011,407 0.423,408 0.843,409 -0.208,410 2.365,411 0.616,412 -0.361,413 -0.407,415 -0.886,416 -0.352,417 0.68,418 -0.502,419 2.143,420 0.357,421 -0.618,422 -0.73,424 -1.478,425 -0.6,426 0.451,427 -0.78,428 2,429 0.081,430 -0.886,431 -1.102,433 -2.184,434 -0.854,435 0.088,436 -1.088,437 1.749,438 -0.204,439 -1.166,440 -1.459,442 -2.725,443 -1.122,444 -0.118,445 -1.408,446 1.179,447 -0.584,448 -1.555,449 -1.805,451 -3.984,452 -1.468,453 -0.312,454 -1.593,455 1,456 -0.701,457 -1.618,458 -2.099,460 -4.372,461 -1.509,462 8.2,463 0.482,464 0.239,465 0.014,466 21.25,467 1.25,468 10,469 0.588,470 11.25,471 0.662,472 12.519,473 0.736,474 18.2,475 0.535,476 10.784,477 0.634,478 3.812,479 0.224,480 4.621,481 0.272,484 0.232,487 0.856,488 1.457,489 0.864,490 1.167,491 0.61,492 1.042,493 1.165,494 1.074,495 1.055,496 1.033,497 0.885,498 1.034,499 0.883,500 0.988,501 1.025,502 1.047,503 0.897,504 1.049,505 0.893,506 1.054,507 1.095,508 1.132,509 1.043,510 1.132,511 0.971,512 0.966,513 1.027,514 1.012,515 1.028,516 1.023,517 0.873,518 0.837,519 0.878,520 0.859,521 0.845,522 0.867,523 1.099,524 0.998,525 0.876,526 0.874,527 0.968,528 0.857,529 1.356,530 0.975,531 1.105,532 0.968,533 1.522,534 1.005,535 2,537 1.556,538 0.66,539 0.521,540 0.212,541 0.143,542 0.069,543 0.039,544 0.007,545 2588,546 5550,547 2.2,548 50,549 5,550 4,551 1,552 3,554 2,555 2,558 1.568,559 2.17,560 2.89,561 -0.807,563 1,564 1,565 1,567 45.429,568 1.336,569 3.196,570 4.396,571 4.793,572 4.793,573 4.793,574 2.257,575 3.617,576 4.063,577 2.999,578 407.91,579 6.858,580 3696.54,582 1,584 1,585 172.974,586 0.787,587 4.063,588 0.105,590 0.062,591 0.03,592 0.029,593 0.014,594 0.01,595 0.005,596 0.005,597 0.003,598 0.264,599 1,600 1,602 70.254,603 0.075,604 -0.265,605 0.085,606 -0.089,607 0.268,608 -0.016,609 -0.047,610 0.048,611 -0.084,612 -0.028,613 0.028,614 -0.055,615 -0.081,616 -0.018,617 -0.074,618 -0.044,619 -0.09,620 -0.056,621 -0.085,622 -0.111,623 -0.143,624 -0.143,625 -0.179,626 -0.148,627 -0.071,628 -0.055,629 -0.06,630 -0.055,631 -0.136,632 -0.056,633 0.104,634 0.067,635 0.102,636 0.084,637 0.058,638 0.091,639 -0.005,640 -0.05,641 0.113,642 0.064,643 0.141,644 0.094,645 0.016,646 0.011,647 -0.097,648 -0.075,649 0.025,650 -0.093,651 0.658,652 1.495,653 0.882,654 9.848,655 0.985,656 1.129,657 2.18,658 4.754,659 0.657,660 2.996,661 3.258,662 3.526,663 3.761,664 3.871,665 3.829,666 3.912,667 3.97,668 4.007,669 3.784,670 4.533,671 0.61,672 227.34,673 2.996,674 4.489,675 5.323,676 6.172,677 7.02,678 7.875,679 8.729,680 9.586,681 10.442,682 11.301,683 8.8,691 1,693 2,699 6,700 2,704 2,705 1,706 11,724 34,726 11,728 19,730 36,731 14,733 8,739 3,740 4,748 3,749 1,751 4,753 8,754 6,755 1,769 1,772 17,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,832 2,840 17,846 5,850 1,869 7.833,870 5.933,871 3.806,872 2.254,874 1.905,875 1.301,876 0.991,877 3.017,878 8.232,879 3.239,880 3.755,881 4.278,882 4.766,883 5,884 4.983,885 5.224,886 5.462,887 5.719,888 5.749,889 0.8,890 22,891 6.289,893 2.619,894 7.392,895 12.602,897 10.615,899 1.892,900 32.167,901 0.006,904 200.109,905 72.9,906 35.47,911 72.9,912 200.109,913 35.47,915 12.244,916 28,917 77.503,918 25.936,919 11.771,920 153.024,922 200.109,923 108.37,927 176.567,928 23.542,931 43.613,932 31.185,933 33.571,935 200.109,936 35.47,937 72.9,940 200.109,941 18.186,942 56.612,944 33.571,945 200.109,946 35.47,947 72.9,949 0.563,950 0.332,951 0.186,952 0.088,953 13,954 4,955 0.083,956 3,957 1,958 1.133,959 3.108,960 117.586,961 0.133,962 15,963 69.487,968 10.672,969 4.806,970 2.296,972 33.571,973 12.002,974 8.576,978 2.785,979 2.157,981 308.478,982 24.5,994 33.491,995 38.401,996 0.263,997 0.628,998 0.864,999 0.942,1000 0.942,1001 0.942,1002 4.428,1003 0.618,1004 5.252,1005 2.168,1006 3.932,1007 4.437,1009 5.999,1010 3.861,1011 5.569,1012 0.438,1013 6.758,1014 1.372,1015 3.219,1016 3.861,1018 6.783,1019 3.126,1020 6.826,1021 -0.361,1022 8.372,1023 1.011,1024 5.442,1025 6.498,1027 9.897,1028 5.315,1029 8.123,1030 -0.618,1031 10.055,1032 -0.886,1033 5.673,1034 6.88,1036 11.613,1037 5.533,1038 9.459,1039 -0.886,1040 11.787,1041 -1.478,1042 7.249,1043 8.846,1045 14.198,1046 7.086,1047 10.82,1048 -1.166,1049 13.551,1050 -2.184,1051 7.933,1052 9.679,1054 16.275,1055 7.768,1056 12.202,1057 -1.555,1058 15.339,1059 -2.725,1060 9.232,1061 11.342,1063 18.691,1064 9.051,1065 3.032,1066 -1.618,1067 17.145,1068 -3.984,1069 10.134,1070 12.402,1072 20.913,1073 9.956,1074 2.54,1075 10.196,1076 18.964,1077 -4.372,1078 11.315,1079 13.916,1081 23.271,1082 11.128,1083 2.095,1084 7.036,1085 20.793,1086 3.87,1087 12.322,1088 15.097,1090 25.55,1091 12.137,1092 1.618,1093 6.183,1094 22.631,1095 3.478,1096 13.454,1097 16.534,1099 27.887,1100 13.262,1101 1.336,1102 3.807,1103 24.475,1104 2.429,1105 14.511,1106 17.781,1108 30.19,1109 14.319,1110 1.26,1111 2.927,1112 26.324,1113 2.104,1114 15.624,1115 19.177,1117 32.518,1118 15.427,1119 0.948,1120 2.76,1121 28.177,1122 1.767,1123 16.705,1124 20.462,1126 34.832,1127 16.506,1128 2466,1129 3675,1130 13.405,1131 22.347,1132 28.07,1133 27.668,1134 27.776,1135 27.751,1136 27.769,1137 35.603,1139 74.92,1140 26.742,1141 5.258,1142 5.263,1143 6.195,1144 5.06,1145 5.032,1146 6.87,1148 16.977,1149 5.001,1151 1.477,1152 1.456,1153 1.462,1154 1.461,1155 1.462,1156 1.874,1158 3.943,1159 1.407,1160 4.02,1161 4.068,1162 3.947,1163 3.923,1164 4.956,1165 3.922,1166 3.889,1167 3.951,1168 3.83,1169 3.69,1170 4.867,1171 3.718,1172 3.523,1173 3.585,1174 3.39,1175 3.399,1176 4.128,1177 3.389,1178 3.334,1179 3.41,1180 3.154,1181 3.189,1182 3.896,1183 3.171,1184 2.94,1185 3.03,1186 2.76,1187 2.754,1188 3.754,1189 2.741,1190 2.756,1191 2.828,1192 2.598,1193 2.638,1194 3.379,1195 2.62,1196 2.572,1197 2.674,1198 2.388,1199 2.348,1200 3.35,1201 2.344,1202 2.475,1203 2.576,1204 2.261,1205 2.272,1206 3.273,1207 2.259,1208 0.227,1209 0.172,1210 0.342,1211 0.212,1212 0.16,1213 4.307,1214 0.204,1215 3.263,1217 6.506,1218 0.537,1219 4.022,1220 0.158,1221 3.032,1222 3.87,1224 10.196,1225 3.001,1226 1.979,1227 1.942,1228 2.122,1229 2.092,1230 1.471,1231 2.104,1232 1.643,1233 1.578,1234 1.832,1235 1.856,1236 1.105,1237 1.851,1238 1.497,1239 1.434,1240 1.728,1241 1.667,1242 0.847,1243 1.692,1244 1.315,1245 1.25,1246 1.522,1247 1.527,1248 0.708,1249 1.523,1250 1.2,1251 1.123,1252 1.421,1253 1.427,1254 0.484,1255 1.444,1256 0.881,1257 0.794,1258 1.234,1259 1.12,1260 0.345,1261 1.167,1262 0.75,1263 0.682,1264 1.049,1265 0.936,1266 0.203,1267 0.978,1268 0.517,1269 0.415,1270 0.886,1271 0.805,1273 0.838,1274 3.664,1276 4.934,1277 2.398,1278 6.412,1279 4.443,1280 7.989,1281 6.26,1282 9.619,1290 5.97,1294 0.676,1300 20.752,1301 45.429,1302 108.655,1303 149.464,1304 162.974,1305 162.974,1306 162.974,1307 17.162,1308 6.328,1309 30.71,1310 30.71,1311 17,1312 11.853,1313 3.585,1314 2.7,1315 23.77,1316 45,1317 39,1318 0.258,1319 128.629,1320 211.68,1321 305.615,1322 4196,1324 11.502,1325 0.677,1326 0.583,1327 11.502,1328 9.919,1329 8.433,1330 0.444,1331 0.333,1332 6.267,1333 8.186,1334 6.149,1335 5.086,1336 8.433,1337 6.328,1338 7.127,1339 0.285,1340 0.189,1341 7.127,1342 4.718,1343 6.144,1344 0.186,1345 0.11,1346 6.144,1347 3.626,1348 5.179,1349 0.123,1350 0.065,1351 5.179,1352 2.726,1353 3.794,1354 0.081,1355 0.041,1356 3.794,1357 1.906,1358 0.394,1359 52.162,1360 0.273,1361 17.175,1362 0.73,1363 88,1364 200.935,1365 93.245,1366 200.008,1367 281.22,1368 190,1369 102,1370 211.394,1371 107.856,1372 216.01,1373 311,1374 204,1375 6.201} {0 CHEMBL293122,1 1.354,2 7.235,3 1.713,4 2.935,5 68.536,6 7.041,7 0.579,8 3.562,9 3.693,10 3.11,11 3.139,12 4.582,13 3.103,14 4.097,15 4.289,16 3.401,17 3.531,18 5.024,19 3.461,20 4.305,21 4.545,22 3.31,23 3.617,24 5.105,25 3.49,26 4.273,27 4.515,28 3.165,29 3.548,30 5.055,31 3.395,32 4.267,33 4.547,34 3.012,35 3.43,36 4.993,37 3.258,38 4.107,39 4.404,40 2.919,41 3.239,42 4.856,43 3.085,44 3.867,45 4.138,46 2.833,47 3.065,48 4.721,49 2.944,50 3.675,51 3.958,52 2.473,53 2.778,54 4.582,55 2.631,56 0.025,57 0.486,58 6.851,59 2.818,60 5.722,61 3.984,62 0.122,63 0.793,64 12.685,65 4.653,66 10.695,67 6.72,68 0.115,69 0.895,70 16.284,71 6.262,72 13.417,73 9.101,74 0.097,75 0.853,76 15.759,77 6.21,78 13.084,79 9.009,80 0.118,81 0.814,82 16.308,83 6.024,84 14.25,85 8.923,86 0.136,87 0.691,88 14.161,89 5.01,90 13.75,91 7.49,92 0.083,93 0.564,94 10.822,95 3.74,96 11.583,97 5.62,98 0.112,99 0.462,100 9.084,101 2.869,102 13.833,103 4.368,105 25,106 0.254,107 0.618,108 0.81,109 0.89,110 0.89,111 0.89,112 2.908,113 0.951,114 -3.33,115 -3.31,116 -3.17,118 43.8,120 3,124 1,133 1,134 1,140 2,141 1,143 2,144 1,149 1,156 1,168 7,171 1,172 4,180 8,186 4,194 7,198 5,206 5,210 3,218 1,221 1,222 4,234 2,246 1,247 2,270 313,271 11.983,272 11.983,273 11.983,274 11.983,275 11.983,276 10.388,277 9.478,278 7.356,279 12.231,280 9.415,281 9.415,282 9.415,283 9.415,284 9.415,285 7.076,286 6.481,287 3.499,288 9.799,289 3.646,290 1.7,291 0.672,292 0.25,293 0.25,294 0.25,295 3.593,299 1,300 1,301 271,302 2,305 41.639,306 75.449,310 64.752,313 1.073,314 6.386,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35.5,326 123,327 4.382,328 3.192,329 6.506,330 4.022,331 3.032,332 3.983,334 10.196,335 3.001,336 3.92,337 2.661,338 5.374,339 3.457,340 2.54,341 3.479,343 7.036,344 2.331,345 3.517,346 2.345,347 5.173,348 3.066,349 2.095,350 2.812,352 6.183,353 2.03,354 2.945,355 1.835,356 4.169,357 2.614,358 1.618,359 2.104,361 3.807,362 1.612,363 2.718,364 1.431,365 3.613,366 2.284,367 1.336,368 1.787,370 2.927,371 1.267,372 2.66,373 1.378,374 3.529,375 2.235,376 1.26,377 1.693,379 2.76,380 1.224,381 2.197,382 1.088,383 3.307,384 1.906,385 0.948,386 1.152,388 2.168,389 0.906,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.696,400 0.514,401 2.901,402 1.405,403 0.438,404 0.527,406 1.011,407 0.423,408 0.861,409 -0.042,410 2.365,411 0.616,412 -0.361,413 -0.407,415 -0.886,416 -0.352,417 0.769,418 -0.588,419 2.143,420 0.357,421 -0.618,422 -0.791,424 -1.478,425 -0.6,426 0.484,427 -0.725,428 2,429 0.081,430 -0.886,431 -1.14,433 -2.184,434 -0.854,435 0.122,436 -1.039,437 1.749,438 -0.204,439 -1.166,440 -1.496,442 -2.725,443 -1.122,444 -0.118,445 -1.387,446 1.179,447 -0.584,448 -1.555,449 -1.975,451 -3.984,452 -1.468,453 -0.16,454 -1.556,455 1,456 -0.701,457 -1.618,458 -2.101,460 -4.372,461 -1.509,462 8.2,463 0.482,464 0.239,465 0.014,466 22.75,467 1.338,468 11.5,469 0.676,470 11.25,471 0.662,472 11.046,473 0.65,474 17.6,475 0.55,476 12.258,477 0.721,478 4.405,479 0.259,480 4.028,481 0.237,484 0.232,487 0.854,488 1.399,489 0.81,490 1.103,491 0.642,492 0.979,493 1.208,494 1.007,495 1.011,496 0.951,497 0.963,498 0.96,499 0.965,500 0.97,501 1.036,502 1.022,503 1.007,504 1.033,505 0.861,506 1.125,507 1.143,508 1.217,509 1.059,510 1.209,511 0.909,512 0.993,513 1.029,514 1.046,515 0.949,516 1.049,517 0.845,518 0.818,519 0.849,520 0.835,521 0.755,522 0.841,523 1.065,524 1.049,525 0.896,526 0.926,527 0.905,528 0.9,529 1.349,530 0.97,531 1.135,532 0.987,533 1.488,534 1.031,535 2,537 1.556,538 0.66,539 0.521,540 0.212,541 0.143,542 0.069,543 0.039,544 0.007,545 2588,546 5895,547 2.2,548 46.9,549 2,550 5,551 1,552 3,554 2,555 2,558 1.568,559 2.17,560 2.89,561 -0.807,563 1,564 1,565 1,567 43.339,568 1.354,569 3.3,570 4.328,571 4.75,572 4.75,573 4.75,574 2.257,575 3.617,576 4.063,577 2.999,578 407.91,579 6.858,580 3696.54,581 1,582 1,584 1,585 160,586 0.787,587 4.063,588 0.105,590 0.062,591 0.03,592 0.029,593 0.014,594 0.01,595 0.005,596 0.005,597 0.003,598 0.264,599 1,600 1,602 70.254,603 0.063,604 -0.265,605 0.081,606 -0.093,607 0.202,608 -0.02,609 -0.065,610 0.093,611 -0.072,612 0.012,613 -0.042,614 -0.023,615 -0.116,616 0.005,617 -0.089,618 -0.032,619 -0.148,620 -0.054,621 -0.092,622 -0.174,623 -0.205,624 -0.222,625 -0.187,626 -0.224,627 -0.05,628 -0.082,629 -0.055,630 -0.071,631 -0.067,632 -0.065,633 0.134,634 0.09,635 0.151,636 0.125,637 0.137,638 0.137,639 -0.003,640 -0.094,641 0.094,642 0.025,643 0.134,644 0.061,645 -0.006,646 0.014,647 -0.121,648 -0.085,649 -0.026,650 -0.109,651 0.514,652 1.455,653 0.882,654 9.848,655 0.988,656 1.125,657 2.098,658 4.401,659 0.675,660 2.996,661 3.258,662 3.526,663 3.761,664 3.871,665 3.829,666 3.912,667 3.97,668 4.007,669 3.784,670 4.533,671 0.632,672 225.32,673 2.996,674 4.489,675 5.323,676 6.172,677 7.02,678 7.875,679 8.729,680 9.586,681 10.442,682 11.301,683 9.4,691 1,693 2,699 6,700 2,704 2,705 1,706 11,724 32,726 12,728 19,730 34,731 14,733 8,736 2,739 3,740 4,748 2,751 3,753 10,754 4,756 1,763 1,765 1,769 1,772 15,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,822 1,823 1,832 2,840 17,846 4,869 7.833,870 5.683,871 3.806,872 2.025,874 2.228,875 1.352,876 1.012,877 2.848,878 8.556,879 3.277,880 3.823,881 4.371,882 4.879,883 5.169,884 5.232,885 5.537,886 5.801,887 6.057,888 5.966,889 0.8,890 22,891 6.266,893 2.595,894 7.441,895 12.401,897 10.22,899 1.941,900 33,901 0.004,904 176.567,905 83.027,906 35.47,911 83.027,912 176.567,913 35.47,915 9.709,916 37.476,917 77.503,918 29.122,919 11.771,920 129.482,922 176.567,923 118.497,927 153.024,928 23.542,931 41.079,932 34.371,933 43.047,935 176.567,936 35.47,937 83.027,940 176.567,941 18.837,942 66.089,944 33.571,945 176.567,946 35.47,947 83.027,949 0.563,950 0.332,951 0.186,952 0.088,953 13,954 4,955 0.088,956 3,957 1,958 1.133,959 3.108,960 117.586,961 0.133,962 15,963 69.487,968 10.428,969 4.642,970 2.198,972 33.571,973 11.792,974 8.516,978 2.578,979 2.117,981 295.063,982 25.5,989 2.348,991 1.424,994 31.607,995 35.986,996 0.271,997 0.66,998 0.866,999 0.95,1000 0.95,1001 0.95,1002 4.463,1003 0.618,1004 5.252,1005 2.168,1006 3.932,1007 4.505,1009 5.999,1010 3.861,1011 5.628,1012 0.438,1013 6.758,1014 1.372,1015 3.219,1016 3.98,1018 6.783,1019 3.126,1020 6.9,1021 -0.361,1022 8.372,1023 1.011,1024 5.442,1025 6.615,1027 9.897,1028 5.315,1029 8.214,1030 -0.618,1031 10.055,1032 -0.886,1033 5.673,1034 7.034,1036 11.613,1037 5.533,1038 9.564,1039 -0.886,1040 11.787,1041 -1.478,1042 7.249,1043 8.995,1045 14.198,1046 7.086,1047 10.94,1048 -1.166,1049 13.551,1050 -2.184,1051 7.933,1052 9.867,1054 16.275,1055 7.768,1056 12.335,1057 -1.555,1058 15.339,1059 -2.725,1060 9.232,1061 11.527,1063 18.691,1064 9.051,1065 3.032,1066 -1.618,1067 17.145,1068 -3.984,1069 10.134,1070 12.629,1072 20.913,1073 9.956,1074 2.54,1075 10.196,1076 18.964,1077 -4.372,1078 11.315,1079 14.145,1081 23.271,1082 11.128,1083 2.095,1084 7.036,1085 20.793,1086 3.983,1087 12.322,1088 15.37,1090 25.55,1091 12.137,1092 1.618,1093 6.183,1094 22.631,1095 3.479,1096 13.454,1097 16.815,1099 27.887,1100 13.262,1101 1.336,1102 3.807,1103 24.475,1104 2.812,1105 14.511,1106 18.105,1108 30.19,1109 14.319,1110 1.26,1111 2.927,1112 26.324,1113 2.104,1114 15.624,1115 19.515,1117 32.518,1118 15.427,1119 0.948,1120 2.76,1121 28.177,1122 1.787,1123 16.705,1124 20.842,1126 34.832,1127 16.506,1128 2466,1129 3790,1130 13.405,1131 21.586,1132 28.148,1133 27.812,1134 27.776,1135 27.751,1136 27.769,1137 36.928,1139 74.92,1140 26.742,1141 5.264,1142 5.192,1143 6.195,1144 5.06,1145 5.032,1146 6.983,1148 16.977,1149 5.001,1151 1.481,1152 1.464,1153 1.462,1154 1.461,1155 1.462,1156 1.944,1158 3.943,1159 1.407,1160 4.02,1161 4.064,1162 3.959,1163 3.933,1164 4.959,1165 3.933,1166 3.889,1167 3.95,1168 3.831,1169 3.69,1170 4.884,1171 3.718,1172 3.51,1173 3.566,1174 3.4,1175 3.398,1176 4.29,1177 3.392,1178 3.3,1179 3.377,1180 3.121,1181 3.157,1182 3.887,1183 3.138,1184 2.902,1185 2.982,1186 2.754,1187 2.732,1188 3.76,1189 2.725,1190 2.684,1191 2.752,1192 2.535,1193 2.577,1194 3.388,1195 2.559,1196 2.556,1197 2.657,1198 2.377,1199 2.339,1200 3.347,1201 2.333,1202 2.468,1203 2.569,1204 2.259,1205 2.262,1206 3.285,1207 2.252,1208 0.231,1209 0.168,1210 0.342,1211 0.212,1212 0.16,1213 4.382,1214 0.21,1215 3.192,1217 6.506,1218 0.537,1219 4.022,1220 0.158,1221 3.032,1222 3.983,1224 10.196,1225 3.001,1226 1.978,1227 1.947,1228 2.096,1229 2.078,1230 1.35,1231 2.086,1232 1.64,1233 1.577,1234 1.827,1235 1.854,1236 1.083,1237 1.848,1238 1.472,1239 1.415,1240 1.693,1241 1.633,1242 0.806,1243 1.656,1244 1.31,1245 1.244,1246 1.509,1247 1.527,1248 0.597,1249 1.52,1250 1.171,1251 1.098,1252 1.384,1253 1.386,1254 0.395,1255 1.404,1256 0.818,1257 0.735,1258 1.144,1259 1.048,1260 0.271,1261 1.085,1262 0.706,1263 0.645,1264 0.998,1265 0.882,1266 0.147,1267 0.926,1268 0.487,1269 0.388,1270 0.865,1271 0.766,1273 0.804,1274 3.664,1276 4.934,1277 2.398,1278 6.412,1279 4.443,1280 7.989,1281 6.26,1282 9.619,1290 4.225,1300 20.225,1301 43.339,1302 105.594,1303 138.49,1304 152,1305 152,1306 152,1307 15.765,1308 6.328,1309 30.71,1310 30.71,1311 17,1312 11.853,1313 3.7,1314 2.907,1315 23.77,1316 45,1317 39,1318 0.258,1319 125.702,1320 209.04,1321 298.472,1322 4196,1324 11.502,1325 0.677,1326 0.571,1327 11.502,1328 9.712,1329 8.433,1330 0.444,1331 0.317,1332 5.962,1333 8.186,1334 5.841,1335 4.831,1336 8.433,1337 6.024,1338 7.127,1339 0.285,1340 0.173,1341 7.127,1342 4.316,1343 6.144,1344 0.186,1345 0.097,1346 6.144,1347 3.207,1348 5.179,1349 0.123,1350 0.055,1351 5.179,1352 2.328,1353 3.794,1354 0.081,1355 0.033,1356 3.794,1357 1.556,1358 0.394,1359 52.162,1360 0.273,1361 17.175,1362 0.73,1363 88,1364 212.935,1365 93.245,1366 212.609,1367 299.51,1368 202,1369 102,1370 225.394,1371 107.856,1372 230.776,1373 332.78,1374 218,1375 6.538} {0 CHEMBL293362,1 1.568,2 13.867,3 2.156,4 4.648,5 114.126,6 7.74,7 0.364,8 4.054,9 4.165,10 3.656,11 3.602,12 5.203,13 3.595,14 4.573,15 4.734,16 3.991,17 3.976,18 5.698,19 3.948,20 4.811,21 5.006,22 4.08,23 4.103,24 5.932,25 4.059,26 4.855,27 5.068,28 3.974,29 4.039,30 6.017,31 3.98,32 4.776,33 4.996,34 3.874,35 3.961,36 5.906,37 3.886,38 4.696,39 4.916,40 3.783,41 3.865,42 5.915,43 3.785,44 4.626,45 4.86,46 3.615,47 3.755,48 5.692,49 3.677,50 4.481,51 4.698,52 3.565,53 3.664,54 5.578,55 3.596,56 0.037,57 0.76,58 9.653,59 4.544,60 7.899,61 5.696,62 0.297,63 1.214,64 18.755,65 7.446,66 25.639,67 9.639,68 0.251,69 1.467,70 25.488,71 9.67,72 38.574,73 12.842,74 0.52,75 1.467,76 28.386,77 9.665,78 67.971,79 12.748,80 0.511,81 1.323,82 26.575,83 9.487,84 61.894,85 12.773,86 0.479,87 1.234,88 24.384,89 8.735,90 80.574,91 11.855,92 0.406,93 1.149,94 23.417,95 7.595,96 54.475,97 10.14,98 0.251,99 0.991,100 19.469,101 6.916,102 38.068,103 9.173,104 11,105 45,106 0.259,107 0.648,108 0.834,109 0.903,110 0.903,111 0.903,112 3.44,113 0.893,114 -3.54,115 -3.52,116 -3.35,118 44.2,120 3,123 1,124 1,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 9,171 2,172 12,175 1,177 2,180 7,186 11,191 2,194 5,197 2,198 8,201 1,203 2,206 6,209 3,210 5,215 1,218 8,221 2,222 3,225 2,227 2,229 6,234 5,237 1,239 2,242 4,247 6,252 1,255 4,258 2,259 6,262 1,264 1,267 5,270 1608,271 20.646,272 20.646,273 20.646,274 20.646,275 20.646,276 18.491,277 26.305,278 12.356,279 21.058,280 16.238,281 16.238,282 16.238,283 16.238,284 16.238,285 12.723,286 29.068,287 5.834,288 16.774,289 4.133,290 1.786,291 0.661,292 0.245,293 0.245,294 0.245,295 4.14,299 1,300 1,301 907,302 3.606,306 323.932,310 238.01,313 2.218,314 32.36,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 65,326 416,327 4.553,328 3.806,329 6.788,330 4.203,331 3.235,332 4.139,333 1.257,334 11.128,335 3.134,336 4.184,337 3.548,338 6.129,339 3.802,340 2.807,341 3.622,342 1.058,343 8.951,344 2.793,345 3.897,346 2.909,347 5.878,348 3.513,349 2.527,350 3.444,351 0.86,352 8.041,353 2.498,354 3.846,355 2.892,356 5.34,357 3.48,358 2.515,359 3.177,360 0.78,361 6.965,362 2.407,363 3.549,364 2.718,365 5.284,366 3.113,367 2.16,368 2.802,369 0.219,370 6.468,371 2.065,372 3.428,373 2.495,374 5.22,375 3.051,376 2.083,377 2.652,379 6.338,380 1.987,381 2.988,382 1.946,383 4.257,384 2.726,385 1.751,386 2.121,388 4.032,389 1.706,390 2.93,391 1.802,392 4.144,393 2.476,394 1.51,395 1.958,397 3.425,398 1.455,399 2.733,400 1.566,401 3.736,402 2.271,403 1.275,404 1.73,406 3.314,407 1.264,408 2.574,409 1.529,410 3.547,411 2.233,412 1.25,413 1.54,415 2.818,416 1.225,417 2.5,418 1.307,419 3.496,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.428,427 1.12,428 3.247,429 1.805,430 0.799,431 1.186,433 1.948,434 0.796,435 1.877,436 1.033,437 3.105,438 1.669,439 0.671,440 0.769,442 1.463,443 0.665,444 1.786,445 1,446 2.958,447 1.451,448 0.559,449 0.633,451 0.986,452 0.491,453 1.577,454 0.635,455 2.754,456 1.031,457 0.067,458 0.09,460 0.15,461 0.064,462 14.1,463 0.47,464 0.606,465 0.02,466 40.25,467 1.342,468 20.5,469 0.683,470 19.75,471 0.658,472 22.896,473 0.763,474 31.5,475 0.606,476 30.836,477 1.028,478 8.069,479 0.269,480 6.583,481 0.219,482 0.083,484 0.312,487 0.727,488 1.338,489 0.733,490 1.091,491 0.543,492 0.94,493 0.849,494 1.066,495 0.867,496 0.954,497 0.608,498 0.919,499 0.945,500 1.181,501 0.876,502 1.054,503 0.838,504 0.967,505 1.202,506 0.945,507 1.071,508 0.967,509 1.396,510 0.986,511 0.932,512 0.966,513 0.96,514 0.986,515 1.213,516 0.981,517 0.844,518 1.041,519 0.979,520 1.067,521 1.006,522 1.054,523 1.32,524 0.884,525 1.141,526 0.915,527 1.378,528 0.973,529 1.161,530 1.058,531 1.036,532 1.058,533 1.184,534 1.027,535 5,536 0.087,537 3.111,538 1.625,539 1.893,540 0.931,541 0.504,542 0.373,543 0.308,544 0.192,545 13615,546 36802,547 2.107,548 42.3,549 4,550 12,551 1,552 2,553 1,555 2,558 1.722,559 2,560 3.725,561 -0.349,562 1,563 1,567 81.519,568 1.568,569 3.914,570 5.04,571 5.455,572 5.455,573 5.455,574 3.248,575 4.507,576 4.873,577 3.915,578 1702.93,579 8.47,580 24851.9,582 1,584 1,585 296.423,586 1.295,587 4.851,588 0.152,589 0.004,590 0.069,591 0.034,592 0.046,593 0.025,594 0.015,595 0.013,596 0.011,597 0.007,598 0.377,599 0.33,600 1,601 0.659,602 157.59,603 -0.034,604 -0.197,605 0.054,606 -0.075,607 -0.021,608 -0.01,609 0.041,610 0.025,611 0.017,612 0.027,613 0.035,614 0.015,615 -0.052,616 -0.163,617 0.061,618 -0.069,619 0.029,620 0.003,621 -0.065,622 0.059,623 -0.073,624 -0.014,625 -0.092,626 -0.037,627 0.112,628 -0.008,629 0.04,630 -0.004,631 -0.008,632 0.005,633 0.175,634 -0.076,635 0.018,636 -0.091,637 0.195,638 -0.072,639 -0.189,640 0.104,641 -0.116,642 0.029,643 -0.17,644 -0.015,645 -0.117,646 -0.088,647 -0.042,648 -0.082,649 -0.062,650 -0.05,651 1.903,652 5.895,653 0.667,654 36.72,655 1.007,656 1.122,657 2.311,658 5.339,659 0.678,660 3.526,661 3.829,662 4.111,663 4.357,664 4.644,665 4.727,666 4.86,667 5.004,668 5.136,669 5.106,670 7.979,671 0.653,672 402.49,673 3.526,674 5.056,675 5.905,676 6.774,677 7.644,678 8.524,679 9.405,680 10.293,681 11.182,682 12.076,683 7.7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,722 1,724 52,726 17,727 1,728 33,730 55,731 23,733 11,734 3,735 3,736 7,739 4,740 7,751 3,753 18,754 5,756 5,761 2,763 3,764 1,765 4,769 1,772 22,773 7,774 1,775 7,779 4,781 1,784 0.5,785 3,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 1,840 30,846 4,847 1,848 1,851 1,862 5.8,865 2,867 1,869 15,870 9.683,871 6.722,872 3.136,874 3.22,875 1.408,876 0.989,877 6.057,878 11.112,879 3.807,880 4.344,881 4.913,882 5.434,883 5.989,884 6.244,885 6.613,886 6.994,887 7.404,888 7.621,889 1,890 48,891 11.114,893 4.739,894 7.811,895 21.026,897 17.052,899 2.311,900 69.333,904 247.193,905 143.362,906 54.706,908 61.29,911 143.362,912 308.483,913 54.706,914 10.883,915 39.892,916 66.334,917 102.355,918 63.437,919 11.771,920 211.88,922 247.193,923 198.069,924 61.29,927 223.651,928 84.832,931 65.725,932 96.606,933 35.738,935 247.193,936 115.996,937 143.362,940 247.193,941 39.003,942 107.483,943 18.011,944 94.861,945 247.193,946 115.996,947 143.362,949 0.572,950 0.339,951 0.18,952 0.102,953 21,954 9,955 0.127,956 7,957 2,958 1.2,959 4.288,960 258.971,961 0.2,962 20,963 145.207,968 20.056,969 9.06,970 4.524,972 115.996,973 12.764,974 4.102,978 2.807,980 18.011,981 506.551,982 44,987 25.415,989 4.902,990 4.5,991 0.461,994 52.342,995 58.358,996 0.275,997 0.687,998 0.884,999 0.957,1000 0.957,1001 0.957,1002 5.037,1003 1.51,1004 5.872,1005 4.032,1006 4.511,1007 5.03,1008 2.202,1009 6.668,1010 4.454,1011 6.226,1012 1.275,1013 7.42,1014 3.425,1015 4.007,1016 4.691,1017 0.325,1018 7.542,1019 3.94,1020 7.52,1021 1.25,1022 9.071,1023 3.314,1024 6.084,1025 7.142,1026 2.265,1027 10.661,1028 5.975,1029 8.849,1030 1,1031 10.784,1032 2.818,1033 6.431,1034 7.627,1035 0.766,1036 12.381,1037 6.309,1038 10.212,1039 0.799,1040 12.539,1041 2.136,1042 7.945,1043 9.526,1044 2.418,1045 15.024,1046 7.786,1047 11.598,1048 0.671,1049 14.321,1050 1.948,1051 8.701,1052 10.414,1053 1.259,1054 17.11,1055 8.525,1056 13.002,1057 0.559,1058 16.124,1059 1.463,1060 9.985,1061 12.064,1062 2.637,1063 19.593,1064 9.776,1065 3.235,1066 0.067,1067 17.943,1068 0.986,1069 10.945,1070 13.173,1071 1.765,1072 21.848,1073 10.712,1074 2.807,1075 11.128,1076 19.775,1077 0.15,1078 12.138,1079 14.699,1080 2.909,1081 24.276,1082 11.874,1083 2.527,1084 8.951,1085 21.618,1086 4.139,1087 13.2,1088 15.935,1089 2.27,1090 26.609,1091 12.906,1092 2.515,1093 8.041,1094 23.47,1095 3.622,1096 14.362,1097 17.399,1098 3.223,1099 29.02,1100 14.036,1101 2.16,1102 6.965,1103 25.329,1104 3.444,1105 15.473,1106 18.707,1107 2.771,1108 31.391,1109 15.116,1110 2.083,1111 6.468,1112 27.195,1113 3.177,1114 16.628,1115 20.141,1116 3.57,1117 33.796,1118 16.237,1119 1.751,1120 6.338,1121 29.067,1122 2.802,1123 17.765,1124 21.493,1125 3.266,1126 36.185,1127 17.34,1128 12835,1129 21287,1130 22.364,1131 35.239,1132 49.699,1133 51.068,1134 49.948,1135 48.379,1136 48.418,1137 62.725,1138 8.348,1139 136.326,1140 47.006,1141 5.489,1142 5.806,1143 6.59,1144 5.276,1145 5.235,1146 7.139,1147 2.38,1148 18.666,1149 5.134,1150 12.441,1151 1.506,1152 1.548,1153 1.514,1154 1.466,1155 1.467,1156 1.901,1157 0.253,1158 4.131,1159 1.424,1160 4.038,1161 4.066,1162 4.009,1163 3.929,1164 7.431,1165 3.943,1166 3.901,1167 3.945,1168 3.826,1169 3.804,1170 7.425,1171 3.803,1172 3.787,1173 3.816,1174 3.736,1175 3.685,1176 4.922,1177 3.693,1178 3.622,1179 3.687,1180 3.495,1181 3.471,1182 4.889,1183 3.463,1184 3.384,1185 3.427,1186 3.301,1187 3.162,1188 4.688,1189 3.193,1190 3.249,1191 3.311,1192 3.145,1193 3.037,1194 4.352,1195 3.055,1196 3.163,1197 3.198,1198 3.046,1199 2.954,1200 4.184,1201 2.962,1202 3.069,1203 3.132,1204 2.907,1205 2.889,1206 3.978,1207 2.885,1208 0.138,1209 0.115,1210 0.206,1211 0.127,1212 0.098,1213 4.553,1214 0.125,1215 3.806,1216 0.038,1217 6.788,1218 0.337,1219 4.203,1220 0.095,1221 3.235,1222 4.139,1223 1.257,1224 11.128,1225 3.134,1226 1.961,1227 1.939,1228 2.04,1229 2.089,1230 1.324,1231 2.069,1232 1.88,1233 1.84,1234 2.022,1235 2.006,1236 1.13,1237 2.017,1238 1.753,1239 1.728,1240 1.877,1241 1.892,1242 1.006,1243 1.887,1244 1.616,1245 1.553,1246 1.819,1247 1.79,1248 0.929,1249 1.804,1250 1.292,1251 1.246,1252 1.57,1253 1.562,1254 0.686,1255 1.555,1256 1.202,1257 1.14,1258 1.518,1259 1.477,1260 0.575,1261 1.497,1262 1.091,1263 1.049,1264 1.264,1265 1.318,1266 0.329,1267 1.297,1268 1.056,1269 0.998,1270 1.246,1271 1.257,1272 0.289,1273 1.263,1274 4.205,1276 5.509,1278 7.024,1280 8.639,1282 10.312,1284 1.548,1290 3.317,1291 2.914,1292 5.2,1295 1.402,1300 33.971,1301 81.519,1302 203.54,1303 262.058,1304 283.668,1305 283.668,1306 283.668,1307 56.069,1308 7.892,1309 85.59,1310 85.59,1311 24,1312 12.603,1313 4.17,1314 3.585,1315 47.457,1316 142,1317 154,1318 0.159,1319 208.785,1320 376.55,1321 501.196,1322 32793,1324 20.924,1325 0.697,1326 0.556,1327 20.924,1328 16.668,1329 14.652,1330 0.444,1331 0.298,1332 9.683,1333 14.07,1334 9.475,1335 7.879,1336 14.652,1337 9.828,1338 12.722,1339 0.283,1340 0.156,1341 12.722,1342 7.02,1343 11.08,1344 0.185,1345 0.083,1346 11.08,1347 4.978,1348 8.916,1349 0.116,1350 0.043,1351 8.916,1352 3.349,1353 7.545,1354 0.073,1355 0.023,1356 7.545,1357 2.332,1358 0.258,1359 92.083,1360 0.211,1361 29.049,1362 0.413,1363 156,1364 482.475,1365 171.273,1366 463.304,1367 631.48,1368 434,1369 183,1370 461.311,1371 198.803,1372 467.777,1373 682.83,1374 439,1375 6.699} {0 CHEMBL293764,1 1.428,2 17.487,3 6.583,4 43.329,5 151.76,6 6.792,7 0.405,8 4.416,9 4.538,10 3.891,11 3.961,12 5.454,13 3.917,14 4.98,15 5.162,16 4.196,17 4.36,18 6.007,19 4.271,20 5.293,21 5.545,22 4.203,23 4.49,24 6.174,25 4.357,26 5.309,27 5.566,28 4.193,29 4.469,30 6.209,31 4.338,32 5.262,33 5.509,34 4.193,35 4.472,36 6.146,37 4.347,38 5.279,39 5.523,40 4.21,41 4.469,42 6.212,43 4.349,44 5.261,45 5.506,46 4.187,47 4.42,48 6.198,49 4.307,50 5.211,51 5.453,52 4.188,53 4.358,54 6.189,55 4.262,56 0.055,57 1.068,58 17.483,59 7.77,60 11.713,61 10.419,62 0.351,63 1.748,64 32.175,65 13.15,66 51.163,67 18.312,68 0.417,69 2.182,70 45.769,71 17.523,72 66.628,73 24.98,74 0.587,75 2.172,76 47.173,77 17.176,78 75.689,79 24.627,80 0.373,81 2.128,82 44.373,83 16.728,84 59.736,85 23.833,86 0.404,87 2.167,88 45.333,89 16.478,90 68.433,91 23.586,92 0.435,93 2.124,94 44.82,95 15.47,96 67.28,97 22.366,98 0.511,99 2.004,100 42.94,101 14.433,102 61.63,103 20.715,104 16,105 54,106 0.219,107 0.524,108 0.7,109 0.831,110 0.877,111 0.888,112 3.692,113 1.019,114 -5.47,115 -5.35,116 -4.99,118 41,120 12,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 11,215 3,218 18,219 1,222 13,227 5,229 13,230 1,234 12,239 5,242 9,243 2,246 2,247 13,252 5,255 7,256 3,259 12,260 1,264 5,267 6,268 3,270 3690,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 11.506,278 16.701,279 26.956,280 20.813,281 20.813,282 20.813,283 20.813,284 20.813,285 17.065,286 7.585,287 8.029,288 21.047,289 4.858,290 2.86,291 1.711,292 0.859,293 0.558,294 0.487,295 4.39,301 1445,302 4.69,305 124.153,306 464.387,313 2.885,314 35.836,317 0.5,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.7,325 83.5,326 682,327 4.435,328 3.596,329 6.52,330 4.061,331 3.067,332 4.091,333 2.341,334 10.273,335 3.049,336 4.289,337 3.562,338 6.242,339 3.907,340 2.922,341 3.87,342 1.058,343 9.387,344 2.871,345 3.953,346 3.063,347 5.908,348 3.595,349 2.596,350 3.453,352 8.201,353 2.585,354 3.612,355 2.809,356 5.34,357 3.521,358 2.521,359 3.009,361 6.965,362 2.521,363 3.55,364 2.522,365 5.232,366 3.24,367 2.235,368 2.71,370 6.337,371 2.222,372 3.522,373 2.259,374 4.659,375 3.172,376 2.185,377 2.54,379 5.184,380 2.155,381 3.27,382 2.027,383 4.528,384 2.818,385 1.838,386 2.52,388 4.625,389 1.798,390 2.966,391 1.866,392 4.159,393 2.705,394 1.712,395 2.104,397 3.845,398 1.698,399 2.758,400 1.798,401 3.934,402 2.588,403 1.589,404 1.821,406 3.457,407 1.583,408 2.718,409 1.54,410 3.714,411 2.461,412 1.479,413 1.744,415 3.169,416 1.451,417 2.653,418 1.499,419 3.633,420 2.362,421 1.369,422 1.675,424 3.048,425 1.357,426 2.5,427 1.307,428 3.498,429 2.201,430 1.207,431 1.5,433 2.715,434 1.198,435 2.459,436 1.253,437 3.457,438 2,439 1,440 1.455,442 2.397,443 1,444 2.392,445 1.044,446 3.372,447 1.999,448 1,449 1.297,451 2.282,452 0.995,453 2.333,454 1.002,455 3.266,456 1.955,457 1,458 1.243,460 2.136,461 0.953,462 18.533,463 0.475,464 0.661,465 0.017,466 44.25,467 1.135,468 20.5,469 0.526,470 23.75,471 0.609,472 40.375,473 1.035,474 43.267,475 0.555,476 35.185,477 0.902,478 7.932,479 0.203,480 11.166,481 0.286,482 0.054,484 0.243,487 0.757,488 1.262,489 0.885,490 1.142,491 0.623,492 1.047,493 0.568,494 1.21,495 0.979,496 1.184,497 0.427,498 1.144,499 0.689,500 0.985,501 0.893,502 0.995,503 0.706,504 0.977,505 0.825,506 0.924,507 0.907,508 0.913,509 0.812,510 0.92,511 0.836,512 1.002,513 0.929,514 0.976,515 0.781,516 0.967,517 0.953,518 1.061,519 0.98,520 1.007,521 0.832,522 0.997,523 1.074,524 1.075,525 1.012,526 0.998,527 0.925,528 0.989,529 1.155,530 0.97,531 0.979,532 0.934,533 0.896,534 0.923,535 5.5,536 0.229,537 3.333,538 1.625,539 1.224,540 0.903,541 0.58,542 0.411,543 0.478,544 0.347,545 27833,546 63591,547 2.082,548 50,549 21,550 9,551 1,552 2,553 2,554 2,555 2,558 1.792,559 2,560 4.037,561 0.085,567 111.376,568 1.428,569 3.425,570 4.574,571 5.426,572 5.728,573 5.798,574 3.573,575 4.926,576 5.247,577 4.26,578 3156.36,579 9.249,580 58184,585 490.261,586 1.14,587 5.24,588 0.131,589 0.005,590 0.062,591 0.031,592 0.024,593 0.017,594 0.011,595 0.008,596 0.009,597 0.007,598 0.304,599 0.17,600 0.63,601 1.233,602 224.251,603 -0.031,604 -0.052,605 0.036,606 0.004,607 0.002,608 0.025,609 0.17,610 -0.092,611 -0.041,612 -0.108,613 0.186,614 -0.106,615 0.051,616 0.007,617 0.063,618 0.016,619 0.048,620 0.035,621 0.061,622 0.056,623 0.07,624 0.076,625 0.018,626 0.075,627 -0.037,628 0.001,629 0.033,630 0.034,631 -0.042,632 0.042,633 -0.062,634 -0.047,635 -0.005,636 -0.012,637 -0.026,638 -0.002,639 -0.086,640 -0.049,641 -0.021,642 -0.025,643 -0.069,644 -0.014,645 -0.034,646 0.06,647 0.031,648 0.025,649 -0.028,650 0.038,651 2.437,652 5.642,653 0.59,654 64.88,655 0.994,656 1.126,657 4.237,658 17.956,659 0.648,660 3.761,661 4.007,662 4.22,663 4.431,664 4.605,665 4.644,666 4.762,667 4.883,668 4.984,669 5.05,670 9.983,671 0.608,672 529.74,673 3.761,674 5.263,675 6.075,676 6.913,677 7.746,678 8.594,679 9.439,680 10.294,681 11.147,682 12.008,683 3.8,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 78,726 20,727 1,728 42,730 81,731 32,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 12,753 18,754 14,755 1,756 3,761 2,763 1,765 3,772 39,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 39,845 1,846 13,847 1,850 1,862 5.1,864 1,865 2,867 1,869 19.5,870 13.517,871 8.861,872 5.304,874 3.089,875 1.385,876 0.947,877 11.345,878 11.115,879 3.998,880 4.48,881 4.983,882 5.505,883 5.961,884 6.242,885 6.651,886 7.026,887 7.384,888 7.702,889 0.917,890 53,891 14.5,893 6.047,894 7.709,895 28.234,897 23.191,899 2.209,900 86.167,904 435.531,905 154.822,906 51.582,908 102.481,911 154.822,912 538.011,913 51.582,915 50.531,916 78.073,917 160.721,918 43.101,919 11.771,920 400.217,922 435.531,923 206.404,924 102.481,927 411.989,928 126.023,931 76.402,932 86.954,933 43.047,935 435.531,936 154.062,937 154.822,940 435.531,941 58.654,942 96.168,943 18.011,944 136.052,945 435.531,946 154.062,947 154.822,949 0.558,950 0.31,951 0.165,952 0.088,953 21,954 9,955 0.173,956 14,958 1,959 5.126,960 352.268,962 23,963 202.131,968 28.766,969 15.381,970 9.18,972 154.062,973 16.737,974 8.731,976 5.695,978 3.403,980 60.694,981 744.415,982 53.5,987 23.466,989 2.126,991 0.03,994 77.519,995 87.806,996 0.227,997 0.545,998 0.728,999 0.863,1000 0.911,1001 0.922,1002 5.2,1003 1.712,1004 6.004,1005 4.625,1006 4.691,1007 5.168,1008 2.468,1009 6.725,1010 4.67,1011 6.345,1012 1.589,1013 7.499,1014 3.845,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.604,1021 1.479,1022 9.101,1023 3.457,1024 6.184,1025 7.213,1026 3.693,1027 10.568,1028 6.145,1029 8.901,1030 1.369,1031 10.771,1032 3.169,1033 6.399,1034 7.664,1035 4.112,1036 12.23,1037 6.361,1038 10.237,1039 1.207,1040 12.489,1041 3.048,1042 7.964,1043 9.581,1044 5.217,1045 14.808,1046 7.908,1047 11.599,1048 1,1049 14.239,1050 2.715,1051 8.616,1052 10.471,1053 5.889,1054 16.834,1055 8.557,1056 12.983,1057 1,1058 16.013,1059 2.397,1060 9.913,1061 12.124,1062 6.852,1063 19.233,1064 9.84,1065 3.067,1066 1,1067 17.804,1068 2.282,1069 10.787,1070 13.242,1071 7.625,1072 21.413,1073 10.708,1074 2.922,1075 10.273,1076 19.607,1077 2.136,1078 11.964,1079 14.765,1080 8.526,1081 23.75,1082 11.874,1083 2.596,1084 9.387,1085 21.421,1086 4.091,1087 12.95,1088 16.005,1089 9.342,1090 25.998,1091 12.852,1092 2.521,1093 8.201,1094 23.242,1095 3.87,1096 14.077,1097 17.464,1098 10.216,1099 28.313,1100 13.969,1101 2.235,1102 6.965,1103 25.069,1104 3.453,1105 15.119,1106 18.771,1107 11.051,1108 30.593,1109 15.003,1110 2.185,1111 6.337,1112 26.901,1113 3.009,1114 16.226,1115 20.196,1116 11.912,1117 32.903,1118 16.1,1119 1.838,1120 5.184,1121 28.737,1122 2.71,1123 17.297,1124 21.54,1125 12.755,1126 35.199,1127 17.163,1128 26704,1129 40747,1130 28.602,1131 50.54,1132 61.593,1133 62.548,1134 61.727,1135 60.752,1136 60.768,1137 76.432,1138 6.798,1139 160.286,1140 60.095,1141 5.435,1142 5.596,1143 6.322,1144 5.097,1145 5.067,1146 7.091,1147 3.925,1148 17.135,1149 5.049,1150 15.669,1151 1.466,1152 1.489,1153 1.47,1154 1.446,1155 1.447,1156 1.82,1157 0.162,1158 3.816,1159 1.431,1160 4.049,1161 4.073,1162 4.007,1163 3.972,1164 7.474,1165 3.974,1166 3.902,1167 3.957,1168 3.843,1169 3.801,1170 7.429,1171 3.785,1172 3.884,1173 3.912,1174 3.76,1175 3.753,1176 6.351,1177 3.766,1178 3.742,1179 3.784,1180 3.676,1181 3.597,1182 5.149,1183 3.616,1184 3.723,1185 3.772,1186 3.598,1187 3.581,1188 4.915,1189 3.576,1190 3.619,1191 3.677,1192 3.471,1193 3.468,1194 4.663,1195 3.458,1196 3.456,1197 3.491,1198 3.353,1199 3.297,1200 4.309,1201 3.302,1202 3.331,1203 3.4,1204 3.202,1205 3.122,1206 4.238,1207 3.122,1208 0.106,1209 0.086,1210 0.155,1211 0.097,1212 0.073,1213 4.435,1214 0.097,1215 3.596,1216 0.056,1217 6.52,1218 0.245,1219 4.061,1220 0.073,1221 3.067,1222 4.091,1223 2.341,1224 10.273,1225 3.049,1226 1.982,1227 1.961,1228 2.132,1229 2.055,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.797,1239 1.765,1240 1.955,1241 1.911,1242 1.261,1243 1.92,1244 1.717,1245 1.665,1246 1.925,1247 1.886,1248 1.164,1249 1.899,1250 1.676,1251 1.615,1252 1.902,1253 1.88,1254 0.961,1255 1.892,1256 1.484,1257 1.45,1258 1.648,1259 1.687,1260 0.93,1261 1.677,1262 1.427,1263 1.39,1264 1.643,1265 1.629,1266 0.835,1267 1.627,1268 1.255,1269 1.188,1270 1.513,1271 1.483,1272 0.825,1273 1.49,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.686,1281 6.605,1282 10.266,1289 8.898,1290 13.234,1291 2.979,1294 0.869,1300 47.406,1301 111.376,1302 267.176,1303 356.803,1304 423.242,1305 446.752,1306 452.261,1307 89.328,1308 8.026,1309 105.32,1310 105.32,1311 23,1312 12.56,1313 4.392,1314 3.644,1315 70.605,1316 228,1317 263,1318 0.144,1319 292.318,1320 519.14,1321 705.017,1322 41503,1324 27.288,1325 0.7,1326 0.58,1327 27.288,1328 22.61,1329 19.097,1330 0.455,1331 0.34,1332 14.143,1333 18.555,1334 13.893,1335 11.573,1336 19.097,1337 14.268,1338 16.233,1339 0.301,1340 0.192,1341 16.233,1342 10.373,1343 12.917,1344 0.193,1345 0.11,1346 12.917,1347 7.373,1348 10.397,1349 0.125,1350 0.063,1351 10.397,1352 5.248,1353 8.101,1354 0.082,1355 0.037,1356 8.101,1357 3.673,1358 0.236,1359 118.587,1360 0.187,1361 36.274,1362 0.371,1363 192,1364 530.979,1365 207.458,1366 511.925,1367 689.52,1368 478,1369 217,1370 495.286,1371 231.272,1372 500.627,1373 724.41,1374 472,1375 7.721} {0 CHEMBL294353,1 1.369,2 14.5,3 4.831,4 23.338,5 133.302,6 7.04,7 0.486,8 4.245,9 4.351,10 3.76,11 3.819,12 5.314,13 3.782,14 4.791,15 4.941,16 4.067,17 4.202,18 5.852,19 4.134,20 5.076,21 5.283,22 4.091,23 4.33,24 5.995,25 4.222,26 5.133,27 5.363,28 4.039,29 4.318,30 6.013,31 4.196,32 5.137,33 5.374,34 4.033,35 4.325,36 5.99,37 4.198,38 5.126,39 5.375,40 3.991,41 4.306,42 5.96,43 4.168,44 5.087,45 5.329,46 3.934,47 4.257,48 5.937,49 4.119,50 5.055,51 5.304,52 3.889,53 4.202,54 5.898,55 4.071,56 0.039,57 0.825,58 13.906,59 6.617,60 12.53,61 8.419,62 0.282,63 1.364,64 25.82,65 10.984,66 48.557,67 14.178,68 0.41,69 1.742,70 36.235,71 14.57,72 55.992,73 19.372,74 0.446,75 1.814,76 39.301,77 15.188,78 61.74,79 20.379,80 0.357,81 1.838,82 39.309,83 15.397,84 55.369,85 20.883,86 0.381,87 1.837,88 38.96,89 15.166,90 54.159,91 20.954,92 0.324,93 1.746,94 37.422,95 14.665,96 54.502,97 19.998,98 0.408,99 1.673,100 36.865,101 13.877,102 57.663,103 18.878,104 12,105 48,106 0.217,107 0.54,108 0.743,109 0.854,110 0.887,111 0.887,112 3.56,113 0.961,114 -4.67,115 -4.59,116 -4.32,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 7,175 1,177 1,180 23,181 1,185 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,210 7,215 1,218 16,219 1,221 1,222 8,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 8,252 1,255 15,259 5,260 2,267 16,268 1,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 18.279,278 14.589,279 23.807,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.605,286 19.36,287 7,288 18.795,289 4.653,290 2.616,291 1.34,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 28.525,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 72.5,326 493,327 4.249,328 3.597,329 6.705,330 4.105,331 3.144,332 3.889,333 2.341,334 10.882,335 3.019,336 4.231,337 3.486,338 6.143,339 3.868,340 2.869,341 3.592,342 1.151,343 9.054,344 2.867,345 3.813,346 2.958,347 5.734,348 3.473,349 2.504,350 3.304,351 1.151,352 7.706,353 2.429,354 3.694,355 2.809,356 5.323,357 3.369,358 2.379,359 2.899,361 6.892,362 2.349,363 3.559,364 2.559,365 4.659,366 3.241,367 2.235,368 2.722,370 5.184,371 2.222,372 3.269,373 2.174,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.166,382 2.023,383 4.441,384 2.76,385 1.769,386 2.233,388 4.457,389 1.748,390 3.009,391 1.846,392 4.111,393 2.643,394 1.7,395 2.151,397 3.778,398 1.593,399 2.661,400 1.774,401 3.692,402 2.365,403 1.397,404 1.727,406 3.159,407 1.343,408 2.546,409 1.503,410 3.52,411 2.182,412 1.201,413 1.542,415 2.739,416 1.178,417 2.5,418 1.369,419 3.496,420 2.035,421 1.105,422 1.5,424 2.628,425 1.018,426 2.5,427 1.201,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.247,438 2,439 1,440 1.5,442 2.136,443 1,444 2.324,445 1,446 3.247,447 1.955,448 1,449 1.301,451 2.136,452 0.952,453 1.977,454 1,455 3.213,456 1.868,457 0.91,458 0.936,460 1.958,461 0.861,462 16.233,463 0.477,464 0.554,465 0.016,466 41,467 1.206,468 20.5,469 0.603,470 20.5,471 0.603,472 30.967,473 0.911,474 36.567,475 0.563,476 31.173,477 0.917,478 8.214,479 0.242,480 8.49,481 0.25,482 0.041,484 0.246,487 0.797,488 1.134,489 0.842,490 1.076,491 0.734,492 0.983,493 1.014,494 1.117,495 1.053,496 1.109,497 0.609,498 1.089,499 1.006,500 1.063,501 1.052,502 1.072,503 0.885,504 1.071,505 1.112,506 0.959,507 1.041,508 0.984,509 0.789,510 1.002,511 0.994,512 1.01,513 0.998,514 1.002,515 0.619,516 1.003,517 0.818,518 0.947,519 0.963,520 0.973,521 0.605,522 0.983,523 0.946,524 1.039,525 1.021,526 1.048,527 0.782,528 1.046,529 1.12,530 0.884,531 1,532 0.887,533 0.857,534 0.92,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47693,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 88.992,568 1.369,569 3.407,570 4.683,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.88,601 1.437,602 185.955,603 -0.022,604 -0.03,605 0.043,607 -0.044,608 0.025,609 0.005,610 -0.061,611 -0.112,612 -0.08,613 0.099,614 -0.107,615 -0.001,616 -0.072,617 -0.08,618 -0.071,619 -0.06,620 -0.085,621 -0.06,622 0.015,623 -0.048,624 -0.001,625 -0.034,626 -0.021,627 -0.06,628 -0.037,629 -0.017,630 -0.015,631 0.001,632 -0.012,633 0.005,634 0.039,635 0.012,636 0.007,637 -0.002,638 0.011,639 -0.049,640 -0.068,641 -0.043,642 -0.063,643 -0.048,644 -0.054,645 -0.101,646 0.083,647 0.001,648 0.084,649 -0.077,650 0.061,651 2.434,652 3.691,653 0.676,654 47.298,655 0.995,656 1.116,657 3.444,658 11.86,659 0.665,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.627,672 457.61,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 5,774 1,775 5,779 1,784 1,785 4,790 1,795 1,801 1,802 3,818 1,822 2,830 1,831 2,832 4,840 34,845 1,846 6,848 2,850 3,862 6.2,864 1,865 1,866 2,869 16.667,870 11.15,871 7.694,872 3.954,874 2.881,875 1.369,876 0.949,877 8.754,878 10.69,879 3.892,880 4.376,881 4.842,882 5.326,883 5.823,884 5.871,885 6.236,886 6.503,887 6.774,888 7.02,889 0.9,890 47,891 12.598,893 5.265,894 7.686,895 24.409,897 20.044,899 2.186,900 74.333,904 353.133,905 174.261,906 16.786,908 89.828,911 174.261,912 442.961,913 16.786,915 19.323,916 123.191,917 131.066,918 30.837,920 329.591,922 353.133,923 191.047,924 89.828,927 341.362,928 79.599,929 22,931 37.418,932 117.891,933 35.738,935 353.133,936 106.614,937 174.261,940 353.133,941 32.975,942 141.286,944 106.614,945 353.133,946 106.614,947 174.261,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,968 24.034,969 12.384,970 6.949,972 106.614,973 26.484,974 4.262,978 4.602,980 42.683,981 634.008,982 48,987 10.691,989 4.022,991 -0.768,994 64.665,995 72.564,996 0.227,997 0.566,998 0.778,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 2.699,1009 6.632,1010 4.525,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.836,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 3.799,1027 10.535,1028 5.988,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.2,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.339,1044 5.251,1045 14.873,1046 7.746,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.983,1053 5.889,1054 16.982,1055 8.395,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.763,1062 6.861,1063 19.422,1064 9.677,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.658,1071 7.625,1072 21.682,1073 10.546,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.273,1080 8.529,1081 24.073,1082 11.711,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.327,1089 9.342,1090 26.397,1091 12.69,1092 2.379,1093 7.706,1094 23.305,1095 3.592,1096 14.139,1097 16.84,1098 10.217,1099 28.775,1100 13.805,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.997,1107 11.051,1108 31.129,1109 14.839,1110 1.846,1111 5.184,1112 27.019,1113 2.899,1114 16.345,1115 19.446,1116 11.912,1117 33.505,1118 15.935,1119 1.769,1120 4.695,1121 28.884,1122 2.722,1123 17.447,1124 20.67,1125 12.755,1126 35.873,1127 16.995,1128 17770,1129 28527,1130 25.424,1131 43.245,1132 54.414,1133 55.041,1134 54.508,1135 53.81,1136 53.837,1137 68.696,1138 9.285,1139 143.437,1140 52.382,1141 5.2,1142 5.597,1143 6.529,1144 5.206,1145 5.144,1146 6.889,1147 3.925,1148 18.009,1149 5.019,1150 12.033,1151 1.471,1152 1.488,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.251,1158 3.877,1159 1.416,1160 4.03,1161 4.055,1162 3.965,1163 3.969,1164 7.474,1165 3.964,1166 3.952,1167 3.981,1168 3.885,1169 3.854,1170 6.351,1171 3.857,1172 3.778,1173 3.82,1174 3.695,1175 3.701,1176 4.928,1177 3.694,1178 3.76,1179 3.797,1180 3.658,1181 3.66,1182 4.843,1183 3.652,1184 3.676,1185 3.714,1186 3.577,1187 3.529,1188 4.697,1189 3.532,1190 3.462,1191 3.497,1192 3.351,1193 3.264,1194 4.581,1195 3.275,1196 3.206,1197 3.246,1198 3.088,1199 3.049,1200 4.385,1201 3.05,1202 3.111,1203 3.158,1204 2.946,1205 2.887,1206 4.287,1207 2.893,1208 0.115,1209 0.097,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 3.597,1216 0.063,1217 6.705,1218 0.294,1219 4.105,1220 0.082,1221 3.144,1222 3.889,1223 2.341,1224 10.882,1225 3.019,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.385,1231 2.073,1232 1.879,1233 1.845,1234 2.027,1235 1.999,1236 1.216,1237 2.007,1238 1.78,1239 1.748,1240 1.943,1241 1.913,1242 1.155,1243 1.927,1244 1.763,1245 1.72,1246 1.917,1247 1.874,1248 1.015,1249 1.889,1250 1.605,1251 1.562,1252 1.82,1253 1.781,1254 0.993,1255 1.793,1256 1.387,1257 1.346,1258 1.633,1259 1.629,1260 0.906,1261 1.626,1262 1.246,1263 1.21,1264 1.474,1265 1.493,1266 0.651,1267 1.481,1268 1.132,1269 1.085,1270 1.389,1271 1.34,1272 0.588,1273 1.353,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.791,1290 3.567,1292 12.534,1294 0.148,1300 40.783,1301 88.992,1302 221.439,1303 304.381,1304 349.944,1305 363.454,1306 363.454,1307 65.989,1308 7.809,1309 68.65,1310 68.65,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 249.953,1320 445.24,1321 601.645,1322 28907,1324 23.589,1325 0.694,1326 0.566,1327 23.589,1328 19.254,1329 16.704,1330 0.451,1331 0.32,1332 11.73,1333 16.233,1334 11.496,1335 9.506,1336 16.704,1337 11.848,1338 14.205,1339 0.296,1340 0.179,1341 14.205,1342 8.598,1343 11.504,1344 0.189,1345 0.102,1346 11.504,1347 6.203,1348 9.43,1349 0.122,1350 0.057,1351 9.43,1352 4.396,1353 7.501,1354 0.081,1355 0.032,1356 7.501,1357 2.978,1358 0.251,1359 103.692,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 471.001,1365 182.902,1366 450.711,1367 605.6,1368 424,1369 194,1370 422.87,1371 206.572,1372 430.016,1373 622.37,1374 405,1375 7.187} {0 CHEMBL294706,1 1.526,2 14,3 2.738,4 7.499,5 120.707,6 7.42,7 0.353,8 4.113,9 4.236,10 3.679,11 3.668,12 5.225,13 3.645,14 4.648,15 4.83,16 4.027,17 4.062,18 5.723,19 4.014,20 4.911,21 5.12,22 4.12,23 4.211,24 5.982,25 4.141,26 4.993,27 5.232,28 4.016,29 4.158,30 6.087,31 4.071,32 4.875,33 5.109,34 3.909,35 4.067,36 5.914,37 3.977,38 4.804,39 5.03,40 3.868,41 3.962,42 6.02,43 3.88,44 4.728,45 4.966,46 3.681,47 3.861,48 5.812,49 3.778,50 4.566,51 4.783,52 3.624,53 3.803,54 5.626,55 3.711,56 0.009,57 0.843,58 11.107,59 4.892,60 8.007,61 6.555,62 0.255,63 1.354,64 21.206,65 8.242,66 25.347,67 11.438,68 0.14,69 1.641,70 28.948,71 11.089,72 37.246,73 15.476,74 0.495,75 1.665,76 33.916,77 11.273,78 72.74,79 15.823,80 0.271,81 1.479,82 29.653,83 10.511,84 52.522,85 14.618,86 0.488,87 1.385,88 27.728,89 9.237,90 87.169,91 12.935,92 0.472,93 1.285,94 26.324,95 7.856,96 64.938,97 10.837,98 0.17,99 1.107,100 21.064,101 7.773,102 35.062,103 10.717,104 18,105 47,106 0.249,107 0.633,108 0.819,109 0.856,110 0.856,111 0.856,112 3.471,113 0.927,114 -4.3,115 -4.23,116 -4,118 42.9,119 2,120 3,121 1,124 1,133 2,134 1,135 1,140 3,141 3,142 1,143 2,146 1,154 3,168 12,171 3,172 10,175 1,177 2,180 12,186 9,191 2,194 9,197 2,198 12,201 1,203 2,206 8,210 9,215 1,218 7,221 2,222 9,225 2,227 1,229 8,234 3,237 2,239 1,242 7,247 5,252 2,255 8,258 2,259 7,264 2,267 5,270 1746,271 20.982,272 20.982,273 20.982,274 20.982,275 20.982,276 18.852,277 26.843,278 12.496,279 21.284,280 16.778,281 16.778,282 16.778,283 16.778,284 16.778,285 13.302,286 27.358,287 5.961,288 17.227,289 4.281,290 1.927,291 0.79,292 0.563,293 0.563,294 0.563,295 4.169,299 1,300 1,301 942,302 3.873,306 336.958,310 247.429,313 2.258,314 31.611,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66.5,326 434,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.923,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.631,354 3.896,355 2.908,356 5.763,357 3.503,358 2.521,359 3.242,360 0.219,361 7.575,362 2.475,363 3.608,364 2.718,365 5.34,366 3.293,367 2.32,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.993,382 1.953,383 4.257,384 2.722,385 1.753,386 2.121,388 4.036,389 1.697,390 2.934,391 1.803,392 4.15,393 2.456,394 1.513,395 1.966,397 3.43,398 1.424,399 2.733,400 1.566,401 3.823,402 2.275,403 1.289,404 1.731,406 3.318,407 1.264,408 2.579,409 1.538,410 3.734,411 2.252,412 1.268,413 1.55,415 2.956,416 1.245,417 2.5,418 1.311,419 3.538,420 2.195,421 1.206,422 1.5,424 2.808,425 1.189,426 2.472,427 1.251,428 3.496,429 1.917,430 1,431 1.433,433 2.136,434 0.916,435 2.392,436 1.034,437 3.247,438 1.794,439 0.778,440 1.165,442 1.936,443 0.784,444 1.872,445 1,446 3.049,447 1.665,448 0.67,449 0.766,451 1.458,452 0.662,453 1.68,454 0.63,455 2.902,456 1.106,457 0.113,458 0.153,460 0.294,461 0.111,462 14.667,463 0.473,464 0.733,465 0.024,466 40.25,467 1.298,468 20,469 0.645,470 20.25,471 0.653,472 26.463,473 0.854,474 32.733,475 0.585,476 30.561,477 0.986,478 7.618,479 0.246,480 7.407,481 0.239,482 0.114,484 0.334,487 0.682,488 1.377,489 0.774,490 1.106,491 0.542,492 0.974,493 0.624,494 1.018,495 0.833,496 0.956,497 0.544,498 0.924,499 0.83,500 1.213,501 0.874,502 1.122,503 0.775,504 1.024,505 1.211,506 0.876,507 1.023,508 0.912,509 1.301,510 0.935,511 1.163,512 1.022,513 0.986,514 1.022,515 1.262,516 0.989,517 1.123,518 1.049,519 1.043,520 1.039,521 1.195,522 1.035,523 1.761,524 0.753,525 1.282,526 0.824,527 1.744,528 0.953,529 1.109,530 1.109,531 1.075,532 1.145,533 1.145,534 1.114,535 5.5,536 0.103,537 3.556,538 1.75,539 1.933,540 1.104,541 0.565,542 0.432,543 0.329,544 0.248,545 14692,546 37281,547 2.084,548 44.6,549 11,550 7,551 1,552 3,553 1,555 2,558 1.731,559 1.958,560 3.739,561 -0.361,563 1,567 85.467,568 1.526,569 3.881,570 5.017,571 5.245,572 5.245,573 5.245,574 3.26,575 4.632,576 4.92,577 3.943,578 1833.72,579 8.567,580 27397.2,582 1,585 325.212,586 1.383,587 4.888,588 0.162,589 0.004,590 0.076,591 0.035,592 0.045,593 0.028,594 0.016,595 0.014,596 0.011,597 0.009,598 0.4,599 0.17,600 1,601 0.701,602 164.485,603 -0.021,604 -0.202,605 0.053,606 -0.061,607 -0.016,608 -0.006,609 0.16,610 0.091,611 0.067,612 0.046,613 0.077,614 0.041,615 0.009,616 -0.204,617 0.063,618 -0.11,619 0.051,620 -0.03,621 -0.028,622 0.1,623 -0.013,624 0.051,625 -0.06,626 0.028,627 -0.088,628 -0.069,629 0.006,630 -0.03,631 -0.092,632 -0.002,633 0.143,634 -0.068,635 -0.034,636 -0.078,637 0.165,638 -0.082,639 -0.315,640 0.263,641 -0.246,642 0.092,643 -0.265,644 -0.038,645 -0.103,646 -0.128,647 -0.11,648 -0.143,649 -0.062,650 -0.128,651 1.868,652 6.053,653 0.645,654 39.02,655 1,656 1.126,657 3.066,658 9.399,659 0.671,660 3.555,661 3.871,662 4.143,663 4.382,664 4.673,665 4.779,666 4.913,667 5.063,668 5.204,669 5.193,670 8.135,671 0.639,672 415.54,673 3.555,674 5.094,675 5.943,676 6.815,677 7.686,678 8.567,679 9.45,680 10.339,681 11.229,682 12.125,683 8.9,690 2,692 1,693 2,699 6,700 2,704 4,706 12,713 1,724 56,726 17,727 1,728 34,730 59,731 24,733 10,734 3,735 3,736 7,739 4,740 7,745 2,751 3,753 17,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 25,773 7,774 1,775 7,779 5,781 1,784 0.5,785 2,796 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 31,846 4,847 1,850 1,851 1,862 3.6,865 2,869 15.833,870 10.717,871 6.833,872 3.589,874 3.21,875 1.403,876 0.98,877 6.27,878 11.185,879 3.829,880 4.369,881 4.934,882 5.453,883 6.012,884 6.289,885 6.663,886 7.042,887 7.452,888 7.691,889 1,890 50,891 11.502,893 4.906,894 7.763,895 21.935,897 17.972,899 2.263,900 70.167,903 1,904 282.506,905 137.738,906 71.492,908 50.29,911 137.738,912 332.796,913 71.492,914 17.65,915 39.892,916 47.381,917 130.911,918 58.998,919 11.771,920 235.422,922 282.506,923 209.23,924 50.29,927 258.964,928 73.832,931 91.994,932 64.712,933 52.524,935 282.506,936 121.782,937 137.738,940 282.506,941 36.946,942 103.917,943 18.011,944 100.646,945 282.506,946 121.782,947 137.738,949 0.58,950 0.337,951 0.174,952 0.099,953 22,954 10,955 0.119,956 7,957 2,958 1.2,959 4.337,960 271.764,961 0.2,962 20,963 147.58,968 20.991,969 9.26,970 4.744,972 121.782,973 10.907,974 8.004,978 3.395,980 18.011,981 542.026,982 45,987 25.626,989 4.983,990 4.576,991 0.596,994 56,995 63.062,996 0.263,997 0.668,998 0.864,999 0.903,1000 0.903,1001 0.903,1002 5.069,1003 1.513,1004 5.922,1005 4.036,1006 4.554,1007 5.056,1008 2.023,1009 6.725,1010 4.508,1011 6.262,1012 1.289,1013 7.478,1014 3.43,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.558,1021 1.268,1022 9.138,1023 3.318,1024 6.138,1025 7.164,1026 2.145,1027 10.729,1028 6.05,1029 8.889,1030 1.206,1031 10.859,1032 2.956,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.441,1038 10.253,1039 1,1040 12.619,1041 2.808,1042 8.012,1043 9.55,1044 2.343,1045 15.089,1046 7.885,1047 11.64,1048 0.778,1049 14.405,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.656,1056 13.046,1057 0.67,1058 16.211,1059 1.936,1060 10.059,1061 12.091,1062 2.593,1063 19.646,1064 9.89,1065 3.24,1066 0.113,1067 18.031,1068 1.458,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.841,1074 2.839,1075 11.139,1076 19.863,1077 0.294,1078 12.212,1079 14.729,1080 2.884,1081 24.317,1082 11.993,1083 2.644,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.032,1092 2.521,1093 8.244,1094 23.554,1095 3.632,1096 14.431,1097 17.43,1098 3.21,1099 29.052,1100 14.157,1101 2.32,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.238,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.358,1119 1.753,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.462,1128 13912,1129 22336,1130 22.77,1131 37.551,1132 51.942,1133 52.931,1134 51.993,1135 50.48,1136 50.48,1137 64.8,1138 6.628,1139 143.338,1140 49.298,1141 5.494,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 14.78,1151 1.528,1152 1.557,1153 1.529,1154 1.485,1155 1.485,1156 1.906,1157 0.195,1158 4.216,1159 1.45,1160 4.052,1161 4.082,1162 4.018,1163 3.958,1164 7.431,1165 3.967,1166 3.879,1167 3.932,1168 3.809,1169 3.751,1170 7.425,1171 3.756,1172 3.811,1173 3.847,1174 3.753,1175 3.708,1176 5.01,1177 3.715,1178 3.632,1179 3.702,1180 3.515,1181 3.454,1182 4.866,1183 3.457,1184 3.513,1185 3.571,1186 3.376,1187 3.385,1188 4.552,1189 3.374,1190 3.31,1191 3.374,1192 3.194,1193 3.096,1194 4.238,1195 3.117,1196 3.182,1197 3.207,1198 3.119,1199 2.994,1200 4.149,1201 3.016,1202 3.065,1203 3.13,1204 2.924,1205 2.888,1206 3.962,1207 2.887,1208 0.134,1209 0.112,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 3.807,1216 0.037,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.317,1231 2.091,1232 1.838,1233 1.791,1234 2.012,1235 1.997,1236 1.268,1237 2.001,1238 1.785,1239 1.752,1240 1.911,1241 1.92,1242 1.03,1243 1.921,1244 1.6,1245 1.534,1246 1.801,1247 1.81,1248 0.942,1249 1.816,1250 1.521,1251 1.464,1252 1.744,1253 1.682,1254 0.865,1255 1.706,1256 1.243,1257 1.182,1258 1.483,1259 1.502,1260 0.574,1261 1.5,1262 1.099,1263 1.07,1264 1.417,1265 1.32,1266 0.469,1267 1.308,1268 1.041,1269 0.977,1270 1.259,1271 1.251,1272 0.3,1273 1.296,1274 4.234,1276 5.549,1278 7.067,1280 8.684,1282 10.357,1284 4.173,1290 3.212,1291 2.925,1294 0.316,1295 1.455,1300 35.805,1301 85.467,1302 217.324,1303 280.947,1304 293.702,1305 293.702,1306 293.702,1307 60.684,1308 7.975,1309 89.25,1310 89.25,1311 24,1312 12.651,1313 4.17,1314 3.585,1315 49.835,1316 150,1317 164,1318 0.159,1319 221.176,1320 396.06,1321 531.429,1322 36052,1324 21.794,1325 0.703,1326 0.571,1327 21.794,1328 17.707,1329 15.025,1330 0.442,1331 0.309,1332 10.388,1333 14.529,1334 10.097,1335 8.443,1336 15.025,1337 10.509,1338 13.452,1339 0.286,1340 0.169,1341 13.452,1342 7.954,1343 11.378,1344 0.184,1345 0.086,1346 11.378,1347 5.352,1348 9.094,1349 0.115,1350 0.045,1351 9.094,1352 3.533,1353 7.661,1354 0.072,1355 0.023,1356 7.661,1357 2.467,1358 0.258,1359 93.704,1360 0.21,1361 29.82,1362 0.413,1363 162,1364 464.384,1365 175.837,1366 453.954,1367 621.46,1368 424,1369 190,1370 458.878,1371 204.644,1372 467.651,1373 682.7,1374 439,1375 6.699} {0 CHEMBL294850,1 1.417,2 17.487,3 6.36,4 40.448,5 152.468,6 6.647,7 0.286,8 4.439,9 4.563,10 3.895,11 3.976,12 5.444,13 3.928,14 5.021,15 5.207,16 4.203,17 4.381,18 6.016,19 4.288,20 5.338,21 5.593,22 4.214,23 4.515,24 6.207,25 4.378,26 5.338,27 5.596,28 4.2,29 4.489,30 6.228,31 4.354,32 5.305,33 5.555,34 4.201,35 4.503,36 6.16,37 4.37,38 5.342,39 5.596,40 4.218,41 4.507,42 6.235,43 4.376,44 5.316,45 5.569,46 4.195,47 4.457,48 6.217,49 4.333,50 5.269,51 5.519,52 4.196,53 4.398,54 6.205,55 4.29,56 0.062,57 1.1,58 18.39,59 8.058,60 11.527,61 10.936,62 0.389,63 1.81,64 34.175,65 13.609,66 54.265,67 19.145,68 0.476,69 2.253,70 48.148,71 17.934,72 68.573,73 25.778,74 0.615,75 2.214,76 48.605,77 17.434,78 77.029,79 25.203,80 0.383,81 2.199,82 46.332,83 17.39,84 58.941,85 25.007,86 0.428,87 2.267,88 48.43,89 17.463,90 69.744,91 25.338,92 0.453,93 2.209,94 47.475,95 16.299,96 67.87,97 23.895,98 0.53,99 2.087,100 45.613,101 15.276,102 62.648,103 22.251,104 16,105 54,106 0.217,107 0.517,108 0.708,109 0.835,110 0.88,111 0.89,112 3.692,113 1.037,114 -5.27,115 -5.16,116 -4.83,118 40,120 12,121 1,124 2,126 1,133 1,134 1,140 6,141 3,143 2,154 3,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 11,215 3,218 18,219 1,222 13,227 5,229 13,230 1,234 12,239 5,242 9,243 2,246 2,247 13,252 5,255 7,256 3,259 12,260 1,264 5,267 6,268 3,270 3690,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.654,277 15.777,278 16.701,279 27.072,280 20.813,281 20.813,282 20.813,283 20.813,284 20.813,285 17.518,286 12.218,287 8.029,288 21.239,289 4.905,290 2.94,291 1.693,292 0.863,293 0.569,294 0.5,295 4.39,300 1,301 1445,302 4.69,305 124.153,306 464.387,313 2.885,314 36.881,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 83.5,326 682,327 4.423,328 3.762,329 6.52,330 4.054,331 3.067,332 4.027,333 2.341,334 10.273,335 3.037,336 4.222,337 3.596,338 6.242,339 3.887,340 2.922,341 3.677,342 1.96,343 9.387,344 2.81,345 3.888,346 3.249,347 5.908,348 3.589,349 2.596,350 3.231,351 1.307,352 8.201,353 2.569,354 3.611,355 3.007,356 5.34,357 3.521,358 2.521,359 2.949,360 0.451,361 6.965,362 2.521,363 3.55,364 2.522,365 5.232,366 3.24,367 2.235,368 2.71,369 0.133,370 6.337,371 2.222,372 3.521,373 2.365,374 4.659,375 3.161,376 2.185,377 2.522,379 5.184,380 2.128,381 3.251,382 2.086,383 4.528,384 2.805,385 1.838,386 2.478,388 4.625,389 1.773,390 2.899,391 1.925,392 4.159,393 2.703,394 1.712,395 1.998,397 3.845,398 1.695,399 2.757,400 1.803,401 3.934,402 2.578,403 1.589,404 1.8,406 3.457,407 1.562,408 2.71,409 1.636,410 3.714,411 2.46,412 1.479,413 1.726,415 3.169,416 1.448,417 2.633,418 1.499,419 3.633,420 2.352,421 1.369,422 1.656,424 3.048,425 1.341,426 2.5,427 1.478,428 3.498,429 2.198,430 1.207,431 1.5,433 2.715,434 1.194,435 2.44,436 1.325,437 3.457,438 2,439 1,440 1.431,442 2.397,443 1,444 2.391,445 1.306,446 3.372,447 1.999,448 1,449 1.293,451 2.282,452 0.995,453 2.222,454 1.11,455 3.266,456 1.955,457 1,458 1.106,460 2.136,461 0.953,462 18.533,463 0.475,464 0.661,465 0.017,466 41.75,467 1.071,468 18,469 0.462,470 23.75,471 0.609,472 42.378,473 1.087,474 43.867,475 0.548,476 33.183,477 0.851,478 7.448,479 0.191,480 11.649,481 0.299,482 0.054,484 0.243,487 0.757,488 1.291,489 0.907,490 1.173,491 0.632,492 1.076,493 0.639,494 1.215,495 1.014,496 1.188,497 0.464,498 1.155,499 0.789,500 0.983,501 0.934,502 0.992,503 0.79,504 0.985,505 0.876,506 0.936,507 0.934,508 0.925,509 0.875,510 0.935,511 0.819,512 1.024,513 0.941,514 1.001,515 0.762,516 0.989,517 0.911,518 1.056,519 0.966,520 1.007,521 0.793,522 0.994,523 1.035,524 1.079,525 1.006,526 1.008,527 0.889,528 0.997,529 1.109,530 0.979,531 0.974,532 0.948,533 0.859,534 0.935,535 5.5,536 0.229,537 3.333,538 1.625,539 1.224,540 0.903,541 0.58,542 0.411,543 0.478,544 0.347,545 27833,546 62005,547 2.082,548 51.3,549 21,550 12,552 2,553 2,554 2,555 2,558 1.792,559 2,560 4.037,561 0.085,567 113.34,568 1.417,569 3.382,570 4.629,571 5.459,572 5.753,573 5.822,574 3.573,575 4.926,576 5.247,577 4.26,578 3156.36,579 9.249,580 58184,585 505.754,586 1.14,587 5.24,588 0.131,589 0.005,590 0.062,591 0.031,592 0.024,593 0.017,594 0.011,595 0.008,596 0.009,597 0.007,598 0.304,599 0.17,600 0.75,601 1.233,602 224.251,603 -0.028,604 -0.053,605 0.037,606 0.004,607 -0.003,608 0.025,609 0.148,610 -0.081,611 -0.056,612 -0.102,613 0.158,614 -0.107,615 0.021,616 0.018,617 0.031,618 0.015,619 0.014,620 0.021,621 0.046,622 0.053,623 0.046,624 0.066,625 0.003,626 0.058,627 -0.034,628 -0.015,629 0.02,630 0.016,631 -0.036,632 0.024,633 -0.048,634 -0.047,635 0.007,636 -0.01,637 -0.012,638 0.004,639 -0.073,640 -0.057,641 -0.016,642 -0.031,643 -0.055,644 -0.017,645 -0.022,646 0.045,647 0.033,648 0.015,649 -0.015,650 0.032,651 2.432,652 5.71,653 0.59,654 64.88,655 0.993,656 1.128,657 4.042,658 16.337,659 0.641,660 3.761,661 4.007,662 4.22,663 4.431,664 4.605,665 4.644,666 4.762,667 4.883,668 4.984,669 5.05,670 9.983,671 0.599,672 531.76,673 3.761,674 5.263,675 6.075,676 6.913,677 7.746,678 8.594,679 9.439,680 10.294,681 11.147,682 12.008,683 3.8,690 1,692 1,693 1,699 8,700 1,704 3,706 12,724 80,726 16,727 1,728 42,730 83,731 32,733 11,734 2,735 4,736 3,739 4,740 4,748 6,749 1,751 13,753 16,754 16,755 1,756 4,761 2,763 1,764 1,765 4,772 41,773 7,774 2,775 7,779 3,784 1,785 4,795 1,801 1,802 3,816 1,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 14,847 1,848 1,850 2,862 5,864 1,865 2,867 1,869 19.5,870 13.767,871 8.861,872 5.453,874 2.5,875 1.311,876 0.938,877 11.589,878 10.526,879 3.97,880 4.419,881 4.875,882 5.355,883 5.827,884 6.039,885 6.444,886 6.76,887 7.06,888 7.325,889 0.917,890 53,891 14.541,893 6.085,894 7.688,895 28.435,897 23.532,899 2.188,900 85.333,904 459.073,905 144.712,906 51.582,908 103.973,911 144.712,912 563.046,913 51.582,915 55.123,916 66.334,917 143.73,918 58.623,920 435.531,922 459.073,923 196.294,924 103.973,927 435.531,928 127.515,931 90.004,932 80.029,933 26.262,935 459.073,936 155.555,937 144.712,940 459.073,941 60.284,942 84.429,943 18.011,944 137.544,945 459.073,946 155.555,947 144.712,949 0.558,950 0.31,951 0.165,952 0.088,953 21,954 9,955 0.169,956 14,958 1,959 5.126,960 352.268,962 23,963 202.131,968 29.019,969 15.575,970 9.319,972 155.555,973 15.463,974 4.276,978 2.815,980 60.694,981 759.34,982 52,987 23.539,989 2.139,990 4.602,991 0.678,994 79.403,995 90.221,996 0.224,997 0.535,998 0.732,999 0.864,1000 0.91,1001 0.921,1002 5.182,1003 1.712,1004 6.004,1005 4.625,1006 4.691,1007 5.106,1008 2.991,1009 6.725,1010 4.653,1011 6.314,1012 1.589,1013 7.499,1014 3.845,1015 4.007,1016 4.62,1017 2.591,1018 7.466,1019 3.97,1020 7.569,1021 1.479,1022 9.101,1023 3.457,1024 6.184,1025 7.091,1026 4.15,1027 10.568,1028 6.112,1029 8.86,1030 1.369,1031 10.771,1032 3.169,1033 6.399,1034 7.491,1035 4.414,1036 12.23,1037 6.318,1038 10.189,1039 1.207,1040 12.489,1041 3.048,1042 7.964,1043 9.4,1044 5.558,1045 14.808,1046 7.858,1047 11.544,1048 1,1049 14.239,1050 2.715,1051 8.616,1052 10.229,1053 6.123,1054 16.834,1055 8.496,1056 12.921,1057 1,1058 16.013,1059 2.397,1060 9.913,1061 11.887,1062 7.091,1063 19.233,1064 9.773,1065 3.067,1066 1,1067 17.804,1068 2.282,1069 10.787,1070 12.949,1071 7.8,1072 21.413,1073 10.63,1074 2.922,1075 10.273,1076 19.607,1077 2.136,1078 11.964,1079 14.477,1080 8.693,1081 23.75,1082 11.789,1083 2.596,1084 9.387,1085 21.421,1086 4.027,1087 12.95,1088 15.671,1089 9.471,1090 25.998,1091 12.758,1092 2.521,1093 8.201,1094 23.242,1095 3.677,1096 14.077,1097 17.131,1098 10.333,1099 28.313,1100 13.868,1101 2.235,1102 6.965,1103 25.069,1104 3.231,1105 15.119,1106 18.402,1107 11.144,1108 30.593,1109 14.893,1110 2.185,1111 6.337,1112 26.901,1113 2.949,1114 16.226,1115 19.824,1116 11.994,1117 32.903,1118 15.985,1119 1.838,1120 5.184,1121 28.737,1122 2.71,1123 17.297,1124 21.14,1125 12.822,1126 35.199,1127 17.041,1128 26704,1129 40219,1130 28.602,1131 51.302,1132 61.504,1133 62.733,1134 61.727,1135 60.683,1136 60.768,1137 74.054,1138 12.386,1139 160.286,1140 59.513,1141 5.423,1142 5.762,1143 6.322,1144 5.112,1145 5.067,1146 7.027,1147 3.925,1148 17.135,1149 5.037,1150 15.669,1151 1.464,1152 1.494,1153 1.47,1154 1.445,1155 1.447,1156 1.763,1157 0.295,1158 3.816,1159 1.417,1160 4.034,1161 4.063,1162 3.981,1163 3.967,1164 7.474,1165 3.966,1166 3.903,1167 3.957,1168 3.802,1169 3.802,1170 7.428,1171 3.784,1172 3.854,1173 3.89,1174 3.759,1175 3.739,1176 6.351,1177 3.745,1178 3.738,1179 3.785,1180 3.658,1181 3.589,1182 4.958,1183 3.591,1184 3.724,1185 3.773,1186 3.598,1187 3.57,1188 4.885,1189 3.575,1190 3.605,1191 3.666,1192 3.455,1193 3.454,1194 4.615,1195 3.445,1196 3.458,1197 3.492,1198 3.353,1199 3.298,1200 4.309,1201 3.303,1202 3.321,1203 3.393,1204 3.189,1205 3.116,1206 4.235,1207 3.114,1208 0.105,1209 0.09,1210 0.155,1211 0.097,1212 0.073,1213 4.423,1214 0.096,1215 3.762,1216 0.056,1217 6.52,1218 0.245,1219 4.054,1220 0.072,1221 3.067,1222 4.027,1223 2.341,1224 10.273,1225 3.037,1226 1.982,1227 1.96,1228 2.132,1229 2.055,1230 1.536,1231 2.08,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.798,1239 1.765,1240 1.955,1241 1.914,1242 1.262,1243 1.922,1244 1.717,1245 1.665,1246 1.928,1247 1.887,1248 1.165,1249 1.902,1250 1.682,1251 1.62,1252 1.902,1253 1.885,1254 1.004,1255 1.894,1256 1.523,1257 1.474,1258 1.721,1259 1.723,1260 0.959,1261 1.731,1262 1.425,1263 1.387,1264 1.643,1265 1.627,1266 0.909,1267 1.626,1268 1.27,1269 1.19,1270 1.58,1271 1.494,1272 0.835,1273 1.526,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.686,1281 6.605,1282 10.266,1289 8.903,1290 13.659,1291 3.047,1292 5.857,1294 0.357,1300 47.933,1301 113.34,1302 270.534,1303 370.296,1304 436.735,1305 460.244,1306 465.754,1307 92.19,1308 8.026,1309 100.88,1310 100.88,1311 23,1312 12.56,1313 4.087,1314 3.459,1315 70.605,1316 228,1317 263,1318 0.144,1319 295.246,1320 532.68,1321 712.159,1322 41503,1324 27.288,1325 0.7,1326 0.585,1327 27.288,1328 22.817,1329 19.097,1330 0.455,1331 0.346,1332 14.384,1333 18.555,1334 14.133,1335 11.736,1336 19.097,1337 14.514,1338 16.233,1339 0.301,1340 0.197,1341 16.233,1342 10.632,1343 12.917,1344 0.193,1345 0.113,1346 12.917,1347 7.603,1348 10.397,1349 0.125,1350 0.066,1351 10.397,1352 5.441,1353 8.101,1354 0.082,1355 0.038,1356 8.101,1357 3.805,1358 0.236,1359 118.587,1360 0.187,1361 36.274,1362 0.371,1363 192,1364 518.979,1365 207.458,1366 497.843,1367 668.15,1368 466,1369 217,1370 473.025,1371 231.272,1372 477.308,1373 692.5,1374 451,1375 6.345} {0 CHEMBL294924,1 1.554,2 8.294,3 2.328,4 5.419,5 65.632,6 7.429,7 0.556,8 3.525,9 3.638,10 3.077,11 3.052,12 4.697,13 3.036,14 4.009,15 4.175,16 3.366,17 3.398,18 5.259,19 3.348,20 4.226,21 4.458,22 3.239,23 3.474,24 5.197,25 3.369,26 4.216,27 4.461,28 3.12,29 3.419,30 5.117,31 3.287,32 4.164,33 4.424,34 2.862,35 3.257,36 5.076,37 3.102,38 3.994,39 4.263,40 2.743,41 3.068,42 4.934,43 2.927,44 3.766,45 4.016,46 2.639,47 2.862,48 4.835,49 2.757,50 3.476,51 3.709,52 2.641,53 2.627,54 4.695,55 2.564,56 0.032,57 0.44,58 6.222,59 2.759,60 8.132,61 3.561,62 0.185,63 0.688,64 11.065,65 4.401,66 33.108,67 5.997,68 0.178,69 0.778,70 15.244,71 5.609,72 28.059,73 7.887,74 0.153,75 0.758,76 15.234,77 5.654,78 26.691,79 8.087,80 0.211,81 0.678,82 15.116,83 5.136,84 36.05,85 7.338,86 0.187,87 0.553,88 13.033,89 4.388,90 33.678,91 6.254,92 0.165,93 0.442,94 10.236,95 3.31,96 27.952,97 4.621,98 0.154,99 0.335,100 7.369,101 2.504,102 12.555,103 3.568,104 11,105 23,106 0.294,107 0.682,108 0.847,109 0.901,110 0.901,111 0.901,112 2.905,113 0.928,114 -3.07,115 -3.07,116 -2.95,118 41.9,120 3,133 2,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 4,175 1,177 1,180 5,181 1,186 4,191 1,194 4,195 1,198 5,203 1,206 4,207 1,210 3,215 1,218 3,219 1,222 3,227 1,229 3,234 1,235 1,242 2,243 1,246 1,247 2,250 1,252 1,255 1,256 1,259 1,260 1,264 1,268 1,270 334,271 11.535,272 11.535,273 11.535,274 11.535,275 11.535,276 9.989,277 8.341,278 7.19,279 11.704,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.592,286 5.264,287 3.427,288 9.198,289 3.4,290 1.352,291 0.476,292 0.194,293 0.194,294 0.194,295 3.564,299 1,300 1,301 295,302 3.082,305 35.439,306 45.559,309 67.866,313 1.336,314 13.936,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37,326 141,327 4.509,328 3.474,329 6.512,330 3.986,331 3.045,332 4.457,333 1.437,334 10.214,335 2.865,336 3.666,337 3.118,338 5.203,339 3.244,340 2.239,341 2.915,343 6.251,344 2.225,345 3.498,346 2.302,347 4.659,348 3.108,349 2.127,350 2.873,352 5.182,353 2.083,354 3.048,355 1.925,356 4.137,357 2.559,358 1.562,359 2.321,361 3.708,362 1.552,363 2.834,364 1.548,365 3.664,366 2.514,367 1.547,368 1.8,370 3.224,371 1.493,372 2.5,373 1.095,374 3.407,375 1.926,376 1,377 1.5,379 2.236,380 0.924,381 2.303,382 1,383 3.235,384 1.878,385 0.896,386 1.168,388 2.008,389 0.876,390 1.951,391 0.687,392 2.843,393 1.472,394 0.499,395 0.695,397 1.142,398 0.484,399 1.225,400 0.448,401 2.379,402 0.901,403 -0.097,404 -0.122,406 -0.217,407 -0.096,408 0.743,409 0.061,410 2.172,411 0.394,412 -0.599,413 -0.733,415 -1.383,416 -0.587,417 0.5,418 -0.372,419 1.745,420 0.007,421 -1,422 -1.243,424 -2,425 -0.944,426 0.469,427 -1,428 1.528,429 -0.048,430 -1,431 -1.484,433 -2.424,434 -0.957,435 -0.003,436 -1,437 1.451,438 -0.168,439 -1.134,440 -1.5,442 -2.64,443 -1.143,444 -0.114,445 -1.433,446 1,447 -0.617,448 -1.578,449 -1.995,451 -4.073,452 -1.482,453 -0.342,454 -1.608,455 0.832,456 -0.704,457 -1.667,458 -2.387,460 -4.435,461 -1.636,462 7.967,463 0.469,464 0.315,465 0.019,466 21.75,467 1.279,468 11,469 0.647,470 10.75,471 0.632,472 10.625,473 0.625,474 18.433,475 0.595,476 13.03,477 0.766,478 4.428,479 0.26,480 3.843,481 0.226,482 0.084,484 0.238,487 0.804,488 1.364,489 0.8,490 1.099,491 0.704,492 0.975,493 0.514,494 1.205,495 0.905,496 1.127,497 0.349,498 1.085,499 0.772,500 0.974,501 0.984,502 0.973,503 0.655,504 1.004,505 0.643,506 1.073,507 1.003,508 1.094,509 0.582,510 1.107,511 0.932,512 0.959,513 1.156,514 1.048,515 0.9,516 1.122,517 0.953,518 0.861,519 0.991,520 0.906,521 0.986,522 0.95,523 1.202,524 0.855,525 1.035,526 0.859,527 1.223,528 0.908,529 0.59,530 0.877,531 0.69,532 0.915,533 0.838,534 0.84,535 2.5,536 0.065,537 1.556,538 0.688,539 0.453,540 0.226,541 0.116,542 0.115,543 0.113,544 0.1,545 2525,546 8145,547 2.028,548 45.2,549 4,550 5,552 2,553 1,554 2,558 1.561,559 1.925,560 3.026,561 -0.256,563 1,564 1,565 1,567 48.171,568 1.554,569 3.602,570 4.478,571 4.761,572 4.761,573 4.761,574 2.419,575 3.852,576 4.057,577 3.216,578 437.318,579 6.821,580 4153.82,582 1,584 1,585 153.58,586 1.261,587 4.03,588 0.139,589 0.011,590 0.068,591 0.034,592 0.027,593 0.019,594 0.011,595 0.012,596 0.011,597 0.011,598 0.342,599 0.67,600 1,601 2.046,602 72.269,603 -0.072,604 -0.203,605 0.02,606 -0.041,607 -0.063,608 -0.007,609 0.209,610 -0.087,611 -0.037,612 -0.123,613 0.265,614 -0.125,615 -0.081,616 0.018,617 -0.06,618 0.017,619 -0.018,620 -0.01,621 -0.029,622 -0.108,623 -0.077,624 -0.104,625 -0.031,626 -0.1,627 -0.124,628 -0.029,629 -0.185,630 -0.093,631 -0.122,632 -0.138,633 -0.083,634 0.027,635 0.005,636 0.055,637 -0.103,638 0.048,639 -0.159,640 0.059,641 -0.028,642 0.088,643 -0.156,644 0.061,645 0.403,646 0.069,647 0.306,648 0.041,649 0.142,650 0.133,651 2.554,652 3.273,653 0.529,654 11.938,655 1.005,656 1.126,657 1.838,658 3.38,659 0.661,660 2.944,661 3.178,662 3.367,663 3.584,664 3.638,665 3.611,666 3.611,667 3.638,668 3.367,669 3.296,670 5.228,671 0.633,672 230.29,673 2.944,674 4.419,675 5.22,676 6.057,677 6.884,678 7.732,679 8.574,680 9.429,681 10.279,682 11.139,683 6.5,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 31,726 12,728 18,730 32,731 13,733 7,736 3,739 2,740 3,751 3,753 10,754 3,756 2,761 1,763 2,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,822 2,830 1,832 1,840 17,845 1,846 3,862 6.5,864 1,865 1,869 8.833,870 5.35,871 3.889,872 1.85,874 2.453,875 1.411,876 0.933,877 3.809,878 8.42,879 3.258,880 3.812,881 4.384,882 4.953,883 5.33,884 5.577,885 5.871,886 6.184,887 5.734,888 5.888,889 1,890 20,891 6.228,893 2.528,894 7.941,895 11.794,897 9.255,899 2.441,900 41.5,901 0.001,904 153.024,905 78.462,906 18.072,908 67.828,911 78.462,912 220.853,913 18.072,915 7.604,916 47.381,917 117.684,918 10.334,919 4.901,920 129.482,922 153.024,923 96.534,924 67.828,927 153.024,928 67.828,931 26.556,932 34.24,933 35.738,935 153.024,936 85.9,937 78.462,940 153.024,941 13.414,942 66.334,944 84.614,945 153.024,946 85.9,947 78.462,949 0.556,950 0.301,951 0.162,952 0.077,953 10,954 4,955 0.156,956 5,957 1,958 1.222,959 3.073,960 106.935,961 0.222,962 9,963 69.487,968 11.711,969 5.529,970 3.095,971 1.087,972 84.614,973 9.724,974 4.101,978 1.198,980 42.683,981 317.386,982 25,987 10.273,989 2.883,991 -0.887,994 31.16,995 34.907,996 0.314,997 0.727,998 0.904,999 0.961,1000 0.961,1001 0.961,1002 4.425,1003 0.499,1004 5.153,1005 2.008,1006 3.85,1007 4.494,1008 1.635,1009 5.878,1010 3.785,1011 5.609,1012 -0.097,1013 6.65,1014 1.142,1015 3.219,1016 4.205,1018 6.676,1019 3.088,1020 6.888,1021 -0.599,1022 8.259,1023 -0.217,1024 5.333,1025 6.714,1026 2.253,1027 9.777,1028 5.18,1029 8.214,1030 -1,1031 9.94,1032 -1.383,1033 5.602,1034 7.392,1036 11.53,1037 5.348,1038 9.578,1039 -1,1040 11.673,1041 -2,1042 7.133,1043 9.301,1044 2.922,1045 14.123,1046 6.862,1047 10.972,1048 -1.134,1049 13.442,1050 -2.424,1051 7.849,1052 10.434,1054 16.232,1055 7.467,1056 12.389,1057 -1.578,1058 15.238,1059 -2.64,1060 9.132,1061 12.1,1062 3.619,1063 18.659,1064 8.723,1065 3.045,1066 -1.667,1067 17.053,1068 -4.073,1069 10.065,1070 13.44,1072 20.899,1073 9.553,1074 2.239,1075 10.214,1076 18.883,1077 -4.435,1078 11.244,1079 15.005,1080 4.33,1081 23.264,1082 10.691,1083 2.127,1084 6.251,1085 20.723,1086 4.457,1087 12.277,1088 16.434,1090 25.554,1091 11.635,1092 1.562,1093 5.182,1094 22.571,1095 2.915,1096 13.415,1097 17.959,1098 5.047,1099 27.896,1100 12.722,1101 1.547,1102 3.708,1103 24.426,1104 2.873,1105 14.492,1106 19.425,1108 30.205,1109 13.721,1110 1,1111 3.224,1112 26.284,1113 2.321,1114 15.615,1115 20.933,1116 5.769,1117 32.537,1118 14.786,1119 0.896,1120 2.236,1121 28.146,1122 1.8,1123 16.712,1124 22.415,1126 34.854,1127 15.813,1128 2584,1129 4702,1130 12.019,1131 20.489,1132 26.398,1133 26.572,1134 26.431,1135 25.819,1136 25.831,1137 35.455,1138 2.873,1139 67.93,1140 25.003,1141 5.346,1142 5.474,1143 6.285,1144 5.033,1145 5.045,1146 7.457,1147 2.873,1148 16.989,1149 4.836,1150 7.332,1151 1.467,1152 1.476,1153 1.468,1154 1.434,1155 1.435,1156 1.97,1157 0.16,1158 3.774,1159 1.389,1160 4.119,1161 4.169,1162 4.081,1163 3.977,1164 7.476,1165 3.996,1166 3.732,1167 3.773,1168 3.632,1169 3.61,1170 6.351,1171 3.605,1172 3.456,1173 3.493,1174 3.352,1175 3.292,1176 5.051,1177 3.298,1178 3.301,1179 3.355,1180 3.19,1181 3.139,1182 4.384,1183 3.144,1184 3.042,1185 3.085,1186 2.917,1187 2.834,1188 4.279,1189 2.849,1190 2.746,1191 2.808,1192 2.582,1193 2.509,1194 3.878,1195 2.525,1196 2.431,1197 2.536,1198 2.194,1199 2.163,1200 3.506,1201 2.156,1202 2.285,1203 2.398,1204 2.098,1205 2.017,1206 3.279,1207 2.017,1208 0.251,1209 0.193,1210 0.362,1211 0.221,1212 0.169,1213 4.509,1214 0.248,1215 3.474,1216 0.08,1217 6.512,1218 0.567,1219 3.986,1220 0.159,1221 3.045,1222 4.457,1223 1.437,1224 10.214,1225 2.865,1226 1.95,1227 1.912,1228 2.065,1229 2.088,1230 1.316,1231 2.081,1232 1.703,1233 1.661,1234 1.893,1235 1.852,1236 1.067,1237 1.867,1238 1.411,1239 1.368,1240 1.601,1241 1.611,1242 0.713,1243 1.602,1244 1.265,1245 1.204,1246 1.444,1247 1.53,1248 0.419,1249 1.506,1250 1.014,1251 0.954,1252 1.222,1253 1.217,1254 0.3,1255 1.22,1256 0.895,1257 0.844,1258 1.19,1259 1.187,1260 0.257,1261 1.194,1262 0.562,1263 0.5,1264 0.895,1265 0.877,1267 0.898,1268 0.332,1269 0.222,1270 0.78,1271 0.669,1273 0.721,1274 3.611,1276 4.86,1277 2.398,1278 6.293,1279 4.595,1280 7.829,1281 6.605,1282 9.428,1289 8.444,1290 2.621,1300 19.633,1301 48.171,1302 111.664,1303 138.825,1304 147.58,1305 147.58,1306 147.58,1307 22.886,1308 5.966,1309 54.6,1310 54.6,1311 11,1312 11.692,1313 3.7,1314 3,1315 28.76,1316 52,1317 51,1318 0.27,1319 124.701,1320 210.68,1321 296.03,1322 2591,1324 12.088,1325 0.711,1326 0.554,1327 12.088,1328 9.413,1329 8.271,1330 0.459,1331 0.309,1332 5.496,1333 7.958,1334 5.398,1335 4.504,1336 8.271,1337 5.566,1338 7.078,1339 0.308,1340 0.167,1341 7.078,1342 3.838,1343 5.33,1344 0.19,1345 0.093,1346 5.33,1347 2.596,1348 4.395,1349 0.126,1350 0.051,1351 4.395,1352 1.796,1353 3.107,1354 0.084,1355 0.03,1356 3.107,1357 1.108,1358 0.429,1359 51.817,1360 0.288,1361 17.62,1362 0.714,1363 82,1364 261.175,1365 90.619,1366 252.49,1367 335.12,1368 234,1369 92,1370 238.653,1371 99.515,1372 241.12,1373 344.79,1374 226,1375 8.319} {0 CHEMBL294952,1 1.561,2 15.079,3 3.24,4 10.499,5 137.645,6 7.685,7 0.415,8 4.325,9 4.416,10 3.894,11 3.805,12 5.51,13 3.814,14 4.857,15 4.99,16 4.237,17 4.184,18 6.107,19 4.17,20 5.123,21 5.302,22 4.284,23 4.328,24 6.198,25 4.281,26 5.234,27 5.423,28 4.314,29 4.343,30 6.378,31 4.297,32 5.207,33 5.399,34 4.309,35 4.373,36 6.262,37 4.318,38 5.274,39 5.471,40 4.333,41 4.408,42 6.438,43 4.337,44 5.242,45 5.452,46 4.292,47 4.407,48 6.29,49 4.334,50 5.221,51 5.412,52 4.293,53 4.358,54 6.363,55 4.308,56 0.186,57 0.909,58 13.49,59 6.545,60 27.534,61 7.644,62 0.728,63 1.447,64 25.893,65 10.527,66 85.332,67 12.812,68 0.722,69 1.755,70 36.491,71 14.09,72 86.04,73 17.775,74 1.248,75 1.844,76 43.462,77 15.07,78 129.099,79 18.978,80 0.848,81 1.872,82 40.906,83 15.263,84 101.201,85 19.491,86 1.558,87 1.958,88 45.488,89 16.004,90 164.501,91 20.863,92 0.957,93 1.95,94 43.433,95 15.835,96 113.427,97 20.796,98 0.96,99 1.871,100 42.235,101 14.988,102 120.098,103 18.939,104 35,105 55,106 0.245,107 0.615,108 0.818,109 0.91,110 0.928,111 0.928,112 3.668,113 0.9,114 -3.83,115 -3.79,116 -3.6,118 41.2,120 3,121 1,124 3,126 1,127 1,133 2,140 7,141 3,142 2,143 1,149 1,154 2,156 1,163 2,167 2,168 13,169 2,171 2,172 9,175 2,177 4,180 13,181 2,185 1,186 11,187 1,191 4,194 9,195 3,197 1,198 13,201 2,203 5,206 8,207 2,209 1,210 8,211 2,215 3,218 12,219 1,221 4,222 7,223 1,225 3,227 3,229 16,230 1,233 1,234 7,237 1,239 4,242 17,243 2,247 6,248 3,252 5,255 15,256 3,258 5,259 6,262 3,264 4,265 1,267 10,268 4,270 3222,271 25.673,272 25.673,273 25.673,274 25.673,275 25.673,276 22.962,277 27.924,278 15.558,279 26.122,280 20.265,281 20.265,282 20.265,283 20.265,284 20.265,285 16.27,286 28.72,287 7.406,288 21.004,289 4.527,290 2.17,291 0.881,292 0.294,293 0.176,294 0.176,295 4.362,300 1,301 1212,302 4.301,305 133.192,306 413.457,313 2.31,314 56.72,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,324 0.62,325 85,326 573,327 4.401,328 3.65,329 6.682,330 4.123,331 3.15,332 4.029,333 2.341,334 10.793,335 3.062,336 4.314,337 3.597,338 6.459,339 3.995,340 3.014,341 3.852,342 1.902,343 9.992,344 2.953,345 3.921,346 3.578,347 6.06,348 3.644,349 2.663,350 3.478,351 1.437,352 8.719,353 2.61,354 3.886,355 3.195,356 5.653,357 3.453,358 2.539,359 3.156,360 0.869,361 7.366,362 2.356,363 3.602,364 2.877,365 5.353,366 3.383,367 2.399,368 2.754,369 0.86,370 6.998,371 2.317,372 3.55,373 2.639,374 4.915,375 3.237,376 2.232,377 2.707,378 0.22,379 5.34,380 2.218,381 3.344,382 2.591,383 4.66,384 2.952,385 1.995,386 2.534,388 5.184,389 1.887,390 3.123,391 2.165,392 4.567,393 2.698,394 1.721,395 2.204,397 4.554,398 1.676,399 2.873,400 2.027,401 4.383,402 2.504,403 1.546,404 2.024,406 4.139,407 1.476,408 2.819,409 1.886,410 3.814,411 2.442,412 1.464,413 1.9,415 3.169,416 1.425,417 2.732,418 1.624,419 3.645,420 2.391,421 1.414,422 1.785,424 3.032,425 1.374,426 2.636,427 1.534,428 3.628,429 2.303,430 1.353,431 1.649,433 2.982,434 1.278,435 2.532,436 1.394,437 3.585,438 2.005,439 1,440 1.476,442 2.541,443 0.994,444 2.203,445 1.341,446 3.574,447 1.933,448 1,449 1.166,451 2.421,452 0.923,453 2.155,454 1.206,455 3.222,456 1.836,457 0.923,458 1.098,460 2.044,461 0.835,462 17.467,463 0.46,464 0.839,465 0.022,466 45.5,467 1.197,468 21,469 0.553,470 24.5,471 0.645,472 35.863,473 0.944,474 42.533,475 0.625,476 40.972,477 1.078,478 9.403,479 0.247,480 9.016,481 0.237,482 0.095,484 0.309,487 0.88,488 1.294,489 0.783,490 1.145,491 0.796,492 0.976,493 0.857,494 1.077,495 0.945,496 1.077,497 0.505,498 1.034,499 0.964,500 1.089,501 0.982,502 1.144,503 0.803,504 1.082,505 1.122,506 0.958,507 1.028,508 0.994,509 0.845,510 0.993,511 0.986,512 1.058,513 0.978,514 1.098,515 0.783,516 1.051,517 0.826,518 0.918,519 0.984,520 0.944,521 0.91,522 1,523 0.888,524 0.94,525 0.936,526 0.966,527 0.848,528 0.968,529 1.159,530 1.028,531 1.045,532 1.03,533 1.115,534 1.016,535 6.5,536 0.277,537 4,538 2.097,539 1.734,540 1.497,541 0.875,542 0.549,543 0.609,544 0.505,545 23102,546 72692,547 2.053,548 44.1,549 4,550 16,551 2,552 2,553 3,554 2,556 1,558 1.79,559 1.932,560 3.822,561 0.791,567 106.135,568 1.561,569 3.918,570 5.206,571 5.793,572 5.911,573 5.911,574 3.313,575 4.774,576 5.208,577 4.039,578 2839.27,579 9.2,580 48558.3,585 413.947,586 1.359,587 5.183,588 0.159,589 0.006,590 0.073,591 0.037,592 0.031,593 0.026,594 0.015,595 0.01,596 0.011,597 0.01,598 0.378,599 0.33,600 0.75,601 1.437,602 212.78,603 -0.096,604 -0.112,605 0.021,606 -0.025,607 -0.097,608 0.017,609 0.059,610 0.041,611 -0.059,612 -0.031,613 0.148,614 -0.064,615 -0.073,616 -0.076,617 -0.046,618 -0.113,619 -0.051,620 -0.078,621 -0.039,622 -0.003,623 -0.031,624 0.001,625 -0.007,626 -0.01,627 -0.076,628 -0.073,629 -0.022,630 -0.078,631 -0.048,632 -0.044,633 0.155,634 0.045,635 -0.002,636 0.059,637 0.019,638 -0.001,639 -0.044,640 0.04,641 0.025,642 0.046,643 -0.064,644 0.05,645 -0.158,646 -0.052,647 -0.068,648 -0.028,649 -0.142,650 -0.025,651 2.804,652 4.99,653 0.605,654 55.105,655 1.018,656 1.125,657 2.601,658 6.766,659 0.652,660 3.738,661 4.025,662 4.263,663 4.5,664 4.7,665 4.804,666 4.963,667 5.112,668 5.273,669 5.398,670 8.705,671 0.634,672 522.6,673 3.738,674 5.263,675 6.094,676 6.954,677 7.808,678 8.677,679 9.542,680 10.418,681 11.291,682 12.172,683 2.9,691 1,693 1,699 10,700 1,704 5,705 1,706 17,714 1,721 1,722 1,724 68,726 20,727 2,728 41,730 71,731 28,733 15,734 5,735 7,736 1,739 4,740 4,748 1,749 1,751 4,753 19,754 9,755 1,756 3,761 2,763 2,765 2,772 30,773 9,774 3,775 10,778 1,779 2,784 1,785 8,801 1,802 3,818 1,822 2,830 2,831 2,832 4,840 38,845 3,846 6,848 3,850 3,862 11.8,864 3,865 2,866 2,867 1,869 19.667,870 11.583,871 8.5,872 3.899,874 2.625,875 1.327,876 0.911,877 9.816,878 10.655,879 3.98,880 4.491,881 4.958,882 5.439,883 5.819,884 5.956,885 6.252,886 6.521,887 6.872,888 7.23,889 1,890 56,891 14.156,893 6.102,894 8.031,895 26.273,897 21.316,899 2.531,900 96.167,904 317.82,905 147.873,906 18.685,908 211.34,911 147.873,912 529.159,913 18.685,915 18.894,916 94.693,917 251.106,918 36.747,919 23.542,920 270.735,922 317.82,923 166.558,924 211.34,927 306.049,928 201.111,929 22,930 0.36,931 38.459,932 92.001,933 35.738,935 317.82,936 230.024,937 147.873,940 318.179,941 35.514,942 113.899,944 228.125,945 317.82,946 230.024,947 147.873,949 0.57,950 0.321,951 0.171,952 0.089,953 23,954 11,955 0.169,956 12,958 1,959 4.824,960 357.686,962 23,963 197.421,968 27.703,969 13.464,970 7.607,972 228.125,973 16.777,974 3.971,978 1.426,979 1.829,980 128.05,981 695.717,982 52.5,987 22.738,989 3.707,991 -1.994,994 69.192,995 76.485,996 0.256,997 0.644,998 0.855,999 0.952,1000 0.971,1001 0.971,1002 5.205,1003 1.721,1004 6.057,1005 5.184,1006 4.71,1007 5.179,1008 3.14,1009 6.832,1010 4.641,1011 6.374,1012 1.546,1013 7.592,1014 4.554,1015 4.205,1016 4.82,1017 2.521,1018 7.698,1019 4.116,1020 7.65,1021 1.464,1022 9.233,1023 4.139,1024 6.26,1025 7.229,1026 4.205,1027 10.797,1028 6.134,1029 8.959,1030 1.414,1031 10.939,1032 3.169,1033 6.608,1034 7.719,1035 4.358,1036 12.536,1037 6.461,1038 10.301,1039 1.353,1040 12.688,1041 3.032,1042 8.101,1043 9.576,1044 5.558,1045 15.143,1046 7.926,1047 11.665,1048 1,1049 14.468,1050 2.982,1051 8.85,1052 10.474,1053 6.075,1054 17.233,1055 8.651,1056 13.048,1057 1,1058 16.269,1059 2.541,1060 10.114,1061 12.091,1062 7.068,1063 19.672,1064 9.891,1065 3.15,1066 0.923,1067 18.085,1068 2.421,1069 11.057,1070 13.201,1071 7.759,1072 21.909,1073 10.81,1074 3.014,1075 10.793,1076 19.914,1077 2.044,1078 12.228,1079 14.7,1080 8.663,1081 24.29,1082 11.958,1083 2.663,1084 9.992,1085 21.753,1086 4.029,1087 13.265,1088 15.926,1089 9.435,1090 26.592,1091 12.97,1092 2.539,1093 8.719,1094 23.599,1095 3.852,1096 14.401,1097 17.366,1098 10.303,1099 28.953,1100 14.083,1101 2.399,1102 7.366,1103 25.451,1104 3.478,1105 15.483,1106 18.655,1107 11.114,1108 31.285,1109 15.14,1110 2.232,1111 6.998,1112 27.308,1113 3.156,1114 16.608,1115 20.064,1116 11.968,1117 33.642,1118 16.241,1119 1.995,1120 5.34,1121 29.169,1122 2.754,1123 17.712,1124 21.39,1125 12.798,1126 35.988,1127 17.32,1128 22333,1129 39747,1130 27.334,1131 44.307,1132 60.969,1133 61.503,1134 61.455,1135 59.995,1136 59.976,1137 75.576,1138 15.257,1139 165.486,1140 57.785,1141 5.401,1142 5.65,1143 6.453,1144 5.214,1145 5.15,1146 7.029,1147 3.925,1148 17.872,1149 5.062,1150 19.389,1151 1.487,1152 1.5,1153 1.499,1154 1.463,1155 1.463,1156 1.843,1157 0.372,1158 4.036,1159 1.409,1160 4.027,1161 4.05,1162 3.972,1163 3.925,1164 7.477,1165 3.932,1166 3.926,1167 3.978,1168 3.866,1169 3.84,1170 7.472,1171 3.841,1172 3.891,1173 3.916,1174 3.839,1175 3.699,1176 6.469,1177 3.728,1178 3.766,1179 3.805,1180 3.66,1181 3.662,1182 6.352,1183 3.653,1184 3.633,1185 3.662,1186 3.538,1187 3.459,1188 6.35,1189 3.467,1190 3.407,1191 3.435,1192 3.323,1193 3.19,1194 4.965,1195 3.214,1196 3.338,1197 3.377,1198 3.226,1199 3.122,1200 4.877,1201 3.13,1202 3.27,1203 3.268,1204 3.179,1205 3.038,1206 4.71,1207 3.073,1208 0.107,1209 0.089,1210 0.163,1211 0.101,1212 0.077,1213 4.401,1214 0.098,1215 3.65,1216 0.057,1217 6.682,1218 0.263,1219 4.123,1220 0.075,1221 3.15,1222 4.029,1223 2.341,1224 10.793,1225 3.062,1226 1.95,1227 1.934,1228 2.064,1229 2.071,1230 1.366,1231 2.066,1232 1.893,1233 1.877,1234 1.986,1235 1.99,1236 1.156,1237 1.988,1238 1.764,1239 1.723,1240 1.948,1241 1.9,1242 1.133,1243 1.916,1244 1.631,1245 1.569,1246 1.829,1247 1.865,1248 1.071,1249 1.857,1250 1.581,1251 1.539,1252 1.794,1253 1.779,1254 1.013,1255 1.779,1256 1.312,1257 1.275,1258 1.512,1259 1.552,1260 0.669,1261 1.53,1262 1.291,1263 1.241,1264 1.497,1265 1.527,1266 0.533,1267 1.517,1268 1.147,1269 1.135,1270 1.336,1271 1.423,1272 0.441,1273 1.38,1274 4.419,1276 5.714,1277 2.398,1278 7.194,1279 4.443,1280 8.768,1281 6.26,1282 10.397,1289 29.133,1290 2.095,1292 18.018,1294 -1.534,1300 43.136,1301 106.135,1302 266.408,1303 354.031,1304 393.947,1305 401.947,1306 401.947,1307 103.656,1308 8.029,1309 140.34,1310 140.34,1311 23,1312 12.709,1313 4.392,1314 3.644,1315 67.44,1316 193,1317 218,1318 0.165,1319 263.14,1320 474.1,1321 633.821,1322 35466,1324 26.907,1325 0.708,1326 0.544,1327 26.907,1328 20.68,1329 18.419,1330 0.449,1331 0.3,1332 12.076,1333 17.521,1334 11.91,1335 9.787,1336 18.419,1337 12.296,1338 16.277,1339 0.296,1340 0.162,1341 16.277,1342 8.89,1343 12.946,1344 0.185,1345 0.089,1346 12.946,1347 6.206,1348 10.603,1349 0.119,1350 0.048,1351 10.603,1352 4.267,1353 8.247,1354 0.076,1355 0.026,1356 8.247,1357 2.88,1358 0.263,1359 117.144,1360 0.191,1361 34.846,1362 0.444,1363 192,1364 666.417,1365 217.999,1366 618.825,1367 813.41,1368 576,1369 221,1370 563.748,1371 245.678,1372 561.94,1373 821.58,1374 527,1375 5.42} {0 CHEMBL295049,1 1.782,2 12.115,3 3.497,4 12.228,5 100.085,6 8.445,7 0.444,8 3.928,9 4.021,10 3.733,11 3.522,12 5.035,13 3.465,14 4.465,15 4.612,16 3.994,17 3.889,18 5.846,19 3.801,20 4.743,21 4.94,22 3.999,23 4.021,24 5.853,25 3.889,26 4.789,27 5.002,28 3.88,29 3.941,30 5.932,31 3.811,32 4.734,33 4.973,34 3.925,35 3.885,36 5.805,37 3.747,38 4.667,39 4.883,40 3.95,41 3.845,42 5.897,43 3.739,44 4.605,45 4.812,46 3.707,47 3.791,48 5.809,49 3.686,50 4.51,51 4.72,52 3.641,53 3.752,54 5.608,55 3.629,56 0.129,57 0.662,58 11.088,59 4.822,60 24.71,61 5.496,62 0.451,63 1.031,64 18.711,65 8.061,66 80.462,67 9.757,68 0.461,69 1.255,70 33.249,71 11.492,72 79.743,73 13.518,74 0.609,75 1.272,76 33.305,77 10.832,78 102.141,79 12.93,80 0.58,81 1.225,82 33.805,83 10.285,84 89.472,85 12.466,86 0.639,87 1.122,88 32.847,89 9.837,90 98.897,91 11.856,92 0.608,93 1.046,94 26.734,95 8.797,96 103.007,97 10.649,98 0.358,99 0.987,100 24.643,101 8.459,102 56.497,103 10.547,104 32,105 36,106 0.306,107 0.635,108 0.78,109 0.857,110 0.872,111 0.872,112 3.303,113 1.126,114 -3.29,115 -3.28,116 -3.14,118 38.3,120 5,124 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 3,175 3,177 2,180 10,181 1,186 7,191 5,194 9,195 1,198 8,203 4,206 4,207 1,210 6,213 1,215 2,218 5,219 1,222 6,227 3,229 8,230 1,233 2,234 4,239 2,242 7,243 1,247 5,248 1,252 2,255 5,256 1,258 1,259 5,262 1,264 1,265 1,267 6,270 1172,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 14.993,277 14.908,278 10.309,279 17.359,280 13.316,281 13.316,282 13.316,283 13.316,284 13.316,285 10.28,286 11.781,287 4.911,288 13.976,289 3.772,290 1.852,291 1.003,292 0.553,293 0.468,294 0.468,295 3.966,297 1,299 1,300 1,301 639,302 4.243,306 195.538,313 1.979,314 39.531,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 57.333,326 315,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.697,333 2.341,334 12.408,335 3.07,336 4.192,337 3.596,338 6.137,339 3.828,340 2.836,341 3.8,342 0.522,343 9.029,344 2.811,345 3.834,346 3.075,347 5.149,348 3.31,349 2.399,350 3.393,352 6.32,353 2.222,354 3.55,355 2.898,356 4.741,357 3.24,358 2.234,359 2.71,361 5.185,362 2.155,363 3.087,364 2.099,365 4.659,366 2.769,367 1.782,368 2.294,370 4.828,371 1.755,372 2.97,373 1.806,374 4.423,375 2.577,376 1.633,377 2.117,379 4.383,380 1.489,381 2.917,382 1.636,383 3.684,384 2.434,385 1.478,386 2.072,388 3.224,389 1.396,390 2.598,391 1.505,392 3.564,393 2.367,394 1.394,395 1.595,397 2.951,398 1.343,399 2.5,400 1.01,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 1.972,409 1,410 3.341,411 1.763,412 0.771,413 0.884,415 1.657,416 0.76,417 1.798,418 0.941,419 2.963,420 1.564,421 0.619,422 0.701,424 1.402,425 0.581,426 1.168,427 0.585,428 2.727,429 0.971,430 -0.015,431 -0.017,433 -0.034,434 -0.015,435 1.119,436 0.491,437 2.46,438 0.597,439 -0.223,440 -0.278,442 -0.49,443 -0.148,444 1,445 0.186,446 2.211,447 0.491,448 -0.493,449 -0.569,451 -1.139,452 -0.481,453 0.776,454 -0.152,455 2,456 0.165,457 -0.811,458 -1.002,460 -1.95,461 -0.777,462 12.681,463 0.488,464 0.704,465 0.027,466 32,467 1.231,468 16.5,469 0.635,470 15.5,471 0.596,472 21.786,473 0.838,474 29.319,475 0.624,476 23.84,477 0.917,478 6.019,479 0.231,480 6.363,481 0.245,482 0.161,483 0.066,484 0.197,487 0.593,488 1.306,489 0.732,490 1.178,491 0.681,492 0.962,493 0.485,494 1.134,495 0.784,496 1.007,497 0.447,498 1.042,499 0.895,500 1.148,501 1.074,502 1.137,503 0.859,504 1.063,505 1.141,506 1.112,507 1.008,508 1.018,509 1.14,510 1.075,511 0.939,512 0.88,513 0.701,514 0.796,515 0.943,516 0.878,517 0.816,518 0.97,519 0.894,520 1.05,521 0.866,522 0.916,523 1.113,524 0.872,525 0.91,526 0.845,527 1.198,528 0.947,529 0.828,530 1.097,531 0.973,532 1.057,533 0.776,534 1.085,535 6,536 0.12,537 3.333,538 1.375,539 0.964,540 0.951,541 0.469,542 0.286,543 0.25,544 0.212,545 7935,546 29450,547 1.943,548 44.7,549 8,550 7,552 2,553 2,554 2,558 1.689,559 1.803,560 3.531,561 0.327,563 1,567 83.768,568 1.782,569 3.703,570 4.552,571 5.001,572 5.087,573 5.087,574 3.094,575 4.239,576 4.666,577 3.734,578 1213.55,579 8.08,580 15974,582 1,584 1,585 261.066,586 1.553,587 4.611,588 0.222,589 0.007,590 0.093,591 0.039,592 0.032,593 0.033,594 0.015,595 0.01,596 0.01,597 0.009,598 0.47,599 0.33,600 1,601 1.723,602 130.019,603 0.028,604 -0.075,605 0.131,606 -0.036,607 -0.103,608 0.034,609 0.255,610 -0.011,611 0.021,612 -0.014,613 0.277,614 -0.074,615 -0.083,616 -0.138,617 -0.072,618 -0.073,619 -0.04,620 -0.048,621 -0.177,622 -0.126,623 -0.109,624 -0.064,625 -0.134,626 -0.111,627 -0.076,628 0.125,629 0.135,630 0.142,631 -0.078,632 0.09,633 0.095,634 0.021,635 0.093,636 -0.027,637 0.065,638 0.08,639 -0.119,640 0.108,641 -0.094,642 0.065,643 -0.136,644 0.006,645 -0.079,646 -0.1,647 -0.104,648 -0.11,649 -0.059,650 -0.092,651 4.542,652 5.366,653 0.462,654 27.254,655 1.016,656 1.124,657 2.064,658 4.26,659 0.68,660 3.332,661 3.611,662 3.738,663 3.85,664 4.025,665 4.025,666 3.951,667 3.932,668 4.007,669 4.007,670 7.082,671 0.642,672 396.93,673 3.332,674 4.844,675 5.638,676 6.482,677 7.3,678 8.15,679 8.98,680 9.834,681 10.671,682 11.529,683 4.3,685 1,693 1,699 7,700 1,704 4,706 12,723 1,724 47,726 15,727 1,728 27,730 48,731 18,733 11,734 2,735 4,739 2,740 2,741 1,751 5,753 12,754 6,756 3,760 1,761 3,765 1,769 1,772 21,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 26,844 1,845 1,846 6,847 1,861 1,862 8.5,864 1,865 3,869 14.417,870 8.043,871 5.819,872 2.795,874 2.297,875 1.345,876 0.934,877 7.732,878 8.949,879 3.611,880 4.174,881 4.554,882 4.965,883 5.441,884 5.506,885 5.535,886 5.496,887 5.825,888 6.054,889 1,890 35,891 9.841,893 4.324,894 8.149,895 18.011,897 14.533,899 2.649,900 68.861,903 1,904 223.651,905 98.394,906 33.191,907 39.149,908 112.141,910 5.807,911 92.587,912 374.941,913 33.191,915 14.778,916 69.594,917 153.379,918 29.517,920 200.109,921 39.149,922 223.651,923 125.777,924 112.141,925 44.956,927 223.651,928 112.141,931 49.278,932 59.714,933 61.742,935 223.651,936 145.332,937 137.543,939 5.807,940 223.651,941 27.111,942 65.476,943 16.405,944 168.075,945 223.651,946 145.332,947 137.543,949 0.574,950 0.304,951 0.143,952 0.079,953 14,954 7,955 0.208,956 10,958 1,959 3.817,960 194.455,962 12,963 116.211,967 1,968 20.532,969 9.791,970 6.812,972 145.332,973 11.122,974 4.099,978 2.451,980 59.088,981 506.526,982 36,986 -3.625,987 35.25,991 -0.788,994 47.749,995 52.85,996 0.321,997 0.667,998 0.82,999 0.9,1000 0.916,1001 0.916,1002 4.82,1003 1.394,1004 5.638,1005 3.224,1006 4.29,1007 4.86,1008 2.313,1009 6.422,1010 4.195,1011 6.039,1012 1,1013 7.195,1014 2.951,1015 4.007,1016 4.934,1017 2.243,1018 7.644,1019 3.783,1020 7.374,1021 0.771,1022 8.879,1023 2.275,1024 5.911,1025 7.13,1026 3.632,1027 10.612,1028 5.697,1029 8.756,1030 0.619,1031 10.646,1032 1.657,1033 6.463,1034 8.04,1035 4.112,1036 12.714,1037 6.102,1038 10.18,1039 -0.015,1040 12.472,1041 1.402,1042 7.897,1043 9.797,1044 5.202,1045 15.329,1046 7.528,1047 11.634,1048 -0.223,1049 14.338,1050 -0.034,1051 8.819,1052 11.058,1053 5.889,1054 17.711,1055 8.308,1056 13.112,1057 -0.493,1058 16.235,1059 -0.49,1060 10.09,1061 12.669,1062 6.849,1063 20.245,1064 9.538,1065 3.377,1066 -0.811,1067 18.153,1068 -1.139,1069 11.173,1070 14.082,1071 7.625,1072 22.714,1073 10.492,1074 2.836,1075 12.408,1076 20.087,1077 -1.95,1078 12.39,1079 15.643,1080 8.526,1081 25.23,1082 11.643,1083 2.399,1084 9.029,1085 22.033,1086 4.697,1087 13.543,1088 17.124,1089 9.342,1090 27.729,1091 12.678,1092 2.234,1093 6.32,1094 23.987,1095 3.8,1096 14.747,1097 18.668,1098 10.216,1099 30.243,1100 13.798,1101 1.782,1102 5.185,1103 25.949,1104 3.393,1105 15.93,1106 20.181,1107 11.051,1108 32.753,1109 14.87,1110 1.633,1111 4.828,1112 27.915,1113 2.71,1114 17.133,1115 21.722,1116 11.912,1117 35.268,1118 15.979,1119 1.478,1120 4.383,1121 29.885,1122 2.294,1123 18.331,1124 23.251,1125 12.755,1126 37.783,1127 17.069,1128 8076,1129 15719,1130 17.277,1131 31.949,1132 39.194,1133 40.817,1134 40.188,1135 39.301,1136 39.045,1137 51.529,1138 5.725,1139 107.321,1140 37.164,1141 5.768,1142 6.684,1143 7.067,1144 5.344,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.07,1150 15.079,1151 1.452,1152 1.512,1153 1.488,1154 1.456,1155 1.446,1156 1.908,1157 0.212,1158 3.975,1159 1.376,1160 4.082,1161 4.068,1162 4.736,1163 4.068,1164 7.717,1165 3.982,1166 3.914,1167 3.944,1168 3.925,1169 3.835,1170 7.474,1171 3.831,1172 3.72,1173 3.768,1174 3.861,1175 3.59,1176 6.999,1177 3.569,1178 3.628,1179 3.62,1180 3.59,1181 3.545,1182 6.351,1183 3.481,1184 3.424,1185 3.465,1186 3.297,1187 3.23,1188 4.93,1189 3.234,1190 3.087,1191 3.146,1192 3.17,1193 2.885,1194 4.876,1195 2.882,1196 3.056,1197 3.106,1198 2.961,1199 2.842,1200 4.266,1201 2.848,1202 2.854,1203 2.925,1204 2.892,1205 2.735,1206 4.116,1207 2.715,1208 0.179,1209 0.173,1210 0.27,1211 0.159,1212 0.125,1213 4.845,1214 0.174,1215 4.684,1216 0.087,1217 7.293,1218 0.46,1219 4.295,1220 0.114,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.07,1226 1.964,1227 1.971,1228 2.056,1229 2.052,1230 1.371,1231 2.08,1232 1.895,1233 1.864,1234 1.954,1235 1.983,1236 1.193,1237 2.01,1238 1.705,1239 1.654,1240 1.915,1241 1.877,1242 1.118,1243 1.892,1244 1.47,1245 1.489,1246 1.648,1247 1.654,1248 0.901,1249 1.679,1250 1.374,1251 1.329,1252 1.459,1253 1.596,1254 0.642,1255 1.603,1256 1.024,1257 0.967,1258 1.294,1259 1.283,1260 0.468,1261 1.282,1262 1.004,1263 0.953,1264 1.181,1265 1.238,1266 0.365,1267 1.271,1268 0.886,1269 0.821,1270 1.053,1271 1.062,1272 0.218,1273 1.107,1274 4.007,1276 5.293,1278 6.763,1280 8.318,1282 9.919,1285 5.789,1289 8.647,1290 3.325,1291 2.592,1300 30.185,1301 83.768,1302 174.03,1303 213.946,1304 235.066,1305 239.066,1306 239.066,1307 79.469,1308 6.653,1309 96.36,1310 104.74,1311 12,1312 12.086,1313 4,1314 3.322,1315 55.135,1316 107,1317 118,1318 0.244,1319 197.191,1320 345.84,1321 472.907,1322 6735,1323 2.1,1324 18.993,1325 0.731,1326 0.606,1327 19.743,1328 15.762,1329 12.382,1330 0.459,1331 0.375,1332 8.338,1333 10.888,1334 8.017,1335 6.65,1336 13.492,1337 10.132,1338 11.321,1339 0.314,1340 0.224,1341 13.052,1342 8.081,1343 8.203,1344 0.2,1345 0.136,1346 9.583,1347 5.587,1348 5.984,1349 0.13,1350 0.079,1351 7.005,1352 3.624,1353 4.673,1354 0.085,1355 0.049,1356 5.749,1357 2.674,1358 0.391,1359 88.759,1360 0.241,1361 25.678,1362 0.645,1363 126,1364 436.398,1365 189.911,1366 468.026,1367 598.38,1368 426,1369 140,1370 363.182,1371 203.141,1372 412.557,1373 588.55,1374 385,1375 7.18} {0 CHEMBL295121,1 1.69,2 13.938,3 4.88,4 23.817,5 125.375,6 8.299,7 0.529,8 4.12,9 4.213,10 3.895,11 3.746,12 5.224,13 3.689,14 4.649,15 4.79,16 4.173,17 4.126,18 5.98,19 4.041,20 4.929,21 5.116,22 4.173,23 4.266,24 6.026,25 4.135,26 4.995,27 5.219,28 4.059,29 4.203,30 6.079,31 4.07,32 4.923,33 5.127,34 4.062,35 4.162,36 5.992,37 4.037,38 4.949,39 5.178,40 4.112,41 4.159,42 6.042,43 4.032,44 4.946,45 5.18,46 3.978,47 4.131,48 5.981,49 3.996,50 4.896,51 5.119,52 3.988,53 4.082,54 5.986,55 3.959,56 0.113,57 0.778,58 12.91,59 5.759,60 23.104,61 6.669,62 0.424,63 1.245,64 21.631,65 9.665,66 79.468,67 11.827,68 0.388,69 1.567,70 36.68,71 13.79,72 72.719,73 16.377,74 0.512,75 1.633,76 41.095,77 14.21,78 91.101,79 17.325,80 0.485,81 1.512,82 36.389,83 12.926,84 94.432,85 15.519,86 0.531,87 1.528,88 35.755,89 13.222,90 91.579,91 17.157,92 0.49,93 1.525,94 37.501,95 13.466,96 93.379,97 16.809,98 0.537,99 1.442,100 35.019,101 12.197,102 97.036,103 14.938,104 28,105 46,106 0.275,107 0.588,108 0.758,109 0.855,110 0.88,111 0.886,112 3.502,113 1.072,114 -4.38,115 -4.31,116 -4.07,118 42.1,120 5,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 21,181 1,186 7,191 4,194 20,195 2,198 9,203 5,206 14,207 2,210 5,215 4,218 13,219 3,222 9,227 6,229 12,230 2,234 8,239 5,242 10,243 1,247 8,252 2,253 1,255 11,256 1,259 8,260 1,262 1,263 1,264 2,267 10,268 1,270 2072,271 21.109,272 21.109,273 21.109,274 21.109,275 21.109,276 18.416,277 20.921,278 12.749,279 21.486,280 16.828,281 16.828,282 16.828,283 16.828,284 16.828,285 12.719,286 18.871,287 6.134,288 17.5,289 4.143,290 2.217,291 1.172,292 0.575,293 0.421,294 0.386,295 4.183,297 1,299 1,300 1,301 936,302 4.359,306 373.642,313 1.949,314 42.338,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 69.333,326 446,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.397,334 12.404,335 3.062,336 4.214,337 3.637,338 5.816,339 3.846,340 2.846,341 3.85,342 0.242,343 8.426,344 2.845,345 3.896,346 2.997,347 5.353,348 3.514,349 2.523,350 3.443,352 7.005,353 2.501,354 3.835,355 2.898,356 5.15,357 3.316,358 2.401,359 3.393,361 6.386,362 2.292,363 3.613,364 2.722,365 5.133,366 3.3,367 2.3,368 2.842,370 6.32,371 2.16,372 3.378,373 2.372,374 4.996,375 3.09,376 2.094,377 2.624,379 5.988,380 2.084,381 3.169,382 2.282,383 4.732,384 2.766,385 1.765,386 2.342,388 4.767,389 1.75,390 3.083,391 1.931,392 4.359,393 2.604,394 1.665,395 2.291,397 4.386,398 1.502,399 2.91,400 1.572,401 3.642,402 2.449,403 1.483,404 2.078,406 3.141,407 1.429,408 2.5,409 1.473,410 3.625,411 2.325,412 1.348,413 1.5,415 2.958,416 1.3,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.499,427 1,428 3.247,429 1.956,430 1,431 1.487,433 2.136,434 0.954,435 1.825,436 0.805,437 3.152,438 1.61,439 0.617,440 0.722,442 1.453,443 0.612,444 1.564,445 0.713,446 3.118,447 1.378,448 0.414,449 0.458,451 0.964,452 0.397,453 1.185,454 0.65,455 2.708,456 0.858,457 -0.15,458 -0.183,460 -0.414,461 -0.142,462 15.681,463 0.49,464 0.857,465 0.027,466 41.5,467 1.297,468 22.5,469 0.703,470 19,471 0.594,472 27.635,473 0.864,474 34.719,475 0.609,476 32.529,477 1.017,478 7.992,479 0.25,480 7.323,481 0.229,482 0.131,483 0.053,484 0.223,487 0.578,488 1.189,489 0.729,490 1.102,491 0.675,492 0.919,493 0.481,494 1.078,495 0.795,496 0.988,497 0.451,498 1.016,499 0.908,500 1.139,501 1.122,502 1.166,503 0.874,504 1.129,505 0.977,506 0.999,507 1.008,508 1.033,509 0.958,510 1.013,511 1.046,512 1.068,513 0.818,514 0.988,515 1.146,516 1.081,517 0.59,518 1.014,519 0.663,520 0.947,521 0.659,522 1.001,523 0.933,524 0.967,525 0.827,526 0.913,527 0.917,528 0.949,529 1.164,530 0.922,531 0.884,532 0.844,533 1.17,534 0.938,535 8,536 0.239,537 2.889,538 2,539 1.347,540 0.938,541 0.611,542 0.417,543 0.37,544 0.282,545 15104,546 49910,547 2.004,548 43.9,549 6,550 11,552 2,553 2,554 2,555 2,558 1.745,559 1.873,560 3.743,561 0.208,567 96.339,568 1.69,569 3.616,570 4.661,571 5.258,572 5.412,573 5.447,574 3.204,575 4.351,576 4.971,577 3.924,578 1946.29,579 8.695,580 30431.6,585 332.475,586 1.501,587 4.922,588 0.235,589 0.007,590 0.063,591 0.045,592 0.034,593 0.025,594 0.016,595 0.011,596 0.01,597 0.008,598 0.454,599 0.17,600 0.75,601 0.887,602 171.769,603 0.037,604 -0.035,605 0.125,606 -0.017,607 -0.106,608 0.043,609 0.254,610 0.01,611 0.01,612 -0.011,613 0.266,614 -0.064,615 -0.099,616 -0.123,617 -0.136,618 -0.121,619 -0.062,620 -0.13,621 -0.094,622 -0.012,623 -0.072,624 -0.041,625 -0.039,626 -0.017,627 -0.124,628 -0.087,629 -0.034,630 -0.05,631 -0.143,632 -0.111,633 0.165,634 -0.073,635 0.147,636 -0.039,637 0.097,638 0.002,639 -0.063,640 -0.02,641 0.027,642 0.039,643 -0.046,644 0.053,645 -0.147,646 0.04,647 -0.006,648 0.08,649 -0.146,650 0.034,651 4.512,652 5.38,653 0.563,654 37.828,655 1.009,656 1.117,657 3.149,658 9.918,659 0.692,660 3.555,661 3.85,662 3.989,663 4.174,664 4.344,665 4.357,666 4.344,667 4.369,668 4.454,669 4.489,670 8.165,671 0.653,672 473.03,673 3.555,674 5.081,675 5.883,676 6.737,677 7.556,678 8.414,679 9.24,680 10.1,681 10.93,682 11.791,683 3.5,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 57,726 21,727 2,728 34,730 59,731 24,733 17,734 5,735 7,739 3,740 3,741 1,751 5,753 18,754 6,756 3,760 1,761 3,765 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 6,847 1,861 1,862 7,864 1,865 3,869 17.083,870 9.876,871 7.042,872 3.344,874 2.888,875 1.396,876 0.96,877 8.544,878 10.179,879 3.85,880 4.437,881 4.85,882 5.337,883 5.805,884 5.874,885 5.96,886 6.063,887 6.325,888 6.597,889 1,890 44,891 12.074,893 5.309,894 8.006,895 22.389,897 18.318,899 2.506,900 80.194,904 270.735,905 142.67,906 33.191,907 39.149,908 112.141,910 5.807,911 136.863,912 422.025,913 33.191,915 14.778,916 107.499,917 153.379,918 35.888,920 247.193,921 39.149,922 270.735,923 170.053,924 112.141,925 44.956,927 247.193,928 135.683,931 49.278,932 103.99,933 61.742,935 270.735,936 145.332,937 181.819,939 5.807,940 270.735,941 33.482,942 103.381,943 16.405,944 168.075,945 270.735,946 145.332,947 181.819,949 0.576,950 0.306,951 0.156,952 0.086,953 19,954 9,955 0.186,956 11,958 1,959 4.397,960 266.749,962 18,963 154,967 1,968 24.091,969 11.349,970 7.826,972 145.332,973 19.36,974 4.127,978 4.569,980 59.088,981 597.886,982 46,986 -3.595,987 35.963,991 -0.879,994 57.516,995 63.681,996 0.29,997 0.62,998 0.799,999 0.901,1000 0.928,1001 0.934,1002 5.066,1003 1.665,1004 5.878,1005 4.767,1006 4.533,1007 5.124,1008 2.35,1009 6.648,1010 4.458,1011 6.286,1012 1.483,1013 7.418,1014 4.386,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 4.025,1020 7.61,1021 1.348,1022 9.072,1023 3.141,1024 6.133,1025 7.369,1026 3.742,1027 10.72,1028 5.967,1029 8.976,1030 1,1031 10.803,1032 2.958,1033 6.608,1034 8.166,1035 4.213,1036 12.729,1037 6.306,1038 10.379,1039 1,1040 12.591,1041 2.275,1042 8.06,1043 9.967,1044 5.351,1045 15.343,1046 7.759,1047 11.81,1048 0.617,1049 14.422,1050 2.136,1051 8.918,1052 11.144,1053 6.05,1054 17.696,1055 8.472,1056 13.265,1057 0.414,1058 16.288,1059 1.453,1060 10.192,1061 12.776,1062 7.042,1063 20.23,1064 9.717,1065 3.374,1066 -0.15,1067 18.181,1068 0.964,1069 11.235,1070 14.139,1071 7.838,1072 22.694,1073 10.621,1074 2.846,1075 12.404,1076 20.096,1077 -0.414,1078 12.448,1079 15.707,1080 8.766,1081 25.213,1082 11.774,1083 2.523,1084 8.426,1085 22.028,1086 4.697,1087 13.579,1088 17.161,1089 9.604,1090 27.713,1091 12.775,1092 2.401,1093 7.005,1094 23.973,1095 3.85,1096 14.777,1097 18.706,1098 10.503,1099 30.229,1100 13.891,1101 2.3,1102 6.386,1103 25.929,1104 3.443,1105 15.948,1106 20.205,1107 11.361,1108 32.741,1109 14.942,1110 2.094,1111 6.32,1112 27.892,1113 3.393,1114 17.146,1115 21.744,1116 12.247,1117 35.258,1118 16.045,1119 1.765,1120 5.988,1121 29.861,1122 2.842,1123 18.336,1124 23.266,1125 13.113,1126 37.773,1127 17.12,1128 14731,1129 27000,1130 22.246,1131 39.472,1132 49.779,1133 51.491,1134 50.299,1135 49.881,1136 49.664,1137 66.455,1138 5.279,1139 137.218,1140 47.777,1141 5.766,1142 6.683,1143 7.095,1144 5.337,1145 5.374,1146 7.697,1147 4.03,1148 19.553,1149 5.062,1150 17.244,1151 1.464,1152 1.514,1153 1.479,1154 1.467,1155 1.461,1156 1.955,1157 0.155,1158 4.036,1159 1.405,1160 4.081,1161 4.073,1162 4.736,1163 4.066,1164 7.717,1165 3.986,1166 3.991,1167 4.004,1168 3.941,1169 3.942,1170 7.474,1171 3.925,1172 3.858,1173 3.898,1174 3.921,1175 3.767,1176 6.999,1177 3.768,1178 3.679,1179 3.709,1180 3.792,1181 3.592,1182 6.351,1183 3.537,1184 3.522,1185 3.53,1186 3.448,1187 3.39,1188 4.931,1189 3.359,1190 3.462,1191 3.495,1192 3.357,1193 3.308,1194 4.895,1195 3.308,1196 3.256,1197 3.299,1198 3.167,1199 3.084,1200 4.689,1201 3.081,1202 2.939,1203 3.001,1204 3.112,1205 2.789,1206 4.269,1207 2.775,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.071,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 2.397,1224 12.404,1225 3.062,1226 1.989,1227 1.972,1228 2.106,1229 2.07,1230 1.358,1231 2.089,1232 1.95,1233 1.952,1234 1.979,1235 2.014,1236 1.228,1237 2.052,1238 1.844,1239 1.808,1240 1.953,1241 1.959,1242 1.144,1243 1.967,1244 1.623,1245 1.583,1246 1.835,1247 1.797,1248 1.053,1249 1.819,1250 1.435,1251 1.416,1252 1.657,1253 1.649,1254 0.817,1255 1.642,1256 1.398,1257 1.386,1258 1.501,1259 1.557,1260 0.715,1261 1.597,1262 1.208,1263 1.171,1264 1.296,1265 1.412,1266 0.536,1267 1.431,1268 0.929,1269 0.87,1270 1.181,1271 1.139,1272 0.385,1273 1.172,1274 4.234,1276 5.533,1278 7.009,1280 8.567,1282 10.167,1285 5.815,1289 9.192,1290 3.04,1291 2.601,1300 37.238,1301 96.339,1302 206.117,1303 265.681,1304 299.72,1305 308.475,1306 310.475,1307 87.42,1308 7.29,1309 96.36,1310 104.74,1311 18,1312 12.348,1313 4.459,1314 3.7,1315 61.237,1316 154,1317 160,1318 0.184,1319 238.57,1320 418.46,1321 573.87,1322 15463,1323 1.8,1324 22.976,1325 0.718,1326 0.596,1327 23.726,1328 19.071,1329 15.315,1330 0.45,1331 0.357,1332 10.361,1333 13.818,1334 9.969,1335 8.256,1336 16.424,1337 12.155,1338 14.207,1339 0.309,1340 0.212,1341 15.939,1342 9.748,1343 10.317,1344 0.195,1345 0.126,1346 11.713,1347 6.68,1348 8.24,1349 0.129,1350 0.072,1351 9.273,1352 4.636,1353 6.322,1354 0.083,1355 0.044,1356 7.274,1357 3.331,1358 0.297,1359 106.355,1360 0.212,1361 30.577,1362 0.482,1363 160,1364 504.398,1365 223.911,1366 540.053,1367 700.8,1368 494,1369 179,1370 440.182,1371 241.974,1372 494.742,1373 705.92,1374 462,1375 8.155} {0 CHEMBL295364,1 1.489,2 9.895,3 3.24,4 10.5,5 74.834,6 6.982,7 0.5,8 3.682,9 3.804,10 3.18,11 3.206,12 4.789,13 3.173,14 4.196,15 4.377,16 3.455,17 3.563,18 5.351,19 3.487,20 4.444,21 4.697,22 3.341,23 3.65,24 5.324,25 3.518,26 4.436,27 4.7,28 3.234,29 3.604,30 5.254,31 3.448,32 4.394,33 4.67,34 3.007,35 3.471,36 5.218,37 3.292,38 4.252,39 4.532,40 2.91,41 3.32,42 5.09,43 3.153,44 4.097,45 4.362,46 2.831,47 3.189,48 4.998,49 3.041,50 3.961,51 4.221,52 2.742,53 3.054,54 4.92,55 2.92,56 0.023,57 0.518,58 8.044,59 3.434,60 7.44,61 4.64,62 0.184,63 0.817,64 14.334,65 5.581,66 35.718,67 7.878,68 0.174,69 0.94,70 19.466,71 7.138,72 30.458,73 10.362,74 0.15,75 0.919,76 19.356,77 7.158,78 27.698,79 10.49,80 0.204,81 0.836,82 19.045,83 6.606,84 35.819,85 9.695,86 0.185,87 0.712,88 16.622,89 5.717,90 32.578,91 8.362,92 0.166,93 0.617,94 14.131,95 4.785,96 29.17,97 6.937,98 0.15,99 0.534,100 12.337,101 4.135,102 27.384,103 5.951,104 13,105 25,106 0.271,107 0.632,108 0.8,109 0.88,110 0.899,111 0.899,112 3.007,113 0.985,114 -3.59,115 -3.56,116 -3.39,118 40.5,120 5,133 2,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 4,175 1,177 1,180 7,181 1,186 4,191 1,194 6,195 1,198 5,203 1,206 6,207 1,210 3,215 1,218 5,219 1,222 3,227 1,229 4,230 1,234 3,239 1,242 3,243 1,247 3,252 1,255 3,259 1,260 1,267 2,268 1,270 456,271 12.949,272 12.949,273 12.949,274 12.949,275 12.949,276 11.403,277 8.341,278 8.19,279 13.118,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.592,286 3.793,287 3.927,288 10.198,289 3.721,290 1.74,291 0.818,292 0.378,293 0.27,294 0.27,295 3.671,298 1,299 1,300 1,301 393,302 3.391,305 42.585,306 54.576,309 81.234,313 1.607,314 14.435,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 188,327 4.509,328 3.474,329 6.512,330 3.986,331 3.045,332 4.457,333 1.437,334 10.214,335 2.865,336 3.665,337 3.117,338 5.203,339 3.242,340 2.237,341 2.912,343 6.251,344 2.224,345 3.5,346 2.293,347 4.659,348 3.118,349 2.138,350 2.877,352 5.184,353 2.094,354 3.048,355 2.011,356 4.139,357 2.748,358 1.75,359 2.321,361 3.732,362 1.742,363 2.895,364 1.548,365 3.801,366 2.516,367 1.548,368 1.882,370 3.54,371 1.495,372 2.563,373 1.465,374 3.449,375 2.266,376 1.27,377 1.5,379 2.649,380 1.26,381 2.5,382 1,383 3.375,384 1.923,385 1,386 1.49,388 2.232,389 0.921,390 2.144,391 0.929,392 3.115,393 1.746,394 0.766,395 0.994,397 1.747,398 0.747,399 1.799,400 0.637,401 2.723,402 1.419,403 0.439,404 0.571,406 0.969,407 0.428,408 1.186,409 0.401,410 2.354,411 0.917,412 -0.08,413 -0.097,415 -0.176,416 -0.08,417 0.778,418 0.055,419 2.152,420 0.468,421 -0.526,422 -0.631,424 -1.196,425 -0.518,426 0.5,427 -0.316,428 1.762,429 0.073,430 -0.949,431 -1.058,433 -2,434 -0.901,435 0.487,436 -0.838,437 1.567,438 -0.037,439 -1,440 -1.405,442 -2.115,443 -0.947,444 0.165,445 -1,446 1.484,447 -0.053,448 -1,449 -1.5,451 -2.43,452 -1.007,453 -0.1,454 -1.267,455 1.046,456 -0.424,457 -1.41,458 -1.631,460 -3.238,461 -1.402,462 8.967,463 0.472,464 0.315,465 0.017,466 22.75,467 1.197,468 11,469 0.579,470 11.75,471 0.618,472 13.683,473 0.72,474 21.033,475 0.568,476 13.52,477 0.712,478 4.428,479 0.233,480 4.843,481 0.255,482 0.074,484 0.212,487 0.796,488 1.382,489 0.862,490 1.151,491 0.691,492 1.038,493 0.504,494 1.242,495 0.957,496 1.182,497 0.338,498 1.139,499 0.718,500 0.967,501 0.947,502 0.968,503 0.605,504 0.985,505 0.601,506 1.049,507 0.962,508 1.064,509 0.538,510 1.065,511 0.853,512 0.953,513 1.08,514 1.027,515 0.827,516 1.076,517 0.89,518 0.887,519 0.989,520 0.935,521 0.897,522 0.971,523 1.04,524 0.929,525 1.057,526 0.963,527 1.044,528 1.004,529 1.136,530 0.926,531 1.043,532 0.94,533 1.181,534 0.973,535 2.5,536 0.074,537 1.556,538 0.688,539 0.453,540 0.226,541 0.157,542 0.115,543 0.064,544 0.07,545 3711,546 10987,547 2.025,548 48.6,549 8,550 5,552 2,553 1,554 2,558 1.591,559 1.932,560 3.252,561 -0.301,563 1,565 1,567 55.088,568 1.489,569 3.469,570 4.391,571 4.831,572 4.939,573 4.939,574 2.65,575 4.037,576 4.218,577 3.475,578 594.14,579 7.128,580 6364.97,581 1,582 1,584 1,585 192.75,586 1.19,587 4.196,588 0.125,589 0.007,590 0.062,591 0.031,592 0.024,593 0.016,594 0.012,595 0.01,596 0.006,597 0.007,598 0.3,599 0.67,600 1,601 2.354,602 85.938,603 -0.052,604 -0.18,605 0.024,606 -0.038,607 -0.036,608 -0.007,609 0.214,610 -0.114,611 -0.047,612 -0.142,613 0.271,614 -0.137,615 -0.047,616 0.019,617 -0.012,618 0.027,619 0.01,620 0.016,621 -0.007,622 -0.085,623 -0.034,624 -0.07,625 -0.008,626 -0.058,627 -0.085,628 -0.024,629 -0.123,630 -0.067,631 -0.09,632 -0.094,633 -0.067,634 0.021,635 -0.021,636 0.022,637 -0.084,638 0.011,639 -0.115,640 0.005,641 -0.082,642 -0.008,643 -0.123,644 -0.034,645 -0.125,646 0.003,647 -0.058,648 0.014,649 -0.145,650 -0.008,651 2.535,652 3.277,653 0.474,654 15.474,655 0.998,656 1.128,657 2.358,658 5.561,659 0.649,660 3.045,661 3.258,662 3.434,663 3.638,664 3.689,665 3.664,666 3.664,667 3.664,668 3.401,669 3.401,670 6.163,671 0.613,672 258.35,673 3.045,674 4.511,675 5.303,676 6.129,677 6.948,678 7.787,679 8.621,680 9.469,681 10.313,682 11.168,683 5.4,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 37,726 12,728 20,730 38,731 15,733 7,736 3,739 2,740 3,751 5,753 10,754 5,756 2,761 1,763 2,765 1,768 1,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,822 2,830 1,832 1,840 19,845 1,846 5,862 5.4,864 1,865 1,869 9.833,870 6.35,871 4.389,872 2.35,874 2.386,875 1.388,876 0.928,877 5.018,878 8.528,879 3.332,880 3.855,881 4.408,882 4.967,883 5.339,884 5.577,885 5.854,886 6.133,887 5.563,888 5.635,889 1,890 22,891 6.985,893 2.813,894 7.842,895 13.427,897 10.588,899 2.342,900 44.5,901 0.001,904 200.109,905 83.531,906 18.072,908 67.828,911 83.531,912 267.937,913 18.072,915 12.673,916 47.381,917 117.684,918 10.334,919 4.901,920 176.567,922 200.109,923 101.603,924 67.828,927 200.109,928 67.828,931 31.625,932 34.24,933 35.738,935 200.109,936 85.9,937 83.531,940 200.109,941 18.483,942 66.334,944 84.614,945 200.109,946 85.9,947 83.531,949 0.55,950 0.296,951 0.158,952 0.076,953 10,954 4,955 0.184,956 7,957 1,958 1.222,959 3.339,960 121.459,961 0.222,962 9,963 80.711,968 13.66,969 6.979,970 4.126,971 1.127,972 84.614,973 9.939,974 4.145,978 1.274,980 42.683,981 369.54,982 27,987 10.277,989 2.936,991 -0.869,994 36.927,995 41.737,996 0.286,997 0.666,998 0.843,999 0.927,1000 0.948,1001 0.948,1002 4.494,1003 0.766,1004 5.22,1005 2.232,1006 3.932,1007 4.538,1008 1.635,1009 5.922,1010 3.872,1011 5.659,1012 0.439,1013 6.701,1014 1.747,1015 3.219,1016 4.205,1018 6.676,1019 3.088,1020 6.926,1021 -0.08,1022 8.294,1023 0.969,1024 5.389,1025 6.728,1026 2.253,1027 9.788,1028 5.245,1029 8.241,1030 -0.526,1031 9.964,1032 -0.176,1033 5.602,1034 7.392,1036 11.53,1037 5.348,1038 9.597,1039 -0.949,1040 11.688,1041 -1.196,1042 7.165,1043 9.304,1044 2.922,1045 14.125,1046 6.903,1047 10.985,1048 -1,1049 13.452,1050 -2,1051 7.849,1052 10.434,1054 16.232,1055 7.467,1056 12.398,1057 -1,1058 15.244,1059 -2.115,1060 9.147,1061 12.1,1062 3.619,1063 18.659,1064 8.745,1065 3.045,1066 -1.41,1067 17.057,1068 -2.43,1069 10.065,1070 13.44,1072 20.899,1073 9.553,1074 2.237,1075 10.214,1076 18.885,1077 -3.238,1078 11.251,1079 15.005,1080 4.33,1081 23.264,1082 10.703,1083 2.138,1084 6.251,1085 20.725,1086 4.457,1087 12.277,1088 16.434,1090 25.554,1091 11.635,1092 1.75,1093 5.184,1094 22.572,1095 2.912,1096 13.418,1097 17.959,1098 5.047,1099 27.896,1100 12.727,1101 1.548,1102 3.732,1103 24.426,1104 2.877,1105 14.492,1106 19.425,1108 30.205,1109 13.721,1110 1.27,1111 3.54,1112 26.284,1113 2.321,1114 15.616,1115 20.932,1116 5.769,1117 32.537,1118 14.789,1119 1,1120 2.649,1121 28.146,1122 1.882,1123 16.712,1124 22.415,1126 34.854,1127 15.813,1128 3756,1129 6534,1130 13.405,1131 24.012,1132 28.945,1133 29.132,1134 28.953,1135 28.375,1136 28.382,1137 38.007,1138 2.873,1139 73.036,1140 27.554,1141 5.407,1142 5.474,1143 6.376,1144 5.033,1145 5.045,1146 7.457,1147 2.873,1148 16.989,1149 4.841,1150 8.093,1151 1.447,1152 1.457,1153 1.448,1154 1.419,1155 1.419,1156 1.9,1157 0.144,1158 3.652,1159 1.378,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.476,1165 3.996,1166 3.773,1167 3.824,1168 3.655,1169 3.655,1170 6.351,1171 3.645,1172 3.569,1173 3.61,1174 3.451,1175 3.424,1176 5.051,1177 3.421,1178 3.352,1179 3.404,1180 3.249,1181 3.195,1182 4.38,1183 3.201,1184 3.232,1185 3.284,1186 3.09,1187 3.049,1188 4.303,1189 3.05,1190 2.962,1191 3.016,1192 2.82,1193 2.754,1194 4.009,1195 2.764,1196 2.713,1197 2.787,1198 2.514,1199 2.475,1200 3.72,1201 2.481,1202 2.447,1203 2.558,1204 2.191,1205 2.18,1206 3.37,1207 2.168,1208 0.225,1209 0.174,1210 0.326,1211 0.199,1212 0.152,1213 4.509,1214 0.223,1215 3.474,1216 0.072,1217 6.512,1218 0.511,1219 3.986,1220 0.143,1221 3.045,1222 4.457,1223 1.437,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.075,1229 2.089,1230 1.376,1231 2.084,1232 1.76,1233 1.711,1234 1.963,1235 1.908,1236 1.171,1237 1.931,1238 1.536,1239 1.492,1240 1.75,1241 1.712,1242 0.942,1243 1.72,1244 1.34,1245 1.283,1246 1.518,1247 1.569,1248 0.633,1249 1.552,1250 1.165,1251 1.103,1252 1.41,1253 1.435,1254 0.41,1255 1.43,1256 1.012,1257 0.951,1258 1.222,1259 1.199,1260 0.3,1261 1.214,1262 0.835,1263 0.775,1264 1.164,1265 1.138,1266 0.268,1267 1.149,1268 0.566,1269 0.494,1270 0.927,1271 0.881,1272 0.03,1273 0.909,1274 3.714,1276 4.949,1277 2.398,1278 6.365,1279 4.595,1280 7.883,1281 6.605,1282 9.467,1289 8.45,1290 5.106,1300 22.687,1301 55.088,1302 128.369,1303 162.485,1304 178.75,1305 182.75,1306 182.75,1307 28.402,1308 6.142,1309 54.6,1310 54.6,1311 11,1312 11.725,1313 3.7,1314 3,1315 34.187,1316 70,1317 66,1318 0.236,1319 143.885,1320 245.28,1321 342.841,1322 3450,1324 13.502,1325 0.711,1326 0.57,1327 13.502,1328 10.827,1329 9.271,1330 0.464,1331 0.328,1332 6.496,1333 8.958,1334 6.378,1335 5.337,1336 9.271,1337 6.566,1338 7.785,1339 0.311,1340 0.182,1341 7.785,1342 4.546,1343 5.83,1344 0.194,1345 0.103,1346 5.83,1347 3.096,1348 4.749,1349 0.128,1350 0.058,1351 4.749,1352 2.14,1353 3.357,1354 0.086,1355 0.035,1356 3.357,1357 1.346,1358 0.386,1359 57.817,1360 0.273,1361 19.837,1362 0.599,1363 90,1364 269.175,1365 98.619,1366 260.814,1367 346.64,1368 242,1369 100,1370 246.653,1371 107.515,1372 249.444,1373 356.31,1374 234,1375 7.398} {0 CHEMBL295512,1 1.865,2 11.645,3 2.876,4 8.271,5 114.119,6 8.85,7 0.618,8 4.045,9 4.135,10 3.877,11 3.608,12 5.239,13 3.599,14 4.564,15 4.695,16 4.183,17 3.998,18 6.008,19 3.978,20 4.799,21 4.965,22 4.177,23 4.121,24 6.034,25 4.055,26 4.879,27 5.072,28 4.151,29 4.122,30 6.11,31 4.046,32 4.819,33 5.003,34 4.16,35 4.087,36 6.022,37 4.032,38 4.832,39 5.022,40 4.198,41 4.078,42 6.235,43 4.03,44 4.799,45 5.001,46 4.084,47 4.03,48 6.003,49 3.967,50 4.782,51 4.978,52 3.992,53 3.933,54 6.043,55 3.856,56 0.189,57 0.845,58 10.029,59 4.703,60 28.167,61 4.762,62 0.585,63 1.341,64 16.565,65 7.513,66 75.753,67 8.146,68 0.652,69 1.595,70 25.535,71 10.603,72 84.585,73 11.219,74 0.85,75 1.615,76 32.133,77 11.467,78 96.543,79 12.608,80 0.663,81 1.502,82 27.432,83 10.71,84 98.367,85 12.23,86 0.916,87 1.562,88 26.068,89 9.977,90 130.66,91 11.893,92 0.663,93 1.468,94 28.934,95 10.38,96 70.099,97 12.411,98 0.926,99 1.392,100 28.735,101 9.896,102 115.483,103 10.919,104 29,105 49,106 0.308,107 0.67,108 0.821,109 0.879,110 0.879,111 0.879,112 3.472,113 0.96,114 -3.21,115 -3.2,116 -3.07,118 42,120 1,124 2,140 7,141 2,142 3,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 2,172 6,175 3,177 3,180 5,186 7,187 1,191 4,194 5,197 2,198 10,201 1,203 3,206 4,210 6,213 1,218 6,219 3,221 1,222 8,225 1,227 3,229 8,230 2,233 2,234 3,235 1,239 3,242 6,246 3,247 4,250 2,253 1,255 2,259 6,260 1,262 1,263 1,270 1734,271 20.488,272 20.488,273 20.488,274 20.488,275 20.488,276 17.499,277 22.101,278 11.987,279 21.002,280 16.814,281 16.814,282 16.814,283 16.814,284 16.814,285 12.232,286 24.205,287 5.762,288 17.692,289 3.779,290 1.584,291 0.673,292 0.32,293 0.32,294 0.32,295 4.162,299 1,300 1,301 774,302 4.123,305 158.395,306 192.787,309 133.131,313 1.786,314 49.076,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 69.5,326 361,327 4.858,328 4.686,329 7.308,330 4.318,331 3.396,332 4.715,333 2.341,334 12.51,335 3.15,336 4.653,337 3.6,338 6.765,339 4.176,340 3.209,341 4.614,342 0.522,343 11.14,344 3.06,345 3.936,346 3.3,347 5.648,348 3.485,349 2.561,350 3.492,352 7.569,353 2.375,354 3.851,355 2.876,356 5.44,357 3.399,358 2.442,359 3.406,361 7.142,362 2.324,363 3.706,364 2.719,365 5.247,366 3.291,367 2.327,368 3.148,370 6.413,371 2.234,372 3.553,373 2.514,374 5.082,375 3.178,376 2.196,377 2.835,379 6.155,380 2.127,381 3.423,382 2.2,383 4.822,384 2.982,385 2.012,386 2.679,388 5.262,389 1.938,390 3.078,391 1.826,392 4.636,393 2.607,394 1.645,395 2.288,397 4.844,398 1.569,399 2.96,400 1.645,401 4.561,402 2.48,403 1.508,404 2.126,406 4.462,407 1.456,408 2.632,409 1.296,410 3.792,411 2.163,412 1.216,413 1.682,415 2.868,416 1.149,417 2.5,418 1.102,419 3.414,420 2,421 1,422 1.5,424 2.34,425 1,426 2.391,427 1,428 3.391,429 1.931,430 0.962,431 1.343,433 2.275,434 0.929,435 2.118,436 0.914,437 3.232,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.733,445 0.657,446 3,447 1.468,448 0.486,449 0.57,451 1.11,452 0.472,453 1.308,454 0.618,455 2.947,456 0.959,457 0.007,458 0.009,460 0.02,461 0.007,462 14.552,463 0.469,464 0.943,465 0.03,466 43.5,467 1.403,468 23,469 0.742,470 20.5,471 0.661,472 23.031,473 0.743,474 33.448,475 0.669,476 36.375,477 1.173,478 8.702,479 0.281,480 6.113,481 0.197,482 0.111,483 0.057,484 0.295,486 1,487 0.627,488 1.246,489 0.756,490 1.192,491 0.643,492 0.899,493 0.611,494 0.999,495 0.847,496 0.931,497 0.479,498 0.911,499 1.012,500 1.097,501 1.135,502 1.109,503 0.938,504 1.12,505 0.951,506 0.882,507 1.189,508 1.044,509 0.917,510 1.036,511 0.808,512 0.911,513 0.856,514 1.003,515 0.867,516 1.006,517 0.688,518 0.814,519 0.787,520 0.89,521 0.645,522 0.968,523 0.729,524 0.942,525 0.963,526 1.076,527 0.694,528 1.017,529 1.059,530 0.863,531 1.14,532 0.954,533 1.149,534 1.047,535 8,536 0.255,537 3.778,538 2.549,539 1.596,540 1.251,541 0.904,542 0.598,543 0.492,544 0.296,545 12600,546 45267,547 2.057,548 38,550 11,551 2,552 2,553 2,554 2,558 1.741,559 1.908,560 3.495,561 0.289,563 1,567 93.244,568 1.865,569 4.06,570 4.971,571 5.324,572 5.324,573 5.324,574 2.95,575 4.349,576 4.92,577 3.671,578 1706.84,579 8.624,580 24320.7,582 1,584 1,585 282.193,586 1.595,587 4.87,588 0.235,589 0.008,590 0.077,591 0.055,592 0.035,593 0.027,594 0.019,595 0.014,596 0.014,597 0.009,598 0.494,599 0.33,600 1,601 1.064,602 160.583,603 -0.012,604 -0.186,605 0.166,606 -0.087,607 -0.104,608 0.015,609 0.13,610 0.03,611 -0.01,612 0.032,613 0.197,614 -0.015,615 -0.169,616 -0.099,617 -0.158,618 -0.077,619 -0.102,620 -0.143,621 -0.098,622 0.04,623 -0.134,624 -0.008,625 -0.068,626 -0.034,627 -0.049,628 -0.096,629 0.053,630 -0.042,631 -0.073,633 0.147,634 0.104,635 0.085,636 0.023,637 0.154,638 0.007,639 0.017,640 -0.074,641 0.022,642 -0.085,643 0.01,644 0.006,645 -0.082,646 -0.01,647 -0.106,648 0.025,649 -0.161,650 -0.063,651 4.809,652 5.656,653 0.645,654 34.123,655 1.027,656 1.128,657 1.979,658 3.918,659 0.69,660 3.555,661 3.912,662 4.143,663 4.419,664 4.625,665 4.787,666 4.963,667 5.118,668 5.198,669 5.268,670 6.946,671 0.675,672 442.51,673 3.555,674 5.118,675 5.964,676 6.858,677 7.728,678 8.629,679 9.512,680 10.417,681 11.308,682 12.216,683 8,688 1,691 2,693 1,698 2,699 11,700 1,704 4,705 2,706 21,723 1,724 50,726 24,727 2,728 34,730 53,731 21,733 17,734 5,735 7,739 4,740 5,751 1,753 18,754 3,756 3,760 1,761 3,765 1,769 1,770 1,772 19,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,818 1,830 1,832 3,834 1,838 1,840 31,844 1,845 1,846 3,847 1,861 1,862 8,864 1,865 3,869 16.25,870 8.776,871 6.625,872 2.732,874 3.576,875 1.46,876 1.001,877 5.919,878 11.347,879 3.882,880 4.554,881 5.094,882 5.706,883 6.186,884 6.584,885 7.042,886 7.464,887 7.745,888 8.081,889 0.875,890 46,891 11.771,893 5.442,894 8.196,895 21.214,897 17.712,899 2.696,900 83.583,903 1,904 200.109,905 136.889,906 36.989,908 112.141,909 14.96,910 5.807,911 131.082,912 312.25,913 51.949,915 6.746,916 90.236,917 178.402,918 32.033,919 40.646,920 153.024,922 200.109,923 168.07,924 127.101,925 5.807,927 215.069,928 112.141,931 28.21,932 106.67,933 38.998,935 215.069,936 149.13,937 136.889,939 5.807,940 200.109,941 28.987,942 105.893,943 16.405,944 143.887,945 200.109,946 164.09,947 136.889,949 0.591,950 0.324,951 0.169,952 0.093,953 24,954 11,955 0.151,956 8,957 1,958 1.1,959 4.173,960 282.762,961 0.1,962 20,963 145.58,967 1,968 21.253,969 8.634,970 4.853,971 1.583,972 160.292,973 16.638,974 4.031,978 0.666,979 3.708,980 59.088,981 501.088,982 47.5,986 -3.893,987 36.325,991 -0.901,994 51.374,995 56.412,996 0.33,997 0.719,998 0.881,999 0.943,1000 0.943,1001 0.943,1002 5.125,1003 1.645,1004 5.989,1005 5.262,1006 4.595,1007 5.242,1008 2.313,1009 6.838,1010 4.496,1011 6.383,1012 1.508,1013 7.577,1014 4.844,1015 4.369,1016 5.33,1017 2.243,1018 8.003,1019 4.179,1020 7.739,1021 1.216,1022 9.276,1023 4.462,1024 6.267,1025 7.591,1026 3.632,1027 11.049,1028 6.053,1029 9.136,1030 1,1031 11.046,1032 2.868,1033 6.847,1034 8.505,1035 4.112,1036 13.07,1037 6.529,1038 10.569,1039 0.962,1040 12.864,1041 2.34,1042 8.273,1043 10.29,1044 5.202,1045 15.72,1046 7.927,1047 12.028,1048 0.618,1049 14.717,1050 2.275,1051 9.206,1052 11.562,1053 5.889,1054 18.056,1055 8.761,1056 13.508,1057 0.486,1058 16.597,1059 1.372,1060 10.472,1061 13.185,1062 6.849,1063 20.598,1064 9.986,1065 3.396,1066 0.007,1067 18.498,1068 1.11,1069 11.56,1070 14.613,1071 7.625,1072 23.042,1073 10.986,1074 3.209,1075 12.51,1076 20.415,1077 0.02,1078 12.775,1079 16.179,1080 8.526,1081 25.555,1082 12.147,1083 2.561,1084 11.14,1085 22.345,1086 4.715,1087 13.929,1088 17.672,1089 9.342,1090 28.039,1091 13.222,1092 2.442,1093 7.569,1094 24.285,1095 4.614,1096 15.132,1097 19.22,1098 10.216,1099 30.546,1100 14.363,1101 2.327,1102 7.142,1103 26.232,1104 3.492,1105 16.314,1106 20.741,1107 11.051,1108 33.045,1109 15.471,1110 2.196,1111 6.413,1112 28.185,1113 3.406,1114 17.516,1115 22.283,1116 11.912,1117 35.553,1118 16.606,1119 2.012,1120 6.155,1121 30.144,1122 3.148,1123 18.711,1124 23.815,1125 12.755,1126 38.06,1127 17.729,1128 12135,1129 23160,1130 22.364,1131 34.517,1132 51.663,1133 53,1134 52.101,1135 51.299,1136 51.17,1137 70.666,1138 5.725,1139 150.965,1140 48.735,1141 5.691,1142 6.686,1143 6.922,1144 5.379,1145 5.396,1146 7.715,1147 3.925,1148 19.861,1149 5.15,1150 16.622,1151 1.519,1152 1.559,1153 1.532,1154 1.509,1155 1.505,1156 2.078,1157 0.168,1158 4.44,1159 1.433,1160 4.183,1161 4.211,1162 4.737,1163 4.114,1164 8.201,1165 4.094,1166 4.037,1167 4.024,1168 4.113,1169 4,1170 7.717,1171 3.942,1172 3.877,1173 3.942,1174 3.821,1175 3.673,1176 7.474,1177 3.701,1178 3.677,1179 3.701,1180 3.723,1181 3.554,1182 6.999,1183 3.519,1184 3.582,1185 3.583,1186 3.525,1187 3.421,1188 6.351,1189 3.409,1190 3.354,1191 3.374,1192 3.31,1193 3.233,1194 4.981,1195 3.226,1196 3.098,1197 3.147,1198 2.991,1199 2.877,1200 4.873,1201 2.898,1202 2.854,1203 2.925,1204 2.692,1205 2.735,1206 4.584,1207 2.715,1208 0.143,1209 0.138,1210 0.215,1211 0.127,1212 0.1,1213 4.858,1214 0.139,1215 4.686,1216 0.069,1217 7.308,1218 0.368,1219 4.318,1220 0.093,1221 3.396,1222 4.715,1223 2.341,1224 12.51,1225 3.15,1226 1.989,1227 1.988,1228 2.031,1229 2.073,1230 1.242,1231 2.092,1232 1.905,1233 1.892,1234 1.959,1235 1.987,1236 1.147,1237 1.999,1238 1.722,1239 1.667,1240 1.883,1241 1.919,1242 1.128,1243 1.911,1244 1.551,1245 1.512,1246 1.73,1247 1.771,1248 0.921,1249 1.763,1250 1.406,1251 1.428,1252 1.502,1253 1.583,1254 0.562,1255 1.603,1256 1.324,1257 1.272,1258 1.399,1259 1.531,1260 0.547,1261 1.524,1262 1.238,1263 1.176,1264 1.231,1265 1.496,1266 0.385,1267 1.468,1268 0.986,1269 0.954,1270 1.181,1271 1.213,1272 0.259,1273 1.207,1274 4.234,1276 5.58,1277 3.045,1278 7.098,1279 5.352,1280 8.698,1281 7.413,1282 10.349,1286 13.131,1289 9.032,1290 0.744,1291 2.519,1300 33.73,1301 93.244,1302 202.978,1303 248.541,1304 266.193,1305 266.193,1306 266.193,1307 75.045,1308 7.771,1309 106.22,1310 114.6,1311 22,1312 12.736,1313 4.644,1314 3.858,1315 49.203,1316 126,1317 141,1318 0.188,1319 208.853,1320 356.16,1321 501.362,1322 24511,1323 2,1324 22.01,1325 0.71,1326 0.551,1327 21.39,1328 17.088,1329 14.815,1330 0.436,1331 0.32,1332 9.355,1333 13.342,1334 9.081,1335 7.472,1336 15.242,1337 10.877,1338 14.27,1339 0.291,1340 0.178,1341 14.948,1342 8.7,1343 11.042,1344 0.178,1345 0.1,1346 11.735,1347 6.216,1348 9.148,1349 0.112,1350 0.054,1351 10.031,1352 4.416,1353 7.103,1354 0.07,1355 0.03,1356 7.783,1357 3.03,1358 0.292,1359 102.187,1360 0.211,1361 29.026,1362 0.522,1363 166,1364 609.596,1365 223.107,1366 580.395,1367 765.22,1368 532,1369 194,1370 520.202,1371 257.985,1372 555.892,1373 804.28,1374 519,1375 7.469} {0 CHEMBL295673,1 1.547,2 8.474,3 2.019,4 4.078,5 71.731,6 8.138,7 0.762,8 3.557,9 3.654,10 3.2,11 3.153,12 4.782,13 3.149,14 4.02,15 4.155,16 3.536,17 3.539,18 5.319,19 3.513,20 4.217,21 4.381,22 3.469,23 3.64,24 5.342,25 3.56,26 4.303,27 4.524,28 3.34,29 3.538,30 5.381,31 3.443,32 4.106,33 4.32,34 3.239,35 3.373,36 5.213,37 3.292,38 3.978,39 4.194,40 3.065,41 3.18,42 5.139,43 3.104,44 3.773,45 4.009,46 2.777,47 2.923,48 4.869,49 2.843,50 3.396,51 3.612,52 2.524,53 2.644,54 4.445,55 2.56,56 0.041,57 0.427,58 5.158,59 2.646,60 7.912,61 3.05,62 0.211,63 0.694,64 9.194,65 4.127,66 29.843,67 4.976,68 0.093,69 0.789,70 12.014,71 5.85,72 16.804,73 7.317,74 0.223,75 0.835,76 16.071,77 6.33,78 36.799,79 8.134,80 0.14,81 0.687,82 12.799,83 5.266,84 24.516,85 6.847,86 0.144,87 0.611,88 11.333,89 4.362,90 23.238,91 5.581,92 0.179,93 0.488,94 10.057,95 3.5,96 28.983,97 4.436,98 0.051,99 0.344,100 6.041,101 2.451,102 10.39,103 3.272,104 6,105 29,106 0.287,107 0.631,108 0.79,109 0.895,110 0.907,111 0.907,112 3.01,113 0.849,114 -3.7,115 -3.67,116 -3.49,118 48.4,124 1,140 6,141 4,143 1,149 1,154 1,156 1,163 1,167 1,168 11,169 1,171 1,172 2,175 1,177 1,180 14,181 2,186 4,191 2,194 12,195 2,198 5,203 2,206 6,207 2,210 6,215 2,218 2,219 2,222 6,227 2,230 1,234 4,239 1,247 2,248 1,258 1,259 1,262 1,270 370,271 12.878,272 12.878,273 12.878,274 12.878,275 12.878,276 10.873,277 10.659,278 7.642,279 13.06,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 7.392,286 15.208,287 3.662,288 10.671,289 3.407,290 1.55,291 0.694,292 0.129,293 0.065,294 0.065,295 3.69,298 1,299 1,300 1,301 348,302 2.55,305 49.253,306 89.928,310 76.776,313 1.657,314 15.921,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41,326 161,327 4.464,328 3.58,329 6.259,330 4,331 3.001,332 4.388,333 1.437,334 9.478,335 2.997,336 4.025,337 3.016,338 5.833,339 3.648,340 2.673,341 3.543,342 0.522,343 7.988,344 2.618,345 3.898,346 2.732,347 5.532,348 3.457,349 2.499,350 3.395,352 7.437,353 2.376,354 3.491,355 2.241,356 5.004,357 3.049,358 2.07,359 2.862,361 5.945,362 2.013,363 3.118,364 1.819,365 4.429,366 2.618,367 1.618,368 2.427,370 4.398,371 1.618,372 2.779,373 1.618,374 3.794,375 2.249,376 1.249,377 1.796,379 2.933,380 1.231,381 2.586,382 1.232,383 3.436,384 2.084,385 1.152,386 1.618,388 2.558,389 1.071,390 2.196,391 0.741,392 3.263,393 1.7,394 0.703,395 1.041,397 1.691,398 0.7,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.352,409 0.461,410 2.753,411 0.969,412 -0.01,413 -0.014,415 -0.028,416 -0.01,417 0.882,418 0.177,419 2.378,420 0.4,421 -0.574,422 -0.757,424 -1.515,425 -0.552,426 0.803,427 -0.461,428 2.241,429 0.382,430 -0.618,431 -0.927,433 -1.836,434 -0.618,435 0.466,436 -0.618,437 2.086,438 0.003,439 -1,440 -1.3,442 -2,443 -0.956,444 0.386,445 -0.952,446 1.66,447 -0.069,448 -1.046,449 -1.502,451 -2.925,452 -1.043,453 0.042,454 -1.234,455 1.336,456 -0.371,457 -1.349,458 -1.839,460 -3.528,461 -1.324,462 8.967,463 0.472,464 0.452,465 0.024,466 27.75,467 1.461,468 15.5,469 0.816,470 12.25,471 0.645,472 10.473,473 0.551,474 19.233,475 0.62,476 17.873,477 0.941,478 5.725,479 0.301,480 3.496,481 0.184,482 0.074,484 0.323,487 0.791,488 1.175,489 0.711,490 0.928,491 0.711,492 0.829,493 0.591,494 0.829,495 0.858,496 0.826,497 0.393,498 0.859,499 0.64,500 1.148,501 1.062,502 1.255,503 0.629,504 1.244,505 0.94,506 0.921,507 1.032,508 0.987,509 0.93,510 1.02,511 0.791,512 1.049,513 0.906,514 1.055,515 0.795,516 1.017,517 0.993,518 1.123,519 1.039,520 1.107,521 0.919,522 1.083,523 1.261,524 0.865,525 1.051,526 0.819,527 1.241,528 0.879,529 0.658,530 1.293,531 0.96,532 1.233,533 0.654,534 1.164,535 4,536 0.046,537 1.778,538 0.972,539 0.982,540 0.459,541 0.303,542 0.17,543 0.079,544 0.087,545 3454,546 10753,547 2.113,548 38.7,550 8,551 1,552 2,553 1,558 1.598,559 2,560 3.092,561 -0.301,563 1,564 1,565 1,567 47.957,568 1.547,569 3.405,570 4.26,571 4.825,572 4.89,573 4.89,574 2.55,575 3.932,576 4.216,577 3.24,578 554.007,579 7.16,580 5405.55,581 1,582 1,584 1,585 153.58,586 1.324,587 4.189,588 0.19,589 0.008,590 0.061,591 0.037,592 0.045,593 0.023,594 0.019,595 0.014,596 0.009,597 0.014,598 0.421,599 0.83,600 1,601 0.789,602 82.717,603 -0.081,604 -0.131,605 0.023,606 0.006,607 -0.096,608 0.024,609 0.135,610 0.256,611 -0.065,612 0.095,613 0.204,614 0.01,615 -0.032,616 -0.203,617 -0.216,618 -0.27,619 -0.003,620 -0.276,621 -0.084,622 0.008,623 -0.027,624 0.008,625 -0.066,626 0.004,627 0.001,628 -0.13,629 0.08,630 -0.056,631 0.006,632 0.009,633 -0.07,634 -0.168,635 -0.032,636 -0.137,637 -0.012,638 -0.087,639 -0.176,640 0.088,641 0.024,642 0.158,643 -0.158,644 0.135,645 0.04,646 -0.334,647 0.015,648 -0.261,649 -0.017,650 -0.154,651 2.565,652 3.913,653 0.789,654 15.125,655 1.009,656 1.113,657 2.469,658 6.095,659 0.701,660 3.091,661 3.401,662 3.638,663 3.871,664 4.06,665 4.127,666 4.248,667 4.331,668 4.382,669 4.29,670 5.149,671 0.681,672 252.29,673 3.091,674 4.615,675 5.451,676 6.315,677 7.169,678 8.037,679 8.898,680 9.767,681 10.631,682 11.502,683 6.5,691 1,693 1,698 2,699 9,700 1,704 2,705 1,706 16,714 1,724 31,726 17,727 2,728 21,730 33,731 15,733 13,734 4,735 6,736 1,739 3,740 4,753 14,754 1,756 1,761 1,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 0.667,785 2,801 1,802 2,806 1,830 1,832 2,840 19,845 1,846 1,862 6.5,864 1,865 1,869 9.5,870 5.517,871 4.139,872 1.708,874 3.129,875 1.474,876 0.989,877 2.957,878 9.734,879 3.434,880 4.073,881 4.674,882 5.279,883 5.809,884 6.173,885 6.624,886 7.034,887 7.414,888 7.502,889 0.833,890 26,891 6.973,893 2.974,894 7.912,895 13.124,897 10.717,899 2.412,900 45.833,901 0.001,904 129.482,905 98.104,906 18.685,908 67.828,911 98.104,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 22.464,919 11.771,920 94.169,922 129.482,923 116.788,924 67.828,927 129.482,928 67.828,931 21.671,932 78.332,933 16.786,935 129.482,936 86.513,937 98.104,940 129.482,941 14.533,942 85.47,944 84.614,945 129.482,946 86.513,947 98.104,949 0.581,950 0.33,951 0.171,952 0.089,953 15,954 6,955 0.091,956 3,957 1,958 1.133,959 3.231,960 138.224,961 0.133,962 15,963 80.711,968 11.785,969 4.767,970 2.453,971 1.983,972 84.614,973 16.638,974 4.009,978 1.475,979 1.993,980 42.683,981 314.099,982 30,987 10.913,991 -0.899,994 31.276,995 34.491,996 0.312,997 0.687,998 0.86,999 0.974,1000 0.987,1001 0.987,1002 4.635,1003 0.703,1004 5.425,1005 2.558,1006 4.078,1007 4.758,1008 1.736,1009 6.192,1010 4.033,1011 5.855,1012 0.618,1013 6.956,1014 1.691,1015 3.611,1016 4.543,1018 6.974,1019 3.559,1020 7.16,1021 -0.01,1022 8.581,1023 1.372,1024 5.631,1025 7.011,1026 2.269,1027 10.027,1028 5.556,1029 8.502,1030 -0.574,1031 10.261,1032 -0.028,1033 5.969,1034 7.636,1036 11.603,1037 5.889,1038 9.871,1039 -0.618,1040 11.976,1041 -1.515,1042 7.444,1043 9.537,1044 2.925,1045 14.144,1046 7.35,1047 11.262,1048 -1,1049 13.712,1050 -1.836,1051 8.153,1052 10.571,1054 16.061,1055 8.058,1056 12.667,1057 -1.046,1058 15.464,1059 -2,1060 9.399,1061 12.23,1062 3.619,1063 18.411,1064 9.297,1065 3.001,1066 -1.349,1067 17.228,1068 -2.925,1069 10.29,1070 13.478,1072 20.49,1073 10.191,1074 2.673,1075 9.478,1076 19,1077 -3.528,1078 11.436,1079 15.028,1080 4.33,1081 22.766,1082 11.334,1083 2.499,1084 7.988,1085 20.779,1086 4.388,1087 12.42,1088 16.387,1090 24.924,1091 12.321,1092 2.07,1093 7.437,1094 22.564,1095 3.543,1096 13.524,1097 17.891,1098 5.047,1099 27.173,1100 13.425,1101 1.618,1102 5.945,1103 24.354,1104 3.395,1105 14.554,1106 19.307,1108 29.371,1109 14.46,1110 1.249,1111 4.398,1112 26.148,1113 2.862,1114 15.642,1115 20.792,1116 5.769,1117 31.611,1118 15.55,1119 1.152,1120 2.933,1121 27.945,1122 2.427,1123 16.698,1124 22.238,1126 33.83,1127 16.61,1128 3352,1129 5993,1130 14.216,1131 21.727,1132 31.633,1133 31.983,1134 31.384,1135 31.148,1136 31.167,1137 43.996,1138 3.916,1139 87.602,1140 30.401,1141 5.232,1142 5.58,1143 5.874,1144 5.035,1145 5.001,1146 7.388,1147 2.873,1148 15.94,1149 4.997,1150 7.587,1151 1.506,1152 1.523,1153 1.494,1154 1.483,1155 1.484,1156 2.095,1157 0.186,1158 4.172,1159 1.448,1160 4.108,1161 4.132,1162 4.064,1163 4.062,1164 7.475,1165 4.059,1166 3.891,1167 3.951,1168 3.836,1169 3.696,1170 6.351,1171 3.723,1172 3.563,1173 3.58,1174 3.512,1175 3.449,1176 4.97,1177 3.457,1178 3.185,1179 3.193,1180 3.113,1181 2.998,1182 4.847,1183 3.006,1184 3.071,1185 3.129,1186 2.948,1187 2.933,1188 4.258,1189 2.946,1190 2.758,1191 2.821,1192 2.61,1193 2.499,1194 3.864,1195 2.523,1196 2.573,1197 2.652,1198 2.4,1199 2.437,1200 3.614,1201 2.418,1202 2.473,1203 2.571,1204 2.263,1205 2.278,1206 3.351,1207 2.265,1208 0.213,1209 0.17,1210 0.298,1211 0.19,1212 0.143,1213 4.464,1214 0.209,1215 3.58,1216 0.068,1217 6.259,1218 0.451,1219 4,1220 0.143,1221 3.001,1222 4.388,1223 1.437,1224 9.478,1225 2.997,1226 2.084,1227 2.067,1228 2.161,1229 2.14,1230 1.323,1231 2.148,1232 1.651,1233 1.61,1234 1.791,1235 1.834,1236 0.976,1237 1.822,1238 1.408,1239 1.364,1240 1.561,1241 1.596,1242 0.623,1243 1.578,1244 1.284,1245 1.216,1246 1.454,1247 1.524,1248 0.425,1249 1.508,1250 1.101,1251 1.069,1252 1.295,1253 1.315,1254 0.345,1255 1.293,1256 0.936,1257 0.909,1258 1.13,1259 1.163,1260 0.179,1261 1.17,1262 0.609,1263 0.55,1264 0.942,1265 0.89,1266 0.01,1267 0.923,1268 0.577,1269 0.496,1270 0.929,1271 0.805,1273 0.857,1274 3.761,1276 5.069,1277 2.398,1278 6.564,1279 4.443,1280 8.148,1281 6.26,1282 9.781,1289 8.96,1290 0.761,1300 21.106,1301 47.957,1302 105.541,1303 132.07,1304 149.58,1305 151.58,1306 151.58,1307 24.484,1308 6.605,1309 55.12,1310 55.12,1311 17,1312 12.046,1313 4.17,1314 3.322,1315 27.959,1316 60,1317 47,1318 0.242,1319 130.637,1320 216.74,1321 310.515,1322 5637,1324 13.242,1325 0.697,1326 0.534,1327 13.242,1328 10.153,1329 9.22,1330 0.439,1331 0.283,1332 5.865,1333 8.905,1334 5.739,1335 4.764,1336 9.22,1337 5.94,1338 8.403,1339 0.29,1340 0.153,1341 8.403,1342 4.436,1343 6.846,1344 0.185,1345 0.083,1346 6.846,1347 3.076,1348 5.56,1349 0.118,1350 0.045,1351 5.56,1352 2.118,1353 4.278,1354 0.075,1355 0.025,1356 4.278,1357 1.416,1358 0.376,1359 57.589,1360 0.265,1361 19.113,1362 0.672,1363 100,1364 303.175,1365 107.953,1366 297.351,1367 400.34,1368 276,1369 116,1370 288.596,1371 123.513,1372 296.767,1373 427.38,1374 277,1375 7.469} {0 CHEMBL295698,1 1.706,2 15.028,3 3.61,4 13.035,5 138.067,6 8.304,7 0.425,8 4.276,9 4.379,10 3.94,11 3.789,12 5.334,13 3.782,14 4.862,15 5.02,16 4.354,17 4.19,18 5.917,19 4.176,20 5.114,21 5.293,22 4.399,23 4.358,24 6.118,25 4.294,26 5.176,27 5.357,28 4.507,29 4.4,30 6.213,31 4.317,32 5.244,33 5.472,34 4.347,35 4.398,36 6.172,37 4.294,38 5.178,39 5.414,40 4.349,41 4.346,42 6.105,43 4.237,44 5.035,45 5.248,46 4.264,47 4.199,48 6.066,49 4.105,50 4.832,51 5.032,52 4.031,53 4.036,54 5.874,55 3.941,56 0.088,57 0.917,58 11.542,59 5.797,60 9.979,61 7.18,62 0.594,63 1.492,64 26.364,65 9.54,66 35.544,67 11.837,68 0.964,69 1.737,70 40.367,71 13.316,72 62.816,73 16.239,74 0.932,75 1.81,76 47.379,77 15.359,78 80.283,79 18.91,80 0.949,81 1.913,82 49.422,83 16.355,84 77.609,85 21.609,86 0.848,87 1.803,88 48.686,89 15.436,90 63.581,91 20.529,92 0.82,93 1.493,94 45.412,95 13.071,96 67.062,97 16.625,98 0.72,99 1.241,100 34.129,101 10.701,102 56.139,103 13.371,104 18,105 57,106 0.272,107 0.584,108 0.758,109 0.84,110 0.86,111 0.86,112 3.615,113 0.948,114 -4.23,115 -4.17,116 -3.94,118 40.6,119 1,124 7,126 1,130 1,140 7,141 1,142 4,143 1,149 1,154 1,156 1,168 4,171 3,172 8,180 9,185 4,186 7,194 5,197 1,198 7,206 3,209 4,210 10,221 1,222 10,234 11,242 4,246 3,247 4,255 6,258 1,259 4,267 8,270 2544,271 24.316,272 24.316,273 24.316,274 24.316,275 24.316,276 22.023,277 31.147,278 14.168,279 25.138,280 19.719,281 19.719,282 19.719,283 19.719,284 19.719,285 16.371,286 37.641,287 6.706,288 21.166,289 4.294,290 2.337,291 1.244,292 0.731,293 0.606,294 0.606,295 4.319,297 2,300 1,301 1185,302 3.674,305 229.942,306 409.291,313 2.25,314 37.374,317 0.75,318 0.83,319 0.83,320 0.9,321 0.5,322 0.83,323 1,324 0.81,325 78.667,326 541,327 4.673,328 4.131,329 7.723,330 4.546,331 3.565,332 4.082,333 1.94,334 14.392,335 3.495,336 4.149,337 3.67,338 6.162,339 3.856,340 2.913,341 3.693,342 1.877,343 9.107,344 2.748,345 3.99,346 3.126,347 5.889,348 3.633,349 2.677,350 3.507,351 0.86,352 8.075,353 2.557,354 3.89,355 3.105,356 5.868,357 3.555,358 2.643,359 3.206,360 0.8,361 7.988,362 2.368,363 3.824,364 2.885,365 5.407,366 3.411,367 2.495,368 3.059,369 0.555,370 7.125,371 2.28,372 3.658,373 2.683,374 5.319,375 3.321,376 2.399,377 2.909,378 0.532,379 6.859,380 2.201,381 3.379,382 2.61,383 5.172,384 3.124,385 2.195,386 2.558,388 6.365,389 2.01,390 3.12,391 2.418,392 4.886,393 2.742,394 1.878,395 2.198,397 5.351,398 1.59,399 2.895,400 2.273,401 4.414,402 2.607,403 1.629,404 1.932,406 4.325,407 1.522,408 2.726,409 1.712,410 4.174,411 2.256,412 1.307,413 1.814,415 3.389,416 1.194,417 2.553,418 1.609,419 3.745,420 2.112,421 1.171,422 1.572,424 2.761,425 1.093,426 2.5,427 1.461,428 3.729,429 2.076,430 1.119,431 1.5,433 2.598,434 1.061,435 2.375,436 1.259,437 3.603,438 2,439 1,440 1.299,442 2.275,443 1,444 2.118,445 1.146,446 3.414,447 1.967,448 1,449 1,451 2.275,452 0.965,453 2,454 1.142,455 3.414,456 1.701,457 0.818,458 0.927,460 1.974,461 0.713,462 17.362,463 0.482,464 0.929,465 0.026,466 43.5,467 1.208,468 18.5,469 0.514,470 25,471 0.694,472 35.568,473 0.988,474 39.638,475 0.619,476 34.776,477 0.966,478 8.716,479 0.242,480 8.699,481 0.242,482 0.13,483 0.029,484 0.271,487 0.777,488 1.565,489 0.583,490 1.116,491 0.611,492 0.973,493 1.128,494 1.071,495 0.716,496 0.833,497 0.699,498 0.83,499 1.332,500 0.887,501 1.017,502 0.902,503 1.149,504 0.977,505 1.044,506 1.165,507 0.884,508 1.151,509 1.061,510 1.134,511 0.897,512 0.945,513 0.807,514 0.938,515 0.913,516 0.957,517 0.794,518 0.958,519 0.833,520 0.954,521 0.555,522 0.935,523 1.152,524 0.974,525 1.143,526 1.068,527 0.88,528 1.012,529 1.246,530 0.9,531 1.116,532 0.951,533 1.201,534 1.003,535 8.5,536 0.162,537 4.667,538 2.604,539 1.623,540 1.549,541 0.763,542 0.534,543 0.398,544 0.254,545 22012,546 64870,547 2.113,548 43.8,550 22,551 1,552 2,554 3,558 1.771,559 1.991,560 3.798,561 -0.717,567 109.183,568 1.706,569 3.663,570 4.756,571 5.269,572 5.394,573 5.394,574 3.256,575 4.725,576 5.139,577 4.043,578 2546.83,579 9.014,580 42292.7,585 384,586 1.463,587 5.103,588 0.213,589 0.005,590 0.082,591 0.047,592 0.03,593 0.029,594 0.015,595 0.012,596 0.011,597 0.007,598 0.45,599 0.33,600 0.75,601 0.639,602 199.517,603 -0.034,604 -0.349,605 0.039,606 -0.15,607 -0.036,608 -0.048,609 -0.058,610 0.074,611 0.026,612 0.08,613 0.032,614 0.062,615 -0.143,616 0.146,617 -0.123,618 0.053,619 -0.141,620 -0.047,621 0.039,622 -0.189,623 0.026,624 -0.158,625 -0.011,626 -0.159,627 0.043,628 0.001,629 0.049,630 0.031,631 -0.03,632 0.042,633 0.072,634 -0.007,635 0.105,636 0.029,637 0.079,638 0.077,639 -0.059,640 -0.029,641 -0.03,642 -0.062,643 -0.004,644 -0.021,645 -0.107,646 0.061,647 -0.101,648 0.041,649 -0.109,650 -0.028,651 2.331,652 4.553,653 0.778,654 45.815,655 1.013,656 1.127,657 2.999,658 8.996,659 0.679,660 3.714,661 4.06,662 4.331,663 4.595,664 4.779,665 4.92,666 5.024,667 5.069,668 5.153,669 5.204,670 8.759,671 0.648,672 531.48,673 3.714,674 5.273,675 6.129,676 7.018,677 7.892,678 8.79,679 9.672,680 10.574,681 11.462,682 12.368,683 6.3,689 1,690 1,691 1,693 1,699 10,700 1,704 5,705 1,706 17,719 1,722 1,723 2,724 64,726 18,727 2,728 40,730 68,731 26,733 15,734 5,735 7,739 5,740 5,741 2,745 1,748 2,751 2,753 16,754 10,756 1,761 1,765 1,772 28,773 7,775 10,776 2,778 1,779 4,784 1,785 4,801 2,802 3,817 1,831 2,832 5,836 1,837 2,840 36,846 7,848 3,850 1,851 2,852 1,861 2,862 6.3,865 1,866 2,867 1,869 18.083,870 11.669,871 7.792,872 3.771,874 2.22,875 1.271,876 0.973,877 7.86,878 10.425,879 3.922,880 4.469,881 4.948,882 5.429,883 5.798,884 5.986,885 6.222,886 6.458,887 6.716,888 6.926,889 0.9,890 56,891 13.356,893 5.753,894 7.717,895 25.568,897 21.262,899 2.217,900 79.806,904 329.591,905 144.477,906 24.933,907 78.297,908 58.145,911 144.477,912 466.033,913 24.933,914 8.825,915 22.838,916 75.381,917 100.796,918 43.258,919 11.771,920 294.278,921 78.297,922 329.591,923 169.411,924 58.145,925 78.297,927 329.591,928 36.145,929 22,931 51.228,932 101.397,933 95.083,935 329.591,936 83.078,937 222.775,940 329.591,941 42.605,942 110.02,944 153.227,945 329.591,946 83.078,947 222.775,949 0.588,950 0.341,951 0.18,952 0.093,953 28,954 12,955 0.103,956 7,958 1,959 4.714,960 344.904,962 28,963 178.117,968 25.517,969 11.089,970 5.905,972 81.179,973 18.563,974 4.125,978 3.593,979 1.892,981 635.443,982 49.5,987 11.553,991 0.129,994 64.851,995 72.116,996 0.284,997 0.611,998 0.793,999 0.878,1000 0.899,1001 0.899,1002 5.189,1003 1.878,1004 6.138,1005 6.365,1006 4.745,1007 5.156,1008 2.828,1009 6.987,1010 4.612,1011 6.379,1012 1.629,1013 7.724,1014 5.351,1015 4.443,1016 4.913,1017 2.164,1018 8.207,1019 4.254,1020 7.686,1021 1.307,1022 9.425,1023 4.325,1024 6.409,1025 7.232,1026 3.646,1027 11.293,1028 6.185,1029 9.026,1030 1.171,1031 11.201,1032 3.389,1033 6.957,1034 7.787,1035 3.695,1036 13.471,1037 6.715,1038 10.401,1039 1.119,1040 13.034,1041 2.761,1042 8.413,1043 9.59,1044 4.749,1045 16.206,1046 8.144,1047 11.799,1048 1,1049 14.911,1050 2.598,1051 9.345,1052 10.513,1053 5.104,1054 18.726,1055 9.076,1056 13.216,1057 1,1058 16.822,1059 2.275,1060 10.634,1061 12.102,1062 5.96,1063 21.399,1064 10.349,1065 3.565,1066 0.818,1067 18.761,1068 2.275,1069 11.743,1070 13.218,1071 6.458,1072 24.023,1073 11.459,1074 2.913,1075 14.392,1076 20.724,1077 1.974,1078 12.988,1079 14.705,1080 7.215,1081 26.688,1082 12.694,1083 2.677,1084 9.107,1085 22.704,1086 4.082,1087 14.178,1088 15.931,1089 7.786,1090 29.342,1091 13.882,1092 2.643,1093 8.075,1094 24.698,1095 3.693,1096 15.42,1097 17.367,1098 8.493,1099 32.008,1100 15.114,1101 2.495,1102 7.988,1103 26.704,1104 3.507,1105 16.649,1106 18.658,1107 9.101,1108 34.67,1109 16.335,1110 2.399,1111 7.125,1112 28.719,1113 3.206,1114 17.898,1115 20.069,1116 9.781,1117 37.336,1118 17.573,1119 2.195,1120 6.859,1121 30.74,1122 3.059,1123 19.145,1124 21.4,1125 10.409,1126 40.002,1127 18.809,1128 20571,1129 35552,1130 26.929,1131 43.455,1132 60.66,1133 61.391,1134 62.202,1135 60.238,1136 59.975,1137 73.401,1138 13.129,1139 175.288,1140 55.701,1141 5.673,1142 6.131,1143 7.333,1144 5.635,1145 5.565,1146 7.082,1147 3.348,1148 22.353,1149 5.495,1150 17.066,1151 1.517,1152 1.535,1153 1.555,1154 1.506,1155 1.499,1156 1.835,1157 0.328,1158 4.382,1159 1.393,1160 4.032,1161 4.065,1162 4.116,1163 3.921,1164 7.428,1165 3.924,1166 3.948,1167 3.992,1168 3.906,1169 3.846,1170 5.057,1171 3.849,1172 3.852,1173 3.893,1174 3.857,1175 3.681,1176 4.949,1177 3.706,1178 3.769,1179 3.814,1180 3.687,1181 3.579,1182 4.865,1183 3.595,1184 3.663,1185 3.689,1186 3.641,1187 3.468,1188 4.758,1189 3.488,1190 3.41,1191 3.464,1192 3.547,1193 3.189,1194 4.612,1195 3.202,1196 3.22,1197 3.264,1198 3.296,1199 3.069,1200 4.378,1201 3.064,1202 3.111,1203 3.206,1204 3.154,1205 2.941,1206 4.168,1207 2.91,1208 0.117,1209 0.103,1210 0.193,1211 0.114,1212 0.089,1213 4.673,1214 0.102,1215 4.131,1216 0.049,1217 7.723,1218 0.36,1219 4.546,1220 0.087,1221 3.565,1222 4.082,1223 1.94,1224 14.392,1225 3.495,1226 1.913,1227 1.891,1228 2.038,1229 2.063,1230 1.297,1231 2.058,1232 1.902,1233 1.88,1234 1.958,1235 1.989,1236 1.183,1237 1.988,1238 1.713,1239 1.656,1240 1.897,1241 1.909,1242 1.11,1243 1.906,1244 1.581,1245 1.525,1246 1.755,1247 1.792,1248 1.013,1249 1.783,1250 1.523,1251 1.479,1252 1.73,1253 1.741,1254 0.913,1255 1.745,1256 1.358,1257 1.296,1258 1.657,1259 1.604,1260 0.825,1261 1.62,1262 1.304,1263 1.243,1264 1.513,1265 1.526,1266 0.707,1267 1.517,1268 1.153,1269 1.067,1270 1.481,1271 1.376,1272 0.494,1273 1.429,1274 4.394,1276 5.733,1277 3.045,1278 7.258,1279 5.283,1280 8.868,1281 7.286,1282 10.527,1284 1.618,1285 12.656,1290 4.185,1292 18.713,1294 -0.292,1295 4.152,1296 -1.081,1300 41.448,1301 109.183,1302 234.461,1303 304.374,1304 337.245,1305 345.245,1306 345.245,1307 66.349,1308 8.206,1309 69.06,1310 69.06,1311 28,1312 12.89,1313 4.248,1314 3.392,1315 54.772,1316 190,1317 202,1318 0.138,1319 256.686,1320 449.68,1321 618.073,1322 46265,1323 3.1,1324 25.123,1325 0.698,1326 0.597,1327 26.123,1328 21.49,1329 17.415,1330 0.435,1331 0.316,1332 11.728,1333 16.006,1334 11.426,1335 9.31,1336 17.993,1337 12.637,1338 16.105,1339 0.283,1340 0.172,1341 16.884,1342 9.805,1343 13.434,1344 0.179,1345 0.094,1346 14.015,1347 7.061,1348 11.258,1349 0.115,1350 0.053,1351 12.047,1352 5.15,1353 8.395,1354 0.071,1355 0.028,1356 8.783,1357 3.289,1358 0.223,1359 116.207,1360 0.193,1361 33.468,1362 0.361,1363 194,1364 599.929,1365 248.45,1366 620.007,1367 825.57,1368 582,1369 229,1370 557.198,1371 275.492,1372 573.329,1373 846.99,1374 540,1375 5.665} {0 CHEMBL296006,1 1.928,2 7.737,3 2.929,4 8.577,5 75.247,6 10.456,7 0.714,8 3.486,9 3.555,10 3.387,11 3.169,12 4.741,13 3.135,14 3.949,15 4.052,16 3.816,17 3.589,18 5.298,19 3.523,20 4.097,21 4.21,22 3.926,23 3.672,24 5.315,25 3.546,26 4.143,27 4.298,28 3.703,29 3.544,30 5.356,31 3.42,32 3.885,33 4.005,34 3.692,35 3.392,36 5.164,37 3.29,38 3.845,39 3.978,40 3.661,41 3.172,42 5.331,43 3.123,44 3.454,45 3.621,46 2.714,47 2.823,48 4.574,49 2.731,50 3.45,51 3.658,52 2.488,53 2.546,54 4.69,55 2.479,56 0.099,57 0.381,58 2.408,59 2.271,60 9.913,61 2.152,62 0.27,63 0.644,64 5.425,65 3.796,66 31.081,67 3.545,68 0.223,69 0.698,70 14.653,71 5.929,72 17.265,73 5.568,74 0.394,75 0.69,76 18.195,77 6.32,78 43.63,79 6.092,80 0.237,81 0.54,82 12.173,83 4.821,84 28.05,85 4.576,86 0.401,87 0.492,88 15.963,89 4.502,90 42.052,91 4.011,92 0.136,93 0.355,94 7.817,95 2.799,96 13.101,97 3.077,98 0.273,99 0.363,100 5.928,101 2.551,102 26.23,103 2.618,104 11,105 30,106 0.366,107 0.762,108 0.867,109 0.899,110 0.899,111 0.899,112 3.011,113 0.963,114 -3.79,115 -3.75,116 -3.56,118 46.4,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 1,175 1,177 1,180 7,181 2,186 3,191 2,194 6,195 2,198 4,203 2,206 3,210 3,218 1,219 2,222 6,227 2,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 10.915,278 7.406,279 13.162,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 14.222,287 3.525,288 11.168,289 2.88,290 0.795,291 0.241,292 0.071,293 0.071,294 0.071,295 3.685,297 1,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 20.347,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 41.333,326 147,327 4.638,328 3.589,329 6.704,330 4.124,331 3.198,332 4.594,333 1.437,334 10.835,335 2.964,336 4.05,337 3.408,338 5.922,339 3.668,340 2.696,341 3.55,342 0.522,343 8.225,344 2.58,345 3.904,346 2.708,347 5.583,348 3.438,349 2.51,350 3.427,352 7.379,353 2.321,354 3.457,355 2.362,356 5.231,357 2.964,358 2.035,359 2.817,361 6.218,362 1.851,363 3.125,364 1.977,365 4.78,366 2.577,367 1.684,368 2.387,370 4.99,371 1.479,372 2.766,373 1.784,374 3.803,375 2.232,376 1.249,377 1.785,379 2.928,380 1.204,381 2.573,382 1.253,383 3.591,384 2.06,385 1.134,386 1.598,388 2.58,389 1.037,390 2.175,391 1.102,392 3.368,393 1.619,394 0.761,395 1.04,397 1.912,398 0.592,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.283,409 0.482,410 2.773,411 0.854,412 -0.019,413 -0.023,415 -0.049,416 -0.015,417 0.796,418 0.225,419 2.379,420 0.317,421 -0.564,422 -0.713,424 -1.469,425 -0.436,426 0.649,427 -0.236,428 2.241,429 0.139,430 -0.819,431 -1.14,433 -2,434 -0.744,435 0.446,436 -0.698,437 2.087,438 -0.008,439 -1,440 -1.303,442 -2.496,443 -0.902,444 0.251,445 -0.904,446 1.666,447 -0.221,448 -1.065,449 -1.487,451 -2.869,452 -0.984,453 -0.118,454 -1.171,455 1.338,456 -0.608,457 -1.471,458 -1.828,460 -3.618,461 -1.284,462 9.514,463 0.501,464 0.524,465 0.028,466 26,467 1.368,468 13.5,469 0.711,470 12.5,471 0.658,472 13.372,473 0.704,474 19.286,475 0.689,476 15.869,477 0.835,478 5.114,479 0.269,480 4.034,481 0.212,482 0.145,484 0.357,487 0.772,488 1.098,489 0.581,490 0.722,491 0.698,492 0.704,493 0.626,494 0.715,495 0.712,496 0.633,497 0.413,498 0.687,499 0.757,500 1.185,501 1.057,502 1.232,503 0.697,504 1.161,505 1.162,506 0.926,507 1.335,508 1.103,509 1.127,510 1.097,511 1.105,512 1.15,513 1.273,514 1.158,515 1.054,516 0.983,517 0.919,518 1.114,519 1.38,520 1.391,521 0.859,522 1.104,523 0.785,524 1.229,525 1.145,526 1.253,527 0.671,528 1.366,529 1.11,530 0.854,531 0.597,532 0.666,533 1.513,534 1.06,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 12215,547 2.081,548 32.1,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.969,561 -0.198,563 1,565 1,567 53.971,568 1.928,569 4.012,570 4.566,571 4.736,572 4.736,573 4.736,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,583 1,584 1,585 134.606,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.67,600 1,601 0.868,602 81.64,603 -0.113,604 -0.101,605 0.004,606 0.059,607 -0.099,608 0.038,609 0.066,610 0.362,611 0.016,612 0.236,613 0.184,614 0.116,615 -0.039,616 -0.23,617 0.001,618 -0.155,619 -0.008,620 -0.195,621 -0.167,622 0.003,623 -0.163,624 -0.042,625 -0.155,626 -0.051,627 -0.13,628 -0.219,629 -0.038,630 -0.052,631 -0.107,632 0.019,633 0.28,634 -0.166,635 -0.003,636 -0.368,637 0.216,638 -0.113,639 -0.088,640 -0.316,641 -0.313,642 -0.41,643 -0.078,644 -0.377,645 0.014,646 0.128,647 -0.01,648 0.129,649 -0.26,650 -0.052,651 2.611,652 3.967,653 0.737,654 13.645,655 1.028,656 1.105,657 2.558,658 6.544,659 0.767,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.736,672 292.76,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 7.1,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,723 1,724 28,726 16,727 1,728 21,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,741 1,753 12,754 1,756 1,761 1,765 1,769 1,772 9,773 3,774 1,775 6,776 2,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,837 1,840 19,845 1,846 1,856 1,861 1,862 7.1,864 1,865 1,869 9.833,870 5.076,871 4.111,872 1.508,874 2.886,875 1.437,876 0.993,877 3.288,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.977,893 3.026,894 7.997,895 13.009,897 10.752,899 2.497,900 47.444,901 0.001,904 94.169,905 100.799,906 18.685,907 39.149,908 67.828,910 31.278,911 69.521,912 201.146,913 18.685,915 2.106,916 37.476,917 117.684,918 20.206,919 13.875,920 90.133,921 39.149,922 94.169,923 88.206,924 67.828,925 70.426,927 94.169,928 67.828,931 21.671,932 49.749,933 55.934,934 31.278,935 94.169,936 86.513,937 139.947,940 94.169,941 45.657,942 57.041,944 123.762,945 94.169,946 86.513,947 139.947,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.1,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,964 1,968 12.634,969 4.945,970 2.378,971 1.784,972 84.614,973 10.315,974 3.986,977 1.569,978 1.871,979 1.925,980 42.683,981 320.629,982 29.5,987 10.967,991 -0.944,994 28.793,995 30.94,996 0.401,997 0.835,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 3.963,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.524,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.448,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 5.821,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.228,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 7.965,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.168,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.076,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.196,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.186,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 13.274,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 14.306,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 15.382,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 16.436,1128 3153,1129 6243,1130 13.929,1131 21.472,1132 32.326,1133 32.945,1134 32.535,1135 31.928,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 29.212,1141 5.422,1142 5.589,1143 6.318,1144 5.26,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 4.964,1150 8.916,1151 1.539,1152 1.569,1153 1.549,1154 1.52,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.391,1160 4.105,1161 4.112,1162 4.389,1163 4.127,1164 7.475,1165 4.076,1166 3.882,1167 3.941,1168 3.83,1169 3.684,1170 6.351,1171 3.712,1172 3.509,1173 3.502,1174 3.628,1175 3.432,1176 4.999,1177 3.411,1178 3.14,1179 3.157,1180 3.48,1181 2.946,1182 4.91,1183 2.955,1184 2.91,1185 2.972,1186 3.054,1187 2.79,1188 4.48,1189 2.771,1190 2.696,1191 2.729,1192 2.715,1193 2.5,1194 3.914,1195 2.487,1196 2.47,1197 2.569,1198 2.643,1199 2.282,1200 3.608,1201 2.264,1202 2.256,1203 2.298,1204 2.262,1205 2.196,1206 3.554,1207 2.124,1208 0.221,1209 0.171,1210 0.319,1211 0.196,1212 0.152,1213 4.638,1214 0.219,1215 3.589,1216 0.068,1217 6.704,1218 0.516,1219 4.124,1220 0.141,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 2.964,1226 1.932,1227 1.923,1228 1.984,1229 1.986,1230 1.158,1231 1.993,1232 1.665,1233 1.63,1234 1.767,1235 1.842,1236 1.043,1237 1.838,1238 1.329,1239 1.286,1240 1.484,1241 1.526,1242 0.533,1243 1.519,1244 1.224,1245 1.182,1246 1.287,1247 1.421,1248 0.356,1249 1.367,1250 1.16,1251 1.171,1252 1.184,1253 1.332,1254 0.276,1255 1.347,1256 0.824,1257 0.772,1258 1.093,1259 0.997,1260 0.175,1261 1.045,1262 0.527,1263 0.506,1264 0.742,1265 0.782,1267 0.808,1268 0.388,1269 0.311,1270 0.573,1271 0.578,1273 0.667,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1285 6.334,1289 8.997,1290 0.639,1300 20.594,1301 53.971,1302 112.341,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 28.015,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 133.844,1320 218.5,1321 318.339,1322 5367,1323 3.6,1324 13.405,1325 0.706,1326 0.594,1327 14.259,1328 11.28,1329 9.148,1330 0.436,1331 0.321,1332 5.576,1333 8.118,1334 5.36,1335 4.401,1336 9.845,1337 6.743,1338 8.482,1339 0.283,1340 0.187,1341 9.458,1342 5.605,1343 7.167,1344 0.179,1345 0.113,1346 8.501,1347 4.526,1348 5.782,1349 0.111,1350 0.065,1351 7.106,1352 3.373,1353 4.286,1354 0.07,1355 0.038,1356 5.551,1357 2.334,1358 0.399,1359 64.412,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 338.239,1365 151.095,1366 378.142,1367 497.87,1368 350,1369 121,1370 319.202,1371 169.097,1372 350.602,1373 513.62,1374 328,1375 7.658} {0 CHEMBL296151,1 1.483,2 19.727,3 7.837,4 61.411,5 207.872,6 7.233,7 0.467,8 4.711,9 4.824,10 4.24,11 4.257,12 5.816,13 4.23,14 5.266,15 5.43,16 4.6,17 4.662,18 6.39,19 4.605,20 5.603,21 5.813,22 4.734,23 4.858,24 6.606,25 4.779,26 5.71,27 5.92,28 4.787,29 4.93,30 6.72,31 4.851,32 5.797,33 6.002,34 4.861,35 4.997,36 6.924,37 4.913,38 5.895,39 6.125,40 4.877,41 5.001,42 7.045,43 4.912,44 5.86,45 6.087,46 4.775,47 4.949,48 7.005,49 4.852,50 5.782,51 6.018,52 4.662,53 4.89,54 6.826,55 4.781,56 0.058,57 1.418,58 21.537,59 9.936,60 20.912,61 12.77,62 0.529,63 2.361,64 40.529,65 16.486,66 94.707,67 22.325,68 0.856,69 3.099,70 61.077,71 22.506,72 115.753,73 30.848,74 0.863,75 3.392,76 68.477,77 24.617,78 126.058,79 33.297,80 0.96,81 3.609,82 74.639,83 27.775,84 192.398,85 37.344,86 1.42,87 3.845,88 85.689,89 29.485,90 241.117,91 40.311,92 1.587,93 3.645,94 83.498,95 28.318,96 258.976,97 38.18,98 0.897,99 3.387,100 76.541,101 27.364,102 168.198,103 36.96,104 55,105 82,106 0.213,107 0.527,108 0.721,109 0.862,110 0.906,111 0.91,112 4.027,113 0.952,114 -5.02,115 -4.92,116 -4.61,118 42.7,119 1,120 9,124 2,126 3,140 15,141 5,142 1,143 2,150 2,154 4,163 2,167 2,168 25,171 2,172 13,173 1,175 2,177 2,178 1,180 26,181 1,185 1,186 14,189 4,190 1,191 2,194 21,195 1,197 2,198 14,199 1,201 1,203 3,206 22,207 4,209 2,210 15,211 2,213 1,215 8,216 1,218 22,219 5,221 3,222 18,223 2,225 4,226 1,227 10,229 21,230 4,233 3,234 16,237 2,239 6,242 23,243 4,244 1,247 13,248 4,252 5,253 2,255 24,256 5,258 5,259 15,262 4,263 1,264 6,267 25,268 3,270 8617,271 37.346,272 37.346,273 37.346,274 37.346,275 37.346,276 33.324,277 31.944,278 22.639,279 37.731,280 29.677,281 29.677,282 29.677,283 29.677,284 29.677,285 23.636,286 32.634,287 10.814,288 30.309,289 5.203,290 3.008,291 1.656,292 0.674,293 0.364,294 0.337,295 4.734,301 2353,302 5.523,305 144.905,306 707.393,307 190.087,309 271.3,311 308.333,313 2.77,314 73.53,317 0.5,318 0.33,319 0.5,320 0.8,321 0.5,322 0.33,324 0.42,325 119,326 1085,327 4.783,328 3.923,329 7.113,330 4.339,331 3.371,332 4.741,333 2.454,334 12.34,335 3.269,336 4.461,337 3.741,338 6.857,339 4.21,340 3.244,341 3.959,342 2.378,343 11.406,344 3.129,345 3.994,346 3.718,347 6.211,348 3.778,349 2.8,350 3.596,351 2.375,352 9.1,353 2.731,354 3.988,355 3.578,356 6.073,357 3.618,358 2.651,359 3.447,360 1.983,361 8.616,362 2.574,363 3.899,364 3.432,365 5.957,366 3.565,367 2.576,368 3.192,369 0.828,370 8.38,371 2.548,372 3.816,373 3.19,374 5.692,375 3.493,376 2.503,377 2.999,378 0.656,379 7.532,380 2.469,381 3.691,382 2.729,383 5.602,384 3.402,385 2.413,386 2.876,387 0.434,388 6.914,389 2.358,390 3.535,391 2.671,392 5.33,393 3.244,394 2.248,395 2.843,397 6.91,398 2.216,399 3.483,400 2.576,401 5.057,402 3.105,403 2.145,404 2.793,406 6.048,407 2.055,408 3.39,409 2.304,410 4.932,411 3.014,412 2.018,413 2.686,415 5.25,416 1.984,417 3.29,418 2.273,419 4.702,420 2.91,421 1.929,422 2.392,424 5.091,425 1.891,426 2.962,427 1.988,428 4.343,429 2.757,430 1.764,431 2.125,433 3.863,434 1.746,435 2.937,436 1.822,437 4.065,438 2.555,439 1.569,440 2.106,442 3.624,443 1.543,444 2.916,445 1.812,446 3.917,447 2.534,448 1.536,449 2.102,451 3.266,452 1.527,453 2.822,454 1.757,455 3.811,456 2.43,457 1.451,458 1.837,460 3.141,461 1.419,462 25.933,463 0.472,464 1.224,465 0.022,466 67,467 1.218,468 32.5,469 0.591,470 34.5,471 0.627,472 64.168,473 1.167,474 59.867,475 0.581,476 65.932,477 1.199,478 13.029,479 0.237,480 13.677,481 0.249,482 0.096,484 0.32,487 0.749,488 1.264,489 0.821,490 1.092,491 0.638,492 0.987,493 0.58,494 1.232,495 0.904,496 1.114,497 0.435,498 1.064,499 0.887,500 1.006,501 0.944,502 0.95,503 0.821,504 0.954,505 1.104,506 1.006,507 1.054,508 1.002,509 0.993,510 1.009,511 1.006,512 1.153,513 1.024,514 1.125,515 0.963,516 1.086,517 1.079,518 0.989,519 0.986,520 0.99,521 1.086,522 0.976,523 1.238,524 0.947,525 1.095,526 0.973,527 1.287,528 1.003,529 1.192,530 0.985,531 1.056,532 1.026,533 1.196,534 1.022,535 8.5,536 0.357,537 5.333,538 4.611,539 3.387,540 2.285,541 1.592,542 1.092,543 0.815,544 0.46,545 68998,546 176959,547 2.076,548 46.6,549 13,550 22,552 2,553 3,554 2,555 4,556 2,558 1.873,559 1.953,560 4.121,561 0.587,567 152.765,568 1.483,569 3.678,570 5.03,571 6.012,572 6.322,573 6.349,574 3.579,575 5.477,576 5.756,577 4.437,578 6588.68,579 10.262,580 152860,585 688.71,586 1.368,587 5.717,588 0.142,589 0.005,590 0.065,591 0.05,592 0.036,593 0.023,594 0.016,595 0.012,596 0.01,597 0.006,598 0.365,599 0.17,600 0.5,601 0.763,602 345.229,603 -0.047,604 -0.084,605 0.034,606 0.004,607 -0.039,608 0.026,609 0.174,610 -0.103,611 0.001,612 -0.075,613 0.157,614 -0.067,615 0.026,616 0.045,617 0.022,618 0.045,619 -0.032,620 0.031,621 -0.087,622 0.039,623 -0.073,624 -0.017,625 -0.087,626 -0.036,627 0.026,628 -0.147,629 -0.044,630 -0.12,631 0.051,632 -0.098,633 0.067,634 -0.01,635 0.033,636 -0.021,637 0.056,638 -0.004,639 0.006,640 0.018,641 -0.064,642 -0.007,643 -0.025,644 -0.037,645 -0.108,646 -0.034,647 -0.046,648 -0.04,649 -0.08,650 -0.032,651 2.887,652 6.914,653 0.582,654 88.321,655 1.001,656 1.122,657 3.792,658 14.378,659 0.66,660 4.111,661 4.419,662 4.7,663 4.997,664 5.257,665 5.366,666 5.501,667 5.602,668 5.652,669 5.635,670 11.688,671 0.628,672 744.96,673 4.111,674 5.652,675 6.503,676 7.383,677 8.261,678 9.154,679 10.045,680 10.945,681 11.844,682 12.75,683 3.9,685 1,690 1,691 1,693 1,698 2,699 17,700 1,704 6,705 1,706 28,724 103,726 32,727 3,728 60,730 108,731 44,733 25,734 5,735 13,739 6,740 8,745 1,748 3,751 12,753 29,754 15,756 4,761 4,765 4,772 48,773 10,774 3,775 11,779 4,784 0.667,785 7,795 1,797 1,801 1,802 4,803 1,805 1,807 1,817 1,818 2,819 1,826 1,830 2,832 4,836 1,840 55,845 2,846 11,847 1,848 1,850 3,851 1,862 6.8,864 2,865 4,867 1,869 28.167,870 18.25,871 12.25,872 6.501,874 4.68,875 1.506,876 0.953,877 13.761,878 13.938,879 4.369,880 4.918,881 5.458,882 6.035,883 6.572,884 6.813,885 7.215,886 7.575,887 7.774,888 7.959,889 0.923,890 92,891 20.683,893 9.049,894 7.855,895 39.09,897 32.565,899 2.355,900 129.5,904 529.7,905 232.775,906 39.82,908 196.946,911 232.775,912 726.646,913 39.82,914 8.825,915 30.147,916 160.154,917 239.99,918 49.066,919 4.901,920 506.157,922 529.7,923 272.594,924 196.946,927 459.073,928 267.573,931 76.976,932 178.832,933 16.786,935 529.7,936 236.766,937 232.775,940 529.7,941 63.711,942 174.087,943 18.011,944 213.732,945 529.7,946 236.766,947 232.775,949 0.571,950 0.33,951 0.189,952 0.112,953 35,954 17,955 0.176,956 19,957 2,958 1.125,959 6.009,960 610.724,961 0.125,962 32,963 309.975,968 39.711,969 19.059,970 10.019,971 2.444,972 234.867,973 32.425,974 4.351,978 5.304,979 2.385,980 103.377,981 999.24,982 78,987 51.49,991 -3.363,994 103.138,995 115.593,996 0.222,997 0.55,998 0.752,999 0.899,1000 0.946,1001 0.95,1002 5.606,1003 2.248,1004 6.475,1005 6.914,1006 5.106,1007 5.608,1008 3.637,1009 7.295,1010 5.061,1011 6.788,1012 2.145,1013 8.035,1014 6.91,1015 4.635,1016 5.338,1017 3.42,1018 8.242,1019 4.557,1020 8.081,1021 2.018,1022 9.704,1023 6.048,1024 6.691,1025 7.741,1026 5.003,1027 11.406,1028 6.591,1029 9.411,1030 1.929,1031 11.441,1032 5.25,1033 7.091,1034 8.36,1035 5.408,1036 13.257,1037 6.951,1038 10.779,1039 1.764,1040 13.223,1041 5.091,1042 8.595,1043 10.242,1044 6.58,1045 15.947,1046 8.432,1047 12.175,1048 1.569,1049 15.038,1050 3.863,1051 9.411,1052 11.314,1053 7.233,1054 18.17,1055 9.205,1056 13.595,1057 1.536,1058 16.877,1059 3.624,1060 10.701,1061 12.985,1062 8.244,1063 20.713,1064 10.47,1065 3.371,1066 1.451,1067 18.734,1068 3.266,1069 11.718,1070 14.296,1071 9.01,1072 23.092,1073 11.445,1074 3.244,1075 12.34,1076 20.605,1077 3.141,1078 12.931,1079 15.881,1080 9.95,1081 25.592,1082 12.629,1083 2.8,1084 11.406,1085 22.488,1086 4.741,1087 14.042,1088 17.315,1089 10.771,1090 28.036,1091 13.701,1092 2.651,1093 9.1,1094 24.38,1095 3.959,1096 15.232,1097 18.869,1098 11.678,1099 30.526,1100 14.859,1101 2.576,1102 8.616,1103 26.281,1104 3.596,1105 16.387,1106 20.363,1107 12.527,1108 32.998,1109 15.978,1110 2.503,1111 8.38,1112 28.189,1113 3.447,1114 17.574,1115 21.909,1116 13.419,1117 35.489,1118 17.132,1119 2.413,1120 7.532,1121 30.102,1122 3.192,1123 18.751,1124 23.432,1125 14.283,1126 37.974,1127 18.274,1128 64480,1129 103606,1130 40.164,1131 67.955,1132 90.064,1133 91.893,1134 91.903,1135 89.071,1136 88.975,1137 113.922,1138 22.216,1139 250.915,1140 87.11,1141 5.768,1142 5.923,1143 6.975,1144 5.413,1145 5.371,1146 7.741,1147 4.223,1148 19.844,1149 5.269,1150 28.51,1151 1.501,1152 1.532,1153 1.532,1154 1.485,1155 1.483,1156 1.899,1157 0.37,1158 4.182,1159 1.452,1160 4.179,1161 4.211,1162 4.143,1163 4.095,1164 7.477,1165 4.103,1166 4.022,1167 4.053,1168 3.967,1169 3.923,1170 7.471,1171 3.927,1172 3.92,1173 3.952,1174 3.843,1175 3.859,1176 7.432,1177 3.851,1178 3.808,1179 3.849,1180 3.746,1181 3.716,1182 7.425,1183 3.718,1184 3.772,1185 3.829,1186 3.645,1187 3.648,1188 6.352,1189 3.633,1190 3.723,1191 3.764,1192 3.632,1193 3.566,1194 6.35,1195 3.577,1196 3.6,1197 3.644,1198 3.508,1199 3.434,1200 4.978,1201 3.434,1202 3.576,1203 3.604,1204 3.479,1205 3.39,1206 4.816,1207 3.402,1208 0.08,1209 0.065,1210 0.119,1211 0.072,1212 0.056,1213 4.783,1214 0.079,1215 3.923,1216 0.041,1217 7.113,1218 0.206,1219 4.339,1220 0.054,1221 3.371,1222 4.741,1223 2.454,1224 12.34,1225 3.269,1226 1.945,1227 1.92,1228 2.067,1229 2.05,1230 1.4,1231 2.052,1232 1.928,1233 1.898,1234 2.061,1235 2.025,1236 1.314,1237 2.039,1238 1.92,1239 1.895,1240 2.029,1241 2.02,1242 1.248,1243 2.021,1244 1.885,1245 1.849,1246 2.019,1247 1.989,1248 1.212,1249 1.997,1250 1.778,1251 1.725,1252 1.966,1253 1.942,1254 1.16,1255 1.955,1256 1.727,1257 1.683,1258 1.889,1259 1.916,1260 1.102,1261 1.916,1262 1.603,1263 1.55,1264 1.831,1265 1.791,1266 1.031,1267 1.802,1268 1.545,1269 1.503,1270 1.75,1271 1.751,1272 0.974,1273 1.744,1274 4.796,1276 6.107,1277 2.398,1278 7.606,1279 5.043,1280 9.198,1281 7.38,1282 10.843,1284 2.161,1289 19.816,1290 5.437,1291 2.984,1292 6.024,1294 -3.094,1295 1.136,1300 64.679,1301 152.765,1302 378.852,1303 518.132,1304 619.284,1305 651.2,1306 653.955,1307 163.597,1308 9.258,1309 151.06,1310 151.06,1311 36,1312 13.27,1313 5.044,1314 4.248,1315 93.529,1316 385,1317 360,1318 0.111,1319 393.858,1320 701.75,1321 952.774,1322 207614,1324 38.735,1325 0.704,1326 0.565,1327 38.735,1328 31.102,1329 26.706,1330 0.445,1331 0.317,1332 18.831,1333 25.848,1334 18.458,1335 15.254,1336 26.706,1337 19.035,1338 23.638,1339 0.288,1340 0.172,1341 23.638,1342 14.127,1343 19.352,1344 0.178,1345 0.095,1346 19.352,1347 10.342,1348 16.452,1349 0.112,1350 0.052,1351 16.452,1352 7.651,1353 13.926,1354 0.073,1355 0.029,1356 13.926,1357 5.478,1358 0.181,1359 166.502,1360 0.158,1361 46.846,1362 0.288,1363 284,1364 826.245,1365 310.539,1366 791.912,1367 1064.16,1368 738,1369 333,1370 763.815,1371 358.249,1372 768.088,1373 1124.46,1374 726,1375 7.699} {0 CHEMBL29639,1 1.635,2 17.882,3 5.907,4 34.895,5 201.452,6 7.938,7 0.491,8 4.607,9 4.72,10 4.261,11 4.198,12 5.682,13 4.157,14 5.166,15 5.338,16 4.661,17 4.611,18 6.188,19 4.55,20 5.429,21 5.624,22 4.81,23 4.799,24 6.423,25 4.717,26 5.52,27 5.713,28 4.919,29 4.888,30 6.556,31 4.798,32 5.567,33 5.745,34 4.888,35 4.956,36 6.61,37 4.856,38 5.689,39 5.894,40 4.962,41 5.038,42 6.651,43 4.909,44 5.729,45 5.959,46 4.805,47 4.986,48 6.689,49 4.834,50 5.682,51 5.955,52 4.623,53 4.836,54 6.514,55 4.68,56 0.085,57 1.35,58 17.662,59 8.469,60 13.868,61 10.8,62 0.386,63 2.258,64 36.997,65 14.455,66 39.192,67 18.8,68 0.54,69 2.834,70 54.387,71 19.371,72 62.075,73 24.624,74 0.641,75 3.121,76 62.191,77 21.285,78 77.151,79 26.953,80 0.622,81 3.243,82 64.418,83 23.689,84 89.016,85 28.864,86 0.737,87 3.549,88 75.634,89 27.113,90 81.512,91 34.698,92 0.883,93 3.598,94 79.952,95 28.212,96 125.81,97 37.552,98 0.769,99 3.354,100 78.888,101 25.832,102 83.867,103 35.826,104 45,105 81,106 0.239,107 0.57,108 0.789,109 0.884,110 0.899,111 0.899,112 3.954,113 0.979,114 -6.83,115 -6.64,116 -6.15,118 42.9,119 3,120 4,124 5,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 16,171 3,172 17,180 19,185 2,186 20,194 13,197 2,198 27,206 20,209 2,210 14,218 26,221 4,222 13,229 32,233 5,234 11,242 19,246 1,247 20,255 13,259 19,267 10,270 6118,271 34.921,272 34.921,273 34.921,274 34.921,275 34.921,276 30.831,277 39.768,278 20.714,279 35.871,280 28.152,281 28.152,282 28.152,283 28.152,284 28.152,285 21.854,286 51.927,287 9.79,288 29.658,289 4.873,290 2.603,291 1.11,292 0.459,293 0.355,294 0.355,295 4.67,297 1,301 2011,302 4.848,305 188.177,306 577.485,307 139.527,309 156.447,310 392.43,313 2.752,314 46.257,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.44,325 108.833,326 912,327 4.777,328 3.682,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.562,337 3.671,338 6.753,339 4.106,340 3.129,341 4.292,342 1.926,343 11.01,344 3.058,345 4.361,346 3.625,347 6.687,348 3.958,349 3.014,350 4.001,351 0.995,352 10.738,353 2.832,354 4.233,355 3.244,356 6.359,357 3.834,358 2.892,359 3.837,360 0.795,361 9.645,362 2.713,363 3.968,364 3.206,365 5.773,366 3.591,367 2.622,368 3.532,369 0.359,370 7.943,371 2.547,372 3.69,373 2.934,374 5.643,375 3.352,376 2.375,377 3.194,378 0.286,379 7.397,380 2.299,381 3.659,382 2.737,383 5.528,384 3.298,385 2.347,386 2.973,388 7.066,389 2.224,390 3.65,391 2.666,392 5.221,393 3.263,394 2.325,395 2.825,397 6.307,398 2.167,399 3.537,400 2.506,401 5.066,402 3.137,403 2.175,404 2.707,406 6.071,407 2.085,408 3.321,409 2.288,410 5.025,411 2.959,412 2.009,413 2.534,415 5.833,416 1.904,417 3.167,418 2.06,419 4.977,420 2.769,421 1.827,422 2.363,424 5.297,425 1.715,426 3.027,427 1.977,428 4.815,429 2.68,430 1.746,431 2.132,433 5.167,434 1.607,435 2.874,436 1.864,437 4.626,438 2.478,439 1.54,440 2.029,442 4.481,443 1.438,444 2.858,445 1.824,446 4.184,447 2.449,448 1.477,449 1.996,451 3.378,452 1.419,453 2.833,454 1.639,455 3.908,456 2.35,457 1.414,458 1.934,460 3.236,461 1.29,462 24.848,463 0.487,464 1.199,465 0.024,466 65.25,467 1.279,468 32,469 0.627,470 33.25,471 0.652,472 59.881,473 1.174,474 53.752,475 0.591,476 58.506,477 1.147,478 12.39,479 0.243,480 12.427,481 0.244,482 0.116,484 0.35,487 0.603,488 1.257,489 0.671,490 0.987,491 0.526,492 0.935,493 0.816,494 1.075,495 0.739,496 0.875,497 0.574,498 0.858,499 1.121,500 1.033,501 0.941,502 0.909,503 0.981,504 0.879,505 1.104,506 1.058,507 1.027,508 1.002,509 1.112,510 0.934,511 1.177,512 1.129,513 1.203,514 1.156,515 1.362,516 1.074,517 0.865,518 1.05,519 1.058,520 1.083,521 0.933,522 1.103,523 0.713,524 1.117,525 1.144,526 1.164,527 0.706,528 1.174,529 0.751,530 0.916,531 0.949,532 0.939,533 0.589,534 0.97,535 8.5,536 0.373,537 5.333,538 4.667,539 3.084,540 2.178,541 1.566,542 0.932,543 0.684,544 0.422,545 52361,546 140195,547 2.127,548 44,549 2,550 21,552 2,554 5,555 10,558 1.858,559 2,560 4.006,561 -0.761,567 148.795,568 1.635,569 3.905,570 5.398,571 6.049,572 6.153,573 6.153,574 3.479,575 5.555,576 5.641,577 4.263,578 5435.43,579 10.049,580 112230,585 592.209,586 1.379,587 5.608,588 0.149,589 0.005,590 0.066,591 0.051,592 0.032,593 0.022,594 0.016,595 0.011,596 0.01,597 0.006,598 0.369,599 0.17,600 0.5,601 1.364,602 309.117,603 0.099,604 -0.111,605 0.063,606 -0.022,607 0.021,608 -0.002,609 0.065,610 0.024,611 0.105,612 0.09,613 0.068,614 0.086,615 -0.102,616 0.033,617 0.036,618 0.095,619 -0.067,620 0.079,621 -0.076,622 0.02,623 0.024,624 0.043,625 -0.032,626 0.031,627 -0.152,628 -0.057,629 -0.171,630 -0.079,631 -0.139,632 -0.103,633 -0.014,634 -0.026,635 -0.043,636 -0.051,637 -0.073,638 -0.109,639 0.091,640 -0.136,641 -0.11,642 -0.155,643 0.074,644 -0.164,645 0.02,646 0.04,647 0.036,648 0.018,649 0.025,650 0.045,651 1.899,652 6.634,653 0.686,654 74.076,655 1.001,656 1.121,657 5.6,658 31.357,659 0.691,660 4.06,661 4.407,662 4.736,663 5.081,664 5.352,665 5.565,666 5.808,667 6.043,668 6.213,669 6.361,670 10.196,671 0.651,672 722.38,673 4.06,674 5.624,675 6.5,676 7.404,677 8.304,678 9.221,679 10.134,680 11.06,681 11.981,682 12.913,683 7.7,686 1,691 1,692 1,693 3,697 1,699 12,700 3,703 1,704 11,705 1,706 28,708 1,723 1,724 91,726 32,727 2,728 57,730 97,731 39,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 5,753 26,754 13,756 4,759 1,761 2,764 1,765 3,772 40,773 8,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,819 1,828 1,832 4,834 1,836 3,837 1,840 51,846 9,848 1,850 1,851 1,856 1,859 1,861 1,862 3.3,865 2,867 1,869 25.5,870 17.543,871 11.194,872 5.92,874 5.429,875 1.538,876 1.001,877 10.859,878 15.514,879 4.331,880 4.949,881 5.559,882 6.194,883 6.701,884 7.088,885 7.563,886 8.012,887 8.373,888 8.729,889 0.917,890 91,891 18.935,893 8.136,894 7.649,895 36.618,897 30.715,899 2.149,900 109.611,904 470.844,905 236.027,906 75.092,907 39.149,908 61.518,910 31.278,911 204.749,912 571.511,913 75.092,914 26.476,915 26.325,916 94.762,917 141.533,918 74.447,919 1.358,920 478.58,921 39.149,922 470.844,923 279.841,924 61.518,925 70.426,927 356.305,928 179.229,931 95.118,932 131.44,933 89.26,934 31.278,935 470.844,936 136.611,937 275.175,940 470.844,941 96.694,942 147.528,944 167.564,945 470.844,946 136.611,947 275.175,949 0.579,950 0.345,951 0.199,952 0.108,953 39,954 18,955 0.124,956 12,957 3,958 1.171,959 5.618,960 592.632,961 0.171,962 35,963 287.294,964 1,968 35.343,969 15.67,970 7.472,972 131.54,973 23.337,974 13.264,977 1.786,978 10.824,979 2.172,981 882.63,982 75,985 1.035,987 25.435,990 5.219,991 1.252,994 91.116,995 102.039,996 0.251,997 0.6,998 0.829,999 0.929,1000 0.946,1001 0.946,1002 5.587,1003 2.325,1004 6.491,1005 7.066,1006 5.094,1007 5.638,1008 3.009,1009 7.352,1010 4.994,1011 6.802,1012 2.175,1013 8.074,1014 6.307,1015 4.691,1016 5.46,1017 2.648,1018 8.354,1019 4.529,1020 8.123,1021 2.009,1022 9.763,1023 6.071,1024 6.723,1025 7.855,1026 4.195,1027 11.531,1028 6.531,1029 9.482,1030 1.827,1031 11.516,1032 5.833,1033 7.179,1034 8.539,1035 4.537,1036 13.42,1037 6.921,1038 10.878,1039 1.746,1040 13.313,1041 5.297,1042 8.666,1043 10.39,1044 5.708,1045 16.121,1046 8.381,1047 12.301,1048 1.54,1049 15.14,1050 5.167,1051 9.52,1052 11.477,1053 6.331,1054 18.37,1055 9.169,1056 13.744,1057 1.477,1058 16.989,1059 4.481,1060 10.803,1061 13.107,1062 7.349,1063 20.924,1064 10.419,1065 3.434,1066 1.414,1067 18.857,1068 3.378,1069 11.841,1070 14.391,1071 8.103,1072 23.321,1073 11.396,1074 3.129,1075 12.682,1076 20.738,1077 3.236,1078 13.053,1079 15.926,1080 9.052,1081 25.832,1082 12.567,1083 3.014,1084 11.01,1085 22.631,1086 4.517,1087 14.176,1088 17.307,1089 9.872,1090 28.292,1091 13.632,1092 2.892,1093 10.738,1094 24.533,1095 4.292,1096 15.368,1097 18.804,1098 10.79,1099 30.797,1100 14.777,1101 2.622,1102 9.645,1103 26.442,1104 4.001,1105 16.531,1106 20.233,1107 11.644,1108 33.286,1109 15.884,1110 2.375,1111 7.943,1112 28.358,1113 3.837,1114 17.723,1115 21.717,1116 12.547,1117 35.795,1118 17.025,1119 2.347,1120 7.397,1121 30.279,1122 3.532,1123 18.906,1124 23.171,1125 13.419,1126 38.3,1127 18.153,1128 48778,1129 79991,1130 38.49,1131 62.853,1132 86.968,1133 87.877,1134 89.37,1135 85.878,1136 85.624,1137 111.594,1138 13.606,1139 251.426,1140 81.212,1141 5.724,1142 5.682,1143 6.99,1144 5.542,1145 5.434,1146 7.517,1147 4.174,1148 20.396,1149 5.245,1150 25.598,1151 1.526,1152 1.542,1153 1.568,1154 1.507,1155 1.502,1156 1.958,1157 0.239,1158 4.411,1159 1.425,1160 4.143,1161 4.176,1162 4.33,1163 4.089,1164 7.467,1165 4.062,1166 4.044,1167 4.078,1168 4.022,1169 3.945,1170 7.432,1171 3.948,1172 3.875,1173 3.906,1174 3.994,1175 3.828,1176 5.1,1177 3.81,1178 3.851,1179 3.9,1180 3.821,1181 3.73,1182 4.943,1183 3.734,1184 3.773,1185 3.812,1186 3.749,1187 3.632,1188 4.905,1189 3.65,1190 3.753,1191 3.8,1192 3.651,1193 3.592,1194 4.717,1195 3.593,1196 3.617,1197 3.656,1198 3.547,1199 3.366,1200 4.614,1201 3.395,1202 3.45,1203 3.523,1204 3.412,1205 3.27,1206 4.467,1207 3.276,1208 0.084,1209 0.065,1210 0.126,1211 0.077,1212 0.06,1213 4.777,1214 0.079,1215 3.682,1216 0.043,1217 7.189,1218 0.222,1219 4.376,1220 0.057,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.997,1227 1.97,1228 2.092,1229 2.137,1230 1.333,1231 2.118,1232 1.922,1233 1.902,1234 2.007,1235 2.011,1236 1.309,1237 2.015,1238 1.831,1239 1.792,1240 1.976,1241 1.965,1242 1.175,1243 1.974,1244 1.751,1245 1.716,1246 1.929,1247 1.904,1248 1.102,1249 1.913,1250 1.725,1251 1.674,1252 1.888,1253 1.864,1254 1.04,1255 1.876,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.983,1261 1.846,1262 1.546,1263 1.499,1264 1.803,1265 1.784,1266 0.939,1267 1.777,1268 1.511,1269 1.46,1270 1.722,1271 1.726,1272 0.864,1273 1.732,1274 4.745,1276 6.084,1277 3.045,1278 7.615,1279 5.533,1280 9.239,1281 7.751,1282 10.916,1284 5.849,1285 6.787,1290 5.331,1292 5.039,1294 -0.178,1295 2.459,1300 59.264,1301 148.795,1302 355.365,1303 491.216,1304 550.435,1305 559.945,1306 559.945,1307 99.717,1308 10.085,1309 114.25,1310 142.49,1311 41,1312 13.416,1313 5.044,1314 4.248,1315 75.235,1316 318,1317 392,1318 0.115,1319 365.292,1320 637.09,1321 883.073,1322 444154,1323 1.1,1324 35.484,1325 0.696,1326 0.6,1327 36.338,1328 30.583,1329 24.817,1330 0.435,1331 0.326,1332 17.314,1333 23.251,1334 16.747,1335 13.819,1336 25.514,1337 18.606,1338 22.338,1339 0.276,1340 0.177,1341 23.324,1342 14.365,1343 19.185,1344 0.17,1345 0.096,1346 20.338,1347 10.852,1348 17.107,1349 0.107,1350 0.054,1351 18.517,1352 8.627,1353 13.958,1354 0.066,1355 0.03,1356 15.284,1357 6.333,1358 0.184,1359 161.811,1360 0.161,1361 43.506,1362 0.306,1363 276,1364 769.786,1365 339.907,1366 796.836,1367 1095.66,1368 748,1369 332,1370 787.165,1371 392.867,1372 817.112,1373 1206.76,1374 772,1375 7.222} {0 CHEMBL296611,1 1.443,2 14.419,3 3.674,4 13.5,5 120.076,6 6.457,7 0.344,8 4.258,9 4.38,10 3.685,11 3.687,12 5.267,13 3.656,14 4.841,15 5.037,16 3.964,17 4.039,18 5.789,19 3.983,20 5.05,21 5.259,22 3.989,23 4.178,24 5.983,25 4.077,26 5.209,27 5.461,28 3.904,29 4.186,30 6.1,31 4.061,32 5.134,33 5.384,34 3.868,35 4.171,36 5.961,37 4.035,38 5.173,39 5.448,40 3.831,41 4.166,42 5.952,43 4.006,44 5.144,45 5.431,46 3.791,47 4.115,48 5.922,49 3.958,50 5.001,51 5.267,52 3.797,53 4.105,54 5.745,55 3.969,56 0.012,57 0.878,58 16.157,59 6.488,60 10.981,61 8.929,62 0.487,63 1.324,64 30.298,65 9.951,66 45.546,67 14.067,68 0.508,69 1.541,70 37.032,71 12.609,72 47.44,73 17.863,74 0.747,75 1.619,76 44.033,77 13.371,78 81.438,79 19.422,80 0.55,81 1.585,82 40.242,83 13.07,84 58.651,85 19.057,86 0.615,87 1.622,88 41.656,89 13.324,90 56.64,91 19.968,92 0.75,93 1.544,94 40.694,95 12.602,96 66.393,97 19.058,98 0.39,99 1.489,100 34.684,101 11.537,102 38.921,103 17.307,104 38,105 41,106 0.232,107 0.527,108 0.778,109 0.853,110 0.853,111 0.853,112 3.471,113 1.021,114 -3.6,115 -3.57,116 -3.4,118 35.8,119 3,120 3,122 1,123 1,124 5,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 9,171 2,172 7,180 9,185 2,186 11,194 5,197 1,198 7,206 3,209 1,210 6,218 3,221 2,222 7,229 1,233 2,234 7,242 2,247 6,255 3,258 1,259 8,267 5,270 2164,271 20.8,272 20.8,273 20.8,274 20.8,275 20.8,276 19.339,277 25.41,278 12.772,279 21.607,280 15.687,281 15.687,282 15.687,283 15.687,284 15.687,285 13.454,286 27.849,287 5.904,288 16.746,289 4.623,290 2.788,291 1.228,292 0.761,293 0.761,294 0.761,295 4.137,299 1,300 1,301 906,302 5.05,305 114.081,306 132.972,313 2.175,314 28.904,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68,326 447,327 4.429,328 4.026,329 7.247,330 4.348,331 3.35,332 3.635,333 2.443,334 12.141,335 3.337,336 4.035,337 3.016,338 5.584,339 3.632,340 2.687,341 3.552,342 1.151,343 7.703,344 2.582,345 3.956,346 2.907,347 5.479,348 3.586,349 2.641,350 3.49,351 0.86,352 7.335,353 2.45,354 3.496,355 2.66,356 5.113,357 3.19,358 2.278,359 2.767,360 0.86,361 6.29,362 2.078,363 3.381,364 2.638,365 5.042,366 3.109,367 2.17,368 2.434,369 0.286,370 6.115,371 2.02,372 3.011,373 2.489,374 4.682,375 2.76,376 1.806,377 2.013,379 4.51,380 1.71,381 2.643,382 1.966,383 3.731,384 2.536,385 1.587,386 1.661,388 3.323,389 1.49,390 2.556,391 1.804,392 3.503,393 2.142,394 1.25,395 1.565,397 2.707,398 1.112,399 2.5,400 1.639,401 3.414,402 2,403 1.113,404 1.5,406 2.41,407 1,408 2.221,409 1.276,410 3.405,411 1.998,412 1,413 1.207,415 2.275,416 0.973,417 2.118,418 1.156,419 3.224,420 1.835,421 0.872,422 0.96,424 1.66,425 0.824,426 2.062,427 1,428 3,429 1.643,430 0.696,431 0.927,433 1.372,434 0.65,435 1.78,436 0.972,437 2.931,438 1.554,439 0.618,440 0.738,442 1.269,443 0.577,444 1.65,445 0.618,446 2.792,447 1.4,448 0.528,449 0.577,451 0.866,452 0.456,453 1.089,454 0.452,455 2.601,456 0.888,457 -0.03,458 -0.032,460 -0.062,461 -0.027,462 14.467,463 0.467,464 0.645,465 0.021,466 31.5,467 1.016,468 12,469 0.387,470 19.5,471 0.629,472 32.967,473 1.063,474 37.133,475 0.554,476 23.537,477 0.759,478 6.207,479 0.2,480 8.734,481 0.282,482 0.161,483 0.035,484 0.166,487 0.832,488 1.635,489 0.922,490 1.473,491 0.686,492 1.248,493 1.284,494 0.995,495 1.034,496 0.97,497 0.826,498 0.955,499 1.111,500 1.213,501 1.123,502 1.249,503 0.944,504 1.201,505 1.431,506 0.898,507 1.114,508 0.923,509 1.805,510 0.963,511 1.126,512 1.049,513 1.075,514 1.067,515 1.174,516 1.068,517 0.846,518 1.002,519 0.964,520 1.02,521 0.737,522 1.013,523 0.881,524 0.836,525 0.876,526 0.808,527 0.719,528 0.838,529 0.831,530 0.973,531 0.939,532 0.937,533 0.605,534 0.947,535 6.5,536 0.231,537 3.111,538 1.472,539 0.897,540 0.591,541 0.294,542 0.297,543 0.288,544 0.235,545 13755,546 34958,547 1.952,548 53.7,549 10,550 18,551 1,552 2,555 5,558 1.736,559 1.833,560 3.777,561 -0.767,567 96.662,568 1.443,569 3.278,570 4.838,571 5.305,572 5.305,573 5.305,574 3.256,575 4.632,576 4.924,577 3.974,578 1848.09,579 8.602,580 29306,585 406.428,586 1.417,587 4.879,588 0.203,589 0.007,590 0.076,591 0.038,592 0.026,593 0.017,594 0.009,595 0.009,596 0.008,597 0.007,598 0.4,599 0.33,600 0.88,601 2.118,602 166.531,603 0.005,604 -0.3,605 0.063,606 -0.196,607 -0.011,608 -0.075,609 -0.059,610 0.125,611 0.006,612 0.09,613 0.034,614 0.065,615 -0.005,616 -0.153,617 -0.116,618 -0.184,619 0.013,620 -0.172,621 -0.159,622 0.036,623 -0.086,624 0.029,625 -0.197,626 -0.012,627 -0.084,628 -0.07,629 -0.084,630 -0.07,631 -0.102,632 -0.078,633 0.044,634 -0.047,635 0.002,636 -0.054,637 0.017,638 -0.035,639 0.06,640 0.078,641 0.097,642 0.127,643 0.068,644 0.119,645 -0.064,646 0.055,647 0.015,648 0.066,649 -0.042,650 0.058,651 1.805,652 5,653 0.355,654 36.949,655 0.998,656 1.136,657 2.365,658 5.594,659 0.615,660 3.497,661 3.738,662 3.871,663 3.932,664 3.951,665 3.912,666 3.912,667 3.932,668 4.007,669 4.094,670 8.467,671 0.576,672 432.62,673 3.497,674 4.99,675 5.778,676 6.6,677 7.403,678 8.227,679 9.035,680 9.86,681 10.67,682 11.495,683 3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 67,726 12,727 1,728 32,730 68,731 24,733 9,734 2,735 4,739 2,740 2,745 3,746 1,751 4,753 10,754 14,756 1,761 1,765 1,772 36,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 1,819 1,831 2,832 2,836 4,840 31,846 8,848 4,850 1,852 1,862 7.5,865 1,866 2,867 2,869 16.917,870 12.9,871 7.208,872 4.11,874 1.4,875 1.208,876 0.887,877 11.062,878 8.115,879 3.676,880 4.107,881 4.484,882 4.808,883 4.987,884 4.92,885 4.938,886 4.906,887 5.087,888 5.333,889 0.9,890 39,891 11.498,893 4.552,894 7.68,895 22.195,897 17.104,899 2.18,900 67.583,904 423.76,905 145.676,906 18.685,908 69.144,911 145.676,912 492.904,913 18.685,914 37.359,915 28.079,916 46.952,917 103.282,918 41.375,919 11.771,920 388.446,922 423.76,923 164.361,924 69.144,927 364.904,928 106,929 22,931 74.12,932 73.456,933 16.786,935 423.76,936 87.829,937 145.676,940 423.76,941 43.699,942 103.876,944 85.93,945 423.76,946 87.829,947 145.676,949 0.559,950 0.315,951 0.15,952 0.071,953 14,954 7,955 0.235,956 16,958 1,959 4.366,960 237.9,962 11,963 147.58,968 25.378,969 13.512,970 9.422,972 85.93,973 13.299,974 4.099,978 1.916,979 1.991,981 657.265,982 38.5,987 12,991 -0.138,994 66.861,995 76.102,996 0.238,997 0.54,998 0.797,999 0.874,1000 0.874,1001 0.874,1002 4.881,1003 1.25,1004 5.746,1005 3.323,1006 4.419,1007 4.792,1008 2.812,1009 6.488,1010 4.309,1011 6.026,1012 1.113,1013 7.276,1014 2.707,1015 4.007,1016 4.425,1017 2.243,1018 7.618,1019 3.927,1020 7.296,1021 1,1022 8.929,1023 2.41,1024 5.999,1025 6.774,1026 3.957,1027 10.555,1028 5.829,1029 8.604,1030 0.872,1031 10.666,1032 2.275,1033 6.479,1034 7.246,1035 4.269,1036 12.601,1037 6.358,1038 9.951,1039 0.696,1040 12.463,1041 1.66,1042 7.927,1043 9.047,1044 5.512,1045 15.177,1046 7.753,1047 11.322,1048 0.618,1049 14.304,1050 1.372,1051 8.803,1052 9.883,1053 6.158,1054 17.532,1055 8.673,1056 12.712,1057 0.528,1058 16.177,1059 1.269,1060 10.065,1061 11.452,1062 7.214,1063 20.04,1064 9.912,1065 3.35,1066 -0.03,1067 18.077,1068 0.866,1069 11.119,1070 12.468,1071 7.992,1072 22.493,1073 10.996,1074 2.687,1075 12.141,1076 19.995,1077 -0.062,1078 12.323,1079 13.92,1080 8.964,1081 24.989,1082 12.196,1083 2.641,1084 7.703,1085 21.929,1086 3.635,1087 13.457,1088 15.034,1089 9.802,1090 27.472,1091 13.347,1092 2.278,1093 7.335,1094 23.874,1095 3.552,1096 14.649,1097 16.422,1098 10.734,1099 29.967,1100 14.541,1101 2.17,1102 6.29,1103 25.828,1104 3.49,1105 15.819,1106 17.593,1107 11.599,1108 32.459,1109 15.721,1110 1.806,1111 6.115,1112 27.789,1113 2.767,1114 17.012,1115 18.941,1116 12.512,1117 34.955,1118 16.917,1119 1.587,1120 4.51,1121 29.754,1122 2.434,1123 18.199,1124 20.148,1125 13.391,1126 37.45,1127 18.109,1128 13872,1129 22230,1130 20.742,1131 41.228,1132 45.987,1133 46.89,1134 46.623,1135 45.126,1136 45.19,1137 54.048,1138 11.199,1139 119.952,1140 42.517,1141 5.402,1142 6.026,1143 7.015,1144 5.428,1145 5.35,1146 6.635,1147 4.174,1148 19.055,1149 5.337,1150 17.321,1151 1.437,1152 1.465,1153 1.457,1154 1.41,1155 1.412,1156 1.689,1157 0.35,1158 3.748,1159 1.329,1160 3.967,1161 4.019,1162 3.896,1163 3.855,1164 7.432,1165 3.856,1166 3.903,1167 3.938,1168 3.842,1169 3.742,1170 4.962,1171 3.757,1172 3.844,1173 3.884,1174 3.743,1175 3.696,1176 4.876,1177 3.705,1178 3.626,1179 3.666,1180 3.51,1181 3.422,1182 4.647,1183 3.432,1184 3.504,1185 3.56,1186 3.35,1187 3.299,1188 4.485,1189 3.301,1190 3.424,1191 3.494,1192 3.232,1193 3.237,1194 4.455,1195 3.221,1196 3.295,1197 3.35,1198 3.136,1199 3.064,1200 4.259,1201 3.076,1202 3.091,1203 3.163,1204 2.884,1205 2.828,1206 4.174,1207 2.821,1208 0.138,1209 0.126,1210 0.226,1211 0.136,1212 0.105,1213 4.429,1214 0.114,1215 4.026,1216 0.076,1217 7.247,1218 0.379,1219 4.348,1220 0.104,1221 3.35,1222 3.635,1223 2.443,1224 12.141,1225 3.337,1226 1.9,1227 1.878,1228 2.037,1229 2.009,1230 1.369,1231 2.013,1232 1.824,1233 1.782,1234 2.015,1235 1.984,1236 1.197,1237 1.998,1238 1.694,1239 1.644,1240 1.886,1241 1.918,1242 1.125,1243 1.909,1244 1.533,1245 1.472,1246 1.809,1247 1.761,1248 1.05,1249 1.776,1250 1.448,1251 1.372,1252 1.77,1253 1.68,1254 0.933,1255 1.712,1256 1.353,1257 1.302,1258 1.596,1259 1.613,1260 0.701,1261 1.605,1262 1.281,1263 1.219,1264 1.545,1265 1.527,1266 0.626,1267 1.529,1268 1.202,1269 1.132,1270 1.453,1271 1.496,1272 0.598,1273 1.498,1274 4.174,1276 5.434,1277 2.398,1278 6.866,1279 4.443,1280 8.376,1281 6.26,1282 9.927,1284 7.349,1290 5.256,1292 22.354,1294 -0.078,1296 -0.465,1300 38.572,1301 96.662,1302 219.63,1303 324.124,1304 355.408,1305 355.408,1306 355.408,1307 83.85,1308 6.715,1309 71.81,1310 71.81,1311 11,1312 12.075,1313 3.7,1314 2.907,1315 73.029,1316 150,1317 167,1318 0.217,1319 242.205,1320 427.35,1321 582.741,1322 6998,1324 22.529,1325 0.727,1326 0.62,1327 22.529,1328 19.211,1329 14.941,1330 0.467,1331 0.34,1332 10.686,1333 14.131,1334 10.29,1335 8.634,1336 14.941,1337 10.895,1338 12.756,1339 0.311,1340 0.199,1341 12.756,1342 8.177,1343 9.899,1344 0.211,1345 0.108,1346 9.899,1347 5.083,1348 6.982,1349 0.14,1350 0.063,1351 6.982,1352 3.161,1353 4.702,1354 0.092,1355 0.039,1356 4.702,1357 1.978,1358 0.353,1359 95.268,1360 0.22,1361 30.088,1362 0.559,1363 146,1364 467.968,1365 164.692,1366 426.65,1367 561.68,1368 402,1369 161,1370 381.748,1371 180.307,1372 384.901,1373 549.72,1374 355,1375 4.754} {0 CHEMBL296720,1 1.748,2 11.323,3 2.936,4 8.62,5 118.845,6 8.953,7 0.529,8 4.05,9 4.121,10 3.928,11 3.7,12 5.195,13 3.649,14 4.573,15 4.677,16 4.23,17 4.098,18 5.966,19 4.022,20 4.836,21 4.972,22 4.388,23 4.284,24 6.014,25 4.19,26 4.959,27 5.112,28 4.402,29 4.3,30 6.182,31 4.178,32 4.917,33 5.095,34 4.251,35 4.25,36 6.012,37 4.123,38 4.865,39 5.057,40 4.133,41 4.152,42 5.948,43 4.017,44 4.85,45 5.059,46 4.092,47 4.071,48 5.939,49 3.94,50 4.751,51 4.947,52 4.079,53 3.93,54 6.004,55 3.827,56 0.145,57 0.714,58 10.517,59 5.287,60 24.005,61 5.255,62 0.513,63 1.179,64 20.692,65 9.337,66 76.529,67 9.419,68 0.411,69 1.525,70 31.283,71 12.885,72 53.415,73 13.239,74 0.799,75 1.669,76 40.642,77 15.058,78 110.834,79 14.257,80 0.595,81 1.6,82 37.453,83 14.35,84 83.83,85 15.101,86 0.687,87 1.506,88 32.929,89 12.998,90 80.86,91 14.64,92 0.543,93 1.503,94 33.341,95 12.665,96 67.469,97 14.452,98 0.638,99 1.318,100 32.87,101 11.574,102 91.852,103 11.692,104 18,105 48,106 0.289,107 0.63,108 0.8,109 0.893,110 0.906,111 0.913,112 3.472,113 1.066,114 -3.25,115 -3.24,116 -3.11,118 43.1,124 3,126 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 5,175 3,177 1,180 13,181 2,186 9,191 4,194 11,195 2,197 2,198 8,201 1,203 3,206 11,210 3,211 1,215 2,218 11,219 2,221 1,222 2,225 1,227 5,229 8,230 2,234 7,237 1,239 6,242 4,243 2,247 8,252 4,253 1,255 2,256 1,258 2,259 11,262 1,263 1,264 1,267 5,270 1772,271 20.852,272 20.852,273 20.852,274 20.852,275 20.852,276 18.268,277 17.155,278 12.337,279 21.403,280 16.783,281 16.783,282 16.783,283 16.783,284 16.783,285 12.809,286 16.418,287 5.808,288 17.682,289 3.925,290 1.863,291 0.834,292 0.275,293 0.196,294 0.157,295 4.168,299 1,300 1,301 759,302 4.062,306 229.866,307 79.657,311 251.214,313 1.409,314 44.233,317 1,318 0.83,319 1,320 0.6,321 0.5,322 1,323 1,324 0.85,325 68,326 351,327 4.842,328 4.684,329 7.292,330 4.288,331 3.372,332 4.694,333 3.691,334 12.402,335 3.099,336 4.487,337 4.566,338 6.808,339 4.174,340 3.207,341 4.085,342 1.437,343 11.265,344 3.057,345 4.162,346 3.582,347 6.137,348 3.778,349 2.781,350 3.771,351 1.151,352 8.959,353 2.765,354 3.825,355 3.307,356 5.823,357 3.455,358 2.469,359 3.196,360 0.462,361 7.815,362 2.421,363 3.557,364 2.836,365 5.267,366 3.063,367 2.157,368 3.053,370 6.344,371 1.991,372 3.325,373 2.739,374 4.927,375 3.015,376 2.045,377 2.478,379 5.388,380 1.936,381 2.929,382 2.069,383 4.264,384 2.499,385 1.561,386 2.1,388 3.648,389 1.479,390 2.775,391 2.003,392 3.969,393 2.427,394 1.468,395 1.841,397 3.45,398 1.369,399 2.736,400 1.709,401 3.787,402 2.288,403 1.295,404 1.8,406 3.086,407 1.285,408 2.723,409 1.525,410 3.705,411 2.257,412 1.26,413 1.781,415 2.917,416 1.234,417 2.598,418 1.433,419 3.602,420 2.147,421 1.193,422 1.599,424 2.75,425 1.129,426 2.5,427 1.38,428 3.403,429 1.956,430 1,431 1.5,433 2.136,434 0.953,435 2.163,436 1.032,437 3.247,438 1.797,439 0.855,440 1.079,442 2.087,443 0.793,444 1.832,445 1,446 3.201,447 1.529,448 0.646,449 0.74,451 1.528,452 0.561,453 1.289,454 0.997,455 2.97,456 1.028,457 0.133,458 0.149,460 0.323,461 0.117,462 15.133,463 0.488,464 0.804,465 0.026,466 42.25,467 1.363,468 23,469 0.742,470 19.25,471 0.621,472 26.344,473 0.85,474 32.867,475 0.644,476 33.32,477 1.075,478 7.924,479 0.256,480 7.03,481 0.227,482 0.088,483 0.055,484 0.264,487 0.651,488 1.105,489 0.767,490 1.039,491 0.694,492 0.847,493 0.68,494 1.002,495 1.082,496 1.051,497 0.493,498 0.97,499 0.867,500 1.14,501 1.136,502 1.197,503 0.736,504 1.038,505 1.191,506 0.958,507 1.204,508 1.074,509 1.14,510 1.067,511 0.906,512 1.04,513 1.137,514 1.132,515 0.886,516 1.084,517 0.679,518 1.063,519 0.962,520 1.057,521 0.645,522 1.128,523 0.812,524 1.105,525 0.938,526 1.037,527 0.772,528 1.065,529 1.308,530 0.951,531 1.032,532 0.956,533 1.368,534 0.895,535 6,536 0.205,537 4.222,538 2.25,539 1.669,540 1.045,541 0.591,542 0.55,543 0.491,544 0.369,545 12614,546 42053,547 2.077,548 39.2,550 16,552 2,553 2,558 1.74,559 1.948,560 3.424,561 0.257,563 1,567 89.138,568 1.748,569 3.81,570 4.839,571 5.398,572 5.476,573 5.516,574 2.736,575 4.632,576 4.927,577 3.617,578 1681.79,579 8.625,580 23950.3,585 289.294,586 1.501,587 4.881,588 0.176,589 0.006,590 0.088,591 0.042,592 0.034,593 0.023,594 0.015,595 0.015,596 0.014,597 0.01,598 0.423,599 0.33,600 1,601 0.701,602 160.25,603 0.012,604 -0.034,605 0.15,606 -0.004,607 -0.124,608 0.055,609 0.157,610 0.065,611 -0.096,612 -0.011,613 0.234,614 -0.052,615 -0.064,616 -0.12,617 -0.062,618 -0.108,619 0.005,620 -0.053,621 -0.132,622 0.047,623 -0.087,624 0.009,625 -0.106,626 -0.087,627 -0.078,628 -0.063,629 -0.073,630 -0.078,631 -0.079,632 -0.059,633 0.106,634 -0.106,635 -0.007,636 -0.087,637 0.02,638 -0.107,639 0.011,640 -0.134,641 0.057,642 -0.063,643 -0.008,644 -0.035,645 -0.152,646 0.028,647 0.082,648 0.078,649 -0.107,650 0.114,651 4.554,652 5.409,653 0.677,654 29.134,655 1.019,656 1.11,657 2.025,658 4.099,659 0.714,660 3.555,661 3.892,662 4.159,663 4.394,664 4.654,665 4.762,666 4.89,667 4.984,668 5.13,669 5.226,670 6.835,671 0.681,672 456.58,673 3.555,674 5.106,675 5.958,676 6.843,677 7.716,678 8.606,679 9.488,680 10.38,681 11.266,682 12.16,683 3.9,685 1,693 1,699 11,700 1,704 6,706 18,714 1,722 1,724 51,726 21,727 2,728 34,730 54,731 22,733 17,734 5,735 7,736 1,739 4,740 7,748 1,751 1,753 18,754 4,756 3,760 1,761 3,765 1,769 1,772 20,773 7,774 2,775 9,776 2,779 2,784 0.5,785 5,795 1,802 3,803 1,807 2,830 1,832 2,833 1,834 2,840 31,844 1,845 1,846 3,847 1,848 1,849 1,850 1,862 9.8,864 1,865 3,867 1,869 15.917,870 8.9,871 6.764,872 2.815,874 3.236,875 1.41,876 0.978,877 6.512,878 11.122,879 3.85,880 4.46,881 4.975,882 5.48,883 6.01,884 6.185,885 6.528,886 6.75,887 7.151,888 7.481,889 1,890 54,891 11.734,893 5.342,894 8.024,895 21.585,897 18.117,899 2.524,900 78.25,903 1,904 211.88,905 169.452,906 33.191,908 123.141,910 38.027,911 131.425,912 335.021,913 33.191,915 7.598,916 107.499,917 153.379,918 48.631,920 220.557,922 211.88,923 164.616,924 123.141,925 38.027,927 211.88,928 123.141,931 42.098,932 105.733,933 22.593,934 32.22,935 211.88,936 156.332,937 169.452,939 5.807,940 211.88,941 60.264,942 103.381,943 16.405,944 139.927,945 211.88,946 156.332,947 169.452,949 0.584,950 0.342,951 0.18,952 0.1,953 23,954 10,955 0.13,956 7,957 2,958 1.19,959 4.13,960 284.58,961 0.19,962 21,963 151.58,964 1,967 1,968 21.69,969 9.308,970 4.872,972 156.332,973 18.585,974 3.849,978 3.752,980 59.088,981 537.664,982 46,986 -3.638,987 36.319,991 -1.006,994 51.945,995 56.62,996 0.308,997 0.672,998 0.853,999 0.952,1000 0.965,1001 0.972,1002 5.091,1003 1.468,1004 5.969,1005 3.648,1006 4.575,1007 5.147,1008 3.53,1009 6.825,1010 4.477,1011 6.319,1012 1.295,1013 7.564,1014 3.45,1015 4.29,1016 5.147,1017 2.218,1018 8.034,1019 4.136,1020 7.661,1021 1.26,1022 9.278,1023 3.086,1024 6.248,1025 7.424,1026 5.841,1027 11.086,1028 6.05,1029 9.048,1030 1.193,1031 11.066,1032 2.917,1033 6.815,1034 8.271,1035 5.197,1036 13.125,1037 6.538,1038 10.474,1039 1,1040 12.903,1041 2.75,1042 8.269,1043 10.064,1044 8.367,1045 15.764,1046 7.952,1047 11.928,1048 0.855,1049 14.771,1050 2.136,1051 9.197,1052 11.274,1053 8.083,1054 18.09,1055 8.793,1056 13.404,1057 0.646,1058 16.661,1059 2.087,1060 10.473,1061 12.894,1062 10.926,1063 20.618,1064 10.019,1065 3.372,1066 0.133,1067 18.568,1068 1.528,1069 11.554,1070 14.269,1071 10.89,1072 23.047,1073 11.013,1074 3.207,1075 12.402,1076 20.487,1077 0.323,1078 12.769,1079 15.825,1080 13.492,1081 25.546,1082 12.167,1083 2.781,1084 11.265,1085 22.415,1086 4.694,1087 13.914,1088 17.278,1089 13.647,1090 28.015,1091 13.228,1092 2.469,1093 8.959,1094 24.351,1095 4.085,1096 15.11,1097 18.811,1098 16.062,1099 30.51,1100 14.355,1101 2.157,1102 7.815,1103 26.293,1104 3.771,1105 16.283,1106 20.304,1107 16.372,1108 32.996,1109 15.446,1110 2.045,1111 6.344,1112 28.241,1113 3.196,1114 17.476,1115 21.832,1116 18.636,1117 35.492,1118 16.564,1119 1.561,1120 5.388,1121 30.192,1122 3.053,1123 18.662,1124 23.345,1125 19.075,1126 37.987,1127 17.669,1128 12044,1129 22151,1130 22.652,1131 36.432,1132 51.027,1133 55.368,1134 52.097,1135 50.813,1136 50.885,1137 67.734,1138 13.48,1139 148.195,1140 48.376,1141 5.796,1142 6.684,1143 7.094,1144 5.424,1145 5.372,1146 7.694,1147 7.163,1148 19.764,1149 5.099,1150 14.645,1151 1.501,1152 1.628,1153 1.532,1154 1.494,1155 1.497,1156 1.992,1157 0.396,1158 4.359,1159 1.423,1160 4.075,1161 4.073,1162 4.735,1163 4.045,1164 7.717,1165 3.993,1166 4.021,1167 4.015,1168 4.077,1169 3.981,1170 7.475,1171 3.923,1172 3.822,1173 3.842,1174 3.773,1175 3.765,1176 6.999,1177 3.762,1178 3.636,1179 3.676,1180 3.698,1181 3.513,1182 6.351,1183 3.47,1184 3.407,1185 3.41,1186 3.637,1187 3.371,1188 4.885,1189 3.278,1190 3.332,1191 3.335,1192 3.288,1193 3.114,1194 4.859,1195 3.136,1196 3.145,1197 3.183,1198 3.025,1199 2.987,1200 4.632,1201 2.975,1202 3.071,1203 3.108,1204 2.977,1205 2.9,1206 4.243,1207 2.914,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.842,1214 0.138,1215 4.684,1216 0.109,1217 7.292,1218 0.365,1219 4.288,1220 0.091,1221 3.372,1222 4.694,1223 3.691,1224 12.402,1225 3.099,1226 1.961,1227 1.947,1228 2.042,1229 2.021,1230 1.286,1231 2.052,1232 1.912,1233 1.921,1234 1.967,1235 2.007,1236 1.137,1237 2.026,1238 1.87,1239 1.853,1240 1.918,1241 1.968,1242 1.095,1243 1.968,1244 1.559,1245 1.52,1246 1.73,1247 1.75,1248 0.987,1249 1.775,1250 1.312,1251 1.323,1252 1.453,1253 1.503,1254 0.623,1255 1.5,1256 1.218,1257 1.2,1258 1.337,1259 1.429,1260 0.591,1261 1.455,1262 1.14,1263 1.103,1264 1.177,1265 1.339,1266 0.471,1267 1.336,1268 0.993,1269 0.962,1270 1.157,1271 1.208,1272 0.177,1273 1.224,1274 4.234,1276 5.565,1278 7.093,1279 2.708,1280 8.708,1281 5.38,1282 10.37,1289 9.421,1290 1.088,1291 2.594,1292 5.934,1293 1.537,1294 -0.184,1300 34.732,1301 89.138,1302 194.304,1303 246.764,1304 275.294,1305 279.294,1306 281.294,1307 72.088,1308 7.886,1309 105.59,1310 139.27,1311 25,1312 12.688,1313 4.459,1314 3.7,1315 49.284,1316 122,1317 139,1318 0.187,1319 218.786,1320 383.59,1321 525.598,1322 31799,1324 21.847,1325 0.705,1326 0.581,1327 22.45,1328 18.026,1329 14.954,1330 0.44,1331 0.355,1332 9.642,1333 13.181,1334 9.237,1335 7.593,1336 16.23,1337 12.079,1338 13.76,1339 0.287,1340 0.205,1341 15.64,1342 9.863,1343 11.326,1344 0.18,1345 0.121,1346 13.13,1347 7.611,1348 9.171,1349 0.115,1350 0.072,1351 10.854,1352 5.737,1353 7.671,1354 0.074,1355 0.042,1356 9.342,1357 4.396,1358 0.293,1359 106.468,1360 0.21,1361 28.941,1362 0.518,1363 164,1364 540.791,1365 238.216,1366 556.446,1367 740.22,1368 514,1369 193,1370 484.488,1371 271.466,1372 536.198,1373 784.71,1374 502,1375 5.854} {0 CHEMBL296746,1 1.504,2 8.769,3 2.754,4 7.586,5 97.821,6 7.873,7 0.621,8 3.899,9 3.995,10 3.513,11 3.491,12 5.07,13 3.481,14 4.397,15 4.528,16 3.859,17 3.881,18 5.61,19 3.851,20 4.682,21 4.844,22 4.004,23 4.071,24 5.754,25 4.018,26 4.821,27 5.022,28 3.935,29 4.061,30 5.859,31 3.986,32 4.802,33 5.018,34 3.884,35 4.066,36 5.756,37 3.976,38 4.764,39 4.978,40 3.869,41 4.026,42 5.862,43 3.932,44 4.673,45 4.869,46 3.857,47 3.964,48 5.796,49 3.894,50 4.632,51 4.832,52 3.659,53 3.782,54 5.851,55 3.71,56 0.048,57 0.587,58 7.956,59 3.992,60 10.363,61 4.697,62 0.227,63 0.962,64 14.539,65 6.498,66 37.086,67 7.863,68 0.131,69 1.254,70 20.478,71 9.215,72 28.204,73 11.59,74 0.41,75 1.434,76 26.465,77 10.111,78 51.127,79 12.794,80 0.298,81 1.396,82 26.325,83 10.428,84 45.061,85 13.63,86 0.571,87 1.306,88 25.896,89 10.251,90 60.805,91 13.528,92 0.189,93 1.191,94 22.397,95 9.49,96 37.733,97 12.166,98 0.411,99 1.115,100 22.948,101 8.466,102 66.054,103 10.286,104 6,105 40,106 0.258,107 0.592,108 0.775,109 0.886,110 0.913,111 0.92,112 3.305,113 0.871,114 -3.63,115 -3.6,116 -3.43,118 47.7,124 2,126 1,140 9,141 5,142 1,143 2,154 1,163 1,167 1,168 12,169 1,172 6,175 1,177 4,180 12,181 2,186 7,191 6,194 8,195 2,198 5,201 2,203 7,206 9,210 1,211 1,215 2,216 1,218 14,219 1,221 1,222 4,225 2,226 1,227 1,229 16,230 2,234 6,239 2,242 12,243 3,246 1,247 8,252 3,255 6,256 2,259 4,260 1,264 2,267 2,268 1,270 1078,271 17.913,272 17.913,273 17.913,274 17.913,275 17.913,276 15.592,277 19.267,278 10.713,279 18.147,280 14.337,281 14.337,282 14.337,283 14.337,284 14.337,285 10.864,286 25.442,287 5.092,288 14.706,289 3.956,290 2.004,291 0.938,292 0.29,293 0.136,294 0.091,295 4.008,298 1,299 1,300 1,301 497,302 2.915,306 167.169,307 56.959,311 184.415,313 1.13,314 25.114,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 56,326 228,327 4.488,328 3.622,329 6.809,330 4.19,331 3.209,332 4.086,333 1.437,334 11.266,335 3.148,336 4.162,337 3.525,338 6.137,339 3.779,340 2.782,341 3.771,342 1.203,343 8.959,344 2.769,345 3.897,346 2.838,347 5.823,348 3.508,349 2.523,350 3.444,351 1.151,352 7.816,353 2.484,354 3.823,355 2.783,356 5.364,357 3.45,358 2.463,359 3.196,360 0.54,361 6.995,362 2.422,363 3.315,364 2.617,365 5.237,366 3.064,367 2.124,368 2.474,370 6.294,371 1.989,372 2.934,373 1.962,374 4.264,375 2.5,376 1.533,377 2.103,379 3.648,380 1.486,381 2.917,382 1.669,383 3.938,384 2.458,385 1.478,386 2.089,388 3.343,389 1.441,390 2.775,391 1.574,392 3.763,393 2.288,394 1.295,395 1.841,397 3.118,398 1.285,399 2.736,400 1.409,401 3.637,402 2.258,403 1.26,404 1.782,406 2.917,407 1.234,408 2.5,409 1.16,410 3.542,411 1.965,412 1,413 1.5,415 2.47,416 0.963,417 2.321,418 1.031,419 3.247,420 1.953,421 1,422 1.274,424 2.136,425 0.95,426 1.922,427 1,428 3.209,429 1.619,430 0.694,431 0.827,433 1.62,434 0.635,435 1.426,436 0.503,437 2.955,438 1.166,439 0.217,440 0.254,442 0.548,443 0.205,444 1.185,445 0.472,446 2.666,447 0.855,448 -0.114,449 -0.139,451 -0.291,452 -0.109,453 0.774,454 0.231,455 2.325,456 0.404,457 -0.556,458 -0.681,460 -1.294,461 -0.531,462 12.3,463 0.473,464 0.538,465 0.021,466 36.5,467 1.404,468 20,469 0.769,470 16.5,471 0.635,472 18.516,473 0.712,474 26.7,475 0.607,476 27.332,477 1.051,478 7.525,479 0.289,480 5.195,481 0.2,482 0.054,484 0.325,487 0.827,488 1.064,489 0.744,490 0.93,491 0.735,492 0.839,493 0.827,494 1.021,495 0.913,496 0.959,497 0.496,498 0.942,499 0.789,500 1.243,501 0.921,502 1.174,503 0.599,504 1.092,505 1.079,506 1.033,507 1.1,508 1.026,509 0.874,510 1.056,511 0.871,512 0.972,513 0.99,514 0.982,515 0.706,516 0.997,517 0.65,518 0.813,519 0.915,520 0.888,521 0.676,522 0.939,523 0.854,524 1.062,525 0.885,526 1.081,527 0.991,528 1.01,529 1.469,530 1.051,531 1.193,532 1.039,533 1.741,534 1.07,535 4,536 0.037,537 2.889,538 1.375,539 1.332,540 0.92,541 0.625,542 0.349,543 0.222,544 0.142,545 7347,546 20904,547 2.148,548 40.9,550 14,552 2,553 2,558 1.7,559 2.053,560 3.102,561 0.213,562 1,563 1,567 66.163,568 1.504,569 3.455,570 4.521,571 5.17,572 5.323,573 5.369,574 2.442,575 4.393,576 4.67,577 3.248,578 1055.56,579 8.142,580 12855.5,582 1,584 1,585 240.215,586 1.239,587 4.65,588 0.138,589 0.005,590 0.072,591 0.031,592 0.033,593 0.024,594 0.016,595 0.009,596 0.008,597 0.008,598 0.344,599 0.33,600 1,601 0.646,602 124.239,603 -0.075,604 -0.006,605 0.027,606 0.041,607 -0.089,608 0.051,609 0.025,610 0.035,611 -0.074,613 0.142,614 -0.039,615 -0.018,616 -0.249,617 -0.038,618 -0.194,619 0.028,620 -0.135,621 -0.079,622 -0.02,623 -0.124,624 -0.07,625 -0.07,626 -0.1,627 -0.068,628 0.011,629 -0.019,630 -0.001,631 -0.049,632 0.003,633 0.239,634 0.144,635 0.073,636 0.107,637 0.139,638 0.069,639 0.001,640 -0.12,641 0.072,642 -0.082,643 -0.016,644 -0.008,645 -0.162,646 -0.098,647 -0.158,648 -0.071,649 -0.203,650 -0.111,651 2.614,652 4.435,653 0.808,654 21.112,655 1.006,656 1.112,657 2.401,658 5.763,659 0.692,660 3.401,661 3.714,662 4.007,663 4.277,664 4.575,665 4.718,666 4.875,667 5.004,668 5.147,669 5.236,670 5.462,671 0.668,672 346.41,673 3.401,674 4.934,675 5.79,676 6.666,677 7.543,678 8.428,679 9.315,680 10.207,681 11.099,682 11.994,683 4.5,685 1,693 1,699 11,700 1,704 6,706 18,714 1,722 1,724 44,726 19,727 2,728 29,730 47,731 21,733 17,734 5,735 7,736 1,739 4,740 7,748 1,751 1,753 18,754 3,756 1,761 1,765 1,768 1,769 1,772 18,773 5,774 2,775 5,779 2,784 0.5,785 3,795 1,802 3,803 1,807 2,826 1,830 1,832 2,840 26,845 1,846 2,847 1,848 1,850 1,862 6.8,864 1,865 1,867 1,869 12.667,870 7.733,871 5.722,872 2.496,874 3.335,875 1.436,876 0.987,877 4.59,878 10.992,879 3.689,880 4.27,881 4.834,882 5.37,883 5.928,884 6.112,885 6.488,886 6.842,887 7.282,888 7.655,889 0.833,890 45,891 9.606,893 4.147,894 7.808,895 18.23,897 15.128,899 2.308,900 60,903 1,904 188.338,905 132.16,906 34.796,908 78.828,911 132.16,912 267.166,913 34.796,915 6.698,916 103.297,917 109.066,918 50.266,920 164.795,922 188.338,923 166.957,924 78.828,927 188.338,928 78.828,931 42.804,932 107.367,933 16.786,935 188.338,936 113.624,937 132.16,940 188.338,941 28.779,942 103.381,943 18.011,944 95.614,945 188.338,946 113.624,947 132.16,949 0.577,950 0.338,951 0.184,952 0.107,953 20,954 8,955 0.085,956 4,957 2,958 1.19,959 3.73,960 229.804,961 0.19,962 21,963 122.211,968 16.615,969 7.183,970 3.447,972 113.624,973 20.557,974 4.15,978 5.029,980 60.694,981 434.122,982 39,987 11.435,991 -0.948,994 44.254,995 48.946,996 0.275,997 0.633,998 0.828,999 0.947,1000 0.975,1001 0.983,1002 4.909,1003 1.295,1004 5.759,1005 3.343,1006 4.394,1007 4.956,1008 2.366,1009 6.567,1010 4.347,1011 6.1,1012 1.26,1013 7.311,1014 3.118,1015 3.892,1016 4.605,1017 0.747,1018 7.479,1019 3.849,1020 7.393,1021 1,1022 8.969,1023 2.917,1024 5.974,1025 7.098,1026 2.758,1027 10.602,1028 5.893,1029 8.721,1030 1,1031 10.692,1032 2.47,1033 6.33,1034 7.569,1035 1.15,1036 12.385,1037 6.252,1038 10.082,1039 0.694,1040 12.457,1041 2.136,1042 7.847,1043 9.512,1044 3.281,1045 15.02,1046 7.739,1047 11.467,1048 0.217,1049 14.252,1050 1.62,1051 8.608,1052 10.381,1053 1.492,1054 17.16,1055 8.496,1056 12.869,1057 -0.114,1058 16.067,1059 0.548,1060 9.893,1061 12.067,1062 3.872,1063 19.64,1064 9.757,1065 3.209,1066 -0.556,1067 17.898,1068 -0.291,1069 10.852,1070 13.151,1071 1.82,1072 21.934,1073 10.705,1074 2.782,1075 11.266,1076 19.741,1077 -1.294,1078 12.042,1079 14.702,1080 4.506,1081 24.366,1082 11.875,1083 2.523,1084 8.959,1085 21.594,1086 4.086,1087 13.099,1088 15.91,1089 2.151,1090 26.728,1091 12.915,1092 2.463,1093 7.816,1094 23.455,1095 3.771,1096 14.256,1097 17.387,1098 5.169,1099 29.147,1100 14.052,1101 2.124,1102 6.995,1103 25.323,1104 3.444,1105 15.36,1106 18.668,1107 2.489,1108 31.539,1109 15.138,1110 1.533,1111 6.294,1112 27.198,1113 3.196,1114 16.509,1115 20.104,1116 5.852,1117 33.955,1118 16.267,1119 1.478,1120 3.648,1121 29.077,1122 2.474,1123 17.638,1124 21.43,1125 2.835,1126 36.362,1127 17.376,1128 6985,1129 11886,1130 19.879,1131 30.466,1132 43.469,1133 44.122,1134 44.121,1135 43.113,1136 43.158,1137 57.282,1138 8.661,1139 122.258,1140 42.016,1141 5.392,1142 5.622,1143 6.611,1144 5.252,1145 5.209,1146 7.086,1147 2.873,1148 18.627,1149 5.148,1150 9.227,1151 1.499,1152 1.521,1153 1.521,1154 1.487,1155 1.488,1156 1.975,1157 0.299,1158 4.216,1159 1.449,1160 4.057,1161 4.079,1162 4.008,1163 3.984,1164 7.475,1165 3.987,1166 3.868,1167 3.909,1168 3.804,1169 3.768,1170 6.351,1171 3.771,1172 3.822,1173 3.842,1174 3.766,1175 3.765,1176 4.917,1177 3.762,1178 3.402,1179 3.462,1180 3.328,1181 3.213,1182 4.862,1183 3.228,1184 3.309,1185 3.327,1186 3.21,1187 3.075,1188 4.632,1189 3.099,1190 3.123,1191 3.153,1192 2.999,1193 2.927,1194 4.259,1195 2.935,1196 3.008,1197 3.065,1198 2.873,1199 2.885,1200 4.15,1201 2.881,1202 2.763,1203 2.849,1204 2.621,1205 2.629,1206 3.816,1207 2.616,1208 0.155,1209 0.125,1210 0.235,1211 0.144,1212 0.111,1213 4.488,1214 0.141,1215 3.622,1216 0.05,1217 6.809,1218 0.388,1219 4.19,1220 0.109,1221 3.209,1222 4.086,1223 1.437,1224 11.266,1225 3.148,1226 1.97,1227 1.948,1228 2.065,1229 2.055,1230 1.278,1231 2.059,1232 1.87,1233 1.853,1234 1.975,1235 1.968,1236 1.099,1237 1.971,1238 1.842,1239 1.804,1240 1.958,1241 1.961,1242 1.063,1243 1.963,1244 1.346,1245 1.293,1246 1.559,1247 1.586,1248 0.681,1249 1.577,1250 1.215,1251 1.183,1252 1.453,1253 1.476,1254 0.607,1255 1.454,1256 1.078,1257 1.037,1258 1.297,1259 1.319,1260 0.488,1261 1.296,1262 0.986,1263 0.945,1264 1.177,1265 1.178,1266 0.176,1267 1.206,1268 0.781,1269 0.72,1270 1.077,1271 0.986,1272 0.136,1273 1.011,1274 4.078,1276 5.389,1278 6.903,1279 2.708,1280 8.507,1281 5.38,1282 10.158,1289 9.377,1290 1.074,1291 3.543,1292 5.947,1294 -0.164,1300 29.402,1301 66.163,1302 152.022,1303 198.931,1304 227.46,1305 234.215,1306 236.215,1307 40.638,1308 7.656,1309 71.45,1310 71.45,1311 25,1312 12.52,1313 4.322,1314 3.459,1315 37.632,1316 80,1317 96,1318 0.221,1319 178.939,1320 311.69,1321 428.372,1322 22481,1324 17.933,1325 0.69,1326 0.541,1327 17.933,1328 14.053,1329 12.72,1330 0.439,1331 0.29,1332 8.322,1333 12.314,1334 8.157,1335 6.739,1336 12.72,1337 8.423,1338 11.272,1339 0.282,1340 0.156,1341 11.272,1342 6.22,1343 9.64,1344 0.179,1345 0.084,1346 9.64,1347 4.55,1348 8.027,1349 0.113,1350 0.046,1351 8.027,1352 3.251,1353 6.916,1354 0.072,1355 0.025,1356 6.916,1357 2.356,1358 0.333,1359 79.339,1360 0.224,1361 24.522,1362 0.65,1363 138,1364 403.599,1365 149.08,1366 390.774,1367 531.58,1368 366,1369 163,1370 383.642,1371 173.973,1372 391.537,1373 572.45,1374 368,1375 7.268} {0 CHEMBL296945,1 1.76,2 7.111,3 1.973,4 3.892,5 70.565,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.71,13 3.098,14 3.936,15 4.053,16 3.641,17 3.529,18 5.25,19 3.469,20 4.072,21 4.216,22 3.612,23 3.591,24 5.194,25 3.482,26 4.169,27 4.335,28 3.661,29 3.537,30 5.341,31 3.435,32 4.005,33 4.18,34 3.341,35 3.357,36 5.154,37 3.246,38 3.894,39 4.089,40 3.251,41 3.191,42 5.065,43 3.097,44 3.685,45 3.879,46 2.701,47 2.812,48 4.93,49 2.723,50 3.236,51 3.494,52 2.244,53 2.195,54 4.504,55 2.154,56 0.062,57 0.393,58 4.01,59 2.486,60 8.027,61 2.491,62 0.232,63 0.66,64 8.613,65 4.115,66 28.944,67 4.143,68 0.13,69 0.701,70 9.774,71 5.318,72 16.909,73 5.854,74 0.251,75 0.802,76 19.02,77 6.773,78 26.653,79 6.649,80 0.166,81 0.659,82 12.398,83 5.285,84 20.937,85 5.686,86 0.196,87 0.604,88 13.052,89 4.701,90 24.562,91 5.002,92 0.294,93 0.455,94 9.134,95 3.375,96 32.84,97 3.474,98 0.109,99 0.287,100 6.34,101 2.182,102 11.597,103 2.659,104 6,105 28,106 0.334,107 0.734,108 0.867,109 0.899,110 0.899,111 0.899,112 2.962,113 0.947,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 3,141 3,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 8,181 1,186 2,191 1,194 6,195 2,198 6,203 2,206 2,207 2,210 5,215 2,219 1,222 4,223 1,227 1,233 1,234 2,237 1,248 1,258 1,262 1,270 332,271 12.276,272 12.276,273 12.276,274 12.276,275 12.276,276 10.361,277 10.659,278 7.266,279 12.62,280 9.883,281 9.883,282 9.883,283 9.883,284 9.883,285 7.035,286 15.208,287 3.424,288 10.433,289 3.047,290 0.943,291 0.241,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 276,302 2.55,305 76.338,306 41.982,309 63.894,313 1.136,314 16.458,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 128,327 4.644,328 3.62,329 6.789,330 4.168,331 3.201,332 4.601,333 1.437,334 11.148,335 3.092,336 4.007,337 3.137,338 5.983,339 3.621,340 2.659,341 3.53,342 0.522,343 8.395,344 2.562,345 3.801,346 2.666,347 5.368,348 3.321,349 2.379,350 3.281,352 6.898,353 2.22,354 3.213,355 2.185,356 4.869,357 2.767,358 1.774,359 2.42,361 5.024,362 1.748,363 3.046,364 1.551,365 4.148,366 2.475,367 1.546,368 2.317,370 3.706,371 1.422,372 2.609,373 1.366,374 3.67,375 2.11,376 1.185,377 1.646,379 2.637,380 1.091,381 2.515,382 1.153,383 3.469,384 1.933,385 1,386 1.488,388 2.435,389 0.908,390 2.159,391 0.855,392 3.247,393 1.585,394 0.687,395 0.976,397 1.704,398 0.6,399 2.118,400 0.618,401 3,402 1.553,403 0.618,404 0.927,406 1.372,407 0.577,408 1.222,409 0.427,410 2.649,411 0.832,412 -0.121,413 -0.157,415 -0.313,416 -0.114,417 0.662,418 0.051,419 2.305,420 0.138,421 -0.802,422 -1.055,424 -2,425 -0.717,426 0.553,427 -0.701,428 2,429 0.112,430 -0.863,431 -1.163,433 -2.094,434 -0.826,435 0.418,436 -0.8,437 1.913,438 -0.024,439 -1,440 -1.438,442 -2.221,443 -0.976,444 0.004,445 -1.307,446 1.631,447 -0.469,448 -1.404,449 -1.925,451 -3.509,452 -1.287,453 -0.106,454 -1.376,455 1.294,456 -0.564,457 -1.522,458 -2.006,460 -4.372,461 -1.44,462 8.8,463 0.489,464 0.418,465 0.023,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.311,473 0.628,474 18.2,475 0.65,476 15.357,477 0.853,478 5.027,479 0.279,480 3.728,481 0.207,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.704,492 0.761,493 0.618,494 0.754,495 0.917,496 0.781,497 0.392,498 0.786,499 0.686,500 1.008,501 0.89,502 0.996,503 0.679,504 1.102,505 0.897,506 1.139,507 1.298,508 1.382,509 0.912,510 1.087,511 0.88,512 1.21,513 1.104,514 1.187,515 0.833,516 1.191,517 1.007,518 1.048,519 1.078,520 1.069,521 0.953,522 0.966,523 1.4,524 0.98,525 1.097,526 0.909,527 1.701,528 1.169,529 1.174,530 0.877,531 0.557,532 0.741,533 1.05,534 0.833,535 3,537 2,538 1.257,539 0.858,540 0.347,541 0.286,542 0.14,543 0.068,544 0.049,545 2720,546 9220,547 2.12,548 35.7,550 5,551 2,552 2,553 1,558 1.589,559 2,560 2.868,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.864,570 4.566,571 4.736,572 4.736,573 4.736,574 2.261,575 3.35,576 4.142,577 2.982,578 456.274,579 7.04,580 4210.2,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.15,590 0.071,591 0.05,592 0.036,593 0.018,594 0.017,595 0.014,596 0.011,597 0.012,598 0.38,599 0.67,600 1,601 0.816,602 75.182,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.094,608 0.04,609 0.104,610 0.316,611 -0.062,612 0.136,613 0.203,614 0.056,615 -0.039,616 -0.085,617 -0.016,618 -0.051,619 -0.022,620 -0.15,621 -0.001,622 -0.157,623 -0.041,624 -0.223,625 -0.021,626 -0.056,627 -0.064,628 -0.277,629 -0.116,630 -0.201,631 -0.034,632 -0.193,633 -0.076,634 -0.075,635 0.014,636 -0.036,637 -0.047,638 0.063,639 -0.077,640 -0.048,641 -0.259,642 -0.062,643 -0.315,644 -0.216,645 -0.006,646 0.028,647 0.291,648 0.079,649 0.139,650 0.246,651 2.541,652 4.096,653 0.778,654 11.432,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.664,663 3.951,664 4.043,665 4.143,666 4.22,667 4.304,668 4.159,669 4.078,670 4.447,671 0.706,672 258.32,673 3.045,674 4.575,675 5.434,676 6.319,677 7.198,678 8.09,679 8.977,680 9.873,681 10.764,682 11.661,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.944,872 1.514,874 2.984,875 1.46,876 0.996,877 2.878,878 9.474,879 3.384,880 4.034,881 4.684,882 5.332,883 5.725,884 6.123,885 6.518,886 6.934,887 6.993,888 7.252,889 0.8,890 25,891 6.618,893 2.852,894 7.926,895 12.448,897 10.273,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 45.125,917 117.684,918 19.891,919 24.288,920 90.133,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 43.983,942 64.69,944 84.614,945 105.94,946 86.513,947 106.774,949 0.58,950 0.344,951 0.194,952 0.092,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.067,960 132.341,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.072,971 1.841,972 84.614,973 12.849,974 4.004,977 1.476,978 1.491,979 1.967,980 42.683,981 299.227,982 28.5,987 11.096,991 -0.874,994 28.469,995 30.996,996 0.366,997 0.804,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.687,1004 5.416,1005 2.435,1006 4.043,1007 4.718,1008 1.736,1009 6.244,1010 3.944,1011 5.819,1012 0.618,1013 6.982,1014 1.704,1015 3.611,1016 4.543,1018 7.2,1019 3.507,1020 7.136,1021 -0.121,1022 8.654,1023 1.372,1024 5.638,1025 7.008,1026 2.269,1027 10.328,1028 5.466,1029 8.498,1030 -0.802,1031 10.391,1032 -0.313,1033 6.089,1034 7.762,1036 12.159,1037 5.9,1038 9.896,1039 -0.863,1040 12.17,1041 -2,1042 7.555,1043 9.632,1044 2.925,1045 14.797,1046 7.32,1047 11.321,1048 -1,1049 13.978,1050 -2.094,1051 8.395,1052 10.81,1054 16.968,1055 8.133,1056 12.766,1057 -1.404,1058 15.807,1059 -2.221,1060 9.654,1061 12.457,1062 3.619,1063 19.453,1064 9.356,1065 3.201,1066 -1.522,1067 17.651,1068 -3.509,1069 10.667,1070 13.827,1072 21.761,1073 10.338,1074 2.659,1075 11.148,1076 19.508,1077 -4.372,1078 11.85,1079 15.392,1080 4.33,1081 24.195,1082 11.489,1083 2.379,1084 8.395,1085 21.374,1086 4.601,1087 12.94,1088 16.848,1090 26.561,1091 12.546,1092 1.774,1093 6.898,1094 23.248,1095 3.53,1096 14.1,1097 18.384,1098 5.047,1099 28.978,1100 13.674,1101 1.546,1102 5.024,1103 25.127,1104 3.281,1105 15.225,1106 19.878,1108 31.369,1109 14.766,1110 1.185,1111 3.706,1112 27.012,1113 2.42,1114 16.379,1115 21.405,1116 5.769,1117 33.781,1118 15.887,1119 1,1120 2.637,1121 28.902,1122 2.317,1123 17.521,1124 22.916,1126 36.182,1127 16.995,1128 2671,1129 5004,1130 13.523,1131 20.614,1132 30.577,1133 30.814,1134 30.686,1135 30.056,1136 30.099,1137 42.373,1138 3.916,1139 86.637,1140 28.441,1141 5.421,1142 5.62,1143 6.405,1144 5.272,1145 5.201,1146 7.601,1147 2.873,1148 18.449,1149 5.092,1150 7.077,1151 1.529,1152 1.541,1153 1.534,1154 1.503,1155 1.505,1156 2.119,1157 0.196,1158 4.332,1159 1.422,1160 4.11,1161 4.122,1162 4.334,1163 4.122,1164 7.475,1165 4.076,1166 3.875,1167 3.931,1168 3.845,1169 3.679,1170 6.351,1171 3.705,1172 3.47,1173 3.481,1174 3.463,1175 3.37,1176 4.967,1177 3.355,1178 3.105,1179 3.149,1180 3.327,1181 3.032,1182 4.799,1183 2.986,1184 3.046,1185 3.047,1186 2.929,1187 2.792,1188 4.141,1189 2.816,1190 2.57,1191 2.647,1192 2.502,1193 2.424,1194 3.817,1195 2.397,1196 2.461,1197 2.56,1198 2.27,1199 2.287,1200 3.409,1201 2.264,1202 2.329,1203 2.405,1204 2.193,1205 2.149,1206 3.299,1207 2.148,1208 0.232,1209 0.181,1210 0.339,1211 0.208,1212 0.16,1213 4.644,1214 0.23,1215 3.62,1216 0.072,1217 6.789,1218 0.557,1219 4.168,1220 0.155,1221 3.201,1222 4.601,1223 1.437,1224 11.148,1225 3.092,1226 1.956,1227 1.942,1228 2.028,1229 2.022,1230 1.245,1231 2.031,1232 1.574,1233 1.551,1234 1.7,1235 1.764,1236 0.867,1237 1.747,1238 1.428,1239 1.395,1240 1.502,1241 1.586,1242 0.638,1243 1.575,1244 1.288,1245 1.219,1246 1.446,1247 1.524,1248 0.425,1249 1.51,1250 1.011,1251 1.011,1252 1.157,1253 1.155,1254 0.277,1255 1.177,1256 0.85,1257 0.794,1258 0.968,1259 1.001,1260 0.198,1261 1.059,1262 0.668,1263 0.655,1264 0.899,1265 0.955,1267 0.968,1268 0.351,1269 0.245,1270 0.75,1271 0.625,1273 0.684,1274 3.714,1276 5.03,1277 3.045,1278 6.535,1279 5.283,1280 8.134,1281 7.298,1282 9.787,1289 9.111,1290 0.705,1300 19.767,1301 49.281,1302 108.2,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 23.734,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.186,1313 4.087,1314 3.248,1315 25.659,1316 48,1317 40,1318 0.277,1319 125.511,1320 203.29,1321 298.007,1322 4755,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.754,1330 0.438,1331 0.316,1332 5.439,1333 7.988,1334 5.248,1335 4.337,1336 9.208,1337 6.316,1338 7.89,1339 0.282,1340 0.174,1341 8.414,1342 4.863,1343 6.618,1344 0.174,1345 0.103,1346 7.353,1347 3.895,1348 5.768,1349 0.113,1350 0.06,1351 6.713,1352 3.037,1353 4.013,1354 0.072,1355 0.033,1356 4.773,1357 1.875,1358 0.415,1359 59.332,1360 0.272,1361 17.801,1362 0.812,1363 96,1364 304.036,1365 126.235,1366 316.142,1367 425.08,1368 294,1369 114,1370 290.996,1371 143.227,1372 311.727,1373 454.37,1374 291,1375 7.469} {0 CHEMBL297385,1 1.399,2 21.813,3 7.059,4 49.827,5 184.894,6 6.925,7 0.353,8 4.616,9 4.722,10 4.095,11 4.135,12 5.704,13 4.103,14 5.169,15 5.327,16 4.401,17 4.513,18 6.279,19 4.443,20 5.48,21 5.7,22 4.446,23 4.663,24 6.41,25 4.562,26 5.528,27 5.751,28 4.444,29 4.688,30 6.473,31 4.579,32 5.548,33 5.773,34 4.478,35 4.745,36 6.451,37 4.628,38 5.625,39 5.861,40 4.465,41 4.772,42 6.535,43 4.64,44 5.622,45 5.872,46 4.385,47 4.727,48 6.484,49 4.58,50 5.533,51 5.781,52 4.361,53 4.65,54 6.404,55 4.516,56 0.06,57 1.216,58 21.122,59 9.851,60 21.123,61 12.436,62 0.523,63 1.967,64 39.001,65 16.126,66 87.603,67 21.159,68 0.6,69 2.498,70 55.871,71 20.999,72 100.949,73 28.304,74 0.828,75 2.588,76 59.214,77 21.772,78 116.254,79 29.342,80 0.568,81 2.719,82 59.305,83 22.884,84 97.388,85 31.201,86 0.769,87 2.898,88 64.868,89 24.17,90 120.544,91 33.382,92 0.932,93 2.83,94 65.481,95 23.864,96 117.114,97 33.292,98 0.582,99 2.602,100 59.328,101 22.15,102 89.579,103 30.772,104 50,105 65,106 0.206,107 0.521,108 0.731,109 0.878,110 0.911,111 0.914,112 3.894,113 0.993,114 -5.09,115 -4.99,116 -4.67,118 41.1,120 11,121 1,124 2,126 1,127 1,133 3,134 1,140 10,141 3,142 2,143 2,154 2,163 2,167 2,168 25,169 2,171 1,172 12,175 2,177 4,180 26,181 2,186 12,191 4,194 24,195 2,198 13,201 1,203 4,206 25,207 2,210 13,215 3,218 27,219 2,222 11,225 1,227 4,229 27,230 2,233 2,234 8,239 4,242 26,243 2,246 1,247 5,248 2,252 4,255 21,256 4,258 2,259 11,260 1,262 2,264 6,267 16,268 4,270 6002,271 32.691,272 32.691,273 32.691,274 32.691,275 32.691,276 29.605,277 26.047,278 20.457,279 33.024,280 25.263,281 25.263,282 25.263,283 25.263,284 25.263,285 20.799,286 23.31,287 9.84,288 25.825,289 5.17,290 3.033,291 1.605,292 0.605,293 0.379,294 0.358,295 4.59,300 1,301 2195,302 5.385,306 803.472,313 3.052,314 54.825,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 104.5,326 1047,327 4.38,328 3.597,329 6.671,330 4.088,331 3.118,332 3.968,333 2.341,334 10.746,335 3.019,336 4.322,337 3.596,338 6.5,339 4.013,340 3.016,341 3.853,342 2.341,343 10.18,344 3.008,345 3.909,346 3.521,347 5.708,348 3.528,349 2.555,350 3.471,351 1.465,352 7.609,353 2.481,354 3.726,355 3.051,356 5.414,357 3.477,358 2.522,359 2.922,360 0.86,361 7.106,362 2.412,363 3.558,364 2.972,365 5.251,366 3.264,367 2.264,368 2.835,369 0.811,370 6.613,371 2.255,372 3.552,373 2.835,374 5.134,375 3.24,376 2.235,377 2.719,379 6.126,380 2.222,381 3.535,382 2.515,383 4.659,384 3.224,385 2.222,386 2.71,388 5.184,389 2.208,390 3.311,391 2.213,392 4.659,393 3.096,394 2.13,395 2.341,397 5.183,398 2.048,399 3.09,400 2.157,401 4.542,402 2.733,403 1.75,404 2.233,406 4.438,407 1.717,408 3.061,409 1.969,410 4.158,411 2.681,412 1.699,413 2.173,415 3.877,416 1.667,417 2.868,418 1.939,419 3.833,420 2.643,421 1.654,422 2.015,424 3.498,425 1.63,426 2.803,427 1.802,428 3.774,429 2.468,430 1.487,431 1.854,433 3.189,434 1.453,435 2.757,436 1.544,437 3.636,438 2.441,439 1.467,440 1.797,442 3.119,443 1.424,444 2.713,445 1.534,446 3.632,447 2.391,448 1.414,449 1.715,451 3.032,452 1.374,453 2.5,454 1.441,455 3.574,456 2.086,457 1.125,458 1.5,460 2.552,461 1.074,462 22.567,463 0.47,464 0.856,465 0.018,466 53.25,467 1.109,468 24.5,469 0.51,470 28.75,471 0.599,472 53.136,473 1.107,474 54.233,475 0.571,476 46.771,477 0.974,478 10.33,479 0.215,480 13.072,481 0.272,482 0.074,484 0.244,487 0.84,488 1.205,489 0.882,490 1.155,491 0.774,492 1.046,493 0.78,494 1.202,495 1.01,496 1.198,497 0.489,498 1.152,499 1.034,500 0.998,501 0.99,502 0.996,503 0.869,504 0.988,505 1.094,506 0.961,507 1.046,508 0.968,509 0.823,510 0.995,511 0.883,512 1.055,513 1.002,514 1.053,515 0.691,516 1.051,517 0.876,518 1.051,519 1.041,520 1.055,521 0.721,522 1.073,523 0.841,524 0.972,525 1.013,526 0.989,527 0.675,528 1.025,529 0.8,530 1.036,531 0.946,532 1.053,533 0.676,534 1.031,535 7,536 0.277,537 4,538 2.25,539 1.729,540 1.104,541 0.785,542 0.509,543 0.513,544 0.375,545 51715,546 141888,547 2.042,548 49.5,549 14,550 18,551 1,552 2,553 3,554 4,555 2,556 3,558 1.838,559 1.946,560 4.33,561 0.623,567 132.94,568 1.399,569 3.537,570 4.965,571 5.964,572 6.191,573 6.212,574 3.754,575 5.054,576 5.556,577 4.583,578 5169.09,579 9.84,580 118093,585 624.136,586 1.217,587 5.532,588 0.137,589 0.005,590 0.062,591 0.034,592 0.026,593 0.016,594 0.012,595 0.008,596 0.009,597 0.006,598 0.315,599 0.17,600 0.75,601 1.602,602 297.351,603 -0.054,604 -0.014,605 0.022,606 0.011,607 -0.059,608 0.027,609 0.113,610 -0.098,611 -0.067,612 -0.112,613 0.166,614 -0.12,615 -0.088,616 0.007,617 -0.014,618 0.017,619 -0.069,620 0.015,621 -0.084,622 0.033,623 -0.058,624 0.036,625 -0.052,626 -0.001,627 -0.065,628 -0.041,629 -0.047,630 -0.029,631 -0.042,632 -0.035,633 -0.038,634 -0.048,635 -0.076,636 -0.053,637 -0.034,638 -0.068,639 0.003,640 0.007,641 -0.042,642 -0.003,643 -0.036,644 -0.026,645 0.001,646 -0.054,647 0.016,648 -0.056,649 -0.021,650 -0.023,651 2.483,652 4.527,653 0.5,654 85.668,655 1,656 1.123,657 3.863,658 14.924,659 0.644,660 3.951,661 4.19,662 4.382,663 4.595,664 4.812,665 4.836,666 4.949,667 5.037,668 5.069,669 5.063,670 12.561,671 0.609,672 657.87,673 3.951,674 5.451,675 6.256,676 7.091,677 7.92,678 8.766,679 9.609,680 10.463,681 11.315,682 12.174,683 1.1,693 1,699 12,700 1,704 5,706 18,721 1,722 1,724 95,726 22,727 2,728 51,730 98,731 39,733 17,734 4,735 8,736 2,739 4,740 4,748 1,749 1,751 12,753 23,754 16,755 1,756 4,761 2,763 3,765 3,772 47,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 48,845 3,846 13,848 3,850 3,862 8.4,864 3,865 2,866 2,867 1,869 24.667,870 16.133,871 10.972,872 6.013,874 2.816,875 1.336,876 0.911,877 15.839,878 11.193,879 4.174,880 4.63,881 5.055,882 5.523,883 6.007,884 6.09,885 6.418,886 6.665,887 6.846,888 6.998,889 1,890 67,891 17.848,893 7.423,894 7.84,895 34.177,897 27.628,899 2.34,900 112.333,904 517.928,905 198.516,906 16.786,908 211.34,911 198.516,912 729.268,913 16.786,915 37.065,916 123.551,917 242.487,918 47.08,919 11.771,920 482.615,922 517.928,923 215.301,924 211.34,927 459.073,928 248.195,929 22,930 0.36,931 55.159,932 114.568,933 45.214,935 517.928,936 228.125,937 198.516,940 518.288,941 56.87,942 141.286,944 228.125,945 517.928,946 228.125,947 198.516,949 0.556,950 0.302,951 0.162,952 0.091,953 23,954 11,955 0.204,956 20,958 1,959 5.859,960 452.764,962 24,963 261.323,968 37.021,969 20.536,970 12.971,972 228.125,973 22.798,974 4.269,978 3.818,980 128.05,981 944.569,982 64,987 21.615,989 6.012,991 -0.51,994 95.043,995 106.723,996 0.213,997 0.538,998 0.756,999 0.908,1000 0.942,1001 0.946,1002 5.378,1003 2.13,1004 6.184,1005 5.184,1006 4.875,1007 5.318,1008 3.227,1009 6.901,1010 4.831,1011 6.514,1012 1.75,1013 7.677,1014 5.183,1015 4.205,1016 4.808,1017 2.882,1018 7.662,1019 4.142,1020 7.764,1021 1.699,1022 9.278,1023 4.438,1024 6.361,1025 7.303,1026 4.448,1027 10.77,1028 6.278,1029 9.046,1030 1.654,1031 10.95,1032 3.877,1033 6.567,1034 7.644,1035 4.797,1036 12.477,1037 6.461,1038 10.364,1039 1.487,1040 12.671,1041 3.498,1042 8.134,1043 9.597,1044 5.949,1045 15.088,1046 8.011,1047 11.707,1048 1.467,1049 14.429,1050 3.189,1051 8.786,1052 10.372,1053 6.581,1054 17.18,1055 8.64,1056 13.071,1057 1.414,1058 16.214,1059 3.119,1060 10.091,1061 12.068,1062 7.564,1063 19.626,1064 9.928,1065 3.118,1066 1.125,1067 18.02,1068 3.032,1069 10.977,1070 13.086,1071 8.318,1072 21.873,1073 10.792,1074 3.016,1075 10.746,1076 19.842,1077 2.552,1078 12.166,1079 14.641,1080 9.228,1081 24.261,1082 11.964,1083 2.555,1084 10.18,1085 21.677,1086 3.968,1087 13.172,1088 15.8,1089 10.035,1090 26.572,1091 12.948,1092 2.522,1093 7.609,1094 23.521,1095 3.853,1096 14.314,1097 17.275,1098 10.912,1099 28.941,1100 14.072,1101 2.264,1102 7.106,1103 25.374,1104 3.471,1105 15.378,1106 18.517,1107 11.744,1108 31.278,1109 15.115,1110 2.235,1111 6.613,1112 27.233,1113 2.922,1114 16.504,1115 19.945,1116 12.606,1117 33.64,1118 16.221,1119 2.222,1120 6.126,1121 29.097,1122 2.835,1123 17.597,1124 21.236,1125 13.448,1126 35.989,1127 17.293,1128 50120,1129 83167,1130 34.265,1131 61.154,1132 73.822,1133 74.78,1134 74.481,1135 73.014,1136 72.974,1137 90.414,1138 15.636,1139 191.111,1140 71.25,1141 5.38,1142 5.597,1143 6.496,1144 5.16,1145 5.118,1146 6.968,1147 3.925,1148 17.818,1149 5.019,1150 23.946,1151 1.447,1152 1.466,1153 1.46,1154 1.432,1155 1.431,1156 1.773,1157 0.307,1158 3.747,1159 1.397,1160 4.028,1161 4.054,1162 3.966,1163 3.956,1164 7.477,1165 3.954,1166 3.962,1167 3.984,1168 3.902,1169 3.881,1170 7.472,1171 3.882,1172 3.809,1173 3.845,1174 3.741,1175 3.709,1176 6.469,1177 3.712,1178 3.782,1179 3.818,1180 3.681,1181 3.674,1182 6.352,1183 3.668,1184 3.727,1185 3.777,1186 3.602,1187 3.595,1188 6.35,1189 3.583,1190 3.719,1191 3.769,1192 3.591,1193 3.586,1194 4.937,1195 3.576,1196 3.623,1197 3.663,1198 3.495,1199 3.457,1200 4.826,1201 3.46,1202 3.471,1203 3.506,1204 3.369,1205 3.306,1206 4.805,1207 3.312,1208 0.086,1209 0.071,1210 0.131,1211 0.08,1212 0.061,1213 4.38,1214 0.078,1215 3.597,1216 0.046,1217 6.671,1218 0.211,1219 4.088,1220 0.059,1221 3.118,1222 3.968,1223 2.341,1224 10.746,1225 3.019,1226 1.973,1227 1.951,1228 2.076,1229 2.059,1230 1.383,1231 2.063,1232 1.935,1233 1.913,1234 2.063,1235 2.052,1236 1.331,1237 2.056,1238 1.792,1239 1.758,1240 1.991,1241 1.935,1242 1.325,1243 1.952,1244 1.77,1245 1.732,1246 1.949,1247 1.902,1248 1.15,1249 1.917,1250 1.73,1251 1.677,1252 1.945,1253 1.886,1254 1.142,1255 1.905,1256 1.716,1257 1.664,1258 1.893,1259 1.876,1260 1.02,1261 1.889,1262 1.588,1263 1.545,1264 1.808,1265 1.785,1266 0.999,1267 1.792,1268 1.43,1269 1.389,1270 1.679,1271 1.638,1272 0.933,1273 1.646,1274 4.635,1276 5.894,1278 7.338,1280 8.874,1282 10.468,1289 28.291,1290 8.244,1292 18.466,1294 -0.671,1300 57.856,1301 132.94,1302 336.048,1303 471.659,1304 566.627,1305 588.136,1306 590.136,1307 144.189,1308 8.377,1309 135.41,1310 135.41,1311 24,1312 12.728,1313 4.524,1314 3.807,1315 98.568,1316 375,1317 334,1318 0.125,1319 356.006,1320 648.12,1321 860.415,1322 66944,1324 33.978,1325 0.708,1326 0.571,1327 33.978,1328 27.415,1329 23.402,1330 0.459,1331 0.331,1332 16.685,1333 22.587,1334 16.406,1335 13.575,1336 23.402,1337 16.877,1338 19.927,1339 0.307,1340 0.185,1341 19.927,1342 11.999,1343 15.287,1344 0.194,1345 0.105,1346 15.287,1347 8.28,1348 12.274,1349 0.125,1350 0.058,1351 12.274,1352 5.728,1353 9.994,1354 0.082,1355 0.033,1356 9.994,1357 4.006,1358 0.209,1359 146.431,1360 0.171,1361 43.153,1362 0.309,1363 232,1364 708.772,1365 255.862,1366 666.14,1367 878.84,1368 622,1369 260,1370 606.931,1371 280.435,1372 607.175,1373 878.67,1374 573,1375 8} {0 CHEMBL297434,1 1.563,2 8.063,3 2.025,4 4.1,5 60.037,6 7.276,7 0.588,8 3.495,9 3.612,10 3.03,11 3.004,12 4.636,13 2.987,14 4.007,15 4.183,16 3.326,17 3.377,18 5.197,19 3.321,20 4.241,21 4.47,22 3.169,23 3.448,24 5.202,25 3.328,26 4.219,27 4.486,28 2.97,29 3.316,30 5.11,31 3.17,32 4.028,33 4.296,34 2.754,35 3.103,36 4.916,37 2.955,38 3.872,39 4.125,40 2.669,41 2.957,42 4.849,43 2.833,44 3.709,45 3.971,46 2.661,47 2.778,48 4.783,49 2.687,50 3.519,51 3.733,52 2.53,53 2.512,54 4.825,55 2.463,56 0.033,57 0.432,58 6.284,59 2.685,60 7.844,61 3.561,62 0.198,63 0.679,64 11.463,65 4.412,66 33.954,67 6.141,68 0.192,69 0.753,70 15.715,71 5.781,72 35.314,73 8.132,74 0.219,75 0.702,76 16.065,77 5.356,78 35.451,79 7.86,80 0.189,81 0.56,82 13.375,83 4.473,84 31.834,85 6.49,86 0.177,87 0.486,88 11.329,89 3.619,90 27.996,91 5.213,92 0.101,93 0.413,94 9.524,95 2.995,96 16.317,97 4.449,98 0.233,99 0.314,100 8.071,101 2.217,102 26.488,103 3.07,104 10,105 22,106 0.3,107 0.676,108 0.814,109 0.865,110 0.891,111 0.891,112 2.85,113 0.949,114 -2.88,115 -2.89,116 -2.79,118 40,120 4,140 2,141 1,143 1,149 1,150 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 3,175 1,177 1,180 5,181 1,186 4,191 1,194 4,195 1,198 4,203 1,206 3,207 1,210 3,215 1,218 2,219 1,222 3,227 1,229 1,230 1,234 2,235 1,239 1,243 1,246 1,247 2,250 1,252 1,260 1,270 276,271 10.776,272 10.776,273 10.776,274 10.776,275 10.776,276 9.432,277 6.78,278 6.645,279 10.942,280 8.421,281 8.421,282 8.421,283 8.421,284 8.421,285 6.396,286 3.363,287 3.194,288 8.694,289 3.344,290 1.387,291 0.667,292 0.4,293 0.267,294 0.267,295 3.505,299 1,300 1,301 270,302 2.915,305 36.518,306 40.355,309 63.894,313 1.32,314 14.074,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35,326 129,327 4.424,328 3.596,329 6.193,330 3.886,331 2.94,332 4.365,333 2.341,334 9.255,335 2.786,336 3.653,337 2.982,338 5.259,339 3.312,340 2.322,341 3.056,343 6.687,344 2.29,345 3.545,346 2.5,347 4.657,348 3.209,349 2.207,350 2.709,352 5.177,353 2.189,354 3.034,355 1.564,356 4.367,357 2.491,358 1.534,359 2.301,361 4.215,362 1.464,363 2.631,364 1.534,365 3.543,366 2.391,367 1.395,368 1.678,370 2.905,371 1.383,372 2.459,373 1.141,374 3.407,375 2.007,376 1.09,377 1.438,379 2.404,380 0.997,381 1.956,382 0.838,383 3.039,384 1.529,385 0.545,386 0.731,388 1.255,389 0.534,390 1.506,391 0.516,392 2.727,393 1.26,394 0.277,395 0.333,397 0.63,398 0.271,399 0.84,400 0.288,401 2.262,402 0.496,403 -0.481,404 -0.564,406 -1.184,407 -0.462,408 0.599,409 -0.177,410 1.924,411 0.118,412 -0.87,413 -1.119,415 -2,416 -0.844,417 0.481,418 -0.756,419 1.556,420 0.019,421 -1,422 -1.339,424 -2.244,425 -0.929,426 0.2,427 -0.912,428 1.481,429 -0.069,430 -1,431 -1.436,433 -2.512,434 -1.018,435 -0.105,436 -1.252,437 1.037,438 -0.553,439 -1.536,440 -1.838,442 -3.913,443 -1.489,444 -0.329,445 -1.605,446 1,447 -0.672,448 -1.609,449 -2.062,451 -4.372,452 -1.527,453 -0.5,454 -1.726,455 0.747,456 -0.876,457 -1.842,458 -2.409,460 -4.868,461 -1.761,462 7.467,463 0.467,464 0.332,465 0.021,466 19.75,467 1.234,468 9.5,469 0.594,470 10.25,471 0.641,472 10.495,473 0.656,474 17.733,475 0.591,476 11.211,477 0.701,478 3.821,479 0.239,480 3.933,481 0.246,482 0.089,484 0.254,487 0.802,488 1.425,489 0.815,490 1.148,491 0.687,492 1.011,493 0.513,494 1.125,495 0.904,496 1.091,497 0.365,498 1.062,499 0.849,500 1.062,501 1.041,502 1.082,503 0.875,504 1.103,505 0.83,506 0.934,507 1.015,508 0.973,509 0.788,510 1.017,511 0.894,512 0.903,513 1.002,514 0.961,515 0.914,516 0.999,517 1.099,518 0.931,519 1.102,520 0.968,521 1.081,522 1.023,523 0.834,524 1.006,525 0.834,526 1.001,527 0.677,528 0.916,529 1.533,530 0.896,531 1.151,532 0.941,533 1.868,534 0.983,535 3,536 0.04,537 1.333,538 0.632,539 0.488,540 0.17,541 0.198,542 0.115,543 0.101,544 0.087,545 2154,546 6801,547 2.03,548 46.7,549 6,550 2,551 1,552 2,553 1,554 2,558 1.541,559 1.92,560 3.022,561 -0.229,563 1,564 1,565 1,567 46.884,568 1.563,569 3.52,570 4.24,571 4.507,572 4.64,573 4.64,574 2.483,575 3.875,576 3.97,577 3.174,578 380.869,579 6.638,580 3411.93,582 1,584 1,585 147.207,586 1.299,587 3.94,588 0.176,589 0.01,590 0.061,591 0.035,592 0.035,593 0.015,594 0.02,595 0.012,596 0.013,597 0.014,598 0.391,599 0.67,600 1,601 1.875,602 66.273,603 -0.072,604 -0.221,605 0.024,606 -0.047,607 -0.045,608 -0.008,609 0.192,610 0.011,611 -0.026,612 -0.059,613 0.233,614 -0.077,615 -0.091,616 -0.099,617 -0.118,618 -0.068,619 -0.096,620 -0.098,621 -0.078,622 -0.011,623 -0.06,624 -0.01,625 -0.075,626 -0.027,627 -0.076,628 -0.012,629 -0.034,630 0.004,631 -0.095,632 -0.005,633 -0.155,634 -0.004,635 -0.125,636 -0.02,637 -0.14,638 -0.058,639 0.013,640 -0.074,641 0.145,642 -0.066,643 0.117,644 0.055,645 0.068,646 0.025,647 -0.086,648 -0.055,649 -0.162,650 -0.102,651 2.384,652 3.338,653 0.563,654 11.281,655 1.005,656 1.13,657 1.649,658 2.72,659 0.65,660 2.89,661 3.135,662 3.296,663 3.497,664 3.584,665 3.584,666 3.638,667 3.611,668 3.296,669 3.258,670 5.012,671 0.621,672 218.28,673 2.89,674 4.369,675 5.165,676 5.999,677 6.819,678 7.662,679 8.495,680 9.343,681 10.184,682 11.036,683 6.7,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 30,726 11,728 17,730 31,731 12,733 7,739 2,740 3,751 4,753 8,754 4,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 16,845 1,846 4,862 6.7,864 1,865 1,869 8.333,870 5.183,871 3.611,872 1.853,874 2.13,875 1.363,876 0.93,877 3.446,878 7.999,879 3.178,880 3.744,881 4.275,882 4.867,883 5.297,884 5.574,885 5.895,886 6.162,887 5.523,888 5.601,889 1,890 18,891 5.88,893 2.411,894 7.938,895 11.196,897 8.929,899 2.438,900 39,901 0.002,904 153.024,905 62.044,906 18.072,908 67.828,911 62.044,912 220.853,913 18.072,915 10.138,916 28,917 117.684,918 13.519,919 13.915,920 117.711,922 153.024,923 80.116,924 67.828,927 153.024,928 67.828,931 29.091,932 34.24,933 16.786,935 153.024,936 85.9,937 62.044,940 153.024,941 16.378,942 46.952,944 84.614,945 153.024,946 85.9,947 62.044,949 0.562,950 0.296,951 0.152,952 0.075,953 10,954 4,955 0.161,956 5,957 1,958 1.222,959 2.977,960 98.231,961 0.222,962 9,963 64,968 10.993,969 5.015,970 2.99,971 1.078,972 84.614,973 9.727,974 4.047,978 1.218,980 42.683,981 300.968,982 23,987 10.338,991 -0.718,994 30.16,995 33.907,996 0.318,997 0.717,998 0.864,999 0.918,1000 0.946,1001 0.946,1002 4.35,1003 0.277,1004 5.106,1005 1.255,1006 3.807,1007 4.425,1008 2.258,1009 5.808,1010 3.743,1011 5.532,1012 -0.481,1013 6.592,1014 0.63,1015 3.219,1016 4.205,1017 2.243,1018 6.503,1019 3.115,1020 6.814,1021 -0.87,1022 8.177,1023 -1.184,1024 5.283,1025 6.639,1026 3.628,1027 9.545,1028 5.146,1029 8.136,1030 -1,1031 9.823,1032 -2,1033 5.525,1034 7.315,1035 4.112,1036 11.124,1037 5.322,1038 9.493,1039 -1,1040 11.51,1041 -2.244,1042 7.036,1043 9.2,1044 5.201,1045 13.65,1046 6.806,1047 10.875,1048 -1.536,1049 13.226,1050 -2.512,1051 7.689,1052 10.3,1053 5.889,1054 15.599,1055 7.378,1056 12.276,1057 -1.609,1058 14.965,1059 -3.913,1060 8.954,1061 11.956,1062 6.849,1063 17.94,1064 8.613,1065 2.94,1066 -1.842,1067 16.721,1068 -4.372,1069 9.818,1070 13.259,1071 7.625,1072 20.046,1073 9.394,1074 2.322,1075 9.255,1076 18.49,1077 -4.868,1078 10.973,1079 14.813,1080 8.526,1081 22.317,1082 10.51,1083 2.207,1084 6.687,1085 20.269,1086 4.365,1087 11.944,1088 16.21,1089 9.342,1090 24.49,1091 11.402,1092 1.534,1093 5.177,1094 22.056,1095 3.056,1096 13.05,1097 17.719,1098 10.216,1099 26.734,1100 12.463,1101 1.395,1102 4.215,1103 23.85,1104 2.709,1105 14.075,1106 19.158,1107 11.051,1108 28.935,1109 13.416,1110 1.09,1111 2.905,1112 25.649,1113 2.301,1114 15.162,1115 20.648,1116 11.912,1117 31.168,1118 14.452,1119 0.545,1120 2.404,1121 27.453,1122 1.678,1123 16.213,1124 22.105,1125 12.755,1126 33.382,1127 15.437,1128 2202,1129 3966,1130 11.326,1131 19.489,1132 24.768,1133 25.024,1134 24.97,1135 24.641,1136 24.624,1137 33.222,1138 4.682,1139 65.058,1140 23.827,1141 5.309,1142 5.596,1143 5.883,1144 4.927,1145 4.94,1146 7.365,1147 3.925,1148 15.526,1149 4.748,1150 6.975,1151 1.457,1152 1.472,1153 1.469,1154 1.449,1155 1.448,1156 1.954,1157 0.275,1158 3.827,1159 1.402,1160 4.113,1161 4.163,1162 4.073,1163 3.972,1164 7.474,1165 3.99,1166 3.725,1167 3.775,1168 3.602,1169 3.576,1170 6.351,1171 3.572,1172 3.46,1173 3.497,1174 3.373,1175 3.287,1176 5.057,1177 3.299,1178 3.181,1179 3.228,1180 3.056,1181 2.97,1182 4.373,1183 2.983,1184 2.95,1185 3.011,1186 2.82,1187 2.785,1188 3.982,1189 2.788,1190 2.72,1191 2.802,1192 2.502,1193 2.415,1194 3.754,1195 2.429,1196 2.326,1197 2.447,1198 2.115,1199 2.052,1200 3.439,1201 2.038,1202 2.252,1203 2.362,1204 1.976,1205 1.992,1206 3.1,1207 1.99,1208 0.26,1209 0.212,1210 0.364,1211 0.229,1212 0.173,1213 4.424,1214 0.257,1215 3.596,1216 0.138,1217 6.193,1218 0.544,1219 3.886,1220 0.164,1221 2.94,1222 4.365,1223 2.341,1224 9.255,1225 2.786,1226 1.949,1227 1.912,1228 2.068,1229 2.083,1230 1.34,1231 2.078,1232 1.677,1233 1.626,1234 1.892,1235 1.862,1236 1.105,1237 1.874,1238 1.353,1239 1.303,1240 1.552,1241 1.568,1242 0.775,1243 1.554,1244 1.279,1245 1.217,1246 1.469,1247 1.547,1248 0.428,1249 1.532,1250 0.947,1251 0.899,1252 1.181,1253 1.203,1254 0.317,1255 1.194,1256 0.745,1257 0.673,1258 1.064,1259 1.024,1260 0.125,1261 1.043,1262 0.532,1263 0.454,1264 0.896,1265 0.838,1267 0.87,1268 0.236,1269 0.103,1270 0.758,1271 0.644,1273 0.702,1274 3.555,1276 4.812,1277 2.398,1278 6.244,1279 4.595,1280 7.768,1281 6.581,1282 9.347,1289 8.512,1290 2.818,1300 18.633,1301 46.884,1302 105.597,1303 127.207,1304 135.207,1305 139.207,1306 139.207,1307 22.565,1308 5.869,1309 54.6,1310 54.6,1311 11,1312 11.595,1313 3.585,1314 2.807,1315 26.305,1316 47,1317 44,1318 0.275,1319 118.036,1320 196.02,1321 279.767,1322 2230,1324 11.38,1325 0.711,1326 0.56,1327 11.38,1328 8.965,1329 7.754,1330 0.456,1331 0.316,1332 5.308,1333 7.44,1334 5.214,1335 4.338,1336 7.754,1337 5.379,1338 6.808,1339 0.309,1340 0.176,1341 6.808,1342 3.864,1343 5.042,1344 0.194,1345 0.099,1346 5.042,1347 2.575,1348 4.048,1349 0.126,1350 0.054,1351 4.048,1352 1.719,1353 2.915,1354 0.083,1355 0.031,1356 2.915,1357 1.089,1358 0.436,1359 48.754,1360 0.297,1361 16.664,1362 0.729,1363 78,1364 247.175,1365 86.286,1366 237.867,1367 313.46,1368 220,1369 87,1370 221.3,1371 94.348,1372 223.734,1373 318.21,1374 209,1375 5.481} {0 CHEMBL297561,1 1.689,2 14.483,3 4.731,4 22.378,5 114.041,6 7.84,7 0.4,8 4.085,9 4.189,10 3.814,11 3.667,12 5.133,13 3.599,14 4.643,15 4.808,16 4.065,17 4.041,18 5.923,19 3.934,20 4.941,21 5.166,22 4.069,23 4.177,24 5.954,25 4.025,26 4.971,27 5.202,28 3.929,29 4.116,30 6.014,31 3.963,32 4.939,33 5.188,34 3.903,35 4.059,36 5.903,37 3.898,38 4.892,39 5.146,40 3.914,41 4.005,42 5.931,43 3.848,44 4.814,45 5.078,46 3.793,47 3.965,48 5.73,49 3.793,50 4.755,51 4.993,52 3.819,53 3.928,54 5.793,55 3.786,56 0.109,57 0.778,58 14.311,59 5.854,60 22.251,61 7.151,62 0.428,63 1.225,64 24.334,65 9.907,66 82.159,67 12.612,68 0.423,69 1.5,70 40.613,71 13.763,72 79.268,73 17.212,74 0.548,75 1.503,76 41.309,77 13.266,78 100.437,79 16.719,80 0.533,81 1.447,82 40.361,83 12.605,84 97.369,85 16.291,86 0.618,87 1.366,88 36.404,89 11.637,90 100.732,91 15.708,92 0.407,93 1.309,94 33.933,95 11.362,96 64.703,97 15.038,98 0.415,99 1.217,100 35.269,101 10.932,102 72.269,103 13.863,104 33,105 39,106 0.279,107 0.581,108 0.735,109 0.837,110 0.866,111 0.878,112 3.407,113 1.163,114 -3.96,115 -3.92,116 -3.71,118 37.5,120 8,124 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 3,175 3,177 2,180 14,181 1,186 7,191 4,194 13,195 1,198 9,203 4,206 7,207 1,210 5,215 3,218 8,219 1,222 6,227 3,229 9,230 1,234 6,237 1,239 2,242 8,243 1,247 4,252 2,255 10,256 1,258 2,259 3,260 1,264 2,267 8,268 2,270 1628,271 19.112,272 19.112,273 19.112,274 19.112,275 19.112,276 17.114,277 14.908,278 11.787,279 19.489,280 14.816,281 14.816,282 14.816,283 14.816,284 14.816,285 11.78,286 7.845,287 5.62,288 15.485,289 4.118,290 2.298,291 1.363,292 0.75,293 0.571,294 0.5,295 4.073,297 1,299 1,300 1,301 853,302 4.583,306 229.999,313 2.397,314 39.548,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63.333,326 420,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 4.196,337 3.596,338 6.137,339 3.84,340 2.845,341 3.802,343 9.033,344 2.832,345 3.835,346 3.067,347 5.149,348 3.313,349 2.401,350 3.393,352 6.32,353 2.223,354 3.55,355 2.898,356 4.733,357 3.241,358 2.235,359 2.71,361 5.184,362 2.159,363 3.087,364 2.082,365 4.659,366 2.84,367 1.846,368 2.293,370 4.779,371 1.833,372 2.996,373 1.912,374 4.458,375 2.665,376 1.704,377 2.119,379 4.533,380 1.629,381 2.941,382 1.736,383 3.75,384 2.548,385 1.587,386 2.111,388 3.42,389 1.47,390 2.697,391 1.556,392 3.643,393 2.429,394 1.464,395 1.703,397 3.102,398 1.399,399 2.5,400 1.401,401 3.568,402 2.228,403 1.27,404 1.5,406 2.79,407 1.208,408 2.482,409 1.184,410 3.414,411 2,412 1,413 1.469,415 2.275,416 1,417 2.136,418 1,419 3.158,420 1.998,421 1,422 1.094,424 2.082,425 0.994,426 1.657,427 0.766,428 3.109,429 1.457,430 0.491,431 0.552,433 1.092,434 0.471,435 1.396,436 0.682,437 2.683,438 1.264,439 0.275,440 0.295,442 0.591,443 0.27,444 1.12,445 0.501,446 2.563,447 0.752,448 -0.197,449 -0.23,451 -0.438,452 -0.138,453 1,454 0.315,455 2.31,456 0.589,457 -0.262,458 -0.313,460 -0.582,461 -0.24,462 14.181,463 0.489,464 0.704,465 0.024,466 33.5,467 1.155,468 16.5,469 0.569,470 17,471 0.586,472 27.164,473 0.937,474 33.219,475 0.593,476 24.439,477 0.843,478 6.043,479 0.208,480 7.838,481 0.27,482 0.144,483 0.059,484 0.176,487 0.585,488 1.33,489 0.765,490 1.207,491 0.665,492 1.023,493 0.472,494 1.182,495 0.808,496 1.061,497 0.43,498 1.098,499 0.855,500 1.065,501 1.017,502 1.069,503 0.808,504 1.012,505 1.082,506 1.066,507 1.05,508 1.063,509 1.085,510 1.067,511 0.952,512 1.017,513 0.758,514 0.902,515 1.022,516 0.998,517 0.706,518 0.985,519 0.711,520 0.886,521 0.744,522 0.986,523 0.699,524 0.888,525 0.783,526 0.866,527 0.626,528 0.922,529 0.937,530 0.978,531 1.023,532 1.042,533 0.9,534 0.937,535 6,536 0.144,537 3.333,538 1.5,539 0.964,540 0.674,541 0.344,542 0.349,543 0.304,544 0.217,545 11726,546 39575,547 1.949,548 48.2,549 12,550 7,552 2,553 2,554 2,555 2,558 1.715,559 1.822,560 3.775,561 0.262,567 94.591,568 1.689,569 3.509,570 4.444,571 5.057,572 5.236,573 5.307,574 3.28,575 4.418,576 4.825,577 3.994,578 1621.73,579 8.38,580 24319.5,582 1,585 325.212,586 1.469,587 4.777,588 0.2,589 0.005,590 0.085,591 0.039,592 0.029,593 0.022,594 0.012,595 0.012,596 0.01,597 0.007,598 0.424,599 0.33,600 0.88,601 1.777,602 153.015,603 0.04,604 -0.067,605 0.132,606 -0.029,607 -0.086,608 0.029,609 0.259,610 -0.048,611 0.018,612 -0.043,613 0.282,614 -0.094,615 -0.057,616 -0.055,617 -0.026,618 -0.019,619 -0.015,620 0.004,621 -0.141,622 -0.074,623 -0.124,624 -0.077,625 -0.1,626 -0.089,627 -0.091,628 -0.045,629 0.029,630 0.015,631 -0.114,632 -0.031,633 0.099,634 -0.035,635 0.102,636 -0.005,637 0.039,638 -0.014,639 -0.001,640 0.097,641 0.068,642 0.076,643 0.006,644 0.067,645 -0.064,646 0.016,647 -0.019,648 -0.006,649 -0.025,650 0.063,651 4.45,652 5.291,653 0.414,654 35.403,655 1.007,656 1.127,657 2.733,658 7.471,659 0.665,660 3.434,661 3.689,662 3.807,663 3.912,664 4.043,665 3.989,666 3.912,667 3.892,668 3.951,669 3.989,670 8.4,671 0.621,672 439.02,673 3.434,674 4.934,675 5.72,676 6.553,677 7.361,678 8.199,679 9.017,680 9.86,681 10.684,682 11.53,683 3.6,685 1,693 1,699 7,700 1,704 4,706 12,723 1,724 56,726 15,727 1,728 30,730 57,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 8,753 12,754 9,756 3,760 1,761 3,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 29,844 1,845 1,846 9,847 1,861 1,862 7.1,864 1,865 3,869 15.917,870 9.543,871 6.569,872 3.545,874 2.229,875 1.326,876 0.929,877 9.755,878 9.062,879 3.689,880 4.22,881 4.585,882 4.985,883 5.419,884 5.417,885 5.386,886 5.196,887 5.365,888 5.579,889 0.9,890 38,891 10.957,893 4.723,894 8.03,895 20.461,897 16.533,899 2.53,900 73.361,903 1,904 294.278,905 105.998,906 33.191,907 39.149,908 112.141,910 5.807,911 100.19,912 445.567,913 33.191,915 22.382,916 69.594,917 153.379,918 29.517,920 270.735,921 39.149,922 294.278,923 133.381,924 112.141,925 44.956,927 270.735,928 135.683,931 56.882,932 59.714,933 61.742,935 294.278,936 145.332,937 145.146,939 5.807,940 294.278,941 34.714,942 65.476,943 16.405,944 168.075,945 294.278,946 145.332,947 145.146,949 0.566,950 0.301,951 0.144,952 0.076,953 14,954 7,955 0.228,956 13,958 1,959 4.19,960 218.244,962 12,963 134.881,967 1,968 23.499,969 12.039,970 8.629,972 145.332,973 11.688,974 4.198,978 3.049,980 59.088,981 584.756,982 39,986 -3.534,987 35.104,991 -0.744,994 56.4,995 63.096,996 0.291,997 0.604,998 0.765,999 0.871,1000 0.902,1001 0.914,1002 4.89,1003 1.464,1004 5.7,1005 3.42,1006 4.369,1007 4.905,1008 2.258,1009 6.46,1010 4.281,1011 6.088,1012 1.27,1013 7.239,1014 3.102,1015 4.007,1016 4.934,1017 2.243,1018 7.644,1019 3.783,1020 7.409,1021 1,1022 8.907,1023 2.79,1024 5.958,1025 7.144,1026 3.628,1027 10.618,1028 5.757,1029 8.78,1030 1,1031 10.664,1032 2.275,1033 6.463,1034 8.04,1035 4.112,1036 12.714,1037 6.104,1038 10.196,1039 0.491,1040 12.482,1041 2.082,1042 7.919,1043 9.801,1044 5.201,1045 15.328,1046 7.563,1047 11.644,1048 0.275,1049 14.344,1050 1.092,1051 8.819,1052 11.058,1053 5.889,1054 17.71,1055 8.312,1056 13.118,1057 -0.197,1058 16.238,1059 0.591,1060 10.098,1061 12.67,1062 6.849,1063 20.243,1064 9.558,1065 3.374,1066 -0.262,1067 18.155,1068 -0.438,1069 11.172,1070 14.082,1071 7.625,1072 22.712,1073 10.497,1074 2.845,1075 12.404,1076 20.088,1077 -0.582,1078 12.391,1079 15.642,1080 8.526,1081 25.228,1082 11.653,1083 2.401,1084 9.033,1085 22.033,1086 4.697,1087 13.54,1088 17.123,1089 9.342,1090 27.726,1091 12.68,1092 2.235,1093 6.32,1094 23.987,1095 3.802,1096 14.743,1097 18.667,1098 10.216,1099 30.24,1100 13.801,1101 1.846,1102 5.184,1103 25.948,1104 3.393,1105 15.924,1106 20.18,1107 11.051,1108 32.75,1109 14.869,1110 1.704,1111 4.779,1112 27.914,1113 2.71,1114 17.127,1115 21.721,1116 11.912,1117 35.265,1118 15.977,1119 1.587,1120 4.533,1121 29.884,1122 2.293,1123 18.323,1124 23.249,1125 12.755,1126 37.779,1127 17.063,1128 11834,1129 21964,1130 19.356,1131 37.233,1132 42.834,1133 44.603,1134 43.91,1135 43.267,1136 42.984,1137 55.477,1138 4.682,1139 115.205,1140 41.099,1141 5.785,1142 6.683,1143 7.12,1144 5.337,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.596,1151 1.428,1152 1.487,1153 1.464,1154 1.442,1155 1.433,1156 1.849,1157 0.156,1158 3.84,1159 1.37,1160 4.077,1161 4.062,1162 4.735,1163 4.064,1164 7.717,1165 3.977,1166 3.942,1167 3.973,1168 3.925,1169 3.862,1170 7.474,1171 3.857,1172 3.746,1173 3.799,1174 3.878,1175 3.615,1176 6.999,1177 3.599,1178 3.669,1179 3.695,1180 3.61,1181 3.58,1182 6.351,1183 3.525,1184 3.508,1185 3.547,1186 3.382,1187 3.351,1188 4.93,1189 3.334,1190 3.425,1191 3.453,1192 3.322,1193 3.271,1194 4.876,1195 3.253,1196 3.175,1197 3.226,1198 3.153,1199 2.963,1200 4.271,1201 2.968,1202 2.916,1203 2.998,1204 3.016,1205 2.735,1206 4.156,1207 2.715,1208 0.161,1209 0.156,1210 0.243,1211 0.143,1212 0.112,1213 4.844,1214 0.157,1215 4.683,1216 0.078,1217 7.293,1218 0.413,1219 4.291,1220 0.102,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.958,1227 1.966,1228 2.077,1229 2.049,1230 1.398,1231 2.076,1232 1.92,1233 1.888,1234 1.978,1235 2.005,1236 1.293,1237 2.036,1238 1.744,1239 1.689,1240 1.95,1241 1.908,1242 1.163,1243 1.932,1244 1.593,1245 1.56,1246 1.809,1247 1.777,1248 1.094,1249 1.799,1250 1.465,1251 1.424,1252 1.695,1253 1.676,1254 0.889,1255 1.686,1256 1.338,1257 1.33,1258 1.42,1259 1.502,1260 0.653,1261 1.546,1262 1.128,1263 1.075,1264 1.321,1265 1.392,1266 0.556,1267 1.395,1268 0.889,1269 0.821,1270 1.181,1271 1.134,1272 0.359,1273 1.17,1274 4.111,1276 5.38,1278 6.83,1280 8.368,1282 9.954,1285 5.801,1289 8.657,1290 6.516,1291 2.625,1300 34.765,1301 94.591,1302 196.528,1303 248.873,1304 283.212,1305 293.212,1306 297.212,1307 94.341,1308 6.833,1309 96.36,1310 104.74,1311 12,1312 12.096,1313 4,1314 3.322,1315 65.936,1316 144,1317 151,1318 0.214,1319 225.968,1320 397.74,1321 543.123,1322 9241,1323 1.8,1324 21.115,1325 0.728,1326 0.617,1327 21.865,1328 17.883,1329 13.882,1330 0.463,1331 0.388,1332 9.838,1333 12.385,1334 9.491,1335 7.887,1336 14.992,1337 11.632,1338 12.381,1339 0.317,1340 0.234,1341 14.113,1342 9.111,1343 8.94,1344 0.203,1345 0.145,1346 10.336,1347 6.359,1348 6.59,1349 0.134,1350 0.087,1351 7.623,1352 4.253,1353 5.005,1354 0.089,1355 0.054,1356 5.958,1357 3.032,1358 0.352,1359 97.759,1360 0.227,1361 28.62,1362 0.545,1363 138,1364 448.398,1365 201.911,1366 480.337,1367 615.58,1368 438,1369 152,1370 375.182,1371 214.974,1372 424.554,1373 604.85,1374 397,1375 7.824} {0 CHEMBL297608,1 1.493,2 8.389,3 2.612,4 6.822,5 68.904,6 6.843,7 0.526,8 3.656,9 3.781,10 3.137,11 3.165,12 4.736,13 3.131,14 4.194,15 4.385,16 3.457,17 3.529,18 5.303,19 3.458,20 4.442,21 4.69,22 3.38,23 3.632,24 5.352,25 3.525,26 4.446,27 4.693,28 3.283,29 3.635,30 5.317,31 3.49,32 4.408,33 4.672,34 3.026,35 3.511,36 5.247,37 3.33,38 4.325,39 4.622,40 2.865,41 3.337,42 5.119,43 3.147,44 4.093,45 4.374,46 2.761,47 3.133,48 4.973,49 2.976,50 3.894,51 4.166,52 2.768,53 2.971,54 4.886,55 2.836,56 0.023,57 0.509,58 8.084,59 3.354,60 6.433,61 4.625,62 0.176,63 0.809,64 14.636,65 5.455,66 33.709,67 7.923,68 0.255,69 0.935,70 19.756,71 6.367,72 34.714,73 9.503,74 0.174,75 0.923,76 19.519,77 7.115,78 29.613,79 10.373,80 0.192,81 0.846,82 19.053,83 6.685,84 33.239,85 9.858,86 0.201,87 0.729,88 17.928,89 5.993,90 33.614,91 8.988,92 0.175,93 0.585,94 14.184,95 4.582,96 27.394,97 6.832,98 0.179,99 0.487,100 11.466,101 3.867,102 18.215,103 5.775,104 16,105 25,106 0.275,107 0.607,108 0.773,109 0.857,110 0.877,111 0.877,112 2.959,113 0.998,114 -3.41,115 -3.4,116 -3.25,118 38.9,119 1,120 5,140 3,143 1,150 2,154 1,157 1,163 1,167 1,168 6,169 1,171 1,172 6,175 1,177 1,180 5,181 1,186 4,191 1,194 4,195 1,198 5,203 1,206 7,207 1,210 3,215 1,218 5,219 1,222 3,227 1,229 4,234 1,235 1,242 3,243 1,246 1,247 2,250 1,252 1,255 2,256 1,259 1,260 1,264 1,268 2,270 400,271 12.035,272 12.035,273 12.035,274 12.035,275 12.035,276 10.626,277 9.206,278 7.377,279 12.213,280 9.388,281 9.388,282 9.388,283 9.388,284 9.388,285 7.274,286 6.304,287 3.507,288 9.689,289 3.677,290 1.878,291 0.973,292 0.521,293 0.41,294 0.41,295 3.616,299 1,300 1,301 314,302 3.162,305 37.687,306 48.225,309 72.13,313 1.346,314 15.301,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 151,327 4.614,328 3.596,329 6.766,330 4.098,331 3.162,332 4.58,333 2.341,334 11.039,335 2.959,336 3.552,337 3.251,338 5.217,339 3.246,340 2.243,341 2.889,343 6.3,344 2.227,345 3.517,346 2.394,347 4.93,348 3.143,349 2.165,350 2.71,352 5.356,353 2.112,354 3.342,355 2.03,356 4.659,357 2.877,358 1.909,359 2.702,361 5.182,362 1.844,363 2.688,364 1.679,365 3.891,366 2.559,367 1.562,368 1.736,370 3.245,371 1.552,372 2.622,373 1.25,374 3.65,375 2.155,376 1.181,377 1.641,379 2.804,380 1.148,381 2.276,382 1.099,383 3.352,384 1.882,385 0.925,386 1.196,388 2.148,389 0.88,390 1.848,391 0.837,392 2.927,393 1.617,394 0.641,395 0.75,397 1.393,398 0.623,399 1.155,400 0.508,401 2.394,402 0.948,403 -0.051,404 -0.056,406 -0.114,407 -0.05,408 0.789,409 0.165,410 2.224,411 0.414,412 -0.568,413 -0.673,415 -1.353,416 -0.554,417 0.715,418 -0.28,419 2,420 0.388,421 -0.6,422 -0.768,424 -1.399,425 -0.587,426 0.419,427 -0.415,428 1.846,429 0.007,430 -1,431 -1.219,433 -2,434 -0.956,435 0.189,436 -0.925,437 1.491,438 -0.145,439 -1.118,440 -1.467,442 -2.659,443 -1.118,444 -0.039,445 -1.128,446 1.378,447 -0.282,448 -1.238,449 -1.698,451 -3.195,452 -1.19,453 -0.294,454 -1.383,455 1,456 -0.668,457 -1.653,458 -1.893,460 -4.083,461 -1.59,462 8.467,463 0.47,464 0.404,465 0.022,466 20.75,467 1.153,468 9.5,469 0.528,470 11.25,471 0.625,472 14.232,473 0.791,474 20.333,475 0.565,476 12.139,477 0.674,478 3.921,479 0.218,480 4.76,481 0.264,482 0.138,484 0.283,487 0.795,488 1.437,489 0.878,490 1.196,491 0.698,492 1.073,493 0.451,494 1.331,495 0.853,496 1.177,497 0.34,498 1.09,499 1.069,500 0.848,501 1.044,502 0.821,503 0.885,504 0.897,505 0.772,506 1.083,507 1.047,508 1.102,509 0.728,510 1.116,511 0.83,512 1.064,513 1.16,514 1.157,515 0.807,516 1.201,517 0.802,518 0.876,519 0.949,520 0.929,521 0.809,522 0.958,523 1.006,524 0.879,525 0.993,526 0.903,527 0.992,528 0.938,529 0.502,530 0.926,531 0.796,532 0.991,533 0.65,534 0.948,535 3,536 0.065,537 1.778,538 1.285,539 0.573,540 0.344,541 0.157,542 0.147,543 0.113,544 0.14,545 2828,546 8169,547 1.994,548 50,549 6,550 3,552 1,553 1,554 7,558 1.581,559 1.862,560 3.013,561 -0.28,563 1,564 1,565 1,567 53.756,568 1.493,569 3.292,570 4.197,571 4.649,572 4.76,573 4.76,574 2.377,575 3.837,576 4.138,577 3.225,578 493.444,579 6.996,580 4862.18,581 1,582 1,584 1,585 186.117,586 1.415,587 4.096,588 0.158,589 0.008,590 0.071,591 0.056,592 0.029,593 0.025,594 0.013,595 0.013,596 0.01,597 0.014,598 0.397,599 0.67,600 1,601 2.052,602 77.849,603 -0.052,604 -0.194,605 0.027,606 -0.042,607 -0.044,608 -0.008,609 0.256,610 -0.196,611 0.07,612 -0.119,613 0.255,614 -0.069,615 -0.179,616 0.196,617 -0.079,618 0.142,619 -0.101,620 0.067,621 -0.071,622 -0.088,623 -0.119,624 -0.088,625 -0.06,626 -0.109,627 -0.099,628 -0.105,629 -0.225,630 -0.175,631 -0.105,632 -0.212,633 -0.038,634 0.005,635 0.006,636 0.017,637 -0.06,638 0.019,639 -0.094,640 0.03,641 -0.02,642 0.037,643 -0.087,644 0.024,645 0.312,646 0.007,647 0.164,648 -0.033,649 0.131,650 0.029,651 2.373,652 3.405,653 0.5,654 13.025,655 0.998,656 1.132,657 2.184,658 4.772,659 0.639,660 2.996,661 3.258,662 3.466,663 3.714,664 3.784,665 3.738,666 3.761,667 3.784,668 3.584,669 3.466,670 5.29,671 0.602,672 246.34,673 2.996,674 4.489,675 5.303,676 6.159,677 7.002,678 7.871,679 8.728,680 9.604,681 10.471,682 11.352,683 5.6,691 1,693 1,698 1,699 4,700 1,704 2,706 10,724 36,726 11,728 19,730 37,731 14,733 7,739 2,740 3,745 1,751 5,753 8,754 6,756 1,761 1,765 1,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,836 1,840 18,845 1,846 5,862 5.6,864 1,865 1,869 9.667,870 6.6,871 4.083,872 2.331,874 2.153,875 1.352,876 0.925,877 4.238,878 8.266,879 3.258,880 3.834,881 4.405,882 5.026,883 5.433,884 5.67,885 5.984,886 6.27,887 5.915,888 5.72,889 1,890 23,891 6.639,893 2.705,894 7.843,895 12.787,897 10.23,899 2.343,900 42.167,901 0.001,904 200.109,905 67.113,906 18.072,908 67.828,911 67.113,912 267.937,913 18.072,914 8.825,915 12.673,916 28.429,917 99.623,918 10.334,919 4.901,920 188.338,922 200.109,923 85.185,924 67.828,927 200.109,928 67.828,931 34.16,932 34.24,933 16.786,935 200.109,936 85.9,937 67.113,940 200.109,941 20.811,942 47.588,944 84.614,945 200.109,946 85.9,947 67.113,949 0.564,950 0.31,951 0.169,952 0.083,953 11,954 5,955 0.162,956 6,957 1,958 1.222,959 3.105,960 118.163,961 0.222,962 9,963 75.059,968 12.938,969 5.897,970 3.259,971 1.121,972 84.614,973 8.082,974 4.309,978 2.254,980 42.683,981 353.122,982 25,987 10.405,991 -0.706,994 35.927,995 40.737,996 0.289,997 0.637,998 0.812,999 0.899,1000 0.921,1001 0.921,1002 4.449,1003 0.641,1004 5.263,1005 2.148,1006 3.932,1007 4.516,1008 2.258,1009 6.033,1010 3.863,1011 5.641,1012 -0.051,1013 6.792,1014 1.393,1015 3.434,1016 4.388,1017 2.243,1018 6.94,1019 3.288,1020 6.94,1021 -0.568,1022 8.434,1023 -0.114,1024 5.46,1025 6.768,1026 3.628,1027 10.064,1028 5.292,1029 8.284,1030 -0.6,1031 10.148,1032 -1.353,1033 5.832,1034 7.562,1035 4.112,1036 11.922,1037 5.551,1038 9.67,1039 -1,1040 11.912,1041 -1.399,1042 7.323,1043 9.418,1044 5.201,1045 14.565,1046 7.021,1047 11.086,1048 -1.118,1049 13.713,1050 -2,1051 8.124,1052 10.634,1053 5.889,1054 16.778,1055 7.703,1056 12.527,1057 -1.238,1058 15.542,1059 -2.659,1060 9.401,1061 12.289,1062 6.849,1063 19.264,1064 8.944,1065 3.162,1066 -1.653,1067 17.392,1068 -3.195,1069 10.403,1070 13.687,1071 7.625,1072 21.6,1073 9.84,1074 2.243,1075 11.039,1076 19.257,1077 -4.083,1078 11.597,1079 15.262,1080 8.526,1081 24.032,1082 10.984,1083 2.165,1084 6.3,1085 21.134,1086 4.58,1087 12.687,1088 16.735,1089 9.342,1090 26.411,1091 11.982,1092 1.909,1093 5.356,1094 23.02,1095 2.889,1096 13.852,1097 18.278,1098 10.216,1099 28.824,1100 13.088,1101 1.562,1102 5.182,1103 24.913,1104 2.71,1105 14.977,1106 19.78,1107 11.051,1108 31.217,1109 14.133,1110 1.181,1111 3.245,1112 26.81,1113 2.702,1114 16.133,1115 21.311,1116 11.912,1117 33.623,1118 15.225,1119 0.925,1120 2.804,1121 28.711,1122 1.736,1123 17.273,1124 22.824,1125 12.755,1126 36.021,1127 16.291,1128 2917,1129 5017,1130 12.425,1131 23.012,1132 27.868,1133 28.267,1134 28.678,1135 27.573,1136 27.575,1137 36.407,1138 4.682,1139 74.933,1140 26.691,1141 5.524,1142 5.596,1143 6.538,1144 5.145,1145 5.162,1146 7.58,1147 3.925,1148 17.833,1149 4.93,1150 9.113,1151 1.467,1152 1.488,1153 1.509,1154 1.451,1155 1.451,1156 1.916,1157 0.246,1158 3.944,1159 1.405,1160 4.133,1161 4.181,1162 4.097,1163 3.991,1164 7.474,1165 4.011,1166 3.741,1167 3.794,1168 3.608,1169 3.601,1170 6.351,1171 3.591,1172 3.49,1173 3.536,1174 3.381,1175 3.325,1176 5.031,1177 3.329,1178 3.369,1179 3.424,1180 3.244,1181 3.213,1182 4.38,1183 3.211,1184 3.112,1185 3.166,1186 2.968,1187 2.934,1188 4.09,1189 2.934,1190 2.966,1191 3.051,1192 2.738,1193 2.746,1194 3.836,1195 2.737,1196 2.71,1197 2.791,1198 2.489,1199 2.449,1200 3.646,1201 2.452,1202 2.415,1203 2.53,1204 2.155,1205 2.115,1206 3.357,1207 2.104,1208 0.243,1209 0.189,1210 0.356,1211 0.216,1212 0.166,1213 4.614,1214 0.241,1215 3.596,1216 0.123,1217 6.766,1218 0.581,1219 4.098,1220 0.156,1221 3.162,1222 4.58,1223 2.341,1224 11.039,1225 2.959,1226 1.956,1227 1.917,1228 2.075,1229 2.095,1230 1.372,1231 2.088,1232 1.717,1233 1.665,1234 1.938,1235 1.889,1236 1.167,1237 1.909,1238 1.484,1239 1.425,1240 1.704,1241 1.684,1242 0.904,1243 1.691,1244 1.391,1245 1.336,1246 1.657,1247 1.622,1248 0.75,1249 1.627,1250 1.108,1251 1.055,1252 1.35,1253 1.323,1254 0.511,1255 1.333,1256 0.958,1257 0.9,1258 1.245,1259 1.223,1260 0.32,1261 1.233,1262 0.671,1263 0.585,1264 0.986,1265 1.004,1266 0.116,1267 1.01,1268 0.556,1269 0.457,1270 0.872,1271 0.891,1273 0.907,1274 3.664,1276 4.934,1277 2.398,1278 6.392,1279 4.727,1280 7.953,1281 6.823,1282 9.578,1284 2.001,1289 8.567,1290 3.969,1300 21.687,1301 53.756,1302 118.502,1303 151.098,1304 167.362,1305 171.362,1306 171.362,1307 28.355,1308 6.114,1309 54.6,1310 54.6,1311 11,1312 11.891,1313 3.585,1314 2.807,1315 31.281,1316 55,1317 58,1318 0.276,1319 137.221,1320 230.62,1321 326.578,1322 3081,1324 12.958,1325 0.72,1326 0.589,1327 12.958,1328 10.595,1329 8.682,1330 0.457,1331 0.333,1332 6.252,1333 8.369,1334 6.089,1335 5.081,1336 8.682,1337 6.32,1338 7.615,1339 0.305,1340 0.181,1341 7.615,1342 4.537,1343 5.745,1344 0.185,1345 0.101,1346 5.745,1347 3.132,1348 4.82,1349 0.121,1350 0.056,1351 4.82,1352 2.24,1353 3.509,1354 0.082,1355 0.033,1356 3.509,1357 1.411,1358 0.436,1359 54.198,1360 0.284,1361 18.433,1362 0.742,1363 88,1364 259.175,1365 97.285,1366 249.62,1367 334.47,1368 232,1369 100,1370 242.357,1371 107.848,1372 242.866,1373 349.9,1374 229,1375 4.602} {0 CHEMBL297712,1 1.301,2 14.222,3 6.526,4 42.583,5 143.446,6 6.784,7 0.45,8 4.329,9 4.442,10 3.821,11 3.935,12 5.345,13 3.882,14 4.902,15 5.062,16 4.174,17 4.377,18 5.88,19 4.288,20 5.246,21 5.468,22 4.212,23 4.55,24 6.048,25 4.416,26 5.327,27 5.562,28 4.234,29 4.582,30 6.122,31 4.44,32 5.406,33 5.659,34 4.242,35 4.599,36 6.228,37 4.452,38 5.362,39 5.622,40 4.185,41 4.557,42 6.164,43 4.405,44 5.279,45 5.525,46 4.11,47 4.512,48 6.051,49 4.354,50 5.286,51 5.547,52 4.033,53 4.474,54 6.051,55 4.304,56 0.062,57 0.906,58 15.778,59 7.396,60 12.335,61 9.759,62 0.251,63 1.57,64 29.071,65 12.936,66 45.906,67 17.432,68 0.298,69 2.123,70 42.652,71 18.076,72 48.099,73 24.723,74 0.317,75 2.289,76 46.607,77 19.429,78 47.551,79 26.756,80 0.429,81 2.465,82 51.351,83 20.314,84 67.719,85 28.213,86 0.443,87 2.377,88 49.119,89 19.444,90 63.981,91 27.284,92 0.306,93 2.184,94 44.525,95 18.492,96 45.577,97 25.71,98 0.352,99 2.178,100 45.381,101 18.472,102 55.57,103 25.796,104 12,105 55,106 0.202,107 0.517,108 0.718,109 0.854,110 0.887,111 0.887,112 3.616,113 0.992,114 -6.3,115 -6.14,116 -5.7,118 45.1,120 7,121 3,122 1,124 1,133 2,140 11,141 3,142 1,143 2,154 1,163 1,167 1,168 28,169 1,172 6,175 1,177 1,180 37,181 1,186 7,191 1,194 32,195 1,198 10,203 1,206 29,207 1,210 9,215 1,218 27,219 1,221 1,222 7,227 1,229 28,230 1,234 5,239 1,242 28,243 1,247 6,252 1,255 25,256 3,259 7,264 3,267 22,268 4,270 2950,271 24.937,272 24.937,273 24.937,274 24.937,275 24.937,276 22.346,277 16.312,278 15.139,279 25.127,280 19.783,281 19.783,282 19.783,283 19.783,284 19.783,285 16.111,286 15.506,287 7.188,288 20.076,289 4.849,290 2.829,291 1.536,292 0.659,293 0.451,294 0.451,295 4.324,300 1,301 1114,302 4.183,305 197.193,306 496.816,313 2.216,314 25.834,317 0.75,318 0.5,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.61,325 75.5,326 512,327 4.814,328 3.924,329 8.271,330 4.77,331 3.771,332 3.99,333 2.341,334 16.389,335 3.768,336 4.244,337 3.596,338 6.143,339 3.865,340 2.87,341 3.889,342 0.86,343 9.055,344 2.859,345 3.809,346 2.955,347 6.066,348 3.54,349 2.55,350 3.303,352 8.367,353 2.528,354 3.739,355 2.746,356 5.566,357 3.378,358 2.425,359 3.095,361 6.939,362 2.302,363 3.552,364 2.586,365 5.322,366 3.241,367 2.235,368 2.712,370 6.405,371 2.223,372 3.303,373 2.16,374 5.066,375 3.012,376 2.027,377 2.589,379 5.439,380 1.997,381 3.266,382 2.031,383 4.659,384 2.932,385 1.944,386 2.397,388 5.183,389 1.919,390 3.094,391 1.943,392 4.447,393 2.791,394 1.802,395 2.163,397 4.513,398 1.778,399 2.953,400 1.838,401 4.117,402 2.691,403 1.693,404 1.968,406 3.515,407 1.685,408 2.657,409 1.478,410 3.756,411 2.253,412 1.282,413 1.718,415 2.99,416 1.242,417 2.627,418 1.403,419 3.574,420 2.184,421 1.199,422 1.668,424 2.738,425 1.177,426 2.5,427 1.218,428 3.511,429 2.102,430 1.105,431 1.5,433 2.546,434 1.099,435 2.5,436 1.069,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1,446 3.319,447 2,448 1,449 1.5,451 2.136,452 1,453 2.276,454 1,455 3.278,456 1.956,457 1,458 1.215,460 2.136,461 0.953,462 17.4,463 0.483,464 0.679,465 0.019,466 42.5,467 1.181,468 21,469 0.583,470 21.5,471 0.597,472 37.827,473 1.051,474 38.4,475 0.541,476 31.594,477 0.878,478 7.731,479 0.215,480 9.933,481 0.276,482 0.038,483 0.029,484 0.23,487 0.764,488 1.081,489 0.877,490 1.034,491 0.691,492 0.977,493 0.69,494 1.106,495 1.005,496 1.107,497 0.454,498 1.09,499 0.893,500 1.037,501 1.033,502 1.052,503 0.772,504 1.058,505 0.866,506 1.073,507 1.013,508 1.073,509 0.69,510 1.062,511 1.027,512 0.988,513 0.998,514 0.962,515 0.71,516 0.973,517 0.865,518 0.921,519 0.972,520 0.933,521 0.563,522 0.954,523 0.787,524 1.047,525 1.029,526 1.064,527 0.561,528 1.069,529 0.854,530 0.997,531 1.018,532 1,533 0.714,534 1.023,535 6,536 0.332,537 4.222,538 2.257,539 1.376,540 1.157,541 0.791,542 0.339,543 0.258,544 0.375,545 20600,546 47573,547 2.147,548 49.3,549 14,550 15,552 2,553 1,554 2,555 1,558 1.777,559 2.067,560 3.71,561 -0.493,567 92.352,568 1.301,569 3.32,570 4.614,571 5.491,572 5.699,573 5.699,574 3.214,575 4.705,576 5.13,577 3.942,578 2483.22,579 9.043,580 40194.1,585 436.632,586 1.223,587 5.121,588 0.15,589 0.007,590 0.077,591 0.041,592 0.025,593 0.021,594 0.015,595 0.007,596 0.006,597 0.009,598 0.358,599 0.33,600 0.5,601 1.381,602 197.352,603 -0.017,604 0.018,605 0.047,606 0.042,607 -0.005,608 0.049,609 0.092,610 -0.045,611 -0.065,612 -0.063,613 0.176,614 -0.077,615 -0.059,616 -0.042,617 -0.071,618 -0.042,619 -0.043,620 -0.056,621 -0.025,622 -0.085,623 -0.046,624 -0.073,625 -0.043,626 -0.064,627 -0.061,628 0.002,629 -0.01,630 0.015,631 -0.033,632 0.009,633 -0.005,634 0.077,635 0.008,636 0.04,637 0.01,638 0.029,639 -0.032,640 -0.061,641 -0.066,642 -0.069,643 -0.016,644 -0.07,645 -0.052,646 -0.023,647 -0.046,648 -0.015,649 -0.052,650 -0.029,651 2.391,652 3.842,653 0.694,654 49.105,655 0.987,656 1.115,657 5.07,658 25.707,659 0.666,660 3.714,661 4.025,662 4.344,663 4.654,664 4.883,665 4.977,666 5.112,667 5.193,668 5.298,669 5.416,670 8.174,671 0.621,672 481.68,673 3.714,674 5.252,675 6.116,676 7.008,677 7.904,678 8.815,679 9.73,680 10.655,681 11.583,682 12.517,683 1.4,693 1,699 13,700 1,704 4,706 18,722 1,724 71,726 20,727 2,728 40,730 75,731 32,733 17,734 3,735 9,739 5,740 6,746 1,747 1,748 3,749 3,751 7,753 20,754 12,755 3,756 2,761 1,763 2,765 1,772 35,773 4,774 1,775 4,779 1,784 0.8,785 3,795 1,801 2,802 4,818 1,822 2,830 1,832 4,840 36,845 1,846 8,848 1,850 3,852 1,862 4.2,864 1,865 1,867 1,869 17.417,870 12.233,871 8.014,872 4.586,874 2.867,875 1.347,876 0.954,877 7.749,878 11.118,879 3.951,880 4.46,881 4.961,882 5.477,883 5.973,884 6.093,885 6.469,886 6.742,887 7.017,888 7.286,889 0.9,890 55,891 13.375,893 5.733,894 7.586,895 26.402,897 22.803,899 2.086,900 75.083,904 400.217,905 179.33,906 16.786,908 78.828,911 179.33,912 479.046,913 16.786,915 22.334,916 123.191,917 109.066,918 43.895,920 376.675,922 400.217,923 196.116,924 78.828,927 388.446,928 90.599,931 40.429,932 119.949,933 35.738,935 400.217,936 95.614,937 179.33,940 400.217,941 38.044,942 141.286,944 95.614,945 400.217,946 95.614,947 179.33,949 0.569,950 0.331,951 0.188,952 0.103,953 26,954 10,955 0.147,956 11,957 2,958 1.12,959 4.725,960 347.961,961 0.16,962 24,963 178.117,968 24.622,969 11.33,970 5.385,972 95.614,973 27.078,974 4.496,978 4.644,980 42.683,981 675.161,982 51,987 10.842,989 4.463,991 -0.725,994 70.105,995 79.185,996 0.212,997 0.54,998 0.75,999 0.893,1000 0.927,1001 0.927,1002 5.19,1003 1.802,1004 6.098,1005 5.183,1006 4.71,1007 5.147,1008 2.402,1009 6.98,1010 4.684,1011 6.359,1012 1.693,1013 7.696,1014 4.513,1015 4.29,1016 4.691,1017 2.243,1018 8.374,1019 4.271,1020 7.652,1021 1.282,1022 9.432,1023 3.515,1024 6.368,1025 7.184,1026 3.657,1027 11.577,1028 6.332,1029 8.987,1030 1.199,1031 11.27,1032 2.99,1033 6.938,1034 7.582,1035 4.112,1036 14.005,1037 6.916,1038 10.367,1039 1.105,1040 13.183,1041 2.738,1042 8.469,1043 9.529,1044 5.206,1045 16.876,1046 8.437,1047 11.781,1048 1,1049 15.152,1050 2.546,1051 9.492,1052 10.347,1053 5.889,1054 19.586,1055 9.472,1056 13.224,1057 1,1058 17.161,1059 2.275,1060 10.855,1061 12.039,1062 6.849,1063 22.397,1064 10.831,1065 3.771,1066 1,1067 19.2,1068 2.136,1069 12.065,1070 13.088,1071 7.625,1072 25.173,1073 12.048,1074 2.87,1075 16.389,1076 21.26,1077 2.136,1078 13.387,1079 14.643,1080 8.526,1081 27.972,1082 13.368,1083 2.55,1084 9.055,1085 23.335,1086 3.99,1087 14.668,1088 15.825,1089 9.342,1090 30.764,1091 14.653,1092 2.425,1093 8.367,1094 25.421,1095 3.889,1096 15.985,1097 17.302,1098 10.216,1099 33.561,1100 15.969,1101 2.235,1102 6.939,1103 27.515,1104 3.303,1105 17.293,1106 18.562,1107 11.051,1108 36.356,1109 17.278,1110 2.027,1111 6.405,1112 29.613,1113 3.095,1114 18.613,1115 19.995,1116 11.912,1117 39.153,1118 18.597,1119 1.944,1120 5.439,1121 31.716,1122 2.712,1123 19.931,1124 21.301,1125 12.755,1126 41.949,1127 19.915,1128 19395,1129 29545,1130 27.504,1131 47.313,1132 59.918,1133 60.602,1134 61.11,1135 59.394,1136 59.375,1137 74.248,1138 6.402,1139 169.74,1140 58.511,1141 5.814,1142 5.924,1143 8.082,1144 5.838,1145 5.771,1146 6.99,1147 3.925,1148 24.713,1149 5.768,1150 12.373,1151 1.498,1152 1.515,1153 1.528,1154 1.485,1155 1.484,1156 1.856,1157 0.16,1158 4.244,1159 1.463,1160 4.11,1161 4.144,1162 4.032,1163 4.041,1164 7.474,1165 4.034,1166 3.984,1167 4.008,1168 3.926,1169 3.938,1170 6.351,1171 3.932,1172 3.783,1173 3.829,1174 3.701,1175 3.681,1176 4.919,1177 3.679,1178 3.748,1179 3.795,1180 3.664,1181 3.665,1182 4.871,1183 3.661,1184 3.742,1185 3.772,1186 3.623,1187 3.627,1188 4.698,1189 3.616,1190 3.506,1191 3.543,1192 3.399,1193 3.345,1194 4.453,1195 3.347,1196 3.313,1197 3.365,1198 3.167,1199 3.134,1200 4.32,1201 3.132,1202 3.165,1203 3.21,1204 3.024,1205 2.969,1206 4.191,1207 2.975,1208 0.12,1209 0.098,1210 0.207,1211 0.119,1212 0.094,1213 4.814,1214 0.1,1215 3.924,1216 0.059,1217 8.271,1218 0.41,1219 4.77,1220 0.094,1221 3.771,1222 3.99,1223 2.341,1224 16.389,1225 3.768,1226 1.986,1227 1.966,1228 2.094,1229 2.066,1230 1.509,1231 2.076,1232 1.953,1233 1.923,1234 2.075,1235 2.037,1236 1.262,1237 2.051,1238 1.751,1239 1.723,1240 1.955,1241 1.898,1242 1.23,1243 1.917,1244 1.743,1245 1.695,1246 1.891,1247 1.866,1248 1.183,1249 1.876,1250 1.677,1251 1.629,1252 1.86,1253 1.808,1254 1.026,1255 1.829,1256 1.55,1257 1.498,1258 1.776,1259 1.705,1260 0.935,1261 1.731,1262 1.44,1263 1.39,1264 1.689,1265 1.629,1266 0.856,1267 1.648,1268 1.255,1269 1.198,1270 1.531,1271 1.476,1272 0.779,1273 1.495,1274 4.394,1276 5.707,1277 3.045,1278 7.236,1279 5.476,1280 8.878,1281 7.67,1282 10.59,1289 8.92,1290 7.152,1292 6.472,1294 1.724,1296 0.018,1300 44.121,1301 92.352,1302 235.755,1303 327.559,1304 389.877,1305 404.632,1306 404.632,1307 67.545,1308 8.251,1309 59.42,1310 59.42,1311 28,1312 13.019,1313 4.392,1314 3.585,1315 54.361,1316 165,1317 202,1318 0.151,1319 267.34,1320 475.99,1321 644.07,1322 47714,1324 24.796,1325 0.689,1326 0.577,1327 24.796,1328 20.76,1329 17.665,1330 0.442,1331 0.331,1332 13.142,1333 17.311,1334 12.863,1335 10.613,1336 17.665,1337 13.222,1338 15.427,1339 0.28,1340 0.188,1341 15.427,1342 10.322,1343 13.093,1344 0.172,1345 0.111,1346 13.093,1347 8.406,1348 11.292,1349 0.109,1350 0.065,1351 11.292,1352 6.709,1353 9.143,1354 0.07,1355 0.036,1356 9.143,1357 4.745,1358 0.239,1359 108.551,1360 0.191,1361 33.201,1362 0.409,1363 190,1364 447.266,1365 199.359,1366 438.208,1367 601.1,1368 412,1369 226,1370 436.234,1371 233.811,1372 445.693,1373 648.33,1374 422,1375 6.921} {0 CHEMBL297806,1 1.69,2 13.844,3 4.88,4 23.817,5 125.375,6 8.299,7 0.529,8 4.12,9 4.213,10 3.895,11 3.746,12 5.225,13 3.689,14 4.649,15 4.79,16 4.173,17 4.126,18 5.979,19 4.041,20 4.929,21 5.116,22 4.185,23 4.272,24 6.019,25 4.144,26 4.995,27 5.201,28 4.048,29 4.226,30 6.084,31 4.088,32 4.977,33 5.212,34 4.097,35 4.194,36 5.987,37 4.056,38 4.937,39 5.156,40 4.181,41 4.185,42 6.082,43 4.069,44 4.961,45 5.183,46 4.045,47 4.158,48 6.059,49 4.042,50 4.919,51 5.146,52 3.963,53 4.093,54 6,55 3.969,56 0.113,57 0.778,58 12.91,59 5.759,60 23.105,61 6.669,62 0.424,63 1.245,64 21.631,65 9.665,66 79.415,67 11.827,68 0.392,69 1.568,70 36.769,71 13.79,72 74.018,73 16.379,74 0.532,75 1.636,76 39.642,77 14.134,78 99.437,79 16.894,80 0.47,81 1.604,82 38.407,83 13.633,84 85.66,85 17.25,86 0.49,87 1.527,88 36.74,89 13.504,90 82.194,91 17.092,92 0.485,93 1.547,94 35.982,95 13.233,96 93.663,97 16.466,98 0.578,99 1.485,100 37.526,101 12.54,102 102.199,103 15.242,104 29,105 46,106 0.275,107 0.568,108 0.711,109 0.845,110 0.886,111 0.886,112 3.502,113 1.073,114 -4.38,115 -4.31,116 -4.07,118 42.1,120 5,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 21,181 1,186 7,191 4,194 21,195 1,198 8,203 5,206 14,207 2,210 5,215 4,218 13,219 3,222 11,227 6,229 12,230 3,234 10,239 5,242 12,243 1,247 7,252 2,253 1,255 12,256 1,259 6,260 1,262 1,263 1,264 2,267 10,268 1,270 1970,271 21.162,272 21.162,273 21.162,274 21.162,275 21.162,276 18.441,277 17.217,278 12.701,279 21.539,280 16.782,281 16.782,282 16.782,283 16.782,284 16.782,285 12.648,286 10.143,287 6.067,288 17.452,289 4.143,290 2.337,291 1.461,292 0.636,293 0.386,294 0.386,295 4.183,297 1,299 1,300 1,301 928,302 4.359,306 380.241,313 2.061,314 42.057,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 69.333,326 443,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.274,337 3.601,338 6.182,339 3.918,340 2.918,341 3.914,343 9.226,344 2.917,345 3.893,346 3.123,347 5.347,348 3.505,349 2.514,350 3.443,352 6.989,353 2.491,354 3.835,355 2.898,356 5.249,357 3.322,358 2.402,359 3.393,361 6.642,362 2.283,363 3.585,364 2.72,365 5.146,366 3.278,367 2.286,368 2.874,370 6.317,371 2.168,372 3.511,373 2.538,374 4.73,375 3.176,376 2.173,377 2.695,379 5.229,380 2.145,381 3.081,382 1.945,383 4.69,384 2.616,385 1.651,386 2.29,388 4.759,389 1.606,390 2.963,391 1.891,392 4.351,393 2.579,394 1.618,395 2.123,397 4.229,398 1.468,399 2.871,400 1.562,401 3.637,402 2.427,403 1.453,404 2.013,406 3.132,407 1.411,408 2.5,409 1.337,410 3.533,411 2.11,412 1.143,413 1.5,415 2.536,416 1.098,417 2.5,418 1.014,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.309,427 1,428 3.247,429 1.956,430 1,431 1.277,433 2.136,434 0.954,435 1.992,436 1,437 3.212,438 1.74,439 0.748,440 0.897,442 1.724,443 0.74,444 1.732,445 0.856,446 2.987,447 1.525,448 0.524,449 0.599,451 1.179,452 0.52,453 1.259,454 0.604,455 2.938,456 1.016,457 0.04,458 0.046,460 0.099,461 0.038,462 15.681,463 0.49,464 0.841,465 0.026,466 41.5,467 1.297,468 22.5,469 0.703,470 19,471 0.594,472 27.726,473 0.866,474 34.719,475 0.609,476 32.669,477 1.021,478 8.008,479 0.25,480 7.323,481 0.229,482 0.131,483 0.053,484 0.223,487 0.578,488 1.189,489 0.729,490 1.102,491 0.674,492 0.919,493 0.481,494 1.078,495 0.795,496 0.988,497 0.454,498 1.016,499 0.906,500 1.112,501 1.107,502 1.14,503 0.873,504 1.098,505 1.086,506 1.101,507 1.104,508 1.12,509 1.105,510 1.142,511 0.813,512 0.953,513 0.638,514 0.836,515 0.872,516 0.953,517 0.563,518 1.038,519 0.719,520 1.02,521 0.586,522 0.974,523 1.004,524 0.99,525 0.789,526 0.9,527 1.028,528 0.96,529 1.183,530 0.891,531 0.971,532 0.882,533 1.148,534 0.938,535 7.5,536 0.215,537 3.778,538 1.5,539 1.267,540 1.187,541 0.611,542 0.439,543 0.394,544 0.298,545 14908,546 49354,547 2.004,548 43.9,549 6,550 11,552 2,553 2,554 2,555 2,558 1.745,559 1.873,560 3.734,561 0.208,567 96.339,568 1.69,569 3.496,570 4.372,571 5.197,572 5.447,573 5.447,574 3.219,575 4.203,576 4.969,577 3.917,578 1942.75,579 8.694,580 30126,585 332.475,586 1.501,587 4.922,588 0.221,589 0.007,590 0.082,591 0.033,592 0.032,593 0.03,594 0.014,595 0.011,596 0.011,597 0.009,598 0.451,599 0.17,600 0.75,601 1.043,602 171.4,603 0.037,604 -0.035,605 0.125,606 -0.017,607 -0.105,608 0.043,609 0.254,610 0.01,611 0.01,612 -0.011,613 0.263,614 -0.064,615 -0.097,616 -0.096,617 -0.121,618 -0.095,619 -0.061,620 -0.098,621 -0.158,622 -0.108,623 -0.183,624 -0.128,625 -0.124,626 -0.16,627 -0.033,628 0.015,629 0.121,630 0.075,631 -0.049,632 0.038,633 0.19,634 -0.08,635 0.153,636 -0.056,637 0.161,638 0.038,639 -0.08,640 -0.036,641 0.019,642 0.018,643 -0.071,644 0.022,645 -0.167,646 0.088,647 -0.061,648 0.062,649 -0.151,650 0.036,651 4.535,652 5.428,653 0.563,654 38.84,655 1.009,656 1.117,657 3.149,658 9.918,659 0.692,660 3.555,661 3.85,662 4.007,663 4.159,664 4.369,665 4.394,666 4.382,667 4.419,668 4.554,669 4.615,670 8.092,671 0.653,672 473.03,673 3.555,674 5.081,675 5.889,676 6.739,677 7.567,678 8.421,679 9.257,680 10.114,681 10.954,682 11.814,683 3.5,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 57,726 21,727 2,728 34,730 59,731 24,733 17,734 5,735 7,739 3,740 3,741 1,751 5,753 18,754 6,756 3,760 1,761 3,765 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 6,847 1,861 1,862 7,864 1,865 3,869 17.083,870 9.876,871 7.069,872 3.351,874 2.857,875 1.391,876 0.96,877 8.544,878 10.158,879 3.85,880 4.437,881 4.862,882 5.31,883 5.809,884 5.874,885 5.977,886 6.093,887 6.487,888 6.779,889 1,890 45,891 12.076,893 5.31,894 8.006,895 22.389,897 18.323,899 2.506,900 80.194,904 270.735,905 142.67,906 33.191,907 39.149,908 112.141,910 5.807,911 136.863,912 422.025,913 33.191,915 14.778,916 107.499,917 153.379,918 35.888,920 247.193,921 39.149,922 270.735,923 170.053,924 112.141,925 44.956,927 247.193,928 135.683,931 49.278,932 103.99,933 61.742,935 270.735,936 145.332,937 181.819,939 5.807,940 270.735,941 33.482,942 103.381,943 16.405,944 168.075,945 270.735,946 145.332,947 181.819,949 0.577,950 0.31,951 0.15,952 0.087,953 19,954 9,955 0.186,956 11,958 1,959 4.378,960 268.359,962 18,963 154,967 1,968 24.091,969 11.349,970 7.524,972 145.332,973 19.45,974 4.132,978 4.79,980 59.088,981 597.886,982 46,986 -3.618,987 35.948,991 -0.843,994 57.516,995 63.681,996 0.29,997 0.599,998 0.75,999 0.891,1000 0.934,1001 0.934,1002 5.066,1003 1.618,1004 5.883,1005 4.759,1006 4.533,1007 5.124,1008 2.258,1009 6.661,1010 4.458,1011 6.286,1012 1.453,1013 7.432,1014 4.229,1015 4.205,1016 5.112,1017 2.243,1018 7.789,1019 4.025,1020 7.612,1021 1.143,1022 9.097,1023 3.132,1024 6.142,1025 7.374,1026 3.628,1027 10.762,1028 5.978,1029 8.982,1030 1,1031 10.84,1032 2.536,1033 6.635,1034 8.185,1035 4.112,1036 12.79,1037 6.342,1038 10.389,1039 1,1040 12.638,1041 2.275,1042 8.084,1043 9.983,1044 5.201,1045 15.397,1046 7.792,1047 11.825,1048 0.748,1049 14.478,1050 2.136,1051 8.955,1052 11.168,1053 5.889,1054 17.747,1055 8.529,1056 13.284,1057 0.524,1058 16.349,1059 1.724,1060 10.226,1061 12.796,1062 6.849,1063 20.274,1064 9.771,1065 3.374,1066 0.04,1067 18.245,1068 1.179,1069 11.275,1070 14.162,1071 7.625,1072 22.731,1073 10.693,1074 2.918,1075 12.404,1076 20.16,1077 0.099,1078 12.487,1079 15.727,1080 8.526,1081 25.243,1082 11.847,1083 2.514,1084 9.226,1085 22.091,1086 4.697,1087 13.618,1088 17.181,1089 9.342,1090 27.736,1091 12.86,1092 2.402,1093 6.989,1094 24.033,1095 3.914,1096 14.814,1097 18.724,1098 10.216,1099 30.248,1100 13.979,1101 2.286,1102 6.642,1103 25.984,1104 3.443,1105 15.984,1106 20.222,1107 11.051,1108 32.756,1109 15.037,1110 2.173,1111 6.317,1112 27.943,1113 3.393,1114 17.18,1115 21.759,1116 11.912,1117 35.269,1118 16.143,1119 1.651,1120 5.229,1121 29.907,1122 2.874,1123 18.368,1124 23.279,1125 12.755,1126 37.782,1127 17.223,1128 14566,1129 26725,1130 22.246,1131 39.472,1132 49.899,1133 51.501,1134 50.736,1135 49.976,1136 49.69,1137 66.52,1138 4.682,1139 137.753,1140 47.805,1141 5.747,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.245,1151 1.468,1152 1.515,1153 1.492,1154 1.47,1155 1.461,1156 1.956,1157 0.138,1158 4.052,1159 1.406,1160 4.085,1161 4.079,1162 4.736,1163 4.068,1164 7.717,1165 3.991,1166 3.987,1167 3.999,1168 3.939,1169 3.941,1170 7.474,1171 3.922,1172 3.856,1173 3.896,1174 3.923,1175 3.766,1176 6.999,1177 3.766,1178 3.668,1179 3.689,1180 3.789,1181 3.584,1182 6.351,1183 3.524,1184 3.576,1185 3.594,1186 3.494,1187 3.409,1188 4.931,1189 3.406,1190 3.417,1191 3.456,1192 3.312,1193 3.297,1194 4.895,1195 3.277,1196 3.21,1197 3.262,1198 3.162,1199 3.055,1200 4.698,1201 3.037,1202 3.024,1203 3.057,1204 3.053,1205 2.807,1206 4.267,1207 2.824,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.069,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.995,1227 1.978,1228 2.11,1229 2.074,1230 1.367,1231 2.095,1232 1.947,1233 1.948,1234 1.975,1235 2.01,1236 1.199,1237 2.047,1238 1.842,1239 1.806,1240 1.952,1241 1.957,1242 1.141,1243 1.965,1244 1.592,1245 1.561,1246 1.799,1247 1.779,1248 1.07,1249 1.793,1250 1.495,1251 1.473,1252 1.702,1253 1.695,1254 0.873,1255 1.703,1256 1.377,1257 1.352,1258 1.536,1259 1.533,1260 0.706,1261 1.572,1262 1.181,1263 1.136,1264 1.182,1265 1.364,1266 0.507,1267 1.402,1268 0.943,1269 0.91,1270 1.181,1271 1.228,1272 0.278,1273 1.209,1274 4.234,1276 5.533,1278 7.015,1280 8.577,1282 10.182,1285 5.821,1289 9.106,1290 2.807,1291 2.602,1300 37.238,1301 96.339,1302 199.262,1303 249.216,1304 296.21,1305 310.475,1306 310.475,1307 87.573,1308 7.3,1309 96.36,1310 104.74,1311 18,1312 12.369,1313 4.459,1314 3.7,1315 61.216,1316 155,1317 156,1318 0.187,1319 238.57,1320 418.46,1321 573.87,1322 15142,1323 1.8,1324 22.976,1325 0.718,1326 0.596,1327 23.726,1328 19.071,1329 15.331,1330 0.451,1331 0.358,1332 10.367,1333 13.834,1334 9.983,1335 8.247,1336 16.441,1337 12.161,1338 14.089,1339 0.306,1340 0.21,1341 15.821,1342 9.663,1343 10.588,1344 0.196,1345 0.127,1346 11.984,1347 6.843,1348 7.985,1349 0.127,1350 0.072,1351 9.006,1352 4.563,1353 6.412,1354 0.082,1355 0.043,1356 7.371,1357 3.361,1358 0.301,1359 106.456,1360 0.212,1361 30.528,1362 0.494,1363 160,1364 504.398,1365 223.911,1366 539.473,1367 701.16,1368 494,1369 180,1370 441.182,1371 242.974,1372 494.537,1373 706.47,1374 463,1375 7.824} {0 CHEMBL298009,1 1.749,2 12.963,3 3.818,4 14.578,5 104.839,6 8.219,7 0.429,8 3.983,9 4.08,10 3.761,11 3.572,12 5.069,13 3.511,14 4.528,15 4.682,16 4.018,17 3.942,18 5.872,19 3.847,20 4.814,21 5.023,22 4.021,23 4.076,24 5.889,25 3.938,26 4.847,27 5.062,28 3.877,29 4.007,30 5.951,31 3.868,32 4.821,33 5.064,34 3.878,35 3.937,36 5.848,37 3.791,38 4.742,39 4.987,40 3.933,41 3.895,42 5.857,43 3.754,44 4.67,45 4.901,46 3.783,47 3.855,48 5.742,49 3.724,50 4.619,51 4.834,52 3.743,53 3.797,54 5.822,55 3.692,56 0.122,57 0.7,58 12.189,59 5.165,60 23.936,61 6.054,62 0.443,63 1.096,64 20.646,65 8.682,66 81.349,67 10.725,68 0.459,69 1.339,70 35.927,71 12.213,72 80.043,73 14.723,74 0.572,75 1.343,76 36.609,77 11.85,78 102.103,79 14.326,80 0.582,81 1.298,82 35.048,83 10.861,84 101.16,85 13.752,86 0.619,87 1.214,88 32.881,89 10.332,90 88.874,91 13.273,92 0.443,93 1.139,94 31.896,95 10.092,96 74.493,97 12.494,98 0.532,99 1.05,100 28.42,101 9.034,102 88.27,103 11.244,104 32,105 37,106 0.296,107 0.617,108 0.771,109 0.861,110 0.874,111 0.874,112 3.339,113 1.139,114 -3.52,115 -3.5,116 -3.34,118 38,120 6,124 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 3,175 3,177 2,180 12,181 1,186 7,191 4,194 10,195 1,198 9,203 5,206 5,207 1,210 4,215 2,218 6,219 1,222 8,225 1,227 3,229 7,230 1,234 4,239 2,242 8,243 1,246 2,247 3,248 1,252 2,255 7,256 2,258 1,259 6,262 1,264 3,267 5,270 1292,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.7,277 13.076,278 10.787,279 18.075,280 13.816,281 13.816,282 13.816,283 13.816,284 13.816,285 10.78,286 5.928,287 5.125,288 14.482,289 3.895,290 2.001,291 1.093,292 0.56,293 0.48,294 0.48,295 4.003,297 1,299 1,300 1,301 711,302 4.359,306 208.046,313 2.041,314 39.441,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 59.333,326 350,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.196,337 3.596,338 6.137,339 3.838,340 2.843,341 3.802,343 9.032,344 2.829,345 3.835,346 3.068,347 5.149,348 3.312,349 2.4,350 3.393,352 6.32,353 2.222,354 3.55,355 2.898,356 4.735,357 3.24,358 2.234,359 2.71,361 5.185,362 2.157,363 3.087,364 2.088,365 4.659,366 2.794,367 1.804,368 2.293,370 4.793,371 1.783,372 2.982,373 1.864,374 4.45,375 2.6,376 1.655,377 2.117,379 4.488,380 1.526,381 2.933,382 1.658,383 3.694,384 2.483,385 1.526,386 2.099,388 3.257,389 1.425,390 2.598,391 1.511,392 3.566,393 2.37,394 1.395,395 1.596,397 2.956,398 1.352,399 2.5,400 1.229,401 3.474,402 2,403 1.039,404 1.5,406 2.316,407 1,408 2.259,409 1.01,410 3.414,411 1.991,412 1,413 1.213,415 2.275,416 0.984,417 1.897,418 1,419 2.991,420 1.751,421 0.754,422 0.827,424 1.58,425 0.747,426 1.323,427 0.637,428 2.894,429 1.107,430 0.133,431 0.151,433 0.304,434 0.128,435 1.12,436 0.543,437 2.597,438 0.793,439 -0.171,440 -0.191,442 -0.384,443 -0.13,444 1,445 0.312,446 2.279,447 0.586,448 -0.253,449 -0.312,451 -0.567,452 -0.213,453 0.974,454 0.01,455 2,456 0.339,457 -0.65,458 -0.743,460 -1.494,461 -0.634,462 13.181,463 0.488,464 0.704,465 0.026,466 32.5,467 1.204,468 16.5,469 0.611,470 16,471 0.593,472 23.546,473 0.872,474 30.619,475 0.612,476 24.003,477 0.889,478 6.043,479 0.224,480 6.838,481 0.253,482 0.155,483 0.063,484 0.19,487 0.589,488 1.315,489 0.743,490 1.188,491 0.675,492 0.984,493 0.479,494 1.152,495 0.791,496 1.027,497 0.441,498 1.062,499 0.892,500 1.08,501 1.055,502 1.091,503 0.843,504 1.029,505 1.108,506 1.134,507 1.082,508 1.111,509 1.124,510 1.112,511 1,512 0.993,513 0.675,514 0.8,515 1.057,516 0.961,517 0.644,518 0.875,519 0.743,520 0.888,521 0.629,522 0.913,523 0.897,524 0.979,525 0.946,526 1.023,527 0.879,528 0.926,529 1.031,530 0.903,531 0.939,532 0.897,533 1.082,534 0.925,535 6,536 0.161,537 3.333,538 1.5,539 0.884,540 0.729,541 0.467,542 0.387,543 0.271,544 0.177,545 9132,546 32805,547 1.946,548 46,549 8,550 7,552 2,553 2,554 2,555 2,558 1.698,559 1.81,560 3.625,561 0.304,563 1,567 87.44,568 1.749,569 3.642,570 4.551,571 5.084,572 5.164,573 5.164,574 3.134,575 4.31,576 4.722,577 3.829,578 1343.96,579 8.183,580 18543.3,582 1,584 1,585 282.193,586 1.525,587 4.669,588 0.214,589 0.008,590 0.09,591 0.042,592 0.029,593 0.026,594 0.016,595 0.013,596 0.009,597 0.007,598 0.454,599 0.33,600 0.88,601 1.683,602 137.712,603 0.033,604 -0.072,605 0.132,606 -0.033,607 -0.097,608 0.032,609 0.257,610 -0.025,611 0.021,612 -0.025,613 0.279,614 -0.081,615 -0.081,616 -0.066,617 -0.056,618 -0.035,619 -0.034,620 -0.015,621 -0.161,622 -0.143,623 -0.155,624 -0.119,625 -0.123,626 -0.135,627 -0.113,628 -0.026,629 0.081,630 0.076,631 -0.134,632 -0.006,633 0.145,634 0.111,635 0.157,636 0.052,637 0.099,638 0.073,639 -0.061,640 0.015,641 -0.001,642 0.004,643 -0.026,644 0.077,645 -0.053,646 0.075,647 -0.049,648 0.032,649 -0.056,650 0.04,651 4.489,652 5.303,653 0.444,654 29.232,655 1.013,656 1.125,657 2.292,658 5.251,659 0.674,660 3.367,661 3.638,662 3.761,663 3.871,664 4.007,665 3.989,666 3.932,667 3.912,668 3.951,669 3.989,670 7.541,671 0.634,672 410.96,673 3.367,674 4.875,675 5.666,676 6.506,677 7.319,678 8.164,679 8.987,680 9.837,681 10.665,682 11.518,683 4,685 1,693 1,699 7,700 1,704 4,706 12,723 1,724 50,726 15,727 1,728 28,730 51,731 19,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 7,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 27,844 1,845 1,846 7,847 1,861 1,862 8,864 1,865 3,869 14.917,870 8.543,871 6.069,872 3.045,874 2.262,875 1.337,876 0.932,877 8.391,878 8.972,879 3.638,880 4.19,881 4.564,882 4.972,883 5.41,884 5.443,885 5.448,886 5.321,887 5.544,888 5.847,889 0.889,890 36,891 10.209,893 4.451,894 8.106,895 18.828,897 15.2,899 2.606,900 70.361,902 1,903 1,904 247.193,905 100.929,906 33.191,907 39.149,908 112.141,910 5.807,911 95.121,912 398.483,913 33.191,915 17.313,916 69.594,917 153.379,918 29.517,920 223.651,921 39.149,922 247.193,923 128.312,924 112.141,925 44.956,927 223.651,928 135.683,931 51.813,932 59.714,933 61.742,935 247.193,936 145.332,937 140.077,939 5.807,940 247.193,941 29.645,942 65.476,943 16.405,944 168.075,945 247.193,946 145.332,947 140.077,949 0.571,950 0.304,951 0.144,952 0.076,953 14,954 7,955 0.216,956 11,958 1,959 3.947,960 201.974,962 12,963 122.382,967 1,968 21.52,969 10.528,970 7.393,972 145.332,973 11.405,974 4.14,978 2.777,980 59.088,981 532.602,982 37,986 -3.572,987 35.139,991 -0.773,994 50.633,995 56.265,996 0.31,997 0.645,998 0.806,999 0.901,1000 0.915,1001 0.915,1002 4.844,1003 1.395,1004 5.659,1005 3.257,1006 4.317,1007 4.875,1008 2.258,1009 6.435,1010 4.224,1011 6.056,1012 1.039,1013 7.21,1014 2.956,1015 4.007,1016 4.934,1017 2.243,1018 7.644,1019 3.783,1020 7.386,1021 1,1022 8.888,1023 2.316,1024 5.927,1025 7.134,1026 3.628,1027 10.613,1028 5.719,1029 8.764,1030 0.754,1031 10.652,1032 2.275,1033 6.463,1034 8.04,1035 4.112,1036 12.714,1037 6.104,1038 10.185,1039 0.133,1040 12.475,1041 1.58,1042 7.904,1043 9.799,1044 5.201,1045 15.328,1046 7.542,1047 11.637,1048 -0.171,1049 14.34,1050 0.304,1051 8.819,1052 11.058,1053 5.889,1054 17.71,1055 8.312,1056 13.114,1057 -0.253,1058 16.236,1059 -0.384,1060 10.092,1061 12.67,1062 6.849,1063 20.243,1064 9.547,1065 3.374,1066 -0.65,1067 18.153,1068 -0.567,1069 11.172,1070 14.082,1071 7.625,1072 22.712,1073 10.496,1074 2.843,1075 12.404,1076 20.087,1077 -1.494,1078 12.389,1079 15.642,1080 8.526,1081 25.228,1082 11.648,1083 2.4,1084 9.032,1085 22.032,1086 4.697,1087 13.54,1088 17.123,1089 9.342,1090 27.726,1091 12.679,1092 2.234,1093 6.32,1094 23.987,1095 3.802,1096 14.743,1097 18.667,1098 10.216,1099 30.24,1100 13.799,1101 1.804,1102 5.185,1103 25.948,1104 3.393,1105 15.925,1106 20.18,1107 11.051,1108 32.75,1109 14.868,1110 1.655,1111 4.793,1112 27.914,1113 2.71,1114 17.127,1115 21.721,1116 11.912,1117 35.265,1118 15.976,1119 1.526,1120 4.488,1121 29.884,1122 2.293,1123 18.323,1124 23.249,1125 12.755,1126 37.779,1127 17.063,1128 9256,1129 17722,1130 17.97,1131 33.71,1132 40.295,1133 42.091,1134 41.484,1135 40.584,1136 40.316,1137 52.796,1138 4.682,1139 109.822,1140 38.434,1141 5.773,1142 6.683,1143 7.067,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 15.604,1151 1.439,1152 1.503,1153 1.482,1154 1.449,1155 1.44,1156 1.886,1157 0.167,1158 3.922,1159 1.373,1160 4.078,1161 4.064,1162 4.735,1163 4.065,1164 7.717,1165 3.978,1166 3.932,1167 3.961,1168 3.925,1169 3.852,1170 7.474,1171 3.848,1172 3.722,1173 3.771,1174 3.873,1175 3.593,1176 6.999,1177 3.571,1178 3.649,1179 3.659,1180 3.591,1181 3.559,1182 6.351,1183 3.503,1184 3.43,1185 3.469,1186 3.303,1187 3.243,1188 4.93,1189 3.242,1190 3.296,1191 3.337,1192 3.215,1193 3.127,1194 4.876,1195 3.11,1196 3.057,1197 3.107,1198 3.125,1199 2.842,1200 4.269,1201 2.848,1202 2.854,1203 2.925,1204 2.895,1205 2.735,1206 4.127,1207 2.715,1208 0.173,1209 0.167,1210 0.26,1211 0.153,1212 0.121,1213 4.844,1214 0.168,1215 4.683,1216 0.084,1217 7.293,1218 0.443,1219 4.291,1220 0.109,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.961,1227 1.967,1228 2.066,1229 2.05,1230 1.377,1231 2.077,1232 1.911,1233 1.88,1234 1.956,1235 1.996,1236 1.233,1237 2.025,1238 1.71,1239 1.658,1240 1.931,1241 1.882,1242 1.14,1243 1.9,1244 1.528,1245 1.522,1246 1.702,1247 1.717,1248 0.978,1249 1.738,1250 1.38,1251 1.337,1252 1.6,1253 1.607,1254 0.752,1255 1.611,1256 1.227,1257 1.197,1258 1.294,1259 1.401,1260 0.509,1261 1.446,1262 1.004,1263 0.954,1264 1.181,1265 1.283,1266 0.452,1267 1.282,1268 0.886,1269 0.821,1270 1.118,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.323,1278 6.786,1280 8.334,1282 9.93,1285 5.79,1289 8.66,1290 4.192,1291 2.603,1300 31.711,1301 87.44,1302 182.119,1303 227.564,1304 254.193,1305 258.193,1306 258.193,1307 84.23,1308 6.711,1309 96.36,1310 104.74,1311 12,1312 12.08,1313 4,1314 3.322,1315 58.656,1316 120,1317 126,1318 0.231,1319 206.784,1320 363.14,1321 496.312,1322 7500,1323 2,1324 19.7,1325 0.73,1326 0.61,1327 20.45,1328 16.469,1329 12.882,1330 0.46,1331 0.38,1332 8.838,1333 11.385,1334 8.511,1335 7.055,1336 13.992,1337 10.632,1338 11.674,1339 0.316,1340 0.227,1341 13.406,1342 8.404,1343 8.44,1344 0.201,1345 0.14,1346 9.836,1347 5.881,1348 6.246,1349 0.133,1350 0.082,1351 7.268,1352 3.868,1353 4.695,1354 0.087,1355 0.051,1356 5.647,1357 2.735,1358 0.375,1359 91.759,1360 0.236,1361 26.684,1362 0.602,1363 130,1364 440.398,1365 193.911,1366 472.014,1367 604.06,1368 430,1369 144,1370 367.182,1371 206.974,1372 416.232,1373 593.37,1374 389,1375 7.367} {0 CHEMBL298130,1 1.344,2 9.429,3 3.331,4 11.098,5 83.122,6 6.487,7 0.261,8 3.849,9 3.971,10 3.294,11 3.425,12 4.83,13 3.365,14 4.449,15 4.626,16 3.637,17 3.884,18 5.414,19 3.776,20 4.799,21 5.051,22 3.536,23 4.009,24 5.536,25 3.832,26 4.792,27 5.072,28 3.506,29 3.953,30 5.53,31 3.776,32 4.72,33 4.987,34 3.487,35 3.913,36 5.499,37 3.741,38 4.694,39 4.984,40 3.306,41 3.804,42 5.437,43 3.612,44 4.525,45 4.809,46 3.067,47 3.608,48 5.272,49 3.406,50 4.354,51 4.646,52 2.986,53 3.399,54 5.112,55 3.218,56 0.043,57 0.592,58 10.298,59 4.679,60 8.185,61 6.316,62 0.186,63 1.028,64 19.106,65 8.32,66 35.732,67 11.563,68 0.198,69 1.318,70 27.503,71 11.216,72 34.356,73 15.902,74 0.211,75 1.28,76 27.405,77 10.848,78 37.556,79 15.611,80 0.164,81 1.233,82 25.383,83 10.066,84 31.165,85 14.602,86 0.204,87 1.169,88 24.965,89 9.314,90 32.381,91 13.755,92 0.185,93 0.952,94 21.114,95 7.997,96 31.87,97 11.565,98 0.141,99 0.778,100 17.816,101 6.68,102 24.304,103 9.618,104 11,105 31,106 0.237,107 0.563,108 0.779,109 0.89,110 0.914,111 0.914,112 3.103,113 1.046,114 -4.4,115 -4.33,116 -4.08,118 40.9,120 6,121 4,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 21,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 5,215 1,218 14,219 1,222 3,227 1,229 10,230 1,234 2,239 1,242 7,243 2,247 3,252 2,255 3,256 4,259 5,264 4,267 1,268 2,270 641,271 14.397,272 14.397,273 14.397,274 14.397,275 14.397,276 13.204,277 9.708,278 8.852,279 14.467,280 11.409,281 11.409,282 11.409,283 11.409,284 11.409,285 9.732,286 6.108,287 4.258,288 11.508,289 4.116,290 2.268,291 1.04,292 0.409,293 0.273,294 0.273,295 3.784,298 1,299 1,300 1,301 424,302 3.24,305 103.321,306 126.121,313 1.401,314 16.038,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 198,327 4.353,328 3.597,329 6.944,330 4.291,331 3.291,332 3.636,333 2.341,334 11.766,335 3.29,336 3.752,337 3.407,338 5.771,339 3.453,340 2.461,341 3.02,343 7.759,344 2.442,345 3.559,346 2.574,347 5.217,348 3.241,349 2.236,350 2.721,352 6.194,353 2.224,354 3.198,355 2.192,356 4.686,357 3.013,358 2.013,359 2.262,361 5.184,362 2.011,363 3.015,364 1.895,365 4.657,366 2.735,367 1.751,368 2.143,370 4.725,371 1.722,372 2.858,373 1.754,374 3.765,375 2.542,376 1.547,377 1.857,379 3.277,380 1.534,381 2.5,382 1.396,383 3.56,384 2.207,385 1.224,386 1.5,388 2.828,389 1.201,390 2.477,391 1.095,392 3.27,393 1.956,394 1,395 1.467,397 2.136,398 0.953,399 1.928,400 1,401 3.247,402 1.795,403 0.795,404 0.847,406 1.773,407 0.792,408 1.649,409 0.723,410 3.168,411 1.609,412 0.61,413 0.627,415 1.491,416 0.609,417 1.295,418 0.614,419 2.699,420 1.055,421 0.056,422 0.065,424 0.139,425 0.056,426 0.758,427 0.205,428 2.288,429 0.549,430 -0.448,431 -0.48,433 -1.062,434 -0.442,435 0.53,436 -0.082,437 2.153,438 0.112,439 -0.872,440 -1.074,442 -2,443 -0.841,444 0.5,445 -0.712,446 2.095,447 -0.002,448 -1,449 -1.235,451 -2.047,452 -0.963,453 0.324,454 -0.939,455 1.555,456 -0.027,457 -1,458 -1.331,460 -2.347,461 -0.975,462 10.067,463 0.479,464 0.418,465 0.02,466 21,467 1,468 8.5,469 0.405,470 12.5,471 0.595,472 20.368,473 0.97,474 23.533,475 0.535,476 11.704,477 0.557,478 3.478,479 0.166,480 6.776,481 0.323,482 0.066,484 0.298,487 0.733,488 1.174,489 0.926,490 1.103,491 0.659,492 1.048,493 0.417,494 1.196,495 1.027,496 1.205,497 0.346,498 1.186,499 0.705,500 1.099,501 1.071,502 1.128,503 0.704,504 1.144,505 0.625,506 0.9,507 0.882,508 0.913,509 0.585,510 0.926,511 0.535,512 1.102,513 0.955,514 1.069,515 0.481,516 1.06,517 0.649,518 0.958,519 0.979,520 0.969,521 0.554,522 0.996,523 0.818,524 0.985,525 1.037,526 1.021,527 0.804,528 1.048,529 0.786,530 0.946,531 0.852,532 0.957,533 0.86,534 0.919,535 3,536 0.078,537 1.778,538 1.285,539 0.828,540 0.469,541 0.256,542 0.128,543 0.14,544 0.159,545 4485,546 10918,547 2.102,548 52.3,549 14,550 4,552 2,553 1,554 2,558 1.63,559 2,560 3.186,561 -0.385,562 1,563 1,565 1,567 59.114,568 1.344,569 3.192,570 4.419,571 5.05,572 5.187,573 5.187,574 2.684,575 3.916,576 4.355,577 3.372,578 708.063,579 7.461,580 7640.47,582 1,584 1,585 240.215,586 1.268,587 4.338,588 0.13,589 0.009,590 0.057,591 0.049,592 0.032,593 0.019,594 0.013,595 0.009,596 0.01,597 0.011,598 0.339,599 0.67,600 1,601 1.787,602 95.655,603 -0.04,604 0.024,605 0.033,606 0.064,607 0.001,608 0.056,609 0.167,610 -0.073,611 -0.087,612 -0.101,613 0.211,614 -0.119,615 -0.053,616 -0.111,617 -0.136,618 -0.112,619 -0.042,620 -0.132,621 -0.005,622 0.058,623 0.054,624 0.073,625 0.011,626 0.07,627 0.009,628 -0.105,629 -0.026,630 -0.071,631 0.01,632 -0.056,633 -0.031,634 0.025,635 -0.039,636 -0.015,637 -0.03,638 -0.023,639 -0.055,640 -0.04,641 -0.088,642 -0.062,643 -0.067,644 -0.075,645 0.046,646 -0.034,647 0.105,648 -0.007,649 -0.029,650 0.048,651 2.382,652 3.519,653 0.619,654 17.982,655 0.988,656 1.125,657 3.167,658 10.028,659 0.643,660 3.178,661 3.466,662 3.738,663 4.06,664 4.234,665 4.277,666 4.344,667 4.394,668 4.369,669 4.29,670 5.648,671 0.596,672 285.42,673 3.178,674 4.691,675 5.533,676 6.412,677 7.288,678 8.185,679 9.08,680 9.988,681 10.894,682 11.808,683 2.3,693 1,699 4,700 1,704 1,706 6,724 44,726 8,728 23,730 46,731 18,733 5,739 3,740 4,748 3,749 4,751 6,753 8,754 10,755 4,756 2,761 1,763 2,765 1,768 1,769 1,772 23,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,822 2,830 1,832 2,840 21,845 1,846 6,850 4,862 4.5,864 1,865 1,869 10.5,870 7.4,871 4.694,872 2.933,874 1.422,875 1.211,876 0.921,877 4.5,878 8.147,879 3.367,880 3.795,881 4.171,882 4.626,883 5.032,884 5.056,885 5.338,886 5.586,887 5.716,888 5.809,889 1,890 26,891 7.809,893 3.332,894 7.675,895 15.518,897 13.598,899 2.175,900 45.667,901 0.001,904 258.964,905 75.302,906 16.786,908 67.828,911 75.302,912 326.793,913 16.786,915 15.207,916 37.905,917 109.066,918 21.28,920 235.422,922 258.964,923 92.088,924 67.828,927 258.964,928 67.828,931 33.302,932 23.048,933 35.738,935 258.964,936 84.614,937 75.302,940 258.964,941 19.303,942 56,944 84.614,945 258.964,946 84.614,947 75.302,949 0.565,950 0.314,951 0.179,952 0.097,953 15,954 6,955 0.13,956 6,957 2,958 1.231,959 3.454,960 156.465,961 0.308,962 12,963 92.239,968 14.469,969 6.532,970 3.241,972 84.614,973 8.143,974 4.293,978 1.397,980 42.683,981 418.881,982 28,987 10.519,989 4.248,991 -0.715,994 43.476,995 49.484,996 0.246,997 0.585,998 0.809,999 0.925,1000 0.95,1001 0.95,1002 4.6,1003 1,1004 5.493,1005 2.828,1006 4.143,1007 4.477,1008 2.258,1009 6.301,1010 4.129,1011 5.728,1012 0.795,1013 7.036,1014 2.136,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.981,1021 0.61,1022 8.692,1023 1.773,1024 5.7,1025 6.344,1026 3.628,1027 10.411,1028 5.683,1029 8.265,1030 0.056,1031 10.421,1032 1.491,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.585,1039 -0.448,1040 12.201,1041 0.139,1042 7.613,1043 8.503,1044 5.201,1045 14.999,1046 7.596,1047 10.931,1048 -0.872,1049 14.018,1050 -1.062,1051 8.447,1052 9.14,1053 5.889,1054 17.262,1055 8.44,1056 12.299,1057 -1,1058 15.863,1059 -2,1060 9.753,1061 10.825,1062 6.849,1063 19.8,1064 9.74,1065 3.291,1066 -1,1067 17.728,1068 -2.047,1069 10.793,1070 11.688,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.608,1077 -2.347,1078 12.019,1079 13.242,1080 8.526,1081 24.682,1082 12.008,1083 2.236,1084 7.759,1085 21.501,1086 3.636,1087 13.148,1088 14.244,1089 9.342,1090 27.121,1091 13.14,1092 2.013,1093 6.194,1094 23.403,1095 3.02,1096 14.347,1097 15.715,1098 10.216,1099 29.594,1100 14.338,1101 1.751,1102 5.184,1103 25.312,1104 2.721,1105 15.512,1106 16.809,1107 11.051,1108 32.05,1109 15.504,1110 1.547,1111 4.725,1112 27.227,1113 2.262,1114 16.703,1115 18.224,1116 11.912,1117 34.518,1118 16.695,1119 1.224,1120 3.277,1121 29.147,1122 2.143,1123 17.883,1124 19.381,1125 12.755,1126 36.98,1127 17.875,1128 4431,1129 6954,1130 15.603,1131 28.29,1132 34.384,1133 34.776,1134 34.664,1135 33.988,1136 33.968,1137 40.288,1138 4.682,1139 94.541,1140 33.669,1141 5.353,1142 5.597,1143 6.746,1144 5.327,1145 5.291,1146 6.636,1147 3.925,1148 18.961,1149 5.29,1150 8.527,1151 1.495,1152 1.512,1153 1.507,1154 1.478,1155 1.477,1156 1.752,1157 0.204,1158 4.11,1159 1.464,1160 4.077,1161 4.117,1162 3.986,1163 4.004,1164 7.474,1165 3.994,1166 3.783,1167 3.83,1168 3.701,1169 3.678,1170 6.351,1171 3.678,1172 3.724,1173 3.768,1174 3.609,1175 3.603,1176 4.897,1177 3.594,1178 3.445,1179 3.481,1180 3.334,1181 3.264,1182 4.445,1183 3.269,1184 3.122,1185 3.177,1186 2.963,1187 2.957,1188 4.272,1189 2.95,1190 2.972,1191 3.034,1192 2.812,1193 2.808,1194 3.82,1195 2.802,1196 2.831,1197 2.928,1198 2.621,1199 2.635,1200 3.688,1201 2.609,1202 2.759,1203 2.846,1204 2.571,1205 2.555,1206 3.616,1207 2.553,1208 0.189,1209 0.156,1210 0.302,1211 0.187,1212 0.143,1213 4.353,1214 0.158,1215 3.597,1216 0.102,1217 6.944,1218 0.512,1219 4.291,1220 0.143,1221 3.291,1222 3.636,1223 2.341,1224 11.766,1225 3.29,1226 1.928,1227 1.893,1228 2.073,1229 2.032,1230 1.484,1231 2.047,1232 1.759,1233 1.715,1234 1.938,1235 1.898,1236 1.241,1237 1.913,1238 1.641,1239 1.592,1240 1.853,1241 1.804,1242 1.15,1243 1.821,1244 1.53,1245 1.475,1246 1.767,1247 1.684,1248 0.997,1249 1.715,1250 1.364,1251 1.315,1252 1.628,1253 1.573,1254 0.866,1255 1.588,1256 1.101,1257 1.048,1258 1.358,1259 1.328,1260 0.551,1261 1.334,1262 0.85,1263 0.793,1264 1.15,1265 1.11,1266 0.287,1267 1.126,1268 0.717,1269 0.636,1270 1.022,1271 0.984,1272 0.106,1273 1.004,1274 3.85,1276 5.142,1277 3.045,1278 6.635,1279 5.416,1280 8.235,1281 7.535,1282 9.904,1289 8.66,1290 6.068,1294 3.052,1300 26.246,1301 59.114,1302 140.441,1303 194.441,1304 222.215,1305 228.215,1306 228.215,1307 35.162,1308 6.725,1309 50.19,1310 50.19,1311 16,1312 12.323,1313 3.17,1314 2.585,1315 32.272,1316 67,1317 79,1318 0.23,1319 161.402,1320 287.36,1321 385.581,1322 6573,1324 14.656,1325 0.698,1326 0.587,1327 14.656,1328 12.319,1329 10.254,1330 0.446,1331 0.349,1332 7.975,1333 10.03,1334 7.821,1335 6.444,1336 10.254,1337 8.021,1338 9.004,1339 0.29,1340 0.208,1341 9.004,1342 6.449,1343 7.171,1344 0.175,1345 0.128,1346 7.171,1347 5.257,1348 6.246,1349 0.11,1350 0.078,1351 6.246,1352 4.42,1353 4.826,1354 0.071,1355 0.046,1356 4.826,1357 3.095,1358 0.36,1359 63.179,1360 0.253,1361 21.016,1362 0.632,1363 108,1364 255.53,1365 113.816,1366 249.164,1367 331.23,1368 232,1369 126,1370 230.779,1371 130.157,1372 235.021,1373 337.81,1374 222,1375 7.108} {0 CHEMBL298720,1 1.388,2 7.063,3 1.264,4 1.599,5 62.815,6 7.751,7 0.889,8 3.417,9 3.536,10 3.049,11 3.023,12 4.546,13 3.006,14 3.891,15 4.06,16 3.338,17 3.398,18 4.94,19 3.358,20 4.042,21 4.233,22 3.209,23 3.468,24 4.978,25 3.359,26 4.081,27 4.342,28 3.022,29 3.327,30 4.928,31 3.192,32 3.846,33 4.091,34 2.892,35 3.121,36 4.745,37 3.004,38 3.703,39 3.969,40 2.687,41 2.908,42 4.6,43 2.795,44 3.388,45 3.633,46 2.492,47 2.642,48 4.342,49 2.547,50 3.138,51 3.409,52 2.164,53 2.301,54 4.154,55 2.206,56 0.011,57 0.409,58 4.867,59 2.169,60 5.373,61 2.844,62 0.11,63 0.661,64 8.901,65 3.337,66 9.522,67 4.392,68 0.049,69 0.707,70 10.804,71 4.777,72 10.503,73 6.503,74 0.095,75 0.711,76 13.156,77 5.074,78 14.445,79 7.187,80 0.057,81 0.568,82 10.03,83 3.954,84 11.488,85 5.582,86 0.112,87 0.504,88 9.083,89 3.133,90 12.259,91 4.433,92 0.043,93 0.364,94 6.291,95 2.3,96 7.722,97 3.25,98 0.08,99 0.29,100 5.157,101 1.618,102 9.574,103 2.299,105 24,106 0.266,107 0.577,108 0.808,109 0.899,110 0.899,111 0.899,112 2.853,113 0.867,114 -2.98,115 -2.99,116 -2.88,118 48.1,124 1,140 4,141 3,143 3,149 1,156 1,168 7,171 1,172 3,180 8,186 4,194 5,198 5,206 1,210 4,221 1,222 3,234 1,246 1,247 1,270 238,271 11.223,272 11.223,273 11.223,274 11.223,275 11.223,276 9.335,277 8.381,278 6.863,279 11.465,280 8.938,281 8.938,282 8.938,283 8.938,284 8.938,285 6.216,286 13.558,287 3.31,288 9.307,289 3.367,290 1.751,291 0.546,292 0.074,293 0.074,294 0.074,295 3.536,299 1,300 1,301 251,302 1.732,305 38.183,306 70.929,310 60.521,313 1.195,314 5.358,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 33.5,326 113,327 4.41,328 3.018,329 6.186,330 3.927,331 2.934,332 4.337,333 0.522,334 9.242,335 2.917,336 3.963,337 2.727,338 5.543,339 3.527,340 2.59,341 3.514,343 7.554,344 2.434,345 3.549,346 2.222,347 5.01,348 3.089,349 2.118,350 2.984,352 5.988,353 2.045,354 3.118,355 1.618,356 4.411,357 2.605,358 1.618,359 2.427,361 4.361,362 1.598,363 2.899,364 1.435,365 3.621,366 2.359,367 1.414,368 2.091,370 3.019,371 1.333,372 2.585,373 1.22,374 3.428,375 2.083,376 1.158,377 1.62,379 2.552,380 1.069,381 2.181,382 0.714,383 3.162,384 1.671,385 0.692,386 1.026,388 1.599,389 0.677,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.28,400 0.128,401 2.728,402 0.903,403 -0.062,404 -0.081,406 -0.164,407 -0.06,408 0.882,409 -0.615,410 2.252,411 0.367,412 -0.618,413 -0.927,415 -1.582,416 -0.608,417 0.705,418 -0.618,419 2,420 0.264,421 -0.686,422 -0.945,424 -1.732,425 -0.65,426 0.387,427 -1.059,428 1.867,429 -0.128,430 -1.097,431 -1.588,433 -2.879,434 -1.059,435 -0.002,436 -1.249,437 1.293,438 -0.45,439 -1.414,440 -1.858,442 -3.395,443 -1.36,444 -0.118,445 -1.618,446 1.072,447 -0.691,448 -1.618,449 -2.427,451 -4.372,452 -1.478,453 -0.19,454 -1.656,455 1,456 -0.713,457 -1.67,458 -2.479,460 -4.404,461 -1.614,462 7.7,463 0.481,464 0.256,465 0.016,466 24.75,467 1.547,468 14,469 0.875,470 10.75,471 0.672,472 7.781,473 0.486,474 15.7,475 0.581,476 13.54,477 0.846,478 5.017,479 0.314,480 2.899,481 0.181,484 0.247,487 0.858,488 1.331,489 0.714,490 1.011,491 0.682,492 0.878,493 1.36,494 0.834,495 0.994,496 0.785,497 1.055,498 0.836,499 0.758,500 1.131,501 1.144,502 1.262,503 0.942,504 1.25,505 0.863,506 0.927,507 0.988,508 0.994,509 0.884,510 1.003,511 0.782,512 1.099,513 0.941,514 1.081,515 0.844,516 1.039,517 1.178,518 0.814,519 1.036,520 0.866,521 1.264,522 0.922,523 1.046,524 1.191,525 0.951,526 1.054,527 0.919,528 1.004,529 1.386,530 0.821,531 1.06,532 0.821,533 1.334,534 0.888,535 2.5,537 1.111,538 0.66,539 0.551,540 0.195,541 0.181,542 0.059,543 0.029,544 0.007,545 2221,546 5647,547 2.213,548 40.7,550 6,551 1,552 4,558 1.547,559 2.182,560 2.877,561 -0.795,565 1,567 37.468,568 1.388,569 3.004,570 4.208,571 4.681,572 4.681,573 4.681,574 2.311,575 3.5,576 3.975,577 2.966,578 355.895,579 6.671,580 3035.36,582 1,585 128.382,586 0.811,587 3.975,588 0.139,590 0.046,591 0.033,592 0.034,593 0.014,594 0.016,595 0.007,596 0.005,597 0.003,598 0.298,599 1,600 1,602 64.378,603 0.032,604 -0.282,605 0.077,606 -0.108,607 0.098,608 -0.029,609 -0.192,610 0.257,611 -0.131,612 0.105,613 -0.176,614 0.015,615 -0.092,616 -0.203,617 -0.264,618 -0.286,619 -0.192,620 -0.292,621 -0.03,622 -0.028,623 0.021,624 0.011,625 0.011,626 0.02,627 0.049,628 -0.194,629 0.049,630 -0.087,631 0.063,632 -0.032,633 -0.006,634 0.16,636 0.091,637 -0.124,638 0.055,639 0.003,640 -0.242,641 0.054,642 -0.094,643 0.151,644 -0.03,645 0.07,646 0.207,647 0.006,648 0.098,649 0.14,650 0.055,651 0.648,652 1.132,653 0.938,654 9.484,655 0.994,656 1.117,657 1.754,658 3.078,659 0.706,660 2.944,661 3.219,662 3.466,663 3.714,664 3.85,665 3.829,666 3.932,667 4.007,668 4.025,669 3.784,670 4.362,671 0.673,672 209.27,673 2.944,674 4.443,675 5.273,676 6.125,677 6.969,678 7.825,679 8.674,680 9.532,681 10.384,682 11.243,683 11.1,691 1,693 2,698 2,699 9,700 2,704 1,705 1,706 16,724 27,726 16,727 1,728 18,730 29,731 13,733 12,734 3,735 3,739 3,740 4,753 12,754 1,769 1,772 11,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,832 2,840 16,846 1,869 7.333,870 4.85,871 3.528,872 1.521,874 3.079,875 1.493,876 1.038,877 2.242,878 9.327,879 3.296,880 3.927,881 4.539,882 5.151,883 5.627,884 5.88,885 6.306,886 6.731,887 7.109,888 7.029,889 0.8,890 20,891 5.856,893 2.432,894 7.531,895 11.366,897 9.229,899 2.031,900 32.5,901 0.004,904 129.482,905 93.15,906 35.47,911 93.15,912 129.482,913 35.47,915 2.106,916 46.952,917 89.274,918 37.373,919 11.771,920 70.627,922 129.482,923 128.621,927 129.482,931 39.766,932 55.284,933 33.571,935 129.482,936 35.47,937 93.15,940 129.482,941 10.437,942 84.612,944 33.571,945 129.482,946 35.47,947 93.15,949 0.567,950 0.326,951 0.182,952 0.089,953 13,954 4,955 0.069,956 2,957 1,958 1.133,959 3.016,960 108.596,961 0.133,962 15,963 64,968 9.254,969 3.875,970 1.888,971 2.407,972 33.571,973 17.762,974 8.163,978 1.263,979 2.053,981 258.103,982 26,994 26.84,995 30.156,996 0.292,997 0.632,998 0.885,999 0.984,1000 0.984,1001 0.984,1002 4.466,1003 0.618,1004 5.209,1005 1.599,1006 3.892,1007 4.61,1008 0.434,1009 5.943,1010 3.823,1011 5.663,1012 -0.062,1013 6.706,1014 1.372,1015 3.219,1016 4.227,1018 6.629,1019 3.152,1020 6.948,1021 -0.618,1022 8.3,1023 -0.164,1024 5.398,1025 6.857,1026 0.138,1027 9.719,1028 5.28,1029 8.274,1030 -0.686,1031 9.954,1032 -1.582,1033 5.602,1034 7.393,1036 11.267,1037 5.49,1038 9.632,1039 -1.097,1040 11.648,1041 -1.732,1042 7.168,1043 9.378,1044 0.039,1045 13.81,1046 7.02,1047 11.013,1048 -1.414,1049 13.369,1050 -2.879,1051 7.799,1052 10.37,1054 15.72,1055 7.659,1056 12.412,1057 -1.618,1058 15.109,1059 -3.395,1060 9.089,1061 12.07,1062 0.011,1063 18.064,1064 8.925,1065 2.934,1066 -1.67,1067 16.862,1068 -4.372,1069 9.935,1070 13.297,1072 20.138,1073 9.779,1074 2.59,1075 9.242,1076 18.627,1077 -4.404,1078 11.099,1079 14.865,1080 0.003,1081 22.403,1082 10.928,1083 2.118,1084 7.554,1085 20.4,1086 4.337,1087 12.053,1088 16.212,1090 24.553,1091 11.889,1092 1.618,1093 5.988,1094 22.18,1095 3.514,1096 13.16,1097 17.721,1098 0.001,1099 26.788,1100 12.987,1101 1.414,1102 4.361,1103 23.966,1104 2.984,1105 14.168,1106 19.127,1108 28.974,1109 14,1110 1.158,1111 3.019,1112 25.756,1113 2.427,1114 15.251,1115 20.61,1117 31.198,1118 15.078,1119 0.692,1120 2.552,1121 27.55,1122 2.091,1123 16.287,1124 22.046,1126 33.401,1127 16.118,1128 2109,1129 3431,1130 12.712,1131 19.063,1132 26.535,1133 26.321,1134 26.176,1135 26.254,1136 26.286,1137 37.851,1138 1.043,1139 71.372,1140 25.295,1141 5.177,1142 5.018,1143 5.873,1144 4.965,1145 4.934,1146 7.337,1147 1.043,1148 15.561,1149 4.917,1151 1.474,1152 1.462,1153 1.454,1154 1.459,1155 1.46,1156 2.103,1157 0.058,1158 3.965,1159 1.405,1160 4.088,1161 4.12,1162 4.041,1163 4.024,1164 5.005,1165 4.024,1166 3.881,1167 3.944,1168 3.826,1169 3.68,1170 4.93,1171 3.709,1172 3.439,1173 3.493,1174 3.356,1175 3.317,1176 4.431,1177 3.32,1178 3.053,1179 3.113,1180 2.937,1181 2.946,1182 3.894,1183 2.936,1184 2.893,1185 2.972,1186 2.742,1187 2.731,1188 3.662,1189 2.722,1190 2.498,1191 2.585,1192 2.357,1193 2.322,1194 3.42,1195 2.316,1196 2.475,1197 2.572,1198 2.268,1199 2.277,1200 3.335,1201 2.269,1202 2.374,1203 2.47,1204 2.194,1205 2.161,1206 3.182,1207 2.152,1208 0.245,1209 0.168,1210 0.344,1211 0.218,1212 0.163,1213 4.41,1214 0.241,1215 3.018,1216 0.029,1217 6.186,1218 0.513,1219 3.927,1220 0.162,1221 2.934,1222 4.337,1223 0.522,1224 9.242,1225 2.917,1226 2.054,1227 2.032,1228 2.136,1229 2.13,1230 1.284,1231 2.134,1232 1.605,1233 1.546,1234 1.759,1235 1.816,1236 0.926,1237 1.802,1238 1.34,1239 1.284,1240 1.518,1241 1.529,1242 0.53,1243 1.527,1244 1.259,1245 1.187,1246 1.43,1247 1.486,1248 0.382,1249 1.479,1250 1.048,1251 0.999,1252 1.27,1253 1.192,1254 0.331,1255 1.222,1256 0.757,1257 0.683,1258 1.084,1259 0.972,1260 0.164,1261 1.017,1262 0.473,1263 0.384,1264 0.833,1265 0.731,1267 0.769,1268 0.326,1269 0.22,1270 0.719,1271 0.585,1273 0.64,1274 3.611,1276 4.89,1277 2.398,1278 6.368,1279 4.443,1280 7.939,1281 6.26,1282 9.559,1290 0.852,1300 18.171,1301 37.468,1302 81.098,1303 113.627,1304 126.382,1305 126.382,1306 126.382,1307 12.901,1308 6.248,1309 30.71,1310 30.71,1311 17,1312 11.795,1313 4.087,1314 3.17,1315 21.898,1316 42,1317 32,1318 0.264,1319 113.182,1320 178.2,1321 267.924,1322 3668,1324 10.795,1325 0.675,1326 0.547,1327 10.795,1328 8.745,1329 7.916,1330 0.44,1331 0.289,1332 5.139,1333 7.668,1334 5.019,1335 4.184,1336 7.916,1337 5.201,1338 6.87,1339 0.286,1340 0.158,1341 6.87,1342 3.792,1343 5.79,1344 0.187,1345 0.085,1346 5.79,1347 2.629,1348 4.902,1349 0.123,1350 0.046,1351 4.902,1352 1.824,1353 3.655,1354 0.079,1355 0.025,1356 3.655,1357 1.158,1358 0.404,1359 49.107,1360 0.28,1361 16.231,1362 0.749,1363 84,1364 218.935,1365 88.912,1366 220.318,1367 307.85,1368 208,1369 97,1370 230.042,1371 102.69,1372 238.753,1373 341.47,1374 223,1375 5.268} {0 CHEMBL299186,1 1.633,2 7.222,3 1.806,4 3.262,5 64.416,6 7.848,7 0.55,8 3.565,9 3.673,10 3.189,11 3.077,12 4.693,13 3.085,14 4.107,15 4.264,16 3.53,17 3.465,18 5.252,19 3.444,20 4.321,21 4.528,22 3.486,23 3.522,24 5.336,25 3.471,26 4.291,27 4.485,28 3.419,29 3.375,30 5.478,31 3.348,32 4.127,33 4.334,34 3.185,35 3.274,36 5.202,37 3.216,38 4.047,39 4.275,40 3.125,41 3.201,42 5.179,43 3.131,44 3.902,45 4.14,46 2.926,47 3.077,48 4.97,49 2.992,50 3.684,51 3.958,52 2.482,53 2.78,54 4.641,55 2.639,56 0.037,57 0.475,58 5.716,59 2.652,60 5.588,61 3.325,62 0.34,63 0.751,64 11.664,65 4.414,66 23.523,67 5.759,68 0.226,69 0.828,70 16.184,71 5.894,72 26.555,73 7.836,74 0.468,75 0.74,76 16.522,77 5.176,78 47.92,79 6.517,80 0.285,81 0.66,82 13.845,83 4.577,84 33.129,85 5.917,86 0.286,87 0.631,88 12.903,89 4.222,90 34.387,91 5.803,92 0.193,93 0.563,94 11.034,95 3.543,96 25.174,97 5.039,98 0.166,99 0.45,100 9.166,101 2.812,102 18.965,103 4.252,104 2,105 27,106 0.308,107 0.672,108 0.849,109 0.898,110 0.898,111 0.898,112 2.961,113 0.896,114 -2.28,115 -2.32,116 -2.28,118 41.9,120 3,126 1,140 2,141 1,143 2,144 1,149 1,155 1,156 1,168 4,171 4,172 5,180 4,186 4,194 3,197 3,198 7,206 3,210 4,218 1,221 2,222 6,234 2,246 1,247 2,270 354,271 12.483,272 12.483,273 12.483,274 12.483,275 12.483,276 11.043,277 12.315,278 7.55,279 12.828,280 9.893,281 9.893,282 9.893,283 9.893,284 9.893,285 7.737,286 12.62,287 3.573,288 10.428,289 3.321,290 1.392,291 0.452,292 0.194,293 0.194,294 0.194,295 3.642,299 1,300 1,301 284,302 2.449,305 45.239,306 81.805,310 70.22,313 1.025,314 18.06,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 130,327 4.324,328 3.778,329 6.519,330 4.02,331 3.054,332 3.876,333 2.19,334 10.253,335 2.954,336 4.139,337 3.289,338 6.024,339 3.699,340 2.767,341 3.692,342 0.797,343 8.571,344 2.56,345 3.367,346 2.434,347 5.2,348 3.036,349 2.107,350 2.572,352 6.249,353 1.952,354 3.089,355 2.205,356 4.318,357 2.614,358 1.656,359 2.25,361 4.098,362 1.612,363 2.943,364 1.718,365 4.068,366 2.614,367 1.618,368 2.1,370 3.674,371 1.568,372 2.571,373 1.325,374 3.59,375 2.254,376 1.27,377 1.587,379 2.823,380 1.248,381 2.295,382 1.135,383 3.358,384 1.882,385 0.951,386 1.205,388 2.204,389 0.881,390 2.118,391 1.07,392 3.144,393 1.657,394 0.704,395 0.965,397 1.659,398 0.663,399 2.113,400 0.618,401 3,402 1.553,403 0.618,404 0.927,406 1.372,407 0.577,408 1.133,409 0.6,410 2.563,411 0.848,412 -0.116,413 -0.135,415 -0.284,416 -0.11,417 0.683,418 -0.138,419 2.297,420 0.357,421 -0.618,422 -0.73,424 -1.478,425 -0.6,426 0.631,427 -0.499,428 2,429 0.244,430 -0.738,431 -0.917,433 -1.828,434 -0.716,435 0.299,436 -0.73,437 1.899,438 -0.092,439 -1.087,440 -1.447,442 -2.606,443 -1.065,444 0.087,445 -1.01,446 1.547,447 -0.287,448 -1.239,449 -1.694,451 -2.892,452 -1.192,453 -0.118,454 -1.258,455 1.179,456 -0.616,457 -1.578,458 -1.895,460 -4.355,461 -1.476,462 8.367,463 0.465,464 0.329,465 0.018,466 24,467 1.333,468 11.5,469 0.639,470 12.5,471 0.694,472 11.689,473 0.649,474 19.233,475 0.62,476 14.477,477 0.804,478 4.672,479 0.26,480 4.171,481 0.232,482 0.04,484 0.287,487 0.749,488 1.503,489 0.694,490 1.199,491 0.535,492 0.979,493 0.682,494 0.992,495 0.894,496 0.982,497 0.539,498 0.977,499 1.004,500 1.067,501 0.919,502 1.116,503 0.736,504 1.02,505 1.541,506 0.888,507 1.133,508 0.971,509 1.487,510 0.986,511 1.43,512 1.003,513 1.147,514 0.999,515 1.514,516 1.024,517 0.985,518 0.899,519 0.991,520 0.915,521 1.376,522 0.953,523 0.948,524 1.062,525 1.046,526 0.958,527 1.227,528 1.003,529 0.658,530 0.976,531 1.135,532 1.023,533 0.686,534 1.131,535 2.5,537 2,538 0.84,539 0.806,540 0.351,541 0.205,542 0.096,543 0.039,544 0.007,545 2859,546 7946,547 2.154,548 41.9,549 2,550 3,551 1,552 3,554 2,555 2,558 1.588,559 2.077,560 2.901,561 -0.709,563 1,564 1,565 1,567 50.614,568 1.633,569 3.562,570 4.503,571 4.761,572 4.761,573 4.761,574 2.241,575 3.725,576 4.147,577 2.99,578 457.507,579 7.041,580 4287.74,582 1,584 1,585 153.58,586 1.135,587 4.128,588 0.125,590 0.074,591 0.034,592 0.037,593 0.019,594 0.012,595 0.007,596 0.005,597 0.003,598 0.316,599 0.83,600 1,601 0.463,602 75.571,603 -0.033,604 -0.347,605 0.074,606 -0.165,607 0.009,608 -0.051,609 0.261,610 0.105,611 -0.023,612 -0.005,613 0.128,614 -0.06,615 -0.059,616 -0.126,617 0.038,618 -0.119,619 0.024,620 -0.031,621 -0.065,622 0.028,623 -0.101,624 -0.027,625 -0.063,626 -0.068,627 -0.25,628 -0.079,629 -0.154,630 -0.029,631 -0.194,632 -0.067,633 -0.008,634 0.053,635 -0.002,636 0.042,637 -0.033,638 0.019,639 -0.143,640 -0.088,641 -0.079,642 -0.004,643 -0.129,644 -0.024,645 -0.034,646 0.001,647 -0.151,648 -0.1,649 -0.074,650 -0.141,651 2.061,652 4.864,653 0.833,654 10.148,655 1.012,656 1.129,657 1.051,658 1.104,659 0.669,660 3.045,661 3.332,662 3.611,663 3.85,664 3.97,665 3.951,666 3.989,667 4.06,668 4.078,669 3.85,670 4.521,671 0.649,672 243.29,673 3.045,674 4.554,675 5.398,676 6.26,677 7.119,678 7.985,679 8.849,680 9.717,681 10.582,682 11.451,683 9.7,691 1,693 2,699 6,700 2,704 2,705 1,706 11,720 1,724 31,726 12,728 20,730 33,731 13,733 8,736 1,739 3,740 4,748 4,751 4,753 9,754 4,756 1,761 1,765 1,769 1,772 13,773 4,775 5,778 1,779 3,784 0.667,785 2,795 1,801 1,802 2,806 1,832 2,840 18,846 3,848 1,850 1,862 6.5,865 1,867 1,869 8.667,870 5.517,871 4,872 1.926,874 1.901,875 1.297,876 0.983,877 3.01,878 8.304,879 3.314,880 3.845,881 4.384,882 4.871,883 5.135,884 5.194,885 5.319,886 5.579,887 5.84,888 5.837,889 0.8,890 25,891 6.649,893 2.835,894 7.796,895 12.656,897 10.381,899 2.296,900 41.333,901 0.001,904 153.024,905 75.022,906 35.47,908 36.145,911 75.022,912 189.169,913 35.47,915 7.604,916 28,917 102.648,918 36.936,919 18.534,920 105.94,922 153.024,923 110.492,924 36.145,927 129.482,928 59.687,931 38.973,932 37.948,933 33.571,935 153.024,936 71.615,937 75.022,940 153.024,941 20.308,942 56.612,944 69.716,945 153.024,946 71.615,947 75.022,949 0.571,950 0.342,951 0.19,952 0.091,953 14,954 5,955 0.061,956 2,957 1,958 1.133,959 3.124,960 129.661,961 0.133,962 15,963 75.059,968 11.27,969 4.807,970 2.264,972 69.716,973 10.205,974 8.16,978 2.06,979 1.338,981 299.661,982 26.5,987 11.864,991 -0.394,994 31.378,995 34.99,996 0.33,997 0.719,998 0.909,999 0.961,1000 0.961,1001 0.961,1002 4.519,1003 0.704,1004 5.352,1005 2.204,1006 4.007,1007 4.527,1008 2.34,1009 6.133,1010 3.906,1011 5.684,1012 0.618,1013 6.887,1014 1.659,1015 3.434,1016 4.086,1017 1.784,1018 6.986,1019 3.287,1020 6.96,1021 -0.116,1022 8.529,1023 1.372,1024 5.557,1025 6.612,1026 3.536,1027 10.1,1028 5.354,1029 8.275,1030 -0.618,1031 10.238,1032 -0.284,1033 5.889,1034 7.088,1035 3.553,1036 11.828,1037 5.637,1038 9.626,1039 -0.738,1040 11.99,1041 -1.478,1042 7.409,1043 8.986,1044 4.944,1045 14.421,1046 7.117,1047 11.003,1048 -1.087,1049 13.771,1050 -1.828,1051 8.157,1052 9.885,1053 5.262,1054 16.485,1055 7.821,1056 12.398,1057 -1.239,1058 15.572,1059 -2.606,1060 9.43,1061 11.51,1062 6.425,1063 18.902,1064 9.06,1065 3.054,1066 -1.578,1067 17.386,1068 -2.892,1069 10.368,1070 12.616,1071 6.916,1072 21.105,1073 9.959,1074 2.767,1075 10.253,1076 19.21,1077 -4.355,1078 11.538,1079 14.109,1080 7.938,1081 23.458,1082 11.098,1083 2.107,1084 8.571,1085 21.042,1086 3.876,1087 12.564,1088 15.321,1089 8.536,1090 25.723,1091 12.088,1092 1.656,1093 6.249,1094 22.879,1095 3.692,1096 13.691,1097 16.746,1098 9.47,1099 28.053,1100 13.185,1101 1.618,1102 4.098,1103 24.721,1104 2.572,1105 14.757,1106 18.013,1107 10.136,1108 30.346,1109 14.219,1110 1.27,1111 3.674,1112 26.567,1113 2.25,1114 15.867,1115 19.402,1116 11.015,1117 32.669,1118 15.3,1119 0.951,1120 2.823,1121 28.416,1122 2.1,1123 16.952,1124 20.701,1125 11.724,1126 34.977,1127 16.354,1128 2752,1129 4694,1130 13.811,1131 20.733,1132 30.069,1133 30.462,1134 29.843,1135 29.471,1136 29.49,1137 38.349,1138 5.973,1139 81.806,1140 28.027,1141 5.275,1142 5.778,1143 6.208,1144 5.126,1145 5.054,1146 6.876,1147 3.936,1148 17.124,1149 4.954,1150 4.73,1151 1.503,1152 1.523,1153 1.492,1154 1.474,1155 1.475,1156 1.917,1157 0.299,1158 4.09,1159 1.401,1160 4.002,1161 4.039,1162 3.945,1163 3.889,1164 7.434,1165 3.894,1166 3.891,1167 3.948,1168 3.843,1169 3.672,1170 4.941,1171 3.711,1172 3.503,1173 3.563,1174 3.374,1175 3.373,1176 4.875,1177 3.361,1178 3.242,1179 3.264,1180 3.159,1181 2.986,1182 4.373,1183 3.015,1184 2.959,1185 3.004,1186 2.843,1187 2.707,1188 3.938,1189 2.744,1190 2.759,1191 2.824,1192 2.603,1193 2.635,1194 3.757,1195 2.624,1196 2.558,1197 2.654,1198 2.385,1199 2.321,1200 3.405,1201 2.322,1202 2.474,1203 2.57,1204 2.266,1205 2.268,1206 3.353,1207 2.26,1208 0.216,1209 0.189,1210 0.326,1211 0.201,1212 0.153,1213 4.324,1214 0.194,1215 3.778,1216 0.109,1217 6.519,1218 0.513,1219 4.02,1220 0.148,1221 3.054,1222 3.876,1223 2.19,1224 10.253,1225 2.954,1226 1.949,1227 1.916,1228 2.083,1229 2.074,1230 1.391,1231 2.077,1232 1.536,1233 1.492,1234 1.734,1235 1.807,1236 0.85,1237 1.753,1238 1.49,1239 1.432,1240 1.628,1241 1.666,1242 0.705,1243 1.689,1244 1.291,1245 1.226,1246 1.454,1247 1.526,1248 0.641,1249 1.513,1250 1.099,1251 1.035,1252 1.381,1253 1.34,1254 0.342,1255 1.352,1256 0.805,1257 0.743,1258 1.097,1259 1.041,1260 0.288,1261 1.051,1262 0.618,1263 0.598,1264 0.887,1265 0.915,1267 0.9,1268 0.491,1269 0.411,1270 0.731,1271 0.797,1273 0.804,1274 3.714,1276 5.004,1277 2.398,1278 6.5,1279 4.443,1280 8.092,1281 6.293,1282 9.735,1290 2.792,1292 5.506,1294 -0.197,1300 20.128,1301 50.614,1302 110.419,1303 139.58,1304 147.58,1305 147.58,1306 147.58,1307 23.362,1308 6.404,1309 57.01,1310 57.01,1311 17,1312 11.996,1313 3.7,1314 2.907,1315 25.684,1316 48,1317 40,1318 0.265,1319 124.102,1320 209.32,1321 294.568,1322 4490,1324 12.372,1325 0.687,1326 0.546,1327 12.372,1328 9.821,1329 8.843,1330 0.442,1331 0.299,1332 5.869,1333 8.422,1334 5.795,1335 4.777,1336 8.843,1337 5.971,1338 7.657,1339 0.284,1340 0.158,1341 7.657,1342 4.274,1343 6.602,1344 0.183,1345 0.086,1346 6.602,1347 3.111,1348 5.561,1349 0.121,1350 0.049,1351 5.561,1352 2.235,1353 4.064,1354 0.078,1355 0.028,1356 4.064,1357 1.479,1358 0.401,1359 55.983,1360 0.269,1361 17.922,1362 0.764,1363 94,1364 304.406,1365 106.332,1366 287.616,1367 391.58,1368 270,1369 110,1370 288.099,1371 122.335,1372 287.281,1373 420.66,1374 270,1375 5.796} {0 CHEMBL299224,1 1.797,2 10.577,3 3.801,4 14.444,5 88.894,6 8.52,7 0.444,8 3.865,9 3.961,10 3.504,11 3.358,12 5.149,13 3.378,14 4.384,15 4.527,16 3.893,17 3.685,18 6.136,19 3.69,20 4.583,21 4.782,22 3.83,23 3.766,24 5.841,25 3.747,26 4.606,27 4.811,28 3.83,29 3.682,30 5.933,31 3.699,32 4.53,33 4.703,34 3.845,35 3.662,36 5.883,37 3.696,38 4.544,39 4.716,40 3.827,41 3.717,42 5.976,43 3.701,44 4.57,45 4.777,46 3.793,47 3.727,48 5.959,49 3.671,50 4.57,51 4.811,52 3.635,53 3.622,54 5.852,55 3.572,56 0.246,57 0.795,58 6.719,59 4.21,60 41.478,61 4.421,62 0.976,63 1.534,64 14.693,65 6.62,66 170.365,67 7.345,68 0.721,69 1.311,70 20.501,71 7.786,72 97.121,73 9.458,74 0.944,75 1.362,76 22.585,77 7.425,78 135.653,79 8.249,80 0.864,81 1.272,82 19.441,83 6.859,84 108.031,85 7.16,86 1.004,87 1.305,88 19.127,89 7.246,90 114.441,91 8.269,92 0.952,93 1.324,94 20.612,95 8.163,96 90.571,97 10.285,98 0.804,99 1.451,100 22.416,101 8.151,102 121.634,103 9.664,104 36,105 36,106 0.315,107 0.649,108 0.788,109 0.867,110 0.867,111 0.867,112 3.304,113 0.875,114 -4.52,115 -4.45,116 -4.19,118 41.9,120 3,124 1,131 1,140 6,141 3,143 2,153 1,154 1,162 1,163 1,167 1,168 10,169 1,172 6,175 1,177 1,180 9,181 1,186 10,191 1,194 7,195 1,198 9,203 1,206 6,209 1,210 5,211 1,218 7,221 2,222 3,223 1,225 1,229 8,233 1,234 2,237 1,242 8,247 2,255 7,256 2,259 3,264 2,267 3,268 4,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.431,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.123,289 3.629,290 1.727,291 0.936,292 0.483,293 0.483,294 0.483,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 48.979,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 60.5,326 275,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.026,336 4.287,337 3.999,338 6.494,339 3.948,340 2.982,341 3.669,342 2.373,343 10.157,344 2.78,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.234,358 2.235,359 2.71,361 5.184,362 2.179,363 3.252,364 2.347,365 4.601,366 2.777,367 1.837,368 2.489,370 4.714,371 1.708,372 2.806,373 1.92,374 4.097,375 2.606,376 1.655,377 1.918,379 3.696,380 1.557,381 2.788,382 1.726,383 3.709,384 2.319,385 1.372,386 1.818,388 3.224,389 1.286,390 2.574,391 1.454,392 3.498,393 2.15,394 1.185,395 1.603,397 2.629,398 1.134,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.984,412 1,413 1.441,415 2.136,416 0.983,417 1.932,418 1,419 3.041,420 1.625,421 0.673,422 0.816,424 1.556,425 0.634,426 1.234,427 0.814,428 2.73,429 1.094,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.414,439 -0.549,440 -0.613,442 -1.231,443 -0.517,444 0.744,445 0.51,446 2.288,447 0.325,448 -0.658,449 -0.876,451 -1.549,452 -0.645,453 0.625,454 0.504,455 2,456 0.189,457 -0.797,458 -1,460 -2,461 -0.7,462 11.657,463 0.448,464 0.71,465 0.027,466 31,467 1.192,468 15,469 0.577,470 16,471 0.615,472 20.212,473 0.777,474 29.743,475 0.692,476 26.149,477 1.006,478 6.559,479 0.252,480 5.817,481 0.224,482 0.131,483 0.043,484 0.214,485 3,487 0.605,488 0.959,489 0.652,490 1.091,491 0.638,492 0.966,493 0.487,494 0.806,495 0.75,496 1.077,497 0.379,498 1.06,499 0.749,500 0.891,501 0.832,502 1.005,503 0.65,504 0.979,505 1.155,506 1.025,507 1.02,508 0.924,509 1.028,510 0.898,511 1.188,512 0.957,513 1.029,514 0.916,515 0.942,516 0.899,517 0.815,518 0.812,519 1.046,520 1.005,521 0.793,522 1.113,523 0.453,524 0.97,525 0.801,526 1.127,527 0.481,528 1.15,529 0.938,530 1.25,531 1.013,532 1.178,533 0.982,534 1.143,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 30837,547 1.943,548 39.5,549 2,550 8,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.256,563 1,567 77.274,568 1.797,569 3.699,570 4.49,571 4.944,572 4.944,573 4.944,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,582 1,584 1,585 233.329,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.003,604 -0.022,605 0.01,606 0.006,607 -0.079,608 0.007,609 0.348,610 0.23,611 0.071,612 -0.03,613 0.423,614 -0.095,615 -0.061,616 -0.135,617 0.058,618 -0.031,619 -0.013,620 0.037,621 -0.202,622 -0.08,623 -0.045,624 0.028,625 -0.148,626 0.067,627 -0.232,628 -0.063,629 -0.105,630 0.036,631 -0.152,632 0.032,633 0.065,634 0.096,635 -0.153,636 -0.026,637 -0.023,638 -0.159,639 0.271,640 -0.111,641 0.117,642 -0.124,643 0.174,644 -0.106,645 -0.066,646 -0.211,647 -0.009,648 -0.174,649 -0.06,650 -0.095,651 5.711,652 4.961,653 0.462,654 26.083,655 1.039,656 1.148,657 3.294,658 10.85,659 0.652,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.653,672 366.37,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 4.7,692 1,693 1,699 8,700 1,704 3,706 12,709 1,724 43,726 14,727 1,728 27,730 44,731 18,733 11,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 13,754 5,756 2,761 1,764 1,765 2,769 1,770 3,772 17,773 8,774 1,775 8,779 2,784 1,785 3,795 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7,864 1,865 1,867 1,869 14.417,870 7.529,871 5.806,872 2.506,874 2.101,875 1.321,876 0.914,877 7.024,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.035,893 4.608,894 8.503,895 17.226,897 13.378,899 3.003,900 78.083,903 1,904 188.338,905 108.131,906 36.185,908 79.047,909 44.88,911 108.131,912 267.385,913 81.066,915 12.196,916 56.857,917 111.823,918 103.151,920 164.795,921 7.76,922 188.338,923 144.317,924 123.927,927 164.795,928 147.47,931 57.45,932 70.081,933 16.786,935 233.218,936 115.232,937 108.131,940 196.097,941 25.419,942 74.952,944 160.113,945 188.338,946 160.113,947 108.131,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.182,956 8,958 1,959 3.736,960 199.214,962 12,963 113.457,968 19.775,969 9.235,970 6.367,972 160.113,973 11.063,974 3.884,978 0.041,980 42.683,981 456.582,982 35,987 10.457,990 3.978,991 -0.647,994 44.676,995 49.381,996 0.331,997 0.682,998 0.827,999 0.911,1000 0.911,1001 0.911,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.188,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.676,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.02,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.48,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.211,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.454,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.374,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.522,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.532,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.643,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.694,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.791,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.864,1128 7498,1129 15572,1130 17.277,1131 28.04,1132 40.219,1133 40.634,1134 39.817,1135 39.772,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.356,1141 5.384,1142 6.46,1143 6.943,1144 5.235,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.026,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.384,1160 3.997,1161 4.024,1162 3.959,1163 3.923,1164 8.513,1165 3.926,1166 3.814,1167 3.852,1168 3.764,1169 3.714,1170 7.999,1171 3.719,1172 3.728,1173 3.776,1174 3.601,1175 3.569,1176 7.999,1177 3.564,1178 3.432,1179 3.461,1180 3.394,1181 3.157,1182 7.474,1183 3.197,1184 3.33,1185 3.37,1186 3.283,1187 3.068,1188 6.351,1189 3.104,1190 3.132,1191 3.182,1192 3.062,1193 2.909,1194 5.001,1195 2.934,1196 2.865,1197 2.925,1198 2.697,1199 2.735,1200 4.806,1201 2.715,1202 2.854,1203 2.915,1204 2.687,1205 2.553,1206 4.624,1207 2.584,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.2,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.026,1226 1.953,1227 1.931,1228 2.037,1229 2.046,1230 1.276,1231 2.042,1232 1.787,1233 1.753,1234 1.948,1235 1.912,1236 1.148,1237 1.915,1238 1.704,1239 1.652,1240 1.899,1241 1.893,1242 0.941,1243 1.904,1244 1.305,1245 1.268,1246 1.554,1247 1.609,1248 0.77,1249 1.577,1250 1.159,1251 1.124,1252 1.246,1253 1.455,1254 0.318,1255 1.37,1256 1.024,1257 0.975,1258 1.202,1259 1.298,1260 0.251,1261 1.255,1262 0.886,1263 0.821,1264 1.181,1265 1.111,1266 0.218,1267 1.107,1268 0.758,1269 0.71,1270 1.085,1271 1.062,1272 0.208,1273 1.106,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.884,1289 8.581,1290 1.097,1292 5.205,1296 -4.461,1300 28.078,1301 77.274,1302 159.065,1303 193.065,1304 212.574,1305 212.574,1306 212.574,1307 80.371,1308 6.538,1309 71.78,1310 71.78,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 174.399,1320 318.9,1321 417.292,1322 4880,1323 7,1324 18.993,1325 0.731,1326 0.528,1327 16.493,1328 13.739,1329 12.376,1330 0.458,1331 0.292,1332 7.707,1333 11.647,1334 7.63,1335 6.297,1336 11.165,1337 7.875,1338 11.437,1339 0.318,1340 0.151,1341 9.479,1342 5.438,1343 7.869,1344 0.192,1345 0.084,1346 6.907,1347 3.449,1348 6.108,1349 0.125,1350 0.044,1351 5.575,1352 2.178,1353 4.914,1354 0.082,1355 0.023,1356 4.359,1357 1.388,1358 0.42,1359 79.615,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 631.244,1365 153.432,1366 519.55,1367 657.24,1368 478,1369 140,1370 442.984,1371 159.621,1372 423.716,1373 624.92,1374 396,1375 8.523} {0 CHEMBL299309,1 1.587,2 19.472,3 6.072,4 36.864,5 201.505,6 7.39,7 0.386,8 4.691,9 4.808,10 4.228,11 4.205,12 5.794,13 4.179,14 5.255,15 5.432,16 4.593,17 4.62,18 6.363,19 4.56,20 5.59,21 5.808,22 4.741,23 4.835,24 6.61,25 4.751,26 5.702,27 5.918,28 4.77,29 4.918,30 6.714,31 4.828,32 5.804,33 6.022,34 4.834,35 4.973,36 6.931,37 4.869,38 5.889,39 6.138,40 4.777,41 4.953,42 6.984,43 4.829,44 5.815,45 6.066,46 4.624,47 4.865,48 6.827,49 4.728,50 5.702,51 5.962,52 4.583,53 4.762,54 6.691,55 4.631,56 0.113,57 1.424,58 21.34,59 9.495,60 25.835,61 12.459,62 0.604,63 2.334,64 41.354,65 15.677,66 96.342,67 21.817,68 1.029,69 3,70 63.553,71 21.892,72 126.95,73 30.617,74 0.911,75 3.304,76 69.765,77 24.248,78 141.276,79 33.458,80 1.193,81 3.51,82 78.008,83 27.495,84 228.834,85 37.958,86 1.636,87 3.586,88 90.889,89 29.204,90 268.629,91 40.825,92 1.457,93 3.246,94 88.265,95 27.283,96 232.715,97 37.694,98 1.026,99 2.932,100 78.265,101 24.83,102 164.565,103 35.008,104 95,105 78,106 0.23,107 0.557,108 0.772,109 0.894,110 0.917,111 0.917,112 3.991,113 0.98,114 -3.87,115 -3.83,116 -3.63,118 39.6,120 10,123 1,124 4,126 2,140 9,141 4,142 2,143 2,150 2,154 4,163 2,167 2,168 18,171 2,172 11,173 1,175 2,177 2,178 1,180 19,181 1,185 1,186 14,189 5,190 1,191 3,194 18,195 1,197 1,198 12,199 1,203 3,206 18,207 4,209 1,210 15,211 2,213 2,215 8,216 1,218 18,219 5,221 2,222 15,223 1,225 4,226 1,227 9,229 18,230 2,233 1,234 9,237 1,239 4,242 16,243 3,244 1,247 8,248 3,250 1,252 5,253 2,255 14,256 4,258 6,259 10,262 3,263 2,264 6,265 1,267 10,268 2,270 7448,271 35.647,272 35.647,273 35.647,274 35.647,275 35.647,276 32.352,277 32.973,278 21.452,279 36.204,280 28.093,281 28.093,282 28.093,283 28.093,284 28.093,285 23.018,286 31.328,287 10.077,288 29.029,289 5.071,290 2.814,291 1.328,292 0.483,293 0.324,294 0.324,295 4.688,297 1,301 2214,302 5.831,305 150.387,306 544.41,307 197.297,309 279.854,311 331.144,313 3.033,314 75.895,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 115.833,326 1032,327 4.791,328 3.907,329 7.117,330 4.349,331 3.378,332 4.755,333 2.378,334 12.358,335 3.281,336 4.403,337 3.738,338 6.759,339 4.144,340 3.178,341 3.909,342 2.375,343 11.02,344 3.069,345 4.036,346 3.715,347 6.091,348 3.756,349 2.783,350 3.639,351 1.983,352 8.77,353 2.705,354 3.962,355 3.578,356 6.084,357 3.731,358 2.764,359 3.188,360 1.94,361 8.706,362 2.662,363 3.938,364 3.454,365 6.015,366 3.602,367 2.628,368 3.098,369 0.656,370 8.529,371 2.562,372 3.796,373 3.01,374 5.845,375 3.506,376 2.506,377 3.095,378 0.555,379 7.868,380 2.497,381 3.633,382 2.899,383 5.609,384 3.247,385 2.26,386 2.994,387 0.434,388 6.945,389 2.211,390 3.533,391 2.494,392 5.285,393 3.14,394 2.225,395 2.839,397 6.422,398 2.093,399 3.482,400 2.492,401 5.077,402 3.103,403 2.144,404 2.684,406 6.049,407 1.949,408 3.174,409 2.37,410 4.789,411 2.88,412 1.894,413 2.457,415 4.858,416 1.849,417 3.128,418 2.334,419 4.569,420 2.806,421 1.815,422 2.219,424 4.8,425 1.791,426 2.916,427 2.158,428 4.29,429 2.672,430 1.735,431 2.089,433 4.204,434 1.593,435 2.909,436 1.841,437 4.15,438 2.599,439 1.6,440 1.908,442 3.44,443 1.579,444 2.742,445 1.836,446 3.892,447 2.473,448 1.476,449 1.789,451 3.342,452 1.469,453 2.697,454 1.69,455 3.843,456 2.433,457 1.445,458 1.705,460 3.191,461 1.417,462 25.048,463 0.473,464 1.261,465 0.024,466 60.25,467 1.137,468 26.5,469 0.5,470 33.75,471 0.637,472 65.158,473 1.229,474 59.552,475 0.59,476 58.431,477 1.102,478 11.588,479 0.219,480 13.994,481 0.264,482 0.142,484 0.327,487 0.772,488 1.393,489 0.756,490 1.107,491 0.67,492 1.013,493 0.618,494 1.224,495 0.818,496 1.039,497 0.479,498 1.024,499 0.801,500 0.989,501 0.9,502 0.926,503 0.806,504 0.944,505 1.008,506 1.046,507 0.966,508 1.017,509 0.987,510 1.042,511 0.887,512 1.145,513 0.913,514 1.112,515 0.921,516 1.109,517 0.987,518 0.941,519 0.956,520 0.964,521 1.035,522 0.993,523 1.198,524 0.915,525 1.144,526 0.969,527 1.225,528 1.014,529 0.918,530 0.97,531 0.979,532 1.007,533 0.902,534 0.973,535 9,536 0.419,537 6,538 4.736,539 3.502,540 2.049,541 1.193,542 0.902,543 0.659,544 0.535,545 64149,546 181051,547 2.025,548 47.5,549 12,550 22,552 2,553 4,554 2,555 6,558 1.861,559 1.882,560 4.132,561 1.273,567 160.263,568 1.587,569 3.844,570 5.331,571 6.175,572 6.334,573 6.334,574 3.517,575 5.502,576 5.708,577 4.471,578 6161.19,579 10.141,580 144188,585 672.479,586 1.456,587 5.65,588 0.158,589 0.007,590 0.077,591 0.053,592 0.039,593 0.023,594 0.014,595 0.013,596 0.01,597 0.008,598 0.401,599 0.17,600 0.5,601 0.955,602 332.381,603 -0.069,604 -0.136,605 0.016,606 -0.002,607 -0.046,608 0.018,609 0.1,610 -0.044,611 0.013,612 -0.008,613 0.12,614 -0.021,615 0.032,616 0.084,617 0.016,618 0.075,619 -0.025,620 0.052,621 -0.125,622 0.02,623 -0.088,624 -0.025,625 -0.094,626 -0.054,627 0.027,628 -0.13,629 -0.035,630 -0.113,631 0.049,632 -0.11,633 0.02,634 0.011,635 0.002,636 0.002,637 0.007,638 -0.01,639 -0.131,640 0.013,641 -0.092,642 0.008,643 -0.138,644 -0.028,645 -0.01,646 -0.041,647 0.053,648 -0.02,649 -0.013,650 0.033,651 2.826,652 6.438,653 0.491,654 75.349,655 1.006,656 1.129,657 2.638,658 6.96,659 0.652,660 4.06,661 4.369,662 4.644,663 4.92,664 5.159,665 5.252,666 5.347,667 5.451,668 5.485,669 5.447,670 12.095,671 0.619,672 746.38,673 4.06,674 5.602,675 6.45,676 7.33,677 8.205,678 9.095,679 9.982,680 10.878,681 11.773,682 12.674,683 5,685 1,690 2,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 101,726 26,727 2,728 57,730 105,731 40,733 19,734 5,735 7,739 5,740 7,741 1,745 1,748 3,751 12,753 23,754 17,756 4,761 4,765 4,772 48,773 11,774 4,775 13,776 1,779 5,784 0.6,785 7,786 1,795 1,797 1,801 1,802 3,803 1,805 1,807 1,817 2,818 2,826 1,830 3,832 3,836 1,837 1,840 53,845 3,846 14,847 1,850 2,851 2,861 1,862 6.9,863 1,864 2,865 4,869 28.167,870 17.793,871 11.917,872 6.348,874 3.954,875 1.446,876 0.929,877 14.73,878 12.816,879 4.29,880 4.83,881 5.363,882 5.933,883 6.475,884 6.772,885 7.174,886 7.563,887 7.772,888 7.949,889 1,890 89,891 19.898,893 8.625,894 7.939,895 37.504,897 31.069,899 2.439,900 129.278,904 517.928,905 177.957,906 42.944,907 39.149,908 228.63,911 177.957,912 785.707,913 42.944,914 8.396,915 37.911,916 145.98,917 237.503,918 38.381,919 4.901,920 494.386,921 39.149,922 517.928,923 220.901,924 228.63,925 39.149,927 447.302,928 256.573,929 42.683,931 75.916,932 128.2,933 55.934,935 517.928,936 271.574,937 217.105,940 517.928,941 66.179,942 119.925,943 18.011,944 284.564,945 517.928,946 271.574,947 217.105,949 0.572,950 0.334,951 0.188,952 0.11,953 32,954 17,955 0.181,956 19,957 2,958 1.154,959 5.865,960 561.189,961 0.154,962 26,963 303.58,968 40.242,969 19.4,970 10.387,971 2.2,972 269.675,973 20.632,974 4.322,978 5.367,979 2.175,980 146.061,981 1006.61,982 72,987 50.438,991 -2.791,994 101.563,995 114.036,996 0.238,997 0.577,998 0.801,999 0.927,1000 0.951,1001 0.951,1002 5.535,1003 2.225,1004 6.431,1005 6.945,1006 5.056,1007 5.519,1008 3.51,1009 7.255,1010 4.994,1011 6.719,1012 2.144,1013 7.999,1014 6.422,1015 4.635,1016 5.338,1017 3.275,1018 8.219,1019 4.522,1020 8.018,1021 1.894,1022 9.674,1023 6.049,1024 6.65,1025 7.659,1026 4.781,1027 11.363,1028 6.529,1029 9.355,1030 1.815,1031 11.414,1032 4.858,1033 7.083,1034 8.354,1035 5.162,1036 13.211,1037 6.916,1038 10.728,1039 1.735,1040 13.198,1041 4.8,1042 8.56,1043 10.18,1044 6.274,1045 15.889,1046 8.38,1047 12.13,1048 1.6,1049 15.012,1050 4.204,1051 9.393,1052 11.306,1053 6.904,1054 18.105,1055 9.171,1056 13.555,1057 1.476,1058 16.849,1059 3.44,1060 10.667,1061 12.949,1062 7.866,1063 20.64,1064 10.426,1065 3.378,1066 1.445,1067 18.702,1068 3.342,1069 11.689,1070 14.294,1071 8.612,1072 23.014,1073 11.41,1074 3.178,1075 12.358,1076 20.569,1077 3.191,1078 12.892,1079 15.868,1080 9.511,1081 25.51,1082 12.588,1083 2.783,1084 11.02,1085 22.448,1086 4.755,1087 14.001,1088 17.322,1089 10.314,1090 27.951,1091 13.664,1092 2.764,1093 8.77,1094 24.336,1095 3.909,1096 15.184,1097 18.875,1098 11.188,1099 30.441,1100 14.819,1101 2.628,1102 8.706,1103 26.232,1104 3.639,1105 16.336,1106 20.38,1107 12.019,1108 32.913,1109 15.939,1110 2.506,1111 8.529,1112 28.135,1113 3.188,1114 17.518,1115 21.929,1116 12.883,1117 35.404,1118 17.092,1119 2.26,1120 7.868,1121 30.045,1122 3.098,1123 18.69,1124 23.46,1125 13.729,1126 37.892,1127 18.233,1128 60748,1129 102293,1130 37.391,1131 65.819,1132 84.903,1133 87.385,1134 87.968,1135 84.383,1136 84.045,1137 104.959,1138 20.644,1139 238.337,1140 81.338,1141 5.78,1142 5.907,1143 6.919,1144 5.393,1145 5.378,1146 7.755,1147 3.993,1148 19.863,1149 5.281,1150 32.177,1151 1.49,1152 1.533,1153 1.543,1154 1.48,1155 1.474,1156 1.841,1157 0.362,1158 4.181,1159 1.427,1160 4.178,1161 4.208,1162 4.181,1163 4.101,1164 7.477,1165 4.107,1166 4.009,1167 4.045,1168 3.95,1169 3.914,1170 7.471,1171 3.916,1172 3.843,1173 3.897,1174 3.82,1175 3.722,1176 7.428,1177 3.723,1178 3.809,1179 3.849,1180 3.738,1181 3.684,1182 7.425,1183 3.686,1184 3.751,1185 3.799,1186 3.659,1187 3.602,1188 6.456,1189 3.6,1190 3.645,1191 3.706,1192 3.622,1193 3.492,1194 6.352,1195 3.493,1196 3.583,1197 3.62,1198 3.519,1199 3.409,1200 6.35,1201 3.415,1202 3.505,1203 3.549,1204 3.458,1205 3.321,1206 5.026,1207 3.325,1208 0.084,1209 0.069,1210 0.125,1211 0.076,1212 0.059,1213 4.791,1214 0.083,1215 3.907,1216 0.042,1217 7.117,1218 0.217,1219 4.349,1220 0.058,1221 3.378,1222 4.755,1223 2.378,1224 12.358,1225 3.281,1226 1.945,1227 1.926,1228 2.047,1229 2.024,1230 1.379,1231 2.028,1232 1.923,1233 1.895,1234 2.042,1235 2.016,1236 1.353,1237 2.023,1238 1.881,1239 1.846,1240 2.005,1241 2.011,1242 1.281,1243 2.013,1244 1.805,1245 1.751,1246 1.985,1247 1.991,1248 1.179,1249 1.994,1250 1.747,1251 1.696,1252 1.94,1253 1.938,1254 1.121,1255 1.935,1256 1.67,1257 1.614,1258 1.868,1259 1.856,1260 1.094,1261 1.872,1262 1.572,1263 1.522,1264 1.79,1265 1.784,1266 1.049,1267 1.786,1268 1.486,1269 1.427,1270 1.715,1271 1.692,1272 0.917,1273 1.702,1274 4.745,1276 6.057,1277 2.398,1278 7.554,1279 5.043,1280 9.145,1281 7.368,1282 10.789,1284 2.046,1285 6.389,1289 29.122,1290 5.454,1291 2.982,1294 -1.897,1295 2.838,1300 62.528,1301 160.263,1302 388.27,1303 538.382,1304 623.724,1305 639.724,1306 639.724,1307 180.869,1308 8.862,1309 165.3,1310 165.3,1311 30,1312 13.197,1313 4.755,1314 4,1315 99.798,1316 396,1317 303,1318 0.117,1319 386.792,1320 689.94,1321 935.532,1322 131750,1323 1,1324 37.907,1325 0.715,1326 0.581,1327 38.407,1328 30.802,1329 25.583,1330 0.449,1331 0.327,1332 18.046,1333 24.343,1334 17.666,1335 14.559,1336 25.871,1337 18.622,1338 22.631,1339 0.29,1340 0.179,1341 23.039,1342 13.982,1343 18.436,1344 0.179,1345 0.099,1346 18.698,1347 10.19,1348 15.382,1349 0.113,1350 0.055,1351 15.602,1352 7.524,1353 12.855,1354 0.074,1355 0.031,1356 13.126,1357 5.415,1358 0.193,1359 163.485,1360 0.164,1361 45.855,1362 0.296,1363 270,1364 816.508,1365 311.262,1366 808.353,1367 1063.24,1368 750,1369 316,1370 725.294,1371 350.736,1372 739.54,1373 1080.43,1374 697,1375 7.699} {0 CHEMBL299321,1 1.515,2 12.926,3 2.195,4 4.818,5 101.483,6 6.845,7 0.393,8 4.079,9 4.193,10 3.552,11 3.503,12 5.157,13 3.491,14 4.637,15 4.817,16 3.796,17 3.837,18 5.708,19 3.793,20 4.839,21 5.056,22 3.733,23 3.932,24 5.768,25 3.83,26 4.893,27 5.143,28 3.678,29 3.914,30 5.745,31 3.795,32 4.883,33 5.135,34 3.675,35 3.876,36 5.745,37 3.766,38 4.84,39 5.09,40 3.663,41 3.856,42 5.721,43 3.749,44 4.792,45 5.031,46 3.66,47 3.88,48 5.73,49 3.761,50 4.836,51 5.104,52 3.616,53 3.903,54 5.617,55 3.774,56 0.051,57 0.729,58 12.69,59 5.162,60 10.952,61 6.927,62 0.472,63 1.09,64 24.125,65 7.883,66 52.968,67 10.933,68 0.604,69 1.216,70 30.057,71 9.845,72 54.741,73 13.894,74 0.526,75 1.235,76 31.986,77 10.097,78 54.513,79 14.705,80 0.564,81 1.198,82 31.936,83 9.695,84 56.558,85 14.177,86 0.657,87 1.174,88 30.65,89 9.152,90 57.143,91 13.508,92 0.581,93 1.188,94 28.592,95 9.217,96 61.714,97 13.59,98 0.472,99 1.238,100 30.019,101 9.342,102 43.71,103 14.151,104 20,105 34,106 0.254,107 0.595,108 0.828,109 0.881,110 0.881,111 0.881,112 3.338,113 0.982,114 -2.73,115 -2.74,116 -2.66,118 36.4,120 4,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 5,175 1,177 1,180 6,181 1,185 2,186 6,191 1,194 3,195 1,197 1,198 5,203 1,207 1,209 1,210 5,215 1,221 2,222 5,223 1,233 1,234 7,237 1,242 1,247 6,255 3,258 1,259 3,260 2,267 5,270 1551,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.853,277 20.894,278 11.606,279 19.023,280 13.81,281 13.81,282 13.81,283 13.81,284 13.81,285 11.511,286 20.478,287 5.528,288 14.687,289 4.266,290 2.234,291 0.841,292 0.523,293 0.523,294 0.523,295 4.008,298 1,299 1,300 1,301 710,302 4.301,305 96.389,306 111.828,313 1.934,314 27.373,316 1,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 60,326 349,327 4.035,328 3.596,329 5.584,330 3.632,331 2.687,332 3.635,333 2.341,334 7.703,335 2.582,336 3.956,337 3.016,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.55,346 2.907,347 5.113,348 3.242,349 2.28,350 2.767,351 0.86,352 6.29,353 2.222,354 3.496,355 2.66,356 5.042,357 3.188,358 2.233,359 2.71,360 0.86,361 6.115,362 2.078,363 3.381,364 2.49,365 4.659,366 3.108,367 2.169,368 2.434,370 5.183,371 2.019,372 2.734,373 1.98,374 3.747,375 2.667,376 1.685,377 1.738,379 3.441,380 1.649,381 2.577,382 1.726,383 3.502,384 2.142,385 1.254,386 1.599,388 2.71,389 1.112,390 2.5,391 1.426,392 3.414,393 2.087,394 1.175,395 1.5,397 2.501,398 1.056,399 2.277,400 1.211,401 3.375,402 2,403 1,404 1.262,406 2.275,407 1,408 2.118,409 1.105,410 3.089,411 1.845,412 0.916,413 0.982,415 1.939,416 0.841,417 2.02,418 1,419 3,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.677,427 0.798,428 2.796,429 1.418,430 0.547,431 0.599,433 0.904,434 0.471,435 1.338,436 0.618,437 2.563,438 1.192,439 0.254,440 0.265,442 0.528,443 0.235,444 1.081,445 0.467,446 2.49,447 0.86,448 -0.059,449 -0.065,451 -0.126,452 -0.054,453 0.759,454 0.323,455 2.026,456 0.545,457 -0.402,458 -0.433,460 -0.952,461 -0.374,462 12.467,463 0.462,464 0.417,465 0.015,466 29.25,467 1.083,468 12,469 0.444,470 17.25,471 0.639,472 23.65,473 0.876,474 31.933,475 0.581,476 21.091,477 0.781,478 6.067,479 0.225,480 7.102,481 0.263,482 0.094,484 0.193,487 0.869,488 1.588,489 0.874,490 1.401,491 0.738,492 1.175,493 1.191,494 1.07,495 1.083,496 1.054,497 0.641,498 1.041,499 1.078,500 1.057,501 1.115,502 1.104,503 0.967,504 1.121,505 0.993,506 1.002,507 1.002,508 1.04,509 0.819,510 1.028,511 1.087,512 0.969,513 0.984,514 0.974,515 0.846,516 0.964,517 1.03,518 0.895,519 0.991,520 0.897,521 0.84,522 0.929,523 0.788,524 1.089,525 0.999,526 1.062,527 0.716,528 1.072,529 0.843,530 0.913,531 0.937,532 0.872,533 0.525,534 0.908,535 4.5,536 0.155,537 1.556,538 0.847,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 9583,546 28234,547 1.996,548 50.9,549 4,550 16,551 1,552 2,553 1,554 2,555 2,558 1.701,559 1.906,560 3.643,561 -0.309,562 1,563 1,567 83.321,568 1.515,569 3.548,570 4.94,571 5.259,572 5.259,573 5.259,574 3.102,575 4.31,576 4.72,577 3.843,578 1348.84,579 8.198,580 19307.4,582 1,584 1,585 317.975,586 1.16,587 4.704,588 0.161,589 0.006,590 0.046,591 0.028,592 0.021,593 0.017,594 0.009,595 0.006,596 0.008,597 0.004,598 0.305,599 0.33,600 0.88,601 1.863,602 138.716,603 -0.043,604 -0.283,605 0.047,606 -0.164,607 -0.03,608 -0.059,609 -0.081,610 0.056,611 -0.09,612 -0.001,613 0.109,614 -0.039,615 -0.044,616 -0.05,617 -0.135,618 -0.081,619 -0.09,620 -0.122,621 -0.055,622 -0.048,623 -0.028,624 -0.059,625 -0.056,626 -0.041,627 -0.072,628 -0.034,629 0.006,630 -0.013,631 -0.055,632 0.008,633 -0.02,634 0.065,636 0.058,637 -0.037,638 0.037,639 0.069,640 -0.079,641 -0.043,642 -0.054,643 0.056,644 -0.069,645 -0.081,646 0.078,647 0.013,648 0.098,649 -0.035,650 0.081,651 2.416,652 3.526,653 0.407,654 31.753,655 1.006,656 1.135,657 1.497,658 2.242,659 0.621,660 3.367,661 3.555,662 3.664,663 3.784,664 3.829,665 3.829,666 3.829,667 3.807,668 3.892,669 3.932,670 7.748,671 0.59,672 376.5,673 3.367,674 4.828,675 5.595,676 6.392,677 7.174,678 7.976,679 8.766,680 9.571,681 10.365,682 11.172,683 3.6,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 55,726 12,727 1,728 28,730 56,731 20,733 9,734 2,735 4,739 2,740 2,751 5,753 10,754 10,756 1,761 1,765 1,768 1,769 1,772 28,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 1,840 27,845 1,846 8,848 3,850 1,862 9.1,864 1,865 1,866 2,867 1,869 14.167,870 9.683,871 6.333,872 3.222,874 1.495,875 1.23,876 0.892,877 9.911,878 7.992,879 3.57,880 3.984,881 4.339,882 4.74,883 4.945,884 4.89,885 4.909,886 4.86,887 5.049,888 5.279,889 0.889,890 30,891 9.971,893 3.95,894 7.827,895 19.053,897 14.604,899 2.327,900 62.833,904 317.82,905 110.861,906 18.685,908 100.828,911 110.861,912 418.648,913 18.685,914 10.883,915 26.021,916 46.952,917 139.684,918 30.375,919 11.771,920 282.506,922 317.82,923 129.546,924 100.828,927 294.278,928 102.37,929 22,931 45.586,932 67.174,933 16.786,935 317.82,936 119.513,937 110.861,940 317.82,941 35.36,942 77.401,944 117.613,945 317.82,946 119.513,947 110.861,949 0.546,950 0.29,951 0.145,952 0.071,953 11,954 5,955 0.25,956 14,958 1,959 4.127,960 192.978,962 11,963 124.382,968 21.417,969 12.494,970 9.044,972 117.613,973 13.172,974 4.056,978 1.897,979 1.964,980 42.683,981 548.194,982 34.5,987 10.526,991 -0.749,994 55.327,995 62.441,996 0.262,997 0.614,998 0.855,999 0.91,1000 0.91,1001 0.91,1002 4.734,1003 1.175,1004 5.493,1005 2.71,1006 4.234,1007 4.668,1008 2.719,1009 6.107,1010 4.118,1011 5.841,1012 1,1013 6.925,1014 2.501,1015 3.434,1016 4.086,1017 2.243,1018 6.581,1019 3.286,1020 7.063,1021 0.916,1022 8.446,1023 2.275,1024 5.638,1025 6.608,1026 3.769,1027 9.566,1028 5.418,1029 8.315,1030 0.618,1031 10.02,1032 1.939,1033 5.673,1034 6.89,1035 4.112,1036 10.874,1037 5.402,1038 9.599,1039 0.547,1040 11.629,1041 1.372,1042 7.258,1043 8.821,1044 5.235,1045 13.29,1046 6.936,1047 10.903,1048 0.254,1049 13.261,1050 0.904,1051 7.702,1052 9.512,1053 5.889,1054 14.953,1055 7.317,1056 12.221,1057 -0.059,1058 14.909,1059 0.528,1060 8.995,1061 11.174,1062 6.856,1063 17.147,1064 8.571,1065 2.687,1066 -0.402,1067 16.567,1068 -0.126,1069 9.664,1070 12.088,1071 7.625,1072 18.983,1073 9.172,1074 2.641,1075 7.703,1076 18.233,1077 -0.952,1078 10.807,1079 13.606,1080 8.527,1081 21.081,1082 10.281,1083 2.28,1084 7.335,1085 19.906,1086 3.635,1087 11.605,1088 14.651,1089 9.342,1090 23.005,1091 11.011,1092 2.233,1093 6.29,1094 21.583,1095 3.49,1096 12.668,1097 16.084,1098 10.216,1099 25.06,1100 12.039,1101 2.169,1102 6.115,1103 23.264,1104 2.767,1105 13.541,1106 17.21,1107 11.051,1108 27.03,1109 12.847,1110 1.685,1111 5.183,1112 24.948,1113 2.71,1114 14.562,1115 18.592,1116 11.912,1117 29.067,1118 13.832,1119 1.254,1120 3.441,1121 26.634,1122 2.434,1123 15.479,1124 19.769,1125 12.755,1126 31.062,1127 14.688,1128 9649,1129 16648,1130 18.663,1131 34.182,1132 39.281,1133 39.822,1134 39.709,1135 38.9,1136 38.921,1137 47.816,1138 10.423,1139 96.591,1140 36.583,1141 4.996,1142 5.596,1143 5.412,1144 4.709,1145 4.687,1146 6.635,1147 3.925,1148 13.229,1149 4.582,1150 12.687,1151 1.403,1152 1.422,1153 1.418,1154 1.389,1155 1.39,1156 1.708,1157 0.372,1158 3.45,1159 1.307,1160 3.962,1161 4.016,1162 3.893,1163 3.853,1164 7.474,1165 3.854,1166 3.903,1167 3.936,1168 3.842,1169 3.724,1170 6.351,1171 3.75,1172 3.757,1173 3.809,1174 3.625,1175 3.605,1176 4.962,1177 3.599,1178 3.582,1179 3.615,1180 3.476,1181 3.363,1182 4.876,1183 3.382,1184 3.428,1185 3.466,1186 3.297,1187 3.21,1188 4.646,1189 3.22,1190 3.294,1191 3.347,1192 3.148,1193 3.062,1194 4.459,1195 3.073,1196 3.096,1197 3.16,1198 2.9,1199 2.826,1200 4.257,1201 2.821,1202 3.006,1203 3.068,1204 2.805,1205 2.735,1206 3.999,1207 2.748,1208 0.144,1209 0.128,1210 0.199,1211 0.13,1212 0.096,1213 4.035,1214 0.13,1215 3.596,1216 0.084,1217 5.584,1218 0.275,1219 3.632,1220 0.092,1221 2.687,1222 3.635,1223 2.341,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.017,1229 2.008,1230 1.333,1231 2.01,1232 1.756,1233 1.705,1234 1.993,1235 1.951,1236 1.191,1237 1.96,1238 1.672,1239 1.617,1240 1.867,1241 1.882,1242 1.124,1243 1.885,1244 1.416,1245 1.366,1246 1.666,1247 1.67,1248 0.933,1249 1.661,1250 1.342,1251 1.293,1252 1.596,1253 1.607,1254 0.699,1255 1.599,1256 1.281,1257 1.219,1258 1.54,1259 1.527,1260 0.606,1261 1.526,1262 1.198,1263 1.128,1264 1.453,1265 1.493,1266 0.519,1267 1.495,1268 1.03,1269 0.958,1270 1.334,1271 1.326,1272 0.447,1273 1.321,1274 4.043,1276 5.263,1277 2.398,1278 6.64,1279 4.443,1280 8.091,1281 6.26,1282 9.585,1284 1.644,1289 8.659,1290 4.805,1292 16.946,1294 -0.086,1300 32.465,1301 83.321,1302 195.13,1303 271.71,1304 289.22,1305 289.22,1306 289.22,1307 61.188,1308 6.497,1309 82.81,1310 82.81,1311 11,1312 11.767,1313 3.7,1314 2.907,1315 58.393,1316 117,1317 131,1318 0.22,1319 203.836,1320 358.15,1321 489.12,1322 5263,1324 19.322,1325 0.716,1326 0.583,1327 19.322,1328 15.75,1329 13.169,1330 0.47,1331 0.327,1332 8.978,1333 12.421,1334 8.784,1335 7.307,1336 13.169,1337 9.169,1338 10.864,1339 0.32,1340 0.186,1341 10.864,1342 6.32,1343 8.054,1344 0.212,1345 0.108,1346 8.054,1347 4.094,1348 6.06,1349 0.141,1350 0.061,1351 6.06,1352 2.618,1353 4.17,1354 0.093,1355 0.035,1356 4.17,1357 1.578,1358 0.358,1359 84.305,1360 0.231,1361 26.905,1362 0.571,1363 124,1364 434.382,1365 141.253,1366 396.706,1367 514.08,1368 372,1369 134,1370 341.324,1371 150.317,1372 342.598,1373 485.14,1374 317,1375 6.252} {0 CHEMBL299467,1 1.428,2 18.308,3 6.583,4 43.329,5 151.76,6 6.792,7 0.405,8 4.416,9 4.538,10 3.891,11 3.961,12 5.454,13 3.917,14 4.98,15 5.162,16 4.196,17 4.36,18 6.007,19 4.271,20 5.293,21 5.545,22 4.203,23 4.49,24 6.175,25 4.357,26 5.309,27 5.566,28 4.18,29 4.465,30 6.214,31 4.331,32 5.261,33 5.513,34 4.142,35 4.455,36 6.133,37 4.321,38 5.253,39 5.504,40 4.124,41 4.427,42 6.166,43 4.292,44 5.213,45 5.47,46 4.087,47 4.35,48 6.128,49 4.226,50 5.125,51 5.368,52 4.1,53 4.285,54 6.078,55 4.185,56 0.055,57 1.068,58 17.483,59 7.77,60 11.713,61 10.419,62 0.351,63 1.748,64 32.175,65 13.15,66 51.052,67 18.312,68 0.417,69 2.182,70 45.769,71 17.523,72 66.377,73 24.98,74 0.584,75 2.17,76 47.171,77 17.169,78 77.005,79 24.625,80 0.399,81 2.108,82 44.48,83 16.657,84 61.468,85 23.786,86 0.378,87 2.095,88 44.164,89 16.232,90 66.964,91 23.324,92 0.422,93 1.999,94 42.889,95 14.807,96 66.488,97 21.526,98 0.362,99 1.837,100 39.116,101 13.517,102 51.563,103 19.403,104 16,105 54,106 0.219,107 0.524,108 0.687,109 0.809,110 0.861,111 0.872,112 3.692,113 1.019,114 -5.47,115 -5.35,116 -4.99,118 41,120 12,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 9,215 3,218 18,219 1,222 11,227 5,229 13,230 1,234 12,239 5,242 9,243 2,247 12,252 4,255 7,256 3,258 2,259 13,260 1,264 4,267 6,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 11.506,278 16.658,279 26.956,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.059,286 7.585,287 7.996,288 21.031,289 4.858,290 2.86,291 1.799,292 0.998,293 0.66,294 0.59,295 4.39,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 35.288,317 0.5,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.7,325 83.5,326 714,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,352 8.178,353 2.59,354 3.639,355 2.829,356 5.34,357 3.521,358 2.521,359 3.06,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.522,373 2.263,374 4.659,375 3.197,376 2.209,377 2.534,379 5.184,380 2.18,381 3.269,382 2.036,383 4.542,384 2.821,385 1.843,386 2.518,388 4.677,389 1.8,390 2.996,391 1.895,392 4.17,393 2.707,394 1.715,395 2.143,397 3.872,398 1.7,399 2.757,400 1.8,401 3.957,402 2.598,403 1.598,404 1.798,406 3.482,407 1.593,408 2.708,409 1.533,410 3.714,411 2.456,412 1.476,413 1.715,415 3.162,416 1.444,417 2.513,418 1.499,419 3.634,420 2.373,421 1.379,422 1.502,424 3.063,425 1.367,426 2.5,427 1.307,428 3.478,429 2.073,430 1.085,431 1.5,433 2.63,434 1.068,435 2.5,436 1.174,437 3.414,438 2,439 1,440 1.5,442 2.323,443 1,444 2.415,445 1.03,446 3.389,447 2,448 1,449 1.363,451 2.275,452 1,453 2.341,454 1,455 3.267,456 1.964,457 1,458 1.243,460 2.136,461 0.961,462 18.533,463 0.475,464 0.661,465 0.017,466 44.25,467 1.135,468 20.5,469 0.526,470 23.75,471 0.609,472 39.907,473 1.023,474 43.267,475 0.555,476 34.735,477 0.891,478 7.932,479 0.203,480 11.166,481 0.286,482 0.054,484 0.243,487 0.757,488 1.262,489 0.885,490 1.142,491 0.623,492 1.047,493 0.568,494 1.21,495 0.979,496 1.184,497 0.428,498 1.144,499 0.689,500 0.985,501 0.893,502 0.995,503 0.704,504 0.977,505 0.827,506 0.942,507 0.924,508 0.934,509 0.811,510 0.941,511 0.856,512 0.975,513 0.957,514 0.965,515 0.796,516 0.973,517 0.872,518 1.072,519 0.988,520 1.036,521 0.829,522 1.027,523 1.013,524 1.01,525 0.98,526 0.954,527 0.923,528 0.953,529 1.088,530 1.032,531 0.947,532 0.971,533 0.928,534 0.936,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 66607,547 2.082,548 50,549 21,550 9,551 1,552 2,553 2,554 2,555 2,558 1.79,559 2,560 4.093,561 0.085,567 111.376,568 1.428,569 3.425,570 4.487,571 5.287,572 5.625,573 5.696,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 490.261,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.63,601 1.233,602 225.902,603 -0.031,604 -0.052,605 0.036,606 0.004,607 0.002,608 0.025,609 0.17,610 -0.092,611 -0.041,612 -0.108,613 0.186,614 -0.106,615 0.051,616 0.007,617 0.063,618 0.016,619 0.05,620 0.035,621 0.059,622 0.037,623 0.053,624 0.055,625 0.019,626 0.053,627 -0.054,628 0.02,629 0.007,630 0.039,631 -0.054,632 0.032,633 -0.047,634 -0.071,635 -0.02,636 -0.039,637 -0.026,638 -0.028,639 -0.072,640 -0.002,641 0.008,642 0.013,643 -0.055,644 0.022,645 -0.056,646 -0.012,647 0.049,648 0.002,649 -0.046,650 0.039,651 2.431,652 5.559,653 0.59,654 67.057,655 0.994,656 1.126,657 4.237,658 17.956,659 0.648,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.608,672 529.74,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.8,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 78,726 20,727 1,728 42,730 81,731 32,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 12,753 18,754 14,755 1,756 3,761 2,763 1,765 3,772 39,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 39,845 1,846 13,847 1,850 1,862 5.1,864 1,865 2,867 1,869 19.5,870 13.517,871 8.861,872 5.304,874 3.021,875 1.376,876 0.947,877 11.345,878 11.047,879 3.998,880 4.48,881 4.983,882 5.495,883 5.944,884 6.23,885 6.645,886 7.011,887 7.397,888 7.743,889 1,890 53,891 14.494,893 6.04,894 7.709,895 28.234,897 23.191,899 2.209,900 86.167,904 435.531,905 154.822,906 51.582,908 102.481,911 154.822,912 538.011,913 51.582,915 50.531,916 78.073,917 160.721,918 43.101,919 11.771,920 400.217,922 435.531,923 206.404,924 102.481,927 411.989,928 126.023,931 76.402,932 86.954,933 43.047,935 435.531,936 154.062,937 154.822,940 435.531,941 58.654,942 96.168,943 18.011,944 136.052,945 435.531,946 154.062,947 154.822,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.173,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 28.766,969 15.381,970 9.18,972 154.062,973 16.765,974 8.673,976 5.63,978 3.501,980 60.694,981 744.415,982 53.5,987 23.348,989 2.136,991 0.073,994 77.519,995 87.806,996 0.227,997 0.545,998 0.714,999 0.841,1000 0.895,1001 0.906,1002 5.2,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.168,1008 2.468,1009 6.723,1010 4.67,1011 6.345,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.604,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.213,1026 3.693,1027 10.556,1028 6.145,1029 8.901,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.361,1038 10.236,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.579,1044 5.217,1045 14.785,1046 7.906,1047 11.599,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.552,1056 12.982,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 12.116,1062 6.852,1063 19.199,1064 9.833,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.695,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.75,1080 8.526,1081 23.702,1082 11.858,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.831,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.053,1097 17.438,1098 10.216,1099 28.251,1100 13.943,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.97,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.063,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.119,1128 27880,1129 42553,1130 28.602,1131 50.54,1132 61.564,1133 62.517,1134 61.749,1135 60.723,1136 60.738,1137 76.397,1138 6.798,1139 160.195,1140 60.065,1141 5.411,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.78,1151 1.466,1152 1.488,1153 1.47,1154 1.446,1155 1.446,1156 1.819,1157 0.162,1158 3.814,1159 1.43,1160 4.047,1161 4.072,1162 4.004,1163 3.971,1164 7.474,1165 3.972,1166 3.903,1167 3.957,1168 3.849,1169 3.802,1170 7.429,1171 3.785,1172 3.888,1173 3.916,1174 3.76,1175 3.757,1176 6.351,1177 3.771,1178 3.741,1179 3.784,1180 3.675,1181 3.598,1182 5.149,1183 3.616,1184 3.723,1185 3.772,1186 3.598,1187 3.58,1188 4.916,1189 3.576,1190 3.62,1191 3.677,1192 3.473,1193 3.469,1194 4.661,1195 3.459,1196 3.455,1197 3.489,1198 3.351,1199 3.295,1200 4.31,1201 3.3,1202 3.33,1203 3.398,1204 3.201,1205 3.12,1206 4.229,1207 3.121,1208 0.105,1209 0.086,1210 0.155,1211 0.096,1212 0.072,1213 4.411,1214 0.097,1215 3.596,1216 0.056,1217 6.502,1218 0.243,1219 4.036,1220 0.072,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.132,1229 2.055,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.798,1239 1.767,1240 1.955,1241 1.912,1242 1.261,1243 1.921,1244 1.717,1245 1.665,1246 1.925,1247 1.886,1248 1.163,1249 1.899,1250 1.676,1251 1.615,1252 1.901,1253 1.88,1254 0.964,1255 1.892,1256 1.484,1257 1.45,1258 1.648,1259 1.687,1260 0.93,1261 1.677,1262 1.431,1263 1.395,1264 1.642,1265 1.632,1266 0.835,1267 1.628,1268 1.255,1269 1.187,1270 1.513,1271 1.481,1272 0.825,1273 1.49,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.87,1290 13.326,1291 2.971,1294 0.874,1300 47.406,1301 111.376,1302 267.176,1303 349.949,1304 412.387,1305 438.752,1306 444.261,1307 88.707,1308 8.026,1309 105.32,1310 105.32,1311 23,1312 12.544,1313 4.392,1314 3.644,1315 70.774,1316 243,1317 263,1318 0.137,1319 292.318,1320 519.14,1321 705.017,1322 41503,1324 27.288,1325 0.7,1326 0.58,1327 27.288,1328 22.61,1329 19.097,1330 0.455,1331 0.34,1332 14.143,1333 18.555,1334 13.894,1335 11.571,1336 19.097,1337 14.268,1338 16.221,1339 0.3,1340 0.192,1341 16.221,1342 10.37,1343 12.978,1344 0.194,1345 0.11,1346 12.978,1347 7.395,1348 10.358,1349 0.126,1350 0.064,1351 10.358,1352 5.221,1353 8.01,1354 0.083,1355 0.038,1356 8.01,1357 3.649,1358 0.226,1359 118.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 530.979,1365 207.458,1366 511.861,1367 689.5,1368 478,1369 217,1370 495.286,1371 231.272,1372 500.491,1373 724.15,1374 472,1375 6.26} {0 CHEMBL299878,1 1.307,2 10.273,3 4.232,4 17.912,5 86.607,6 6.152,7 0.25,8 3.946,9 4.075,10 3.343,11 3.503,12 4.862,13 3.433,14 4.572,15 4.763,16 3.68,17 3.972,18 5.463,19 3.849,20 4.939,21 5.209,22 3.585,23 4.106,24 5.604,25 3.912,26 4.94,27 5.234,28 3.559,29 4.062,30 5.578,31 3.866,32 4.898,33 5.175,34 3.552,35 4.041,36 5.594,37 3.851,38 4.896,39 5.197,40 3.385,41 3.955,42 5.577,43 3.741,44 4.739,45 5.045,46 3.151,47 3.766,48 5.408,49 3.539,50 4.538,51 4.844,52 3.001,53 3.564,54 5.215,55 3.348,56 0.053,57 0.665,58 11.976,59 5.325,60 7.664,61 7.332,62 0.208,63 1.157,64 22.229,65 9.504,66 33.623,67 13.407,68 0.222,69 1.471,70 31.339,71 12.643,72 29.277,73 18.182,74 0.23,75 1.436,76 31.146,77 12.295,78 29.033,79 17.886,80 0.217,81 1.415,82 30.123,83 11.699,84 27.599,85 17.115,86 0.257,87 1.359,88 29.994,89 11.074,90 32.265,91 16.473,92 0.218,93 1.128,94 25.479,95 9.535,96 28.319,97 14.056,98 0.184,99 0.91,100 20.837,101 7.783,102 25.347,103 11.401,104 12,105 32,106 0.226,107 0.481,108 0.674,109 0.833,110 0.894,111 0.908,112 3.146,113 1.109,114 -4.71,115 -4.63,116 -4.35,118 38.8,120 9,121 4,140 2,141 1,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 5,215 1,218 15,219 1,222 3,227 1,229 11,230 1,234 2,239 1,242 9,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 3,268 4,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 14.17,277 7.993,278 9.352,279 15.174,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.583,286 4.834,287 4.508,288 12.008,289 4.308,290 2.834,291 1.72,292 0.796,293 0.449,294 0.367,295 3.828,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 15.86,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 46.5,326 226,327 4.352,328 3.596,329 6.944,330 4.291,331 3.291,332 3.635,333 2.341,334 11.766,335 3.29,336 3.75,337 3.402,338 5.771,339 3.453,340 2.461,341 3.014,343 7.759,344 2.442,345 3.55,346 2.564,347 5.217,348 3.242,349 2.236,350 2.71,352 6.194,353 2.224,354 3.054,355 2.027,356 4.685,357 3.02,358 2.021,359 2.16,361 5.184,362 2.019,363 2.977,364 1.797,365 4.659,366 2.751,367 1.763,368 2.013,370 4.727,371 1.741,372 2.716,373 1.717,374 3.807,375 2.632,376 1.64,377 1.716,379 3.45,380 1.623,381 2.5,382 1.348,383 3.606,384 2.252,385 1.268,386 1.5,388 2.9,389 1.245,390 2.49,391 1.14,392 3.304,393 1.999,394 1,395 1.486,397 2.162,398 0.995,399 2.087,400 1,401 3.254,402 1.955,403 1,404 1.056,406 2.136,407 0.953,408 1.655,409 0.728,410 3.247,411 1.648,412 0.648,413 0.65,415 1.594,416 0.648,417 1.42,418 0.611,419 2.872,420 1.333,421 0.333,422 0.349,424 0.77,425 0.331,426 0.951,427 0.334,428 2.426,429 0.813,430 -0.185,431 -0.196,433 -0.454,434 -0.183,435 0.606,436 -0.015,437 2.259,438 0.336,439 -0.661,440 -0.708,442 -1.49,443 -0.647,444 0.5,445 -0.446,446 2.104,447 0.064,448 -0.926,449 -1.105,451 -2,452 -0.893,453 0.429,454 -0.856,455 1.863,456 -0.017,457 -1,458 -1.245,460 -2.232,461 -0.973,462 10.567,463 0.48,464 0.418,465 0.019,466 20.5,467 0.932,468 7.5,469 0.341,470 13,471 0.591,472 23.736,473 1.079,474 25.433,475 0.519,476 10.228,477 0.465,478 2.935,479 0.133,480 7.819,481 0.355,482 0.063,484 0.284,487 0.739,488 1.241,489 0.99,490 1.177,491 0.649,492 1.121,493 0.419,494 1.239,495 1.062,496 1.246,497 0.321,498 1.224,499 0.675,500 1.081,501 1.038,502 1.104,503 0.656,504 1.112,505 0.597,506 0.913,507 0.878,508 0.925,509 0.569,510 0.931,511 0.666,512 1.1,513 1,514 1.074,515 0.632,516 1.073,517 0.754,518 0.956,519 0.999,520 0.968,521 0.667,522 0.997,523 0.758,524 0.943,525 0.983,526 0.973,527 0.718,528 0.995,529 0.824,530 0.905,531 0.933,532 0.924,533 0.835,534 0.938,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 11884,547 2.097,548 55.1,549 20,550 2,552 2,553 1,554 2,558 1.642,559 2,560 3.291,561 -0.399,563 1,567 64.028,568 1.307,569 2.781,570 3.895,571 4.818,572 5.166,573 5.247,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 275.121,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.5,600 1,601 1.936,602 102.821,603 -0.033,604 0.023,605 0.035,606 0.06,607 0.016,608 0.054,609 0.164,610 -0.081,611 -0.083,612 -0.103,613 0.222,614 -0.116,615 -0.038,616 -0.087,617 -0.097,618 -0.083,619 -0.021,620 -0.096,621 0.003,622 0.047,623 0.052,624 0.061,625 -0.005,626 0.062,627 -0.02,628 -0.103,629 -0.056,630 -0.074,631 -0.034,632 -0.071,633 -0.049,634 0.011,635 -0.056,636 -0.02,637 -0.043,638 -0.034,639 -0.036,640 -0.008,641 -0.047,642 -0.029,643 -0.039,644 -0.037,645 -0.026,646 0.015,647 0.009,648 0.018,649 -0.053,650 0.018,651 2.329,652 3.522,653 0.591,654 20.405,655 0.985,656 1.129,657 3.485,658 12.144,659 0.629,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.578,672 301.47,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2,693 1,699 4,700 1,704 1,706 6,724 49,726 7,728 24,730 51,731 19,733 5,739 3,740 4,748 3,749 4,751 9,753 6,754 13,755 4,756 1,761 1,765 1,769 1,772 27,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,830 1,832 2,840 22,845 1,846 9,850 4,862 4.1,864 1,865 1,869 11,870 8.233,871 4.944,872 3.489,874 1.059,875 1.156,876 0.915,877 5.254,878 7.858,879 3.367,880 3.773,881 4.139,882 4.586,883 4.964,884 4.948,885 5.213,886 5.422,887 5.499,888 5.518,889 0.857,890 27,891 8.209,893 3.486,894 7.598,895 16.554,897 14.61,899 2.098,900 46.167,901 0.001,903 1,904 306.049,905 63.954,906 16.786,908 67.828,911 63.954,912 373.877,913 16.786,915 22.811,916 18.952,917 109.066,918 21.28,920 282.506,922 306.049,923 80.739,924 67.828,927 306.049,928 67.828,931 40.906,932 23.048,933 16.786,935 306.049,936 84.614,937 63.954,940 306.049,941 26.906,942 37.047,944 84.614,945 306.049,946 84.614,947 63.954,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.157,956 8,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.679,969 7.372,970 3.776,972 84.614,973 8.28,974 4.329,978 1.45,980 42.683,981 454.616,982 28,987 10.522,991 -0.662,994 48.243,995 55.315,996 0.233,997 0.495,998 0.694,999 0.858,1000 0.92,1001 0.935,1002 4.6,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.454,1008 2.258,1009 6.315,1010 4.161,1011 5.708,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.955,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.298,1026 3.628,1027 10.414,1028 5.703,1029 8.233,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.553,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.463,1044 5.201,1045 15,1046 7.606,1047 10.9,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.139,1053 5.889,1054 17.262,1055 8.44,1056 12.27,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.799,1062 6.849,1063 19.8,1064 9.744,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.684,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.225,1080 8.526,1081 24.682,1082 12.01,1083 2.236,1084 7.759,1085 21.501,1086 3.635,1087 13.148,1088 14.24,1089 9.342,1090 27.121,1091 13.14,1092 2.021,1093 6.194,1094 23.403,1095 3.014,1096 14.347,1097 15.705,1098 10.216,1099 29.594,1100 14.338,1101 1.763,1102 5.184,1103 25.312,1104 2.71,1105 15.512,1106 16.805,1107 11.051,1108 32.05,1109 15.504,1110 1.64,1111 4.727,1112 27.228,1113 2.16,1114 16.704,1115 18.217,1116 11.912,1117 34.518,1118 16.695,1119 1.268,1120 3.45,1121 29.147,1122 2.013,1123 17.883,1124 19.376,1125 12.755,1126 36.98,1127 17.875,1128 5201,1129 7848,1130 16.296,1131 30.813,1132 35.434,1133 35.908,1134 36.065,1135 35.336,1136 35.322,1137 40.578,1138 4.682,1139 97.285,1140 35.022,1141 5.352,1142 5.596,1143 6.768,1144 5.327,1145 5.291,1146 6.635,1147 3.925,1148 18.961,1149 5.29,1150 8.903,1151 1.476,1152 1.496,1153 1.503,1154 1.472,1155 1.472,1156 1.691,1157 0.195,1158 4.054,1159 1.459,1160 4.078,1161 4.118,1162 3.985,1163 4.004,1164 7.474,1165 3.994,1166 3.785,1167 3.834,1168 3.699,1169 3.678,1170 6.351,1171 3.677,1172 3.753,1173 3.807,1174 3.615,1175 3.622,1176 4.897,1177 3.608,1178 3.528,1179 3.576,1180 3.389,1181 3.357,1182 4.378,1183 3.352,1184 3.236,1185 3.289,1186 3.071,1187 3.04,1188 4.11,1189 3.038,1190 3.036,1191 3.103,1192 2.875,1193 2.887,1194 3.821,1195 2.876,1196 2.883,1197 2.959,1198 2.675,1199 2.69,1200 3.785,1201 2.675,1202 2.804,1203 2.9,1204 2.619,1205 2.606,1206 3.643,1207 2.587,1208 0.181,1209 0.15,1210 0.289,1211 0.179,1212 0.137,1213 4.352,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.291,1220 0.137,1221 3.291,1222 3.635,1223 2.341,1224 11.766,1225 3.29,1226 1.929,1227 1.893,1228 2.088,1229 2.037,1230 1.512,1231 2.054,1232 1.779,1233 1.727,1234 1.991,1235 1.932,1236 1.341,1237 1.955,1238 1.673,1239 1.622,1240 1.877,1241 1.829,1242 1.231,1243 1.848,1244 1.539,1245 1.483,1246 1.78,1247 1.704,1248 1.065,1249 1.731,1250 1.455,1251 1.398,1252 1.722,1253 1.648,1254 0.96,1255 1.673,1256 1.2,1257 1.14,1258 1.492,1259 1.438,1260 0.76,1261 1.453,1262 0.985,1263 0.926,1264 1.285,1265 1.23,1266 0.525,1267 1.248,1268 0.774,1269 0.703,1270 1.098,1271 1.033,1272 0.258,1273 1.06,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.669,1290 10.21,1294 3.37,1300 28.299,1301 64.028,1302 136.258,1303 190.856,1304 236.101,1305 253.121,1306 257.121,1307 38.672,1308 6.799,1309 50.19,1310 50.19,1311 16,1312 12.332,1313 3,1314 2.322,1315 34.671,1316 76,1317 90,1318 0.216,1319 173.922,1320 307.3,1321 416.13,1322 7413,1324 15.364,1325 0.698,1326 0.604,1327 15.364,1328 13.285,1329 10.754,1330 0.448,1331 0.37,1332 8.825,1333 10.53,1334 8.664,1335 7.161,1336 10.754,1337 8.872,1338 9.358,1339 0.292,1340 0.224,1341 9.358,1342 7.156,1343 7.421,1344 0.177,1345 0.139,1346 7.421,1347 5.836,1348 6.423,1349 0.111,1350 0.085,1351 6.423,1352 4.928,1353 4.951,1354 0.072,1355 0.051,1356 4.951,1357 3.543,1358 0.342,1359 66.179,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 249.53,1365 117.816,1366 242.715,1367 323.01,1368 226,1369 130,1370 225.779,1371 134.157,1372 229.513,1373 330.35,1374 217,1375 6.903} {0 CHEMBL300109,1 1.359,2 6.375,3 1.574,4 2.479,5 63.008,6 6.881,7 0.611,8 3.534,9 3.667,10 3.065,11 3.095,12 4.518,13 3.057,14 4.096,15 4.292,16 3.371,17 3.512,18 4.974,19 3.438,20 4.352,21 4.602,22 3.289,23 3.623,24 5.083,25 3.482,26 4.364,27 4.634,28 3.175,29 3.554,30 5.079,31 3.397,32 4.287,33 4.569,34 3.071,35 3.445,36 5.037,37 3.284,38 4.122,39 4.418,40 2.875,41 3.233,42 4.904,43 3.069,44 3.781,45 4.088,46 2.476,47 2.822,48 4.631,49 2.656,50 3.178,51 3.512,52 1.477,53 2.117,54 3.902,55 1.88,56 0.026,57 0.48,58 6.912,59 2.761,60 5.955,61 3.986,62 0.123,63 0.791,64 12.971,65 4.682,66 10.709,67 6.891,68 0.115,69 0.92,70 17.306,71 6.564,72 12.657,73 9.696,74 0.136,75 0.904,76 17.848,77 6.394,78 14.434,79 9.608,80 0.16,81 0.828,82 16.706,83 5.86,84 15.436,85 8.828,86 0.109,87 0.684,88 14.247,89 4.91,90 15.014,91 7.503,92 0.122,93 0.482,94 10.269,95 3.206,96 14.944,97 4.998,98 0.058,99 0.236,100 5.626,101 1.75,102 7.993,103 2.758,105 24,106 0.258,107 0.622,108 0.843,109 0.892,110 0.892,111 0.892,112 2.854,113 0.971,114 -3.15,115 -3.14,116 -3.02,118 41.9,120 3,121 1,124 1,140 2,141 1,143 2,144 1,149 1,156 1,168 6,171 1,172 4,180 6,186 5,194 5,198 4,206 3,209 1,210 4,218 1,222 2,233 1,234 2,270 254,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.927,277 9.833,278 6.911,279 11.515,280 8.932,281 8.932,282 8.932,283 8.932,284 8.932,285 6.983,286 5.747,287 3.299,288 9.308,289 3.596,290 1.679,291 0.516,292 0.258,293 0.258,294 0.258,295 3.536,299 1,300 1,301 225,302 1.732,305 35.982,306 67.149,310 57.684,313 1,314 6.057,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33.5,326 102,327 4.316,328 3.278,329 6.515,330 4.032,331 3.045,332 3.875,334 10.241,335 3.005,336 3.917,337 2.651,338 5.468,339 3.454,340 2.532,341 3.477,343 7.273,344 2.335,345 3.245,346 2.2,347 5.045,348 2.977,349 2.013,350 2.401,352 5.843,353 1.935,354 2.944,355 1.704,356 4.15,357 2.614,358 1.618,359 2.103,361 3.782,362 1.612,363 2.667,364 1.33,365 3.6,366 2.259,367 1.283,368 1.727,370 2.862,371 1.252,372 2.498,373 1.25,374 3.469,375 2.138,376 1.201,377 1.498,379 2.628,380 1.122,381 2.123,382 0.865,383 3.239,384 1.804,385 0.846,386 1.055,388 1.96,389 0.809,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.118,400 0.069,401 2.654,402 0.914,403 -0.056,404 -0.063,406 -0.143,407 -0.054,408 0.683,409 -0.47,410 2.308,411 0.357,412 -0.618,413 -0.73,415 -1.478,416 -0.6,417 0.618,418 -0.534,419 2,420 0.276,421 -0.684,422 -0.817,424 -1.737,425 -0.654,426 0.251,427 -1.017,428 1.888,429 -0.08,430 -1.053,431 -1.407,433 -2.522,434 -1.023,435 -0.118,436 -1.388,437 1.3,438 -0.539,439 -1.502,440 -1.753,442 -3.528,443 -1.432,444 -0.177,445 -1.497,446 1.178,447 -0.68,448 -1.618,449 -2.093,451 -4.372,452 -1.484,453 -0.414,454 -1.618,455 1,456 -0.709,457 -1.65,458 -2.182,460 -4.514,461 -1.585,462 7.7,463 0.481,464 0.239,465 0.015,466 20.75,467 1.297,468 10,469 0.625,470 10.75,471 0.672,472 10.968,473 0.685,474 16.9,475 0.545,476 10.609,477 0.663,478 3.802,479 0.238,480 4.131,481 0.258,484 0.247,487 0.853,488 1.452,489 0.828,490 1.144,491 0.607,492 1.011,493 1.178,494 1.043,495 1.033,496 0.994,497 0.903,498 0.998,499 0.874,500 1.05,501 1.035,502 1.092,503 0.924,504 1.082,505 1.004,506 1.023,507 1.063,508 1.06,509 1.046,510 1.066,511 0.972,512 0.905,513 1.026,514 0.979,515 1.007,516 1.003,517 0.925,518 0.995,519 0.917,520 0.955,521 0.893,522 0.938,523 1.158,524 0.866,525 0.998,526 0.881,527 1.311,528 0.916,529 1.257,530 0.807,531 1.093,532 0.895,533 1.569,534 0.963,535 2,537 1.333,538 0.785,539 0.511,540 0.208,541 0.096,542 0.058,543 0.01,545 2081,546 4581,547 2.213,548 48.4,549 4,550 4,551 1,552 3,554 2,555 1,558 1.552,559 2.182,560 2.743,561 -0.795,563 1,564 1,565 1,567 42.116,568 1.359,569 3.276,570 4.438,571 4.696,572 4.696,573 4.696,574 2.18,575 3.5,576 3.977,577 2.819,578 338.326,579 6.699,580 2887.47,582 1,584 1,585 153.58,586 0.811,587 3.975,588 0.111,590 0.056,591 0.037,592 0.028,593 0.013,594 0.007,595 0.007,596 0.005,598 0.265,599 1,600 1,602 63.523,603 0.065,604 -0.282,605 0.087,606 -0.098,607 0.251,608 -0.019,609 -0.064,610 0.072,611 -0.083,612 -0.009,613 0.002,614 -0.041,615 -0.07,616 -0.084,617 -0.091,618 -0.093,619 -0.115,620 -0.094,621 -0.099,622 -0.078,623 -0.101,624 -0.089,625 -0.16,626 -0.094,627 -0.004,628 0.033,629 -0.053,630 -0.023,631 -0.079,632 -0.039,633 0.008,634 -0.095,635 0.064,636 -0.001,637 0.095,638 0.03,639 0.055,640 0.057,641 0.011,642 0.021,643 0.069,644 0.013,645 -0.165,646 0.039,647 -0.083,648 0.005,649 -0.231,650 -0.025,651 0.73,652 1.474,653 0.938,654 8.141,655 0.987,656 1.129,657 1.917,658 3.674,659 0.664,660 2.944,661 3.219,662 3.497,663 3.761,664 3.892,665 3.871,666 3.951,667 3.989,668 3.97,669 3.664,670 4.061,671 0.62,672 213.31,673 2.944,674 4.443,675 5.283,676 6.142,677 6.999,678 7.864,679 8.726,680 9.594,681 10.458,682 11.328,683 9.7,691 1,693 2,699 6,700 2,704 2,705 1,706 11,724 31,726 11,728 18,730 33,731 13,733 8,739 3,740 4,748 3,749 1,751 3,753 8,754 5,755 1,769 1,772 15,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,832 2,840 16,846 4,850 1,869 7.333,870 5.433,871 3.556,872 2.004,874 1.947,875 1.312,876 0.999,877 2.548,878 8.195,879 3.199,880 3.732,881 4.264,882 4.774,883 5.043,884 5.098,885 5.395,886 5.662,887 5.913,888 5.901,889 1,890 21,891 5.911,893 2.478,894 7.417,895 11.786,897 9.948,899 1.917,900 30.667,901 0.007,904 176.567,905 70.365,906 35.47,911 70.365,912 176.567,913 35.47,915 9.709,916 28,917 77.503,918 25.936,919 11.771,920 129.482,922 176.567,923 105.835,927 164.795,928 11.771,931 41.079,932 31.185,933 33.571,935 176.567,936 35.47,937 70.365,940 176.567,941 15.652,942 56.612,944 33.571,945 176.567,946 35.47,947 70.365,949 0.565,950 0.333,951 0.192,952 0.094,953 13,954 4,955 0.061,956 2,957 1,958 1.133,959 2.968,960 110.544,961 0.133,962 15,963 64,968 9.737,969 4.186,970 1.943,972 33.571,973 11.939,974 8.565,978 2.723,979 2.159,981 282.402,982 23.5,994 30.607,995 34.986,996 0.274,997 0.661,998 0.896,999 0.948,1000 0.948,1001 0.948,1002 4.391,1003 0.618,1004 5.22,1005 1.96,1006 3.892,1007 4.413,1009 5.984,1010 3.818,1011 5.542,1012 -0.056,1013 6.735,1014 1.372,1015 3.219,1016 3.861,1018 6.783,1019 3.126,1020 6.805,1021 -0.618,1022 8.356,1023 -0.143,1024 5.416,1025 6.489,1027 9.914,1028 5.283,1029 8.108,1030 -0.684,1031 10.047,1032 -1.478,1033 5.673,1034 6.88,1036 11.63,1037 5.529,1038 9.448,1039 -1.053,1040 11.784,1041 -1.737,1042 7.239,1043 8.845,1045 14.232,1046 7.068,1047 10.814,1048 -1.502,1049 13.554,1050 -2.522,1051 7.943,1052 9.682,1054 16.307,1055 7.768,1056 12.199,1057 -1.618,1058 15.346,1059 -3.528,1060 9.239,1061 11.346,1063 18.734,1064 9.046,1065 3.045,1066 -1.65,1067 17.156,1068 -4.372,1069 10.156,1070 12.409,1072 20.956,1073 9.963,1074 2.532,1075 10.241,1076 18.978,1077 -4.514,1078 11.338,1079 13.924,1081 23.32,1082 11.132,1083 2.013,1084 7.273,1085 20.81,1086 3.875,1087 12.356,1088 15.107,1090 25.602,1091 12.148,1092 1.618,1093 5.843,1094 22.65,1095 3.477,1096 13.491,1097 16.544,1099 27.943,1100 13.273,1101 1.283,1102 3.782,1103 24.496,1104 2.401,1105 14.556,1106 17.793,1108 30.249,1109 14.335,1110 1.201,1111 2.862,1112 26.347,1113 2.103,1114 15.674,1115 19.19,1117 32.582,1118 15.443,1119 0.846,1120 2.628,1121 28.202,1122 1.727,1123 16.762,1124 20.477,1126 34.899,1127 16.525,1128 1994,1129 3020,1130 12.712,1131 20.586,1132 26.767,1133 26.226,1134 26.305,1135 26.286,1136 26.312,1137 34.128,1139 71.922,1140 25.294,1141 5.265,1142 5.278,1143 6.204,1144 5.071,1145 5.045,1146 6.875,1148 17.076,1149 5.005,1151 1.487,1152 1.457,1153 1.461,1154 1.46,1155 1.462,1156 1.896,1158 3.996,1159 1.405,1160 4.029,1161 4.078,1162 3.961,1163 3.923,1164 4.96,1165 3.925,1166 3.856,1167 3.917,1168 3.798,1169 3.662,1170 4.861,1171 3.69,1172 3.5,1173 3.563,1174 3.358,1175 3.376,1176 4.101,1177 3.364,1178 3.204,1179 3.281,1180 3.038,1181 3.053,1182 3.874,1183 3.039,1184 2.82,1185 2.911,1186 2.635,1187 2.667,1188 3.635,1189 2.647,1190 2.691,1191 2.769,1192 2.549,1193 2.511,1194 3.357,1195 2.508,1196 2.506,1197 2.609,1198 2.296,1199 2.301,1200 3.336,1201 2.288,1202 2.442,1203 2.551,1204 2.234,1205 2.196,1206 3.149,1207 2.188,1208 0.24,1209 0.182,1210 0.362,1211 0.224,1212 0.169,1213 4.316,1214 0.215,1215 3.278,1217 6.515,1218 0.569,1219 4.032,1220 0.167,1221 3.045,1222 3.875,1224 10.241,1225 3.005,1226 1.976,1227 1.939,1228 2.115,1229 2.092,1230 1.454,1231 2.102,1232 1.589,1233 1.527,1234 1.761,1235 1.801,1236 0.984,1237 1.79,1238 1.471,1239 1.404,1240 1.706,1241 1.651,1242 0.842,1243 1.677,1244 1.299,1245 1.231,1246 1.488,1247 1.526,1248 0.599,1249 1.516,1250 1.082,1251 1.006,1252 1.346,1253 1.298,1254 0.417,1255 1.326,1256 0.814,1257 0.743,1258 1.141,1259 1.017,1260 0.275,1261 1.066,1262 0.614,1263 0.522,1264 0.957,1265 0.867,1266 0.077,1267 0.899,1268 0.416,1269 0.299,1270 0.837,1271 0.715,1273 0.766,1274 3.611,1276 4.89,1277 2.398,1278 6.378,1279 4.443,1280 7.967,1281 6.26,1282 9.61,1290 4.676,1294 0.603,1300 19.225,1301 42.116,1302 101.541,1303 137.58,1304 145.58,1305 145.58,1306 145.58,1307 15.366,1308 6.248,1309 30.71,1310 30.71,1311 17,1312 11.872,1313 3.585,1314 2.7,1315 21.738,1316 38,1317 32,1318 0.285,1319 119.037,1320 194.38,1321 282.209,1322 3648,1324 10.795,1325 0.675,1326 0.576,1327 10.795,1328 9.212,1329 7.933,1330 0.441,1331 0.324,1332 5.767,1333 7.689,1334 5.656,1335 4.679,1336 7.933,1337 5.828,1338 6.786,1339 0.283,1340 0.183,1341 6.786,1342 4.388,1343 5.834,1344 0.182,1345 0.104,1346 5.834,1347 3.322,1348 5.039,1349 0.12,1350 0.061,1351 5.039,1352 2.541,1353 3.738,1354 0.078,1355 0.037,1356 3.738,1357 1.767,1358 0.426,1359 49.162,1360 0.28,1361 15.993,1362 0.844,1363 84,1364 196.935,1365 89.245,1366 195.977,1367 275.52,1368 186,1369 98,1370 207.394,1371 104.023,1372 212.206,1373 305.97,1374 200,1375 5.699} {0 CHEMBL300130,1 1.558,2 22.839,3 6.186,4 38.265,5 215.369,6 7.206,7 0.361,8 4.766,9 4.89,10 4.29,11 4.288,12 5.818,13 4.255,14 5.35,15 5.535,16 4.663,17 4.716,18 6.403,19 4.648,20 5.7,21 5.929,22 4.797,23 4.932,24 6.661,25 4.835,26 5.803,27 6.034,28 4.798,29 4.994,30 6.76,31 4.887,32 5.866,33 6.101,34 4.839,35 5.025,36 6.901,37 4.906,38 5.925,39 6.182,40 4.795,41 4.995,42 6.975,43 4.861,44 5.847,45 6.105,46 4.634,47 4.906,48 6.819,49 4.759,50 5.733,51 6.001,52 4.565,53 4.804,54 6.653,55 4.656,56 0.065,57 1.568,58 23.788,59 10.256,60 18.469,61 13.879,62 0.544,63 2.604,64 46.284,65 17.231,66 88.148,67 24.578,68 0.935,69 3.364,70 71.333,71 24.27,72 114.722,73 34.729,74 0.892,75 3.629,76 78.434,77 26.825,78 129.524,79 37.849,80 0.976,81 3.738,82 83.952,83 29.461,84 188.953,85 41.55,86 1.47,87 3.756,88 93.725,89 30.378,90 235.451,91 43.292,92 1.259,93 3.396,94 90.252,95 28.127,96 197.258,97 39.573,98 0.85,99 3.066,100 80.121,101 25.669,102 140.395,103 36.706,104 70,105 84,106 0.222,107 0.533,108 0.746,109 0.881,110 0.902,111 0.902,112 4.045,113 0.997,114 -4.37,115 -4.3,116 -4.06,118 39.4,120 12,123 1,124 4,126 3,140 9,141 4,142 2,143 2,150 2,154 4,163 2,167 2,168 18,171 2,172 12,173 1,175 2,177 5,178 1,180 20,181 1,185 1,186 13,189 4,190 1,191 4,194 18,195 1,197 1,198 12,199 1,201 1,203 4,206 21,207 4,209 1,210 14,211 2,213 1,215 6,216 1,218 20,219 5,221 2,222 15,225 4,226 2,227 8,228 1,229 19,230 2,234 10,237 1,238 1,239 3,242 15,243 3,244 1,247 9,248 2,252 7,253 2,255 14,256 5,258 3,259 11,262 4,263 1,264 7,267 11,268 1,270 8594,271 37.794,272 37.794,273 37.794,274 37.794,275 37.794,276 34.498,277 41.569,278 22.622,279 38.375,280 30.11,281 30.11,282 30.11,283 30.11,284 30.11,285 25.036,286 49.6,287 10.752,288 31.076,289 5.21,290 3.028,291 1.535,292 0.594,293 0.447,294 0.447,295 4.75,297 1,301 2774,302 5.568,305 163.93,306 807.937,307 216.525,309 304.369,311 361.511,313 3.594,314 70.887,317 0.5,318 0.33,319 0.5,320 0.8,321 1,322 0.33,324 0.5,325 121.333,326 1279,327 4.791,328 3.907,329 7.117,330 4.349,331 3.378,332 4.755,333 2.378,334 12.358,335 3.281,336 4.403,337 3.738,338 6.759,339 4.144,340 3.178,341 3.909,342 2.375,343 11.02,344 3.069,345 4.036,346 3.716,347 6.091,348 3.784,349 2.822,350 3.639,351 1.983,352 8.77,353 2.709,354 3.961,355 3.578,356 6.083,357 3.752,358 2.775,359 3.188,360 1.94,361 8.706,362 2.703,363 3.96,364 3.454,365 6.029,366 3.602,367 2.628,368 3.11,369 0.656,370 8.588,371 2.562,372 3.796,373 3.01,374 5.845,375 3.507,376 2.506,377 3.095,378 0.555,379 7.868,380 2.498,381 3.633,382 2.899,383 5.609,384 3.38,385 2.406,386 2.994,387 0.434,388 6.945,389 2.342,390 3.533,391 2.698,392 5.313,393 3.247,394 2.26,395 2.84,396 0.4,397 6.859,398 2.211,399 3.483,400 2.494,401 5.285,402 3.14,403 2.225,404 2.684,406 6.422,407 2.091,408 3.461,409 2.491,410 5.077,411 3.103,412 2.143,413 2.477,415 6.049,416 1.949,417 3.174,418 2.335,419 4.789,420 2.88,421 1.894,422 2.457,424 4.858,425 1.849,426 3.128,427 2.201,428 4.569,429 2.742,430 1.759,431 2.219,433 4.8,434 1.724,435 2.915,436 2.156,437 4.233,438 2.672,439 1.734,440 2.089,442 4.058,443 1.647,444 2.823,445 1.846,446 4.15,447 2.655,448 1.662,449 1.831,451 3.52,452 1.579,453 2.76,454 1.841,455 3.89,456 2.473,457 1.476,458 1.783,460 3.355,461 1.469,462 26.614,463 0.475,464 1.33,465 0.024,466 62.5,467 1.116,468 26.5,469 0.473,470 36,471 0.643,472 70.479,473 1.259,474 62.786,475 0.576,476 57.912,477 1.034,478 11.674,479 0.208,480 15.426,481 0.275,482 0.121,484 0.327,487 0.75,488 1.407,489 0.77,490 1.118,491 0.62,492 1.025,493 0.601,494 1.245,495 0.836,496 1.063,497 0.423,498 1.044,499 0.829,500 1.009,501 0.915,502 0.947,503 0.79,504 0.961,505 1.038,506 1.002,507 0.972,508 0.999,509 1.012,510 1.031,511 0.886,512 1.114,513 0.896,514 1.087,515 0.931,516 1.077,517 0.941,518 0.941,519 0.935,520 0.963,521 0.987,522 0.982,523 1.218,524 0.916,525 1.147,526 0.975,527 1.23,528 1.015,529 0.946,530 0.969,531 1.005,532 1.005,533 0.922,534 0.982,535 9.5,536 0.381,537 6.222,538 4.611,539 3.524,540 2.237,541 1.232,542 0.895,543 0.626,544 0.496,545 84699,546 222663,547 2.064,548 48.6,549 12,550 23,552 2,553 4,554 2,555 6,556 4,558 1.869,559 1.931,560 4.328,561 1.232,567 169.803,568 1.558,569 3.74,570 5.233,571 6.174,572 6.321,573 6.321,574 3.715,575 5.472,576 5.788,577 4.689,578 7221.4,579 10.267,580 187000,585 737.732,586 1.41,587 5.737,588 0.156,589 0.006,590 0.074,591 0.049,592 0.038,593 0.024,594 0.014,595 0.013,596 0.009,597 0.008,598 0.392,600 0.5,601 0.78,602 361.974,603 -0.054,604 -0.137,605 0.027,606 -0.007,607 -0.025,608 0.02,609 0.117,610 -0.061,611 0.01,612 -0.029,613 0.146,614 -0.034,615 0.021,616 0.058,617 0.008,618 0.049,619 -0.013,620 0.034,621 -0.113,622 0.043,623 -0.078,624 -0.014,625 -0.086,626 -0.045,627 0.023,628 -0.115,629 -0.007,630 -0.087,631 0.04,632 -0.075,633 0.073,634 0.01,635 0.026,636 0.005,637 0.058,638 0.001,639 -0.123,640 0.017,641 -0.091,642 0.002,643 -0.114,644 -0.032,645 -0.031,646 -0.039,647 0.028,648 -0.016,649 -0.023,650 0.02,651 2.795,652 6.41,653 0.571,654 93.681,655 1.001,656 1.13,657 3.138,658 9.847,659 0.65,660 4.127,661 4.443,662 4.718,663 4.99,664 5.242,665 5.338,666 5.425,667 5.509,668 5.545,669 5.517,670 14.095,671 0.614,672 785.47,673 4.127,674 5.673,675 6.524,676 7.402,677 8.276,678 9.164,679 10.05,680 10.944,681 11.836,682 12.735,683 5.5,685 2,690 2,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 109,726 26,727 2,728 61,730 114,731 43,733 19,734 5,735 7,739 6,740 8,741 1,748 6,751 15,753 23,754 20,756 4,761 4,765 4,772 53,773 11,774 4,775 13,776 1,779 6,784 0.667,785 6,795 1,797 1,801 1,802 4,803 1,805 1,807 1,817 2,818 2,826 2,830 2,832 4,836 1,837 1,840 56,845 2,846 16,847 2,850 3,851 2,861 1,862 5.5,864 2,865 4,869 29,870 19.176,871 12.417,872 7.04,874 4.027,875 1.426,876 0.949,877 14.854,878 13.479,879 4.344,880 4.877,881 5.4,882 5.96,883 6.498,884 6.794,885 7.189,886 7.569,887 7.777,888 7.954,889 1,890 94,891 21.012,893 9.131,894 7.823,895 40.228,897 33.881,899 2.323,900 130.111,904 576.784,905 185.132,906 60.955,907 39.149,908 185.946,911 185.132,912 801.879,913 60.955,914 8.396,915 45.086,916 121.308,917 237.503,918 38.381,919 4.901,920 553.242,921 39.149,922 576.784,923 246.086,924 185.946,925 39.149,927 459.073,928 303.657,931 101.101,932 128.2,933 55.934,935 576.784,936 246.901,937 224.28,940 576.784,941 73.354,942 119.925,943 36.022,944 241.881,945 576.784,946 246.901,947 224.28,949 0.576,950 0.335,951 0.185,952 0.109,953 36,954 18,955 0.158,956 18,957 2,958 1.125,959 6.29,960 597.811,961 0.125,962 32,963 321.212,968 41.679,969 19.958,970 10.723,971 2.301,972 245.002,973 20.988,974 4.348,978 5.646,979 2.219,980 121.388,981 1047.96,982 76,987 50.25,991 -2.366,994 109.105,995 123.155,996 0.23,997 0.553,998 0.773,999 0.912,1000 0.934,1001 0.934,1002 5.597,1003 2.26,1004 6.503,1005 6.945,1006 5.13,1007 5.566,1008 3.52,1009 7.319,1010 5.069,1011 6.773,1012 2.225,1013 8.065,1014 6.859,1015 4.691,1016 5.366,1017 3.275,1018 8.261,1019 4.579,1020 8.069,1021 2.143,1022 9.733,1023 6.422,1024 6.72,1025 7.685,1026 4.782,1027 11.401,1028 6.599,1029 9.399,1030 1.894,1031 11.466,1032 6.049,1033 7.132,1034 8.368,1035 5.162,1036 13.233,1037 6.965,1038 10.767,1039 1.759,1040 13.243,1041 4.858,1042 8.618,1043 10.192,1044 6.274,1045 15.907,1046 8.437,1047 12.164,1048 1.734,1049 15.051,1050 4.8,1051 9.433,1052 11.312,1053 6.904,1054 18.115,1055 9.21,1056 13.584,1057 1.662,1058 16.881,1059 4.058,1060 10.711,1061 12.953,1062 7.866,1063 20.648,1064 10.468,1065 3.378,1066 1.476,1067 18.729,1068 3.52,1069 11.72,1070 14.296,1071 8.612,1072 23.018,1073 11.441,1074 3.178,1075 12.358,1076 20.592,1077 3.355,1078 12.923,1079 15.87,1080 9.511,1081 25.513,1082 12.618,1083 2.822,1084 11.02,1085 22.466,1086 4.755,1087 14.026,1088 17.323,1089 10.314,1090 27.953,1091 13.687,1092 2.775,1093 8.77,1094 24.351,1095 3.909,1096 15.207,1097 18.875,1098 11.188,1099 30.442,1100 14.841,1101 2.628,1102 8.706,1103 26.245,1104 3.639,1105 16.354,1106 20.381,1107 12.019,1108 32.914,1109 15.955,1110 2.506,1111 8.588,1112 28.146,1113 3.188,1114 17.534,1115 21.929,1116 12.883,1117 35.405,1118 17.107,1119 2.406,1120 7.868,1121 30.053,1122 3.11,1123 18.704,1124 23.46,1125 13.729,1126 37.892,1127 18.246,1128 78920,1129 128268,1130 40.569,1131 70.893,1132 91.32,1133 93.781,1134 93.737,1135 90.749,1136 90.436,1137 111.362,1138 21.444,1139 256.751,1140 87.622,1141 5.791,1142 5.907,1143 6.919,1144 5.395,1145 5.378,1146 7.755,1147 3.993,1148 19.863,1149 5.281,1150 31.965,1151 1.497,1152 1.537,1153 1.537,1154 1.488,1155 1.483,1156 1.826,1157 0.352,1158 4.209,1159 1.436,1160 4.18,1161 4.21,1162 4.181,1163 4.101,1164 7.477,1165 4.108,1166 4.012,1167 4.049,1168 3.951,1169 3.915,1170 7.471,1171 3.917,1172 3.903,1173 3.962,1174 3.822,1175 3.746,1176 7.428,1177 3.748,1178 3.81,1179 3.849,1180 3.794,1181 3.719,1182 7.425,1183 3.72,1184 3.783,1185 3.832,1186 3.685,1187 3.632,1188 6.352,1189 3.634,1190 3.705,1191 3.766,1192 3.629,1193 3.577,1194 6.35,1195 3.563,1196 3.615,1197 3.666,1198 3.551,1199 3.465,1200 5.026,1201 3.465,1202 3.542,1203 3.579,1204 3.514,1205 3.363,1206 4.879,1207 3.361,1208 0.079,1209 0.064,1210 0.117,1211 0.071,1212 0.055,1213 4.791,1214 0.078,1215 3.907,1216 0.039,1217 7.117,1218 0.203,1219 4.349,1220 0.054,1221 3.378,1222 4.755,1223 2.378,1224 12.358,1225 3.281,1226 1.945,1227 1.926,1228 2.065,1229 2.052,1230 1.418,1231 2.059,1232 1.923,1233 1.895,1234 2.042,1235 2.023,1236 1.368,1237 2.024,1238 1.882,1239 1.846,1240 2.035,1241 2.016,1242 1.336,1243 2.023,1244 1.855,1245 1.797,1246 1.987,1247 1.999,1248 1.275,1249 2.006,1250 1.779,1251 1.728,1252 1.976,1253 1.974,1254 1.173,1255 1.973,1256 1.722,1257 1.666,1258 1.931,1259 1.887,1260 1.104,1261 1.907,1262 1.647,1263 1.593,1264 1.854,1265 1.838,1266 1.094,1267 1.85,1268 1.527,1269 1.474,1270 1.734,1271 1.725,1272 0.945,1273 1.725,1274 4.812,1276 6.129,1277 2.398,1278 7.631,1279 5.043,1280 9.223,1281 7.368,1282 10.867,1284 2.084,1285 6.407,1289 19.42,1290 10.372,1291 6.625,1294 -1.413,1295 3.231,1300 66.888,1301 169.803,1302 407.689,1303 570.37,1304 672.977,1305 688.977,1306 688.977,1307 166.572,1308 9.452,1309 157.1,1310 157.1,1311 36,1312 13.259,1313 4.755,1314 4,1315 97.054,1316 497,1317 345,1318 0.091,1319 410.973,1320 731.69,1321 994.535,1322 294456,1323 0.9,1324 39.606,1325 0.707,1326 0.587,1327 40.106,1328 32.847,1329 27.1,1330 0.444,1331 0.332,1332 19.688,1333 25.876,1334 19.284,1335 15.882,1336 27.389,1337 20.265,1338 24.217,1339 0.288,1340 0.184,1341 24.625,1342 15.487,1343 19.955,1344 0.18,1345 0.104,1346 20.218,1347 11.497,1348 16.547,1349 0.113,1350 0.058,1351 16.767,1352 8.504,1353 13.901,1354 0.074,1355 0.033,1356 14.172,1357 6.245,1358 0.154,1359 172.338,1360 0.157,1361 48.591,1362 0.225,1363 290,1364 818.691,1365 331.543,1366 815.296,1367 1082.86,1368 758,1369 340,1370 751.187,1371 375.349,1372 765.937,1373 1120.16,1374 723,1375 7.699} {0 CHEMBL30024,1 1.481,2 10.857,3 4.575,4 20.93,5 107.288,6 7.9,7 0.4,8 4.022,9 4.109,10 3.618,11 3.577,12 5.163,13 3.555,14 4.558,15 4.682,16 3.981,17 3.959,18 5.742,19 3.91,20 4.856,21 5.037,22 4.089,23 4.108,24 5.89,25 4.032,26 4.953,27 5.144,28 4.107,29 4.078,30 6.056,31 4.008,32 4.871,33 5.063,34 4.007,35 4.095,36 5.865,37 4.012,38 4.938,39 5.144,40 3.98,41 4.15,42 5.943,43 4.035,44 4.918,45 5.145,46 3.947,47 4.111,48 5.884,49 3.986,50 4.816,51 5.025,52 3.967,53 4.021,54 5.92,55 3.907,56 0.09,57 0.621,58 9.874,59 5.186,60 17.412,61 6.072,62 0.401,63 1.012,64 19.215,65 8.683,66 51.016,67 10.44,68 0.394,69 1.309,70 30.223,71 11.738,72 64.481,73 14.531,74 0.903,75 1.356,76 38.863,77 12.33,78 95.424,79 14.876,80 0.502,81 1.324,82 31.116,83 11.742,84 65.34,85 14.573,86 0.643,87 1.408,88 35.758,89 12.865,90 82.151,91 16.32,92 0.523,93 1.385,94 34.683,95 12.691,96 71.392,97 16.453,98 0.535,99 1.217,100 34.045,101 11.535,102 73.524,103 14.569,104 23,105 40,106 0.25,107 0.593,108 0.766,109 0.884,110 0.923,111 0.93,112 3.375,113 0.96,114 -4.89,115 -4.79,116 -4.5,118 43.1,120 3,121 1,124 1,126 1,127 1,133 2,140 8,141 2,142 2,154 1,163 1,167 1,168 13,169 1,171 1,172 6,175 1,177 3,180 15,181 1,186 6,191 3,194 11,195 1,198 12,201 1,203 3,206 9,207 1,210 7,215 2,218 10,219 1,222 5,225 1,227 3,229 16,230 1,234 4,239 3,242 18,248 2,252 4,255 18,256 1,258 2,259 1,262 2,264 3,267 14,268 1,270 1476,271 18.88,272 18.88,273 18.88,274 18.88,275 18.88,276 16.855,277 17.536,278 11.507,279 19.116,280 14.82,281 14.82,282 14.82,283 14.82,284 14.82,285 11.966,286 17.819,287 5.477,288 15.293,289 4.191,290 2.157,291 1.128,292 0.431,293 0.196,294 0.157,295 4.058,297 1,299 1,300 1,301 636,302 3.391,306 283.631,313 1.663,314 36.064,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 61.333,326 304,327 4.352,328 3.644,329 6.691,330 4.122,331 3.154,332 3.87,333 2.341,334 10.824,335 3.046,336 4.232,337 3.597,338 6.42,339 3.881,340 2.914,341 3.821,342 1.902,343 9.822,344 2.807,345 3.672,346 3.297,347 5.679,348 3.434,349 2.466,350 2.807,351 0.869,352 7.448,353 2.384,354 3.556,355 2.812,356 5.045,357 3.238,358 2.233,359 2.717,360 0.22,361 5.729,362 2.219,363 3.226,364 2.513,365 4.659,366 2.962,367 2.009,368 2.352,370 5.183,371 1.888,372 3.085,373 2.159,374 4.544,375 2.67,376 1.695,377 2.186,379 4.435,380 1.648,381 2.869,382 1.95,383 3.944,384 2.469,385 1.488,386 2.021,388 3.255,389 1.454,390 2.859,391 1.667,392 3.798,393 2.391,394 1.414,395 2.008,397 3.101,398 1.374,399 2.803,400 1.535,401 3.631,402 2.352,403 1.414,404 1.865,406 3.032,407 1.263,408 2.484,409 1.462,410 3.583,411 2.133,412 1.147,413 1.476,415 2.802,416 1.122,417 2.2,418 1.303,419 3.573,420 1.933,421 1,422 1.164,424 2.534,425 0.923,426 1.924,427 1.169,428 3.062,429 1.769,430 0.775,431 0.838,433 1.664,434 0.765,435 1.377,436 0.744,437 2.657,438 1.099,439 0.148,440 0.171,442 0.336,443 0.136,444 1.092,445 0.483,446 2.607,447 0.75,448 -0.164,449 -0.194,451 -0.368,452 -0.125,453 1,454 0.344,455 2.208,456 0.678,457 -0.236,458 -0.268,460 -0.519,461 -0.209,462 13.381,463 0.478,464 0.613,465 0.022,466 32,467 1.143,468 15,469 0.536,470 17,471 0.607,472 25.831,473 0.923,474 31.019,475 0.608,476 24.858,477 0.888,478 6.515,479 0.233,480 7.044,481 0.252,482 0.128,484 0.299,487 0.827,488 1.091,489 0.675,490 0.987,491 0.808,492 0.92,493 0.807,494 1.158,495 0.802,496 1.066,497 0.539,498 1.063,499 0.972,500 1.145,501 0.894,502 1.072,503 0.875,504 1.036,505 1.222,506 0.929,507 1.067,508 0.982,509 0.89,510 0.961,511 1.055,512 1.007,513 0.883,514 0.955,515 0.752,516 0.976,517 0.925,518 0.979,519 1.045,520 0.997,521 0.825,522 1.044,523 0.851,524 0.932,525 0.87,526 0.893,527 0.751,528 0.943,529 0.914,530 1.002,531 1.108,532 1.039,533 0.891,534 1.022,535 4.5,536 0.149,537 3.111,538 1.813,539 1.218,540 0.896,541 0.687,542 0.391,543 0.271,544 0.201,545 9152,546 29680,547 2.034,548 45.1,549 4,550 13,551 1,553 2,554 2,556 1,558 1.716,559 1.909,560 3.385,561 0.212,567 75.535,568 1.481,569 3.515,570 4.545,571 5.241,572 5.476,573 5.516,574 2.91,575 4.664,576 4.769,577 3.585,578 1354.96,579 8.329,580 18040.1,582 1,585 289.294,586 1.379,587 4.74,588 0.15,589 0.008,590 0.078,591 0.043,592 0.03,593 0.022,594 0.018,595 0.011,596 0.008,597 0.008,598 0.377,599 0.17,600 1,601 1.603,602 140.428,603 -0.074,604 0.029,605 0.004,606 0.035,607 -0.101,608 0.041,609 0.089,610 -0.093,611 -0.036,612 -0.072,613 0.116,614 -0.108,615 -0.068,616 -0.14,617 0.005,618 -0.088,619 -0.066,620 -0.057,621 -0.024,622 0.035,623 -0.022,624 -0.014,625 -0.018,626 -0.006,627 -0.117,628 -0.008,629 -0.027,630 0.012,631 -0.052,632 -0.003,633 -0.055,634 0.008,635 -0.096,636 -0.012,637 -0.057,638 -0.051,639 -0.061,640 0.045,641 0.041,642 0.084,643 -0.04,644 0.064,645 -0.028,646 -0.032,647 -0.001,648 -0.03,649 -0.027,650 -0.015,651 2.483,652 4.333,653 0.643,654 29.337,655 1.011,656 1.117,657 3.658,658 13.379,659 0.672,660 3.434,661 3.714,662 3.951,663 4.19,664 4.419,665 4.466,666 4.625,667 4.745,668 4.779,669 4.804,670 6.557,671 0.642,672 402.9,673 3.434,674 4.949,675 5.778,676 6.637,677 7.492,678 8.363,679 9.231,680 10.109,681 10.985,682 11.868,699 8,704 4,706 12,721 1,723 1,724 51,726 14,727 2,728 30,730 53,731 22,733 12,734 4,735 8,739 3,740 3,741 1,748 1,749 1,751 4,753 15,754 7,755 1,756 2,761 1,763 2,765 1,769 1,772 23,773 5,774 2,775 6,776 1,784 1,785 5,802 3,818 1,822 2,830 1,831 2,832 3,837 1,840 28,845 2,846 4,848 2,850 3,861 1,862 9.8,864 2,865 1,866 2,869 14.667,870 8.626,871 6.306,872 2.983,874 2.023,875 1.282,876 0.914,877 7.371,878 9.191,879 3.664,880 4.159,881 4.6,882 5.055,883 5.508,884 5.497,885 5.768,886 6.072,887 6.347,888 6.637,889 1,890 42,891 10.395,893 4.428,894 7.944,895 19.565,897 15.983,899 2.444,900 68.444,902 1,903 1,904 247.193,905 118.1,907 39.149,908 132.511,911 118.1,912 418.853,915 12.196,916 95.122,917 133.421,918 9.872,919 11.771,920 235.422,921 39.149,922 247.193,923 118.1,924 132.511,925 39.149,927 235.422,928 122.283,929 22,930 0.36,931 12.196,932 86.592,933 58.101,935 247.193,936 132.511,937 157.248,940 247.553,941 22.978,942 94.762,944 171.66,945 247.193,946 132.511,947 157.248,949 0.568,950 0.321,951 0.172,952 0.094,953 17,954 8,955 0.132,956 7,958 1,959 3.932,960 234.234,962 18,963 134.606,968 20.714,969 9.963,970 5.512,972 132.511,973 14.48,978 2.189,980 85.367,981 536.953,982 38,987 10.625,989 3.805,991 -0.816,994 51.563,995 56.973,996 0.261,997 0.62,998 0.801,999 0.924,1000 0.965,1001 0.972,1002 4.883,1003 1.414,1004 5.74,1005 3.255,1006 4.394,1007 4.844,1008 2.863,1009 6.521,1010 4.327,1011 6.044,1012 1.414,1013 7.279,1014 3.101,1015 3.892,1016 4.443,1017 2.521,1018 7.413,1019 3.756,1020 7.314,1021 1.147,1022 8.927,1023 3.032,1024 5.943,1025 6.866,1026 4.05,1027 10.533,1028 5.817,1029 8.617,1030 1,1031 10.643,1032 2.802,1033 6.293,1034 7.289,1035 4.358,1036 12.31,1037 6.096,1038 9.953,1039 0.775,1040 12.405,1041 2.534,1042 7.799,1043 9.196,1044 5.485,1045 14.941,1046 7.606,1047 11.313,1048 0.148,1049 14.198,1050 1.664,1051 8.561,1052 10.034,1053 6.075,1054 17.061,1055 8.302,1056 12.692,1057 -0.164,1058 16.014,1059 0.336,1060 9.838,1061 11.699,1062 7.037,1063 19.521,1064 9.571,1065 3.154,1066 -0.236,1067 17.846,1068 -0.368,1069 10.796,1070 12.758,1071 7.759,1072 21.78,1073 10.473,1074 2.914,1075 10.824,1076 19.69,1077 -0.519,1078 11.98,1079 14.292,1080 8.65,1081 24.178,1082 11.636,1083 2.466,1084 9.822,1085 21.543,1086 3.87,1087 13.029,1088 15.472,1089 9.435,1090 26.495,1091 12.638,1092 2.233,1093 7.448,1094 23.402,1095 3.821,1096 14.176,1097 16.931,1098 10.298,1099 28.87,1100 13.758,1101 2.009,1102 5.729,1103 25.268,1104 2.807,1105 15.268,1106 18.18,1107 11.114,1108 31.213,1109 14.808,1110 1.695,1111 5.183,1112 27.137,1113 2.717,1114 16.403,1115 19.595,1116 11.966,1117 33.581,1118 15.911,1119 1.488,1120 4.435,1121 29.01,1122 2.352,1123 17.516,1124 20.884,1125 12.798,1126 35.937,1127 16.986,1128 9087,1129 16438,1130 19.879,1131 34.267,1132 44.347,1133 44.983,1134 45.258,1135 43.945,1136 43.715,1137 54.593,1138 10.663,1139 120.331,1140 42.055,1141 5.352,1142 5.644,1143 6.462,1144 5.194,1145 5.154,1146 6.87,1147 3.925,1148 17.911,1149 5.046,1150 14.132,1151 1.478,1152 1.499,1153 1.509,1154 1.465,1155 1.457,1156 1.82,1157 0.355,1158 4.011,1159 1.402,1160 4.005,1161 4.023,1162 4.03,1163 3.916,1164 7.474,1165 3.917,1166 3.882,1167 3.903,1168 3.884,1169 3.832,1170 6.469,1171 3.824,1172 3.764,1173 3.804,1174 3.661,1175 3.661,1176 6.351,1177 3.652,1178 3.624,1179 3.656,1180 3.532,1181 3.456,1182 4.974,1183 3.461,1184 3.37,1185 3.391,1186 3.31,1187 3.153,1188 4.746,1189 3.175,1190 3.089,1191 3.126,1192 3.263,1193 2.933,1194 4.579,1195 2.933,1196 2.987,1197 3.028,1198 2.961,1199 2.806,1200 4.37,1201 2.808,1202 2.925,1203 2.968,1204 2.86,1205 2.794,1206 4.331,1207 2.767,1208 0.145,1209 0.121,1210 0.223,1211 0.137,1212 0.105,1213 4.352,1214 0.129,1215 3.644,1216 0.078,1217 6.691,1218 0.361,1219 4.122,1220 0.102,1221 3.154,1222 3.87,1223 2.341,1224 10.824,1225 3.046,1226 1.946,1227 1.927,1228 2.063,1229 2.063,1230 1.366,1231 2.062,1232 1.88,1233 1.859,1234 1.977,1235 1.953,1236 1.146,1237 1.967,1238 1.763,1239 1.722,1240 1.948,1241 1.897,1242 1.104,1243 1.915,1244 1.583,1245 1.543,1246 1.798,1247 1.776,1248 1.013,1249 1.78,1250 1.287,1251 1.257,1252 1.512,1253 1.537,1254 0.669,1255 1.521,1256 1.048,1257 1.01,1258 1.271,1259 1.276,1260 0.465,1261 1.269,1262 0.948,1263 0.901,1264 1.218,1265 1.183,1266 0.423,1267 1.189,1268 0.883,1269 0.838,1270 1.143,1271 1.135,1272 0.273,1273 1.131,1274 4.111,1276 5.398,1278 6.887,1280 8.474,1282 10.116,1285 6.294,1289 19.063,1290 1.658,1292 12.161,1294 -1.015,1300 32.723,1301 75.535,1302 179.266,1303 231.784,1304 267.294,1305 279.294,1306 281.294,1307 66.805,1308 7.168,1309 75.99,1310 75.99,1311 18,1312 12.404,1313 3.907,1314 3.17,1315 49.415,1316 102,1317 134,1318 0.224,1319 204.517,1320 368.32,1321 490.781,1322 11324,1323 2,1324 19.933,1325 0.712,1326 0.575,1327 20.433,1328 16.087,1329 13.559,1330 0.452,1331 0.32,1332 9.139,1333 12.818,1334 8.953,1335 7.364,1336 13.847,1337 9.599,1338 11.88,1339 0.297,1340 0.178,1341 12.251,1342 7.109,1343 9.456,1344 0.185,1345 0.099,1346 9.815,1347 5.037,1348 7.736,1349 0.119,1350 0.054,1351 8.057,1352 3.479,1353 6.259,1354 0.076,1355 0.029,1356 6.478,1357 2.418,1358 0.348,1359 87.984,1360 0.224,1361 26.737,1362 0.627,1363 140,1364 449.709,1365 170.022,1366 452.018,1367 586.76,1368 420,1369 161,1370 382.56,1371 186.331,1372 393.289,1373 577.63,1374 370,1375 4} {0 CHEMBL300338,1 1.513,2 13.345,3 2.659,4 7.068,5 112.704,6 7.578,7 0.375,8 4.025,9 4.142,10 3.612,11 3.605,12 5.149,13 3.583,14 4.546,15 4.715,16 3.958,17 3.989,18 5.647,19 3.944,20 4.807,21 5.01,22 4.038,23 4.114,24 5.906,25 4.05,26 4.859,27 5.091,28 3.919,29 4.029,30 5.985,31 3.952,32 4.717,33 4.937,34 3.803,35 3.924,36 5.819,37 3.848,38 4.675,39 4.901,40 3.689,41 3.836,42 5.898,43 3.746,44 4.548,45 4.786,46 3.527,47 3.746,48 5.55,49 3.637,50 4.466,51 4.702,52 3.484,53 3.648,54 5.526,55 3.556,56 0.01,57 0.746,58 9.686,59 4.46,60 6.848,61 5.798,62 0.202,63 1.212,64 18.303,65 7.458,66 20.141,67 10.079,68 0.139,69 1.483,70 25.597,71 9.885,72 35.431,73 13.447,74 0.453,75 1.481,76 29.369,77 9.941,78 66.796,79 13.471,80 0.231,81 1.281,82 24.804,83 8.99,84 47.046,85 12.031,86 0.533,87 1.222,88 24.483,89 8.187,90 90.015,91 11.022,92 0.211,93 1.09,94 21.145,95 7.794,96 36.354,97 10.709,98 0.186,99 0.99,100 19.63,101 7.008,102 36.283,103 9.568,104 10,105 44,106 0.251,107 0.633,108 0.823,109 0.894,110 0.9,111 0.9,112 3.407,113 0.911,114 -4.03,115 -3.98,116 -3.77,118 45.1,119 1,120 3,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 12,171 2,172 10,175 1,177 2,180 11,186 9,191 2,194 7,197 2,198 11,201 1,203 2,206 6,210 8,215 1,218 8,221 2,222 3,225 2,227 2,229 8,234 3,237 1,239 2,242 7,247 6,252 2,255 5,258 1,259 7,264 2,267 5,270 1458,271 19.775,272 19.775,273 19.775,274 19.775,275 19.775,276 17.568,277 24.417,278 11.853,279 20.009,280 15.81,281 15.81,282 15.81,283 15.81,284 15.81,285 12.3,286 25.887,287 5.687,288 16.158,289 4.16,290 1.86,291 0.713,292 0.289,293 0.25,294 0.25,295 4.107,299 1,300 1,301 849,302 3.464,306 310.907,310 228.59,313 2.126,314 28.866,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 62,326 387,327 4.551,328 3.806,329 6.787,330 4.203,331 3.234,332 4.136,333 1.257,334 11.123,335 3.137,336 4.18,337 3.548,338 6.125,339 3.801,340 2.802,341 3.618,342 1.058,343 8.931,344 2.795,345 3.896,346 2.908,347 5.874,348 3.513,349 2.523,350 3.444,351 0.78,352 8.009,353 2.498,354 3.824,355 2.774,356 5.34,357 3.469,358 2.491,359 3.153,360 0.219,361 6.965,362 2.424,363 3.537,364 2.718,365 5.282,366 3.089,367 2.094,368 2.788,370 6.344,371 2.074,372 3.382,373 2.316,374 4.95,375 3.031,376 2.057,377 2.618,379 5.76,380 1.996,381 2.986,382 1.929,383 4.257,384 2.725,385 1.75,386 2.121,388 4.031,389 1.705,390 2.929,391 1.801,392 4.142,393 2.475,394 1.509,395 1.955,397 3.425,398 1.454,399 2.733,400 1.566,401 3.736,402 2.271,403 1.274,404 1.73,406 3.314,407 1.264,408 2.574,409 1.519,410 3.545,411 2.232,412 1.249,413 1.539,415 2.818,416 1.224,417 2.5,418 1.305,419 3.496,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.427,427 1.034,428 3.247,429 1.801,430 0.788,431 1.182,433 1.944,434 0.792,435 1.873,436 1,437 3.065,438 1.669,439 0.671,440 0.767,442 1.46,443 0.665,444 1.709,445 0.715,446 2.918,447 1.196,448 0.198,449 0.258,451 0.497,452 0.195,453 1.238,454 0.294,455 2.653,456 0.894,457 -0.085,458 -0.098,460 -0.194,461 -0.083,462 13.767,463 0.475,464 0.644,465 0.022,466 38.75,467 1.336,468 20,469 0.69,470 18.75,471 0.647,472 22.537,473 0.777,474 30.033,475 0.589,476 28.749,477 0.991,478 7.625,479 0.263,480 6.489,481 0.224,482 0.085,484 0.32,487 0.667,488 1.288,489 0.753,490 1.04,491 0.531,492 0.927,493 0.616,494 1.088,495 0.84,496 0.989,497 0.545,498 0.949,499 0.904,500 1.204,501 0.902,502 1.098,503 0.817,504 1.013,505 1.285,506 0.882,507 1.031,508 0.9,509 1.362,510 0.922,511 1.28,512 1.067,513 1.019,514 1.038,515 1.335,516 1.002,517 1.287,518 0.867,519 1.155,520 0.921,521 1.355,522 1.004,523 1,524 0.997,525 1.056,526 1.058,527 1.007,528 1.064,529 1.174,530 1.01,531 1.013,532 1.01,533 1.162,534 0.99,535 5,536 0.087,537 3.111,538 1.625,539 1.853,540 0.813,541 0.483,542 0.345,543 0.296,544 0.157,545 12542,546 31877,547 2.111,548 43.1,549 7,550 9,551 1,552 2,553 1,555 2,558 1.713,559 2,560 3.674,561 -0.371,562 1,563 1,567 77.144,568 1.513,569 3.812,570 4.959,571 5.383,572 5.422,573 5.422,574 3.142,575 4.487,576 4.825,577 3.871,578 1571.78,579 8.37,580 22364.6,582 1,584 1,585 289.294,586 1.314,587 4.8,588 0.156,589 0.004,590 0.071,591 0.035,592 0.048,593 0.023,594 0.016,595 0.013,596 0.012,597 0.007,598 0.385,599 0.33,600 1,601 0.506,602 150.636,603 -0.023,604 -0.159,605 0.05,606 -0.038,607 -0.023,608 0.006,609 0.152,610 0.003,611 0.04,612 -0.012,613 0.062,614 -0.006,615 -0.015,616 -0.194,617 0.04,618 -0.116,619 0.032,620 -0.042,621 -0.022,622 0.104,623 -0.007,624 0.053,625 -0.057,626 0.031,627 -0.11,628 -0.103,629 -0.019,630 -0.062,631 -0.076,632 -0.032,633 0.074,634 0.121,635 -0.127,636 0.027,637 0.08,638 -0.062,639 -0.049,640 -0.035,641 -0.064,642 -0.077,643 -0.067,644 -0.073,645 -0.093,646 -0.053,647 -0.005,648 -0.034,649 -0.042,650 -0.008,651 1.857,652 5.835,653 0.69,654 33.565,655 1,656 1.121,657 2.802,658 7.85,659 0.682,660 3.497,661 3.807,662 4.078,663 4.331,664 4.615,665 4.673,666 4.804,667 4.942,668 5.063,669 5.011,670 7.788,671 0.652,672 386.49,673 3.497,674 5.03,675 5.878,676 6.749,677 7.617,678 8.498,679 9.377,680 10.265,681 11.153,682 12.046,683 7.8,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 51,726 17,727 1,728 32,730 54,731 23,733 11,734 3,735 3,736 7,739 4,740 7,745 1,751 3,753 18,754 5,756 5,761 2,763 3,764 1,765 4,769 1,772 22,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 1,840 29,846 4,847 1,851 1,862 3.9,865 2,869 14.5,870 9.517,871 6.389,872 3.178,874 3.23,875 1.414,876 1,877 5.571,878 11.033,879 3.784,880 4.331,881 4.89,882 5.414,883 5.966,884 6.197,885 6.56,886 6.944,887 7.352,888 7.547,889 0.889,890 46,891 10.757,893 4.607,894 7.77,895 20.491,897 16.808,899 2.27,900 65.833,903 1,904 247.193,905 139.247,906 54.706,908 50.29,911 139.247,912 297.483,913 54.706,914 8.825,915 39.892,916 66.334,917 102.355,918 50.379,919 11.771,920 211.88,922 247.193,923 193.953,924 50.29,927 223.651,928 73.832,931 74.55,932 83.665,933 35.738,935 247.193,936 104.996,937 139.247,940 247.193,941 36.946,942 105.426,943 18.011,944 83.861,945 247.193,946 104.996,947 139.247,949 0.577,950 0.336,951 0.179,952 0.103,953 21,954 9,955 0.111,956 6,957 2,958 1.2,959 4.209,960 247.607,961 0.2,962 20,963 140.881,968 19.136,969 8.442,970 4.295,972 104.996,973 13.212,974 4.104,978 3.404,980 18.011,981 491.436,982 43,987 25.329,989 4.974,990 4.522,991 0.615,994 51.014,995 57.149,996 0.267,997 0.672,998 0.874,999 0.949,1000 0.956,1001 0.956,1002 5.017,1003 1.509,1004 5.849,1005 4.031,1006 4.489,1007 5.017,1008 2.023,1009 6.645,1010 4.448,1011 6.212,1012 1.274,1013 7.397,1014 3.425,1015 4.007,1016 4.691,1017 0.325,1018 7.513,1019 3.963,1020 7.507,1021 1.249,1022 9.048,1023 3.314,1024 6.061,1025 7.131,1026 2.145,1027 10.637,1028 5.978,1029 8.837,1030 1,1031 10.761,1032 2.818,1033 6.415,1034 7.616,1035 0.766,1036 12.357,1037 6.324,1038 10.199,1039 0.788,1040 12.515,1041 2.136,1042 7.923,1043 9.514,1044 2.343,1045 15.006,1046 7.794,1047 11.584,1048 0.671,1049 14.298,1050 1.944,1051 8.682,1052 10.401,1053 1.259,1054 17.094,1055 8.538,1056 12.989,1057 0.198,1058 16.102,1059 1.46,1060 9.965,1061 12.052,1062 2.593,1063 19.58,1064 9.787,1065 3.234,1066 -0.085,1067 17.922,1068 0.497,1069 10.928,1070 13.16,1071 1.765,1072 21.836,1073 10.725,1074 2.802,1075 11.123,1076 19.756,1077 -0.194,1078 12.121,1079 14.687,1080 2.884,1081 24.266,1082 11.886,1083 2.523,1084 8.931,1085 21.6,1086 4.136,1087 13.184,1088 15.921,1089 2.27,1090 26.6,1091 12.92,1092 2.491,1093 8.009,1094 23.454,1095 3.618,1096 14.347,1097 17.385,1098 3.21,1099 29.011,1100 14.05,1101 2.094,1102 6.965,1103 25.315,1104 3.444,1105 15.459,1106 18.693,1107 2.771,1108 31.382,1109 15.13,1110 2.057,1111 6.344,1112 27.182,1113 3.153,1114 16.614,1115 20.127,1116 3.563,1117 33.787,1118 16.252,1119 1.75,1120 5.76,1121 29.055,1122 2.788,1123 17.751,1124 21.477,1125 3.266,1126 36.176,1127 17.356,1128 11766,1129 18924,1130 21.671,1131 34.784,1132 48.578,1133 49.603,1134 48.525,1135 47.299,1136 47.279,1137 61.616,1138 6.628,1139 133.51,1140 46.357,1141 5.487,1142 5.806,1143 6.589,1144 5.276,1145 5.234,1146 7.136,1147 2.38,1148 18.66,1149 5.137,1150 12.078,1151 1.518,1152 1.55,1153 1.516,1154 1.478,1155 1.477,1156 1.925,1157 0.207,1158 4.172,1159 1.449,1160 4.043,1161 4.073,1162 4.01,1163 3.944,1164 7.431,1165 3.955,1166 3.901,1167 3.945,1168 3.826,1169 3.805,1170 7.425,1171 3.804,1172 3.794,1173 3.827,1174 3.738,1175 3.699,1176 4.9,1177 3.705,1178 3.625,1179 3.691,1180 3.495,1181 3.472,1182 4.863,1183 3.465,1184 3.387,1185 3.435,1186 3.299,1187 3.2,1188 4.554,1189 3.22,1190 3.23,1191 3.287,1192 3.142,1193 3.057,1194 4.217,1195 3.064,1196 3.13,1197 3.178,1198 3.009,1199 2.957,1200 4.1,1201 2.963,1202 3.024,1203 3.086,1204 2.863,1205 2.865,1206 3.895,1207 2.857,1208 0.142,1209 0.119,1210 0.212,1211 0.131,1212 0.101,1213 4.551,1214 0.129,1215 3.806,1216 0.039,1217 6.787,1218 0.348,1219 4.203,1220 0.098,1221 3.234,1222 4.136,1223 1.257,1224 11.123,1225 3.137,1226 1.978,1227 1.954,1228 2.058,1229 2.094,1230 1.324,1231 2.08,1232 1.88,1233 1.84,1234 2.036,1235 2.006,1236 1.175,1237 2.018,1238 1.77,1239 1.74,1240 1.892,1241 1.9,1242 1.01,1243 1.9,1244 1.619,1245 1.555,1246 1.832,1247 1.795,1248 0.952,1249 1.812,1250 1.321,1251 1.273,1252 1.547,1253 1.553,1254 0.688,1255 1.548,1256 1.21,1257 1.146,1258 1.501,1259 1.421,1260 0.608,1261 1.45,1262 1.079,1263 1.037,1264 1.263,1265 1.293,1266 0.325,1267 1.279,1268 1.013,1269 0.957,1270 1.232,1271 1.23,1272 0.283,1273 1.243,1274 4.174,1276 5.485,1278 7,1280 8.616,1282 10.29,1284 1.936,1290 3.368,1291 2.925,1295 1.444,1300 33.256,1301 77.144,1302 194.411,1303 252.929,1304 274.539,1305 276.539,1306 276.539,1307 52.692,1308 7.803,1309 76.36,1310 76.36,1311 24,1312 12.574,1313 4.17,1314 3.585,1315 45.141,1316 134,1317 144,1318 0.16,1319 204.789,1320 367.76,1321 491.445,1322 29536,1324 20.217,1325 0.697,1326 0.561,1327 20.217,1328 16.26,1329 14.114,1330 0.441,1331 0.304,1332 9.612,1333 13.689,1334 9.377,1335 7.811,1336 14.114,1337 9.716,1338 12.553,1339 0.285,1340 0.163,1341 12.553,1342 7.158,1343 10.656,1344 0.184,1345 0.085,1346 10.656,1347 4.926,1348 8.674,1349 0.116,1350 0.045,1351 8.674,1352 3.357,1353 7.417,1354 0.074,1355 0.024,1356 7.417,1357 2.366,1358 0.26,1359 87.74,1360 0.215,1361 28.244,1362 0.415,1363 152,1364 434.739,1365 164.394,1366 425.859,1367 583.68,1368 398,1369 178,1370 430.766,1371 191.145,1372 438.956,1373 641.46,1374 413,1375 7} {0 CHEMBL301106,1 1.316,2 8.056,3 2.419,4 5.853,5 72.287,6 6.524,7 0.55,8 3.689,9 3.828,10 3.168,11 3.243,12 4.627,13 3.191,14 4.268,15 4.474,16 3.459,17 3.66,18 5.095,19 3.566,20 4.546,21 4.813,22 3.38,23 3.781,24 5.223,25 3.621,26 4.553,27 4.831,28 3.242,29 3.732,30 5.212,31 3.546,32 4.507,33 4.802,34 3.06,35 3.617,36 5.143,37 3.406,38 4.369,39 4.688,40 2.909,41 3.409,42 4.98,43 3.201,44 4.109,45 4.412,46 2.915,47 3.224,48 4.83,49 3.073,50 3.909,51 4.181,52 2.844,53 3.094,54 4.761,55 2.968,56 0.038,57 0.558,58 8.691,59 3.436,60 6.986,61 5.053,62 0.138,63 0.919,64 16.041,65 5.874,66 11.962,67 8.775,68 0.141,69 1.078,70 21.258,71 8.122,72 14.236,73 12.098,74 0.148,75 1.055,76 21.473,77 8.112,78 15.149,79 12.133,80 0.144,81 0.972,82 20.565,83 7.651,84 15.685,85 11.522,86 0.136,87 0.823,88 18.054,89 6.355,90 14.165,91 9.763,92 0.141,93 0.67,94 13.953,95 4.675,96 12.432,97 7.233,98 0.092,99 0.576,100 11.324,101 3.688,102 12.6,103 5.796,105 26,106 0.24,107 0.568,108 0.784,109 0.872,110 0.892,111 0.892,112 2.96,113 1.024,114 -3.67,115 -3.63,116 -3.46,118 40.5,120 5,121 1,124 1,140 2,141 1,143 2,144 1,149 1,156 1,168 8,171 1,172 4,180 9,186 4,194 9,198 4,206 7,210 4,218 3,222 3,233 1,234 4,247 2,258 1,259 2,270 374,271 12.69,272 12.69,273 12.69,274 12.69,275 12.69,276 11.342,277 11.664,278 7.843,279 12.938,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.956,286 6.05,287 3.726,288 10.301,289 3.894,290 2.098,291 0.919,292 0.432,293 0.324,294 0.324,295 3.646,298 1,299 1,300 1,301 319,302 2.236,305 47.193,306 83.942,310 71.964,313 1.173,314 6.26,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37.5,326 145,327 4.306,328 3.262,329 6.505,330 4.02,331 3.03,332 3.87,334 10.195,335 3.001,336 3.92,337 2.647,338 5.355,339 3.458,340 2.542,341 3.478,343 7.001,344 2.329,345 3.302,346 2.308,347 5.199,348 3.099,349 2.124,350 2.436,352 6.242,353 2.068,354 2.944,355 1.713,356 4.175,357 2.614,358 1.618,359 2.104,361 3.82,362 1.612,363 2.734,364 1.498,365 3.647,366 2.404,367 1.445,368 1.801,370 3.079,371 1.384,372 2.59,373 1.296,374 3.571,375 2.253,376 1.27,377 1.615,379 2.813,380 1.247,381 2.273,382 1.079,383 3.358,384 2.009,385 1.057,386 1.248,388 2.35,389 1.003,390 2.118,391 0.771,392 3.082,393 1.704,394 0.738,395 0.927,397 1.663,398 0.711,399 1.95,400 0.618,401 3,402 1.553,403 0.618,404 0.873,406 1.372,407 0.577,408 1.093,409 0.055,410 2.536,411 0.933,412 -0.043,413 -0.047,415 -0.103,416 -0.042,417 0.688,418 -0.406,419 2.296,420 0.406,421 -0.566,422 -0.643,424 -1.355,425 -0.549,426 0.663,427 -0.511,428 2,429 0.357,430 -0.618,431 -0.73,433 -1.478,434 -0.6,435 0.333,436 -0.941,437 1.899,438 -0.003,439 -0.979,440 -1.27,442 -2.343,443 -0.953,444 -0.036,445 -1.198,446 1.501,447 -0.339,448 -1.298,449 -1.52,451 -2.903,452 -1.247,453 -0.118,454 -1.417,455 1.178,456 -0.608,457 -1.582,458 -1.841,460 -4.229,461 -1.474,462 8.7,463 0.483,464 0.239,465 0.013,466 21.75,467 1.208,468 10,469 0.556,470 11.75,471 0.653,472 14.101,473 0.783,474 19.5,475 0.527,476 10.956,477 0.609,478 3.812,479 0.212,480 5.121,481 0.284,484 0.218,487 0.861,488 1.462,489 0.897,490 1.187,491 0.614,492 1.069,493 1.156,494 1.101,495 1.075,496 1.067,497 0.876,498 1.064,499 0.867,500 0.986,501 1.012,502 1.038,503 0.871,504 1.038,505 0.904,506 0.998,507 1.082,508 1.088,509 1.017,510 1.099,511 0.862,512 1,513 1.063,514 1.086,515 1.029,516 1.091,517 0.878,518 0.908,519 0.9,520 0.91,521 0.882,522 0.907,523 1.013,524 0.809,525 0.837,526 0.775,527 0.898,528 0.788,529 1.257,530 1.1,531 0.953,532 0.943,533 1.101,534 0.925,535 2,536 0.005,537 1.556,538 0.785,539 0.441,540 0.205,541 0.147,542 0.109,543 0.052,544 0.027,545 3171,546 6627,547 2.189,548 51.4,549 7,550 4,551 1,552 3,554 2,555 2,558 1.582,559 2.16,560 3.019,561 -0.818,563 1,564 1,565 1,567 48.681,568 1.316,569 3.112,570 4.291,571 4.777,572 4.885,573 4.885,574 2.441,575 3.461,576 4.145,577 3.156,578 482.86,579 7.009,580 4654.1,581 1,582 1,584 1,585 192.75,586 0.764,587 4.146,588 0.1,589 0.002,590 0.06,591 0.034,592 0.023,593 0.014,594 0.011,595 0.008,596 0.004,597 0.003,598 0.26,599 0.83,600 1,602 77.106,603 0.083,604 -0.25,605 0.082,606 -0.083,607 0.28,608 -0.014,609 -0.034,610 0.027,611 -0.087,612 -0.045,613 0.044,614 -0.066,615 -0.066,616 -0.015,617 -0.055,618 -0.033,619 -0.066,620 -0.041,621 -0.099,622 -0.051,623 -0.128,624 -0.098,625 -0.157,626 -0.113,627 -0.065,628 -0.09,629 -0.11,630 -0.112,631 -0.162,632 -0.115,633 0.014,634 -0.031,635 0.065,636 0.031,637 -0.029,638 0.049,639 0.117,640 0.133,641 0.153,642 0.153,643 0.09,644 0.156,645 -0.043,646 -0.097,647 0.044,648 -0.002,649 0.118,650 0.024,651 0.619,652 1.512,653 0.833,654 11.531,655 0.983,656 1.13,657 2.436,658 5.936,659 0.652,660 3.045,661 3.296,662 3.555,663 3.784,664 3.871,665 3.807,666 3.871,667 3.932,668 3.989,669 3.829,670 5.012,671 0.602,672 241.37,673 3.045,674 4.533,675 5.361,676 6.205,677 7.047,678 7.896,679 8.743,680 9.595,681 10.445,682 11.299,683 8.1,691 1,693 2,699 6,700 2,704 2,705 1,706 11,724 37,726 11,728 20,730 39,731 15,733 8,739 3,740 4,748 3,749 1,751 5,753 8,754 7,755 1,769 1,772 19,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,832 2,840 18,846 6,850 1,869 8.333,870 6.433,871 4.056,872 2.504,874 1.866,875 1.291,876 0.983,877 3.517,878 8.269,879 3.277,880 3.778,881 4.292,882 4.774,883 4.993,884 4.937,885 5.123,886 5.303,887 5.531,888 5.517,889 1,890 23,891 6.667,893 2.761,894 7.37,895 13.419,897 11.281,899 1.87,900 33.667,901 0.005,904 223.651,905 75.434,906 35.47,911 75.434,912 223.651,913 35.47,915 14.778,916 28,917 77.503,918 25.936,919 11.771,920 176.567,922 223.651,923 110.904,927 200.109,928 23.542,931 46.148,932 31.185,933 33.571,935 223.651,936 35.47,937 75.434,940 223.651,941 20.721,942 56.612,944 33.571,945 223.651,946 35.47,947 75.434,949 0.559,950 0.329,951 0.185,952 0.086,953 13,954 4,955 0.103,956 4,957 1,958 1.133,959 3.244,960 124.798,961 0.133,962 15,963 75.059,968 11.613,969 5.451,970 2.7,972 33.571,973 12.051,974 8.589,978 2.825,979 2.16,981 334.555,982 25.5,994 36.374,995 41.817,996 0.253,997 0.597,998 0.824,999 0.917,1000 0.938,1001 0.938,1002 4.463,1003 0.738,1004 5.283,1005 2.35,1006 3.97,1007 4.46,1009 6.019,1010 3.902,1011 5.595,1012 0.618,1013 6.781,1014 1.663,1015 3.219,1016 3.861,1018 6.783,1019 3.126,1020 6.847,1021 -0.043,1022 8.388,1023 1.372,1024 5.468,1025 6.507,1027 9.901,1028 5.344,1029 8.138,1030 -0.566,1031 10.066,1032 -0.103,1033 5.673,1034 6.88,1036 11.613,1037 5.533,1038 9.47,1039 -0.618,1040 11.794,1041 -1.355,1042 7.263,1043 8.849,1045 14.197,1046 7.103,1047 10.828,1048 -0.979,1049 13.555,1050 -1.478,1051 7.933,1052 9.679,1054 16.274,1055 7.768,1056 12.207,1057 -1.298,1058 15.342,1059 -2.343,1060 9.238,1061 11.342,1063 18.689,1064 9.06,1065 3.03,1066 -1.582,1067 17.146,1068 -2.903,1069 10.133,1070 12.402,1072 20.911,1073 9.957,1074 2.542,1075 10.195,1076 18.965,1077 -4.229,1078 11.315,1079 13.916,1081 23.268,1082 11.131,1083 2.124,1084 7.001,1085 20.793,1086 3.87,1087 12.318,1088 15.096,1090 25.548,1091 12.136,1092 1.618,1093 6.242,1094 22.63,1095 3.478,1096 13.451,1097 16.533,1099 27.884,1100 13.263,1101 1.445,1102 3.82,1103 24.474,1104 2.436,1105 14.505,1106 17.78,1108 30.188,1109 14.318,1110 1.27,1111 3.079,1112 26.323,1113 2.104,1114 15.618,1115 19.176,1117 32.516,1118 15.426,1119 1.057,1120 2.813,1121 28.176,1122 1.801,1123 16.697,1124 20.461,1126 34.83,1127 16.504,1128 3010,1129 4418,1130 14.099,1131 24.108,1132 29.327,1133 28.799,1134 28.985,1135 28.859,1136 28.885,1137 36.705,1139 77.07,1140 27.863,1141 5.259,1142 5.262,1143 6.195,1144 5.059,1145 5.03,1146 6.87,1148 16.97,1149 5.001,1151 1.466,1152 1.44,1153 1.449,1154 1.443,1155 1.444,1156 1.835,1158 3.854,1159 1.393,1160 4.015,1161 4.062,1162 3.941,1163 3.922,1164 4.955,1165 3.92,1166 3.907,1167 3.97,1168 3.845,1169 3.707,1170 4.869,1171 3.734,1172 3.557,1173 3.62,1174 3.425,1175 3.429,1176 4.149,1177 3.421,1178 3.419,1179 3.493,1180 3.239,1181 3.282,1182 3.931,1183 3.263,1184 3.065,1185 3.149,1186 2.889,1187 2.899,1188 3.82,1189 2.884,1190 2.793,1191 2.88,1192 2.613,1193 2.657,1194 3.476,1195 2.637,1196 2.669,1197 2.757,1198 2.498,1199 2.467,1200 3.354,1201 2.459,1202 2.508,1203 2.613,1204 2.287,1205 2.3,1206 3.323,1207 2.286,1208 0.215,1209 0.163,1210 0.325,1211 0.201,1212 0.152,1213 4.306,1214 0.193,1215 3.262,1217 6.505,1218 0.51,1219 4.02,1220 0.15,1221 3.03,1222 3.87,1224 10.195,1225 3.001,1226 1.98,1227 1.944,1228 2.127,1229 2.091,1230 1.48,1231 2.105,1232 1.689,1233 1.624,1234 1.896,1235 1.893,1236 1.194,1237 1.896,1238 1.513,1239 1.452,1240 1.734,1241 1.681,1242 0.859,1243 1.702,1244 1.355,1245 1.289,1246 1.585,1247 1.546,1248 0.811,1249 1.569,1250 1.27,1251 1.195,1252 1.465,1253 1.517,1254 0.56,1255 1.506,1256 0.993,1257 0.909,1258 1.308,1259 1.221,1260 0.409,1261 1.26,1262 0.801,1263 0.733,1264 1.131,1265 1.001,1266 0.28,1267 1.052,1268 0.609,1269 0.511,1270 0.976,1271 0.87,1272 0.123,1273 0.908,1274 3.714,1276 4.977,1277 2.398,1278 6.444,1279 4.443,1280 8.012,1281 6.26,1282 9.635,1290 7.328,1294 0.714,1300 22.279,1301 48.681,1302 115.134,1303 158.75,1304 176.75,1305 180.75,1306 180.75,1307 19.115,1308 6.404,1309 30.71,1310 30.71,1311 17,1312 11.855,1313 3.585,1314 2.7,1315 25.877,1316 53,1317 46,1318 0.236,1319 138.221,1320 228.98,1321 329.02,1322 4787,1324 12.209,1325 0.678,1326 0.59,1327 12.209,1328 10.626,1329 8.933,1330 0.447,1331 0.341,1332 6.767,1333 8.686,1334 6.639,1335 5.502,1336 8.933,1337 6.828,1338 7.481,1339 0.288,1340 0.195,1341 7.481,1342 5.071,1343 6.385,1344 0.188,1345 0.114,1346 6.385,1347 3.86,1348 5.398,1349 0.126,1350 0.068,1351 5.398,1352 2.942,1353 3.893,1354 0.083,1355 0.043,1356 3.893,1357 2.037,1358 0.368,1359 55.162,1360 0.266,1361 18.329,1362 0.644,1363 92,1364 204.935,1365 97.245,1366 204.169,1367 286.98,1368 194,1369 106,1370 215.394,1371 111.856,1372 220.17,1373 316.73,1374 208,1375 5.638} {0 CHEMBL301130,1 1.589,2 19.8,3 6.405,4 41.025,5 190.316,6 7.471,7 0.407,8 4.62,9 4.738,10 4.17,11 4.151,12 5.724,13 4.124,14 5.18,15 5.355,16 4.539,17 4.566,18 6.304,19 4.505,20 5.519,21 5.735,22 4.671,23 4.771,24 6.541,25 4.684,26 5.616,27 5.835,28 4.688,29 4.836,30 6.623,31 4.744,32 5.69,33 5.908,34 4.749,35 4.878,36 6.802,37 4.777,38 5.771,39 6.015,40 4.701,41 4.85,42 6.896,43 4.732,44 5.685,45 5.929,46 4.526,47 4.749,48 6.734,49 4.617,50 5.552,51 5.809,52 4.45,53 4.628,54 6.562,55 4.494,56 0.094,57 1.333,58 19.44,59 8.772,60 21.238,61 11.479,62 0.524,63 2.186,64 37.621,65 14.745,66 89.938,67 20.379,68 0.908,69 2.81,70 58.944,71 20.562,72 119.845,73 28.519,74 0.827,75 3.058,76 64.013,77 22.249,78 128.06,79 30.586,80 0.949,81 3.193,82 69.011,83 24.659,84 183.596,85 33.851,86 1.45,87 3.244,88 80.61,89 26.042,90 239.513,91 36.073,92 1.287,93 2.893,94 77.886,95 24.043,96 210.272,97 32.71,98 0.875,99 2.552,100 68.03,101 21.769,102 141.245,103 30.346,104 70,105 74,106 0.233,107 0.562,108 0.764,109 0.891,110 0.916,111 0.916,112 3.934,113 0.975,114 -4.24,115 -4.18,116 -3.95,118 40.4,120 10,123 1,124 2,126 2,140 9,141 4,142 2,143 2,150 2,154 4,163 2,167 2,168 18,171 1,172 9,173 1,175 3,177 4,178 1,180 19,181 1,185 1,186 12,189 4,190 1,191 5,194 18,195 1,197 1,198 10,199 1,203 5,206 18,207 4,209 1,210 14,211 2,213 1,215 7,216 1,218 18,219 5,221 2,222 14,225 3,226 2,227 8,228 1,229 18,230 2,234 8,237 1,238 1,239 3,242 16,243 3,244 1,247 6,248 3,250 1,252 6,253 2,255 14,256 4,258 3,259 7,262 6,263 1,264 8,267 10,268 2,270 5988,271 33.57,272 33.57,273 33.57,274 33.57,275 33.57,276 30.25,277 31.456,278 20.21,279 34.035,280 26.666,281 26.666,282 26.666,283 26.666,284 26.666,285 21.562,286 29.571,287 9.623,288 27.442,289 4.965,290 2.722,291 1.341,292 0.476,293 0.306,294 0.306,295 4.633,297 1,301 2133,302 5.477,305 139.606,306 506.879,307 183.251,309 260.063,311 307.266,313 2.808,314 67.289,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 108.833,326 990,327 4.791,328 3.907,329 7.117,330 4.349,331 3.378,332 4.755,333 2.378,334 12.358,335 3.281,336 4.403,337 3.738,338 6.759,339 4.144,340 3.178,341 3.909,342 2.375,343 11.02,344 3.069,345 4.036,346 3.578,347 6.091,348 3.752,349 2.775,350 3.639,351 1.983,352 8.77,353 2.703,354 3.961,355 3.574,356 6.083,357 3.602,358 2.628,359 3.188,360 1.907,361 8.706,362 2.562,363 3.796,364 3.454,365 5.845,366 3.507,367 2.506,368 3.095,369 0.656,370 7.868,371 2.498,372 3.659,373 3.01,374 5.609,375 3.39,376 2.382,377 2.994,378 0.434,379 6.945,380 2.388,381 3.633,382 2.899,383 5.285,384 3.247,385 2.259,386 2.841,387 0.149,388 6.422,389 2.211,390 3.533,391 2.494,392 5.077,393 3.138,394 2.225,395 2.826,397 6.093,398 2.088,399 3.482,400 2.491,401 5.035,402 3.101,403 2.14,404 2.684,406 6.048,407 1.949,408 3.174,409 2.335,410 4.789,411 2.88,412 1.894,413 2.457,415 4.858,416 1.849,417 3.128,418 2.164,419 4.569,420 2.704,421 1.736,422 2.219,424 4.8,425 1.693,426 2.915,427 1.876,428 4.15,429 2.672,430 1.712,431 2.089,433 3.565,434 1.581,435 2.794,436 1.841,437 3.907,438 2.583,439 1.581,440 1.806,442 3.412,443 1.578,444 2.736,445 1.714,446 3.871,447 2.472,448 1.476,449 1.772,451 3.324,452 1.469,453 2.648,454 1.684,455 3.684,456 2.258,457 1.27,458 1.671,460 3.005,461 1.242,462 23.714,463 0.474,464 1.21,465 0.024,466 58.25,467 1.165,468 26.5,469 0.53,470 31.75,471 0.635,472 58.007,473 1.16,474 55.486,475 0.59,476 53.991,477 1.08,478 11.132,479 0.223,480 13.002,481 0.26,482 0.136,484 0.329,487 0.744,488 1.342,489 0.74,490 1.071,491 0.629,492 0.986,493 0.547,494 1.229,495 0.797,496 1.055,497 0.423,498 1.034,499 0.82,500 0.997,501 0.905,502 0.934,503 0.833,504 0.951,505 1.022,506 1.017,507 0.956,508 0.986,509 0.977,510 1.019,511 0.897,512 1.149,513 0.904,514 1.11,515 0.924,516 1.102,517 1.012,518 0.942,519 0.961,520 0.964,521 1.064,522 0.99,523 1.294,524 0.912,525 1.2,526 0.98,527 1.319,528 1.031,529 0.951,530 0.965,531 1.018,532 1.018,533 0.948,534 0.986,535 8.5,536 0.3,537 5.333,538 4.361,539 3.262,540 1.994,541 1.111,542 0.839,543 0.585,544 0.435,545 58136,546 163040,547 2.038,548 46.8,549 12,550 18,552 2,553 4,554 2,555 6,558 1.845,559 1.899,560 4.13,561 1.298,567 149.376,568 1.589,569 3.833,570 5.213,571 6.078,572 6.249,573 6.249,574 3.475,575 5.364,576 5.626,577 4.469,578 5474.92,579 9.953,580 126838,585 616.131,586 1.44,587 5.569,588 0.157,589 0.007,590 0.072,591 0.053,592 0.039,593 0.024,594 0.014,595 0.013,596 0.01,597 0.008,598 0.397,600 0.5,601 0.835,602 311.072,603 -0.065,604 -0.102,605 0.016,606 0.009,607 -0.036,608 0.026,609 0.142,610 -0.065,611 0.021,612 -0.031,613 0.156,614 -0.035,615 0.026,616 0.06,617 0.01,618 0.061,619 -0.031,620 0.041,621 -0.126,622 0.036,623 -0.078,624 -0.006,625 -0.095,626 -0.037,627 0.013,628 -0.135,629 -0.029,630 -0.116,631 0.029,632 -0.107,633 0.037,634 0.013,635 0.004,636 0.001,637 0.019,638 -0.011,639 -0.156,640 0.02,641 -0.125,642 -0.002,643 -0.155,644 -0.05,645 -0.012,646 -0.043,647 0.038,648 -0.024,649 -0.016,650 0.023,651 2.812,652 6.343,653 0.52,654 68.69,655 1.005,656 1.128,657 3.014,658 9.083,659 0.658,660 4.007,661 4.317,662 4.585,663 4.868,664 5.118,665 5.22,666 5.313,667 5.412,668 5.438,669 5.38,670 12.301,671 0.625,672 702.32,673 4.007,674 5.549,675 6.395,676 7.274,677 8.149,678 9.04,679 9.928,680 10.826,681 11.723,682 12.627,683 5.3,685 1,690 2,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 94,726 26,727 2,728 54,730 98,731 38,733 19,734 5,735 7,739 5,740 7,741 1,748 3,751 12,753 23,754 15,756 4,761 4,765 4,772 44,773 10,774 4,775 12,776 1,779 5,784 0.6,785 6,795 1,797 1,801 1,802 3,803 1,805 1,807 1,816 1,817 1,818 2,826 1,830 2,832 3,836 1,837 1,840 50,845 2,846 12,847 2,850 2,851 1,861 1,862 6.4,864 2,865 4,869 26.333,870 16.643,871 11.139,872 5.936,874 4,875 1.454,876 0.946,877 13.328,878 12.801,879 4.248,880 4.798,881 5.33,882 5.912,883 6.463,884 6.765,885 7.168,886 7.557,887 7.766,888 7.941,889 1,890 83,891 18.732,893 8.121,894 7.916,895 35.388,897 29.373,899 2.416,900 120.778,904 470.844,905 175.851,906 57.83,907 39.149,908 185.946,911 175.851,912 695.939,913 57.83,914 8.396,915 50.692,916 103.297,917 237.503,918 38.381,919 4.901,920 447.302,921 39.149,922 470.844,923 233.682,924 185.946,925 39.149,927 400.217,928 256.573,931 88.696,932 128.2,933 55.934,935 470.844,936 243.777,937 215,940 470.844,941 64.074,942 116.801,943 36.022,944 241.881,945 470.844,946 243.777,947 215,949 0.574,950 0.33,951 0.184,952 0.109,953 31,954 16,955 0.173,956 17,957 2,958 1.154,959 5.751,960 513.171,961 0.154,962 26,963 282.193,968 37.349,969 17.843,970 9.666,971 2.239,972 241.878,973 20.731,974 4.315,978 5.478,979 2.187,980 121.388,981 929.621,982 69,987 49.498,991 -2.709,994 94.469,995 105.996,996 0.242,997 0.585,998 0.795,999 0.927,1000 0.953,1001 0.953,1002 5.491,1003 2.225,1004 6.375,1005 6.422,1006 5.004,1007 5.487,1008 3.491,1009 7.194,1010 4.948,1011 6.679,1012 2.14,1013 7.938,1014 6.093,1015 4.575,1016 5.308,1017 3.26,1018 8.148,1019 4.473,1020 7.978,1021 1.894,1022 9.608,1023 6.048,1024 6.592,1025 7.636,1026 4.771,1027 11.3,1028 6.482,1029 9.315,1030 1.736,1031 11.345,1032 4.858,1033 7.013,1034 8.33,1035 5.15,1036 13.152,1037 6.861,1038 10.689,1039 1.712,1040 13.127,1041 4.8,1042 8.496,1043 10.164,1044 6.264,1045 15.84,1046 8.33,1047 12.091,1048 1.581,1049 14.941,1050 3.565,1051 9.324,1052 11.29,1053 6.893,1054 18.066,1055 9.117,1056 13.516,1057 1.476,1058 16.779,1059 3.412,1060 10.604,1061 12.938,1062 7.856,1063 20.61,1064 10.377,1065 3.378,1066 1.27,1067 18.634,1068 3.324,1069 11.627,1070 14.285,1071 8.602,1072 22.991,1073 11.363,1074 3.178,1075 12.358,1076 20.505,1077 3.005,1078 12.836,1079 15.862,1080 9.502,1081 25.493,1082 12.545,1083 2.775,1084 11.02,1085 22.388,1086 4.755,1087 13.95,1088 17.317,1089 10.305,1090 27.939,1091 13.624,1092 2.628,1093 8.77,1094 24.28,1095 3.909,1096 15.139,1097 18.871,1098 11.18,1099 30.432,1100 14.784,1101 2.506,1102 8.706,1103 26.181,1104 3.639,1105 16.296,1106 20.378,1107 12.012,1108 32.907,1109 15.907,1110 2.382,1111 7.868,1112 28.089,1113 3.188,1114 17.482,1115 21.927,1116 12.877,1117 35.4,1118 17.064,1119 2.259,1120 6.945,1121 30.003,1122 3.095,1123 18.66,1124 23.459,1125 13.724,1126 37.888,1127 18.21,1128 54763,1129 91948,1130 35.6,1131 61.841,1132 80.661,1133 82.991,1134 82.932,1135 80.118,1136 79.833,1137 100.77,1138 19.764,1139 225.906,1140 77.523,1141 5.779,1142 5.907,1143 6.919,1144 5.393,1145 5.378,1146 7.755,1147 3.993,1148 19.863,1149 5.281,1150 29.388,1151 1.494,1152 1.537,1153 1.536,1154 1.484,1155 1.478,1156 1.866,1157 0.366,1158 4.183,1159 1.436,1160 4.178,1161 4.208,1162 4.18,1163 4.1,1164 7.477,1165 4.107,1166 4.007,1167 4.043,1168 3.949,1169 3.913,1170 7.471,1171 3.915,1172 3.819,1173 3.871,1174 3.82,1175 3.722,1176 7.429,1177 3.722,1178 3.808,1179 3.848,1180 3.709,1181 3.666,1182 7.425,1183 3.666,1184 3.742,1185 3.793,1186 3.644,1187 3.599,1188 6.352,1189 3.593,1190 3.625,1191 3.681,1192 3.61,1193 3.475,1194 6.35,1195 3.475,1196 3.559,1197 3.594,1198 3.519,1199 3.38,1200 5.026,1201 3.384,1202 3.494,1203 3.537,1204 3.431,1205 3.3,1206 4.879,1207 3.321,1208 0.089,1209 0.072,1210 0.132,1211 0.081,1212 0.063,1213 4.791,1214 0.088,1215 3.907,1216 0.044,1217 7.117,1218 0.229,1219 4.349,1220 0.061,1221 3.378,1222 4.755,1223 2.378,1224 12.358,1225 3.281,1226 1.944,1227 1.926,1228 2.046,1229 2.024,1230 1.374,1231 2.027,1232 1.923,1233 1.895,1234 2.042,1235 2.016,1236 1.348,1237 2.023,1238 1.881,1239 1.846,1240 1.999,1241 2.005,1242 1.278,1243 2.01,1244 1.794,1245 1.741,1246 1.984,1247 1.986,1248 1.175,1249 1.988,1250 1.742,1251 1.69,1252 1.939,1253 1.92,1254 1.106,1255 1.926,1256 1.658,1257 1.604,1258 1.859,1259 1.848,1260 1.094,1261 1.861,1262 1.544,1263 1.493,1264 1.747,1265 1.751,1266 0.957,1267 1.746,1268 1.444,1269 1.394,1270 1.667,1271 1.682,1272 0.911,1273 1.678,1274 4.691,1276 6.004,1277 2.398,1278 7.499,1279 5.043,1280 9.088,1281 7.368,1282 10.732,1284 2.056,1285 6.365,1289 19.3,1290 5.992,1291 5.92,1294 -1.813,1295 1.218,1300 58.759,1301 149.376,1302 360.26,1303 490.034,1304 571.376,1305 587.376,1306 587.376,1307 155.661,1308 8.802,1309 153.86,1310 153.86,1311 30,1312 13.148,1313 4.755,1314 4,1315 91.357,1316 390,1317 267,1318 0.111,1319 363.611,1320 646.55,1321 878.97,1322 126028,1323 1.1,1324 35.622,1325 0.712,1326 0.58,1327 36.122,1328 28.994,1329 24.134,1330 0.447,1331 0.325,1332 17.007,1333 23.008,1334 16.642,1335 13.741,1336 24.423,1337 17.553,1338 21.564,1339 0.291,1340 0.179,1341 21.972,1342 13.228,1343 17.381,1344 0.179,1345 0.098,1346 17.644,1347 9.551,1348 14.496,1349 0.112,1350 0.055,1351 14.716,1352 7.032,1353 12.195,1354 0.073,1355 0.031,1356 12.466,1357 5.083,1358 0.185,1359 153.965,1360 0.168,1361 44.165,1362 0.275,1363 256,1364 765.046,1365 295.129,1366 763.798,1367 1007.56,1368 708,1369 299,1370 692.652,1371 331.186,1372 707.638,1373 1031.78,1374 667,1375 8.398} {0 CHEMBL301189,1 1.536,2 12.308,3 1.739,4 3.023,5 96.882,6 6.971,7 0.407,8 4.029,9 4.14,10 3.518,11 3.448,12 5.126,13 3.443,14 4.58,15 4.756,16 3.765,17 3.778,18 5.676,19 3.744,20 4.771,21 4.979,22 3.7,23 3.87,24 5.729,25 3.778,26 4.829,27 5.073,28 3.643,29 3.851,30 5.705,31 3.741,32 4.818,33 5.064,34 3.64,35 3.81,36 5.706,37 3.711,38 4.771,39 5.015,40 3.64,41 3.799,42 5.741,43 3.693,44 4.719,45 4.966,46 3.594,47 3.834,48 5.527,49 3.715,50 4.792,51 5.049,52 3.627,53 3.84,54 5.679,55 3.734,56 0.065,57 0.691,58 11.798,59 4.823,60 11.056,61 6.412,62 0.491,63 1.027,64 22.643,65 7.315,66 53.12,67 10.046,68 0.616,69 1.139,70 27.995,71 9.123,72 54.613,73 12.731,74 0.545,75 1.158,76 30.071,77 9.39,78 54.88,79 13.591,80 0.584,81 1.121,82 30.047,83 8.991,84 56.785,85 13.067,86 0.824,87 1.105,88 28.768,89 8.548,90 71.088,91 12.621,92 0.346,93 1.134,94 26.165,95 8.769,96 36.688,97 12.975,98 0.514,99 1.168,100 28.974,101 8.648,102 48.617,103 13.005,104 19,105 33,106 0.261,107 0.612,108 0.841,109 0.88,110 0.88,111 0.88,112 3.303,113 0.963,114 -2.5,115 -2.53,116 -2.47,118 36.5,120 3,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 5,175 1,177 1,180 5,181 1,185 2,186 6,191 1,194 2,195 1,197 1,198 5,203 1,209 1,210 3,211 1,221 3,222 5,225 1,234 7,242 1,247 4,248 2,255 3,258 3,259 3,262 2,267 5,270 1362,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 16.146,277 20.894,278 11.106,279 18.316,280 13.31,281 13.31,282 13.31,283 13.31,284 13.31,285 11.011,286 20.478,287 5.278,288 14.187,289 4.164,290 2.091,291 0.745,292 0.515,293 0.515,294 0.515,295 3.971,298 1,299 1,300 1,301 652,302 4.183,305 91.925,306 106.503,313 1.793,314 27.178,316 1,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 58,326 320,327 4.035,328 3.596,329 5.584,330 3.632,331 2.687,332 3.635,333 2.341,334 7.703,335 2.582,336 3.956,337 3.016,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.551,346 2.907,347 5.113,348 3.243,349 2.283,350 2.767,351 0.86,352 6.29,353 2.22,354 3.495,355 2.66,356 5.042,357 3.185,358 2.229,359 2.71,360 0.86,361 6.115,362 2.077,363 3.379,364 2.49,365 4.658,366 3.107,367 2.167,368 2.433,370 5.182,371 2.017,372 2.654,373 1.972,374 3.665,375 2.545,376 1.577,377 1.668,379 3.24,380 1.518,381 2.56,382 1.673,383 3.5,384 2.142,385 1.249,386 1.568,388 2.706,389 1.112,390 2.5,391 1.331,392 3.414,393 2,394 1.094,395 1.5,397 2.368,398 1,399 2.222,400 1.184,401 3.323,402 1.978,403 1,404 1.201,406 2.275,407 0.956,408 2.118,409 1.061,410 3,411 1.645,412 0.711,413 0.927,415 1.483,416 0.654,417 1.807,418 1,419 2.925,420 1.554,421 0.618,422 0.752,424 1.372,425 0.577,426 1.656,427 0.621,428 2.773,429 1.399,430 0.527,431 0.577,433 0.863,434 0.455,435 1.092,436 0.618,437 2.519,438 0.885,439 -0.033,440 -0.036,442 -0.068,443 -0.03,444 0.988,445 0.425,446 2.292,447 0.802,448 -0.14,449 -0.15,451 -0.325,452 -0.13,453 0.688,454 0.128,455 2,456 0.396,457 -0.535,458 -0.61,460 -1.156,461 -0.491,462 11.967,463 0.46,464 0.417,465 0.016,466 28.75,467 1.106,468 12,469 0.462,470 16.75,471 0.644,472 21.866,473 0.841,474 30.633,475 0.589,476 20.827,477 0.801,478 6.067,479 0.233,480 6.602,481 0.254,482 0.097,484 0.201,487 0.873,488 1.592,489 0.854,490 1.396,491 0.742,492 1.16,493 1.208,494 1.046,495 1.074,496 1.026,497 0.649,498 1.014,499 1.108,500 1.063,501 1.137,502 1.113,503 0.995,504 1.135,505 1.015,506 1.004,507 1.013,508 1.044,509 0.838,510 1.033,511 1.113,512 0.969,513 0.995,514 0.973,515 0.865,516 0.964,517 0.855,518 0.872,519 0.974,520 0.883,521 0.716,522 0.942,523 0.719,524 1.132,525 0.933,526 1.099,527 0.472,528 1.066,529 0.965,530 0.928,531 0.958,532 0.878,533 0.831,534 0.902,535 4.5,536 0.131,537 1.556,538 0.847,539 0.577,540 0.479,541 0.212,542 0.234,543 0.189,544 0.155,545 8496,546 25727,547 1.996,548 50,549 2,550 16,551 1,552 2,553 1,554 2,555 2,558 1.691,559 1.902,560 3.576,561 -0.294,562 1,563 1,567 79.891,568 1.536,569 3.61,570 4.955,571 5.186,572 5.186,573 5.186,574 3.028,575 4.239,576 4.667,577 3.764,578 1223.16,579 8.092,580 16872.4,582 1,584 1,585 296.423,586 1.184,587 4.648,588 0.167,589 0.005,590 0.047,591 0.029,592 0.021,593 0.018,594 0.008,595 0.009,596 0.007,597 0.006,598 0.317,599 0.33,600 0.88,601 1.729,602 131.41,603 -0.05,604 -0.297,605 0.047,606 -0.172,607 -0.039,608 -0.061,609 -0.095,610 0.075,611 -0.088,612 0.017,613 0.102,614 -0.024,615 -0.06,616 -0.054,617 -0.158,618 -0.089,619 -0.107,620 -0.14,621 -0.067,622 -0.051,623 -0.038,624 -0.064,625 -0.067,626 -0.048,627 -0.086,628 -0.037,629 -0.002,630 -0.014,631 -0.065,632 0.006,633 0.139,634 0.093,635 0.014,636 0.075,637 0.09,638 0.026,639 -0.028,640 -0.114,641 -0.008,642 -0.076,643 -0.003,644 -0.042,645 -0.108,646 0.057,647 0.009,648 0.08,649 -0.075,650 0.076,651 2.442,652 3.545,653 0.423,654 28.598,655 1.009,656 1.135,657 1.27,658 1.613,659 0.623,660 3.332,661 3.526,662 3.638,663 3.761,664 3.807,665 3.807,666 3.807,667 3.807,668 3.85,669 3.912,670 7.389,671 0.595,672 362.47,673 3.332,674 4.796,675 5.565,676 6.365,677 7.149,678 7.954,679 8.746,680 9.553,681 10.349,682 11.158,683 3.8,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 52,726 12,727 1,728 27,730 53,731 19,733 9,734 2,735 4,739 2,740 2,751 4,753 10,754 9,756 1,761 1,765 1,768 1,769 1,772 26,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 1,840 26,845 1,846 7,848 3,850 1,862 9.6,864 1,865 1,866 2,867 1,869 13.667,870 9.183,871 6.083,872 2.972,874 1.522,875 1.236,876 0.892,877 9.176,878 7.96,879 3.541,880 3.966,881 4.326,882 4.731,883 4.938,884 4.883,885 4.902,886 4.868,887 5.037,888 5.289,889 1,890 29,891 9.594,893 3.809,894 7.859,895 18.236,897 13.937,899 2.359,900 61.333,904 294.278,905 108.327,906 18.685,908 100.828,911 108.327,912 395.105,913 18.685,914 10.883,915 23.486,916 46.952,917 139.684,918 30.375,919 11.771,920 258.964,922 294.278,923 127.011,924 100.828,927 270.735,928 102.37,929 22,931 43.052,932 67.174,933 16.786,935 294.278,936 119.513,937 108.327,940 294.278,941 32.825,942 77.401,944 117.613,945 294.278,946 119.513,947 108.327,949 0.548,950 0.292,951 0.145,952 0.071,953 11,954 5,955 0.245,956 13,958 1,959 4.011,960 184.565,962 11,963 118.211,968 20.429,969 11.678,970 8.376,972 117.613,973 13.088,974 4.038,978 1.88,979 1.943,980 42.683,981 522.117,982 33.5,987 10.545,991 -0.775,994 52.443,995 59.026,996 0.27,997 0.633,998 0.869,999 0.91,1000 0.91,1001 0.91,1002 4.707,1003 1.094,1004 5.468,1005 2.706,1006 4.205,1007 4.649,1008 2.719,1009 6.089,1010 4.085,1011 5.82,1012 1,1013 6.905,1014 2.368,1015 3.434,1016 4.086,1017 2.243,1018 6.581,1019 3.286,1020 7.046,1021 0.711,1022 8.431,1023 2.275,1024 5.617,1025 6.6,1026 3.769,1027 9.56,1028 5.391,1029 8.303,1030 0.618,1031 10.009,1032 1.483,1033 5.673,1034 6.89,1035 4.112,1036 10.874,1037 5.402,1038 9.59,1039 0.527,1040 11.621,1041 1.372,1042 7.244,1043 8.818,1044 5.235,1045 13.288,1046 6.916,1047 10.895,1048 -0.033,1049 13.255,1050 0.863,1051 7.702,1052 9.512,1053 5.889,1054 14.953,1055 7.317,1056 12.215,1057 -0.14,1058 14.904,1059 -0.068,1060 8.987,1061 11.173,1062 6.856,1063 17.147,1064 8.558,1065 2.687,1066 -0.535,1067 16.564,1068 -0.325,1069 9.664,1070 12.088,1071 7.625,1072 18.983,1073 9.172,1074 2.641,1075 7.703,1076 18.231,1077 -1.156,1078 10.802,1079 13.605,1080 8.527,1081 21.081,1082 10.272,1083 2.283,1084 7.335,1085 19.904,1086 3.635,1087 11.605,1088 14.651,1089 9.342,1090 23.005,1091 11.011,1092 2.229,1093 6.29,1094 21.582,1095 3.49,1096 12.666,1097 16.084,1098 10.216,1099 25.06,1100 12.034,1101 2.167,1102 6.115,1103 23.263,1104 2.767,1105 13.541,1106 17.21,1107 11.051,1108 27.03,1109 12.847,1110 1.577,1111 5.182,1112 24.947,1113 2.71,1114 14.561,1115 18.592,1116 11.912,1117 29.067,1118 13.828,1119 1.249,1120 3.24,1121 26.634,1122 2.433,1123 15.479,1124 19.769,1125 12.755,1126 31.062,1127 14.687,1128 8560,1129 14981,1130 17.97,1131 32.421,1132 38.089,1133 38.551,1134 38.436,1135 37.543,1136 37.566,1137 46.458,1138 10.423,1139 93.865,1140 35.233,1141 4.989,1142 5.596,1143 5.358,1144 4.709,1145 4.687,1146 6.635,1147 3.925,1148 13.229,1149 4.582,1150 12.285,1151 1.411,1152 1.428,1153 1.424,1154 1.39,1155 1.391,1156 1.721,1157 0.386,1158 3.476,1159 1.305,1160 3.961,1161 4.015,1162 3.893,1163 3.853,1164 7.474,1165 3.853,1166 3.903,1167 3.936,1168 3.842,1169 3.722,1170 6.351,1171 3.749,1172 3.736,1173 3.783,1174 3.611,1175 3.571,1176 4.962,1177 3.569,1178 3.56,1179 3.594,1180 3.455,1181 3.343,1182 4.876,1183 3.361,1184 3.361,1185 3.393,1186 3.236,1187 3.107,1188 4.646,1189 3.129,1190 3.273,1191 3.327,1192 3.117,1193 3.043,1194 4.458,1195 3.052,1196 3.076,1197 3.149,1198 2.869,1199 2.822,1200 4.256,1201 2.814,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.909,1207 2.715,1208 0.149,1209 0.133,1210 0.207,1211 0.135,1212 0.1,1213 4.035,1214 0.135,1215 3.596,1216 0.087,1217 5.584,1218 0.285,1219 3.632,1220 0.096,1221 2.687,1222 3.635,1223 2.341,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.016,1229 2.008,1230 1.286,1231 2.009,1232 1.735,1233 1.687,1234 1.961,1235 1.945,1236 1.184,1237 1.946,1238 1.653,1239 1.597,1240 1.856,1241 1.86,1242 1.122,1243 1.865,1244 1.369,1245 1.319,1246 1.597,1247 1.633,1248 0.768,1249 1.616,1250 1.282,1251 1.232,1252 1.565,1253 1.568,1254 0.696,1255 1.56,1256 1.273,1257 1.217,1258 1.517,1259 1.525,1260 0.604,1261 1.516,1262 1.184,1263 1.114,1264 1.453,1265 1.478,1266 0.518,1267 1.485,1268 1.017,1269 0.938,1270 1.323,1271 1.272,1272 0.402,1273 1.289,1274 4.007,1276 5.231,1277 2.398,1278 6.613,1279 4.443,1280 8.069,1281 6.26,1282 9.568,1284 1.639,1289 8.672,1290 3.588,1292 16.834,1294 -0.118,1300 30.938,1301 79.891,1302 187.713,1303 257.668,1304 269.668,1305 269.668,1306 269.668,1307 56.899,1308 6.438,1309 82.81,1310 82.81,1311 11,1312 11.751,1313 3.7,1314 2.907,1315 54.943,1316 108,1317 122,1318 0.226,1319 194.244,1320 340.85,1321 465.714,1322 4814,1324 18.615,1325 0.716,1326 0.579,1327 18.615,1328 15.043,1329 12.669,1330 0.469,1331 0.321,1332 8.478,1333 11.921,1334 8.294,1335 6.891,1336 12.669,1337 8.669,1338 10.51,1339 0.318,1340 0.181,1341 10.51,1342 5.966,1343 7.804,1344 0.211,1345 0.104,1346 7.804,1347 3.844,1348 5.883,1349 0.14,1350 0.058,1351 5.883,1352 2.442,1353 4.045,1354 0.092,1355 0.033,1356 4.045,1357 1.468,1358 0.366,1359 81.305,1360 0.236,1361 25.963,1362 0.591,1363 120,1364 430.382,1365 137.253,1366 392.544,1367 508.32,1368 368,1369 130,1370 337.324,1371 146.317,1372 338.437,1373 479.38,1374 313,1375 6.137} {0 CHEMBL301215,1 1.444,2 13.879,3 3.949,4 15.595,5 130.909,6 7.026,7 0.333,8 4.212,9 4.339,10 3.73,11 3.78,12 5.283,13 3.74,14 4.761,15 4.947,16 4.117,17 4.186,18 5.787,19 4.126,20 5.06,21 5.267,22 4.207,23 4.369,24 6.097,25 4.282,26 5.218,27 5.48,28 4.144,29 4.356,30 6.229,31 4.239,32 5.101,33 5.34,34 4.048,35 4.275,36 6.125,37 4.167,38 5.028,39 5.26,40 4.048,41 4.218,42 6.163,43 4.113,44 5.013,45 5.256,46 3.909,47 4.169,48 6.022,49 4.059,50 4.933,51 5.184,52 3.872,53 4.112,54 5.928,55 3.993,56 0.036,57 0.906,58 13.418,59 5.853,60 9.573,61 8.017,62 0.242,63 1.487,64 24.951,65 9.883,66 26.204,67 13.977,68 0.228,69 1.918,70 34.586,71 12.892,72 43.705,73 18.305,74 0.511,75 2.037,76 43.225,77 15.184,78 76.307,79 21.789,80 0.399,81 1.801,82 38.123,83 13.661,84 73.96,85 18.969,86 0.509,87 1.734,88 35,89 12.527,90 92.891,91 17.791,92 0.479,93 1.727,94 35.06,95 11.164,96 69.985,97 16.019,98 0.243,99 1.574,100 31.762,101 11.446,102 44.629,103 16.475,104 38,105 52,106 0.23,107 0.585,108 0.76,109 0.845,110 0.85,111 0.85,112 3.532,113 0.951,114 -4.86,115 -4.76,116 -4.47,118 42.9,119 4,120 3,121 1,129 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 14,171 2,172 10,175 1,177 4,180 17,186 9,191 2,194 13,197 2,198 13,201 1,203 2,206 14,210 8,215 1,218 12,221 2,222 11,225 2,227 2,229 12,234 5,237 1,239 2,242 9,247 10,252 2,255 11,258 1,259 7,264 2,267 9,270 2010,271 21.723,272 21.723,273 21.723,274 21.723,275 21.723,276 19.593,277 30.005,278 12.589,279 21.952,280 17.75,281 17.75,282 17.75,283 17.75,284 17.75,285 14.29,286 39.858,287 5.98,288 18.111,289 4.533,290 2.31,291 1.216,292 0.683,293 0.651,294 0.651,295 4.223,300 1,301 988,302 4.472,306 366.131,310 269.024,313 2.253,314 31.691,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 70,326 458,327 4.559,328 3.809,329 6.795,330 4.228,331 3.257,332 4.148,333 1.257,334 11.162,335 3.165,336 4.298,337 3.63,338 6.747,339 4.178,340 3.205,341 3.649,342 1.058,343 11.042,344 3.12,345 4.105,346 3.159,347 6.141,348 3.797,349 2.807,350 3.445,351 0.78,352 8.987,353 2.777,354 3.899,355 3.002,356 5.911,357 3.605,358 2.6,359 3.302,360 0.219,361 8.157,362 2.605,363 3.874,364 2.905,365 5.756,366 3.504,367 2.514,368 3.102,370 7.55,371 2.489,372 3.593,373 2.711,374 5.339,375 3.27,376 2.293,377 2.826,379 6.963,380 2.228,381 3.482,382 2.56,383 5.282,384 3.066,385 2.085,386 2.689,388 6.342,389 2.033,390 2.941,391 1.939,392 4.231,393 2.533,394 1.564,395 2.107,397 3.607,398 1.514,399 2.862,400 1.632,401 4.147,402 2.336,403 1.332,404 1.807,406 3.421,407 1.328,408 2.729,409 1.538,410 3.823,411 2.254,412 1.269,413 1.729,415 3.224,416 1.248,417 2.5,418 1.311,419 3.704,420 2.199,421 1.208,422 1.5,424 2.94,425 1.194,426 2.476,427 1.251,428 3.538,429 2.057,430 1.062,431 1.437,433 2.336,434 1.055,435 2.393,436 1.115,437 3.476,438 1.956,439 1,440 1.185,442 2.136,443 0.953,444 2.205,445 1,446 3.247,447 1.791,448 0.77,449 1.156,451 1.933,452 0.779,453 1.689,454 0.645,455 3.046,456 1.11,457 0.118,458 0.161,460 0.313,461 0.116,462 15.767,463 0.478,464 1.026,465 0.031,466 40.75,467 1.235,468 20,469 0.606,470 20.75,471 0.629,472 32.962,473 0.999,474 35.233,475 0.559,476 32.159,477 0.975,478 7.502,479 0.227,480 8.23,481 0.249,482 0.169,483 0.032,484 0.311,487 0.668,488 1.317,489 0.833,490 1.104,491 0.578,492 1.003,493 0.564,494 1.11,495 0.779,496 0.971,497 0.503,498 0.909,499 0.986,500 1.23,501 1.04,502 1.152,503 0.821,504 1.103,505 1.017,506 0.873,507 0.897,508 0.898,509 1.077,510 0.884,511 1.44,512 0.965,513 1.022,514 0.953,515 1.64,516 0.95,517 0.97,518 1.098,519 0.984,520 1.059,521 1.052,522 1.034,523 1.627,524 0.908,525 1.243,526 0.917,527 1.482,528 1.006,529 0.975,530 1.063,531 0.982,532 1.057,533 0.878,534 1.02,535 8,536 0.161,537 4.222,538 2.375,539 2.333,540 1.493,541 0.811,542 0.714,543 0.453,544 0.339,545 16346,546 37865,547 2.036,548 47.6,549 11,550 7,551 1,552 2,553 1,555 8,558 1.75,559 1.877,560 3.725,561 -0.412,567 90.98,568 1.444,569 3.667,570 4.761,571 5.294,572 5.326,573 5.326,574 3.245,575 4.438,576 5.012,577 3.926,578 2073.07,579 8.765,580 31660.5,582 1,585 376.569,586 1.628,587 4.954,588 0.222,589 0.006,590 0.081,591 0.044,592 0.048,593 0.033,594 0.018,595 0.019,596 0.012,597 0.011,598 0.494,599 0.17,600 1,601 0.753,602 177.093,603 -0.005,604 -0.14,605 0.051,606 -0.032,607 -0.043,608 0.007,609 0.206,610 -0.004,611 0.151,612 0.052,613 0.114,614 0.084,615 -0.062,616 -0.162,617 -0.085,618 -0.157,619 0.002,620 -0.125,621 0.084,622 0.085,623 0.111,624 0.068,625 0.05,626 0.091,627 -0.132,628 -0.013,629 -0.01,630 0.031,631 -0.145,632 0.024,633 0.204,634 -0.107,635 0.014,636 -0.081,637 0.18,638 -0.063,639 -0.266,640 0.132,641 -0.219,642 0.011,643 -0.209,644 -0.078,645 -0.023,646 -0.077,647 0.002,648 -0.08,649 0.042,650 -0.037,651 1.869,652 6.185,653 0.606,654 39.95,655 0.993,656 1.124,657 3.626,658 13.149,659 0.664,660 3.611,661 3.97,662 4.205,663 4.454,664 4.727,665 4.844,666 4.984,667 5.159,668 5.298,669 5.308,670 8.03,671 0.625,672 442.61,673 3.611,674 5.176,675 6.023,676 6.915,677 7.782,678 8.678,679 9.556,680 10.456,681 11.34,682 12.244,683 6.3,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 63,726 17,727 1,728 36,730 66,731 27,733 11,734 3,735 3,736 7,739 4,740 7,745 4,751 3,753 18,754 9,755 2,756 5,761 2,763 3,764 1,765 4,772 30,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 4,840 33,846 3,847 1,850 1,851 1,852 1,862 3.2,865 2,869 17.583,870 12.6,871 7.083,872 3.99,874 3.162,875 1.392,876 0.959,877 6.511,878 11.221,879 3.871,880 4.431,881 4.963,882 5.487,883 6.031,884 6.315,885 6.69,886 7.084,887 7.489,888 7.742,889 1,890 54,891 12.279,893 5.263,894 7.71,895 23.556,897 19.534,899 2.21,900 72.917,903 1,904 341.362,905 163.617,906 54.706,908 50.29,911 163.617,912 391.652,913 54.706,914 35.301,915 37.786,916 66.334,917 102.355,918 50.379,919 11.771,920 306.049,922 341.362,923 218.323,924 50.29,927 247.193,928 144.459,931 98.92,932 83.665,933 35.738,935 341.362,936 104.996,937 163.617,940 341.362,941 34.84,942 131.901,943 18.011,944 83.861,945 341.362,946 104.996,947 163.617,949 0.594,950 0.335,951 0.171,952 0.095,953 25,954 12,955 0.106,956 7,957 2,958 1.2,959 4.364,960 302.369,961 0.2,962 20,963 162.465,968 22.98,969 9.35,970 5.247,972 104.996,973 13.442,974 4.149,978 3.5,980 18.011,981 609.975,982 47,987 26.184,989 5.034,990 4.609,991 0.595,994 62.549,995 70.81,996 0.242,997 0.614,998 0.797,999 0.886,1000 0.891,1001 0.891,1002 5.142,1003 1.564,1004 6.052,1005 6.342,1006 4.654,1007 5.118,1008 2.023,1009 6.899,1010 4.616,1011 6.364,1012 1.332,1013 7.643,1014 3.607,1015 4.443,1016 4.934,1017 0.325,1018 8.021,1019 4.392,1020 7.684,1021 1.269,1022 9.338,1023 3.421,1024 6.33,1025 7.237,1026 2.145,1027 11.033,1028 6.247,1029 9.034,1030 1.208,1031 11.093,1032 3.224,1033 6.889,1034 7.798,1035 0.766,1036 12.916,1037 6.79,1038 10.413,1039 1.062,1040 12.885,1041 2.94,1042 8.306,1043 9.622,1044 2.343,1045 15.509,1046 8.175,1047 11.812,1048 1,1049 14.701,1050 2.336,1051 9.195,1052 10.543,1053 1.259,1054 17.689,1055 9.042,1056 13.226,1057 0.77,1058 16.535,1059 2.136,1060 10.44,1061 12.153,1062 2.593,1063 20.152,1064 10.258,1065 3.257,1066 0.118,1067 18.381,1068 1.933,1069 11.477,1070 13.274,1071 1.765,1072 22.457,1073 11.268,1074 3.205,1075 11.162,1076 20.237,1077 0.313,1078 12.662,1079 14.778,1080 2.884,1081 24.878,1082 12.422,1083 2.807,1084 11.042,1085 22.1,1086 4.148,1087 13.766,1088 16.016,1089 2.27,1090 27.237,1091 13.497,1092 2.6,1093 8.987,1094 23.97,1095 3.649,1096 14.931,1097 17.467,1098 3.21,1099 29.645,1100 14.632,1101 2.514,1102 8.157,1103 25.845,1104 3.445,1105 16.067,1106 18.776,1107 2.771,1108 32.029,1109 15.738,1110 2.293,1111 7.55,1112 27.725,1113 3.302,1114 17.228,1115 20.202,1116 3.563,1117 34.434,1118 16.869,1119 2.085,1120 6.963,1121 29.609,1122 3.102,1123 18.38,1124 21.553,1125 3.266,1126 36.829,1127 17.99,1128 15590,1129 23922,1130 23.463,1131 41.83,1132 56.041,1133 56.907,1134 55.728,1135 54.182,1136 54.169,1137 68.487,1138 6.628,1139 160.23,1140 53.205,1141 5.495,1142 5.809,1143 6.597,1144 5.301,1145 5.257,1146 7.148,1147 2.38,1148 18.702,1149 5.165,1150 18.599,1151 1.557,1152 1.581,1153 1.548,1154 1.505,1155 1.505,1156 1.902,1157 0.184,1158 4.451,1159 1.478,1160 4.055,1161 4.086,1162 4.02,1163 3.961,1164 7.431,1165 3.969,1166 3.913,1167 3.957,1168 3.834,1169 3.815,1170 7.425,1171 3.814,1172 3.826,1173 3.865,1174 3.765,1175 3.722,1176 4.901,1177 3.728,1178 3.724,1179 3.78,1180 3.617,1181 3.599,1182 4.862,1183 3.595,1184 3.522,1185 3.576,1186 3.399,1187 3.395,1188 4.553,1189 3.386,1190 3.358,1191 3.434,1192 3.206,1193 3.196,1194 4.363,1195 3.184,1196 3.217,1197 3.258,1198 3.12,1199 3.026,1200 4.184,1201 3.042,1202 3.173,1203 3.199,1204 3.084,1205 2.992,1206 3.962,1207 3.013,1208 0.127,1209 0.106,1210 0.189,1211 0.117,1212 0.09,1213 4.559,1214 0.115,1215 3.809,1216 0.035,1217 6.795,1218 0.31,1219 4.228,1220 0.088,1221 3.257,1222 4.148,1223 1.257,1224 11.162,1225 3.165,1226 1.991,1227 1.966,1228 2.082,1229 2.102,1230 1.358,1231 2.092,1232 1.89,1233 1.849,1234 2.056,1235 2.02,1236 1.268,1237 2.033,1238 1.802,1239 1.767,1240 1.943,1241 1.941,1242 1.085,1243 1.944,1244 1.717,1245 1.665,1246 1.893,1247 1.868,1248 1.019,1249 1.883,1250 1.526,1251 1.472,1252 1.75,1253 1.686,1254 0.869,1255 1.71,1256 1.366,1257 1.292,1258 1.661,1259 1.57,1260 0.796,1261 1.605,1262 1.138,1263 1.103,1264 1.417,1265 1.381,1266 0.469,1267 1.352,1268 1.096,1269 1.066,1270 1.417,1271 1.31,1272 0.469,1273 1.308,1274 4.29,1276 5.638,1278 7.177,1280 8.803,1282 10.479,1284 8.218,1290 2.672,1291 3.114,1294 0.312,1295 1.469,1296 -0.382,1300 39.364,1301 90.98,1302 231.029,1303 299.939,1304 333.549,1305 335.549,1306 335.549,1307 72.119,1308 8.058,1309 76.36,1310 76.36,1311 24,1312 12.768,1313 4.17,1314 3.585,1315 54.618,1316 158,1317 172,1318 0.166,1319 243.158,1320 436.96,1321 585.066,1322 38802,1324 23.587,1325 0.715,1326 0.595,1327 23.587,1328 19.63,1329 15.732,1330 0.437,1331 0.317,1332 11.309,1333 15.311,1334 10.854,1335 9.126,1336 15.732,1337 11.409,1338 15.075,1339 0.29,1340 0.184,1341 15.075,1342 9.547,1343 11.946,1344 0.181,1345 0.091,1346 11.946,1347 6.003,1348 9.792,1349 0.115,1350 0.048,1351 9.792,1352 4.038,1353 7.919,1354 0.071,1355 0.024,1356 7.919,1357 2.72,1358 0.266,1359 97.373,1360 0.206,1361 31.082,1362 0.44,1363 176,1364 458.739,1365 189.06,1366 452.872,1367 623.06,1368 422,1369 206,1370 465.329,1371 219.478,1372 477.211,1373 695.7,1374 447,1375 6.301} {0 CHEMBL301280,1 1.307,2 10.273,3 4.232,4 17.912,5 86.607,6 6.152,7 0.25,8 3.946,9 4.075,10 3.343,11 3.503,12 4.862,13 3.433,14 4.572,15 4.763,16 3.68,17 3.972,18 5.463,19 3.849,20 4.939,21 5.209,22 3.585,23 4.106,24 5.604,25 3.912,26 4.94,27 5.234,28 3.559,29 4.062,30 5.578,31 3.866,32 4.898,33 5.175,34 3.552,35 4.041,36 5.594,37 3.851,38 4.896,39 5.197,40 3.385,41 3.955,42 5.577,43 3.741,44 4.739,45 5.045,46 3.151,47 3.766,48 5.408,49 3.539,50 4.538,51 4.844,52 3.001,53 3.564,54 5.215,55 3.348,56 0.053,57 0.665,58 11.976,59 5.325,60 7.664,61 7.332,62 0.208,63 1.157,64 22.229,65 9.504,66 33.623,67 13.407,68 0.222,69 1.471,70 31.339,71 12.643,72 29.277,73 18.182,74 0.23,75 1.436,76 31.146,77 12.295,78 29.033,79 17.886,80 0.217,81 1.415,82 30.123,83 11.699,84 27.599,85 17.115,86 0.257,87 1.359,88 29.994,89 11.074,90 32.265,91 16.473,92 0.218,93 1.128,94 25.479,95 9.535,96 28.319,97 14.056,98 0.184,99 0.91,100 20.837,101 7.783,102 25.347,103 11.401,104 12,105 32,106 0.226,107 0.481,108 0.674,109 0.833,110 0.894,111 0.908,112 3.146,113 1.109,114 -4.71,115 -4.63,116 -4.35,118 38.8,120 9,121 4,140 2,141 1,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 5,215 1,218 15,219 1,222 3,227 1,229 11,230 1,234 2,239 1,242 9,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 3,268 4,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 14.17,277 7.993,278 9.352,279 15.174,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.583,286 4.834,287 4.508,288 12.008,289 4.308,290 2.834,291 1.72,292 0.796,293 0.449,294 0.367,295 3.828,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 15.86,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 46.5,326 226,327 4.352,328 3.596,329 6.944,330 4.291,331 3.291,332 3.635,333 2.341,334 11.766,335 3.29,336 3.75,337 3.402,338 5.771,339 3.453,340 2.461,341 3.014,343 7.759,344 2.442,345 3.55,346 2.564,347 5.217,348 3.242,349 2.236,350 2.71,352 6.194,353 2.224,354 3.054,355 2.027,356 4.685,357 3.02,358 2.021,359 2.16,361 5.184,362 2.019,363 2.977,364 1.797,365 4.659,366 2.751,367 1.763,368 2.013,370 4.727,371 1.741,372 2.716,373 1.717,374 3.807,375 2.632,376 1.64,377 1.716,379 3.45,380 1.623,381 2.5,382 1.348,383 3.606,384 2.252,385 1.268,386 1.5,388 2.9,389 1.245,390 2.49,391 1.14,392 3.304,393 1.999,394 1,395 1.486,397 2.162,398 0.995,399 2.087,400 1,401 3.254,402 1.955,403 1,404 1.056,406 2.136,407 0.953,408 1.655,409 0.728,410 3.247,411 1.648,412 0.648,413 0.65,415 1.594,416 0.648,417 1.42,418 0.611,419 2.872,420 1.333,421 0.333,422 0.349,424 0.77,425 0.331,426 0.951,427 0.334,428 2.426,429 0.813,430 -0.185,431 -0.196,433 -0.454,434 -0.183,435 0.606,436 -0.015,437 2.259,438 0.336,439 -0.661,440 -0.708,442 -1.49,443 -0.647,444 0.5,445 -0.446,446 2.104,447 0.064,448 -0.926,449 -1.105,451 -2,452 -0.893,453 0.429,454 -0.856,455 1.863,456 -0.017,457 -1,458 -1.245,460 -2.232,461 -0.973,462 10.567,463 0.48,464 0.418,465 0.019,466 20.5,467 0.932,468 7.5,469 0.341,470 13,471 0.591,472 23.736,473 1.079,474 25.433,475 0.519,476 10.228,477 0.465,478 2.935,479 0.133,480 7.819,481 0.355,482 0.063,484 0.284,487 0.739,488 1.241,489 0.99,490 1.177,491 0.649,492 1.121,493 0.419,494 1.239,495 1.062,496 1.246,497 0.321,498 1.224,499 0.675,500 1.081,501 1.038,502 1.104,503 0.656,504 1.112,505 0.597,506 0.913,507 0.878,508 0.925,509 0.569,510 0.931,511 0.666,512 1.1,513 1,514 1.074,515 0.632,516 1.073,517 0.754,518 0.956,519 0.999,520 0.968,521 0.667,522 0.997,523 0.758,524 0.943,525 0.983,526 0.973,527 0.718,528 0.995,529 0.824,530 0.905,531 0.933,532 0.924,533 0.835,534 0.938,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 11884,547 2.097,548 55.1,549 20,550 2,552 2,553 1,554 2,558 1.642,559 2,560 3.291,561 -0.399,563 1,567 64.028,568 1.307,569 2.781,570 3.895,571 4.818,572 5.166,573 5.247,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 275.121,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.5,600 1,601 1.936,602 102.821,603 -0.033,604 0.023,605 0.035,606 0.06,607 0.016,608 0.054,609 0.164,610 -0.081,611 -0.083,612 -0.103,613 0.222,614 -0.116,615 -0.038,616 -0.087,617 -0.097,618 -0.083,619 -0.021,620 -0.096,621 0.003,622 0.047,623 0.052,624 0.061,625 -0.005,626 0.062,627 -0.02,628 -0.103,629 -0.056,630 -0.074,631 -0.034,632 -0.071,633 -0.049,634 0.011,635 -0.056,636 -0.02,637 -0.043,638 -0.034,639 -0.036,640 -0.008,641 -0.047,642 -0.029,643 -0.039,644 -0.037,645 -0.026,646 0.015,647 0.009,648 0.018,649 -0.053,650 0.018,651 2.329,652 3.522,653 0.591,654 20.405,655 0.985,656 1.129,657 3.485,658 12.144,659 0.629,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.578,672 301.47,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2,693 1,699 4,700 1,704 1,706 6,724 49,726 7,728 24,730 51,731 19,733 5,739 3,740 4,748 3,749 4,751 9,753 6,754 13,755 4,756 1,761 1,765 1,769 1,772 27,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,830 1,832 2,840 22,845 1,846 9,850 4,862 4.1,864 1,865 1,869 11,870 8.233,871 4.944,872 3.489,874 1.059,875 1.156,876 0.915,877 5.254,878 7.858,879 3.367,880 3.773,881 4.139,882 4.586,883 4.964,884 4.948,885 5.213,886 5.422,887 5.499,888 5.518,889 0.857,890 27,891 8.209,893 3.486,894 7.598,895 16.554,897 14.61,899 2.098,900 46.167,901 0.001,903 1,904 306.049,905 63.954,906 16.786,908 67.828,911 63.954,912 373.877,913 16.786,915 22.811,916 18.952,917 109.066,918 21.28,920 282.506,922 306.049,923 80.739,924 67.828,927 306.049,928 67.828,931 40.906,932 23.048,933 16.786,935 306.049,936 84.614,937 63.954,940 306.049,941 26.906,942 37.047,944 84.614,945 306.049,946 84.614,947 63.954,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.157,956 8,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.679,969 7.372,970 3.776,972 84.614,973 8.28,974 4.329,978 1.45,980 42.683,981 454.616,982 28,987 10.522,991 -0.662,994 48.243,995 55.315,996 0.233,997 0.495,998 0.694,999 0.858,1000 0.92,1001 0.935,1002 4.6,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.454,1008 2.258,1009 6.315,1010 4.161,1011 5.708,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.955,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.298,1026 3.628,1027 10.414,1028 5.703,1029 8.233,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.553,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.463,1044 5.201,1045 15,1046 7.606,1047 10.9,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.139,1053 5.889,1054 17.262,1055 8.44,1056 12.27,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.799,1062 6.849,1063 19.8,1064 9.744,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.684,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.225,1080 8.526,1081 24.682,1082 12.01,1083 2.236,1084 7.759,1085 21.501,1086 3.635,1087 13.148,1088 14.24,1089 9.342,1090 27.121,1091 13.14,1092 2.021,1093 6.194,1094 23.403,1095 3.014,1096 14.347,1097 15.705,1098 10.216,1099 29.594,1100 14.338,1101 1.763,1102 5.184,1103 25.312,1104 2.71,1105 15.512,1106 16.805,1107 11.051,1108 32.05,1109 15.504,1110 1.64,1111 4.727,1112 27.228,1113 2.16,1114 16.704,1115 18.217,1116 11.912,1117 34.518,1118 16.695,1119 1.268,1120 3.45,1121 29.147,1122 2.013,1123 17.883,1124 19.376,1125 12.755,1126 36.98,1127 17.875,1128 5201,1129 7848,1130 16.296,1131 30.813,1132 35.434,1133 35.908,1134 36.065,1135 35.336,1136 35.322,1137 40.578,1138 4.682,1139 97.285,1140 35.022,1141 5.352,1142 5.596,1143 6.768,1144 5.327,1145 5.291,1146 6.635,1147 3.925,1148 18.961,1149 5.29,1150 8.903,1151 1.476,1152 1.496,1153 1.503,1154 1.472,1155 1.472,1156 1.691,1157 0.195,1158 4.054,1159 1.459,1160 4.078,1161 4.118,1162 3.985,1163 4.004,1164 7.474,1165 3.994,1166 3.785,1167 3.834,1168 3.699,1169 3.678,1170 6.351,1171 3.677,1172 3.753,1173 3.807,1174 3.615,1175 3.622,1176 4.897,1177 3.608,1178 3.528,1179 3.576,1180 3.389,1181 3.357,1182 4.378,1183 3.352,1184 3.236,1185 3.289,1186 3.071,1187 3.04,1188 4.11,1189 3.038,1190 3.036,1191 3.103,1192 2.875,1193 2.887,1194 3.821,1195 2.876,1196 2.883,1197 2.959,1198 2.675,1199 2.69,1200 3.785,1201 2.675,1202 2.804,1203 2.9,1204 2.619,1205 2.606,1206 3.643,1207 2.587,1208 0.181,1209 0.15,1210 0.289,1211 0.179,1212 0.137,1213 4.352,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.291,1220 0.137,1221 3.291,1222 3.635,1223 2.341,1224 11.766,1225 3.29,1226 1.929,1227 1.893,1228 2.088,1229 2.037,1230 1.512,1231 2.054,1232 1.779,1233 1.727,1234 1.991,1235 1.932,1236 1.341,1237 1.955,1238 1.673,1239 1.622,1240 1.877,1241 1.829,1242 1.231,1243 1.848,1244 1.539,1245 1.483,1246 1.78,1247 1.704,1248 1.065,1249 1.731,1250 1.455,1251 1.398,1252 1.722,1253 1.648,1254 0.96,1255 1.673,1256 1.2,1257 1.14,1258 1.492,1259 1.438,1260 0.76,1261 1.453,1262 0.985,1263 0.926,1264 1.285,1265 1.23,1266 0.525,1267 1.248,1268 0.774,1269 0.703,1270 1.098,1271 1.033,1272 0.258,1273 1.06,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.669,1290 10.21,1294 3.37,1300 28.299,1301 64.028,1302 136.258,1303 190.856,1304 236.101,1305 253.121,1306 257.121,1307 38.672,1308 6.799,1309 50.19,1310 50.19,1311 16,1312 12.332,1313 3,1314 2.322,1315 34.671,1316 76,1317 90,1318 0.216,1319 173.922,1320 307.3,1321 416.13,1322 7413,1324 15.364,1325 0.698,1326 0.604,1327 15.364,1328 13.285,1329 10.754,1330 0.448,1331 0.37,1332 8.825,1333 10.53,1334 8.664,1335 7.161,1336 10.754,1337 8.872,1338 9.358,1339 0.292,1340 0.224,1341 9.358,1342 7.156,1343 7.421,1344 0.177,1345 0.139,1346 7.421,1347 5.836,1348 6.423,1349 0.111,1350 0.085,1351 6.423,1352 4.928,1353 4.951,1354 0.072,1355 0.051,1356 4.951,1357 3.543,1358 0.342,1359 66.179,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 249.53,1365 117.816,1366 242.715,1367 323.01,1368 226,1369 130,1370 225.779,1371 134.157,1372 229.513,1373 330.35,1374 217,1375 8.155} {0 CHEMBL301520,1 1.235,2 13.212,3 7.307,4 53.392,5 135.298,6 6.19,7 0.333,8 4.318,9 4.447,10 3.721,11 3.908,12 5.246,13 3.832,14 4.92,15 5.108,16 4.054,17 4.36,18 5.796,19 4.237,20 5.287,21 5.542,22 4.072,23 4.54,24 5.971,25 4.365,26 5.366,27 5.632,28 4.102,29 4.592,30 6.03,31 4.407,32 5.451,33 5.728,34 4.124,35 4.635,36 6.144,37 4.442,38 5.467,39 5.761,40 4.034,41 4.602,42 6.126,43 4.391,44 5.389,45 5.684,46 3.924,47 4.52,48 6.011,49 4.301,50 5.328,51 5.626,52 3.897,53 4.453,54 5.956,55 4.244,56 0.077,57 0.945,58 17.231,59 7.813,60 11.834,61 10.755,62 0.251,63 1.643,64 31.283,65 13.784,66 40.657,67 19.325,68 0.263,69 2.195,70 44.392,71 18.975,72 36.909,73 26.852,74 0.274,75 2.365,76 47.888,77 20.376,78 35.673,79 29.016,80 0.32,81 2.568,82 52.238,83 21.527,84 47.567,85 31.012,86 0.332,87 2.577,88 52.812,89 21.447,90 50.105,91 31.198,92 0.289,93 2.361,94 48.668,95 20.192,96 39.048,97 29.168,98 0.293,99 2.195,100 45.839,101 18.92,102 39.911,103 27.21,104 12,105 48,106 0.194,107 0.469,108 0.68,109 0.864,110 0.898,111 0.898,112 3.532,113 1.084,114 -6.68,115 -6.5,116 -6.03,118 41.7,120 12,121 3,122 1,133 2,140 7,141 2,143 2,154 1,163 1,167 1,168 29,169 1,172 3,175 1,177 1,180 38,181 1,186 3,191 1,194 37,195 1,198 4,203 1,206 36,207 1,210 6,215 1,218 34,219 1,222 4,227 1,229 30,230 1,234 3,239 1,242 28,243 1,247 3,252 1,255 28,256 2,259 4,264 2,267 27,268 5,270 2571,271 22.835,272 22.835,273 22.835,274 22.835,275 22.835,276 20.904,277 16.126,278 14.187,279 22.905,280 17.829,281 17.829,282 17.829,283 17.829,284 17.829,285 15.129,286 12.187,287 6.761,288 17.928,289 4.935,290 3.178,291 1.832,292 0.66,293 0.444,294 0.444,295 4.23,300 1,301 927,302 4.416,305 181.864,306 356.188,313 2.378,314 20.43,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 68.5,326 436,327 4.813,328 3.914,329 8.271,330 4.771,331 3.771,332 3.988,333 2.341,334 16.389,335 3.77,336 3.896,337 3.596,338 6.064,339 3.538,340 2.541,341 3.444,343 8.359,344 2.533,345 3.753,346 2.718,347 5.563,348 3.521,349 2.521,350 3.099,352 6.965,353 2.521,354 3.552,355 2.624,356 5.34,357 3.242,358 2.236,359 2.713,361 6.445,362 2.224,363 3.28,364 2.207,365 5.068,366 3.037,367 2.045,368 2.387,370 5.449,371 2.03,372 3.194,373 2.013,374 4.659,375 2.965,376 1.975,377 2.257,379 5.184,380 1.953,381 2.957,382 1.903,383 4.136,384 2.706,385 1.707,386 2.118,388 3.617,389 1.705,390 2.878,391 1.723,392 3.803,393 2.662,394 1.662,395 1.878,397 3.452,398 1.658,399 2.707,400 1.502,401 3.713,402 2.437,403 1.439,404 1.754,406 3.049,407 1.436,408 2.563,409 1.454,410 3.661,411 2.256,412 1.275,413 1.569,415 2.923,416 1.248,417 2.5,418 1.242,419 3.44,420 2.092,421 1.095,422 1.5,424 2.444,425 1.089,426 2.5,427 1,428 3.287,429 2,430 1,431 1.5,433 2.136,434 1,435 2.273,436 1,437 3.247,438 1.956,439 1,440 1.211,442 2.136,443 0.953,444 1.943,445 1,446 3.247,447 1.841,448 0.841,449 0.901,451 1.867,452 0.84,453 1.668,454 0.815,455 3.239,456 1.65,457 0.65,458 0.657,460 1.589,461 0.65,462 16.067,463 0.487,464 0.56,465 0.017,466 33.5,467 1.015,468 14.5,469 0.439,470 19,471 0.576,472 39.702,473 1.203,474 36.733,475 0.51,476 21.393,477 0.648,478 5.445,479 0.165,480 10.753,481 0.326,482 0.041,483 0.031,484 0.187,487 0.75,488 1.156,489 0.994,490 1.112,491 0.673,492 1.078,493 0.463,494 1.187,495 1.075,496 1.192,497 0.382,498 1.18,499 0.707,500 1.044,501 1.026,502 1.06,503 0.699,504 1.068,505 0.606,506 1.048,507 0.995,508 1.052,509 0.585,510 1.054,511 0.65,512 1.062,513 1.007,514 1.044,515 0.574,516 1.05,517 0.585,518 0.985,519 0.98,520 0.99,521 0.46,522 1.006,523 0.528,524 1.005,525 0.98,526 1.022,527 0.461,528 1.031,529 0.633,530 0.922,531 0.914,532 0.933,533 0.607,534 0.943,535 5,536 0.212,537 3.333,538 2.132,539 1.313,540 0.82,541 0.492,542 0.267,543 0.318,544 0.285,545 15898,546 33564,547 2.108,548 54.2,549 25,550 9,552 2,553 1,554 2,558 1.756,559 2.031,560 3.597,561 -0.502,567 88.897,568 1.235,569 2.992,570 4.338,571 5.51,572 5.725,573 5.725,574 3.157,575 4.597,576 5.001,577 3.861,578 2038.55,579 8.792,580 31467.6,585 444.235,586 1.179,587 4.996,588 0.139,589 0.005,590 0.069,591 0.045,592 0.027,593 0.017,594 0.011,595 0.007,596 0.008,597 0.007,598 0.336,599 0.5,600 0.75,601 1.468,602 176.548,603 -0.022,604 0.034,605 0.038,606 0.057,607 0.017,608 0.052,609 0.155,610 -0.072,611 -0.078,612 -0.089,613 0.197,614 -0.099,615 -0.042,616 -0.035,617 -0.06,618 -0.034,619 -0.033,620 -0.047,621 -0.015,622 -0.049,623 -0.038,624 -0.037,625 -0.024,626 -0.04,627 -0.02,628 -0.062,629 -0.047,630 -0.05,631 -0.009,632 -0.052,633 -0.017,634 0.004,635 -0.031,636 -0.019,637 0.007,638 -0.023,639 -0.002,640 -0.032,641 -0.038,642 -0.044,643 -0.004,644 -0.043,646 0.038,647 0.034,648 0.041,649 -0.018,650 0.04,651 2.362,652 3.767,653 0.576,654 45.223,655 0.98,656 1.122,657 5.454,658 29.747,659 0.644,660 3.611,661 3.892,662 4.19,663 4.5,664 4.7,665 4.762,666 4.852,667 4.905,668 4.942,669 4.977,670 7.83,671 0.59,672 445.7,673 3.611,674 5.13,675 5.979,676 6.862,677 7.751,678 8.66,679 9.573,680 10.499,681 11.429,682 12.367,683 1.4,693 1,699 9,700 1,704 2,706 12,724 72,726 14,727 1,728 36,730 75,731 30,733 11,734 1,735 5,739 4,740 5,746 1,747 1,748 3,749 3,751 12,753 14,754 16,755 3,756 2,761 1,763 2,765 1,772 39,773 3,774 1,775 3,779 1,784 0.75,785 2,795 1,801 2,802 3,818 1,822 2,830 1,832 3,840 33,845 1,846 12,850 3,852 1,862 2.8,864 1,865 1,869 16.25,870 12.233,871 7.486,872 4.968,874 1.567,875 1.207,876 0.932,877 8.509,878 9.149,879 3.807,880 4.248,881 4.677,882 5.137,883 5.551,884 5.525,885 5.775,886 5.953,887 6.087,888 6.232,889 1,890 47,891 12.298,893 5.179,894 7.508,895 24.756,897 21.461,899 2.008,900 66.25,904 447.302,905 141.076,906 16.786,908 67.828,911 141.076,912 515.13,913 16.786,915 30.414,916 85.286,917 109.066,918 24.466,920 423.76,922 447.302,923 157.862,924 67.828,927 447.302,928 67.828,931 48.509,932 73.615,933 35.738,935 447.302,936 84.614,937 141.076,940 447.302,941 37.695,942 103.381,944 84.614,945 447.302,946 84.614,947 141.076,949 0.559,950 0.32,951 0.184,952 0.1,953 21,954 8,955 0.173,956 13,957 2,958 1.158,959 4.509,960 296.431,961 0.211,962 18,963 162.465,968 23.896,969 11.751,970 5.82,972 84.614,973 19.368,974 4.54,978 2.912,980 42.683,981 672.992,982 44,987 10.767,989 4.58,991 -0.695,994 70.545,995 80.806,996 0.2,997 0.485,998 0.703,999 0.893,1000 0.928,1001 0.928,1002 5.037,1003 1.662,1004 5.948,1005 3.617,1006 4.575,1007 4.934,1008 2.258,1009 6.823,1010 4.566,1011 6.177,1012 1.439,1013 7.538,1014 3.452,1015 4.111,1016 4.407,1017 2.243,1018 8.269,1019 4.107,1020 7.455,1021 1.275,1022 9.279,1023 3.049,1024 6.217,1025 6.881,1026 3.628,1027 11.489,1028 6.206,1029 8.778,1030 1.095,1031 11.131,1032 2.923,1033 6.792,1034 7.237,1035 4.112,1036 13.963,1037 6.789,1038 10.154,1039 1,1040 13.064,1041 2.444,1042 8.339,1043 9.165,1044 5.201,1045 16.846,1046 8.331,1047 11.568,1048 1,1049 15.054,1050 2.136,1051 9.388,1052 9.958,1053 5.889,1054 19.572,1055 9.385,1056 13.016,1057 0.841,1058 17.083,1059 2.136,1060 10.764,1061 11.638,1062 6.849,1063 22.388,1064 10.758,1065 3.771,1066 0.65,1067 19.139,1068 1.867,1069 11.997,1070 12.67,1071 7.625,1072 25.168,1073 11.993,1074 2.541,1075 16.389,1076 21.213,1077 1.589,1078 13.33,1079 14.219,1080 8.526,1081 27.969,1082 13.326,1083 2.521,1084 8.359,1085 23.299,1086 3.988,1087 14.625,1088 15.389,1089 9.342,1090 30.762,1091 14.622,1092 2.236,1093 6.965,1094 25.394,1095 3.444,1096 15.951,1097 16.864,1098 10.216,1099 33.56,1100 15.947,1101 2.045,1102 6.445,1103 27.494,1104 3.099,1105 17.267,1106 18.116,1107 11.051,1108 36.355,1109 17.263,1110 1.975,1111 5.449,1112 29.598,1113 2.713,1114 18.592,1115 19.549,1116 11.912,1117 39.152,1118 18.588,1119 1.707,1120 5.184,1121 31.705,1122 2.387,1123 19.915,1124 20.852,1125 12.755,1126 41.949,1127 19.911,1128 15311,1129 22322,1130 24.614,1131 46.381,1132 53.013,1133 53.383,1134 54.377,1135 52.551,1136 52.529,1137 63.046,1138 4.682,1139 146.352,1140 52.229,1141 5.813,1142 5.914,1143 8.094,1144 5.807,1145 5.771,1146 6.988,1147 3.925,1148 24.712,1149 5.77,1150 11.733,1151 1.473,1152 1.483,1153 1.51,1154 1.46,1155 1.459,1156 1.751,1157 0.13,1158 4.065,1159 1.451,1160 4.109,1161 4.146,1162 4.025,1163 4.042,1164 7.474,1165 4.033,1166 3.921,1167 3.956,1168 3.84,1169 3.863,1170 6.351,1171 3.854,1172 3.785,1173 3.832,1174 3.701,1175 3.681,1176 4.9,1177 3.679,1178 3.747,1179 3.796,1180 3.623,1181 3.628,1182 4.752,1183 3.616,1184 3.638,1185 3.702,1186 3.473,1187 3.521,1188 4.46,1189 3.501,1190 3.513,1191 3.552,1192 3.403,1193 3.353,1194 4.295,1195 3.353,1196 3.307,1197 3.378,1198 3.137,1199 3.177,1200 4.082,1201 3.158,1202 3.182,1203 3.235,1204 3.013,1205 2.983,1206 3.837,1207 2.981,1208 0.134,1209 0.109,1210 0.23,1211 0.133,1212 0.105,1213 4.813,1214 0.111,1215 3.914,1216 0.065,1217 8.271,1218 0.455,1219 4.771,1220 0.105,1221 3.771,1222 3.988,1223 2.341,1224 16.389,1225 3.77,1226 1.969,1227 1.936,1228 2.115,1229 2.065,1230 1.542,1231 2.083,1232 1.922,1233 1.892,1234 2.062,1235 2.008,1236 1.346,1237 2.028,1238 1.774,1239 1.727,1240 1.975,1241 1.915,1242 1.263,1243 1.936,1244 1.689,1245 1.637,1246 1.893,1247 1.839,1248 1.229,1249 1.858,1250 1.644,1251 1.587,1252 1.872,1253 1.801,1254 1.105,1255 1.831,1256 1.534,1257 1.478,1258 1.773,1259 1.69,1260 1.005,1261 1.721,1262 1.438,1263 1.388,1264 1.688,1265 1.625,1266 0.898,1267 1.644,1268 1.309,1269 1.241,1270 1.602,1271 1.498,1272 0.835,1273 1.537,1274 4.29,1276 5.58,1277 3.045,1278 7.086,1279 5.476,1280 8.716,1281 7.67,1282 10.427,1289 8.864,1290 13.363,1294 2.291,1296 0.259,1300 42.46,1301 88.897,1302 215.393,1303 312.318,1304 396.725,1305 412.235,1306 412.235,1307 65.803,1308 7.582,1309 50.19,1310 50.19,1311 22,1312 12.867,1313 3.907,1314 3.17,1315 54.19,1316 139,1317 186,1318 0.173,1319 260.335,1320 463.78,1321 626.977,1322 19938,1324 22.935,1325 0.695,1326 0.602,1327 22.935,1328 19.871,1329 16.198,1330 0.45,1331 0.361,1332 12.965,1333 15.975,1334 12.685,1335 10.507,1336 16.198,1337 13.011,1338 13.813,1339 0.288,1340 0.212,1341 13.813,1342 10.198,1343 11.351,1344 0.175,1345 0.128,1346 11.351,1347 8.348,1348 9.773,1349 0.11,1350 0.077,1351 9.773,1352 6.897,1353 7.753,1354 0.071,1355 0.046,1356 7.753,1357 5.055,1358 0.273,1359 98.845,1360 0.202,1361 31.057,1362 0.47,1363 168,1364 347.53,1365 173.816,1366 345.694,1367 470.64,1368 324,1369 197,1370 336.779,1371 201.157,1372 346.081,1373 499.97,1374 328,1375 6.102} {0 CHEMBL301550,1 1.552,2 9.6,3 5.117,4 26.184,5 99.414,6 7.758,7 0.593,8 3.908,9 4.019,10 3.504,11 3.498,12 5.013,13 3.458,14 4.437,15 4.608,16 3.864,17 3.897,18 5.554,19 3.827,20 4.696,21 4.902,22 3.907,23 4.046,24 5.653,25 3.941,26 4.755,27 4.971,28 3.896,29 4.084,30 5.666,31 3.967,32 4.799,33 5.012,34 3.934,35 4.117,36 5.724,37 3.986,38 4.892,39 5.145,40 3.849,41 4.111,42 5.778,43 3.949,44 4.791,45 5.041,46 3.716,47 3.983,48 5.709,49 3.806,50 4.598,51 4.861,52 3.585,53 3.757,54 5.519,55 3.586,56 0.02,57 0.619,58 8.969,59 4.314,60 8.341,61 5.58,62 0.183,63 1.017,64 17.506,65 7.258,66 37.496,67 9.784,68 0.213,69 1.234,70 26.448,71 9.913,72 39.255,73 13.231,74 0.247,75 1.335,76 26.95,77 10.296,78 33.958,79 13.939,80 0.208,81 1.376,82 27.677,83 10.976,84 35.279,85 14.95,86 0.294,87 1.448,88 34.468,89 12.192,90 50.487,91 16.761,92 0.305,93 1.26,94 34.644,95 11.217,96 50.836,97 15.156,98 0.253,99 1.014,100 29.559,101 9.253,102 36.227,103 12.709,104 23,105 37,106 0.266,107 0.619,108 0.783,109 0.877,110 0.892,111 0.892,112 3.267,113 0.983,114 -4.57,115 -4.49,116 -4.23,118 43.5,120 5,123 1,140 5,141 3,142 1,143 2,150 2,154 1,163 1,167 1,168 10,169 1,172 7,175 1,177 1,180 12,181 1,186 6,191 1,194 13,195 1,197 1,198 4,203 1,206 13,207 1,210 5,215 1,218 13,219 1,222 5,227 1,229 12,230 1,234 4,239 1,242 9,243 1,247 3,248 1,252 1,255 6,256 2,258 1,259 3,262 1,264 2,267 3,268 2,270 1049,271 16.811,272 16.811,273 16.811,274 16.811,275 16.811,276 14.661,277 11.544,278 10.198,279 17.111,280 13.349,281 13.349,282 13.349,283 13.349,284 13.349,285 10.14,286 8.422,287 4.884,288 13.872,289 3.971,290 1.916,291 0.954,292 0.408,293 0.321,294 0.321,295 3.948,297 1,299 1,300 1,301 506,302 3.391,305 53.582,306 135.575,309 102.374,313 1.328,314 20.384,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 53.333,326 240,327 4.791,328 3.596,329 7.117,330 4.349,331 3.378,332 4.755,333 2.341,334 12.358,335 3.281,336 4.036,337 3.454,338 6.091,339 3.602,340 2.628,341 3.639,343 8.706,344 2.562,345 3.633,346 2.899,347 5.609,348 3.244,349 2.241,350 3.095,352 6.945,353 2.226,354 3.551,355 2.494,356 5.077,357 3.135,358 2.223,359 2.84,361 6.049,362 2.082,363 3.481,364 2.335,365 4.789,366 3.098,367 2.133,368 2.71,370 5.183,371 1.949,372 3.174,373 1.841,374 4.659,375 2.672,376 1.735,377 2.457,379 4.858,380 1.58,381 2.735,382 1.691,383 3.89,384 2.581,385 1.584,386 1.798,388 3.367,389 1.574,390 2.638,391 1.344,392 3.655,393 2.203,394 1.24,395 1.662,397 2.854,398 1.184,399 2.5,400 1.184,401 3.561,402 2.034,403 1.045,404 1.5,406 2.546,407 1.025,408 2.397,409 1,410 3.247,411 1.956,412 1,413 1.36,415 2.136,416 0.953,417 1.869,418 0.926,419 3.148,420 1.684,421 0.692,422 0.785,424 1.535,425 0.68,426 1.251,427 0.55,428 2.764,429 1.032,430 0.055,431 0.062,433 0.134,434 0.052,435 1.042,436 0.341,437 2.524,438 0.657,439 -0.25,440 -0.306,442 -0.581,443 -0.181,444 0.868,445 0.186,446 2.36,447 0.536,448 -0.391,449 -0.451,451 -0.928,452 -0.362,453 0.641,454 -0.189,455 2.161,456 0.166,457 -0.811,458 -1.024,460 -1.987,461 -0.755,462 12.181,463 0.487,464 0.597,465 0.024,466 31,467 1.24,468 15.5,469 0.62,470 15.5,471 0.62,472 21.982,473 0.879,474 26.819,475 0.583,476 21.599,477 0.864,478 5.915,479 0.237,480 6.16,481 0.246,482 0.154,484 0.32,487 0.724,488 1.247,489 0.662,490 0.973,491 0.671,492 0.929,493 0.572,494 1.084,495 0.707,496 0.904,497 0.376,498 0.917,499 0.876,500 1.023,501 0.916,502 0.94,503 0.849,504 0.952,505 0.789,506 0.975,507 0.873,508 0.947,509 0.698,510 1.008,511 0.665,512 1.179,513 0.844,514 1.099,515 0.682,516 1.137,517 0.78,518 0.958,519 0.958,520 0.964,521 0.706,522 1.018,523 0.965,524 1.006,525 1.29,526 1.1,527 0.841,528 1.116,529 0.787,530 0.936,531 1.18,532 1.063,533 0.661,534 1.016,535 4,536 0.124,537 2.444,538 2.486,539 1.494,540 0.876,541 0.425,542 0.296,543 0.208,544 0.236,545 6500,546 20058,547 2.038,548 45.7,549 8,550 8,552 2,553 1,554 2,558 1.686,559 1.899,560 3.19,561 -0.356,567 71.407,568 1.552,569 3.608,570 4.57,571 5.116,572 5.203,573 5.203,574 2.634,575 4.244,576 4.605,577 3.397,578 1019.06,579 8.001,580 12297.8,585 254.084,586 1.44,587 4.569,588 0.148,589 0.008,590 0.066,591 0.065,592 0.04,593 0.024,594 0.013,595 0.011,596 0.009,597 0.012,598 0.399,599 0.33,600 1,601 1.723,602 119.628,603 -0.046,604 -0.105,605 0.014,606 0.002,607 -0.042,608 0.017,609 0.119,610 0.02,611 0.051,612 0.054,613 0.219,614 0.038,615 -0.083,616 -0.013,617 -0.023,618 0.044,619 -0.078,620 0.033,621 -0.068,622 0.063,623 -0.058,624 0.012,625 -0.061,626 -0.035,627 -0.003,628 -0.167,629 -0.043,630 -0.128,631 -0.061,632 -0.152,633 -0.06,634 0.013,635 -0.025,636 0.013,637 -0.058,638 -0.017,639 -0.11,640 -0.061,641 -0.143,642 -0.092,643 -0.094,644 -0.108,645 0.037,646 -0.009,647 0.01,648 -0.05,649 0.024,650 0.006,651 2.395,652 3.662,653 0.6,654 23.475,655 1,656 1.12,657 3.338,658 11.141,659 0.682,660 3.332,661 3.638,662 3.912,663 4.234,664 4.489,665 4.585,666 4.71,667 4.804,668 4.771,669 4.691,670 5.848,671 0.643,672 356.88,673 3.332,674 4.86,675 5.707,676 6.594,677 7.478,678 8.384,679 9.287,680 10.204,681 11.118,682 12.041,683 4.3,691 1,693 1,698 2,699 7,700 1,704 4,705 1,706 16,723 1,724 46,726 17,727 1,728 27,730 48,731 20,733 13,734 3,735 3,739 3,740 4,741 1,751 5,753 14,754 6,756 1,761 1,765 1,772 21,773 3,774 1,775 5,776 1,779 2,784 0.667,785 2,795 1,797 1,801 1,802 2,805 1,818 1,830 1,832 2,836 1,837 1,840 25,845 1,846 5,861 1,862 4.3,864 1,865 1,869 13.167,870 8.493,871 5.583,872 2.894,874 3.172,875 1.447,876 0.961,877 5.643,878 10.273,879 3.611,880 4.23,881 4.849,882 5.524,883 6.115,884 6.487,885 6.948,886 7.37,887 7.579,888 7.772,889 1,890 38,891 9.215,893 3.844,894 7.791,895 17.725,897 14.521,899 2.291,900 57.278,903 1,904 235.422,905 104.801,906 18.685,907 39.149,908 67.828,911 104.801,912 342.399,913 18.685,914 8.396,915 12.673,916 47.381,917 109.066,918 32.439,919 4.901,920 211.88,921 39.149,922 235.422,923 123.485,924 67.828,925 39.149,927 235.422,928 67.828,931 32.667,932 74.033,933 55.934,935 235.422,936 86.513,937 143.949,940 235.422,941 30.928,942 75.772,944 123.762,945 235.422,946 86.513,947 143.949,949 0.571,950 0.321,951 0.183,952 0.108,953 17,954 8,955 0.146,956 7,957 1,958 1.133,959 3.645,960 205.219,961 0.133,962 15,963 116.096,968 17.811,969 7.92,970 3.984,971 2.302,972 84.614,973 13.633,974 4.255,978 4.216,979 2.19,980 42.683,981 465.884,982 36,987 10.662,991 -0.729,994 46.018,995 51.511,996 0.281,997 0.653,998 0.827,999 0.926,1000 0.942,1001 0.942,1002 4.828,1003 1.24,1004 5.687,1005 3.367,1006 4.317,1007 4.916,1008 2.258,1009 6.521,1010 4.246,1011 6.043,1012 1.045,1013 7.253,1014 2.854,1015 3.892,1016 4.796,1017 2.243,1018 7.516,1019 3.746,1020 7.358,1021 1,1022 8.932,1023 2.546,1024 5.905,1025 7.187,1026 3.628,1027 10.699,1028 5.778,1029 8.718,1030 0.692,1031 10.681,1032 2.136,1033 6.347,1034 7.956,1035 4.112,1036 12.625,1037 6.163,1038 10.117,1039 0.055,1040 12.479,1041 1.535,1042 7.843,1043 9.833,1044 5.201,1045 15.349,1046 7.663,1047 11.547,1048 -0.25,1049 14.311,1050 0.134,1051 8.71,1052 11.033,1053 5.889,1054 17.644,1055 8.487,1056 13.003,1057 -0.391,1058 16.17,1059 -0.581,1060 10.01,1061 12.709,1062 6.849,1063 20.223,1064 9.777,1065 3.378,1066 -0.811,1067 18.049,1068 -0.928,1069 11.077,1070 14.11,1071 7.625,1072 22.656,1073 10.807,1074 2.628,1075 12.358,1076 19.944,1077 -1.987,1078 12.311,1079 15.708,1080 8.526,1081 25.189,1082 12.022,1083 2.241,1084 8.706,1085 21.852,1086 4.755,1087 13.464,1088 17.199,1089 9.342,1090 27.673,1091 13.142,1092 2.223,1093 6.945,1094 23.769,1095 3.639,1096 14.679,1097 18.77,1098 10.216,1099 30.192,1100 14.333,1101 2.133,1102 6.049,1103 25.695,1104 3.095,1105 15.868,1106 20.299,1107 11.051,1108 32.694,1109 15.491,1110 1.735,1111 5.183,1112 27.627,1113 2.84,1114 17.08,1115 21.86,1116 11.912,1117 35.209,1118 16.676,1119 1.584,1120 4.858,1121 29.564,1122 2.71,1123 18.284,1124 23.406,1125 12.755,1126 37.719,1127 17.85,1128 6493,1129 11479,1130 17.8,1131 31.392,1132 40.277,1133 40.973,1134 41.437,1135 40.156,1136 39.911,1137 53.324,1138 4.682,1139 113.339,1140 38.296,1141 5.706,1142 5.596,1143 6.919,1144 5.385,1145 5.378,1146 7.755,1147 3.925,1148 19.863,1149 5.281,1150 12.923,1151 1.492,1152 1.518,1153 1.535,1154 1.487,1155 1.478,1156 1.975,1157 0.173,1158 4.198,1159 1.418,1160 4.173,1161 4.202,1162 4.177,1163 4.097,1164 7.474,1165 4.103,1166 3.81,1167 3.849,1168 3.82,1169 3.721,1170 6.351,1171 3.722,1172 3.74,1173 3.792,1174 3.637,1175 3.604,1176 5.024,1177 3.592,1178 3.496,1179 3.533,1180 3.586,1181 3.367,1182 4.879,1183 3.364,1184 3.398,1185 3.458,1186 3.318,1187 3.199,1188 4.585,1189 3.207,1190 3.13,1191 3.184,1192 2.997,1193 2.935,1194 4.102,1195 2.936,1196 2.892,1197 2.96,1198 2.95,1199 2.723,1200 3.956,1201 2.711,1202 2.822,1203 2.889,1204 2.698,1205 2.682,1206 3.832,1207 2.662,1208 0.177,1209 0.133,1210 0.264,1211 0.161,1212 0.125,1213 4.791,1214 0.176,1215 3.596,1216 0.087,1217 7.117,1218 0.458,1219 4.349,1220 0.122,1221 3.378,1222 4.755,1223 2.341,1224 12.358,1225 3.281,1226 1.944,1227 1.926,1228 2.043,1229 2.023,1230 1.37,1231 2.025,1232 1.881,1233 1.845,1234 1.986,1235 2.002,1236 1.172,1237 2.008,1238 1.737,1239 1.684,1240 1.938,1241 1.899,1242 1.093,1243 1.917,1244 1.531,1245 1.481,1246 1.736,1247 1.726,1248 0.923,1249 1.729,1250 1.351,1251 1.289,1252 1.619,1253 1.587,1254 0.731,1255 1.598,1256 1.115,1257 1.07,1258 1.367,1259 1.34,1260 0.543,1261 1.346,1262 0.874,1263 0.813,1264 1.172,1265 1.123,1266 0.309,1267 1.142,1268 0.829,1269 0.772,1270 1.102,1271 1.008,1272 0.185,1273 1.043,1274 4.007,1276 5.313,1277 2.398,1278 6.817,1279 4.949,1280 8.422,1281 7.222,1282 10.091,1284 2.062,1285 6.23,1289 8.773,1290 3.684,1300 29.568,1301 71.407,1302 165.962,1303 210.21,1304 235.329,1305 239.329,1306 239.329,1307 42.988,1308 7.101,1309 55.12,1310 55.12,1311 17,1312 12.55,1313 4.17,1314 3.322,1315 41.54,1316 81,1317 107,1318 0.242,1319 186.932,1320 318.45,1321 447.874,1322 10282,1323 2.2,1324 17.811,1325 0.712,1326 0.598,1327 18.311,1328 14.961,1329 12.075,1330 0.447,1331 0.328,1332 8.42,1333 11.445,1334 8.168,1335 6.783,1336 12.364,1337 8.845,1338 10.776,1339 0.291,1340 0.181,1341 11.184,1342 6.68,1343 8.557,1344 0.175,1345 0.097,1346 8.819,1347 4.754,1348 7.368,1349 0.108,1350 0.052,1351 7.587,1352 3.544,1353 6.132,1354 0.07,1355 0.029,1356 6.403,1357 2.547,1358 0.371,1359 77.904,1360 0.237,1361 24.09,1362 0.69,1363 128,1364 361.379,1365 151.75,1366 383.29,1367 509.54,1368 356,1369 150,1370 346.811,1371 167.246,1372 363.555,1373 528.54,1374 342,1375 8.699} {0 CHEMBL301609,1 1.476,2 14.31,3 2.795,4 7.811,5 111,6 6.632,7 0.367,8 4.173,9 4.29,10 3.625,11 3.595,12 5.197,13 3.574,14 4.748,15 4.937,16 3.86,17 3.918,18 5.728,19 3.867,20 4.93,21 5.153,22 3.817,23 4.009,24 5.825,25 3.909,26 4.964,27 5.203,28 3.776,29 4.006,30 5.842,31 3.892,32 4.991,33 5.241,34 3.749,35 3.991,36 5.844,37 3.872,38 4.964,39 5.225,40 3.731,41 3.98,42 5.777,43 3.853,44 4.921,45 5.172,46 3.728,47 4,48 5.769,49 3.864,50 4.96,51 5.236,52 3.695,53 4.014,54 5.701,55 3.871,56 0.009,57 0.802,58 14.435,59 5.81,60 9.212,61 7.92,62 0.485,63 1.188,64 27.502,65 8.761,66 41.675,67 12.316,68 0.611,69 1.313,70 33.17,71 10.669,72 48.516,73 15.162,74 0.495,75 1.338,76 34.15,77 10.898,78 52.39,79 15.744,80 0.564,81 1.337,82 35.369,83 10.874,84 56.721,85 15.869,86 0.63,87 1.328,88 34.342,89 10.57,90 50.825,91 15.707,92 0.563,93 1.342,94 32.43,95 10.648,96 52.629,97 15.811,98 0.424,99 1.388,100 33.638,101 10.738,102 39.376,103 16.314,104 22,105 36,106 0.242,107 0.55,108 0.815,109 0.877,110 0.877,111 0.877,112 3.407,113 1.015,114 -3.17,115 -3.16,116 -3.04,118 36.1,119 1,120 4,123 1,124 5,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 7,171 2,172 7,180 6,185 2,186 7,194 3,197 1,198 7,206 1,209 1,210 6,218 1,221 2,222 5,229 1,233 2,234 7,242 2,247 6,255 3,258 1,259 4,267 5,270 1918,271 19.982,272 19.982,273 19.982,274 19.982,275 19.982,276 18.483,277 22.985,278 12.675,279 20.79,280 14.758,281 14.758,282 14.758,283 14.758,284 14.758,285 12.479,286 22.094,287 5.943,288 15.822,289 4.454,290 2.578,291 0.959,292 0.582,293 0.582,294 0.582,295 4.078,299 1,300 1,301 844,302 4.528,305 105.337,306 122.505,313 2.205,314 26.908,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 64,326 415,327 4.035,328 3.681,329 5.584,330 3.632,331 2.687,332 3.635,333 2.443,334 7.703,335 2.582,336 3.956,337 3.016,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.655,346 2.907,347 5.113,348 3.351,349 2.373,350 2.825,351 0.86,352 6.29,353 2.298,354 3.496,355 2.66,356 5.042,357 3.189,358 2.277,359 2.767,360 0.86,361 6.115,362 2.078,363 3.381,364 2.49,365 5.029,366 3.109,367 2.17,368 2.434,369 0.286,370 6.066,371 2.019,372 2.745,373 1.98,374 3.784,375 2.693,376 1.717,377 1.75,379 3.506,380 1.671,381 2.578,382 1.824,383 3.505,384 2.16,385 1.269,386 1.602,388 2.714,389 1.128,390 2.5,391 1.722,392 3.421,393 2.142,394 1.232,395 1.5,397 2.579,398 1.109,399 2.296,400 1.426,401 3.414,402 2,403 1.058,404 1.29,406 2.275,407 1,408 2.147,409 1.211,410 3.224,411 1.96,412 1,413 1.124,415 2.121,416 0.942,417 2.118,418 1.105,419 3,420 1.8,421 0.853,422 0.927,424 1.53,425 0.796,426 1.984,427 1,428 2.918,429 1.554,430 0.618,431 0.917,433 1.372,434 0.577,435 1.676,436 0.771,437 2.782,438 1.417,439 0.545,440 0.598,442 0.894,443 0.47,444 1.337,445 0.618,446 2.531,447 1.186,448 0.244,449 0.255,451 0.49,452 0.226,453 1.081,454 0.442,455 2.449,456 0.86,457 -0.059,458 -0.065,460 -0.126,461 -0.054,462 13.467,463 0.464,464 0.379,465 0.013,466 30.5,467 1.052,468 12,469 0.414,470 18.5,471 0.638,472 27.009,473 0.931,474 34.533,475 0.566,476 22.13,477 0.763,478 6.249,479 0.215,480 7.958,481 0.274,482 0.099,484 0.178,487 0.836,488 1.646,489 0.889,490 1.472,491 0.648,492 1.229,493 1.317,494 1.056,495 1.098,496 1.036,497 0.842,498 1.022,499 1.198,500 1.004,501 1.092,502 1.035,503 1.062,504 1.048,505 1.14,506 1.05,507 1.069,508 1.081,509 1.22,510 1.067,511 1.2,512 0.99,513 1.051,514 0.997,515 1.249,516 1.001,517 0.985,518 0.904,519 0.973,520 0.909,521 0.83,522 0.933,523 0.752,524 1.075,525 0.979,526 1.052,527 0.707,528 1.058,529 0.798,530 0.948,531 0.917,532 0.914,533 0.578,534 0.928,535 4.5,536 0.155,537 1.778,538 0.972,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 11897,546 31948,547 1.996,548 52.5,549 4,550 18,551 1,552 2,554 2,555 5,558 1.719,559 1.912,560 3.779,561 -0.751,563 1,567 90.058,568 1.476,569 3.353,570 4.971,571 5.349,572 5.349,573 5.349,574 3.28,575 4.306,576 4.824,577 3.969,578 1611.52,579 8.402,580 24625.4,582 1,585 361.775,586 1.113,587 4.811,588 0.15,589 0.006,590 0.049,591 0.029,592 0.019,593 0.016,594 0.008,595 0.006,596 0.007,597 0.004,598 0.294,599 0.33,600 0.88,601 2.112,602 153.271,603 -0.004,604 -0.325,605 0.066,606 -0.214,607 0.011,608 -0.082,609 -0.086,610 0.052,611 -0.069,612 0.006,613 0.019,614 -0.022,615 -0.051,616 -0.004,617 -0.085,618 -0.023,619 -0.074,620 -0.057,621 -0.086,622 -0.066,623 -0.076,624 -0.085,625 -0.092,626 -0.08,627 -0.1,628 -0.041,629 -0.051,630 -0.03,631 -0.116,632 -0.032,633 0.001,634 0.057,635 0.012,636 0.051,637 -0.009,638 0.037,639 0.083,640 -0.069,641 -0.022,642 -0.044,643 0.066,644 -0.052,645 -0.053,646 0.041,647 0.03,648 0.059,649 -0.031,650 0.063,651 1.793,652 4.347,653 0.379,654 36.704,655 1.002,656 1.136,657 1.939,658 3.76,659 0.618,660 3.434,661 3.611,662 3.738,663 3.85,664 3.871,665 3.871,666 3.871,667 3.85,668 3.932,669 3.989,670 8.366,671 0.582,672 404.56,673 3.434,674 4.89,675 5.659,676 6.454,677 7.236,678 8.036,679 8.825,680 9.628,681 10.421,682 11.225,683 3.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 61,726 12,727 1,728 30,730 62,731 22,733 9,734 2,735 4,739 2,740 2,745 1,751 5,753 10,754 12,756 1,761 1,765 1,769 1,772 32,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 1,819 1,831 2,832 2,836 2,840 29,846 9,848 4,850 1,862 8.2,865 1,866 2,867 2,869 15.167,870 11.15,871 6.917,872 3.797,874 1.445,875 1.219,876 0.901,877 11.42,878 8.055,879 3.624,880 4.021,881 4.39,882 4.774,883 4.959,884 4.905,885 4.924,886 4.876,887 5.062,888 5.294,889 0.9,890 33,891 10.732,893 4.195,894 7.701,895 20.703,897 15.715,899 2.201,900 63.833,903 1,904 376.675,905 130.56,906 18.685,908 69.144,911 130.56,912 445.82,913 18.685,914 19.708,915 30.613,916 46.952,917 103.282,918 41.375,919 11.771,920 341.362,922 376.675,923 149.245,924 69.144,927 317.82,928 106,929 22,931 59.004,932 73.456,933 16.786,935 376.675,936 87.829,937 130.56,940 376.675,941 46.234,942 86.226,944 85.93,945 376.675,946 87.829,947 130.56,949 0.54,950 0.298,951 0.151,952 0.07,953 11,954 5,955 0.258,956 16,958 1,959 4.33,960 211.245,962 11,963 136.881,968 23.396,969 14.155,970 9.927,972 85.93,973 13.286,974 4.083,978 1.921,979 1.988,981 595.065,982 36.5,987 11.347,991 -0.127,994 61.094,995 69.272,996 0.249,997 0.565,998 0.838,999 0.902,1000 0.902,1001 0.902,1002 4.785,1003 1.232,1004 5.549,1005 2.714,1006 4.29,1007 4.705,1008 2.812,1009 6.163,1010 4.164,1011 5.881,1012 1.058,1013 6.98,1014 2.579,1015 3.434,1016 4.086,1017 2.243,1018 6.629,1019 3.286,1020 7.098,1021 1,1022 8.502,1023 2.275,1024 5.694,1025 6.635,1026 3.957,1027 9.63,1028 5.456,1029 8.348,1030 0.853,1031 10.079,1032 2.121,1033 5.707,1034 6.91,1035 4.269,1036 10.934,1037 5.429,1038 9.632,1039 0.618,1040 11.69,1041 1.53,1042 7.314,1043 8.842,1044 5.512,1045 13.35,1046 6.973,1047 10.936,1048 0.545,1049 13.324,1050 1.372,1051 7.751,1052 9.535,1053 6.158,1054 15.008,1055 7.357,1056 12.256,1057 0.244,1058 14.974,1059 0.894,1060 9.052,1061 11.192,1062 7.214,1063 17.198,1064 8.611,1065 2.687,1066 -0.059,1067 16.633,1068 0.49,1069 9.719,1070 12.107,1071 7.992,1072 19.027,1073 9.218,1074 2.641,1075 7.703,1076 18.3,1077 -0.126,1078 10.863,1079 13.62,1080 8.964,1081 21.12,1082 10.323,1083 2.373,1084 7.335,1085 19.972,1086 3.635,1087 11.659,1088 14.665,1089 9.802,1090 23.037,1091 11.057,1092 2.277,1093 6.29,1094 21.648,1095 3.49,1096 12.722,1097 16.095,1098 10.734,1099 25.088,1100 12.082,1101 2.17,1102 6.115,1103 23.327,1104 2.825,1105 13.591,1106 17.221,1107 11.599,1108 27.053,1109 12.892,1110 1.717,1111 6.066,1112 25.01,1113 2.767,1114 14.611,1115 18.599,1116 12.512,1117 29.086,1118 13.874,1119 1.269,1120 3.506,1121 26.694,1122 2.434,1123 15.524,1124 19.776,1125 13.391,1126 31.078,1127 14.73,1128 11970,1129 19714,1130 20.049,1131 37.705,1132 41.74,1133 42.668,1134 42.548,1135 41.332,1136 41.367,1137 50.227,1138 11.199,1139 101.981,1140 38.693,1141 5.005,1142 5.681,1143 5.415,1144 4.711,1145 4.687,1146 6.635,1147 4.174,1148 13.229,1149 4.582,1150 13.308,1151 1.391,1152 1.422,1153 1.418,1154 1.378,1155 1.379,1156 1.674,1157 0.373,1158 3.399,1159 1.29,1160 3.963,1161 4.017,1162 3.894,1163 3.853,1164 7.432,1165 3.854,1166 3.903,1167 3.937,1168 3.842,1169 3.724,1170 4.962,1171 3.75,1172 3.769,1173 3.818,1174 3.645,1175 3.611,1176 4.876,1177 3.607,1178 3.605,1179 3.639,1180 3.496,1181 3.377,1182 4.646,1183 3.397,1184 3.504,1185 3.559,1186 3.349,1187 3.295,1188 4.472,1189 3.298,1190 3.351,1191 3.413,1192 3.181,1193 3.151,1194 4.454,1195 3.141,1196 3.278,1197 3.34,1198 3.098,1199 3.058,1200 4.257,1201 3.065,1202 3.086,1203 3.156,1204 2.883,1205 2.825,1206 3.995,1207 2.818,1208 0.135,1209 0.123,1210 0.186,1211 0.121,1212 0.09,1213 4.035,1214 0.121,1215 3.681,1216 0.081,1217 5.584,1218 0.257,1219 3.632,1220 0.086,1221 2.687,1222 3.635,1223 2.443,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.017,1229 2.008,1230 1.334,1231 2.01,1232 1.759,1233 1.708,1234 1.994,1235 1.954,1236 1.192,1237 1.963,1238 1.674,1239 1.621,1240 1.869,1241 1.891,1242 1.124,1243 1.889,1244 1.503,1245 1.446,1246 1.805,1247 1.756,1248 0.961,1249 1.769,1250 1.382,1251 1.321,1252 1.653,1253 1.632,1254 0.912,1255 1.631,1256 1.328,1257 1.266,1258 1.596,1259 1.578,1260 0.699,1261 1.59,1262 1.281,1263 1.219,1264 1.54,1265 1.526,1266 0.606,1267 1.524,1268 1.196,1269 1.124,1270 1.453,1271 1.486,1272 0.519,1273 1.494,1274 4.111,1276 5.323,1277 2.398,1278 6.698,1279 4.443,1280 8.149,1281 6.26,1282 9.643,1284 3.475,1290 5.898,1292 22.024,1294 -0.062,1300 35.519,1301 90.058,1302 204.517,1303 303.246,1304 326.265,1305 326.265,1306 326.265,1307 66.263,1308 6.609,1309 71.81,1310 71.81,1311 11,1312 11.821,1313 3.7,1314 2.907,1315 65.573,1316 136,1317 166,1318 0.212,1319 223.021,1320 392.75,1321 535.93,1322 6208,1324 20.736,1325 0.715,1326 0.601,1327 20.736,1328 17.418,1329 14.207,1330 0.474,1331 0.338,1332 9.936,1333 13.386,1334 9.689,1335 8.076,1336 14.207,1337 10.145,1338 11.364,1339 0.316,1340 0.187,1341 11.364,1342 6.731,1343 8.751,1344 0.213,1345 0.107,1346 8.751,1347 4.389,1348 6.638,1349 0.144,1350 0.062,1351 6.638,1352 2.845,1353 4.374,1354 0.093,1355 0.036,1356 4.374,1357 1.696,1358 0.347,1359 90.864,1360 0.223,1361 28.682,1362 0.542,1363 132,1364 453.968,1365 150.692,1366 410.293,1367 538.28,1368 388,1369 143,1370 361.748,1371 160.978,1372 360.531,1373 514.12,1374 335,1375 6.921} {0 CHEMBL302457,1 1.369,2 14.5,3 4.831,4 23.338,5 133.302,6 7.04,7 0.486,8 4.245,9 4.351,10 3.76,11 3.819,12 5.314,13 3.782,14 4.791,15 4.941,16 4.067,17 4.202,18 5.852,19 4.134,20 5.076,21 5.283,22 4.091,23 4.33,24 5.995,25 4.222,26 5.133,27 5.363,28 4.039,29 4.318,30 6.013,31 4.196,32 5.137,33 5.374,34 4.033,35 4.325,36 5.99,37 4.198,38 5.126,39 5.375,40 3.991,41 4.306,42 5.96,43 4.168,44 5.087,45 5.329,46 3.934,47 4.257,48 5.937,49 4.119,50 5.055,51 5.304,52 3.889,53 4.202,54 5.898,55 4.071,56 0.039,57 0.825,58 13.906,59 6.617,60 12.53,61 8.419,62 0.282,63 1.364,64 25.82,65 10.984,66 48.557,67 14.178,68 0.41,69 1.742,70 36.235,71 14.57,72 55.992,73 19.372,74 0.446,75 1.814,76 39.301,77 15.188,78 61.74,79 20.379,80 0.357,81 1.838,82 39.309,83 15.397,84 55.369,85 20.883,86 0.381,87 1.837,88 38.96,89 15.166,90 54.159,91 20.954,92 0.324,93 1.746,94 37.422,95 14.665,96 54.502,97 19.998,98 0.408,99 1.673,100 36.865,101 13.877,102 57.663,103 18.878,104 12,105 48,106 0.217,107 0.54,108 0.743,109 0.854,110 0.887,111 0.887,112 3.56,113 0.961,114 -4.67,115 -4.59,116 -4.32,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 7,175 1,177 1,180 23,181 1,185 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,210 7,215 1,218 16,219 1,221 1,222 8,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 8,252 1,255 15,259 5,260 2,267 16,268 1,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 18.279,278 14.589,279 23.807,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.605,286 19.36,287 7,288 18.795,289 4.653,290 2.616,291 1.34,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 28.525,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 72.5,326 493,327 4.249,328 3.597,329 6.705,330 4.105,331 3.144,332 3.889,333 2.341,334 10.882,335 3.019,336 4.231,337 3.486,338 6.143,339 3.868,340 2.869,341 3.592,342 1.151,343 9.054,344 2.867,345 3.813,346 2.958,347 5.734,348 3.473,349 2.504,350 3.304,351 1.151,352 7.706,353 2.429,354 3.694,355 2.809,356 5.323,357 3.369,358 2.379,359 2.899,361 6.892,362 2.349,363 3.559,364 2.559,365 4.659,366 3.241,367 2.235,368 2.722,370 5.184,371 2.222,372 3.269,373 2.174,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.166,382 2.023,383 4.441,384 2.76,385 1.769,386 2.233,388 4.457,389 1.748,390 3.009,391 1.846,392 4.111,393 2.643,394 1.7,395 2.151,397 3.778,398 1.593,399 2.661,400 1.774,401 3.692,402 2.365,403 1.397,404 1.727,406 3.159,407 1.343,408 2.546,409 1.503,410 3.52,411 2.182,412 1.201,413 1.542,415 2.739,416 1.178,417 2.5,418 1.369,419 3.496,420 2.035,421 1.105,422 1.5,424 2.628,425 1.018,426 2.5,427 1.201,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.247,438 2,439 1,440 1.5,442 2.136,443 1,444 2.324,445 1,446 3.247,447 1.955,448 1,449 1.301,451 2.136,452 0.952,453 1.977,454 1,455 3.213,456 1.868,457 0.91,458 0.936,460 1.958,461 0.861,462 16.233,463 0.477,464 0.554,465 0.016,466 41,467 1.206,468 20.5,469 0.603,470 20.5,471 0.603,472 30.967,473 0.911,474 36.567,475 0.563,476 31.173,477 0.917,478 8.214,479 0.242,480 8.49,481 0.25,482 0.041,484 0.246,487 0.797,488 1.134,489 0.842,490 1.076,491 0.734,492 0.983,493 1.014,494 1.117,495 1.053,496 1.109,497 0.609,498 1.089,499 1.006,500 1.063,501 1.052,502 1.072,503 0.885,504 1.071,505 1.112,506 0.959,507 1.041,508 0.984,509 0.789,510 1.002,511 0.994,512 1.01,513 0.998,514 1.002,515 0.619,516 1.003,517 0.818,518 0.947,519 0.963,520 0.973,521 0.605,522 0.983,523 0.946,524 1.039,525 1.021,526 1.048,527 0.782,528 1.046,529 1.12,530 0.884,531 1,532 0.887,533 0.857,534 0.92,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47693,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 88.992,568 1.369,569 3.407,570 4.683,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.88,601 1.437,602 185.955,603 -0.022,604 -0.03,605 0.043,607 -0.044,608 0.025,609 0.005,610 -0.061,611 -0.112,612 -0.08,613 0.099,614 -0.107,615 -0.001,616 -0.072,617 -0.08,618 -0.071,619 -0.06,620 -0.085,621 -0.06,622 0.015,623 -0.048,624 -0.001,625 -0.034,626 -0.021,627 -0.06,628 -0.037,629 -0.017,630 -0.015,631 0.001,632 -0.012,633 0.005,634 0.039,635 0.012,636 0.007,637 -0.002,638 0.011,639 -0.049,640 -0.068,641 -0.043,642 -0.063,643 -0.048,644 -0.054,645 -0.101,646 0.083,647 0.001,648 0.084,649 -0.077,650 0.061,651 2.434,652 3.691,653 0.676,654 47.298,655 0.995,656 1.116,657 3.444,658 11.86,659 0.665,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.627,672 457.61,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 5,774 1,775 5,779 1,784 1,785 4,790 1,795 1,801 1,802 3,818 1,822 2,830 1,831 2,832 4,840 34,845 1,846 6,848 2,850 3,862 6.2,864 1,865 1,866 2,869 16.667,870 11.15,871 7.694,872 3.954,874 2.881,875 1.369,876 0.949,877 8.754,878 10.69,879 3.892,880 4.376,881 4.842,882 5.326,883 5.823,884 5.871,885 6.236,886 6.503,887 6.774,888 7.02,889 0.9,890 47,891 12.598,893 5.265,894 7.686,895 24.409,897 20.044,899 2.186,900 74.333,904 353.133,905 174.261,906 16.786,908 89.828,911 174.261,912 442.961,913 16.786,915 19.323,916 123.191,917 131.066,918 30.837,920 329.591,922 353.133,923 191.047,924 89.828,927 341.362,928 79.599,929 22,931 37.418,932 117.891,933 35.738,935 353.133,936 106.614,937 174.261,940 353.133,941 32.975,942 141.286,944 106.614,945 353.133,946 106.614,947 174.261,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,968 24.034,969 12.384,970 6.949,972 106.614,973 26.484,974 4.262,978 4.602,980 42.683,981 634.008,982 48,987 10.691,989 4.022,991 -0.768,994 64.665,995 72.564,996 0.227,997 0.566,998 0.778,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 2.699,1009 6.632,1010 4.525,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.836,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 3.799,1027 10.535,1028 5.988,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.2,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.339,1044 5.251,1045 14.873,1046 7.746,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.983,1053 5.889,1054 16.982,1055 8.395,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.763,1062 6.861,1063 19.422,1064 9.677,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.658,1071 7.625,1072 21.682,1073 10.546,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.273,1080 8.529,1081 24.073,1082 11.711,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.327,1089 9.342,1090 26.397,1091 12.69,1092 2.379,1093 7.706,1094 23.305,1095 3.592,1096 14.139,1097 16.84,1098 10.217,1099 28.775,1100 13.805,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.997,1107 11.051,1108 31.129,1109 14.839,1110 1.846,1111 5.184,1112 27.019,1113 2.899,1114 16.345,1115 19.446,1116 11.912,1117 33.505,1118 15.935,1119 1.769,1120 4.695,1121 28.884,1122 2.722,1123 17.447,1124 20.67,1125 12.755,1126 35.873,1127 16.995,1128 17770,1129 28527,1130 25.424,1131 43.245,1132 54.414,1133 55.041,1134 54.508,1135 53.81,1136 53.837,1137 68.696,1138 9.285,1139 143.437,1140 52.382,1141 5.2,1142 5.597,1143 6.529,1144 5.206,1145 5.144,1146 6.889,1147 3.925,1148 18.009,1149 5.019,1150 12.033,1151 1.471,1152 1.488,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.251,1158 3.877,1159 1.416,1160 4.03,1161 4.055,1162 3.965,1163 3.969,1164 7.474,1165 3.964,1166 3.952,1167 3.981,1168 3.885,1169 3.854,1170 6.351,1171 3.857,1172 3.778,1173 3.82,1174 3.695,1175 3.701,1176 4.928,1177 3.694,1178 3.76,1179 3.797,1180 3.658,1181 3.66,1182 4.843,1183 3.652,1184 3.676,1185 3.714,1186 3.577,1187 3.529,1188 4.697,1189 3.532,1190 3.462,1191 3.497,1192 3.351,1193 3.264,1194 4.581,1195 3.275,1196 3.206,1197 3.246,1198 3.088,1199 3.049,1200 4.385,1201 3.05,1202 3.111,1203 3.158,1204 2.946,1205 2.887,1206 4.287,1207 2.893,1208 0.115,1209 0.097,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 3.597,1216 0.063,1217 6.705,1218 0.294,1219 4.105,1220 0.082,1221 3.144,1222 3.889,1223 2.341,1224 10.882,1225 3.019,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.385,1231 2.073,1232 1.879,1233 1.845,1234 2.027,1235 1.999,1236 1.216,1237 2.007,1238 1.78,1239 1.748,1240 1.943,1241 1.913,1242 1.155,1243 1.927,1244 1.763,1245 1.72,1246 1.917,1247 1.874,1248 1.015,1249 1.889,1250 1.605,1251 1.562,1252 1.82,1253 1.781,1254 0.993,1255 1.793,1256 1.387,1257 1.346,1258 1.633,1259 1.629,1260 0.906,1261 1.626,1262 1.246,1263 1.21,1264 1.474,1265 1.493,1266 0.651,1267 1.481,1268 1.132,1269 1.085,1270 1.389,1271 1.34,1272 0.588,1273 1.353,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.791,1290 3.567,1292 12.534,1294 0.148,1300 40.783,1301 88.992,1302 221.439,1303 304.381,1304 349.944,1305 363.454,1306 363.454,1307 65.989,1308 7.809,1309 68.65,1310 68.65,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 249.953,1320 445.24,1321 601.645,1322 28907,1324 23.589,1325 0.694,1326 0.566,1327 23.589,1328 19.254,1329 16.704,1330 0.451,1331 0.32,1332 11.73,1333 16.233,1334 11.496,1335 9.506,1336 16.704,1337 11.848,1338 14.205,1339 0.296,1340 0.179,1341 14.205,1342 8.598,1343 11.504,1344 0.189,1345 0.102,1346 11.504,1347 6.203,1348 9.43,1349 0.122,1350 0.057,1351 9.43,1352 4.396,1353 7.501,1354 0.081,1355 0.032,1356 7.501,1357 2.978,1358 0.251,1359 103.692,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 471.001,1365 182.902,1366 450.711,1367 605.6,1368 424,1369 194,1370 422.87,1371 206.572,1372 430.016,1373 622.37,1374 405,1375 7.658} {0 CHEMBL302970,1 1.724,2 14.067,3 3.954,4 15.631,5 115.041,6 7.983,7 0.387,8 4.113,9 4.211,10 3.85,11 3.664,12 5.185,13 3.61,14 4.669,15 4.824,16 4.101,17 4.026,18 5.967,19 3.938,20 4.97,21 5.188,22 4.093,23 4.157,24 6.004,25 4.018,26 5.004,27 5.236,28 3.947,29 4.1,30 6.026,31 3.955,32 5.003,33 5.254,34 3.961,35 4.065,36 5.951,37 3.921,38 4.977,39 5.214,40 3.976,41 4.042,42 6.057,43 3.913,44 4.938,45 5.179,46 3.855,47 4.024,48 5.961,49 3.875,50 4.891,51 5.134,52 3.871,53 4.013,54 5.872,55 3.863,56 0.134,57 0.787,58 14.206,59 5.915,60 24.642,61 7.043,62 0.512,63 1.22,64 24.553,65 9.859,66 87.925,67 12.201,68 0.644,69 1.483,70 41.987,71 13.68,72 92.812,73 16.822,74 0.702,75 1.486,76 43.245,77 13.489,78 114.127,79 16.881,80 0.733,81 1.455,82 43.838,83 13.116,84 111.377,85 16.784,86 0.868,87 1.397,88 41.079,89 12.506,90 131.74,91 16.12,92 0.842,93 1.381,94 37.695,95 12.087,96 118.225,97 15.784,98 0.644,99 1.358,100 39.648,101 12.084,102 88.122,103 15.37,104 29,105 40,106 0.284,107 0.601,108 0.78,109 0.886,110 0.886,111 0.886,112 3.439,113 1.135,114 -3.47,115 -3.45,116 -3.3,118 36.8,120 6,121 1,124 2,140 6,142 3,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 4,175 3,177 2,180 10,181 1,185 1,186 8,191 4,194 9,195 1,198 9,203 4,206 4,207 2,210 7,215 3,218 5,219 1,222 7,223 1,227 4,229 7,230 1,233 1,234 5,237 1,239 2,242 8,247 6,250 1,253 1,255 8,256 1,259 4,260 1,262 1,263 1,264 1,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 14.591,278 12.194,279 20.282,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 9.662,287 5.838,288 16.201,289 4.109,290 2.186,291 1.101,292 0.456,293 0.456,294 0.456,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 44.616,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 66.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.597,338 5.37,339 3.537,340 2.562,341 3.444,342 0.86,343 7.047,344 2.52,345 3.835,346 2.898,347 5.313,348 3.436,349 2.477,350 3.393,352 6.896,353 2.344,354 3.612,355 2.877,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.47,365 4.733,366 3.14,367 2.135,368 2.427,370 5.057,371 2.119,372 3.085,373 1.967,374 4.611,375 2.686,376 1.732,377 2.292,379 4.77,380 1.635,381 2.936,382 1.79,383 3.745,384 2.513,385 1.572,386 2.101,388 3.356,389 1.438,390 2.651,391 1.603,392 3.665,393 2.455,394 1.504,395 1.647,397 3.199,398 1.403,399 2.5,400 1.313,401 3.414,402 2.048,403 1.095,404 1.5,406 2.37,407 1.035,408 2.5,409 1.138,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.813,430 0.838,431 0.877,433 1.81,434 0.811,435 1.544,436 0.891,437 2.861,438 1.39,439 0.42,440 0.448,442 0.924,443 0.402,444 1.12,445 0.57,446 2.693,447 0.91,448 -0.031,449 -0.033,451 -0.072,452 -0.029,453 1.082,454 0.386,455 2.543,456 0.621,457 -0.222,458 -0.273,460 -0.488,461 -0.149,462 14.514,463 0.484,464 0.721,465 0.024,466 35,467 1.167,468 17,469 0.567,470 18,471 0.6,472 28.19,473 0.94,474 34.686,475 0.609,476 25.999,477 0.867,478 6.468,479 0.216,480 7.897,481 0.263,482 0.141,483 0.057,484 0.172,487 0.645,488 1.383,489 0.755,490 1.246,491 0.68,492 1.034,493 0.638,494 1.217,495 0.829,496 1.086,497 0.466,498 1.11,499 0.957,500 1.048,501 1.049,502 1.07,503 0.832,504 1.025,505 1.066,506 1.044,507 1.031,508 1.055,509 1.069,510 1.05,511 0.998,512 0.907,513 0.722,514 0.831,515 0.985,516 0.909,517 0.977,518 0.937,519 0.821,520 0.92,521 0.991,522 0.978,523 0.914,524 0.923,525 0.832,526 0.851,527 0.966,528 0.98,529 0.914,530 0.944,531 1.023,532 0.997,533 0.867,534 0.973,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 44822,547 1.951,548 47.4,549 7,550 10,552 2,553 2,554 2,555 4,558 1.726,559 1.827,560 3.758,561 0.276,563 1,567 98.244,568 1.724,569 3.647,570 4.732,571 5.377,572 5.377,573 5.377,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.022,604 -0.108,605 0.131,606 -0.058,607 -0.09,608 0.014,609 0.181,610 -0.081,611 0.001,612 -0.065,613 0.268,614 -0.116,615 -0.071,616 -0.047,617 -0.048,618 -0.025,619 -0.016,620 -0.018,621 -0.13,622 -0.077,623 -0.096,624 -0.07,625 -0.087,626 -0.066,627 -0.09,628 0.029,629 0.082,630 0.078,631 -0.088,632 0.061,633 -0.002,634 -0.012,635 0.035,636 -0.013,637 -0.025,638 -0.008,639 0.002,640 0.021,641 -0.016,642 0.049,643 -0.069,644 -0.012,645 -0.069,646 0.049,647 -0.055,648 0.003,649 -0.071,650 0.019,651 4.473,652 5.253,653 0.4,654 34.133,655 1.013,656 1.128,657 2.242,658 5.027,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.622,672 455.02,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 57,726 15,727 1,728 31,730 58,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 9,755 1,756 3,760 1,761 3,765 1,769 1,772 27,773 7,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 8,847 1,848 1,850 1,861 1,862 8.8,864 1,865 3,867 1,869 16.417,870 9.626,871 6.792,872 3.469,874 1.666,875 1.25,876 0.916,877 10.417,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.336,893 4.889,894 8.068,895 20.977,897 16.807,899 2.568,900 77.028,903 1,904 294.278,905 113.87,906 33.191,907 39.149,908 123.141,910 5.807,911 108.062,912 456.567,913 33.191,915 21.905,916 79.07,917 153.379,918 39.389,920 270.735,921 39.149,922 294.278,923 141.253,924 123.141,925 44.956,927 247.193,928 170.226,931 56.405,932 68.062,933 61.742,935 294.278,936 156.332,937 153.018,939 5.807,940 294.278,941 33.11,942 74.952,943 16.405,944 179.075,945 294.278,946 156.332,947 153.018,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.241,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.451,969 12.781,970 9.701,972 156.332,973 12.939,974 3.993,978 1.346,980 59.088,981 603.628,982 40,986 -3.556,987 35.423,991 -0.816,994 57.727,995 64.305,996 0.295,997 0.625,998 0.811,999 0.922,1000 0.922,1001 0.922,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.402,1009 6.447,1010 4.282,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.756,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.657,1027 10.542,1028 5.717,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.016,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.206,1045 15.247,1046 7.467,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.167,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.408,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.313,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.466,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.476,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.598,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.66,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.772,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.86,1128 12899,1129 24230,1130 20.049,1131 37.688,1132 44.316,1133 46.138,1134 45.114,1135 44.497,1136 44.219,1137 56.516,1138 6.402,1139 117.127,1140 41.766,1141 5.81,1142 6.683,1143 7.095,1144 5.343,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.488,1153 1.455,1154 1.435,1155 1.426,1156 1.823,1157 0.207,1158 3.778,1159 1.347,1160 4.074,1161 4.054,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.889,1167 3.925,1168 3.925,1169 3.763,1170 7.474,1171 3.765,1172 3.804,1173 3.852,1174 3.814,1175 3.692,1176 6.999,1177 3.686,1178 3.676,1179 3.707,1180 3.688,1181 3.586,1182 6.351,1183 3.53,1184 3.535,1185 3.548,1186 3.445,1187 3.389,1188 4.966,1189 3.361,1190 3.438,1191 3.475,1192 3.314,1193 3.242,1194 4.925,1195 3.245,1196 3.16,1197 3.209,1198 3.159,1199 2.938,1200 4.429,1201 2.936,1202 2.932,1203 2.993,1204 3.008,1205 2.735,1206 4.273,1207 2.715,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.064,1229 2.029,1230 1.459,1231 2.069,1232 1.849,1233 1.805,1234 1.954,1235 1.993,1236 1.222,1237 2.013,1238 1.791,1239 1.751,1240 1.92,1241 1.935,1242 1.127,1243 1.937,1244 1.621,1245 1.578,1246 1.853,1247 1.805,1248 0.964,1249 1.827,1250 1.432,1251 1.427,1252 1.669,1253 1.663,1254 0.892,1255 1.663,1256 1.374,1257 1.343,1258 1.507,1259 1.562,1260 0.781,1261 1.601,1262 1.105,1263 1.052,1264 1.216,1265 1.35,1266 0.52,1267 1.371,1268 0.886,1269 0.821,1270 1.181,1271 1.177,1272 0.343,1273 1.179,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.789,1289 8.966,1290 4.496,1291 2.587,1292 5.662,1294 0.2,1300 35.48,1301 98.244,1302 207.868,1303 269.746,1304 306.475,1305 306.475,1306 306.475,1307 103.765,1308 6.671,1309 105.59,1310 113.97,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 229.965,1320 406.53,1321 552.874,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.608,1327 22.572,1328 18.239,1329 14.365,1330 0.463,1331 0.378,1332 9.898,1333 12.732,1334 9.57,1335 7.934,1336 15.475,1337 11.726,1338 12.817,1339 0.32,1340 0.229,1341 14.549,1342 9.175,1343 9.156,1344 0.208,1345 0.145,1346 10.552,1347 6.38,1348 6.609,1349 0.138,1350 0.087,1351 7.642,1352 4.198,1353 5.081,1354 0.092,1355 0.055,1356 6.042,1357 3.016,1358 0.35,1359 101.566,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 494.134,1365 209.454,1366 516.037,1367 659.87,1368 472,1369 155,1370 403.637,1371 221.352,1372 449.286,1373 639.64,1374 420,1375 7.886} {0 CHEMBL30395,1 1.644,2 8.765,3 0.558,4 0.311,5 63.042,6 7.709,7 0.611,8 3.511,9 3.632,10 3.096,11 2.985,12 4.717,13 2.995,14 3.982,15 4.146,16 3.37,17 3.307,18 5.204,19 3.296,20 4.143,21 4.337,22 3.239,23 3.336,24 5.263,25 3.274,26 4.097,27 4.312,28 3.068,29 3.213,30 5.213,31 3.128,32 4.033,33 4.296,34 2.868,35 3.031,36 5.026,37 2.925,38 3.736,39 3.996,40 2.788,41 2.869,42 4.782,43 2.775,44 3.539,45 3.736,46 2.743,47 2.851,48 4.592,49 2.787,50 3.596,51 3.822,52 2.564,53 2.768,54 4.699,55 2.668,56 0.055,57 0.448,58 5.805,59 2.391,60 8.432,61 3.11,62 0.23,63 0.649,64 10.7,65 3.768,66 24.51,67 4.936,68 0.301,69 0.669,70 13.778,71 4.794,72 28.072,73 6.285,74 0.223,75 0.623,76 13.35,77 4.531,78 30.814,79 6.18,80 0.293,81 0.541,82 13.793,83 4.126,84 34.718,85 5.994,86 0.276,87 0.431,88 10.023,89 3.189,90 25.765,91 4.772,92 0.11,93 0.404,94 7.093,95 2.605,96 10.57,97 3.593,98 0.133,99 0.404,100 7.893,101 2.556,102 22.108,103 3.696,104 6,105 23,106 0.314,107 0.698,108 0.824,109 0.849,110 0.849,111 0.849,112 2.905,113 0.873,114 -2.14,115 -2.18,116 -2.16,118 40,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,159 1,160 1,161 1,168 4,171 1,172 3,174 1,175 1,177 1,180 4,183 1,185 1,186 4,191 2,194 2,196 2,198 3,203 2,208 2,209 1,210 2,221 1,222 2,224 1,225 1,234 3,247 2,258 1,259 1,261 1,262 1,270 319,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.994,277 11.191,278 7.026,279 11.788,280 8.884,281 8.884,282 8.884,283 8.884,284 8.884,285 6.697,286 10.463,287 3.337,288 9.358,289 3.263,290 1.255,291 0.6,292 0.467,293 0.467,294 0.467,295 3.561,299 1,300 1,301 310,302 2.739,305 53.19,306 59.385,313 1.543,314 15.878,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37.5,326 149,327 4.165,328 3.5,329 5.929,330 3.785,331 2.785,332 3.756,333 0.98,334 8.227,335 2.784,336 3.921,337 2.885,338 5.364,339 3.463,340 2.548,341 3.479,342 0.86,343 7.02,344 2.328,345 3.695,346 2.625,347 5.285,348 3.303,349 2.354,350 3.036,352 6.761,353 2.222,354 2.817,355 2.024,356 3.814,357 2.412,358 1.465,359 1.848,361 3.161,362 1.376,363 2.691,364 1.568,365 3.579,366 2.238,367 1.251,368 1.73,370 2.839,371 1.222,372 2.5,373 1.168,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.144,382 1,383 3.16,384 1.804,385 0.888,386 1.078,388 1.969,389 0.807,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.215,400 0.302,401 2.508,402 0.897,403 -0.033,404 -0.039,406 -0.078,407 -0.03,408 0.699,409 0.06,410 2,411 0.325,412 -0.621,413 -0.757,415 -1.418,416 -0.576,417 0.5,418 -0.354,419 1.891,420 0.043,421 -1,422 -1.316,424 -2,425 -1,426 0.422,427 -1,428 1.58,430 -1,431 -1.5,433 -2.829,434 -1.029,435 0.036,436 -1.015,437 1.023,438 -0.309,439 -1.237,440 -1.516,442 -3,443 -1.156,444 -0.118,445 -1.351,446 1,447 -0.672,448 -1.618,449 -1.886,451 -4.249,452 -1.459,453 -0.379,454 -1.618,455 1,456 -0.706,457 -1.621,458 -2.326,460 -4.372,461 -1.495,462 7.867,463 0.463,464 0.332,465 0.02,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.203,473 0.541,474 18.533,475 0.618,476 14.389,477 0.846,478 4.937,479 0.29,480 3.317,481 0.195,482 0.093,484 0.242,487 0.86,488 1.421,489 0.767,490 1.141,491 0.726,492 0.956,493 1.05,494 0.978,495 0.951,496 0.965,497 0.573,498 0.934,499 1.241,500 0.976,501 1.14,502 1.079,503 1.016,504 1.101,505 1.146,506 1.179,507 1.162,508 1.272,509 1.115,510 1.237,511 1.018,512 0.88,513 0.978,514 0.942,515 0.972,516 0.957,517 0.417,518 0.754,519 0.676,520 0.736,521 0.234,522 0.756,523 0.859,524 1.133,525 0.99,526 1.055,527 0.618,528 1.052,529 0.942,530 1.228,531 1.207,532 1.206,533 1.381,534 1.246,535 3,536 0.046,537 1.556,538 0.597,539 0.387,540 0.406,541 0.168,542 0.078,543 0.079,544 0.087,545 2673,546 8534,547 2.028,548 43.3,550 8,551 1,552 2,553 2,558 1.558,559 1.925,560 3.137,561 0.468,563 1,565 1,567 49.327,568 1.644,569 3.652,570 4.307,571 4.44,572 4.44,573 4.44,574 2.542,575 3.499,576 4.059,577 3.301,578 448.873,579 6.81,580 4269.98,582 1,585 147.207,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.031,592 0.026,593 0.034,594 0.014,595 0.007,596 0.009,597 0.014,598 0.377,599 0.5,600 1,601 0.844,602 72.786,603 -0.096,604 -0.216,605 0.032,606 -0.096,607 -0.105,608 -0.015,609 -0.056,610 0.133,611 -0.061,612 0.021,613 0.109,614 -0.01,615 -0.14,616 -0.02,617 -0.188,618 -0.077,619 -0.086,620 -0.135,621 -0.146,622 -0.254,623 -0.201,624 -0.286,625 -0.114,626 -0.26,627 -0.007,628 -0.033,629 0.058,630 0.008,631 -0.072,632 0.039,633 0.396,634 0.132,635 0.327,636 0.249,637 0.338,638 0.271,639 -0.121,640 -0.103,641 -0.1,642 -0.033,643 -0.053,644 -0.06,645 -0.163,646 -0.234,647 -0.277,648 -0.243,649 -0.271,650 -0.278,651 2.102,652 3.853,653 0.647,654 13.253,655 1.013,656 1.133,657 0.909,658 0.826,659 0.658,660 2.944,661 3.178,662 3.332,663 3.434,664 3.434,665 3.434,666 3.367,667 3.219,668 3.296,669 3.367,670 5.414,671 0.638,672 231.28,673 2.944,674 4.419,675 5.209,676 6.023,677 6.828,678 7.643,679 8.451,680 9.268,681 10.077,682 10.894,683 10,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,711 1,722 1,724 30,726 12,727 1,728 18,730 31,731 12,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 13,773 4,774 2,775 5,778 1,779 3,784 1,785 2,801 1,802 1,832 2,840 17,841 1,846 2,848 1,862 6.7,865 1,867 1,869 8.833,870 5.15,871 3.861,872 1.596,874 1.944,875 1.334,876 0.959,877 3.778,878 7.767,879 3.239,880 3.755,881 4.229,882 4.668,883 4.886,884 4.945,885 5.007,886 4.822,887 5.183,888 5.614,889 0.833,890 19,891 6.213,893 2.514,894 7.941,895 11.603,897 8.882,899 2.441,900 41.5,901 0.001,904 129.482,905 84.45,906 51.582,908 36.145,911 84.45,912 165.627,913 51.582,915 39.595,916 46.952,917 78.796,918 30.375,919 11.771,920 94.169,922 129.482,923 136.032,924 36.145,927 129.482,928 36.145,931 59.16,932 60.086,933 16.786,935 129.482,936 87.727,937 84.45,940 129.482,941 19.832,942 66.518,944 85.828,945 129.482,946 87.727,947 84.45,949 0.565,950 0.313,951 0.15,952 0.066,953 10,954 4,955 0.161,956 5,958 1,959 3.107,960 105.193,962 11,963 65.487,968 11.674,969 5.501,970 3.326,972 85.828,973 12.09,974 3.935,978 1.196,979 1.928,980 32.897,981 301.659,982 24.5,987 10.853,991 -0.435,994 30.378,995 33.99,996 0.335,997 0.744,998 0.878,999 0.905,1000 0.905,1001 0.905,1002 4.404,1003 0.618,1004 5.142,1005 1.969,1006 3.85,1007 4.437,1008 1.481,1009 5.814,1010 3.76,1011 5.569,1012 -0.033,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.12,1020 6.828,1021 -0.621,1022 8.193,1023 -0.078,1024 5.313,1025 6.515,1026 1.37,1027 9.429,1028 5.148,1029 8.125,1030 -1,1031 9.824,1032 -1.418,1033 5.525,1034 6.915,1036 10.897,1037 5.362,1038 9.451,1039 -1,1040 11.492,1041 -2,1042 7.027,1043 8.84,1044 1.275,1045 13.312,1046 6.816,1047 10.796,1048 -1.237,1049 13.183,1050 -2.829,1051 7.623,1052 9.633,1054 15.109,1055 7.421,1056 12.156,1057 -1.618,1058 14.891,1059 -3,1060 8.864,1061 11.281,1062 1.193,1063 17.321,1064 8.631,1065 2.785,1066 -1.621,1067 16.609,1068 -4.249,1069 9.65,1070 12.28,1072 19.267,1073 9.43,1074 2.548,1075 8.227,1076 18.335,1077 -4.372,1078 10.768,1079 13.785,1080 1.123,1081 21.399,1082 10.531,1083 2.354,1084 7.02,1085 20.067,1086 3.756,1087 11.653,1088 14.901,1090 23.417,1091 11.43,1092 1.465,1093 6.761,1094 21.804,1095 3.479,1096 12.711,1097 16.327,1098 1.062,1099 25.52,1100 12.482,1101 1.251,1102 3.161,1103 23.545,1104 3.036,1105 13.649,1106 17.514,1108 27.575,1109 13.435,1110 1,1111 2.839,1112 25.29,1113 1.848,1114 14.679,1115 18.894,1116 1.01,1117 29.669,1118 14.466,1119 0.888,1120 2.275,1121 27.037,1122 1.73,1123 15.648,1124 20.125,1126 31.743,1127 15.449,1128 2684,1129 4870,1130 12.019,1131 19.733,1132 26.324,1133 26.459,1134 26.202,1135 25.828,1136 25.821,1137 34.705,1138 3.68,1139 67.249,1140 24.63,1141 5.036,1142 5.5,1143 5.587,1144 4.868,1145 4.785,1146 6.756,1147 1.96,1148 13.753,1149 4.784,1150 7.125,1151 1.462,1152 1.47,1153 1.456,1154 1.435,1155 1.434,1156 1.928,1157 0.204,1158 3.736,1159 1.368,1160 3.96,1161 4.009,1162 3.901,1163 3.854,1164 7.437,1165 3.858,1166 3.888,1167 3.927,1168 3.832,1169 3.697,1170 4.965,1171 3.726,1172 3.42,1173 3.462,1174 3.34,1175 3.181,1176 4.908,1177 3.206,1178 3.252,1179 3.322,1180 3.109,1181 3.015,1182 4.785,1183 3.034,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.271,1189 2.715,1190 2.708,1191 2.784,1192 2.568,1193 2.432,1194 3.674,1195 2.457,1196 2.498,1197 2.6,1198 2.282,1199 2.305,1200 3.665,1201 2.289,1202 2.398,1203 2.515,1204 2.192,1205 2.076,1206 3.341,1207 2.083,1208 0.231,1209 0.194,1210 0.329,1211 0.21,1212 0.155,1213 4.165,1214 0.209,1215 3.5,1216 0.054,1217 5.929,1218 0.457,1219 3.785,1220 0.155,1221 2.785,1222 3.756,1223 0.98,1224 8.227,1225 2.784,1226 1.897,1227 1.878,1228 1.999,1229 2.007,1230 1.113,1231 2.003,1232 1.629,1233 1.562,1234 1.826,1235 1.865,1236 1.042,1237 1.856,1238 1.311,1239 1.25,1240 1.501,1241 1.548,1242 0.528,1243 1.525,1244 1.216,1245 1.176,1246 1.388,1247 1.524,1248 0.318,1249 1.497,1250 1.051,1251 0.975,1252 1.312,1253 1.346,1254 0.218,1255 1.347,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.183,1261 1.107,1262 0.606,1263 0.521,1264 0.928,1265 0.894,1267 0.909,1268 0.278,1269 0.139,1270 0.813,1271 0.662,1273 0.714,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.78,1281 6.26,1282 9.318,1288 5.138,1290 1.282,1292 5.513,1300 19.128,1301 49.327,1302 109.555,1303 129.207,1304 133.207,1305 133.207,1306 133.207,1307 22.682,1308 5.823,1309 70.14,1310 70.14,1311 11,1312 11.479,1313 3.7,1314 2.907,1315 28.801,1316 55,1317 41,1318 0.257,1319 121.903,1320 204.38,1321 289.203,1322 2157,1324 12.088,1325 0.711,1326 0.544,1327 12.088,1328 9.244,1329 8.254,1330 0.459,1331 0.291,1332 5.137,1333 7.832,1334 5.052,1335 4.195,1336 8.254,1337 5.239,1338 7.106,1339 0.309,1340 0.154,1341 7.106,1342 3.538,1343 5.534,1344 0.205,1345 0.086,1346 5.534,1347 2.316,1348 4.138,1349 0.138,1350 0.047,1351 4.138,1352 1.403,1353 2.64,1354 0.088,1355 0.026,1356 2.64,1357 0.767,1358 0.412,1359 52.411,1360 0.288,1361 17.778,1362 0.67,1363 82,1364 282.074,1365 92.309,1366 268.13,1367 355.98,1368 250,1369 91,1370 251.866,1371 100.896,1372 253.432,1373 360.68,1374 237,1375 7.252} {0 CHEMBL30604,1 1.553,2 10.85,3 1.822,4 3.319,5 75.603,6 7.22,7 0.524,8 3.723,9 3.834,10 3.258,11 3.188,12 4.832,13 3.182,14 4.248,15 4.424,16 3.516,17 3.499,18 5.355,19 3.47,20 4.401,21 4.618,22 3.422,23 3.531,24 5.399,25 3.463,26 4.351,27 4.557,28 3.32,29 3.457,30 5.444,31 3.384,32 4.272,33 4.49,34 3.168,35 3.406,36 5.276,37 3.298,38 4.228,39 4.477,40 3.088,41 3.319,42 5.194,43 3.177,44 4.067,45 4.341,46 2.934,47 3.185,48 4.871,49 3.053,50 3.914,51 4.132,52 2.933,53 3.058,54 4.936,55 2.988,56 0.024,57 0.524,58 8.047,59 3.453,60 5.531,61 4.524,62 0.325,63 0.784,64 15.547,65 5.233,66 27.484,67 7.059,68 0.289,69 0.821,70 18.986,71 6.372,72 29.451,73 8.679,74 0.374,75 0.764,76 18.229,77 5.91,78 41.179,79 7.899,80 0.243,81 0.725,82 16.538,83 5.808,84 35.334,85 7.943,86 0.41,87 0.687,88 16.202,89 5.559,90 34.82,91 8.112,92 0.144,93 0.602,94 13.67,95 4.744,96 16.265,97 7.056,98 0.204,99 0.512,100 11.649,101 3.738,102 22.541,103 5.176,104 8,105 26,106 0.282,107 0.62,108 0.815,109 0.854,110 0.854,111 0.854,112 3.055,113 0.95,114 -3.34,115 -3.32,116 -3.18,118 39.5,119 1,120 1,124 3,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 4,171 2,172 7,180 4,186 6,194 2,197 1,198 7,206 3,218 4,221 3,222 2,229 3,234 2,247 6,259 2,270 536,271 13.767,272 13.767,273 13.767,274 13.767,275 13.767,276 12.331,277 14.478,278 8.633,279 14.284,280 10.343,281 10.343,282 10.343,283 10.343,284 10.343,285 8.171,286 13.28,287 4.034,288 11.039,289 3.695,290 1.834,291 0.757,292 0.546,293 0.546,294 0.546,295 3.718,298 1,299 1,300 1,301 448,302 3.24,305 67.076,306 73.864,313 1.965,314 17.988,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44,326 217,327 4.187,328 3.658,329 6.028,330 3.809,331 2.821,332 3.767,333 1.674,334 8.585,335 2.779,336 3.92,337 2.876,338 5.354,339 3.46,340 2.544,341 3.479,342 0.86,343 7.001,344 2.328,345 3.725,346 2.642,347 5.311,348 3.337,349 2.399,350 3.067,352 6.854,353 2.238,354 2.923,355 2.074,356 4.2,357 2.577,358 1.641,359 1.988,361 3.879,362 1.526,363 2.743,364 1.804,365 3.683,366 2.428,367 1.485,368 1.802,370 3.201,371 1.387,372 2.5,373 1.645,374 3.414,375 2.041,376 1.126,377 1.5,379 2.413,380 1.025,381 2.379,382 1.299,383 3.329,384 2,385 1,386 1.359,388 2.275,389 1,390 2.118,391 1,392 3,393 1.826,394 0.848,395 0.976,397 1.419,398 0.814,399 2.076,400 0.624,401 2.947,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.552,409 0.618,410 2.71,411 1.287,412 0.37,413 0.421,415 0.814,416 0.336,417 0.963,418 0.294,419 2.136,420 0.626,421 -0.323,422 -0.375,424 -0.68,425 -0.302,426 0.661,427 -0.072,428 2,429 0.391,430 -0.595,431 -0.687,433 -0.987,434 -0.574,435 0.5,436 -0.61,437 1.845,438 0.111,439 -0.846,440 -1.044,442 -1.939,443 -0.805,444 0.388,445 -0.845,446 1.333,448 -1,449 -1.5,451 -2.991,452 -1,453 -0.068,454 -1,455 1.233,456 -0.403,457 -1.352,458 -1.591,460 -3,461 -1.269,462 9.3,463 0.465,464 0.294,465 0.015,466 25,467 1.25,468 12,469 0.6,470 13,471 0.65,472 13.224,473 0.661,474 22.5,475 0.592,476 16.087,477 0.804,478 5.148,479 0.257,480 4.645,481 0.232,482 0.09,484 0.204,487 0.796,488 1.555,489 0.793,490 1.324,491 0.599,492 1.099,493 1.089,494 1.004,495 0.989,496 0.982,497 0.656,498 0.957,499 1.211,500 0.95,501 0.993,502 0.983,503 0.845,504 0.952,505 1.429,506 0.918,507 1.178,508 0.997,509 1.632,510 1.038,511 1.12,512 1.089,513 1.139,514 1.152,515 1.531,516 1.158,517 0.431,518 0.987,519 0.912,520 1.055,521 0.359,522 1.079,523 0.52,524 0.977,525 0.756,526 0.951,527 0.44,528 0.905,529 1.285,530 0.97,531 1.042,532 0.9,533 1.249,534 0.922,535 3,536 0.071,537 1.778,538 0.722,539 0.467,540 0.323,541 0.258,542 0.155,543 0.058,544 0.061,545 4358,546 12489,547 2.024,548 47.4,550 10,551 1,552 2,555 3,556 2,558 1.607,559 1.935,560 3.417,561 -0.738,563 1,565 1,567 59.004,568 1.553,569 3.414,570 4.491,571 4.702,572 4.702,573 4.702,574 2.933,575 3.822,576 4.29,577 3.594,578 682.941,579 7.277,580 7553.67,581 1,582 1,584 1,585 199.421,586 1.157,587 4.273,588 0.143,589 0.009,590 0.068,591 0.031,592 0.023,593 0.019,594 0.017,595 0.011,596 0.004,597 0.006,598 0.332,599 0.67,600 1,601 1.197,602 92.414,603 -0.017,604 -0.34,605 0.064,606 -0.198,607 -0.015,608 -0.076,609 0.01,610 0.094,611 -0.029,612 0.013,613 0.093,614 -0.006,615 -0.134,616 0.009,617 -0.01,618 0.003,619 -0.001,620 0.022,621 -0.178,622 0.04,623 -0.175,624 -0.025,625 -0.167,626 -0.089,627 -0.143,628 -0.134,629 -0.18,630 -0.149,631 -0.224,632 -0.17,633 0.361,634 -0.054,635 0.044,636 -0.071,637 0.2,638 -0.077,639 0.065,640 -0.043,641 0.182,642 0.035,643 0.061,644 0.118,645 -0.192,646 0.004,647 -0.055,648 0.071,649 -0.153,650 0.039,651 1.973,652 4.476,653 0.55,654 19.68,655 1.007,656 1.13,657 2.106,658 4.437,659 0.644,660 3.091,661 3.296,662 3.466,663 3.584,664 3.584,665 3.555,666 3.555,667 3.497,668 3.434,669 3.434,670 6.462,671 0.616,672 274.35,673 3.091,674 4.554,675 5.342,676 6.151,677 6.954,678 7.767,679 8.575,680 9.39,681 10.201,682 11.018,683 5.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,715 1,722 1,724 38,726 12,727 1,728 21,730 39,731 15,733 9,734 2,735 4,736 1,739 2,740 2,745 1,751 1,753 10,754 5,756 1,761 1,765 1,768 1,769 1,772 18,773 4,775 5,778 1,779 2,784 1,785 3,801 1,802 1,832 2,836 1,840 20,846 4,848 2,862 7.9,865 1,867 2,869 10.333,870 6.983,871 4.694,872 2.388,874 1.877,875 1.307,876 0.926,877 5.624,878 7.988,879 3.35,880 3.823,881 4.299,882 4.731,883 4.948,884 5.002,885 5.101,886 4.961,887 5.03,888 5.256,889 1,890 23,891 7.361,893 2.925,894 7.8,895 13.978,897 10.589,899 2.3,900 46,901 0.001,904 211.88,905 102.889,906 18.685,908 47.145,911 102.889,912 259.025,913 18.685,914 8.825,915 13.825,916 46.952,917 81.283,918 41.375,919 11.771,920 176.567,922 211.88,923 121.574,924 47.145,927 153.024,928 106,931 42.215,932 62.573,933 16.786,935 211.88,936 65.829,937 102.889,940 211.88,941 29.445,942 75.343,944 63.93,945 211.88,946 65.829,947 102.889,949 0.549,950 0.311,951 0.16,952 0.072,953 10,954 4,955 0.205,956 8,958 1,959 3.454,960 129.38,962 11,963 82.439,968 14.601,969 7.704,970 4.676,972 63.93,973 12.455,974 3.979,978 1.293,979 2.007,981 380.598,982 27.5,987 11.476,991 -0.306,994 38.254,995 42.946,996 0.296,997 0.65,998 0.856,999 0.896,1000 0.896,1001 0.896,1002 4.508,1003 0.848,1004 5.252,1005 2.275,1006 3.97,1007 4.505,1008 2.09,1009 5.916,1010 3.858,1011 5.646,1012 0.618,1013 6.718,1014 1.419,1015 3.219,1016 3.98,1018 6.529,1019 3.088,1020 6.892,1021 0.37,1022 8.284,1023 1.372,1024 5.416,1025 6.553,1026 2.88,1027 9.549,1028 5.21,1029 8.179,1030 -0.323,1031 9.912,1032 0.814,1033 5.565,1034 6.935,1036 11.033,1037 5.347,1038 9.5,1039 -0.595,1040 11.58,1041 -0.68,1042 7.119,1043 8.866,1044 3.826,1045 13.488,1046 6.848,1047 10.843,1048 -0.846,1049 13.275,1050 -0.987,1051 7.689,1052 9.659,1054 15.319,1055 7.411,1056 12.202,1057 -1,1058 14.989,1059 -1.939,1060 8.958,1061 11.305,1062 4.83,1063 17.574,1064 8.643,1065 2.821,1066 -1.352,1067 16.716,1068 -2.991,1069 9.74,1070 12.309,1072 19.562,1073 9.42,1074 2.544,1075 8.585,1076 18.453,1077 -3,1078 10.874,1079 13.811,1080 5.852,1081 21.741,1082 10.53,1083 2.399,1084 7.001,1085 20.198,1086 3.767,1087 11.765,1088 14.933,1090 23.805,1091 11.417,1092 1.641,1093 6.854,1094 21.948,1095 3.479,1096 12.836,1097 16.357,1098 6.88,1099 25.957,1100 12.472,1101 1.485,1102 3.879,1103 23.704,1104 3.067,1105 13.786,1106 17.549,1108 28.059,1109 13.418,1110 1.126,1111 3.201,1112 25.464,1113 1.988,1114 14.827,1115 18.929,1116 7.91,1117 30.202,1118 14.449,1119 1,1120 2.413,1121 27.228,1122 1.802,1123 15.809,1124 20.165,1126 32.325,1127 15.427,1128 4364,1129 7483,1130 14.099,1131 24.466,1132 30.057,1133 30.536,1134 30.428,1135 29.686,1136 29.704,1137 38.574,1138 5.069,1139 75.627,1140 28.02,1141 5.086,1142 5.658,1143 5.798,1144 4.884,1145 4.821,1146 6.767,1147 3.349,1148 14.476,1149 4.779,1150 8.107,1151 1.431,1152 1.454,1153 1.449,1154 1.414,1155 1.414,1156 1.837,1157 0.241,1158 3.601,1159 1.334,1160 3.959,1161 4.011,1162 3.898,1163 3.853,1164 7.433,1165 3.858,1166 3.9,1167 3.932,1168 3.844,1169 3.713,1170 4.956,1171 3.739,1172 3.548,1173 3.592,1174 3.435,1175 3.33,1176 4.832,1177 3.338,1178 3.469,1179 3.538,1180 3.299,1181 3.28,1182 4.468,1183 3.275,1184 3.157,1185 3.174,1186 3.032,1187 2.952,1188 4.275,1189 2.973,1190 2.858,1191 2.932,1192 2.687,1193 2.735,1194 3.817,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.577,1200 3.674,1201 2.585,1202 2.541,1203 2.617,1204 2.372,1205 2.301,1206 3.618,1207 2.31,1208 0.199,1209 0.174,1210 0.287,1211 0.181,1212 0.134,1213 4.187,1214 0.179,1215 3.658,1216 0.08,1217 6.028,1218 0.409,1219 3.809,1220 0.132,1221 2.821,1222 3.767,1223 1.674,1224 8.585,1225 2.779,1226 1.895,1227 1.878,1228 2,1229 2.006,1230 1.219,1231 2.002,1232 1.687,1233 1.621,1234 1.9,1235 1.9,1236 1.067,1237 1.901,1238 1.481,1239 1.419,1240 1.798,1241 1.736,1242 0.934,1243 1.753,1244 1.342,1245 1.282,1246 1.553,1247 1.554,1248 0.681,1249 1.559,1250 1.247,1251 1.177,1252 1.436,1253 1.518,1254 0.412,1255 1.499,1256 1.033,1257 1.014,1258 1.181,1259 1.293,1260 0.218,1261 1.252,1262 0.886,1263 0.821,1264 1.176,1265 1.062,1266 0.216,1267 1.107,1268 0.68,1269 0.598,1270 1.077,1271 1.007,1272 0.159,1273 1.033,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.889,1281 6.26,1282 9.423,1284 1.787,1290 2.777,1292 10.532,1300 23.402,1301 59.004,1302 129.716,1303 170.666,1304 178.666,1305 178.666,1306 178.666,1307 30.367,1308 6.111,1309 53.35,1310 53.35,1311 11,1312 11.602,1313 3.7,1314 2.907,1315 36.889,1316 77,1317 70,1318 0.23,1319 147.882,1320 254.07,1321 352.591,1322 3289,1324 14.209,1325 0.71,1326 0.574,1327 14.209,1328 11.489,1329 9.792,1330 0.466,1331 0.317,1332 6.524,1333 9.264,1334 6.388,1335 5.321,1336 9.792,1337 6.651,1338 7.982,1339 0.307,1340 0.163,1341 7.982,1342 4.247,1343 6.39,1344 0.206,1345 0.089,1346 6.39,1347 2.754,1348 4.902,1349 0.14,1350 0.05,1351 4.902,1352 1.758,1353 3.144,1354 0.09,1355 0.029,1356 3.144,1357 1.008,1358 0.377,1359 62.258,1360 0.266,1361 20.841,1362 0.588,1363 94,1364 328.497,1365 106.935,1366 303.973,1367 405.74,1368 286,1369 104,1370 286.475,1371 116.33,1372 284.688,1373 409.74,1374 267,1375 5.523} {0 CHEMBL30766,1 1.62,2 9.444,3 1.195,4 1.427,5 65.769,6 7.697,7 0.579,8 3.572,9 3.675,10 3.151,11 3.048,12 4.774,13 3.057,14 4.058,15 4.214,16 3.425,17 3.374,18 5.32,19 3.358,20 4.238,21 4.429,22 3.249,23 3.419,24 5.306,25 3.341,26 4.189,27 4.416,28 3.166,29 3.322,30 5.229,31 3.226,32 4.135,33 4.369,34 3.074,35 3.139,36 5.272,37 3.069,38 3.878,39 4.108,40 2.866,41 2.957,42 4.94,43 2.898,44 3.653,45 3.85,46 2.87,47 2.93,48 4.862,49 2.852,50 3.679,51 3.917,52 2.642,53 2.859,54 4.64,55 2.746,56 0.07,57 0.45,58 6.211,59 2.806,60 9.569,61 3.456,62 0.299,63 0.68,64 11.623,65 4.268,66 37.378,67 5.479,68 0.386,69 0.717,70 15.426,71 5.448,72 39.861,73 6.972,74 0.216,75 0.677,76 14.841,77 5.472,78 24.394,79 7.512,80 0.348,81 0.593,82 15.058,83 4.688,84 41.439,85 6.402,86 0.282,87 0.477,88 11.613,89 3.508,90 33.183,91 4.737,92 0.275,93 0.433,94 8.199,95 3.045,96 23.486,97 4.3,98 0.125,99 0.431,100 8.757,101 3.139,102 15.866,103 4.525,104 7,105 24,106 0.305,107 0.688,108 0.837,109 0.86,110 0.86,111 0.86,112 2.957,113 0.889,114 -2.55,115 -2.57,116 -2.51,118 40.6,120 1,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 3,175 1,177 1,180 6,181 1,185 1,186 3,191 1,194 4,195 2,198 3,203 2,207 2,209 1,210 5,215 2,222 2,223 1,233 1,234 3,237 1,247 3,259 1,260 1,270 390,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.585,277 13.884,278 7.54,279 12.468,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 7.156,286 14.287,287 3.632,288 9.929,289 3.38,290 1.349,291 0.563,292 0.438,293 0.438,294 0.438,295 3.616,299 1,300 1,301 352,302 2.915,305 57.653,306 64.052,313 1.778,314 18.285,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 40,326 170,327 4.06,328 3.635,329 5.534,330 3.672,331 2.691,332 3.648,333 2.397,334 7.518,335 2.644,336 3.919,337 2.919,338 5.354,339 3.458,340 2.541,341 3.478,342 0.86,343 7.003,344 2.324,345 3.634,346 2.646,347 5.197,348 3.284,349 2.323,350 2.897,351 0.242,352 6.573,353 2.213,354 3.269,355 2.476,356 4.399,357 2.844,358 1.857,359 2.451,361 4.512,362 1.806,363 2.713,364 1.632,365 3.606,366 2.345,367 1.411,368 1.775,370 3.006,371 1.311,372 2.5,373 1.204,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.172,382 1,383 3.195,384 1.839,385 0.937,386 1.121,388 2.058,389 0.839,390 2.118,391 0.797,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.412,400 0.618,401 2.638,402 1.119,403 0.156,404 0.184,406 0.366,407 0.148,408 0.925,409 0.369,410 2.348,411 0.641,412 -0.303,413 -0.348,415 -0.749,416 -0.281,417 0.572,418 0.03,419 2,420 0.142,421 -0.834,422 -0.979,424 -2,425 -0.768,426 0.5,427 -0.399,428 1.68,430 -1,431 -1.368,433 -2.024,434 -0.985,435 0.289,436 -0.938,437 1.278,438 -0.036,439 -1,440 -1.5,442 -2.857,443 -1,444 0.02,445 -1,446 1,447 -0.341,448 -1.277,449 -1.578,451 -3,452 -1.208,453 -0.118,454 -1.304,455 1,456 -0.702,457 -1.618,458 -1.906,460 -4.277,461 -1.469,462 8.3,463 0.461,464 0.349,465 0.019,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 10.469,473 0.582,474 19.9,475 0.622,476 14.914,477 0.829,478 5.052,479 0.281,480 3.685,481 0.205,482 0.08,484 0.229,487 0.853,488 1.453,489 0.766,490 1.188,491 0.729,492 0.996,493 0.876,494 1.022,495 0.958,496 1.008,497 0.486,498 0.987,499 1.196,500 0.914,501 1.228,502 1.035,503 1.075,504 1.128,505 0.749,506 1.135,507 0.937,508 1.226,509 0.555,510 1.147,511 1.114,512 0.936,513 0.97,514 0.977,515 1.089,516 0.954,517 1.286,518 0.824,519 0.999,520 0.752,521 1.171,522 0.802,523 0.23,524 1.07,525 0.83,526 1.027,527 0.239,528 1.054,529 0.574,530 1.2,531 0.959,532 1.174,533 0.551,534 1.155,535 3.5,536 0.053,537 1.111,538 0.597,539 0.507,540 0.344,541 0.248,542 0.078,543 0.103,544 0.047,545 3184,546 10571,547 2.026,548 43.8,550 8,551 1,552 2,553 1,554 2,558 1.576,559 1.929,560 3.238,561 -0.225,563 1,565 1,567 51.836,568 1.62,569 3.651,570 4.438,571 4.563,572 4.563,573 4.563,574 2.711,575 3.503,576 4.139,577 3.417,578 522.728,579 6.973,580 5251.04,582 1,585 160,586 1.224,587 4.116,588 0.184,589 0.009,590 0.046,591 0.031,592 0.03,593 0.023,594 0.019,595 0.006,596 0.01,597 0.007,598 0.366,599 0.5,600 1,601 1.047,602 79.301,603 -0.085,604 -0.275,605 0.029,606 -0.11,607 -0.077,608 -0.034,609 0.027,610 0.103,611 -0.076,612 -0.017,613 0.172,614 -0.054,615 -0.181,616 0.057,617 -0.281,618 -0.041,619 -0.193,620 -0.162,621 0.007,622 -0.212,623 0.008,624 -0.219,625 0.068,626 -0.123,627 -0.046,628 -0.059,629 0.058,630 -0.03,631 -0.037,632 0.025,633 -0.207,634 0.084,635 0.022,636 0.195,637 -0.156,638 0.166,639 0.459,640 -0.038,641 0.068,642 -0.014,643 0.307,644 -0.052,645 0.008,646 -0.223,647 -0.039,648 -0.182,649 -0.009,650 -0.132,651 2.497,652 3.517,653 0.611,654 15.63,655 1.015,656 1.129,657 1.319,658 1.739,659 0.654,660 2.996,661 3.219,662 3.332,663 3.497,664 3.497,665 3.434,666 3.497,667 3.434,668 3.367,669 3.367,670 5.8,671 0.636,672 246.29,673 2.996,674 4.466,675 5.242,676 6.057,677 6.847,678 7.663,679 8.46,680 9.276,681 10.077,682 10.892,683 6.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 32,726 12,727 1,728 19,730 33,731 13,733 9,734 2,735 4,739 2,740 2,751 1,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,840 18,845 1,846 3,848 1,862 9.4,864 1,865 1,867 1,869 9.333,870 5.517,871 4.083,872 1.75,874 1.93,875 1.325,876 0.916,877 4.367,878 7.863,879 3.277,880 3.778,881 4.184,882 4.668,883 4.886,884 4.844,885 5.051,886 5.173,887 5.22,888 5.538,889 1,890 19,891 6.599,893 2.676,894 8,895 12.328,897 9.476,899 2.5,900 45,901 0.001,904 153.024,905 83.19,906 18.685,908 78.828,911 83.19,912 231.852,913 18.685,915 9.233,916 46.952,917 117.684,918 30.375,919 11.771,920 117.711,922 153.024,923 101.875,924 78.828,927 153.024,928 78.828,931 28.798,932 56.291,933 16.786,935 153.024,936 97.513,937 83.19,940 153.024,941 18.571,942 66.518,944 95.614,945 153.024,946 97.513,947 83.19,949 0.558,950 0.291,951 0.154,952 0.071,953 10,954 4,955 0.182,956 6,958 1,959 3.236,960 112.698,962 11,963 71.059,968 12.647,969 6.215,970 4.188,972 95.614,973 12.43,974 3.939,978 1.508,979 1.929,980 42.683,981 333.727,982 25.5,987 10.517,991 -0.83,994 32.487,995 36.116,996 0.324,997 0.73,998 0.888,999 0.913,1000 0.913,1001 0.913,1002 4.44,1003 0.618,1004 5.165,1005 2.058,1006 3.892,1007 4.46,1008 2.482,1009 5.808,1010 3.795,1011 5.595,1012 0.156,1013 6.613,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.088,1020 6.844,1021 -0.303,1022 8.15,1023 0.366,1024 5.323,1025 6.5,1026 3.768,1027 9.305,1028 5.139,1029 8.125,1030 -0.834,1031 9.737,1032 -0.749,1033 5.442,1034 6.827,1035 4.213,1036 10.621,1037 5.216,1038 9.431,1039 -1,1040 11.355,1041 -2,1042 6.974,1043 8.77,1044 5.355,1045 13.037,1046 6.714,1047 10.755,1048 -1,1049 12.994,1050 -2.024,1051 7.476,1052 9.484,1053 6.05,1054 14.693,1055 7.172,1056 12.091,1057 -1.277,1058 14.646,1059 -2.857,1060 8.74,1061 11.156,1062 7.043,1063 16.879,1064 8.411,1065 2.691,1066 -1.618,1067 16.308,1068 -3,1069 9.445,1070 12.083,1071 7.838,1072 18.699,1073 9.078,1074 2.541,1075 7.518,1076 17.977,1077 -4.277,1078 10.571,1079 13.606,1080 8.766,1081 20.781,1082 10.184,1083 2.323,1084 7.003,1085 19.65,1086 3.648,1087 11.389,1088 14.66,1089 9.604,1090 22.683,1091 10.971,1092 1.857,1093 6.573,1094 21.327,1095 3.478,1096 12.442,1097 16.096,1098 10.503,1099 24.717,1100 12.007,1101 1.411,1102 4.512,1103 23.007,1104 2.897,1105 13.325,1106 17.228,1107 11.361,1108 26.662,1109 12.864,1110 1,1111 3.006,1112 24.689,1113 2.451,1114 14.34,1115 18.61,1116 12.247,1117 28.674,1118 13.864,1119 0.937,1120 2.275,1121 26.373,1122 1.775,1123 15.26,1124 19.792,1125 13.113,1126 30.643,1127 14.764,1128 3196,1129 5901,1130 12.712,1131 20.943,1132 27.437,1133 27.496,1134 27.2,1135 27.08,1136 27.069,1137 35.962,1138 6.999,1139 69.366,1140 25.726,1141 4.933,1142 5.635,1143 5.192,1144 4.756,1145 4.691,1146 6.648,1147 4.03,1148 12.793,1149 4.644,1150 7.558,1151 1.444,1152 1.447,1153 1.432,1154 1.425,1155 1.425,1156 1.893,1157 0.368,1158 3.651,1159 1.354,1160 3.962,1161 4.01,1162 3.898,1163 3.864,1164 7.474,1165 3.865,1166 3.89,1167 3.932,1168 3.829,1169 3.698,1170 6.351,1171 3.726,1172 3.488,1173 3.501,1174 3.417,1175 3.261,1176 4.963,1177 3.289,1178 3.311,1179 3.363,1180 3.169,1181 3.1,1182 4.828,1183 3.104,1184 2.854,1185 2.925,1186 2.733,1187 2.735,1188 4.314,1189 2.715,1190 2.834,1191 2.858,1192 2.687,1193 2.594,1194 3.706,1195 2.631,1196 2.532,1197 2.626,1198 2.318,1199 2.316,1200 3.674,1201 2.301,1202 2.435,1203 2.539,1204 2.23,1205 2.101,1206 3.429,1207 2.117,1208 0.214,1209 0.191,1210 0.291,1211 0.193,1212 0.142,1213 4.06,1214 0.192,1215 3.635,1216 0.126,1217 5.534,1218 0.396,1219 3.672,1220 0.139,1221 2.691,1222 3.648,1223 2.397,1224 7.518,1225 2.644,1226 1.911,1227 1.889,1228 2.024,1229 2.013,1230 1.165,1231 2.016,1232 1.632,1233 1.565,1234 1.83,1235 1.868,1236 1.08,1237 1.86,1238 1.356,1239 1.334,1240 1.541,1241 1.613,1242 0.672,1243 1.578,1244 1.303,1245 1.239,1246 1.493,1247 1.527,1248 0.522,1249 1.518,1250 1.074,1251 1.007,1252 1.321,1253 1.361,1254 0.313,1255 1.354,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.691,1263 0.671,1264 0.912,1265 1.002,1267 0.978,1268 0.315,1269 0.209,1270 0.821,1271 0.728,1273 0.764,1274 3.664,1276 4.905,1277 2.398,1278 6.308,1279 4.443,1280 7.786,1281 6.26,1282 9.306,1289 8.643,1290 1.32,1292 5.543,1300 20.348,1301 51.836,1302 116.839,1303 142,1304 146,1305 146,1306 146,1307 26.813,1308 5.932,1309 64.35,1310 64.35,1311 11,1312 11.48,1313 3.7,1314 2.907,1315 31.385,1316 62,1317 50,1318 0.246,1319 128.697,1320 219.47,1321 305.781,1322 2528,1324 12.795,1325 0.711,1326 0.546,1327 12.795,1328 9.821,1329 8.737,1330 0.46,1331 0.296,1332 5.524,1333 8.276,1334 5.429,1335 4.494,1336 8.737,1337 5.631,1338 7.598,1339 0.317,1340 0.161,1341 7.598,1342 3.863,1343 5.471,1344 0.203,1345 0.091,1346 5.471,1347 2.456,1348 4.417,1349 0.138,1350 0.049,1351 4.417,1352 1.566,1353 2.924,1354 0.091,1355 0.027,1356 2.924,1357 0.879,1358 0.398,1359 55.598,1360 0.28,1361 18.84,1362 0.636,1363 86,1364 308.911,1365 97.496,1366 290.153,1367 379.46,1368 270,1369 94,1370 262.051,1371 104.06,1372 262.336,1373 371.58,1374 245,1375 7.495} {0 CHEMBL30861,1 1.602,2 11.524,3 1.808,4 3.27,5 76.677,6 7.445,7 0.5,8 3.762,9 3.864,10 3.32,11 3.185,12 4.898,13 3.2,14 4.285,15 4.449,16 3.575,17 3.467,18 5.428,19 3.47,20 4.414,21 4.605,22 3.462,23 3.491,24 5.516,25 3.446,26 4.287,27 4.476,28 3.324,29 3.45,30 5.322,31 3.377,32 4.365,33 4.597,34 3.301,35 3.392,36 5.42,37 3.308,38 4.211,39 4.448,40 3.222,41 3.275,42 5.232,43 3.222,44 4.014,45 4.182,46 3.163,47 3.248,48 5.107,49 3.202,50 4.05,51 4.263,52 3.017,53 3.233,54 5.104,55 3.105,56 0.065,57 0.53,58 8.045,59 3.473,60 6.526,61 4.419,62 0.431,63 0.769,64 16.078,65 5.076,66 32.369,67 6.643,68 0.704,69 0.777,70 19.741,71 5.972,72 50.566,73 7.841,74 0.282,75 0.742,76 16.123,77 5.843,78 28.93,79 7.776,80 0.496,81 0.736,82 18.938,83 5.905,84 44.688,85 8.313,86 0.365,87 0.643,88 16.332,89 4.933,90 33.425,91 6.898,92 0.275,93 0.588,94 12.156,95 4.235,96 23.398,97 5.495,98 0.389,99 0.603,100 12.875,101 4.687,102 28.466,103 6.689,104 10,105 27,106 0.289,107 0.61,108 0.793,109 0.821,110 0.84,111 0.858,112 3.1,113 0.92,114 -2.56,115 -2.59,116 -2.52,118 38.5,119 1,124 4,140 4,142 2,143 1,149 1,154 1,156 1,168 2,171 2,172 5,180 2,185 3,186 4,194 2,198 1,209 2,210 7,222 6,234 2,242 2,246 3,247 2,255 2,270 599,271 14.422,272 14.422,273 14.422,274 14.422,275 14.422,276 12.922,277 16.366,278 9.067,279 15.061,280 10.848,281 10.848,282 10.848,283 10.848,284 10.848,285 8.581,286 15.623,287 4.275,288 11.749,289 3.684,290 1.909,291 0.891,292 0.737,293 0.635,294 0.532,295 3.766,298 1,299 1,300 1,301 499,302 3.391,305 71.164,306 78.474,313 2.213,314 20.594,316 1,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 47,326 242,327 4.044,328 3.708,329 5.5,330 3.618,331 2.672,332 3.638,333 2.513,334 7.411,335 2.523,336 3.918,337 2.964,338 5.352,339 3.453,340 2.539,341 3.478,342 0.965,343 6.998,344 2.318,345 3.666,346 2.728,347 5.165,348 3.327,349 2.377,350 2.869,351 0.86,352 6.47,353 2.238,354 3.453,355 2.595,356 4.964,357 3.065,358 2.139,359 2.706,360 0.257,361 5.892,362 1.962,363 2.714,364 1.824,365 3.613,366 2.351,367 1.423,368 1.777,370 3.019,371 1.315,372 2.5,373 1.686,374 3.414,375 2.026,376 1.126,377 1.5,379 2.275,380 1.001,381 2.212,382 1.427,383 3.317,384 2,385 1,386 1.187,388 2.196,389 1,390 2.14,391 1.163,392 3.16,393 1.845,394 0.944,395 1.098,397 1.93,398 0.844,399 2.118,400 1,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.798,409 0.618,410 2.739,411 1.474,412 0.559,413 0.643,415 1.09,416 0.501,417 1.191,418 0.452,419 2.457,420 0.888,421 -0.029,422 -0.034,424 -0.067,425 -0.027,426 0.73,427 0.218,428 2,429 0.418,430 -0.5,431 -0.547,433 -0.853,434 -0.452,435 0.647,436 -0.118,437 1.934,438 0.359,439 -0.626,440 -0.766,442 -1.292,443 -0.6,444 0.5,445 -0.489,446 1.634,448 -1,449 -1.298,451 -2.703,452 -1,453 0.156,454 -0.844,455 1.309,456 -0.119,457 -1.083,458 -1.5,460 -2.924,461 -1.01,462 9.633,463 0.459,464 0.311,465 0.015,466 26.5,467 1.262,468 12.5,469 0.595,470 14,471 0.667,472 13.562,473 0.646,474 23.967,475 0.615,476 17.577,477 0.837,478 5.632,479 0.268,480 4.643,481 0.221,482 0.087,484 0.197,487 0.838,488 1.63,489 0.763,490 1.398,491 0.632,492 1.115,493 1.22,494 1.031,495 0.998,496 0.994,497 0.75,498 0.939,499 1.295,500 0.772,501 1.131,502 0.837,503 1.115,504 0.933,505 1.026,506 1.237,507 1.121,508 1.307,509 1.127,510 1.254,511 0.917,512 0.946,513 0.941,514 0.987,515 1.12,516 0.978,517 1.131,518 0.813,519 0.85,520 0.755,521 1.101,522 0.74,523 1.276,524 1.087,525 1.178,526 1.048,527 1.25,528 1.087,529 0.366,530 1.147,531 1.046,532 1.231,533 0.432,534 1.296,535 3.5,536 0.02,537 1.556,538 0.472,539 0.507,540 0.427,541 0.208,542 0.149,543 0.136,544 0.082,545 5053,546 15496,547 2.023,548 46.2,550 12,551 1,552 2,555 3,558 1.621,559 1.938,560 3.499,561 -0.704,562 1,563 1,565 1,567 62.469,568 1.602,569 3.376,570 4.394,571 4.548,572 4.651,573 4.753,574 2.951,575 4.011,576 4.358,577 3.685,578 773.839,579 7.418,580 8998.04,581 1,582 1,584 1,585 206.131,586 1.125,587 4.345,588 0.159,589 0.002,590 0.058,591 0.021,592 0.025,593 0.022,594 0.011,595 0.008,596 0.01,597 0.008,598 0.324,599 0.5,600 1,601 1.578,602 99.245,603 -0.04,604 -0.402,605 0.07,606 -0.257,607 -0.032,608 -0.099,609 -0.074,610 0.054,611 -0.033,612 -0.012,613 0.043,614 -0.007,615 -0.024,616 0.179,617 -0.117,618 0.126,619 -0.051,620 0.006,621 -0.123,622 -0.233,623 -0.194,624 -0.268,625 -0.13,626 -0.252,627 0.067,628 -0.033,629 0.052,630 -0.021,631 0.009,632 0.006,633 -0.126,634 0.103,635 0.153,636 0.204,637 -0.024,638 0.241,639 -0.259,640 -0.03,641 -0.246,642 -0.013,643 -0.232,644 -0.111,645 0.323,646 -0.125,647 -0.143,648 -0.196,649 0.142,650 -0.273,651 2.043,652 4.158,653 0.524,654 22.644,655 1.015,656 1.132,657 1.334,658 1.781,659 0.639,660 3.135,661 3.332,662 3.466,663 3.584,664 3.611,665 3.584,666 3.611,667 3.664,668 3.714,669 3.664,670 6.846,671 0.618,672 290.35,673 3.135,674 4.595,675 5.371,676 6.172,677 6.961,678 7.766,679 8.562,680 9.368,681 10.168,682 10.975,683 5.1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 2,724 39,726 12,727 1,728 22,730 40,731 15,733 9,734 2,735 4,739 2,740 2,745 1,753 10,754 5,756 1,761 1,765 1,768 1,769 1,772 18,773 5,775 6,778 1,779 2,784 1,785 4,801 1,802 1,819 1,832 2,836 1,840 21,846 4,848 3,862 10.3,865 1,867 3,869 10.833,870 7.15,871 4.917,872 2.325,874 1.892,875 1.304,876 0.916,877 6.25,878 8.106,879 3.384,880 3.845,881 4.257,882 4.677,883 4.901,884 4.875,885 5.012,886 5.27,887 5.564,888 5.703,889 0.875,890 23,891 7.715,893 3.045,894 7.857,895 14.513,897 10.805,899 2.357,900 49.5,904 211.88,905 107.005,906 18.685,908 58.145,911 107.005,912 270.024,913 18.685,914 8.825,915 15.883,916 46.952,917 81.283,918 54.433,919 11.771,920 176.567,922 211.88,923 125.689,924 58.145,927 176.567,928 93.458,931 44.273,932 64.631,933 16.786,935 211.88,936 76.829,937 107.005,940 211.88,941 33.561,942 75.343,944 74.93,945 211.88,946 76.829,947 107.005,949 0.548,950 0.299,951 0.15,952 0.068,953 10,954 4,955 0.225,956 9,958 1,959 3.584,960 136.899,962 11,963 88.239,968 15.543,969 8.444,970 5.575,972 74.93,973 12.474,974 3.96,978 1.351,979 1.941,981 395.714,982 28.5,987 11.158,991 -0.377,994 39.582,995 44.156,996 0.303,997 0.639,998 0.831,999 0.861,1000 0.88,1001 0.899,1002 4.541,1003 0.944,1004 5.273,1005 2.196,1006 4.007,1007 4.527,1008 2.719,1009 5.9,1010 3.86,1011 5.67,1012 0.618,1013 6.713,1014 1.93,1015 3.219,1016 3.98,1017 2.243,1018 6.389,1019 3.032,1020 6.907,1021 0.559,1022 8.242,1023 1.372,1024 5.425,1025 6.538,1026 4.032,1027 9.366,1028 5.134,1029 8.179,1030 -0.029,1031 9.824,1032 1.09,1033 5.485,1034 6.849,1035 4.378,1036 10.672,1037 5.138,1038 9.481,1039 -0.5,1040 11.438,1041 -0.067,1042 7.06,1043 8.793,1044 5.676,1045 13.061,1046 6.638,1047 10.8,1048 -0.626,1049 13.072,1050 -0.853,1051 7.522,1052 9.499,1053 6.347,1054 14.703,1055 7.03,1056 12.133,1057 -1,1058 14.719,1059 -1.292,1060 8.805,1061 11.165,1062 7.439,1063 16.864,1064 8.255,1065 2.672,1066 -1.083,1067 16.375,1068 -2.703,1069 9.48,1070 12.085,1071 8.245,1072 18.666,1073 8.852,1074 2.539,1075 7.411,1076 18.037,1077 -2.924,1078 10.613,1079 13.604,1080 9.246,1081 20.725,1082 9.937,1083 2.377,1084 6.998,1085 19.703,1086 3.638,1087 11.407,1088 14.651,1089 10.113,1090 22.609,1091 10.651,1092 2.139,1093 6.47,1094 21.372,1095 3.478,1096 12.46,1097 16.084,1098 11.073,1099 24.624,1100 11.66,1101 1.423,1102 5.892,1103 23.044,1104 2.869,1105 13.323,1106 17.21,1107 11.968,1108 26.551,1109 12.444,1110 1.126,1111 3.019,1112 24.717,1113 2.706,1114 14.335,1115 18.59,1116 12.908,1117 28.546,1118 13.411,1119 1,1120 2.275,1121 26.392,1122 1.777,1123 15.238,1124 19.767,1125 13.816,1126 30.497,1127 14.239,1128 5068,1129 8976,1130 14.792,1131 24.921,1132 31.22,1133 31.688,1134 31.361,1135 30.79,1136 30.794,1137 39.648,1138 9.191,1139 77.306,1140 28.554,1141 4.932,1142 5.708,1143 5.274,1144 4.716,1145 4.672,1146 6.638,1147 4.281,1148 12.686,1149 4.523,1150 8.535,1151 1.419,1152 1.44,1153 1.426,1154 1.4,1155 1.4,1156 1.802,1157 0.418,1158 3.514,1159 1.298,1160 3.953,1161 4.006,1162 3.891,1163 3.824,1164 7.432,1165 3.832,1166 3.876,1167 3.908,1168 3.82,1169 3.695,1170 4.968,1171 3.722,1172 3.622,1173 3.644,1174 3.534,1175 3.364,1176 4.89,1177 3.394,1178 3.378,1179 3.433,1180 3.228,1181 3.158,1182 4.543,1183 3.163,1184 3.303,1185 3.367,1186 3.116,1187 3.101,1188 4.429,1189 3.097,1190 2.872,1191 2.925,1192 2.787,1193 2.735,1194 4.06,1195 2.715,1196 2.854,1197 2.888,1198 2.687,1199 2.669,1200 3.674,1201 2.691,1202 2.578,1203 2.658,1204 2.384,1205 2.317,1206 3.649,1207 2.303,1208 0.184,1209 0.169,1210 0.25,1211 0.164,1212 0.121,1213 4.044,1214 0.165,1215 3.708,1216 0.114,1217 5.5,1218 0.337,1219 3.618,1220 0.115,1221 2.672,1222 3.638,1223 2.513,1224 7.411,1225 2.523,1226 1.87,1227 1.853,1228 1.979,1229 1.995,1230 1.107,1231 1.988,1232 1.627,1233 1.561,1234 1.825,1235 1.864,1236 1.023,1237 1.853,1238 1.521,1239 1.48,1240 1.809,1241 1.79,1242 0.942,1243 1.787,1244 1.313,1245 1.256,1246 1.548,1247 1.564,1248 0.7,1249 1.565,1250 1.297,1251 1.237,1252 1.498,1253 1.527,1254 0.527,1255 1.519,1256 1.09,1257 1.025,1258 1.327,1259 1.371,1260 0.315,1261 1.366,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.746,1269 0.718,1270 1.007,1271 1.014,1272 0.112,1273 0.992,1274 3.807,1276 5.03,1277 2.398,1278 6.422,1279 4.443,1280 7.888,1281 6.26,1282 9.395,1284 1.758,1290 1.557,1292 15.679,1300 24.116,1301 62.469,1302 131.671,1303 171.376,1304 177.376,1305 181.376,1306 185.376,1307 31.347,1308 6.215,1309 62.58,1310 62.58,1311 11,1312 11.568,1313 3.7,1314 2.907,1315 39.742,1316 87,1317 81,1318 0.223,1319 151.878,1320 262.86,1321 362.342,1322 3807,1324 14.916,1325 0.71,1326 0.567,1327 14.916,1328 11.897,1329 10.275,1330 0.467,1331 0.307,1332 6.587,1333 9.614,1334 6.459,1335 5.358,1336 10.275,1337 6.747,1338 8.439,1339 0.313,1340 0.156,1341 8.439,1342 4.214,1343 6.515,1344 0.21,1345 0.086,1346 6.515,1347 2.663,1348 4.96,1349 0.142,1350 0.048,1351 4.96,1352 1.665,1353 3.28,1354 0.091,1355 0.025,1356 3.28,1357 0.896,1358 0.367,1359 66.066,1360 0.26,1361 21.855,1362 0.567,1363 98,1364 376.232,1365 114.478,1366 341.349,1367 452.38,1368 322,1369 107,1370 315.93,1371 122.596,1372 310.408,1373 445.3,1374 291,1375 6.215} {0 CHEMBL31409,1 1.659,2 12.412,3 5.47,4 29.92,5 133.395,6 8.181,7 0.486,8 4.197,9 4.29,10 3.958,11 3.831,12 5.268,13 3.774,14 4.754,15 4.898,16 4.28,17 4.247,18 6.028,19 4.165,20 5.052,21 5.23,22 4.36,23 4.441,24 6.103,25 4.322,26 5.177,27 5.375,28 4.305,29 4.47,30 6.213,31 4.334,32 5.226,33 5.443,34 4.349,35 4.483,36 6.226,37 4.35,38 5.252,39 5.478,40 4.394,41 4.48,42 6.322,43 4.356,44 5.273,45 5.517,46 4.261,47 4.425,48 6.281,49 4.291,50 5.156,51 5.39,52 4.204,53 4.318,54 6.191,55 4.18,56 0.107,57 0.835,58 13.973,59 6.237,60 22.589,61 7.336,62 0.416,63 1.385,64 24.202,65 10.813,66 81.484,67 13.446,68 0.371,69 1.812,70 39.008,71 15.275,72 73.853,73 18.387,74 0.504,75 2.023,76 47.391,77 17.451,78 95.585,79 20.882,80 0.523,81 2.068,82 48.329,83 17.974,84 104.057,85 22.353,86 0.562,87 2.099,88 47.444,89 18.147,90 102.499,91 23.606,92 0.617,93 2.127,94 49.297,95 17.959,96 116.337,97 23.06,98 0.648,99 1.91,100 48.672,101 16.383,102 118.537,103 19.855,104 40,105 53,106 0.265,107 0.583,108 0.785,109 0.879,110 0.879,111 0.879,112 3.561,113 1.063,114 -4.78,115 -4.7,116 -4.41,118 42.6,119 1,120 6,126 1,140 7,141 6,142 2,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,177 3,180 26,181 1,186 7,191 5,194 29,195 1,198 10,203 5,206 22,207 2,210 8,215 4,218 20,219 4,222 13,227 8,229 17,230 4,234 11,239 7,242 14,243 1,247 9,252 2,253 1,255 13,256 1,259 8,260 1,262 2,263 1,264 2,267 13,268 1,270 2212,271 22.402,272 22.402,273 22.402,274 22.402,275 22.402,276 19.6,277 21.726,278 13.126,279 22.78,280 18.271,281 18.271,282 18.271,283 18.271,284 18.271,285 14.018,286 21.239,287 6.295,288 18.949,289 4.272,290 2.29,291 1.023,292 0.439,293 0.439,294 0.439,295 4.252,297 1,300 1,301 899,302 4.183,306 420.252,310 159.704,313 1.824,314 45.914,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 73.333,326 422,327 4.852,328 4.686,329 7.308,330 4.317,331 3.395,332 4.7,333 2.341,334 12.509,335 3.223,336 4.564,337 3.605,338 6.79,339 4.21,340 3.214,341 4.281,342 0.68,343 11.146,344 3.081,345 3.948,346 3.434,347 5.96,348 3.636,349 2.644,350 3.467,352 8.356,353 2.623,354 3.841,355 2.942,356 5.553,357 3.463,358 2.482,359 3.396,361 7.399,362 2.438,363 3.731,364 2.898,365 5.31,366 3.307,367 2.384,368 3.088,370 6.606,371 2.217,372 3.567,373 2.695,374 5.177,375 3.233,376 2.232,377 2.782,379 6.309,380 2.176,381 3.405,382 2.344,383 5.05,384 3.081,385 2.099,386 2.628,388 5.998,389 2.043,390 3.192,391 2.21,392 4.644,393 2.934,394 1.949,395 2.343,397 5.098,398 1.901,399 3.017,400 1.705,401 4.615,402 2.508,403 1.559,404 2.122,406 4.551,407 1.414,408 2.88,409 1.651,410 4.047,411 2.422,412 1.455,413 2.039,415 3.295,416 1.403,417 2.5,418 1.532,419 3.647,420 2.176,421 1.178,422 1.5,424 2.944,425 1.173,426 2.5,427 1.227,428 3.463,429 2,430 1,431 1.5,433 2.275,434 1,435 2.263,436 1,437 3.414,438 1.956,439 1,440 1.245,442 2.136,443 0.954,444 1.961,445 1,446 3.247,447 1.793,448 0.792,449 0.88,451 1.91,452 0.789,453 1.46,454 0.807,455 3.23,456 1.274,457 0.285,458 0.319,460 0.715,461 0.28,462 16.681,463 0.491,464 1.033,465 0.03,466 43,467 1.265,468 22.5,469 0.662,470 20.5,471 0.603,472 34.413,473 1.012,474 36.719,475 0.602,476 34.571,477 1.017,478 8.05,479 0.237,480 8.175,481 0.24,482 0.153,483 0.05,484 0.3,487 0.568,488 1.159,489 0.726,490 1.08,491 0.662,492 0.91,493 0.449,494 1.046,495 0.747,496 0.941,497 0.424,498 0.954,499 0.887,500 1.1,501 1.056,502 1.091,503 0.828,504 1.082,505 0.976,506 1.108,507 1.129,508 1.17,509 0.958,510 1.131,511 0.87,512 1.024,513 0.745,514 0.949,515 0.987,516 1.019,517 0.587,518 1.068,519 0.675,520 0.994,521 0.645,522 1.016,523 0.955,524 0.942,525 0.73,526 0.841,527 0.955,528 0.933,529 1.16,530 0.952,531 0.986,532 0.936,533 1.13,534 0.937,535 8.5,536 0.301,537 4.222,538 2.688,539 2.262,540 1.528,541 1.013,542 0.682,543 0.586,544 0.364,545 15867,546 50117,547 2.035,548 44.3,549 9,550 8,552 2,553 2,554 2,555 4,558 1.765,559 1.88,560 3.574,561 0.177,567 101.182,568 1.659,569 3.641,570 4.908,571 5.492,572 5.492,573 5.492,574 3.033,575 4.242,576 5.055,577 3.746,578 2101.4,579 8.896,580 31920.6,585 361.775,586 1.611,587 4.999,588 0.23,589 0.008,590 0.08,591 0.049,592 0.044,593 0.029,594 0.018,595 0.014,596 0.013,597 0.009,598 0.494,599 0.17,600 0.88,601 1.04,602 181.195,603 0.04,604 -0.014,605 0.125,606 -0.002,607 -0.099,608 0.055,609 0.26,610 0.034,611 0.05,612 0.034,613 0.269,614 0.005,615 -0.104,616 -0.06,617 -0.111,618 -0.065,619 -0.061,620 -0.096,621 -0.124,622 -0.083,623 -0.176,624 -0.132,625 -0.073,626 -0.14,627 -0.054,628 -0.053,629 0.034,630 -0.002,631 -0.076,632 -0.029,633 0.149,634 -0.119,635 0.117,636 -0.075,637 0.106,638 -0.014,639 -0.06,640 0.01,641 0.062,642 0.059,643 -0.068,644 0.051,645 -0.136,646 0.04,647 -0.02,648 0.056,649 -0.133,650 0.046,651 4.589,652 5.904,653 0.647,654 39.003,655 1.007,656 1.116,657 3.555,658 12.637,659 0.692,660 3.638,661 3.989,662 4.22,663 4.477,664 4.754,665 4.875,666 5.004,667 5.182,668 5.333,669 5.384,670 7.319,671 0.652,672 499.07,673 3.638,674 5.198,675 6.043,676 6.932,677 7.8,678 8.697,679 9.576,680 10.477,681 11.363,682 12.268,683 3.3,685 1,693 1,699 9,700 1,704 8,706 18,723 1,724 61,726 21,727 2,728 37,730 64,731 26,733 17,734 7,735 5,739 4,740 5,741 1,745 1,748 4,751 7,753 18,754 8,756 3,760 1,761 3,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,836 1,837 1,840 34,844 1,845 1,846 6,847 1,850 1,861 1,862 6.6,864 1,865 3,869 18.083,870 11.043,871 7.319,872 3.677,874 2.909,875 1.365,876 0.975,877 7.492,878 10.885,879 3.912,880 4.538,881 5.009,882 5.526,883 6.057,884 6.268,885 6.525,886 6.838,887 7.207,888 7.477,889 1,890 55,891 12.888,893 5.819,894 7.937,895 24.097,897 20.486,899 2.437,900 82.861,904 294.278,905 139.343,906 33.191,907 39.149,908 112.141,910 5.807,911 133.536,912 445.567,913 33.191,914 8.825,915 15.207,916 88.546,917 153.379,918 42.26,920 270.735,921 39.149,922 294.278,923 166.726,924 112.141,925 44.956,927 247.193,928 159.226,931 58.532,932 91.408,933 61.742,935 294.278,936 145.332,937 178.492,939 5.807,940 294.278,941 40.282,942 93.254,943 16.405,944 168.075,945 294.278,946 145.332,947 178.492,949 0.59,950 0.327,951 0.169,952 0.1,953 25,954 12,955 0.125,956 8,957 1,958 1.091,959 4.343,960 321.885,961 0.091,962 22,963 166.974,967 1,968 24.562,969 10.371,970 5.937,972 145.332,973 15.773,974 4.204,978 7.304,980 59.088,981 618.101,982 49,986 -3.672,987 37.107,991 -0.824,994 61.4,995 68.096,996 0.28,997 0.614,998 0.827,999 0.926,1000 0.926,1001 0.926,1002 5.168,1003 1.949,1004 6.066,1005 5.998,1006 4.673,1007 5.226,1008 2.35,1009 6.913,1010 4.607,1011 6.406,1012 1.559,1013 7.655,1014 5.098,1015 4.443,1016 5.293,1017 2.243,1018 8.065,1019 4.295,1020 7.753,1021 1.455,1022 9.355,1023 4.551,1024 6.34,1025 7.502,1026 3.64,1027 11.117,1028 6.201,1029 9.138,1030 1.178,1031 11.124,1032 3.295,1033 6.899,1034 8.369,1035 4.112,1036 13.108,1037 6.671,1038 10.558,1039 1,1040 12.941,1041 2.944,1042 8.333,1043 10.135,1044 5.203,1045 15.766,1046 8.102,1047 12.005,1048 1,1049 14.791,1050 2.275,1051 9.246,1052 11.357,1053 5.889,1054 18.078,1055 8.931,1056 13.473,1057 0.792,1058 16.668,1059 2.136,1060 10.516,1061 12.969,1062 6.849,1063 20.623,1064 10.18,1065 3.395,1066 0.285,1067 18.564,1068 1.91,1069 11.591,1070 14.353,1071 7.625,1072 23.055,1073 11.182,1074 3.214,1075 12.509,1076 20.476,1077 0.715,1078 12.807,1079 15.908,1080 8.526,1081 25.569,1082 12.362,1083 2.644,1084 11.146,1085 22.401,1086 4.7,1087 13.953,1088 17.369,1089 9.342,1090 28.046,1091 13.443,1092 2.482,1093 8.356,1094 24.336,1095 4.281,1096 15.154,1097 18.905,1098 10.216,1099 30.553,1100 14.6,1101 2.384,1102 7.399,1103 26.278,1104 3.467,1105 16.332,1106 20.402,1107 11.051,1108 33.049,1109 15.719,1110 2.232,1111 6.606,1112 28.227,1113 3.396,1114 17.532,1115 21.932,1116 11.912,1117 35.557,1118 16.869,1119 2.099,1120 6.309,1121 30.182,1122 3.088,1123 18.725,1124 23.447,1125 12.755,1126 38.062,1127 18.006,1128 15320,1129 27424,1130 24.156,1131 42.233,1132 55.634,1133 57.649,1134 57.165,1135 55.595,1136 55.337,1137 72.58,1138 6.042,1139 162.494,1140 53.431,1141 5.8,1142 6.686,1143 7.11,1144 5.372,1145 5.395,1146 7.7,1147 3.925,1148 20.057,1149 5.223,1150 19.157,1151 1.504,1152 1.558,1153 1.545,1154 1.503,1155 1.496,1156 1.962,1157 0.163,1158 4.392,1159 1.444,1160 4.12,1161 4.129,1162 4.737,1163 4.09,1164 7.717,1165 4.042,1166 4.015,1167 4.008,1168 4.008,1169 3.992,1170 7.474,1171 3.944,1172 3.851,1173 3.892,1174 3.925,1175 3.758,1176 6.999,1177 3.758,1178 3.691,1179 3.723,1180 3.781,1181 3.6,1182 6.351,1183 3.562,1184 3.583,1185 3.595,1186 3.522,1187 3.452,1188 4.932,1189 3.418,1190 3.494,1191 3.506,1192 3.423,1193 3.373,1194 4.899,1195 3.359,1196 3.197,1197 3.256,1198 3.159,1199 3.041,1200 4.671,1201 3.037,1202 3.064,1203 3.129,1204 3.069,1205 2.93,1206 4.268,1207 2.912,1208 0.131,1209 0.127,1210 0.198,1211 0.117,1212 0.092,1213 4.852,1214 0.127,1215 4.686,1216 0.063,1217 7.308,1218 0.338,1219 4.317,1220 0.087,1221 3.395,1222 4.7,1223 2.341,1224 12.509,1225 3.223,1226 2.056,1227 2.036,1228 2.159,1229 2.129,1230 1.489,1231 2.147,1232 1.948,1233 1.956,1234 1.973,1235 2.009,1236 1.227,1237 2.046,1238 1.835,1239 1.798,1240 1.949,1241 1.952,1242 1.134,1243 1.96,1244 1.654,1245 1.614,1246 1.852,1247 1.815,1248 1.095,1249 1.83,1250 1.507,1251 1.476,1252 1.721,1253 1.701,1254 0.882,1255 1.705,1256 1.389,1257 1.407,1258 1.516,1259 1.537,1260 0.762,1261 1.585,1262 1.197,1263 1.134,1264 1.431,1265 1.401,1266 0.617,1267 1.442,1268 1.079,1269 1.013,1270 1.342,1271 1.28,1272 0.571,1273 1.327,1274 4.317,1276 5.659,1278 7.192,1280 8.815,1282 10.489,1284 2.054,1285 5.9,1289 9.276,1290 3.131,1291 2.85,1294 -0.241,1300 39.765,1301 101.182,1302 222.084,1303 299.369,1304 335.02,1305 335.02,1306 335.02,1307 87.557,1308 7.976,1309 96.36,1310 104.74,1311 24,1312 12.791,1313 4.459,1314 3.7,1315 56.615,1316 146,1317 168,1318 0.185,1319 250.361,1320 440.7,1321 602.641,1322 31960,1323 1.6,1324 24.294,1325 0.715,1326 0.603,1327 25.044,1328 20.494,1329 16.225,1330 0.439,1331 0.354,1332 11.313,1333 14.757,1334 10.85,1335 8.94,1336 17.335,1337 13.105,1338 15.482,1339 0.292,1340 0.205,1341 17.191,1342 10.874,1343 12.098,1344 0.181,1345 0.122,1346 13.491,1347 8.184,1348 9.865,1349 0.113,1350 0.07,1351 11.053,1352 6.074,1353 8.233,1354 0.072,1355 0.041,1356 9.343,1357 4.719,1358 0.289,1359 111.773,1360 0.203,1361 31.279,1362 0.515,1363 180,1364 528.398,1365 244.244,1366 564.481,1367 743.22,1368 518,1369 210,1370 480.464,1371 274.977,1372 535.854,1373 773.76,1374 502,1375 6.071} {0 CHEMBL316848,1 1.519,2 9.045,3 3.839,4 14.739,5 83.924,6 7.484,7 0.522,8 3.754,9 3.862,10 3.3,11 3.337,12 4.951,13 3.305,14 4.241,15 4.399,16 3.582,17 3.679,18 5.485,19 3.614,20 4.52,21 4.741,22 3.603,23 3.78,24 5.611,25 3.689,26 4.49,27 4.71,28 3.575,29 3.748,30 5.597,31 3.659,32 4.506,33 4.713,34 3.616,35 3.785,36 5.632,37 3.698,38 4.597,39 4.825,40 3.565,41 3.78,42 5.761,43 3.674,44 4.522,45 4.781,46 3.327,47 3.65,48 5.533,49 3.51,50 4.343,51 4.614,52 3.122,53 3.421,54 5.34,55 3.281,56 0.035,57 0.578,58 7.697,59 3.957,60 11.24,61 4.817,62 0.162,63 0.914,64 13.745,65 6.379,66 39.62,67 8.141,68 0.244,69 1.149,70 20.707,71 8.364,72 54.924,73 10.765,74 0.244,75 1.148,76 20.118,77 8.128,78 53.711,79 10.327,80 0.23,81 1.183,82 19.973,83 8.195,84 52.446,85 10.346,86 0.384,87 1.316,88 22.923,89 8.629,90 71.209,91 11.01,92 0.277,93 1.138,94 21.775,95 8.155,96 56.099,97 10.872,98 0.227,99 0.909,100 18.581,101 6.814,102 47.152,103 9.181,104 16,105 29,106 0.271,107 0.609,108 0.772,109 0.877,110 0.912,111 0.912,112 3.146,113 0.946,114 -4.54,115 -4.47,116 -4.2,118 45,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 14,181 1,186 3,191 1,194 14,195 1,198 3,203 1,206 14,207 1,210 3,215 1,218 13,219 1,222 4,227 1,229 11,230 1,234 3,239 1,242 7,243 2,247 3,252 2,255 4,256 2,259 2,260 1,264 2,267 1,268 3,270 800,271 14.864,272 14.864,273 14.864,274 14.864,275 14.864,276 12.943,277 7.195,278 9.35,279 14.985,280 11.382,281 11.382,282 11.382,283 11.382,284 11.382,285 8.644,286 2.555,287 4.469,288 11.589,289 3.803,290 1.901,291 0.988,292 0.4,293 0.2,294 0.2,295 3.81,298 1,299 1,300 1,301 408,302 3.536,306 161.691,313 1.231,314 26.614,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48,326 199,327 4.449,328 3.596,329 6.656,330 4.078,331 3.089,332 4.063,333 2.341,334 10.673,335 3.054,336 3.896,337 3.236,338 5.671,339 3.444,340 2.473,341 3.47,343 7.423,344 2.395,345 3.55,346 2.697,347 4.66,348 3.24,349 2.234,350 2.712,352 5.184,353 2.222,354 3.336,355 2.053,356 4.575,357 2.844,358 1.868,359 2.64,361 4.608,362 1.821,363 2.865,364 1.793,365 3.913,366 2.558,367 1.566,368 2.024,370 3.365,371 1.549,372 2.766,373 1.578,374 3.636,375 2.382,376 1.414,377 1.875,379 3.08,380 1.357,381 2.732,382 1.313,383 3.588,384 2.282,385 1.304,386 1.757,388 2.911,389 1.271,390 2.5,391 1.303,392 3.367,393 1.999,394 1,395 1.5,397 2.273,398 0.995,399 2.394,400 1,401 3.247,402 1.955,403 1,404 1.298,406 2.136,407 0.953,408 1.677,409 0.748,410 2.84,411 1.48,412 0.486,413 0.561,415 1.086,416 0.48,417 1.133,418 0.511,419 2.317,420 0.821,421 -0.144,422 -0.166,424 -0.313,425 -0.134,426 0.868,427 0.245,428 2.192,429 0.546,430 -0.397,431 -0.467,433 -0.884,434 -0.37,435 0.648,436 -0.02,437 2,438 0.19,439 -0.783,440 -1.036,442 -1.758,443 -0.752,444 0.571,445 -0.703,446 1.632,447 0.112,448 -0.895,449 -1.124,451 -2,452 -0.872,453 0.5,454 -0.761,455 1.555,456 -0.017,457 -1,458 -1.39,460 -2.115,461 -0.973,462 10.352,463 0.471,464 0.404,465 0.018,466 27.75,467 1.261,468 15,469 0.682,470 12.75,471 0.58,472 16.029,473 0.729,474 23.848,475 0.596,476 19.5,477 0.886,478 5.648,479 0.257,480 5.033,481 0.229,482 0.092,484 0.241,486 1,487 0.637,488 0.982,489 0.781,490 1.015,491 0.62,492 0.952,493 0.502,494 1.053,495 0.888,496 1.135,497 0.47,498 1.105,499 0.872,500 0.971,501 0.914,502 0.94,503 0.883,504 0.942,505 0.952,506 1.045,507 0.961,508 0.972,509 0.945,510 0.972,511 0.958,512 1.124,513 1.024,514 1.061,515 0.957,516 1.06,517 1.085,518 1.104,519 1.158,520 1.065,521 1.068,522 1.112,523 0.878,524 1.032,525 1.074,526 1.045,527 0.847,528 1.085,529 0.852,530 0.953,531 0.98,532 1.006,533 0.85,534 1.01,535 3,536 0.074,537 2,538 1.313,539 0.813,540 0.417,541 0.262,542 0.194,543 0.164,544 0.171,545 4623,546 15159,547 1.995,548 45,549 6,550 7,552 2,553 1,554 2,558 1.649,559 1.886,560 3.127,561 -0.354,563 1,565 1,567 60.76,568 1.519,569 3.421,570 4.334,571 4.922,572 5.122,573 5.122,574 2.465,575 3.971,576 4.424,577 3.334,578 770.189,579 7.625,580 8753.67,582 1,583 1,584 1,585 212.877,586 1.293,587 4.398,588 0.13,589 0.006,590 0.069,591 0.045,592 0.029,593 0.014,594 0.01,595 0.01,596 0.01,597 0.011,598 0.336,599 0.67,600 1,601 1.811,602 101.722,603 -0.042,604 -0.005,605 0.003,606 0.038,607 -0.044,608 0.03,609 0.119,610 -0.098,611 -0.049,612 -0.115,613 0.138,614 -0.118,615 -0.055,616 -0.025,617 0.028,618 0.055,619 -0.051,620 0.056,621 -0.071,622 -0.027,623 -0.01,624 0.028,625 -0.067,626 0.022,627 -0.084,628 -0.091,629 -0.089,630 -0.061,631 -0.093,632 -0.076,633 -0.074,634 0.006,635 -0.178,636 -0.088,637 -0.09,638 -0.144,639 -0.065,640 -0.046,641 -0.098,642 -0.078,643 -0.069,644 -0.089,645 -0.025,646 -0.003,647 0.016,648 -0.043,649 -0.047,650 -0.005,651 2.453,652 6.068,653 0.545,654 18.545,655 1.006,656 1.125,657 3.312,658 10.967,659 0.668,660 3.178,661 3.401,662 3.584,663 3.784,664 3.951,665 3.85,666 3.892,667 3.912,668 3.85,669 3.638,670 5.665,671 0.639,672 299.37,673 3.178,674 4.654,675 5.451,676 6.282,677 7.107,678 7.951,679 8.79,680 9.641,681 10.489,682 11.343,683 2.5,693 1,699 8,700 1,704 3,706 12,723 1,724 40,726 14,727 1,728 23,730 41,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,770 1,772 18,773 4,774 1,775 4,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,838 1,840 22,845 1,846 4,861 1,862 5,864 1,865 1,869 11.667,870 6.96,871 5.083,872 2.462,874 2.122,875 1.343,876 0.931,877 5.995,878 8.314,879 3.466,880 3.97,881 4.46,882 4.98,883 5.47,884 5.496,885 5.834,886 6.087,887 6.255,888 6.308,889 0.833,890 29,891 8.136,893 3.358,894 8.061,895 15.22,897 11.948,899 2.561,900 56.333,904 200.109,905 114.154,906 16.786,908 67.828,909 14.96,911 114.154,912 267.937,913 31.746,915 10.138,916 66.334,917 109.066,918 36.773,919 14.96,920 176.567,922 200.109,923 130.94,924 82.788,927 215.069,928 67.828,931 28.233,932 76.445,933 26.262,935 215.069,936 84.614,937 114.154,940 200.109,941 29.726,942 84.429,944 99.574,945 200.109,946 99.574,947 114.154,949 0.553,950 0.303,951 0.165,952 0.091,953 11,954 5,955 0.171,956 7,958 1,959 3.444,960 156.79,962 12,963 98.107,968 16.066,969 8.209,970 4.887,972 99.574,973 13.719,974 4.087,978 1.114,980 42.683,981 413.837,982 31,987 10.511,989 1.956,991 0.007,994 40.222,995 44.994,996 0.285,997 0.643,998 0.814,999 0.925,1000 0.962,1001 0.962,1002 4.635,1003 1,1004 5.38,1005 2.911,1006 4.078,1007 4.654,1008 2.258,1009 6.103,1010 4.042,1011 5.801,1012 1,1013 6.878,1014 2.273,1015 3.434,1016 4.182,1017 2.243,1018 6.917,1019 3.366,1020 7.065,1021 0.486,1022 8.492,1023 2.136,1024 5.557,1025 6.736,1026 3.628,1027 10.042,1028 5.496,1029 8.37,1030 -0.144,1031 10.183,1032 1.086,1033 5.802,1034 7.124,1035 4.112,1036 11.817,1037 5.713,1038 9.711,1039 -0.397,1040 11.926,1041 -0.313,1042 7.356,1043 9.12,1044 5.201,1045 14.446,1046 7.27,1047 11.08,1048 -0.783,1049 13.708,1050 -0.884,1051 8.051,1052 9.951,1053 5.889,1054 16.581,1055 7.945,1056 12.471,1057 -0.895,1058 15.517,1059 -1.758,1060 9.351,1061 11.671,1062 6.849,1063 19.045,1064 9.243,1065 3.089,1066 -1,1067 17.346,1068 -2,1069 10.272,1070 12.747,1071 7.625,1072 21.319,1073 10.148,1074 2.473,1075 10.673,1076 19.19,1077 -2.115,1078 11.464,1079 14.318,1080 8.526,1081 23.723,1082 11.334,1083 2.234,1084 7.423,1085 21.045,1086 4.063,1087 12.493,1088 15.532,1089 9.342,1090 26.052,1091 12.351,1092 1.868,1093 5.184,1094 22.907,1095 3.47,1096 13.64,1097 17.022,1098 10.216,1099 28.434,1100 13.49,1101 1.566,1102 4.608,1103 24.776,1104 2.712,1105 14.721,1106 18.315,1107 11.051,1108 30.785,1109 14.559,1110 1.414,1111 3.365,1112 26.65,1113 2.64,1114 15.852,1115 19.762,1116 11.912,1117 33.158,1118 15.681,1119 1.304,1120 3.08,1121 28.527,1122 2.024,1123 16.957,1124 21.1,1125 12.755,1126 35.518,1127 16.775,1128 4736,1129 8649,1130 15.197,1131 26.705,1132 33.372,1133 33.793,1134 33.871,1135 32.963,1136 32.87,1137 43.799,1138 4.682,1139 85.478,1140 32.194,1141 5.307,1142 5.596,1143 6.458,1144 5.114,1145 5.089,1146 7.063,1147 3.925,1148 17.74,1149 5.054,1150 10.429,1151 1.451,1152 1.469,1153 1.473,1154 1.433,1155 1.429,1156 1.904,1157 0.204,1158 3.716,1159 1.4,1160 4.002,1161 4.029,1162 3.955,1163 3.941,1164 8.201,1165 3.94,1166 3.794,1167 3.833,1168 3.732,1169 3.704,1170 7.474,1171 3.705,1172 3.725,1173 3.775,1174 3.599,1175 3.586,1176 6.351,1177 3.578,1178 3.46,1179 3.494,1180 3.357,1181 3.301,1182 4.915,1183 3.305,1184 3.15,1185 3.185,1186 3.036,1187 2.972,1188 4.649,1189 2.981,1190 2.9,1191 2.958,1192 2.824,1193 2.733,1194 4.249,1195 2.735,1196 2.824,1197 2.888,1198 2.641,1199 2.631,1200 3.923,1201 2.622,1202 2.769,1203 2.848,1204 2.62,1205 2.589,1206 3.793,1207 2.595,1208 0.193,1209 0.156,1210 0.289,1211 0.177,1212 0.134,1213 4.449,1214 0.177,1215 3.596,1216 0.102,1217 6.656,1218 0.464,1219 4.078,1220 0.133,1221 3.089,1222 4.063,1223 2.341,1224 10.673,1225 3.054,1226 1.97,1227 1.947,1228 2.07,1229 2.051,1230 1.325,1231 2.057,1232 1.78,1233 1.746,1234 1.949,1235 1.896,1236 1.14,1237 1.912,1238 1.717,1239 1.665,1240 1.897,1241 1.886,1242 0.936,1243 1.895,1244 1.42,1245 1.379,1246 1.643,1247 1.623,1248 0.834,1249 1.623,1250 1.102,1251 1.064,1252 1.325,1253 1.32,1254 0.462,1255 1.316,1256 0.861,1257 0.805,1258 1.127,1259 1.069,1260 0.217,1261 1.084,1262 0.791,1263 0.73,1264 1.092,1265 1.063,1266 0.163,1267 1.07,1268 0.745,1269 0.689,1270 1.011,1271 0.985,1272 0.067,1273 1.004,1274 3.85,1276 5.094,1278 6.535,1280 8.074,1282 9.669,1286 14.068,1289 8.641,1290 2.232,1300 25.576,1301 60.76,1302 136.838,1303 173.367,1304 196.877,1305 204.877,1306 204.877,1307 50.598,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.9,1313 3.907,1314 3.17,1315 42.036,1316 68,1317 86,1318 0.282,1319 161.212,1320 286.97,1321 385.116,1322 3097,1323 2.5,1324 15.786,1325 0.718,1326 0.555,1327 14.916,1328 12.205,1329 10.682,1330 0.464,1331 0.315,1332 7.183,1333 10.346,1334 7.049,1335 5.877,1336 10.271,1337 7.255,1338 9.019,1339 0.311,1340 0.172,1341 8.492,1342 4.979,1343 6.802,1344 0.194,1345 0.095,1346 6.33,1347 3.33,1348 5.452,1349 0.127,1350 0.052,1351 5.09,1352 2.252,1353 4.314,1354 0.085,1355 0.029,1356 4.034,1357 1.493,1358 0.437,1359 66.61,1360 0.257,1361 21.837,1362 0.788,1363 104,1364 373.641,1365 113.647,1366 337.402,1367 437.6,1368 312,1369 116,1370 299.113,1371 123.649,1372 298.655,1373 427.26,1374 281,1375 7.155} {0 CHEMBL317322,1 1.442,2 9.091,3 2.79,4 7.781,5 85.464,6 7.253,7 0.522,8 3.778,9 3.887,10 3.302,11 3.349,12 4.95,13 3.311,14 4.264,15 4.42,16 3.572,17 3.705,18 5.48,19 3.632,20 4.553,21 4.775,22 3.554,23 3.812,24 5.578,25 3.703,26 4.506,27 4.728,28 3.519,29 3.779,30 5.507,31 3.666,32 4.521,33 4.731,34 3.561,35 3.814,36 5.546,37 3.705,38 4.614,39 4.844,40 3.532,41 3.82,42 5.643,43 3.696,44 4.591,45 4.842,46 3.365,47 3.707,48 5.591,49 3.563,50 4.414,51 4.678,52 3.175,53 3.476,54 5.422,55 3.335,56 0.073,57 0.529,58 8.341,59 3.981,60 10,61 5.076,62 0.143,63 0.833,64 14.453,65 6.511,66 36.735,67 8.587,68 0.218,69 1.035,70 21.427,71 8.535,72 52.01,73 11.462,74 0.176,75 0.997,76 20.243,77 8.224,78 42.6,79 11.13,80 0.162,81 1.028,82 20.208,83 8.296,84 41.088,85 11.176,86 0.205,87 1.116,88 22.808,89 8.763,90 46.125,91 12.025,92 0.241,93 1.056,94 23.07,95 8.473,96 53.208,97 11.739,98 0.196,99 0.861,100 19.67,101 7.077,102 44.614,103 9.853,104 16,105 29,106 0.254,107 0.58,108 0.733,109 0.835,110 0.876,111 0.876,112 3.146,113 0.956,114 -2.24,115 -2.28,116 -2.25,118 43.9,120 4,133 1,134 1,140 7,141 2,143 2,154 1,162 1,163 1,167 1,168 15,169 1,172 3,175 1,177 1,180 17,181 1,186 5,191 1,194 17,195 1,198 5,203 1,206 16,207 1,210 6,215 1,218 15,219 1,222 7,227 1,229 12,230 1,234 6,239 1,242 8,243 2,247 5,252 2,255 4,256 3,259 4,260 1,264 3,267 1,268 3,270 808,271 14.811,272 14.811,273 14.811,274 14.811,275 14.811,276 12.813,277 6.982,278 9.313,279 14.903,280 11.398,281 11.398,282 11.398,283 11.398,284 11.398,285 8.498,286 2.393,287 4.478,288 11.527,289 3.915,290 2.07,291 1.199,292 0.622,293 0.39,294 0.39,295 3.81,298 1,299 1,300 1,301 410,302 3.536,306 162.572,313 1.281,314 21.535,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 47.5,326 200,327 4.403,328 3.596,329 6.506,330 4.019,331 3.023,332 4.096,333 2.341,334 10.213,335 3.012,336 3.999,337 3.205,338 5.373,339 3.418,340 2.45,341 3.677,343 6.875,344 2.373,345 3.551,346 2.937,347 4.846,348 3.24,349 2.235,350 2.965,352 5.402,353 2.222,354 3.526,355 2.179,356 4.659,357 2.992,358 2.012,359 2.71,361 5.183,362 1.967,363 3.055,364 1.94,365 4.098,366 2.654,367 1.658,368 2.249,370 3.745,371 1.647,372 2.757,373 1.551,374 3.635,375 2.452,376 1.455,377 1.814,379 3.113,380 1.449,381 2.666,382 1.307,383 3.485,384 2.181,385 1.189,386 1.718,388 2.615,389 1.178,390 2.5,391 1.218,392 3.372,393 2,394 1,395 1.5,397 2.282,398 1,399 2.392,400 1,401 3.247,402 1.998,403 1,404 1.293,406 2.136,407 0.995,408 1.652,409 0.73,410 2.837,411 1.446,412 0.447,413 0.521,415 1.027,416 0.445,417 1.293,418 0.433,419 2.311,420 0.742,421 -0.26,422 -0.285,424 -0.581,425 -0.258,426 0.951,427 0.336,428 2.192,429 0.585,430 -0.412,431 -0.667,433 -0.92,434 -0.411,435 0.702,436 0.026,437 2,438 0.252,439 -0.73,440 -0.998,442 -1.714,443 -0.712,444 0.575,445 -0.703,446 1.607,447 0.115,448 -0.885,449 -1.073,451 -2,452 -0.855,453 0.5,454 -0.716,455 1.555,457 -1,458 -1.389,460 -2.192,461 -0.98,462 10.4,463 0.473,464 0.421,465 0.019,466 28.75,467 1.307,468 16,469 0.727,470 12.75,471 0.58,472 15.393,473 0.7,474 23.8,475 0.58,476 19.915,477 0.905,478 5.718,479 0.26,480 4.947,481 0.225,482 0.096,484 0.231,487 0.582,488 1.08,489 0.819,490 1.008,491 0.618,492 0.966,493 0.482,494 1.164,495 0.933,496 1.162,497 0.424,498 1.126,499 0.87,500 0.934,501 0.966,502 0.943,503 0.896,504 0.969,505 0.749,506 0.975,507 0.94,508 0.984,509 0.752,510 0.994,511 0.762,512 1.086,513 1.004,514 1.072,515 0.761,516 1.079,517 0.821,518 1.092,519 1.055,520 1.084,521 0.752,522 1.1,523 0.893,524 1.02,525 1.056,526 1.036,527 0.892,528 1.063,529 0.891,530 0.965,531 0.952,532 0.99,533 0.925,534 0.979,535 3.5,536 0.108,537 1.778,538 1.188,539 0.653,540 0.417,541 0.322,542 0.189,543 0.209,544 0.131,545 4687,546 14694,547 1.995,548 46.3,549 6,550 8,552 2,553 1,554 2,558 1.648,559 1.886,560 3.154,561 -0.354,562 1,563 1,565 1,567 59.135,568 1.442,569 3.288,570 4.158,571 4.735,572 4.967,573 4.967,574 2.478,575 4.005,576 4.425,577 3.356,578 775.133,579 7.623,580 8865.75,581 1,582 1,584 1,585 219.66,586 1.293,587 4.398,588 0.152,589 0.01,590 0.061,591 0.042,592 0.024,593 0.015,594 0.012,595 0.009,596 0.012,597 0.009,598 0.347,599 0.5,600 1,601 1.811,602 102.007,603 0.078,604 0.052,605 0.017,606 0.058,607 -0.032,608 0.025,609 0.145,610 -0.094,611 -0.067,612 -0.122,613 0.175,614 -0.127,615 -0.078,616 0.042,617 -0.023,618 0.058,619 -0.081,620 0.031,621 -0.043,622 0.006,623 -0.009,624 0.022,625 -0.048,626 0.013,627 -0.057,628 -0.086,629 -0.084,630 -0.064,631 -0.07,632 -0.078,633 -0.066,634 -0.094,635 -0.11,636 -0.106,637 -0.036,638 -0.113,639 -0.069,640 -0.056,641 -0.081,642 -0.074,643 -0.064,644 -0.077,645 -0.022,646 -0.029,647 0.044,648 -0.036,649 -0.036,650 0.01,651 2.428,652 4.501,653 0.545,654 18.975,655 1.001,656 1.119,657 1.013,658 1.027,659 0.664,660 3.178,661 3.401,662 3.555,663 3.761,664 3.932,665 3.871,666 3.912,667 3.932,668 3.85,669 3.664,670 5.742,671 0.632,672 297.38,673 3.178,674 4.654,675 5.442,676 6.271,677 7.086,678 7.926,679 8.755,680 9.602,681 10.438,682 11.289,683 2.4,694 1,699 9,704 2,706 12,724 41,726 15,727 1,728 23,730 42,731 18,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 4,756 3,761 2,763 1,765 2,768 1,769 1,772 19,773 3,774 1,775 4,779 1,784 1,785 3,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 22,845 1,846 4,862 7.3,864 1,865 1,868 1,869 11.667,870 7.067,871 5.056,872 2.508,874 2.209,875 1.357,876 0.927,877 6.019,878 8.401,879 3.497,880 4.025,881 4.494,882 5.026,883 5.536,884 5.641,885 5.942,886 6.192,887 6.358,888 6.487,889 0.833,890 28,891 8.102,893 3.305,894 7.985,895 15.307,897 12.025,899 2.485,900 54.667,903 1,904 211.88,905 114.51,906 3.172,908 93.202,911 114.51,912 305.082,913 3.172,914 3.172,915 10.138,916 75.81,917 92.28,918 27.652,920 188.338,921 25.373,922 211.88,923 117.682,924 93.202,927 211.88,928 67.828,929 25.373,931 28.233,932 76.8,933 12.648,935 211.88,936 96.374,937 114.51,940 211.88,941 20.605,942 97.077,944 93.202,945 211.88,946 96.374,947 114.51,949 0.554,950 0.295,951 0.16,952 0.089,953 11,954 5,955 0.167,956 7,958 1,959 3.464,960 155.678,962 12,963 94.107,968 16.091,969 8.229,970 5.215,972 93.202,973 16.524,978 1.911,980 42.683,981 422.763,982 32,987 22.025,989 2.076,991 0.24,994 41.036,995 45.863,996 0.269,997 0.614,998 0.776,999 0.884,1000 0.927,1001 0.927,1002 4.663,1003 1,1004 5.371,1005 2.615,1006 4.078,1007 4.71,1008 2.258,1009 6.071,1010 4.056,1011 5.839,1012 1,1013 6.853,1014 2.282,1015 3.434,1016 4.369,1017 2.243,1018 6.804,1019 3.388,1020 7.111,1021 0.447,1022 8.444,1023 2.136,1024 5.541,1025 6.847,1026 3.628,1027 9.904,1028 5.499,1029 8.421,1030 -0.26,1031 10.105,1032 1.027,1033 5.74,1034 7.332,1035 4.112,1036 11.589,1037 5.683,1038 9.763,1039 -0.412,1040 11.816,1041 -0.581,1042 7.296,1043 9.269,1044 5.201,1045 14.192,1046 7.24,1047 11.128,1048 -0.73,1049 13.565,1050 -0.92,1051 7.933,1052 10.166,1053 5.889,1054 16.262,1055 7.871,1056 12.513,1057 -0.885,1058 15.341,1059 -1.714,1060 9.233,1061 11.845,1062 6.849,1063 18.691,1064 9.17,1065 3.023,1066 -1,1067 17.139,1068 -2,1069 10.102,1070 12.963,1071 7.625,1072 20.914,1073 10.038,1074 2.45,1075 10.213,1076 18.953,1077 -2.192,1078 11.285,1079 14.509,1080 8.526,1081 23.279,1082 11.219,1083 2.235,1084 6.875,1085 20.78,1086 4.096,1087 12.272,1088 15.75,1089 9.342,1090 25.562,1091 12.208,1092 2.012,1093 5.402,1094 22.616,1095 3.677,1096 13.405,1097 17.225,1098 10.216,1099 27.902,1100 13.338,1101 1.658,1102 5.183,1103 24.46,1104 2.965,1105 14.452,1106 18.536,1107 11.051,1108 30.209,1109 14.386,1110 1.455,1111 3.745,1112 26.31,1113 2.71,1114 15.564,1115 19.974,1116 11.912,1117 32.539,1118 15.496,1119 1.189,1120 3.113,1121 28.165,1122 2.249,1123 16.64,1124 21.323,1125 12.755,1126 34.856,1127 16.572,1128 4797,1129 8574,1130 15.197,1131 27.222,1132 33.175,1133 33.958,1134 33.681,1135 32.975,1136 32.935,1137 45.088,1138 4.682,1139 85.18,1140 32.574,1141 5.261,1142 5.596,1143 6.308,1144 5.055,1145 5.023,1146 7.096,1147 3.925,1148 17.001,1149 5.012,1150 10.554,1151 1.442,1152 1.476,1153 1.464,1154 1.434,1155 1.432,1156 1.96,1157 0.204,1158 3.703,1159 1.416,1160 4.057,1161 4.091,1162 4.011,1163 3.96,1164 7.475,1165 3.963,1166 3.867,1167 3.903,1168 3.802,1169 3.749,1170 7.47,1171 3.757,1172 3.731,1173 3.78,1174 3.604,1175 3.594,1176 6.351,1177 3.586,1178 3.479,1179 3.512,1180 3.386,1181 3.316,1182 4.801,1183 3.324,1184 3.191,1185 3.223,1186 3.094,1187 2.983,1188 4.598,1189 2.999,1190 3.023,1191 3.074,1192 2.912,1193 2.759,1194 4.212,1195 2.796,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.901,1201 2.715,1202 2.822,1203 2.884,1204 2.633,1205 2.597,1206 3.674,1207 2.598,1208 0.191,1209 0.156,1210 0.283,1211 0.175,1212 0.131,1213 4.403,1214 0.178,1215 3.596,1216 0.102,1217 6.506,1218 0.444,1219 4.019,1220 0.131,1221 3.023,1222 4.096,1223 2.341,1224 10.213,1225 3.012,1226 1.998,1227 1.972,1228 2.098,1229 2.138,1230 1.327,1231 2.115,1232 1.835,1233 1.799,1234 1.958,1235 1.969,1236 1.162,1237 1.973,1238 1.726,1239 1.673,1240 1.954,1241 1.891,1242 0.989,1243 1.914,1244 1.434,1245 1.394,1246 1.65,1247 1.636,1248 0.851,1249 1.635,1250 1.116,1251 1.079,1252 1.331,1253 1.358,1254 0.473,1255 1.339,1256 0.925,1257 0.866,1258 1.181,1259 1.217,1260 0.218,1261 1.202,1262 0.886,1263 0.821,1264 1.15,1265 1.063,1266 0.217,1267 1.107,1268 0.775,1269 0.72,1270 1.085,1271 1.062,1272 0.135,1273 1.076,1274 3.85,1276 5.094,1278 6.526,1280 8.052,1282 9.63,1289 8.656,1290 2.447,1300 25.907,1301 59.135,1302 134.789,1303 170.498,1304 194.15,1305 203.66,1306 203.66,1307 44.756,1308 6.192,1309 62.76,1310 62.76,1311 12,1312 11.85,1313 4,1314 3.322,1315 42.048,1316 69,1317 86,1318 0.277,1319 164.01,1320 289.69,1321 391.944,1322 3097,1324 15.786,1325 0.718,1326 0.56,1327 15.786,1328 12.313,1329 10.665,1330 0.464,1331 0.319,1332 7.267,1333 10.338,1334 7.124,1335 5.955,1336 10.665,1337 7.332,1338 9.126,1339 0.315,1340 0.175,1341 9.126,1342 5.076,1343 6.657,1344 0.196,1345 0.099,1346 6.657,1347 3.364,1348 5.398,1349 0.129,1350 0.055,1351 5.398,1352 2.301,1353 4.234,1354 0.085,1355 0.031,1356 4.234,1357 1.529,1358 0.431,1359 66.417,1360 0.257,1361 21.895,1362 0.77,1363 104,1364 327.266,1365 112.28,1366 317.299,1367 414.96,1368 292,1369 115,1370 291.758,1371 121.816,1372 293.836,1373 415.28,1374 276,1375 5} {0 CHEMBL317387,1 1.519,2 9.045,3 4.382,4 19.202,5 91.33,6 9.007,7 0.522,8 3.747,9 3.851,10 3.472,11 3.386,12 4.887,13 3.329,14 4.233,15 4.387,16 3.83,17 3.748,18 5.402,19 3.648,20 4.507,21 4.723,22 3.958,23 3.883,24 5.474,25 3.74,26 4.475,27 4.685,28 3.947,29 3.867,30 5.436,31 3.716,32 4.49,33 4.688,34 3.975,35 3.899,36 5.48,37 3.753,38 4.577,39 4.792,40 3.972,41 3.906,42 5.57,43 3.734,44 4.507,45 4.757,46 3.671,47 3.76,48 5.388,49 3.562,50 4.328,51 4.591,52 3.369,53 3.515,54 5.22,55 3.323,56 0.022,57 0.487,58 6.319,59 3.795,60 8.243,61 4.786,62 0.144,63 0.787,64 12.989,65 6.433,66 35.045,67 8.316,68 0.179,69 0.988,70 26.867,71 9.23,72 37.997,73 11.566,74 0.163,75 0.954,76 29.461,77 9.185,78 33.46,79 11.365,80 0.151,81 0.98,82 28.457,83 9.176,84 32.996,85 11.326,86 0.223,87 1.064,88 39.387,89 10.086,90 40.737,91 12.376,92 0.176,93 0.997,94 34.306,95 9.499,96 33.426,97 12.063,98 0.133,99 0.819,100 30.659,101 8.022,102 24.568,103 10.227,104 16,105 29,106 0.271,107 0.609,108 0.772,109 0.877,110 0.912,111 0.912,112 3.146,113 1.05,114 -4.77,115 -4.68,116 -4.4,117 1,118 45,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 16,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 17,207 1,210 3,215 1,218 15,219 1,222 5,227 1,229 13,230 1,234 3,239 1,242 8,243 2,247 3,252 2,255 5,256 2,259 2,260 1,264 2,267 1,268 4,270 800,271 14.864,272 14.864,273 14.864,274 14.864,275 14.864,276 12.943,277 7.211,278 9.35,279 15.066,280 11.382,281 11.382,282 11.382,283 11.382,284 11.382,285 8.644,286 2.568,287 4.469,288 11.762,289 3.803,290 1.901,291 0.988,292 0.4,293 0.2,294 0.2,295 3.81,299 1,300 1,301 408,302 3.536,306 161.691,313 1.231,314 17.158,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.25,326 199,327 4.449,328 3.596,329 6.656,330 4.068,331 3.089,332 4.063,333 2.341,334 10.673,335 3.02,336 3.896,337 3.23,338 5.671,339 3.42,340 2.473,341 3.47,343 7.423,344 2.313,345 3.55,346 2.691,347 4.66,348 3.24,349 2.234,350 2.712,352 5.184,353 2.222,354 3.336,355 2.052,356 4.575,357 2.836,358 1.868,359 2.64,361 4.608,362 1.798,363 2.865,364 1.79,365 3.913,366 2.556,367 1.566,368 2.024,370 3.365,371 1.544,372 2.766,373 1.577,374 3.636,375 2.349,376 1.414,377 1.875,379 3.08,380 1.301,381 2.732,382 1.313,383 3.588,384 2.273,385 1.304,386 1.757,388 2.911,389 1.18,390 2.5,391 1.303,392 3.367,393 1.999,394 1,395 1.5,397 2.273,398 0.995,399 2.394,400 1,401 3.247,402 1.955,403 1,404 1.298,406 2.136,407 0.953,408 1.677,409 0.748,410 2.84,411 1.475,412 0.486,413 0.561,415 1.086,416 0.47,417 1.133,418 0.509,419 2.317,420 0.793,421 -0.144,422 -0.166,424 -0.313,425 -0.1,426 0.868,427 0.24,428 2.192,429 0.479,430 -0.397,431 -0.467,433 -0.884,434 -0.317,435 0.648,436 -0.021,437 2,438 0.177,439 -0.783,440 -1.036,442 -1.758,443 -0.726,444 0.571,445 -0.703,446 1.632,447 0.107,448 -0.895,449 -1.124,451 -2,452 -0.864,453 0.5,454 -0.761,455 1.555,456 -0.017,457 -1,458 -1.39,460 -2.115,461 -0.973,462 11.4,463 0.518,464 0.404,465 0.018,466 27.5,467 1.25,468 15,469 0.682,470 12.5,471 0.568,472 18.536,473 0.843,474 22.8,475 0.57,476 16.992,477 0.772,478 5.246,479 0.238,480 5.435,481 0.247,482 0.175,484 0.219,487 0.722,488 1.06,489 0.51,490 0.812,491 0.702,492 0.875,493 0.461,494 1.094,495 0.603,496 0.909,497 0.408,498 1.015,499 0.856,500 0.889,501 0.854,502 0.84,503 0.88,504 0.901,505 0.821,506 0.932,507 1.088,508 0.955,509 0.791,510 0.967,511 0.838,512 1.048,513 1.093,514 1.023,515 0.812,516 1.048,517 0.883,518 1.113,519 1.411,520 1.215,521 0.778,522 1.169,523 0.714,524 1.035,525 1.12,526 1.085,527 0.62,528 1.106,529 0.687,530 1.013,531 1.091,532 1.1,533 0.627,534 1.059,535 3,536 0.074,537 2,538 1.313,539 0.813,540 0.417,541 0.262,542 0.194,543 0.164,544 0.171,545 4623,546 15159,547 1.995,548 45,549 6,550 7,552 2,553 1,554 2,558 1.649,559 1.886,560 3.127,561 -0.354,563 1,567 60.76,568 1.519,569 3.421,570 4.334,571 4.922,572 5.122,573 5.122,574 2.465,575 3.971,576 4.424,577 3.334,578 770.189,579 7.625,580 8753.67,582 1,584 1,585 212.877,586 1.293,587 4.398,588 0.13,589 0.006,590 0.069,591 0.045,592 0.029,593 0.014,594 0.01,595 0.01,596 0.01,597 0.011,598 0.336,599 0.5,600 1,601 1.811,602 101.722,603 -0.054,605 -0.003,606 0.032,607 -0.051,608 0.027,609 0.182,610 -0.057,611 0.012,612 -0.035,613 0.214,614 -0.084,615 -0.069,616 0.08,617 0.025,618 0.122,619 -0.079,620 0.085,621 -0.068,622 0.036,623 -0.019,624 0.056,625 -0.071,626 0.032,627 -0.085,628 -0.064,629 -0.043,630 -0.024,631 -0.1,632 -0.063,633 -0.083,634 -0.124,635 -0.109,636 -0.158,637 -0.076,638 -0.17,639 -0.049,640 -0.06,641 -0.068,642 -0.086,643 -0.046,644 -0.097,645 0.021,646 -0.06,647 -0.065,648 -0.103,649 0.015,650 -0.041,651 2.401,652 3.554,653 0.545,654 18.545,655 0.998,656 1.112,657 3.541,658 12.542,659 0.703,660 3.178,661 3.401,662 3.584,663 3.784,664 3.951,665 3.85,666 3.892,667 3.912,668 3.85,669 3.638,670 5.665,671 0.655,672 360.27,673 3.178,674 4.654,675 5.451,676 6.282,677 7.107,678 7.951,679 8.79,680 9.641,681 10.489,682 11.343,683 2.5,693 1,699 8,700 1,704 3,706 12,723 1,724 40,726 14,727 1,728 23,729 1,730 41,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,772 18,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,835 1,840 22,845 1,846 4,861 1,862 5,864 1,865 1,869 11.667,870 6.96,871 5.083,872 2.462,874 2.122,875 1.343,876 0.937,877 6.506,878 8.314,879 3.466,880 3.97,881 4.46,882 4.98,883 5.47,884 5.496,885 5.834,886 6.087,887 6.255,888 6.308,889 0.833,890 29,891 8.089,893 3.257,894 7.822,895 15.47,897 12.141,899 2.322,900 51.083,903 1,904 200.109,905 108.088,906 62.74,908 67.828,911 154.042,912 267.937,913 16.786,915 10.138,916 66.334,917 109.066,918 30.707,920 176.567,921 45.954,922 200.109,923 124.874,924 67.828,926 45.954,927 200.109,928 67.828,931 28.233,932 70.379,933 26.262,934 45.954,935 200.109,936 84.614,937 154.042,940 200.109,941 23.66,942 84.429,943 45.954,944 84.614,945 200.109,946 84.614,947 154.042,949 0.553,950 0.303,951 0.165,952 0.091,953 11,954 5,955 0.171,956 7,958 1,959 3.444,960 156.79,962 12,963 98.107,968 16.602,969 8.622,970 5.188,972 84.614,973 15.649,974 4.195,978 3.219,980 42.683,981 438.765,982 31,987 10.554,989 2.166,991 0.387,994 39.938,995 44.496,996 0.285,997 0.643,998 0.814,999 0.925,1000 0.962,1001 0.962,1002 4.635,1003 1,1004 5.38,1005 2.911,1006 4.078,1007 4.654,1008 2.258,1009 6.103,1010 4.013,1011 5.801,1012 1,1013 6.878,1014 2.273,1015 3.434,1016 4.182,1017 2.243,1018 6.917,1019 3.279,1020 7.065,1021 0.486,1022 8.492,1023 2.136,1024 5.557,1025 6.736,1026 3.628,1027 10.042,1028 5.449,1029 8.37,1030 -0.144,1031 10.183,1032 1.086,1033 5.802,1034 7.124,1035 4.112,1036 11.817,1037 5.616,1038 9.711,1039 -0.397,1040 11.926,1041 -0.313,1042 7.356,1043 9.12,1044 5.201,1045 14.446,1046 7.201,1047 11.08,1048 -0.783,1049 13.708,1050 -0.884,1051 8.051,1052 9.951,1053 5.889,1054 16.581,1055 7.837,1056 12.471,1057 -0.895,1058 15.517,1059 -1.758,1060 9.351,1061 11.671,1062 6.849,1063 19.045,1064 9.149,1065 3.089,1066 -1,1067 17.346,1068 -2,1069 10.272,1070 12.747,1071 7.625,1072 21.319,1073 10.028,1074 2.473,1075 10.673,1076 19.19,1077 -2.115,1078 11.464,1079 14.318,1080 8.526,1081 23.723,1082 11.217,1083 2.234,1084 7.423,1085 21.045,1086 4.063,1087 12.493,1088 15.532,1089 9.342,1090 26.052,1091 12.215,1092 1.868,1093 5.184,1094 22.907,1095 3.47,1096 13.64,1097 17.022,1098 10.216,1099 28.434,1100 13.351,1101 1.566,1102 4.608,1103 24.776,1104 2.712,1105 14.721,1106 18.315,1107 11.051,1108 30.785,1109 14.407,1110 1.414,1111 3.365,1112 26.65,1113 2.64,1114 15.852,1115 19.762,1116 11.912,1117 33.158,1118 15.522,1119 1.304,1120 3.08,1121 28.527,1122 2.024,1123 16.957,1124 21.1,1125 12.755,1126 35.518,1127 16.604,1128 4736,1129 8649,1130 15.197,1131 28.12,1132 33.372,1133 33.781,1134 33.871,1135 33.124,1136 32.87,1137 43.799,1138 4.682,1139 85.478,1140 31.591,1141 5.307,1142 5.596,1143 6.458,1144 5.103,1145 5.089,1146 7.063,1147 3.925,1148 17.74,1149 5.02,1150 10.429,1151 1.451,1152 1.469,1153 1.473,1154 1.44,1155 1.429,1156 1.904,1157 0.204,1158 3.716,1159 1.374,1160 3.998,1161 4.024,1162 6.88,1163 3.961,1164 7.474,1165 3.948,1166 3.791,1167 3.826,1168 3.904,1169 3.72,1170 6.351,1171 3.712,1172 3.725,1173 3.774,1174 3.671,1175 3.587,1176 4.923,1177 3.578,1178 3.46,1179 3.494,1180 3.595,1181 3.302,1182 4.735,1183 3.305,1184 3.15,1185 3.184,1186 3.354,1187 2.976,1188 4.25,1189 2.982,1190 2.871,1191 2.915,1192 3.035,1193 2.875,1194 3.925,1195 2.793,1196 2.824,1197 2.886,1198 2.642,1199 2.637,1200 3.795,1201 2.623,1202 2.767,1203 2.845,1204 2.627,1205 2.606,1206 3.775,1207 2.603,1208 0.193,1209 0.156,1210 0.289,1211 0.177,1212 0.134,1213 4.449,1214 0.177,1215 3.596,1216 0.102,1217 6.656,1218 0.464,1219 4.068,1220 0.131,1221 3.089,1222 4.063,1223 2.341,1224 10.673,1225 3.02,1226 1.972,1227 1.952,1228 2.062,1229 2.04,1230 1.327,1231 2.053,1232 1.782,1233 1.75,1234 1.944,1235 1.887,1236 1.154,1237 1.909,1238 1.717,1239 1.665,1240 1.892,1241 1.881,1242 0.945,1243 1.892,1244 1.42,1245 1.38,1246 1.643,1247 1.622,1248 0.834,1249 1.623,1250 1.102,1251 1.064,1252 1.324,1253 1.319,1254 0.462,1255 1.315,1256 0.873,1257 0.83,1258 1.116,1259 1.063,1260 0.217,1261 1.081,1262 0.791,1263 0.73,1264 1.089,1265 1.008,1266 0.184,1267 1.053,1268 0.751,1269 0.697,1270 0.997,1271 0.978,1272 0.091,1273 0.999,1274 3.85,1276 5.094,1278 6.535,1280 8.074,1282 9.669,1283 3.597,1289 8.685,1290 2.632,1300 26.217,1301 60.76,1302 136.838,1303 173.367,1304 196.877,1305 204.877,1306 204.877,1307 40.239,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.9,1313 3.907,1314 3.17,1315 42.036,1316 68,1317 86,1318 0.282,1319 171.927,1320 300.18,1321 411.262,1322 3097,1323 2.5,1324 15.786,1325 0.718,1326 0.627,1327 16.786,1328 13.791,1329 10.682,1330 0.464,1331 0.35,1332 7.257,1333 9.916,1334 7.049,1335 5.877,1336 11.259,1337 8.048,1338 9.019,1339 0.311,1340 0.201,1341 9.761,1342 5.833,1343 6.802,1344 0.194,1345 0.115,1346 7.519,1347 4.021,1348 5.452,1349 0.127,1350 0.064,1351 6.07,1352 2.75,1353 4.314,1354 0.085,1355 0.036,1356 4.829,1357 1.853,1358 0.437,1359 74.116,1360 0.257,1361 21.837,1362 0.788,1363 104,1364 306.185,1365 175.687,1366 337.402,1367 437.6,1368 312,1369 116,1370 279.513,1371 154.073,1372 298.655,1373 427.26,1374 281,1375 6.886} {0 CHEMBL317605,1 1.292,2 13.077,3 5.915,4 34.982,5 106.712,6 6.391,7 0.444,8 4.036,9 4.163,10 3.449,11 3.611,12 5.059,13 3.541,14 4.572,15 4.763,16 3.68,17 3.972,18 5.575,19 3.849,20 4.878,21 5.144,22 3.661,23 4.086,24 5.672,25 3.92,26 4.854,27 5.121,28 3.632,29 4.064,30 5.634,31 3.895,32 4.864,33 5.123,34 3.67,35 4.091,36 5.674,37 3.926,38 4.921,39 5.194,40 3.609,41 4.087,42 5.713,43 3.904,44 4.875,45 5.161,46 3.448,47 3.987,48 5.632,49 3.784,50 4.74,51 5.034,52 3.27,53 3.827,54 5.481,55 3.618,56 0.056,57 0.706,58 12.604,59 5.703,60 9.443,61 7.767,62 0.209,63 1.142,64 21.796,65 9.375,66 36.709,67 13.129,68 0.215,69 1.424,70 29.726,71 12.159,72 35.56,73 17.243,74 0.198,75 1.395,76 28.948,77 11.912,78 32.293,79 16.93,80 0.196,81 1.428,82 29.28,83 12.012,84 33.473,85 17.088,86 0.228,87 1.497,88 31.118,89 12.315,90 38.352,91 17.744,92 0.227,93 1.396,94 29.71,95 11.645,96 37.802,97 16.824,98 0.205,99 1.198,100 25.974,101 10.175,102 33.747,103 14.651,104 16,105 32,106 0.215,107 0.498,108 0.642,109 0.765,110 0.838,111 0.873,112 3.302,113 1.072,114 -5.27,115 -5.16,116 -4.83,118 41.8,120 9,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 20,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 22,195 1,198 3,203 1,206 21,207 1,210 4,215 1,218 20,219 1,222 4,227 1,229 17,230 1,234 3,239 1,242 14,243 1,247 2,252 1,255 12,256 1,259 2,264 1,267 11,268 1,270 1236,271 17.899,272 17.899,273 17.899,274 17.899,275 17.899,276 16.031,277 5.568,278 11.69,279 17.969,280 13.415,281 13.415,282 13.415,283 13.415,284 13.415,285 10.755,286 1.893,287 5.671,288 13.514,289 4.49,290 2.792,291 1.929,292 1.191,293 0.755,294 0.545,295 3.976,300 1,301 701,302 4.123,306 207.726,313 1.994,314 16.522,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 54.5,326 340,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.242,349 2.236,350 2.71,352 5.184,353 2.224,354 3.28,355 2.017,356 4.224,357 2.911,358 1.912,359 2.58,361 4.086,362 1.909,363 2.904,364 1.844,365 3.89,366 2.755,367 1.765,368 1.915,370 3.729,371 1.746,372 2.781,373 1.64,374 3.641,375 2.573,376 1.578,377 1.908,379 3.21,380 1.568,381 2.71,382 1.431,383 3.555,384 2.301,385 1.317,386 1.717,388 2.88,389 1.295,390 2.5,391 1.317,392 3.403,393 2.244,394 1.247,395 1.5,397 2.606,398 1.241,399 2.5,400 1.059,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.479,409 1,410 3.247,411 1.957,412 1,413 1.431,415 2.136,416 0.954,417 2.104,418 1,419 3.121,420 1.876,421 0.878,422 1.029,424 1.929,425 0.874,426 1.638,427 0.698,428 2.742,429 1.502,430 0.503,431 0.559,433 1.095,434 0.501,435 1.168,436 0.457,437 2.337,438 1.069,439 0.068,440 0.072,442 0.146,443 0.068,444 0.813,445 0.203,446 2.198,447 0.605,448 -0.396,449 -0.42,451 -0.845,452 -0.393,453 0.719,454 -0.204,455 1.912,456 0.278,457 -0.705,458 -0.897,460 -1.547,461 -0.688,462 12.567,463 0.483,464 0.315,465 0.012,466 29.5,467 1.135,468 15,469 0.577,470 14.5,471 0.558,472 23.116,473 0.889,474 28.833,475 0.524,476 18.981,477 0.73,478 5.429,479 0.209,480 7.342,481 0.282,482 0.053,484 0.159,487 0.757,488 1.179,489 0.974,490 1.121,491 0.691,492 1.077,493 0.465,494 1.216,495 1.071,496 1.218,497 0.394,498 1.202,499 0.769,500 0.931,501 0.93,502 0.937,503 0.781,504 0.949,505 0.693,506 0.952,507 0.926,508 0.958,509 0.686,510 0.965,511 0.713,512 1.031,513 0.973,514 1.019,515 0.707,516 1.022,517 0.764,518 1.034,519 1.022,520 1.026,521 0.724,522 1.043,523 0.774,524 0.995,525 1.014,526 1.005,527 0.749,528 1.026,529 0.809,530 0.939,531 0.985,532 0.965,533 0.812,534 0.987,535 2.5,536 0.058,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.09,544 0.071,545 8895,546 21985,547 2.018,548 52.7,549 16,550 8,552 2,553 1,554 2,558 1.685,559 1.95,560 3.603,561 -0.446,567 71.051,568 1.292,569 2.989,570 3.853,571 4.591,572 5.027,573 5.236,574 3.009,575 3.777,576 4.666,577 3.866,578 1256.57,579 8.056,580 17546.5,585 317.975,586 0.991,587 4.662,588 0.093,589 0.004,590 0.049,591 0.032,592 0.015,593 0.008,594 0.009,595 0.007,596 0.005,597 0.004,598 0.225,599 0.5,600 0.88,601 2.454,602 132.541,603 -0.034,604 -0.005,605 0.012,606 0.027,607 -0.007,608 0.022,609 0.182,610 -0.122,611 -0.107,612 -0.142,613 0.22,614 -0.15,615 -0.031,616 0.046,617 0.027,618 0.062,619 -0.028,620 0.051,621 -0.016,622 0.027,623 0.026,624 0.043,625 -0.016,626 0.038,627 -0.024,628 -0.036,629 -0.019,630 -0.012,631 -0.032,632 -0.016,633 -0.045,634 -0.043,635 -0.065,636 -0.046,637 -0.053,638 -0.056,639 -0.042,640 -0.029,641 -0.059,642 -0.04,643 -0.057,644 -0.049,645 -0.038,646 0.006,647 -0.03,648 -0.007,649 -0.061,650 -0.016,651 2.348,652 3.457,653 0.462,654 29.964,655 0.984,656 1.122,657 4.043,658 16.348,659 0.647,660 3.332,661 3.497,662 3.638,663 3.807,664 3.951,665 3.85,666 3.912,667 3.892,668 3.784,669 3.664,670 7.89,671 0.597,672 351.53,673 3.332,674 4.779,675 5.549,676 6.347,677 7.143,678 7.956,679 8.767,680 9.59,681 10.411,682 11.241,683 1.8,693 1,699 9,700 1,704 2,706 12,724 55,726 14,727 1,728 27,730 56,731 23,733 11,734 1,735 5,736 2,739 2,740 2,751 9,753 14,754 9,756 2,761 1,763 1,765 2,772 29,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 26,845 1,846 9,862 3.6,864 1,865 1,869 13.333,870 9.4,871 6.139,872 3.725,874 1.976,875 1.308,876 0.922,877 9.388,878 8.385,879 3.584,880 4.007,881 4.449,882 4.936,883 5.416,884 5.411,885 5.781,886 5.989,887 6.095,888 6.167,889 1,890 31,891 9.612,893 3.811,894 7.66,895 18.881,897 14.907,899 2.16,900 56.167,904 329.591,905 127.182,906 16.786,908 67.828,911 127.182,912 397.419,913 16.786,915 22.811,916 75.81,917 109.066,918 27.652,920 306.049,922 329.591,923 143.968,924 67.828,927 329.591,928 67.828,931 40.906,932 76.8,933 26.262,935 329.591,936 84.614,937 127.182,940 329.591,941 33.277,942 93.905,944 84.614,945 329.591,946 84.614,947 127.182,949 0.537,950 0.285,951 0.154,952 0.084,953 10,954 4,955 0.214,956 12,958 1,959 4.04,960 183.909,962 12,963 118.211,968 20.07,969 12.162,970 8.131,972 84.614,973 18.318,974 4.258,978 2.399,980 42.683,981 541.387,982 35,987 10.457,989 2.333,991 0.576,994 54.127,995 61.73,996 0.223,997 0.517,998 0.666,999 0.794,1000 0.869,1001 0.906,1002 4.727,1003 1.247,1004 5.425,1005 2.88,1006 4.174,1007 4.691,1008 2.258,1009 6.061,1010 4.161,1011 5.839,1012 1,1013 6.86,1014 2.606,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.062,1021 1,1022 8.41,1023 2.136,1024 5.565,1025 6.674,1026 3.628,1027 9.825,1028 5.544,1029 8.325,1030 0.878,1031 10.043,1032 2.136,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.63,1039 0.503,1040 11.74,1041 1.929,1042 7.259,1043 8.976,1044 5.201,1045 14.12,1046 7.235,1047 10.966,1048 0.068,1049 13.483,1050 1.095,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.327,1057 -0.396,1058 15.26,1059 0.146,1060 9.158,1061 11.45,1062 6.849,1063 18.634,1064 9.133,1065 3.006,1066 -0.705,1067 17.063,1068 -0.845,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.883,1077 -1.547,1078 11.192,1079 14.024,1080 8.526,1081 23.227,1082 11.167,1083 2.236,1084 6.4,1085 20.716,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.912,1093 5.184,1094 22.558,1095 3.298,1096 13.304,1097 16.66,1098 10.216,1099 27.849,1100 13.279,1101 1.765,1102 4.086,1103 24.408,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.578,1111 3.729,1112 26.262,1113 2.58,1114 15.46,1115 19.335,1116 11.912,1117 32.481,1118 15.434,1119 1.317,1120 3.21,1121 28.12,1122 1.915,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 8950,1129 14160,1130 18.257,1131 35.574,1132 37.991,1133 38.339,1134 38.058,1135 37.601,1136 37.579,1137 48.326,1138 4.682,1139 91.419,1140 37.279,1141 5.314,1142 5.596,1143 6.422,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 10.271,1151 1.407,1152 1.42,1153 1.41,1154 1.393,1155 1.392,1156 1.79,1157 0.173,1158 3.386,1159 1.381,1160 3.999,1161 4.029,1162 3.94,1163 3.944,1164 7.474,1165 3.939,1166 3.803,1167 3.86,1168 3.716,1169 3.708,1170 6.351,1171 3.703,1172 3.787,1173 3.827,1174 3.653,1175 3.678,1176 4.924,1177 3.663,1178 3.665,1179 3.72,1180 3.527,1181 3.529,1182 4.74,1183 3.517,1184 3.488,1185 3.538,1186 3.354,1187 3.336,1188 4.27,1189 3.33,1190 3.282,1191 3.331,1192 3.145,1193 3.121,1194 4.144,1195 3.119,1196 3.065,1197 3.122,1198 2.895,1199 2.879,1200 3.927,1201 2.875,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.799,1207 2.715,1208 0.162,1209 0.133,1210 0.241,1211 0.148,1212 0.111,1213 4.369,1214 0.146,1215 3.596,1216 0.087,1217 6.498,1218 0.377,1219 4.005,1220 0.111,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.091,1229 2.051,1230 1.423,1231 2.064,1232 1.81,1233 1.757,1234 2.042,1235 1.962,1236 1.284,1237 1.993,1238 1.78,1239 1.74,1240 1.929,1241 1.893,1242 1.159,1243 1.904,1244 1.669,1245 1.613,1246 1.899,1247 1.842,1248 1.01,1249 1.867,1250 1.477,1251 1.424,1252 1.733,1253 1.671,1254 0.929,1255 1.69,1256 1.262,1257 1.211,1258 1.522,1259 1.47,1260 0.746,1261 1.485,1262 1.046,1263 0.988,1264 1.327,1265 1.274,1266 0.51,1267 1.29,1268 0.886,1269 0.821,1270 1.181,1271 1.096,1272 0.342,1273 1.122,1274 4.007,1276 5.209,1278 6.597,1280 8.078,1282 9.616,1289 8.613,1290 9.213,1300 32.826,1301 71.051,1302 164.394,1303 211.901,1304 252.491,1305 276.465,1306 287.975,1307 53.696,1308 6.409,1309 50.19,1310 50.19,1311 12,1312 11.817,1313 3.907,1314 3.17,1315 55.47,1316 120,1317 134,1318 0.214,1319 207.975,1320 367.4,1321 499.219,1322 4654,1324 18.452,1325 0.71,1326 0.594,1327 18.452,1328 15.44,1329 12.771,1330 0.473,1331 0.357,1332 9.603,1333 12.547,1334 9.398,1335 7.902,1336 12.771,1337 9.649,1338 10.26,1339 0.321,1340 0.207,1341 10.26,1342 6.633,1343 7.58,1344 0.205,1345 0.122,1346 7.58,1347 4.501,1348 5.974,1349 0.136,1350 0.07,1351 5.974,1352 3.093,1353 4.659,1354 0.091,1355 0.041,1356 4.659,1357 2.084,1358 0.354,1359 78.28,1360 0.234,1361 26.212,1362 0.542,1363 118,1364 299.53,1365 123.816,1366 296.222,1367 394.43,1368 276,1369 128,1370 274.779,1371 132.157,1372 282.022,1373 399.16,1374 266,1375 6.284} {0 CHEMBL317733,1 1.423,2 7.316,3 2.721,4 7.405,5 74.505,6 7.451,7 0.6,8 3.595,9 3.698,10 3.148,11 3.205,12 4.793,13 3.171,14 4.045,15 4.191,16 3.41,17 3.538,18 5.294,19 3.469,20 4.293,21 4.498,22 3.379,23 3.632,24 5.323,25 3.529,26 4.249,27 4.453,28 3.34,29 3.597,30 5.291,31 3.491,32 4.271,33 4.47,34 3.387,35 3.647,36 5.28,37 3.538,38 4.395,39 4.631,40 3.357,41 3.643,42 5.378,43 3.514,44 4.343,45 4.599,46 3.231,47 3.421,48 5.479,49 3.305,50 4.064,51 4.303,52 2.88,53 2.916,54 5.462,55 2.845,56 0.022,57 0.423,58 6.493,59 3.194,60 8.133,61 3.985,62 0.137,63 0.665,64 11.002,65 5.043,66 33.129,67 6.593,68 0.145,69 0.818,70 15.801,71 6.621,72 35.339,73 8.715,74 0.123,75 0.787,76 14.988,77 6.36,78 29.8,79 8.419,80 0.081,81 0.824,82 14.874,83 6.535,84 22.359,85 8.782,86 0.095,87 0.934,88 17.781,89 7.22,90 24.345,91 10.008,92 0.115,93 0.849,94 17.946,95 6.671,96 31.618,97 9.163,98 0.321,99 0.577,100 14.647,101 4.625,102 61.141,103 5.726,104 9,105 25,106 0.262,107 0.575,108 0.725,109 0.843,110 0.873,111 0.873,112 3.01,113 0.922,114 -3.68,115 -3.64,116 -3.47,118 47.1,120 2,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 1,186 3,191 1,194 15,195 1,198 3,203 1,206 14,207 1,210 4,215 1,218 12,219 2,222 5,227 2,229 7,230 3,234 4,235 1,239 3,242 2,243 3,246 1,247 3,250 1,252 3,256 1,259 1,264 1,270 522,271 12.949,272 12.949,273 12.949,274 12.949,275 12.949,276 11.082,277 4,278 8.19,279 13.02,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.255,286 1.696,287 3.924,288 10.014,289 3.665,290 1.967,291 1.152,292 0.515,293 0.353,294 0.353,295 3.671,298 1,299 1,300 1,301 285,302 3.162,306 134.519,313 1.069,314 14.964,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 40.5,326 139,327 4.369,328 3.598,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.002,336 3.736,337 3.022,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.552,346 2.278,347 4.661,348 3.23,349 2.224,350 2.724,352 5.186,353 2.211,354 3.262,355 1.917,356 4.196,357 2.733,358 1.748,359 2.556,361 3.959,362 1.719,363 2.781,364 1.555,365 3.555,366 2.302,367 1.317,368 1.908,370 2.88,371 1.296,372 2.638,373 1.317,374 3.481,375 2.241,376 1.246,377 1.615,379 2.699,380 1.234,381 2.5,382 1,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 1.891,400 0.864,401 3,402 1.549,403 0.551,404 0.704,406 1.313,407 0.547,408 0.951,409 0.461,410 2.239,411 0.66,412 -0.343,413 -0.388,415 -0.788,416 -0.339,417 0.719,418 0.032,419 2.198,420 0.277,421 -0.705,422 -0.952,424 -1.547,425 -0.688,426 0.531,427 -0.705,428 1.555,429 0.034,430 -1,431 -1.263,433 -2,434 -0.933,435 0.5,436 -0.841,437 1.555,439 -1,440 -1.5,442 -2.254,443 -0.974,444 0.5,445 -1,446 1.415,447 -0.025,448 -1,449 -1.5,451 -2.347,452 -1,453 0.271,454 -1,455 1.046,456 -0.058,457 -1,458 -1.509,460 -2.347,461 -1.025,462 9.067,463 0.477,464 0.315,465 0.017,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 11.528,473 0.607,474 19.733,475 0.58,476 17.087,477 0.899,478 5.429,479 0.286,480 3.842,481 0.202,482 0.074,484 0.221,487 0.749,488 1.043,489 0.807,490 0.955,491 0.72,492 0.902,493 0.458,494 1.087,495 0.939,496 1.084,497 0.431,498 1.076,499 0.903,500 0.93,501 1.004,502 0.941,503 0.957,504 0.983,505 0.821,506 0.97,507 1.001,508 0.981,509 0.806,510 1.014,511 0.598,512 1.12,513 1.005,514 1.106,515 0.595,516 1.114,517 0.576,518 1.129,519 0.983,520 1.121,521 0.534,522 1.105,523 0.893,524 1.086,525 0.9,526 1.08,527 0.797,528 0.997,529 2.065,530 0.851,531 1.146,532 0.898,533 2.193,534 0.901,535 2.5,537 1.556,538 1,539 0.382,540 0.194,541 0.362,542 0.26,543 0.107,544 0.063,545 3008,546 9224,547 2.025,548 44.1,549 2,550 8,552 2,553 1,554 2,558 1.609,559 1.932,560 2.918,561 -0.353,563 1,565 1,567 48.37,568 1.423,569 3.121,570 3.936,571 4.572,572 4.735,573 4.735,574 2.249,575 2.945,576 4.216,577 3.056,578 522.578,579 7.214,580 5309.53,581 1,582 1,584 1,585 172.974,586 1.19,587 4.196,588 0.125,590 0.062,591 0.042,592 0.017,593 0.008,594 0.016,595 0.014,596 0.01,597 0.016,598 0.31,599 0.83,600 1,601 1.46,602 82.218,603 -0.061,605 0.004,606 0.046,607 -0.077,608 0.034,609 0.2,610 -0.057,611 -0.089,612 -0.098,613 0.198,614 -0.126,615 -0.104,616 0.037,617 -0.072,618 0.047,619 -0.131,621 -0.083,623 -0.078,624 0.008,625 -0.064,626 -0.029,627 -0.031,628 -0.134,629 -0.113,630 -0.117,631 -0.05,632 -0.127,633 0.02,634 -0.138,635 -0.044,636 -0.153,637 0.005,638 -0.112,639 0.054,640 -0.127,641 0.121,642 -0.127,643 0.124,644 -0.01,645 0.003,646 0.063,647 0.017,648 0.023,649 -0.052,650 0.016,651 2.449,652 3.612,653 0.632,654 13.762,655 0.998,656 1.112,657 2.446,658 5.983,659 0.684,660 3.045,661 3.258,662 3.434,663 3.638,664 3.807,665 3.714,666 3.807,667 3.714,668 3.497,669 3.219,670 4.84,671 0.651,672 253.32,673 3.045,674 4.511,675 5.303,676 6.129,677 6.948,678 7.786,679 8.618,680 9.461,681 10.3,682 11.146,683 2.9,693 1,699 9,700 1,704 2,706 12,724 34,726 14,727 1,728 20,730 35,731 16,733 11,734 1,735 5,736 2,739 2,740 2,751 2,753 14,754 2,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 19,845 1,846 2,862 5.9,864 1,865 1,869 9.833,870 5.9,871 4.389,872 1.975,874 2.127,875 1.359,876 0.935,877 4.598,878 8.056,879 3.367,880 3.871,881 4.363,882 4.885,883 5.393,884 5.402,885 5.815,886 6.019,887 6.124,888 6.196,889 0.8,890 24,891 6.97,893 2.821,894 7.904,895 13.166,897 10.241,899 2.404,900 45.667,901 0.001,904 164.795,905 109.44,906 16.786,908 67.828,911 109.44,912 232.624,913 16.786,915 5.069,916 75.81,917 109.066,918 27.652,920 141.253,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 23.164,932 76.8,933 26.262,935 164.795,936 84.614,937 109.44,940 164.795,941 15.536,942 93.905,944 84.614,945 164.795,946 84.614,947 109.44,949 0.55,950 0.297,951 0.164,952 0.092,953 10,954 4,955 0.143,956 5,958 1,959 3.172,960 128.425,962 12,963 76.711,968 13.191,969 6.623,970 3.869,972 84.614,973 17.299,974 4.117,978 2.069,980 42.683,981 358.85,982 28,987 10.612,989 1.959,991 0.241,994 33.942,995 37.824,996 0.28,997 0.613,998 0.774,999 0.899,1000 0.931,1001 0.931,1002 4.522,1003 1,1004 5.22,1005 2.136,1006 3.932,1007 4.554,1008 2.258,1009 5.922,1010 3.915,1011 5.685,1012 0.551,1013 6.701,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.941,1021 -0.343,1022 8.294,1023 1.313,1024 5.389,1025 6.619,1026 3.628,1027 9.788,1028 5.365,1029 8.235,1030 -0.705,1031 9.964,1032 -0.788,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.563,1039 -1,1040 11.687,1041 -1.547,1042 7.155,1043 8.958,1044 5.201,1045 14.114,1046 7.129,1047 10.917,1048 -1,1049 13.449,1050 -2,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.292,1057 -1,1058 15.239,1059 -2.254,1060 9.105,1061 11.445,1062 6.849,1063 18.633,1064 9.079,1065 3.006,1066 -1,1067 17.049,1068 -2.347,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.874,1077 -2.347,1078 11.167,1079 14.023,1080 8.526,1081 23.227,1082 11.142,1083 2.224,1084 6.4,1085 20.711,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.137,1092 1.748,1093 5.186,1094 22.555,1095 3.298,1096 13.294,1097 16.66,1098 10.216,1099 27.849,1100 13.269,1101 1.317,1102 3.959,1103 24.406,1104 2.724,1105 14.342,1106 17.883,1107 11.051,1108 30.154,1109 14.319,1110 1.246,1111 2.88,1112 26.261,1113 2.556,1114 15.456,1115 19.336,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.699,1121 28.12,1122 1.908,1123 16.531,1124 20.618,1125 12.755,1126 34.795,1127 16.506,1128 3084,1129 5466,1130 13.405,1131 23.245,1132 29.256,1133 29.404,1134 29.265,1135 28.753,1136 28.744,1137 39.497,1138 4.682,1139 73.765,1140 28.444,1141 5.122,1142 5.598,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.002,1150 7.689,1151 1.463,1152 1.47,1153 1.463,1154 1.438,1155 1.437,1156 1.975,1157 0.234,1158 3.688,1159 1.422,1160 3.994,1161 4.022,1162 3.938,1163 3.94,1164 7.474,1165 3.936,1166 3.788,1167 3.828,1168 3.716,1169 3.704,1170 6.351,1171 3.702,1172 3.65,1173 3.687,1174 3.548,1175 3.495,1176 4.923,1177 3.496,1178 3.285,1179 3.304,1180 3.209,1181 3.119,1182 4.74,1183 3.135,1184 2.894,1185 2.937,1186 2.748,1187 2.735,1188 4.219,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.675,1194 3.808,1195 2.69,1196 2.769,1197 2.85,1198 2.626,1199 2.621,1200 3.674,1201 2.61,1202 2.67,1203 2.741,1204 2.538,1205 2.487,1206 3.674,1207 2.497,1208 0.218,1209 0.18,1210 0.325,1211 0.2,1212 0.15,1213 4.369,1214 0.197,1215 3.598,1216 0.117,1217 6.498,1218 0.509,1219 4.005,1220 0.15,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.002,1226 1.973,1227 1.949,1228 2.076,1229 2.048,1230 1.231,1231 2.058,1232 1.783,1233 1.747,1234 1.916,1235 1.893,1236 1.045,1237 1.904,1238 1.619,1239 1.575,1240 1.831,1241 1.807,1242 0.925,1243 1.812,1244 1.217,1245 1.192,1246 1.394,1247 1.426,1248 0.494,1249 1.406,1250 0.886,1251 0.821,1252 1.181,1253 1.101,1254 0.218,1255 1.107,1256 0.831,1257 0.79,1258 1.101,1259 1.062,1260 0.18,1261 1.101,1262 0.764,1263 0.701,1264 1.042,1265 0.986,1266 0.109,1267 1.008,1268 0.658,1269 0.58,1270 0.948,1271 0.871,1273 0.906,1274 3.714,1276 4.949,1278 6.385,1280 7.913,1282 9.491,1289 8.726,1290 0.644,1300 22.139,1301 48.37,1302 106.103,1303 133.812,1304 155.464,1305 160.974,1306 160.974,1307 29.572,1308 5.93,1309 50.19,1310 50.19,1311 12,1312 11.709,1313 3.907,1314 3.17,1315 33.353,1316 50,1317 57,1318 0.308,1319 140.829,1320 246.3,1321 335.382,1322 2148,1324 13.502,1325 0.711,1326 0.552,1327 13.502,1328 10.49,1329 9.271,1330 0.464,1331 0.307,1332 6.103,1333 9.047,1334 5.967,1335 4.986,1336 9.271,1337 6.149,1338 7.785,1339 0.311,1340 0.166,1341 7.785,1342 4.158,1343 5.83,1344 0.194,1345 0.092,1346 5.83,1347 2.764,1348 4.743,1349 0.128,1350 0.051,1351 4.743,1352 1.882,1353 3.746,1354 0.085,1355 0.028,1356 3.746,1357 1.246,1358 0.466,1359 57.28,1360 0.273,1361 18.985,1362 0.892,1363 90,1364 271.53,1365 95.816,1366 267.091,1367 354.11,1368 248,1369 100,1370 246.779,1371 104.157,1372 252.891,1373 358.86,1374 238,1375 6.959} {0 CHEMBL318048,1 1.363,2 10,3 4.264,4 18.179,5 106.359,6 6.769,7 0.414,8 4.049,9 4.164,10 3.516,11 3.624,12 5.116,13 3.573,14 4.597,15 4.762,16 3.857,17 4.037,18 5.651,19 3.95,20 4.955,21 5.18,22 3.905,23 4.184,24 5.889,25 4.063,26 5.01,27 5.243,28 3.932,29 4.177,30 6.107,31 4.057,32 5.029,33 5.257,34 3.865,35 4.178,36 6.049,37 4.051,38 5.023,39 5.287,40 3.671,41 4.122,42 5.952,43 3.953,44 4.867,45 5.158,46 3.502,47 3.979,48 5.643,49 3.789,50 4.661,51 4.936,52 3.531,53 3.833,54 5.503,55 3.691,56 0.056,57 0.701,58 12.072,59 5.585,60 13.546,61 7.312,62 0.185,63 1.172,64 21.558,65 9.488,66 42.794,67 12.854,68 0.271,69 1.534,70 32.469,71 12.869,72 54.998,73 17.577,74 0.543,75 1.571,76 35.053,77 13.197,78 101.993,79 18.056,80 0.424,81 1.597,82 35.791,83 13.199,84 81.932,85 17.856,86 0.413,87 1.597,88 35.729,89 13.071,90 80.896,91 18.363,92 0.235,93 1.391,94 30.107,95 11.625,96 43.85,97 16.845,98 0.156,99 1.137,100 24.268,101 9.547,102 27.644,103 13.618,104 11,105 39,106 0.227,107 0.549,108 0.712,109 0.837,110 0.854,111 0.854,112 3.34,113 1.005,114 -4.47,115 -4.39,116 -4.14,118 42.6,120 7,121 1,129 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 4,180 22,181 1,186 3,191 4,192 1,194 21,195 3,198 5,201 1,202 1,203 4,206 20,207 3,210 6,215 4,218 19,219 1,222 4,227 2,229 16,230 1,234 3,239 2,242 12,243 2,247 3,252 4,255 10,256 3,259 3,260 1,264 6,267 11,268 3,270 1105,271 18.302,272 18.302,273 18.302,274 18.302,275 18.302,276 16.459,277 8.53,278 11.158,279 18.408,280 14.316,281 14.316,282 14.316,283 14.316,284 14.316,285 11.698,286 6.217,287 5.225,288 14.498,289 4.392,290 2.463,291 1.485,292 0.732,293 0.63,294 0.63,295 4.02,299 1,300 1,301 572,302 4.123,305 91.357,306 209.757,313 1.259,314 29.021,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 57.5,326 270,327 4.496,328 3.899,329 7.54,330 4.446,331 3.475,332 3.943,333 2.341,334 13.462,335 3.368,336 4.369,337 3.319,338 6.498,339 4.004,340 3.006,341 3.538,343 10.173,344 3.001,345 3.736,346 3.024,347 5.55,348 3.287,349 2.292,350 3.298,352 6.713,353 2.262,354 3.524,355 2.278,356 5.247,357 3.27,358 2.278,359 2.637,361 6.4,362 2.259,363 3.278,364 2.004,365 4.223,366 2.792,367 1.802,368 2.579,370 4.056,371 1.782,372 2.781,373 1.739,374 3.966,375 2.554,376 1.56,377 1.908,379 3.31,380 1.545,381 2.758,382 1.532,383 3.67,384 2.359,385 1.367,386 1.776,388 2.891,389 1.35,390 2.509,391 1.317,392 3.618,393 2.3,394 1.317,395 1.5,397 2.88,398 1.293,399 2.5,400 1.302,401 3.555,402 2.013,403 1.018,404 1.5,406 2.389,407 1.008,408 2.5,409 1,410 3.406,411 2,412 1,413 1.458,415 2.136,416 1,417 2.303,418 1,419 3.247,420 1.956,421 1,422 1.247,424 2.136,425 0.953,426 1.777,427 0.787,428 3.247,429 1.618,430 0.618,431 0.645,433 1.464,434 0.618,435 1.618,436 0.618,437 3.16,438 1.54,439 0.544,440 0.618,442 1.357,443 0.538,444 1.076,445 0.434,446 2.791,447 0.918,448 -0.081,449 -0.087,451 -0.192,452 -0.08,453 0.719,454 0.158,455 2.27,456 0.279,457 -0.705,458 -0.803,460 -1.547,461 -0.687,462 12.9,463 0.478,464 0.572,465 0.021,466 30.75,467 1.139,468 15,469 0.556,470 15.75,471 0.583,472 25.861,473 0.958,474 29.7,475 0.55,476 22.036,477 0.816,478 5.646,479 0.209,480 7.454,481 0.276,482 0.078,483 0.039,484 0.194,487 0.821,488 1.102,489 0.91,490 1.042,491 0.794,492 0.998,493 0.526,494 1.177,495 0.962,496 1.174,497 0.503,498 1.13,499 1.007,500 1.043,501 1.006,502 1.049,503 1.013,504 1.034,505 1.035,506 0.955,507 0.978,508 0.962,509 1.052,510 0.966,511 1.454,512 1.018,513 1.161,514 1.011,515 1.547,516 1.047,517 1.144,518 0.948,519 1.113,520 0.948,521 1.136,522 1.014,523 0.542,524 0.924,525 0.888,526 0.935,527 0.523,528 0.95,529 0.531,530 0.878,531 0.738,532 0.886,533 0.539,534 0.842,535 4.5,536 0.146,537 3.333,538 2.125,539 0.862,540 0.49,541 0.214,542 0.301,543 0.429,544 0.279,545 8784,546 21392,547 2.048,548 50,549 10,550 8,552 2,553 2,554 1,555 4,558 1.703,559 1.94,560 3.267,561 0.157,563 1,567 73.585,568 1.363,569 3.292,570 4.27,571 5.023,572 5.125,573 5.125,574 2.503,575 3.482,576 4.734,577 3.479,578 1221.04,579 8.223,580 16421.8,582 1,584 1,585 310.764,586 1.369,587 4.689,588 0.155,589 0.005,590 0.085,591 0.054,592 0.022,593 0.014,594 0.007,595 0.012,596 0.016,597 0.008,598 0.379,599 0.17,600 1,601 0.704,602 134.5,603 -0.07,604 0.05,605 0.01,606 0.08,607 -0.069,608 0.058,609 0.139,610 -0.08,611 -0.04,612 -0.098,613 0.143,614 -0.092,615 -0.059,616 -0.053,617 -0.036,618 -0.043,619 -0.075,620 -0.038,621 0.115,622 0.011,623 0.021,624 0.021,625 0.103,626 0.01,627 -0.179,628 -0.048,629 -0.15,630 -0.035,631 -0.202,632 -0.083,633 -0.144,634 0.015,635 -0.125,636 0.009,637 -0.12,638 -0.047,639 0.019,640 0.034,641 0.054,642 0.033,643 0.001,644 0.047,645 0.083,646 0.09,647 0.209,648 0.096,649 0.051,650 0.162,651 2.543,652 4.681,653 0.63,654 21.775,655 0.992,656 1.121,657 3.235,658 10.468,659 0.653,660 3.401,661 3.689,662 3.932,663 4.143,664 4.174,665 4.06,666 4.094,667 4.111,668 4.174,669 4.143,670 6.486,671 0.611,672 365.51,673 3.401,674 4.92,675 5.753,676 6.619,677 7.469,678 8.342,679 9.198,680 10.073,681 10.931,682 11.807,683 1.9,693 1,699 9,700 1,704 2,706 12,724 54,726 14,727 1,728 29,730 56,731 23,733 11,734 1,735 5,736 2,739 3,740 3,748 4,749 1,751 7,753 14,754 9,755 2,756 2,761 1,763 1,765 2,769 1,772 27,773 4,774 2,775 4,779 1,784 1,785 3,788 1,795 1,801 1,802 2,818 1,822 1,823 1,830 2,832 3,840 27,845 2,846 7,850 1,852 1,862 5.6,863 1,864 1,865 1,869 13.917,870 9.183,871 6.083,872 3.483,874 1.907,875 1.286,876 0.903,877 6.547,878 8.569,879 3.638,880 4.127,881 4.6,882 5.077,883 5.48,884 5.472,885 5.838,886 6.066,887 6.263,888 6.41,889 1,890 39,891 10.093,893 4.341,894 7.787,895 19.417,897 16.253,899 2.287,900 61.75,902 1,903 1,904 294.278,905 122.113,906 16.786,908 110.512,911 122.113,912 404.789,913 16.786,915 17.742,916 118.493,917 109.066,918 27.652,920 270.735,922 294.278,923 138.899,924 110.512,927 247.193,928 114.913,929 42.683,931 35.837,932 76.8,933 26.262,935 294.278,936 127.297,937 122.113,940 294.278,941 28.208,942 93.905,944 127.297,945 294.278,946 127.297,947 122.113,949 0.569,950 0.335,951 0.187,952 0.088,953 17,954 7,955 0.143,956 8,958 1,959 3.884,960 219.679,962 17,963 120.382,968 19.475,969 9.077,970 4.911,972 127.297,973 17.705,974 4.221,978 2.169,980 85.367,981 543.688,982 37,987 11.679,989 2.157,991 0.231,994 53.571,995 60.524,996 0.237,997 0.572,998 0.742,999 0.873,1000 0.891,1001 0.891,1002 4.86,1003 1.317,1004 5.74,1005 2.891,1006 4.369,1007 4.812,1008 2.258,1009 6.581,1010 4.343,1011 6.034,1012 1.018,1013 7.322,1014 2.88,1015 4.007,1016 4.407,1017 2.243,1018 7.888,1019 3.935,1020 7.328,1021 1,1022 9.038,1023 2.389,1024 6.019,1025 6.852,1026 3.628,1027 10.957,1028 5.957,1029 8.665,1030 1,1031 10.844,1032 2.136,1033 6.594,1034 7.276,1035 4.112,1036 13.156,1037 6.482,1038 10.04,1039 0.618,1040 12.71,1041 2.136,1042 8.071,1043 9.191,1044 5.201,1045 15.847,1046 7.956,1047 11.443,1048 0.544,1049 14.616,1050 1.464,1051 9.039,1052 10.004,1053 5.889,1054 18.313,1055 8.878,1056 12.867,1057 -0.081,1058 16.55,1059 1.357,1060 10.337,1061 11.677,1062 6.849,1063 20.921,1064 10.16,1065 3.475,1066 -0.705,1067 18.503,1068 -0.192,1069 11.464,1070 12.703,1071 7.625,1072 23.47,1073 11.245,1074 3.006,1075 13.462,1076 20.469,1077 -1.547,1078 12.707,1079 14.243,1080 8.526,1081 26.064,1082 12.463,1083 2.292,1084 10.173,1085 22.446,1086 3.943,1087 13.895,1088 15.395,1089 9.342,1090 28.641,1091 13.614,1092 2.278,1093 6.713,1094 24.431,1095 3.538,1096 15.126,1097 16.86,1098 10.216,1099 31.234,1100 14.814,1101 1.802,1102 6.4,1103 26.422,1104 3.298,1105 16.339,1106 18.09,1107 11.051,1108 33.823,1109 15.992,1110 1.56,1111 4.056,1112 28.418,1113 2.637,1114 17.569,1115 19.51,1116 11.912,1117 36.418,1118 17.189,1119 1.367,1120 3.31,1121 30.418,1122 2.579,1123 18.795,1124 20.79,1125 12.755,1126 39.012,1127 18.38,1128 8541,1129 13412,1130 19.356,1131 35.267,1132 43.124,1133 43.215,1134 44.124,1135 42.636,1136 42.555,1137 53.292,1138 4.682,1139 118.731,1140 41.952,1141 5.461,1142 5.899,1143 7.342,1144 5.482,1145 5.475,1146 6.943,1147 3.925,1148 21.121,1149 5.368,1150 11.499,1151 1.487,1152 1.49,1153 1.522,1154 1.47,1155 1.467,1156 1.838,1157 0.161,1158 4.094,1159 1.447,1160 4.01,1161 4.041,1162 3.946,1163 3.948,1164 7.474,1165 3.943,1166 3.924,1167 3.959,1168 3.829,1169 3.819,1170 6.446,1171 3.814,1172 3.788,1173 3.828,1174 3.716,1175 3.703,1176 6.35,1177 3.701,1178 3.643,1179 3.702,1180 3.496,1181 3.52,1182 4.924,1183 3.505,1184 3.433,1185 3.463,1186 3.335,1187 3.274,1188 4.74,1189 3.277,1190 3.15,1191 3.186,1192 3.035,1193 2.979,1194 4.255,1195 2.985,1196 2.918,1197 2.979,1198 2.764,1199 2.735,1200 4.151,1201 2.715,1202 2.869,1203 2.949,1204 2.687,1205 2.671,1206 3.879,1207 2.641,1208 0.155,1209 0.134,1210 0.26,1211 0.153,1212 0.12,1213 4.496,1214 0.136,1215 3.899,1216 0.081,1217 7.54,1218 0.464,1219 4.446,1220 0.116,1221 3.475,1222 3.943,1223 2.341,1224 13.462,1225 3.368,1226 1.975,1227 1.951,1228 2.084,1229 2.051,1230 1.391,1231 2.063,1232 1.801,1233 1.767,1234 1.981,1235 1.948,1236 1.211,1237 1.956,1238 1.777,1239 1.741,1240 1.908,1241 1.893,1242 1.203,1243 1.902,1244 1.577,1245 1.507,1246 1.86,1247 1.751,1248 1.073,1249 1.793,1250 1.552,1251 1.501,1252 1.776,1253 1.718,1254 0.934,1255 1.741,1256 1.268,1257 1.22,1258 1.513,1259 1.484,1260 0.737,1261 1.48,1262 1.061,1263 1.035,1264 1.276,1265 1.319,1266 0.428,1267 1.301,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.078,1276 5.371,1277 2.398,1278 6.866,1279 4.595,1280 8.454,1281 6.581,1282 10.092,1289 20.261,1290 5.028,1294 -0.674,1296 -1.027,1300 33.014,1301 73.585,1302 177.78,1303 230.583,1304 271.254,1305 276.764,1306 276.764,1307 65.803,1308 6.662,1309 70.42,1310 70.42,1311 17,1312 12.35,1313 3.907,1314 3.17,1315 46.892,1316 107,1317 79,1318 0.212,1319 204.578,1320 363.83,1321 490.93,1322 5864,1324 19.115,1325 0.708,1326 0.576,1327 19.115,1328 15.55,1329 13.1,1330 0.452,1331 0.335,1332 9.65,1333 12.825,1334 9.454,1335 7.838,1336 13.1,1337 9.712,1338 11.456,1339 0.294,1340 0.189,1341 11.456,1342 7.358,1343 9.259,1344 0.185,1345 0.11,1346 9.259,1347 5.519,1348 7.765,1349 0.125,1350 0.066,1351 7.765,1352 4.068,1353 5.396,1354 0.084,1355 0.038,1356 5.396,1357 2.439,1358 0.334,1359 80.755,1360 0.227,1361 25.996,1362 0.576,1363 136,1364 349.68,1365 144.584,1366 342.791,1367 457.67,1368 318,1369 157,1370 323.81,1371 164.479,1372 330.659,1373 477.52,1374 312,1375 7.187} {0 CHEMBL318459,1 1.453,2 8.8,3 2.155,4 4.644,5 59.33,6 6.843,7 0.4,8 3.447,9 3.566,10 2.906,11 2.979,12 4.594,13 2.935,14 3.93,15 4.111,16 3.103,17 3.285,18 5.128,19 3.188,20 4.185,21 4.439,22 2.956,23 3.324,24 5.131,25 3.174,26 4.085,27 4.361,28 2.749,29 3.161,30 4.979,31 2.995,32 3.914,33 4.173,34 2.656,35 3.02,36 4.852,37 2.87,38 3.82,39 4.076,40 2.571,41 2.907,42 4.835,43 2.767,44 3.672,45 3.934,46 2.457,47 2.775,48 4.657,49 2.635,50 3.518,51 3.774,52 2.343,53 2.611,54 4.52,55 2.486,56 0.022,57 0.391,58 6.502,59 2.917,60 7.663,61 3.854,62 0.144,63 0.592,64 11.137,65 4.528,66 34.06,67 6.309,68 0.161,69 0.676,70 15.231,71 5.547,72 36.797,73 7.904,74 0.157,75 0.591,76 13.951,77 4.908,78 33.471,79 7.103,80 0.131,81 0.499,82 11.67,83 4.155,84 29.265,85 5.908,86 0.134,87 0.453,88 10.676,89 3.614,90 28.693,91 5.166,92 0.093,93 0.396,94 9.096,95 3.133,96 20.653,97 4.549,98 0.087,99 0.337,100 7.813,101 2.588,102 17.589,103 3.755,104 12,105 17,106 0.283,107 0.648,108 0.814,109 0.879,110 0.905,111 0.905,112 2.788,113 1.014,114 -2.87,115 -2.88,116 -2.79,118 40,120 4,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 7,181 1,186 3,191 1,194 6,195 1,198 2,203 1,206 5,207 1,210 2,215 1,218 4,219 1,222 2,227 1,229 3,230 1,234 2,239 1,242 2,243 1,247 2,252 1,255 1,256 1,259 1,260 1,264 1,268 1,270 237,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 8.947,277 5.568,278 6.652,279 10.158,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.811,286 1.893,287 3.241,288 7.55,289 3.454,290 1.584,291 0.733,292 0.4,293 0.267,294 0.267,295 3.419,299 1,300 1,301 260,302 3.082,306 56.197,313 1.44,314 13.41,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 32.5,326 132,327 3.942,328 3.596,329 5.34,330 3.513,331 2.522,332 3.508,333 2.341,334 6.965,335 2.498,336 3.55,337 2.538,338 4.659,339 3.24,340 2.234,341 2.71,343 5.184,344 2.222,345 3.128,346 1.984,347 3.785,348 2.725,349 1.732,350 2.301,352 3.518,353 1.717,354 2.756,355 1.516,356 3.563,357 2.439,358 1.466,359 1.789,361 3.048,362 1.423,363 2.5,364 1.307,365 3.247,366 1.998,367 1,368 1.5,370 2.136,371 0.994,372 2.366,373 1,374 3.098,375 1.955,376 1,377 1.244,379 2.06,380 0.953,381 1.553,382 0.687,383 2.508,384 1.285,385 0.285,386 0.343,388 0.603,389 0.283,390 0.854,391 0.295,392 1.913,393 0.607,394 -0.387,395 -0.43,397 -0.844,398 -0.379,399 0.588,400 -0.112,401 1.555,402 0.144,403 -0.852,404 -1.049,406 -1.794,407 -0.82,408 0.5,409 -0.703,410 1.341,411 -0.018,412 -1,413 -1.376,415 -2,416 -0.972,417 0.333,418 -1,419 1,420 -0.027,421 -1,422 -1.5,424 -2.347,425 -0.982,426 -0.206,427 -1.035,428 1,429 -0.338,430 -1.322,431 -1.644,433 -2.968,434 -1.322,435 -0.5,436 -1.624,437 0.621,438 -0.738,439 -1.732,440 -1.929,442 -4.127,443 -1.731,444 -0.507,445 -1.828,446 0.198,447 -0.949,448 -1.948,449 -2.466,450 -0.757,451 -4.644,452 -1.931,453 -0.856,454 -2,455 0.172,456 -1.036,457 -2,458 -3,459 -1.584,460 -4.789,461 -1.953,462 7.067,463 0.471,464 0.212,465 0.014,466 17.5,467 1.167,468 9,469 0.6,470 8.5,471 0.567,472 9.525,473 0.635,474 16.933,475 0.564,476 9.887,477 0.659,478 3.543,479 0.236,480 3.745,481 0.25,482 0.094,484 0.142,487 0.768,488 1.255,489 0.902,490 1.148,491 0.712,492 1.064,493 0.451,494 1.255,495 1.007,496 1.25,497 0.397,498 1.218,499 0.873,500 1.003,501 1.013,502 1.009,503 0.913,504 1.034,505 0.841,506 0.89,507 0.961,508 0.925,509 0.853,510 0.958,511 0.951,512 0.949,513 1.007,514 0.977,515 1.005,516 1.002,517 1.098,518 0.935,519 1.059,520 0.952,521 1.071,522 0.991,523 0.878,524 0.982,525 0.977,526 0.989,527 0.823,528 0.993,529 1.023,530 0.99,531 1.003,532 0.977,533 1.009,534 0.978,535 2,536 0.037,537 0.667,538 0.313,539 0.231,540 0.146,541 0.101,542 0.043,543 0.082,544 0.066,545 1841,546 5854,547 1.925,548 50,549 6,550 4,552 2,553 1,554 2,558 1.516,559 1.837,560 3.161,561 -0.265,565 1,567 43.584,568 1.453,569 3.323,570 4.174,571 4.507,572 4.64,573 4.64,574 2.556,575 3.24,576 3.88,577 3.304,578 346.888,579 6.432,580 3126.08,582 1,585 147.207,586 1.103,587 3.857,588 0.133,589 0.007,590 0.039,591 0.022,592 0.021,593 0.015,594 0.011,595 0.005,596 0.012,597 0.009,598 0.276,599 0.83,600 1,601 2.471,602 62.289,603 -0.062,604 -0.061,605 -0.012,606 0.003,607 -0.048,609 0.21,610 -0.154,611 -0.108,612 -0.185,613 0.236,614 -0.194,615 -0.077,616 -0.056,617 -0.073,618 -0.029,619 -0.093,620 -0.05,621 -0.057,622 0.027,623 -0.014,624 0.027,625 -0.074,626 0.016,627 -0.082,628 -0.024,629 -0.053,630 -0.012,631 -0.12,632 -0.027,633 -0.125,634 0.003,635 -0.089,636 -0.008,637 -0.099,638 -0.036,639 -0.055,640 -0.032,641 -0.024,642 -0.041,643 -0.024,644 -0.027,645 -0.083,646 -0.034,647 -0.033,648 -0.043,649 -0.099,650 -0.028,651 2.383,652 3.227,653 0.4,654 10.853,655 0.998,656 1.127,657 1.645,658 2.706,659 0.641,660 2.773,661 2.89,662 2.89,663 2.944,664 2.996,665 2.708,666 2.639,667 2.565,668 2.565,669 2.398,670 5.441,671 0.605,672 205.28,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.879,680 8.641,681 9.387,682 10.15,683 3.3,693 1,699 4,700 1,704 1,706 6,724 30,726 8,728 15,730 30,731 12,733 5,736 2,739 1,740 1,751 4,753 8,754 4,756 2,761 1,763 2,765 1,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,822 2,830 1,832 1,840 15,845 1,846 4,862 6.7,864 1,865 1,869 8.167,870 5.067,871 3.583,872 1.85,874 1.667,875 1.321,876 0.88,877 5.346,878 6.865,879 3.045,880 3.418,881 3.732,882 4.129,883 4.535,884 4.276,885 4.479,886 4.456,887 4.523,888 4.523,889 0.833,890 14,891 5.502,892 -0.001,893 2.126,894 7.989,895 10.421,897 7.778,898 -0.001,899 2.489,900 37.333,901 0.003,904 164.795,905 70.233,906 16.786,908 67.828,911 70.233,912 232.624,913 16.786,915 10.138,916 37.905,917 109.066,918 21.28,920 141.253,922 164.795,923 87.019,924 67.828,927 164.795,928 67.828,931 28.233,932 23.048,933 35.738,935 164.795,936 84.614,937 70.233,940 164.795,941 14.234,942 56,944 84.614,945 164.795,946 84.614,947 70.233,949 0.532,950 0.26,951 0.127,952 0.066,953 5,954 2,955 0.2,956 6,958 1,959 2.924,960 77.557,962 6,963 58.603,968 11.606,969 6.909,970 5.763,972 84.614,973 7.419,974 3.994,978 1.079,980 42.683,981 319.643,982 20,987 10.227,989 4.062,991 -0.716,994 29.942,995 33.824,996 0.296,997 0.677,998 0.851,999 0.918,1000 0.946,1001 0.946,1002 4.151,1003 -0.387,1004 4.745,1005 0.603,1006 3.555,1007 4.094,1008 2.258,1009 5.252,1010 3.53,1011 5.254,1012 -0.852,1013 6.107,1014 -0.844,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.449,1021 -1,1022 7.56,1023 -1.794,1024 4.844,1025 5.995,1026 3.628,1027 8.47,1028 4.802,1029 7.676,1030 -1,1031 9.068,1032 -2,1033 4.615,1034 5.954,1035 4.112,1036 9.602,1037 4.585,1038 8.931,1039 -1.322,1040 10.616,1041 -2.347,1042 6.354,1043 8.161,1044 5.201,1045 12.01,1046 6.295,1047 10.207,1048 -1.732,1049 12.192,1050 -2.968,1051 6.553,1052 8.544,1053 5.889,1054 13.564,1055 6.506,1056 11.499,1057 -1.948,1058 13.789,1059 -4.127,1060 7.979,1061 10.463,1062 6.849,1063 15.714,1064 7.902,1065 2.522,1066 -2,1067 15.402,1068 -4.644,1069 8.438,1070 11.11,1071 7.625,1072 17.471,1073 8.373,1074 2.234,1075 6.965,1076 17.027,1077 -4.789,1078 9.673,1079 12.839,1080 8.526,1081 19.505,1082 9.579,1083 1.732,1084 5.184,1085 18.662,1086 3.508,1087 10.297,1088 13.664,1089 9.342,1090 21.359,1091 10.211,1092 1.466,1093 3.518,1094 20.303,1095 2.71,1096 11.412,1097 15.26,1098 10.216,1099 23.34,1100 11.301,1101 1,1102 3.048,1103 21.95,1104 2.301,1105 12.143,1106 16.209,1107 11.051,1108 25.24,1109 12.036,1110 1,1111 2.136,1112 23.602,1113 1.789,1114 13.182,1115 17.711,1116 11.912,1117 27.198,1118 13.053,1119 0.285,1120 2.06,1121 25.257,1122 1.5,1123 13.981,1124 18.745,1125 12.755,1126 29.119,1127 13.853,1128 1963,1129 3557,1130 9.822,1131 19.245,1132 20.923,1133 20.942,1134 20.666,1135 20.497,1136 20.48,1137 26.79,1138 4.682,1139 47.027,1140 20.181,1141 4.798,1142 5.596,1143 5.167,1144 4.548,1145 4.522,1146 6.508,1147 3.925,1148 11.754,1149 4.451,1150 6.737,1151 1.395,1152 1.396,1153 1.378,1154 1.366,1155 1.365,1156 1.786,1157 0.312,1158 3.135,1159 1.345,1160 3.907,1161 3.948,1162 3.838,1163 3.819,1164 7.474,1165 3.818,1166 3.727,1167 3.777,1168 3.603,1169 3.59,1170 6.351,1171 3.582,1172 3.476,1173 3.514,1174 3.368,1175 3.31,1176 4.914,1177 3.313,1178 3.146,1179 3.187,1180 3.011,1181 2.941,1182 4.33,1183 2.951,1184 2.809,1185 2.878,1186 2.639,1187 2.622,1188 3.933,1189 2.62,1190 2.739,1191 2.824,1192 2.586,1193 2.496,1194 3.793,1195 2.51,1196 2.512,1197 2.605,1198 2.261,1199 2.257,1200 3.505,1201 2.251,1202 2.214,1203 2.354,1204 1.846,1205 1.855,1206 3.161,1207 1.824,1208 0.263,1209 0.24,1210 0.356,1211 0.234,1212 0.168,1213 3.942,1214 0.234,1215 3.596,1216 0.156,1217 5.34,1218 0.464,1219 3.513,1220 0.167,1221 2.522,1222 3.508,1223 2.341,1224 6.965,1225 2.498,1226 1.881,1227 1.845,1228 2.029,1229 1.995,1230 1.313,1231 2.006,1232 1.718,1233 1.666,1234 1.924,1235 1.886,1236 1.02,1237 1.902,1238 1.438,1239 1.395,1240 1.665,1241 1.642,1242 0.836,1243 1.645,1244 1.092,1245 1.047,1246 1.351,1247 1.341,1248 0.455,1249 1.338,1250 0.79,1251 0.729,1252 1.093,1253 1.051,1254 0.201,1255 1.068,1256 0.688,1257 0.606,1258 0.996,1259 0.976,1260 0.005,1261 0.991,1262 0.498,1263 0.414,1264 0.881,1265 0.808,1267 0.845,1268 0.225,1269 0.09,1270 0.753,1271 0.63,1273 0.69,1274 3.434,1276 4.595,1278 5.922,1280 7.323,1282 8.764,1289 8.422,1290 2.846,1300 18.139,1301 43.584,1302 99.697,1303 125.207,1304 135.207,1305 139.207,1306 139.207,1307 26.356,1308 5.198,1309 50.19,1310 50.19,1311 6,1312 10.782,1313 3.17,1314 2.585,1315 31.683,1316 49,1317 38,1318 0.314,1319 118.635,1320 208.28,1321 281.229,1322 958,1324 10.933,1325 0.729,1326 0.573,1327 10.933,1328 8.595,1329 7.288,1330 0.486,1331 0.338,1332 5.026,1333 7.064,1334 4.922,1335 4.143,1336 7.288,1337 5.072,1338 5.889,1339 0.346,1340 0.196,1341 5.889,1342 3.328,1343 3.869,1344 0.228,1345 0.118,1346 3.869,1347 2.006,1348 2.815,1349 0.156,1350 0.068,1351 2.815,1352 1.232,1353 2.047,1354 0.108,1355 0.039,1356 2.047,1357 0.743,1358 0.516,1359 45.381,1360 0.319,1361 16.187,1362 0.788,1363 64,1364 211.53,1365 69.816,1366 204.165,1367 260.35,1368 188,1369 66,1370 171.779,1371 70.157,1372 174.521,1373 241.51,1374 163,1375 6.602} {0 CHEMBL31854,1 1.63,2 13.778,3 5.908,4 34.901,5 143.274,6 8.079,7 0.462,8 4.254,9 4.349,10 3.998,11 3.89,12 5.323,13 3.83,14 4.803,15 4.946,16 4.302,17 4.294,18 6.066,19 4.206,20 5.114,21 5.309,22 4.364,23 4.468,24 6.141,25 4.34,26 5.19,27 5.401,28 4.3,29 4.462,30 6.226,31 4.324,32 5.174,33 5.381,34 4.323,35 4.447,36 6.233,37 4.321,38 5.16,39 5.372,40 4.339,41 4.462,42 6.226,43 4.334,44 5.204,45 5.442,46 4.215,47 4.478,48 6.096,49 4.326,50 5.201,51 5.446,52 4.222,53 4.442,54 6.107,55 4.287,56 0.102,57 0.879,58 14.926,59 6.62,60 22.499,61 7.884,62 0.398,63 1.452,64 25.381,65 11.387,66 81.357,67 14.25,68 0.372,69 1.911,70 42.696,71 16.34,72 78.147,73 20.028,74 0.498,75 2.039,76 49.397,77 17.747,78 98.367,79 21.43,80 0.537,81 1.961,82 46.105,83 16.868,84 108.908,85 20.563,86 0.515,87 1.953,88 42.284,89 16.588,90 93.714,91 21.513,92 0.336,93 2.058,94 44.035,95 17.763,96 69.809,97 23.659,98 0.34,99 2.042,100 45.234,101 17.522,102 67.5,103 23.366,104 32,105 54,106 0.257,107 0.592,108 0.778,109 0.88,110 0.892,111 0.892,112 3.616,113 1.067,114 -5.11,115 -5,116 -4.69,118 43.1,120 7,126 1,133 2,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 20,169 1,171 1,172 3,175 3,177 3,180 27,181 1,186 7,191 5,194 29,195 1,198 10,203 5,206 23,207 1,210 7,215 3,218 25,219 1,222 10,227 4,229 26,230 1,234 8,239 3,242 22,243 2,247 9,252 4,255 18,256 4,259 9,264 6,267 12,268 4,270 2780,271 24.023,272 24.023,273 24.023,274 24.023,275 24.023,276 21.092,277 24.359,278 14.413,279 24.402,280 19.297,281 19.297,282 19.297,283 19.297,284 19.297,285 14.861,286 22.602,287 6.925,288 19.975,289 4.392,290 2.271,291 1.089,292 0.442,293 0.369,294 0.369,295 4.31,297 1,300 1,301 1051,302 4.472,306 453.466,310 174.738,313 2.259,314 44.597,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 77.333,326 496,327 4.852,328 4.686,329 7.308,330 4.315,331 3.394,332 4.7,333 2.341,334 12.509,335 3.167,336 4.505,337 3.596,338 6.708,339 4.15,340 3.153,341 4.199,342 0.68,343 10.909,344 3.073,345 3.931,346 3.339,347 5.813,348 3.611,349 2.62,350 3.457,352 8.096,353 2.596,354 3.84,355 2.913,356 5.392,357 3.395,358 2.435,359 3.395,361 7.014,362 2.357,363 3.671,364 2.893,365 5.247,366 3.288,367 2.349,368 2.994,370 6.448,371 2.221,372 3.551,373 2.548,374 5.064,375 3.238,376 2.233,377 2.712,379 6.067,380 2.156,381 3.225,382 2.219,383 4.726,384 2.976,385 2.005,386 2.44,388 5.185,389 1.928,390 3.209,391 2.048,392 4.659,393 2.822,394 1.825,395 2.348,397 4.954,398 1.819,399 3.022,400 1.918,401 4.598,402 2.584,403 1.583,404 2.135,406 4.542,407 1.581,408 2.898,409 1.707,410 3.939,411 2.509,412 1.56,413 2.017,415 3.462,416 1.414,417 2.859,418 1.525,419 3.605,420 2.39,421 1.422,422 1.918,424 3.053,425 1.372,426 2.5,427 1.304,428 3.523,429 2.078,430 1.079,431 1.5,433 2.569,434 1.076,435 2.5,436 1.026,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.247,445 1,446 3.247,447 1.956,448 1,449 1.18,451 2.136,452 0.954,453 1.983,454 1,455 3.23,456 1.71,457 0.71,458 0.862,460 1.573,461 0.708,462 17.681,463 0.491,464 0.943,465 0.026,466 45.5,467 1.264,468 24,469 0.667,470 21.5,471 0.597,472 34.917,473 0.97,474 38.719,475 0.596,476 37.062,477 1.03,478 8.575,479 0.238,480 8.739,481 0.243,482 0.116,483 0.047,484 0.255,487 0.568,488 1.15,489 0.734,490 1.076,491 0.66,492 0.915,493 0.459,494 1.106,495 0.793,496 1.004,497 0.438,498 1.026,499 0.875,500 1.065,501 1.032,502 1.058,503 0.821,504 1.044,505 1.006,506 1.043,507 1.109,508 1.109,509 1.003,510 1.049,511 1.072,512 0.989,513 0.808,514 0.92,515 1.213,516 0.998,517 0.583,518 1.043,519 0.756,520 0.999,521 0.631,522 1.054,523 0.526,524 1.013,525 0.741,526 0.949,527 0.51,528 1.028,529 0.561,530 1.019,531 0.758,532 0.946,533 0.514,534 1.01,535 8,536 0.301,537 4,538 2.375,539 2.071,540 1.167,541 0.788,542 0.547,543 0.537,544 0.375,545 19705,546 61804,547 2.049,548 44.6,549 8,550 11,552 2,553 2,554 2,555 4,558 1.778,559 1.92,560 3.727,561 0.148,567 105.967,568 1.63,569 3.751,570 4.934,571 5.58,572 5.653,573 5.653,574 3.264,575 4.427,576 5.132,577 3.933,578 2477.86,579 9.049,580 40592.3,585 391.454,586 1.493,587 5.096,588 0.205,589 0.008,590 0.074,591 0.043,592 0.04,593 0.022,594 0.015,595 0.011,596 0.011,597 0.008,598 0.438,599 0.17,600 0.88,601 1.401,602 197.716,603 0.043,604 -0.013,605 0.124,606 -0.002,607 -0.094,608 0.051,609 0.256,610 -0.028,611 0.011,612 -0.028,613 0.261,614 -0.068,615 -0.083,616 -0.04,617 -0.069,618 -0.033,619 -0.047,620 -0.051,621 -0.112,622 -0.025,623 -0.121,624 -0.064,625 -0.076,626 -0.054,627 -0.123,628 -0.005,629 -0.002,630 0.037,631 -0.145,632 -0.023,633 0.114,634 -0.068,635 0.044,636 -0.065,637 0.079,638 -0.058,639 0.025,640 -0.049,641 0.026,642 -0.018,643 0.024,644 -0.012,645 0.035,646 -0.051,647 0.057,648 -0.016,649 0.037,650 0.004,651 4.56,652 5.886,653 0.611,654 49.444,655 1.004,656 1.116,657 3.879,658 15.044,659 0.692,660 3.689,661 4.007,662 4.22,663 4.466,664 4.718,665 4.812,666 4.956,667 5.142,668 5.298,669 5.366,670 8.21,671 0.651,672 525.11,673 3.689,674 5.231,675 6.061,676 6.936,677 7.79,678 8.674,679 9.54,680 10.43,681 11.305,682 12.199,683 3.1,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 65,726 22,727 2,728 39,730 68,731 28,733 17,734 6,735 6,736 2,739 4,740 5,741 1,748 4,751 8,753 20,754 8,756 4,760 1,761 3,763 2,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,837 1,840 36,844 1,845 1,846 7,847 1,850 1,861 1,862 6.2,864 1,865 3,869 18.75,870 11.293,871 7.875,872 3.962,874 3.092,875 1.383,876 0.972,877 8.71,878 11.159,879 3.97,880 4.559,881 5.022,882 5.543,883 6.06,884 6.258,885 6.556,886 6.88,887 7.253,888 7.538,889 1,890 55,891 13.599,893 6.051,894 7.908,895 25.553,897 21.498,899 2.408,900 86.694,904 317.82,905 158.296,906 33.191,907 39.149,908 112.141,910 5.807,911 152.488,912 469.11,913 33.191,915 17.742,916 116.975,917 153.379,918 39.074,920 294.278,921 39.149,922 317.82,923 185.679,924 112.141,925 44.956,927 270.735,928 159.226,931 52.242,932 97.699,933 80.694,935 317.82,936 145.332,937 197.444,939 5.807,940 317.82,941 39.631,942 112.857,943 16.405,944 168.075,945 317.82,946 145.332,947 197.444,949 0.579,950 0.317,951 0.165,952 0.093,953 24,954 11,955 0.147,956 10,957 1,958 1.091,959 4.634,960 336.02,961 0.091,962 22,963 180.117,967 1,968 26.251,969 11.945,970 7.124,972 145.332,973 17.979,974 4.229,978 6.489,980 59.088,981 660.596,982 52,986 -3.643,987 36.603,989 4.144,991 -0.787,994 65.283,995 72.511,996 0.271,997 0.623,998 0.819,999 0.927,1000 0.939,1001 0.939,1002 5.207,1003 1.825,1004 6.061,1005 5.185,1006 4.691,1007 5.247,1008 2.35,1009 6.878,1010 4.626,1011 6.426,1012 1.583,1013 7.627,1014 4.954,1015 4.369,1016 5.223,1017 2.243,1018 8.003,1019 4.21,1020 7.755,1021 1.56,1022 9.308,1023 4.542,1024 6.323,1025 7.489,1026 3.64,1027 11.048,1028 6.181,1029 9.125,1030 1.422,1031 11.065,1032 3.462,1033 6.825,1034 8.306,1035 4.112,1036 13.051,1037 6.578,1038 10.534,1039 1.079,1040 12.873,1041 3.053,1042 8.287,1043 10.101,1044 5.203,1045 15.698,1046 8.044,1047 11.972,1048 1,1049 14.72,1050 2.569,1051 9.173,1052 11.299,1053 5.889,1054 18.023,1055 8.83,1056 13.434,1057 1,1058 16.595,1059 2.275,1060 10.454,1061 12.923,1062 6.849,1063 20.563,1064 10.093,1065 3.394,1066 0.71,1067 18.492,1068 2.136,1069 11.516,1070 14.298,1071 7.625,1072 23.002,1073 11.067,1074 3.153,1075 12.509,1076 20.405,1077 1.573,1078 12.735,1079 15.858,1080 8.526,1081 25.514,1082 12.247,1083 2.62,1084 10.909,1085 22.332,1086 4.7,1087 13.875,1088 17.315,1089 9.342,1090 27.995,1091 13.309,1092 2.435,1093 8.096,1094 24.269,1095 4.199,1096 15.076,1097 18.852,1098 10.216,1099 30.503,1100 14.459,1101 2.349,1102 7.014,1103 26.214,1104 3.457,1105 16.251,1106 20.348,1107 11.051,1108 33.002,1109 15.562,1110 2.233,1111 6.448,1112 28.166,1113 3.395,1114 17.449,1115 21.88,1116 11.912,1117 35.511,1118 16.703,1119 2.005,1120 6.067,1121 30.123,1122 2.994,1123 18.64,1124 23.395,1125 12.755,1126 38.018,1127 17.825,1128 19044,1129 33934,1130 25.83,1131 44.995,1132 58.071,1133 59.77,1134 58.8,1135 57.773,1136 57.483,1137 75.577,1138 6.042,1139 163.43,1140 55.578,1141 5.799,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.874,1149 5.167,1150 18.791,1151 1.489,1152 1.533,1153 1.508,1154 1.481,1155 1.474,1156 1.938,1157 0.155,1158 4.191,1159 1.425,1160 4.116,1161 4.123,1162 4.737,1163 4.087,1164 7.717,1165 4.035,1166 4.009,1167 4.005,1168 3.997,1169 3.984,1170 7.474,1171 3.941,1172 3.848,1173 3.89,1174 3.925,1175 3.755,1176 6.999,1177 3.756,1178 3.736,1179 3.781,1180 3.778,1181 3.62,1182 6.351,1183 3.602,1184 3.655,1185 3.672,1186 3.605,1187 3.564,1188 4.933,1189 3.521,1190 3.495,1191 3.499,1192 3.439,1193 3.398,1194 4.901,1195 3.359,1196 3.394,1197 3.427,1198 3.291,1199 3.238,1200 4.714,1201 3.241,1202 3.145,1203 3.211,1204 3.157,1205 3.01,1206 4.301,1207 2.996,1208 0.124,1209 0.12,1210 0.187,1211 0.111,1212 0.087,1213 4.852,1214 0.121,1215 4.686,1216 0.06,1217 7.308,1218 0.321,1219 4.315,1220 0.081,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.167,1226 2.047,1227 2.027,1228 2.149,1229 2.12,1230 1.465,1231 2.139,1232 1.947,1233 1.954,1234 1.973,1235 2.008,1236 1.253,1237 2.043,1238 1.833,1239 1.796,1240 1.954,1241 1.949,1242 1.182,1243 1.958,1244 1.728,1245 1.679,1246 1.944,1247 1.887,1248 1.129,1249 1.908,1250 1.59,1251 1.56,1252 1.756,1253 1.739,1254 0.916,1255 1.755,1256 1.381,1257 1.399,1258 1.581,1259 1.567,1260 0.779,1261 1.576,1262 1.356,1263 1.32,1264 1.46,1265 1.517,1266 0.695,1267 1.554,1268 1.16,1269 1.098,1270 1.368,1271 1.347,1272 0.592,1273 1.384,1274 4.369,1276 5.687,1278 7.195,1280 8.796,1282 10.449,1285 5.906,1289 8.902,1290 4.209,1291 2.864,1294 -0.199,1300 42.292,1301 105.967,1302 243.831,1303 320.699,1304 362.699,1305 367.454,1306 367.454,1307 91.9,1308 8.067,1309 96.36,1310 104.74,1311 24,1312 12.729,1313 4.524,1314 3.807,1315 61.938,1316 172,1317 190,1318 0.17,1319 266.618,1320 472.66,1321 642.309,1322 37095,1323 1.5,1324 25.545,1325 0.71,1326 0.595,1327 26.295,1328 21.433,1329 17.315,1330 0.444,1331 0.356,1332 12.073,1333 15.846,1334 11.652,1335 9.62,1336 18.424,1337 13.865,1338 16.025,1339 0.297,1340 0.207,1341 17.734,1342 11.168,1343 12.329,1344 0.184,1345 0.122,1346 13.722,1347 8.151,1348 10.113,1349 0.118,1350 0.07,1351 11.301,1352 5.986,1353 8.299,1354 0.075,1355 0.041,1356 9.408,1357 4.566,1358 0.269,1359 118.309,1360 0.197,1361 33.219,1362 0.462,1363 186,1364 542.398,1365 250.244,1366 579.182,1367 762.39,1368 532,1369 214,1370 492.464,1371 278.977,1372 547.859,1373 789.64,1374 514,1375 6.456} {0 CHEMBL318632,1 1.378,2 9,3 3.634,4 13.203,5 83.707,6 7.034,7 0.545,8 3.742,9 3.854,10 3.243,11 3.339,12 4.876,13 3.291,14 4.226,15 4.39,16 3.495,17 3.683,18 5.384,19 3.593,20 4.497,21 4.729,22 3.463,23 3.79,24 5.43,25 3.662,26 4.459,27 4.685,28 3.429,29 3.771,30 5.378,31 3.637,32 4.495,33 4.714,34 3.476,35 3.813,36 5.44,37 3.68,38 4.575,39 4.816,40 3.406,41 3.807,42 5.506,43 3.65,44 4.526,45 4.804,46 3.206,47 3.657,48 5.365,49 3.476,50 4.308,51 4.593,52 3.041,53 3.395,54 5.189,55 3.232,56 0.032,57 0.505,58 8.304,59 3.921,60 8.004,61 5.097,62 0.161,63 0.805,64 14.295,65 6.324,66 34.881,67 8.558,68 0.175,69 0.998,70 20.191,71 8.3,72 35.727,73 11.351,74 0.137,75 0.959,76 19.182,77 8.223,78 29.832,79 11.228,80 0.135,81 1.005,82 19.751,83 8.453,84 31.16,85 11.549,86 0.157,87 1.084,88 21.85,89 8.948,90 37.494,91 12.446,92 0.164,93 1.031,94 21.423,95 8.23,96 33.083,97 11.83,98 0.123,99 0.817,100 17.369,101 6.484,102 22.943,103 9.339,104 11,105 27,106 0.245,107 0.57,108 0.715,109 0.811,110 0.841,111 0.841,112 3.102,113 0.975,114 -4.16,115 -4.1,116 -3.88,118 45,120 4,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 15,169 1,172 3,175 1,177 1,180 18,181 1,186 2,191 1,194 18,195 1,198 2,203 1,206 17,207 1,210 3,215 1,218 15,219 1,222 4,227 1,229 11,230 1,234 4,239 1,242 7,243 2,247 4,252 2,255 3,256 4,259 5,264 4,267 1,268 2,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.496,277 5.568,278 9.19,279 14.442,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.255,286 1.893,287 4.421,288 11.02,289 3.944,290 2.122,291 1.31,292 0.769,293 0.6,294 0.6,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 15.274,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 189,327 4.369,328 3.596,329 6.498,330 4.006,331 3.006,332 3.943,333 2.341,334 10.173,335 3.004,336 3.736,337 3.024,338 5.247,339 3.272,340 2.278,341 3.298,343 6.4,344 2.264,345 3.55,346 2.278,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.222,354 3.278,355 1.986,356 4.22,357 2.79,358 1.802,359 2.579,361 4.049,362 1.778,363 2.781,364 1.646,365 3.654,366 2.545,367 1.555,368 1.908,370 3.193,371 1.535,372 2.748,373 1.317,374 3.555,375 2.284,376 1.317,377 1.768,379 2.88,380 1.27,381 2.5,382 1.305,383 3.319,384 2,385 1,386 1.5,388 2.252,389 1,390 2.5,391 1,392 3.247,393 1.993,394 1,395 1.5,397 2.136,398 0.989,399 2.389,400 1,401 3.247,402 1.984,403 1,404 1.288,406 2.136,407 0.983,408 1.652,409 0.726,410 2.804,411 1.442,412 0.445,413 0.52,415 1.01,416 0.441,417 0.959,418 0.423,419 2.198,420 0.74,421 -0.263,422 -0.286,424 -0.58,425 -0.26,426 0.719,427 0.026,428 2.191,429 0.285,430 -0.705,431 -0.952,433 -1.547,434 -0.697,435 0.578,436 -0.703,437 1.555,438 0.133,439 -0.878,440 -1.062,442 -1.954,443 -0.856,444 0.5,445 -0.705,446 1.555,448 -1,449 -1.386,451 -2,452 -0.946,453 0.5,454 -1,455 1.54,456 -0.018,457 -1,458 -1.5,460 -2.347,461 -0.982,462 10.067,463 0.479,464 0.315,465 0.015,466 27,467 1.286,468 15,469 0.714,470 12,471 0.571,472 14.682,473 0.699,474 22.333,475 0.558,476 17.721,477 0.844,478 5.429,479 0.259,480 4.841,481 0.231,482 0.066,484 0.199,487 0.748,488 1.092,489 0.864,490 1.016,491 0.706,492 0.966,493 0.455,494 1.135,495 0.984,496 1.134,497 0.409,498 1.122,499 0.856,500 0.869,501 0.971,502 0.909,503 0.886,504 0.949,505 0.714,506 0.956,507 0.972,508 1.002,509 0.768,510 1.022,511 0.718,512 1.047,513 1.017,514 1.067,515 0.771,516 1.083,517 0.721,518 1.115,519 1.067,520 1.116,521 0.717,522 1.134,523 0.63,524 1.034,525 0.991,526 1.022,527 0.58,528 1.041,529 0.661,530 0.999,531 0.882,532 0.984,533 0.613,534 0.955,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 12250,547 2.023,548 47.5,549 6,550 8,552 2,553 1,554 2,558 1.634,559 1.938,560 3.146,561 -0.385,563 1,565 1,567 55.108,568 1.378,569 3.2,570 4.012,571 4.553,572 4.722,573 4.722,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,581 1,582 1,583 1,584 1,585 212.877,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.83,600 1,601 1.787,602 95.963,603 -0.05,604 -0.003,605 0.008,606 0.038,607 -0.048,608 0.029,609 0.196,610 -0.081,611 -0.089,612 -0.113,613 0.214,614 -0.131,615 -0.083,616 0.104,617 -0.024,618 0.088,619 -0.089,620 0.047,621 -0.044,622 0.004,623 -0.042,624 0.01,625 -0.069,626 -0.013,627 -0.051,628 -0.073,629 -0.092,630 -0.058,631 -0.084,632 -0.079,633 -0.046,634 -0.147,635 -0.127,636 -0.128,637 -0.048,638 -0.139,639 -0.007,640 -0.064,641 -0.031,642 -0.062,643 -0.02,644 -0.051,645 0.055,646 -0.035,647 0.098,648 -0.036,649 0.038,650 0.029,651 2.392,652 3.517,653 0.571,654 17.946,655 0.993,656 1.116,657 2.927,658 8.566,659 0.669,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.63,672 281.38,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 2.5,693 1,699 9,700 1,704 2,706 12,724 40,726 14,727 1,728 22,730 41,731 18,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 19,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 21,845 1,846 4,862 5,864 1,865 1,869 10.833,870 6.9,871 4.889,872 2.475,874 2.08,875 1.342,876 0.93,877 5.866,878 8.16,879 3.434,880 3.912,881 4.388,882 4.9,883 5.393,884 5.389,885 5.772,886 5.989,887 6.124,888 6.196,889 0.833,890 26,891 7.722,893 3.099,894 7.817,895 14.799,897 11.574,899 2.317,900 48.667,904 211.88,905 114.51,906 16.786,908 67.828,911 114.51,912 279.708,913 16.786,915 10.138,916 75.81,917 109.066,918 27.652,920 188.338,922 211.88,923 131.295,924 67.828,927 211.88,928 67.828,931 28.233,932 76.8,933 26.262,935 211.88,936 84.614,937 114.51,940 211.88,941 20.605,942 93.905,944 84.614,945 211.88,946 84.614,947 114.51,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.171,956 7,958 1,959 3.422,960 144.194,962 12,963 84.239,968 15.148,969 8.132,970 4.977,972 84.614,973 17.788,974 4.058,978 2.302,980 42.683,981 411.003,982 30,987 10.517,989 2.187,991 0.449,994 39.709,995 44.654,996 0.259,997 0.601,998 0.754,999 0.856,1000 0.887,1001 0.887,1002 4.585,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.595,1008 2.258,1009 5.964,1010 3.992,1011 5.732,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.977,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.635,1026 3.628,1027 9.798,1028 5.421,1029 8.261,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.557,1038 9.582,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.963,1044 5.201,1045 14.116,1046 7.165,1047 10.931,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.779,1056 12.303,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.446,1062 6.849,1063 18.633,1064 9.102,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.967,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 14.023,1080 8.526,1081 23.227,1082 11.158,1083 2.234,1084 6.4,1085 20.712,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.147,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.66,1098 10.216,1099 27.849,1100 13.283,1101 1.555,1102 4.049,1103 24.406,1104 2.711,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.331,1110 1.317,1111 3.193,1112 26.261,1113 2.579,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.444,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.52,1128 4310,1129 7400,1130 14.792,1131 26.767,1132 31.732,1133 31.98,1134 31.811,1135 31.29,1136 31.277,1137 42.029,1138 4.682,1139 78.826,1140 30.973,1141 5.227,1142 5.596,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.004,1150 8.506,1151 1.442,1152 1.454,1153 1.446,1154 1.422,1155 1.422,1156 1.91,1157 0.213,1158 3.583,1159 1.408,1160 3.997,1161 4.026,1162 3.939,1163 3.944,1164 7.474,1165 3.939,1166 3.788,1167 3.827,1168 3.715,1169 3.704,1170 6.351,1171 3.702,1172 3.725,1173 3.774,1174 3.598,1175 3.585,1176 4.924,1177 3.577,1178 3.457,1179 3.492,1180 3.353,1181 3.291,1182 4.744,1183 3.297,1184 3.139,1185 3.176,1186 3.028,1187 2.948,1188 4.261,1189 2.961,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.935,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.674,1201 2.715,1202 2.807,1203 2.87,1204 2.621,1205 2.59,1206 3.674,1207 2.591,1208 0.199,1209 0.163,1210 0.295,1211 0.182,1212 0.137,1213 4.369,1214 0.179,1215 3.596,1216 0.106,1217 6.498,1218 0.462,1219 4.006,1220 0.137,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.004,1226 1.977,1227 1.952,1228 2.084,1229 2.05,1230 1.326,1231 2.063,1232 1.783,1233 1.748,1234 1.958,1235 1.895,1236 1.15,1237 1.915,1238 1.716,1239 1.664,1240 1.9,1241 1.885,1242 0.945,1243 1.895,1244 1.414,1245 1.372,1246 1.639,1247 1.621,1248 0.83,1249 1.621,1250 1.081,1251 1.042,1252 1.303,1253 1.313,1254 0.43,1255 1.305,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.764,1269 0.708,1270 1.071,1271 1.048,1272 0.193,1273 1.058,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1289 8.656,1290 2.71,1300 25.192,1301 55.108,1302 128.006,1303 160.471,1304 182.122,1305 188.877,1306 188.877,1307 35.536,1308 6.08,1309 50.19,1310 50.19,1311 12,1312 11.739,1313 3.907,1314 3.17,1315 39.153,1316 65,1317 79,1318 0.274,1319 160.013,1320 280.9,1321 382.193,1322 2704,1324 14.916,1325 0.71,1326 0.567,1327 14.916,1328 11.905,1329 10.271,1330 0.467,1331 0.325,1332 7.103,1333 10.044,1334 6.948,1335 5.816,1336 10.271,1337 7.149,1338 8.492,1339 0.315,1340 0.18,1341 8.492,1342 4.859,1343 6.33,1344 0.198,1345 0.102,1346 6.33,1347 3.269,1348 5.09,1349 0.131,1350 0.057,1351 5.09,1352 2.219,1353 4.034,1354 0.088,1355 0.032,1356 4.034,1357 1.473,1358 0.428,1359 63.28,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 279.53,1365 103.816,1366 275.283,1367 365.59,1368 256,1369 108,1370 254.779,1371 111.99,1372 260.918,1373 369.92,1374 246,1375 4} {0 CHEMBL318899,1 1.423,2 7.316,3 2.721,4 7.405,5 74.505,6 7.451,7 0.6,8 3.595,9 3.698,10 3.148,11 3.205,12 4.793,13 3.171,14 4.045,15 4.191,16 3.41,17 3.538,18 5.294,19 3.469,20 4.293,21 4.498,22 3.379,23 3.632,24 5.323,25 3.529,26 4.249,27 4.453,28 3.34,29 3.597,30 5.291,31 3.491,32 4.271,33 4.47,34 3.387,35 3.647,36 5.28,37 3.538,38 4.395,39 4.631,40 3.357,41 3.643,42 5.378,43 3.514,44 4.343,45 4.599,46 3.231,47 3.421,48 5.479,49 3.305,50 4.064,51 4.303,52 2.88,53 2.916,54 5.462,55 2.845,56 0.022,57 0.423,58 6.493,59 3.194,60 8.133,61 3.985,62 0.137,63 0.665,64 11.002,65 5.043,66 33.129,67 6.593,68 0.145,69 0.818,70 15.801,71 6.621,72 35.339,73 8.715,74 0.123,75 0.787,76 14.988,77 6.36,78 29.8,79 8.419,80 0.081,81 0.824,82 14.874,83 6.535,84 22.359,85 8.782,86 0.095,87 0.934,88 17.781,89 7.22,90 24.345,91 10.008,92 0.115,93 0.849,94 17.946,95 6.671,96 31.618,97 9.163,98 0.321,99 0.577,100 14.647,101 4.625,102 61.141,103 5.726,104 9,105 25,106 0.262,107 0.575,108 0.725,109 0.843,110 0.873,111 0.873,112 3.01,113 0.922,114 -3.68,115 -3.64,116 -3.47,118 47.1,120 2,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 1,186 3,191 1,194 15,195 1,198 3,203 1,206 14,207 1,210 4,215 1,218 12,219 2,222 5,227 2,229 7,230 3,234 4,235 1,239 3,242 2,243 3,246 1,247 3,250 1,252 3,256 1,259 1,264 1,270 522,271 12.949,272 12.949,273 12.949,274 12.949,275 12.949,276 11.082,277 4,278 8.19,279 13.02,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.255,286 1.696,287 3.924,288 10.014,289 3.665,290 1.967,291 1.152,292 0.515,293 0.353,294 0.353,295 3.671,298 1,299 1,300 1,301 285,302 3.162,306 134.519,313 1.069,314 14.964,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 40.5,326 139,327 4.369,328 3.598,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.002,336 3.736,337 3.022,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.552,346 2.278,347 4.661,348 3.23,349 2.224,350 2.724,352 5.186,353 2.211,354 3.262,355 1.917,356 4.196,357 2.733,358 1.748,359 2.556,361 3.959,362 1.719,363 2.781,364 1.555,365 3.555,366 2.302,367 1.317,368 1.908,370 2.88,371 1.296,372 2.638,373 1.317,374 3.481,375 2.241,376 1.246,377 1.615,379 2.699,380 1.234,381 2.5,382 1,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 1.891,400 0.864,401 3,402 1.549,403 0.551,404 0.704,406 1.313,407 0.547,408 0.951,409 0.461,410 2.239,411 0.66,412 -0.343,413 -0.388,415 -0.788,416 -0.339,417 0.719,418 0.032,419 2.198,420 0.277,421 -0.705,422 -0.952,424 -1.547,425 -0.688,426 0.531,427 -0.705,428 1.555,429 0.034,430 -1,431 -1.263,433 -2,434 -0.933,435 0.5,436 -0.841,437 1.555,439 -1,440 -1.5,442 -2.254,443 -0.974,444 0.5,445 -1,446 1.415,447 -0.025,448 -1,449 -1.5,451 -2.347,452 -1,453 0.271,454 -1,455 1.046,456 -0.058,457 -1,458 -1.509,460 -2.347,461 -1.025,462 9.067,463 0.477,464 0.315,465 0.017,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 11.528,473 0.607,474 19.733,475 0.58,476 17.087,477 0.899,478 5.429,479 0.286,480 3.842,481 0.202,482 0.074,484 0.221,487 0.749,488 1.043,489 0.807,490 0.955,491 0.72,492 0.902,493 0.458,494 1.087,495 0.939,496 1.084,497 0.431,498 1.076,499 0.903,500 0.93,501 1.004,502 0.941,503 0.957,504 0.983,505 0.821,506 0.97,507 1.001,508 0.981,509 0.806,510 1.014,511 0.598,512 1.12,513 1.005,514 1.106,515 0.595,516 1.114,517 0.576,518 1.129,519 0.983,520 1.121,521 0.534,522 1.105,523 0.893,524 1.086,525 0.9,526 1.08,527 0.797,528 0.997,529 2.065,530 0.851,531 1.146,532 0.898,533 2.193,534 0.901,535 2.5,537 1.556,538 1,539 0.382,540 0.194,541 0.362,542 0.26,543 0.107,544 0.063,545 3008,546 9224,547 2.025,548 44.1,549 2,550 8,552 2,553 1,554 2,558 1.609,559 1.932,560 2.918,561 -0.353,563 1,565 1,567 48.37,568 1.423,569 3.121,570 3.936,571 4.572,572 4.735,573 4.735,574 2.249,575 2.945,576 4.216,577 3.056,578 522.578,579 7.214,580 5309.53,581 1,582 1,584 1,585 172.974,586 1.19,587 4.196,588 0.125,590 0.062,591 0.042,592 0.017,593 0.008,594 0.016,595 0.014,596 0.01,597 0.016,598 0.31,599 0.83,600 1,601 1.46,602 82.218,603 -0.061,605 0.004,606 0.046,607 -0.077,608 0.034,609 0.2,610 -0.057,611 -0.089,612 -0.098,613 0.198,614 -0.126,615 -0.104,616 0.037,617 -0.072,618 0.047,619 -0.131,621 -0.083,623 -0.078,624 0.008,625 -0.064,626 -0.029,627 -0.031,628 -0.134,629 -0.113,630 -0.117,631 -0.05,632 -0.127,633 0.02,634 -0.138,635 -0.044,636 -0.153,637 0.005,638 -0.112,639 0.054,640 -0.127,641 0.121,642 -0.127,643 0.124,644 -0.01,645 0.003,646 0.063,647 0.017,648 0.023,649 -0.052,650 0.016,651 2.449,652 3.612,653 0.632,654 13.762,655 0.998,656 1.112,657 2.446,658 5.983,659 0.684,660 3.045,661 3.258,662 3.434,663 3.638,664 3.807,665 3.714,666 3.807,667 3.714,668 3.497,669 3.219,670 4.84,671 0.651,672 253.32,673 3.045,674 4.511,675 5.303,676 6.129,677 6.948,678 7.786,679 8.618,680 9.461,681 10.3,682 11.146,683 2.9,693 1,699 9,700 1,704 2,706 12,724 34,726 14,727 1,728 20,730 35,731 16,733 11,734 1,735 5,736 2,739 2,740 2,751 2,753 14,754 2,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 19,845 1,846 2,862 5.9,864 1,865 1,869 9.833,870 5.9,871 4.389,872 1.975,874 2.127,875 1.359,876 0.935,877 4.598,878 8.056,879 3.367,880 3.871,881 4.363,882 4.885,883 5.393,884 5.402,885 5.815,886 6.019,887 6.124,888 6.196,889 0.8,890 24,891 6.97,893 2.821,894 7.904,895 13.166,897 10.241,899 2.404,900 45.667,901 0.001,904 164.795,905 109.44,906 16.786,908 67.828,911 109.44,912 232.624,913 16.786,915 5.069,916 75.81,917 109.066,918 27.652,920 141.253,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 23.164,932 76.8,933 26.262,935 164.795,936 84.614,937 109.44,940 164.795,941 15.536,942 93.905,944 84.614,945 164.795,946 84.614,947 109.44,949 0.55,950 0.297,951 0.164,952 0.092,953 10,954 4,955 0.143,956 5,958 1,959 3.172,960 128.425,962 12,963 76.711,968 13.191,969 6.623,970 3.869,972 84.614,973 17.299,974 4.117,978 2.069,980 42.683,981 358.85,982 28,987 10.612,989 1.959,991 0.241,994 33.942,995 37.824,996 0.28,997 0.613,998 0.774,999 0.899,1000 0.931,1001 0.931,1002 4.522,1003 1,1004 5.22,1005 2.136,1006 3.932,1007 4.554,1008 2.258,1009 5.922,1010 3.915,1011 5.685,1012 0.551,1013 6.701,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.941,1021 -0.343,1022 8.294,1023 1.313,1024 5.389,1025 6.619,1026 3.628,1027 9.788,1028 5.365,1029 8.235,1030 -0.705,1031 9.964,1032 -0.788,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.563,1039 -1,1040 11.687,1041 -1.547,1042 7.155,1043 8.958,1044 5.201,1045 14.114,1046 7.129,1047 10.917,1048 -1,1049 13.449,1050 -2,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.292,1057 -1,1058 15.239,1059 -2.254,1060 9.105,1061 11.445,1062 6.849,1063 18.633,1064 9.079,1065 3.006,1066 -1,1067 17.049,1068 -2.347,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.874,1077 -2.347,1078 11.167,1079 14.023,1080 8.526,1081 23.227,1082 11.142,1083 2.224,1084 6.4,1085 20.711,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.137,1092 1.748,1093 5.186,1094 22.555,1095 3.298,1096 13.294,1097 16.66,1098 10.216,1099 27.849,1100 13.269,1101 1.317,1102 3.959,1103 24.406,1104 2.724,1105 14.342,1106 17.883,1107 11.051,1108 30.154,1109 14.319,1110 1.246,1111 2.88,1112 26.261,1113 2.556,1114 15.456,1115 19.336,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.699,1121 28.12,1122 1.908,1123 16.531,1124 20.618,1125 12.755,1126 34.795,1127 16.506,1128 3084,1129 5466,1130 13.405,1131 23.245,1132 29.256,1133 29.404,1134 29.265,1135 28.753,1136 28.744,1137 39.497,1138 4.682,1139 73.765,1140 28.444,1141 5.122,1142 5.598,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.002,1150 7.689,1151 1.463,1152 1.47,1153 1.463,1154 1.438,1155 1.437,1156 1.975,1157 0.234,1158 3.688,1159 1.422,1160 3.994,1161 4.022,1162 3.938,1163 3.94,1164 7.474,1165 3.936,1166 3.788,1167 3.828,1168 3.716,1169 3.704,1170 6.351,1171 3.702,1172 3.65,1173 3.687,1174 3.548,1175 3.495,1176 4.923,1177 3.496,1178 3.285,1179 3.304,1180 3.209,1181 3.119,1182 4.74,1183 3.135,1184 2.894,1185 2.937,1186 2.748,1187 2.735,1188 4.219,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.675,1194 3.808,1195 2.69,1196 2.769,1197 2.85,1198 2.626,1199 2.621,1200 3.674,1201 2.61,1202 2.67,1203 2.741,1204 2.538,1205 2.487,1206 3.674,1207 2.497,1208 0.218,1209 0.18,1210 0.325,1211 0.2,1212 0.15,1213 4.369,1214 0.197,1215 3.598,1216 0.117,1217 6.498,1218 0.509,1219 4.005,1220 0.15,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.002,1226 1.973,1227 1.949,1228 2.076,1229 2.048,1230 1.231,1231 2.058,1232 1.783,1233 1.747,1234 1.916,1235 1.893,1236 1.045,1237 1.904,1238 1.619,1239 1.575,1240 1.831,1241 1.807,1242 0.925,1243 1.812,1244 1.217,1245 1.192,1246 1.394,1247 1.426,1248 0.494,1249 1.406,1250 0.886,1251 0.821,1252 1.181,1253 1.101,1254 0.218,1255 1.107,1256 0.831,1257 0.79,1258 1.101,1259 1.062,1260 0.18,1261 1.101,1262 0.764,1263 0.701,1264 1.042,1265 0.986,1266 0.109,1267 1.008,1268 0.658,1269 0.58,1270 0.948,1271 0.871,1273 0.906,1274 3.714,1276 4.949,1278 6.385,1280 7.913,1282 9.491,1289 8.726,1290 0.644,1300 22.139,1301 48.37,1302 106.103,1303 133.812,1304 155.464,1305 160.974,1306 160.974,1307 29.572,1308 5.93,1309 50.19,1310 50.19,1311 12,1312 11.709,1313 3.907,1314 3.17,1315 33.353,1316 50,1317 57,1318 0.308,1319 140.829,1320 246.3,1321 335.382,1322 2148,1324 13.502,1325 0.711,1326 0.552,1327 13.502,1328 10.49,1329 9.271,1330 0.464,1331 0.307,1332 6.103,1333 9.047,1334 5.967,1335 4.986,1336 9.271,1337 6.149,1338 7.785,1339 0.311,1340 0.166,1341 7.785,1342 4.158,1343 5.83,1344 0.194,1345 0.092,1346 5.83,1347 2.764,1348 4.743,1349 0.128,1350 0.051,1351 4.743,1352 1.882,1353 3.746,1354 0.085,1355 0.028,1356 3.746,1357 1.246,1358 0.466,1359 57.28,1360 0.273,1361 18.985,1362 0.892,1363 90,1364 271.53,1365 95.816,1366 267.091,1367 354.11,1368 248,1369 100,1370 246.779,1371 104.157,1372 252.891,1373 358.86,1374 238,1375 6.347} {0 CHEMBL318937,1 1.37,2 9,3 3.031,4 9.189,5 85.53,6 6.839,7 0.545,8 3.76,9 3.891,10 3.24,11 3.355,12 4.866,13 3.301,14 4.247,15 4.425,16 3.486,17 3.702,18 5.315,19 3.604,20 4.516,21 4.754,22 3.468,23 3.804,24 5.442,25 3.67,26 4.487,27 4.733,28 3.43,29 3.776,30 5.371,31 3.636,32 4.503,33 4.735,34 3.476,35 3.812,36 5.423,37 3.676,38 4.583,39 4.838,40 3.401,41 3.808,42 5.488,43 3.649,44 4.521,45 4.801,46 3.195,47 3.679,48 5.335,49 3.491,50 4.336,51 4.626,52 3.025,53 3.453,54 5.161,55 3.271,56 0.04,57 0.552,58 8.777,59 3.855,60 8.306,61 5.3,62 0.12,63 0.852,64 14.914,65 6.433,66 23.723,67 8.967,68 0.164,69 1.039,70 20.598,71 8.283,72 32.818,73 11.606,74 0.135,75 1.016,76 19.908,77 8.132,78 26.379,79 11.525,80 0.132,81 1.048,82 20.058,83 8.201,84 27.412,85 11.605,86 0.165,87 1.121,88 22.15,89 8.61,90 34.708,91 12.379,92 0.148,93 1.027,94 21.042,95 8.2,96 28.633,97 11.91,98 0.114,99 0.837,100 17.59,101 6.788,102 20.39,103 9.887,104 11,105 27,106 0.243,107 0.574,108 0.728,109 0.83,110 0.871,111 0.871,112 3.102,113 0.984,114 -3.75,115 -3.71,116 -3.53,118 43.9,120 4,133 1,134 1,140 7,141 2,143 2,154 1,159 1,160 1,161 1,168 15,172 3,174 1,175 1,177 1,180 17,183 1,186 3,191 1,194 17,196 1,198 3,203 1,206 16,208 1,210 4,215 1,218 15,220 1,222 4,227 1,229 12,232 1,234 3,239 1,242 8,245 1,247 3,252 2,255 4,257 2,259 3,264 3,267 1,269 3,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.496,277 5.768,278 9.19,279 14.405,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.255,286 2.189,287 4.421,288 10.97,289 3.988,290 2.119,291 1.248,292 0.671,293 0.439,294 0.439,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 13.295,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44,326 189,327 4.369,328 3.514,329 6.498,330 4.005,331 3.006,332 3.943,333 1.886,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.279,345 3.55,346 2.278,347 4.659,348 3.261,349 2.234,350 2.711,352 5.184,353 2.259,354 3.278,355 1.985,356 4.22,357 2.793,358 1.802,359 2.579,361 4.049,362 1.785,363 2.781,364 1.646,365 3.654,366 2.551,367 1.555,368 1.908,370 3.193,371 1.547,372 2.748,373 1.317,374 3.555,375 2.3,376 1.317,377 1.768,379 2.88,380 1.293,381 2.5,382 1.305,383 3.319,384 2.002,385 1,386 1.5,388 2.252,389 1,390 2.5,391 1,392 3.247,393 2,394 1,395 1.5,397 2.136,398 0.999,399 2.389,400 1,401 3.247,402 1.956,403 1,404 1.288,406 2.136,407 0.953,408 1.652,409 0.696,410 2.804,411 1.447,412 0.445,413 0.52,415 1.01,416 0.445,417 0.959,418 0.314,419 2.198,420 0.742,421 -0.263,422 -0.286,424 -0.58,425 -0.262,426 0.719,427 -0.157,428 2.191,429 0.277,430 -0.705,431 -0.952,433 -1.547,434 -0.688,435 0.578,436 -0.705,437 1.555,438 0.13,439 -0.878,440 -1.062,442 -1.954,443 -0.864,444 0.5,445 -0.742,446 1.555,447 0.032,448 -1,449 -1.386,451 -2,452 -0.974,453 0.5,454 -1,455 1.54,457 -1,458 -1.5,460 -2.347,461 -1,462 10.133,463 0.483,464 0.315,465 0.015,466 27,467 1.286,468 15,469 0.714,470 12,471 0.571,472 14.801,473 0.705,474 22.267,475 0.543,476 17.602,477 0.838,478 5.405,479 0.257,480 4.866,481 0.232,482 0.072,484 0.197,487 0.738,488 1.081,489 0.899,490 1.001,491 0.695,492 0.965,493 0.558,494 1.115,495 1.002,496 1.138,497 0.493,498 1.117,499 1.035,500 0.917,501 1.001,502 0.949,503 1.088,504 0.974,505 0.76,506 0.937,507 0.95,508 0.969,509 0.772,510 0.978,511 0.791,512 1.043,513 1.018,514 1.058,515 0.801,516 1.061,517 0.87,518 1.041,519 1.084,520 1.066,521 0.778,522 1.088,523 0.693,524 0.998,525 1.022,526 1.045,527 0.628,528 1.059,529 0.637,530 0.989,531 0.899,532 1.005,533 0.614,534 0.979,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 11214,547 2.023,548 48.8,549 6,550 8,552 2,553 2,554 2,558 1.634,559 1.938,560 3.146,561 0.237,563 1,565 1,567 56.162,568 1.37,569 3.239,570 4.11,571 4.687,572 4.919,573 4.919,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,581 1,582 1,584 1,585 219.66,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.83,600 1,601 1.787,602 95.963,603 -0.055,604 0.061,605 0.01,606 0.053,607 -0.052,608 0.042,609 0.125,610 -0.058,611 -0.081,612 -0.104,613 0.144,614 -0.111,615 -0.106,616 0.05,617 -0.039,618 0.052,619 -0.116,620 0.017,621 -0.041,622 0.03,623 -0.001,624 0.035,625 -0.055,626 0.022,627 -0.057,628 -0.056,629 -0.074,630 -0.053,631 -0.084,632 -0.064,633 -0.086,634 -0.061,635 -0.126,636 -0.088,637 -0.065,638 -0.107,639 -0.027,640 -0.056,641 -0.065,642 -0.07,643 -0.041,644 -0.07,645 0.064,646 -0.069,647 0.068,648 -0.035,649 0.035,650 0.011,651 1.894,652 3.738,653 0.571,654 17.946,655 0.987,656 1.121,657 2.521,658 6.354,659 0.666,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.622,672 280.4,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 4.9,690 1,693 1,699 9,700 1,704 2,706 12,724 41,726 14,727 1,728 22,730 42,731 18,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 20,773 3,774 2,775 3,779 2,784 1,785 1,795 1,802 2,815 1,822 1,823 1,832 2,840 21,841 1,846 4,862 2.4,865 1,869 10.833,870 7.033,871 4.889,872 2.508,874 2.08,875 1.342,876 0.961,877 5.866,878 8.16,879 3.434,880 3.912,881 4.388,882 4.9,883 5.393,884 5.389,885 5.772,886 5.989,887 6.124,888 6.196,889 0.833,890 26,891 7.717,893 3.078,894 7.722,895 14.891,897 11.645,899 2.222,900 46.667,901 0.001,903 1,904 211.88,905 118.304,906 49.683,908 25.145,911 118.304,912 237.025,913 49.683,915 43.035,916 75.81,917 70.177,918 27.652,920 188.338,922 211.88,923 167.987,924 25.145,927 211.88,928 25.145,931 61.13,932 80.595,933 26.262,935 211.88,936 74.828,937 118.304,940 211.88,941 24.4,942 93.905,944 74.828,945 211.88,946 74.828,947 118.304,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.167,956 7,958 1,959 3.422,960 144.194,962 12,963 88.239,968 15.148,969 8.132,970 4.977,972 74.828,973 17.941,974 4.197,978 2.291,980 32.897,981 405.012,982 30,987 10.738,989 2.216,991 0.956,994 40.483,995 45.943,996 0.256,997 0.605,998 0.767,999 0.875,1000 0.918,1001 0.918,1002 4.585,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.595,1008 1.906,1009 5.964,1010 4,1011 5.732,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.951,1017 1.593,1018 6.676,1019 3.238,1020 6.977,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.635,1026 2.857,1027 9.798,1028 5.433,1029 8.261,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.861,1035 2.98,1036 11.516,1037 5.58,1038 9.582,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.963,1044 3.972,1045 14.116,1046 7.176,1047 10.931,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.651,1053 4.33,1054 16.209,1055 7.794,1056 12.303,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.446,1062 5.163,1063 18.633,1064 9.11,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 12.406,1071 5.648,1072 20.866,1073 9.973,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 14.023,1080 6.39,1081 23.227,1082 11.161,1083 2.234,1084 6.4,1085 20.712,1086 3.943,1087 12.157,1088 15.147,1089 6.944,1090 25.512,1091 12.148,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.66,1098 7.637,1099 27.849,1100 13.28,1101 1.555,1102 4.049,1103 24.406,1104 2.711,1105 14.341,1106 17.883,1107 8.228,1108 30.154,1109 14.326,1110 1.317,1111 3.193,1112 26.261,1113 2.579,1114 15.456,1115 19.335,1116 8.895,1117 32.481,1118 15.436,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 9.506,1126 34.795,1127 16.51,1128 4310,1129 7074,1130 14.792,1131 27.319,1132 31.732,1133 31.999,1134 31.811,1135 31.258,1136 31.277,1137 42.029,1138 3.772,1139 78.826,1140 31.121,1141 5.227,1142 5.514,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 3.272,1148 16.907,1149 5.001,1150 8.506,1151 1.442,1152 1.454,1153 1.446,1154 1.421,1155 1.422,1156 1.91,1157 0.171,1158 3.583,1159 1.415,1160 3.996,1161 4.025,1162 3.939,1163 3.942,1164 7.437,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.705,1170 4.925,1171 3.702,1172 3.734,1173 3.789,1174 3.607,1175 3.593,1176 4.881,1177 3.585,1178 3.479,1179 3.534,1180 3.367,1181 3.317,1182 4.74,1183 3.32,1184 3.175,1185 3.24,1186 3.048,1187 2.999,1188 4.249,1189 3.005,1190 2.858,1191 2.955,1192 2.687,1193 2.735,1194 3.918,1195 2.715,1196 2.854,1197 2.925,1198 2.653,1199 2.647,1200 3.793,1201 2.641,1202 2.769,1203 2.852,1204 2.621,1205 2.617,1206 3.674,1207 2.606,1208 0.199,1209 0.16,1210 0.295,1211 0.182,1212 0.137,1213 4.369,1214 0.179,1215 3.514,1216 0.086,1217 6.498,1218 0.462,1219 4.005,1220 0.136,1221 3.006,1222 3.943,1223 1.886,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.083,1229 2.05,1230 1.327,1231 2.062,1232 1.784,1233 1.748,1234 1.961,1235 1.901,1236 1.148,1237 1.922,1238 1.724,1239 1.669,1240 1.904,1241 1.891,1242 0.944,1243 1.899,1244 1.442,1245 1.393,1246 1.664,1247 1.658,1248 0.839,1249 1.659,1250 1.141,1251 1.086,1252 1.374,1253 1.371,1254 0.467,1255 1.382,1256 0.886,1257 0.821,1258 1.188,1259 1.118,1260 0.225,1261 1.154,1262 0.85,1263 0.763,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.767,1269 0.7,1270 1.054,1271 0.988,1272 0.11,1273 1.013,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1288 5.154,1290 3.175,1300 25.499,1301 56.162,1302 132.789,1303 168.498,1304 192.15,1305 201.66,1306 201.66,1307 34.022,1308 6.08,1309 55.98,1310 55.98,1311 12,1312 11.739,1313 3.907,1314 3.17,1315 39.153,1316 65,1317 79,1318 0.274,1319 162.811,1320 283.11,1321 389.02,1322 2704,1324 14.916,1325 0.71,1326 0.573,1327 14.916,1328 12.035,1329 10.271,1330 0.467,1331 0.328,1332 7.174,1333 10.08,1334 7.005,1335 5.88,1336 10.271,1337 7.214,1338 8.492,1339 0.315,1340 0.183,1341 8.492,1342 4.938,1343 6.33,1344 0.198,1345 0.103,1346 6.33,1347 3.283,1348 5.09,1349 0.131,1350 0.057,1351 5.09,1352 2.232,1353 4.034,1354 0.088,1355 0.032,1356 4.034,1357 1.482,1358 0.428,1359 62.991,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 256.693,1365 102.629,1366 257.62,1367 345.95,1368 240,1369 108,1370 244.594,1371 111.494,1372 252.809,1373 357.28,1374 238,1375 6.398} {0 CHEMBL319769,1 1.358,2 9.818,3 4.09,4 16.726,5 88.308,6 6.87,7 0.522,8 3.808,9 3.924,10 3.288,11 3.399,12 4.916,13 3.346,14 4.305,15 4.477,16 3.535,17 3.747,18 5.424,19 3.65,20 4.586,21 4.827,22 3.51,23 3.852,24 5.488,25 3.715,26 4.554,27 4.795,28 3.476,29 3.824,30 5.441,31 3.684,32 4.568,33 4.797,34 3.52,35 3.858,36 5.49,37 3.722,38 4.644,39 4.894,40 3.449,41 3.854,42 5.537,43 3.696,44 4.582,45 4.85,46 3.257,47 3.725,48 5.459,49 3.546,50 4.4,51 4.683,52 3.032,53 3.521,54 5.203,55 3.331,56 0.037,57 0.546,58 9.187,59 4.281,60 8.048,61 5.642,62 0.171,63 0.874,64 15.865,65 6.948,66 35.063,67 9.505,68 0.179,69 1.086,70 22.21,71 9.089,72 35.471,73 12.591,74 0.16,75 1.056,76 21.418,77 8.836,78 31.339,79 12.286,80 0.154,81 1.087,82 21.555,83 8.91,84 32.3,85 12.368,86 0.19,87 1.166,88 23.663,89 9.303,90 38.152,91 13.139,92 0.193,93 1.072,94 22.555,95 8.697,96 40.08,97 12.356,98 0.146,99 0.883,100 18.84,101 7.358,102 27.662,103 10.539,104 12,105 28,106 0.238,107 0.557,108 0.721,109 0.84,110 0.878,111 0.878,112 3.145,113 0.998,114 -4.39,115 -4.32,116 -4.08,118 44.2,120 5,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 18,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 4,215 1,218 16,219 1,222 4,227 1,229 13,230 1,234 3,239 1,242 10,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 4,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 5.568,278 9.69,279 15.141,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 1.893,287 4.671,288 11.514,289 4.069,290 2.252,291 1.318,292 0.64,293 0.419,294 0.419,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 15.809,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 216,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.241,349 2.235,350 2.71,352 5.184,353 2.223,354 3.279,355 1.999,356 4.223,357 2.821,358 1.828,359 2.58,361 4.066,362 1.813,363 2.792,364 1.687,365 3.73,366 2.625,367 1.634,368 1.908,370 3.366,371 1.616,372 2.781,373 1.438,374 3.555,375 2.301,376 1.317,377 1.814,379 2.88,380 1.294,381 2.503,382 1.317,383 3.4,384 2.169,385 1.172,386 1.5,388 2.524,389 1.165,390 2.5,391 1,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.956,403 1,404 1.439,406 2.136,407 0.954,408 1.932,409 0.901,410 3,411 1.669,412 0.671,413 0.815,415 1.531,416 0.667,417 1.234,418 0.531,419 2.459,420 1.097,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.254,428 2.198,429 0.448,430 -0.555,431 -0.615,433 -1.223,434 -0.547,435 0.719,436 -0.293,437 1.879,438 0.276,439 -0.705,440 -0.952,442 -1.547,443 -0.689,444 0.5,445 -0.705,446 1.555,447 0.031,448 -1,449 -1.213,451 -2,452 -0.938,453 0.5,454 -0.868,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.974,462 10.567,463 0.48,464 0.315,465 0.014,466 27.5,467 1.25,468 15,469 0.682,470 12.5,471 0.568,472 16.293,473 0.741,474 23.633,475 0.55,476 18.022,477 0.819,478 5.429,479 0.247,480 5.342,481 0.243,482 0.063,484 0.189,487 0.749,488 1.113,489 0.889,490 1.041,491 0.701,492 0.992,493 0.455,494 1.154,495 1.004,496 1.155,497 0.407,498 1.142,499 0.822,500 0.927,501 0.953,502 0.935,503 0.853,504 0.958,505 0.742,506 0.955,507 0.948,508 0.964,509 0.753,510 0.98,511 0.762,512 1.06,513 1.011,514 1.046,515 0.775,516 1.057,517 0.805,518 1.06,519 1.071,520 1.053,521 0.778,522 1.083,523 0.827,524 1.011,525 1.064,526 1.027,527 0.776,528 1.062,529 0.658,530 0.954,531 0.97,532 0.989,533 0.645,534 1.008,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 13821,547 2.022,548 48.8,549 8,550 8,552 2,553 1,554 2,558 1.645,559 1.941,560 3.247,561 -0.399,563 1,567 58.38,568 1.358,569 3.174,570 4.108,571 4.787,572 5.008,573 5.008,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,582 1,584 1,585 233.329,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.67,600 1,601 1.936,602 103.058,603 -0.046,604 -0.003,605 0.009,606 0.035,607 -0.037,608 0.028,609 0.194,610 -0.091,611 -0.092,612 -0.12,613 0.214,614 -0.135,615 -0.058,616 0.047,617 -0.002,618 0.063,619 -0.067,620 0.04,621 -0.04,622 0.02,623 -0.004,624 0.036,625 -0.051,626 0.022,627 -0.053,628 -0.067,629 -0.071,630 -0.044,631 -0.075,632 -0.059,633 -0.072,634 -0.066,635 -0.119,636 -0.079,637 -0.091,638 -0.1,639 -0.067,640 -0.042,641 -0.102,642 -0.064,643 -0.053,644 -0.082,645 -0.007,646 -0.005,647 -0.013,648 -0.024,649 -0.026,650 -0.018,651 2.379,652 3.491,653 0.545,654 20.182,655 0.991,656 1.118,657 3.159,658 9.98,659 0.663,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.621,672 295.41,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 2.3,693 1,699 9,700 1,704 2,706 12,724 43,726 14,727 1,728 23,730 44,731 19,733 11,734 1,735 5,736 2,739 2,740 2,751 5,753 14,754 5,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 22,845 1,846 5,862 4.7,864 1,865 1,869 11.333,870 7.4,871 5.139,872 2.725,874 2.058,875 1.335,876 0.928,877 6.534,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.101,893 3.242,894 7.78,895 15.616,897 12.241,899 2.28,900 50.167,903 1,904 235.422,905 117.044,906 16.786,908 67.828,911 117.044,912 303.25,913 16.786,915 12.673,916 75.81,917 109.066,918 27.652,920 211.88,922 235.422,923 133.83,924 67.828,927 235.422,928 67.828,931 30.767,932 76.8,933 26.262,935 235.422,936 84.614,937 117.044,940 235.422,941 23.139,942 93.905,944 84.614,945 235.422,946 84.614,947 117.044,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.182,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 16.129,969 8.912,970 5.583,972 84.614,973 17.943,974 4.202,978 2.292,980 42.683,981 437.08,982 31,987 10.491,989 2.229,991 0.475,994 42.592,995 48.069,996 0.25,997 0.585,998 0.757,999 0.882,1000 0.923,1001 0.923,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 2.258,1009 5.984,1010 4.028,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 3.628,1027 9.804,1028 5.445,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 5.201,1045 14.116,1046 7.176,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 6.849,1063 18.633,1064 9.103,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 8.526,1081 23.227,1082 11.153,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 10.216,1099 27.849,1100 13.273,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 11.912,1117 32.481,1118 15.431,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 5050,1129 8488,1130 15.485,1131 28.529,1132 32.928,1133 33.228,1134 32.962,1135 32.499,1136 32.478,1137 43.225,1138 4.682,1139 81.215,1140 32.178,1141 5.256,1142 5.596,1143 6.322,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 8.884,1151 1.432,1152 1.445,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.204,1158 3.531,1159 1.399,1160 3.997,1161 4.026,1162 3.939,1163 3.942,1164 7.474,1165 3.938,1166 3.789,1167 3.828,1168 3.716,1169 3.705,1170 6.351,1171 3.703,1172 3.748,1173 3.801,1174 3.614,1175 3.615,1176 4.924,1177 3.604,1178 3.521,1179 3.562,1180 3.406,1181 3.367,1182 4.74,1183 3.366,1184 3.242,1185 3.278,1186 3.129,1187 3.075,1188 4.257,1189 3.08,1190 2.95,1191 3.005,1192 2.781,1193 2.744,1194 3.997,1195 2.747,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.8,1201 2.715,1202 2.772,1203 2.853,1204 2.627,1205 2.625,1206 3.674,1207 2.612,1208 0.19,1209 0.156,1210 0.283,1211 0.174,1212 0.131,1213 4.369,1214 0.171,1215 3.596,1216 0.102,1217 6.498,1218 0.442,1219 4.005,1220 0.13,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.085,1229 2.05,1230 1.359,1231 2.063,1232 1.786,1233 1.749,1234 1.985,1235 1.913,1236 1.171,1237 1.938,1238 1.745,1239 1.691,1240 1.908,1241 1.892,1242 0.985,1243 1.901,1244 1.495,1245 1.448,1246 1.73,1247 1.69,1248 0.918,1249 1.699,1250 1.202,1251 1.161,1252 1.429,1253 1.413,1254 0.589,1255 1.412,1256 0.912,1257 0.859,1258 1.197,1259 1.164,1260 0.348,1261 1.173,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.77,1269 0.704,1270 1.053,1271 0.99,1272 0.113,1273 1.015,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.637,1290 3.898,1300 26.719,1301 58.38,1302 136.484,1303 176.658,1304 205.82,1305 215.329,1306 215.329,1307 39.093,1308 6.151,1309 50.19,1310 50.19,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 169.606,1320 298.2,1321 405.598,1322 3028,1324 15.623,1325 0.71,1326 0.573,1327 15.623,1328 12.612,1329 10.771,1330 0.468,1331 0.333,1332 7.603,1333 10.547,1334 7.438,1335 6.235,1336 10.771,1337 7.649,1338 8.845,1339 0.316,1340 0.186,1341 8.845,1342 5.219,1343 6.58,1344 0.199,1345 0.106,1346 6.58,1347 3.501,1348 5.267,1349 0.132,1350 0.06,1351 5.267,1352 2.386,1353 4.159,1354 0.088,1355 0.034,1356 4.159,1357 1.584,1358 0.411,1359 66.28,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 283.53,1365 107.816,1366 279.576,1367 371.39,1368 260,1369 112,1370 258.779,1371 116.157,1372 265.375,1373 376.12,1374 250,1375 7.538} {0 CHEMBL319791,1 1.493,2 9.625,3 4.787,4 22.913,5 98.869,6 7.848,7 0.615,8 3.836,9 3.933,10 3.495,11 3.511,12 4.961,13 3.442,14 4.327,15 4.47,16 3.842,17 3.899,18 5.475,19 3.786,20 4.577,21 4.784,22 3.811,23 3.984,24 5.526,25 3.83,26 4.544,27 4.752,28 3.768,29 3.952,30 5.469,31 3.787,32 4.518,33 4.714,34 3.746,35 3.928,36 5.464,37 3.773,38 4.55,39 4.753,40 3.701,41 3.932,42 5.523,43 3.787,44 4.549,45 4.762,46 3.585,47 3.901,48 5.469,49 3.743,50 4.555,51 4.802,52 3.477,53 3.79,54 5.463,55 3.621,56 0.029,57 0.531,58 8.563,59 4.263,60 7.962,61 5.224,62 0.156,63 0.889,64 15.871,65 7.329,66 34.265,67 9.141,68 0.177,69 1.135,70 24.879,71 10.162,72 35.147,73 12.408,74 0.161,75 1.111,76 25.076,77 10.109,78 30.879,79 12.207,80 0.173,81 1.102,82 25.763,83 9.824,84 29.811,85 11.693,86 0.168,87 1.12,88 23.659,89 9.486,90 31.997,91 11.716,92 0.125,93 1.113,94 23.036,95 9.517,96 25.304,97 12.167,98 0.128,99 1.125,100 23.647,101 9.395,102 24.468,103 12.325,104 11,105 34,106 0.258,107 0.605,108 0.771,109 0.882,110 0.906,111 0.906,112 3.228,113 1.023,114 -4.54,115 -4.47,116 -4.2,118 46.5,120 4,133 1,134 1,140 7,141 2,143 2,150 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 17,195 1,198 2,203 1,206 15,207 1,210 4,215 1,218 16,219 1,222 3,227 1,229 15,230 1,234 4,239 1,242 13,243 1,247 4,252 1,255 8,256 3,259 3,260 1,264 3,267 4,268 2,270 1004,271 16.466,272 16.466,273 16.466,274 16.466,275 16.466,276 14.212,277 5.568,278 10.244,279 16.701,280 12.903,281 12.903,282 12.903,283 12.903,284 12.903,285 9.574,286 1.893,287 4.937,288 13.309,289 3.934,290 1.927,291 0.969,292 0.326,293 0.186,294 0.186,295 3.914,299 1,300 1,301 492,302 3.606,305 53.187,306 155.536,309 104.798,313 1.406,314 16.935,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 50.5,326 231,327 4.538,328 3.596,329 6.559,330 4.068,331 3.115,332 4.44,333 2.341,334 10.439,335 2.978,336 4.191,337 3.124,338 6.127,339 3.737,340 2.758,341 3.781,343 8.99,344 2.687,345 3.553,346 2.77,347 5.137,348 3.24,349 2.235,350 2.986,352 5.984,353 2.222,354 3.54,355 2.111,356 4.659,357 3.045,358 2.082,359 2.71,361 5.184,362 1.997,363 3.085,364 1.889,365 4.414,366 2.665,367 1.679,368 2.321,370 4.312,371 1.649,372 3.032,373 1.532,374 4.129,375 2.495,376 1.532,377 2.298,379 3.784,380 1.483,381 2.781,382 1.532,383 3.641,384 2.455,385 1.495,386 1.91,388 3.135,389 1.402,390 2.749,391 1.311,392 3.593,393 2.281,394 1.309,395 1.772,397 2.9,398 1.265,399 2.5,400 1.303,401 3.38,402 1.988,403 1,404 1.5,406 2.296,407 0.98,408 2.386,409 1,410 3.247,411 1.955,412 1,413 1.282,415 2.136,416 0.952,417 1.847,418 0.72,419 3,420 1.417,421 0.428,422 0.521,424 0.993,425 0.419,426 1.642,427 0.409,428 2.84,429 1.262,430 0.347,431 0.503,433 0.86,434 0.311,435 0.931,436 0.347,437 2.316,438 0.715,439 -0.28,440 -0.305,442 -0.63,443 -0.276,444 0.719,445 0.015,446 2.192,447 0.227,448 -0.739,449 -1.016,451 -1.728,452 -0.705,453 0.603,454 -0.703,455 2,456 0.144,457 -0.845,458 -1.081,460 -1.974,461 -0.811,462 11.9,463 0.496,464 0.435,465 0.018,466 31,467 1.292,468 17,469 0.708,470 14,471 0.583,472 19.074,473 0.795,474 24.7,475 0.574,476 20.077,477 0.837,478 5.92,479 0.247,480 5.817,481 0.242,482 0.056,484 0.252,487 0.735,488 0.955,489 0.761,490 0.846,491 0.695,492 0.861,493 0.455,494 0.989,495 0.874,496 0.947,497 0.399,498 0.996,499 0.865,500 0.896,501 1.031,502 0.937,503 0.881,504 0.94,505 0.799,506 0.96,507 1.146,508 1.041,509 0.786,510 0.996,511 0.844,512 1.082,513 1.322,514 1.202,515 0.822,516 1.058,517 0.882,518 1.034,519 1.122,520 1.05,521 0.797,522 1.058,523 0.642,524 1.147,525 1.091,526 1.14,527 0.601,528 1.168,529 0.626,530 1.106,531 0.94,532 1.052,533 0.566,534 1.091,535 3.5,536 0.13,537 2,538 1.354,539 0.778,540 0.535,541 0.348,542 0.161,543 0.223,544 0.122,545 6319,546 18244,547 2.089,548 44.2,549 6,550 8,552 2,553 1,554 2,558 1.673,559 2,560 3.241,561 -0.383,567 64.18,568 1.493,569 3.499,570 4.458,571 5.101,572 5.24,573 5.24,574 2.669,575 3.403,576 4.549,577 3.434,578 947.907,579 7.876,580 11420.9,582 1,585 233.329,586 1.189,587 4.536,588 0.135,589 0.01,590 0.059,591 0.042,592 0.026,593 0.018,594 0.012,595 0.006,596 0.01,597 0.006,598 0.323,599 0.33,600 1,601 1.636,602 114.475,603 -0.05,604 0.04,605 0.048,606 0.086,607 -0.049,608 0.056,609 0.189,610 0.015,611 0.037,612 0.029,613 0.209,614 -0.047,615 -0.078,616 0.084,617 0.014,618 0.1,619 -0.083,620 0.06,621 -0.066,622 0.031,623 -0.029,624 0.04,625 -0.073,626 0.015,627 -0.074,628 -0.068,629 -0.135,630 -0.085,631 -0.091,632 -0.052,633 -0.109,634 -0.033,635 -0.139,636 -0.06,637 -0.07,638 -0.081,639 -0.047,640 -0.171,641 -0.179,642 -0.183,643 -0.051,644 -0.182,645 0.023,646 -0.127,647 -0.046,648 -0.127,649 0.013,650 -0.097,651 2.393,652 3.617,653 0.625,654 22.5,655 0.995,656 1.106,657 3.311,658 10.963,659 0.707,660 3.296,661 3.555,662 3.784,663 4.043,664 4.234,665 4.29,666 4.431,667 4.522,668 4.466,669 4.443,670 6.001,671 0.66,672 337.47,673 3.296,674 4.796,675 5.617,676 6.469,677 7.318,678 8.185,679 9.048,680 9.923,681 10.796,682 11.677,683 2.3,693 1,698 2,699 9,700 1,703 1,704 2,706 16,724 43,726 18,727 1,728 26,730 45,731 20,733 13,734 2,735 4,736 2,739 3,740 4,751 4,753 16,754 4,756 2,761 1,763 1,765 2,772 19,773 3,774 1,775 4,776 1,779 1,784 0.667,785 2,795 1,801 1,802 2,805 1,818 1,822 1,823 1,830 1,832 2,834 1,840 24,845 1,846 4,856 1,862 4.7,864 1,865 1,869 12,870 7.567,871 5.417,872 2.676,874 2.936,875 1.432,876 0.971,877 5.63,878 9.727,879 3.611,880 4.186,881 4.768,882 5.38,883 5.905,884 6.213,885 6.659,886 7.05,887 7.169,888 7.483,889 1,890 32,891 8.846,893 3.667,894 7.743,895 17.087,897 13.914,899 2.243,900 53.833,903 1,904 211.88,905 147.279,906 16.786,908 67.828,910 31.278,911 116.001,912 279.708,913 16.786,915 10.138,916 75.81,917 109.066,918 27.039,919 2.104,920 219.615,922 211.88,923 132.787,924 67.828,925 31.278,927 211.88,928 67.828,931 28.233,932 78.292,933 26.262,934 31.278,935 211.88,936 84.614,937 147.279,940 211.88,941 53.374,942 93.905,944 84.614,945 211.88,946 84.614,947 147.279,949 0.559,950 0.308,951 0.17,952 0.093,953 15,954 6,955 0.156,956 7,957 1,958 1.133,959 3.708,960 186.156,961 0.133,962 15,963 110.039,964 1,968 16.693,969 8.095,970 4.448,971 2.52,972 84.614,973 18.268,974 4.239,977 1.779,978 2.324,980 42.683,981 443.772,982 36,987 10.617,989 2.212,991 0.454,994 42.785,995 47.574,996 0.275,997 0.645,998 0.821,999 0.94,1000 0.966,1001 0.966,1002 4.796,1003 1.309,1004 5.557,1005 3.135,1006 4.234,1007 4.871,1008 2.258,1009 6.308,1010 4.17,1011 5.984,1012 1,1013 7.067,1014 2.9,1015 3.611,1016 4.527,1017 2.243,1018 7.111,1019 3.501,1020 7.269,1021 1,1022 8.687,1023 2.296,1024 5.746,1025 7.07,1026 3.628,1027 10.237,1028 5.619,1029 8.596,1030 0.428,1031 10.376,1032 2.136,1033 6.019,1034 7.647,1035 4.112,1036 11.968,1037 5.827,1038 9.96,1039 0.347,1040 12.113,1041 0.993,1042 7.571,1043 9.601,1044 5.201,1045 14.575,1046 7.368,1047 11.352,1048 -0.28,1049 13.884,1050 0.86,1051 8.285,1052 10.634,1053 5.889,1054 16.66,1055 8.012,1056 12.766,1057 -0.739,1058 15.679,1059 -0.63,1060 9.583,1061 12.326,1062 6.849,1063 19.09,1064 9.293,1065 3.115,1066 -0.845,1067 17.492,1068 -1.728,1069 10.514,1070 13.589,1071 7.625,1072 21.316,1073 10.157,1074 2.758,1075 10.439,1076 19.317,1077 -1.974,1078 11.703,1079 15.161,1080 8.526,1081 23.682,1082 11.319,1083 2.235,1084 8.99,1085 21.151,1086 4.44,1087 12.736,1088 16.537,1089 9.342,1090 25.966,1091 12.291,1092 2.082,1093 5.984,1094 22.993,1095 3.781,1096 13.881,1097 18.055,1098 10.216,1099 28.31,1100 13.402,1101 1.679,1102 5.184,1103 24.84,1104 2.986,1105 14.962,1106 19.486,1107 11.051,1108 30.621,1109 14.427,1110 1.532,1111 4.312,1112 26.691,1113 2.71,1114 16.091,1115 20.983,1116 11.912,1117 32.958,1118 15.517,1119 1.495,1120 3.784,1121 28.546,1122 2.321,1123 17.195,1124 22.441,1125 12.755,1126 35.282,1127 16.569,1128 6209,1129 10630,1130 17.682,1131 30.415,1132 38.459,1133 38.665,1134 38.68,1135 37.954,1136 37.962,1137 52.047,1138 4.682,1139 102.024,1140 36.688,1141 5.397,1142 5.596,1143 6.361,1144 5.176,1145 5.115,1146 7.44,1147 3.925,1148 17.414,1149 4.978,1150 9.332,1151 1.479,1152 1.487,1153 1.488,1154 1.46,1155 1.46,1156 2.002,1157 0.18,1158 3.924,1159 1.411,1160 4.096,1161 4.103,1162 4.337,1163 4.125,1164 7.474,1165 4.072,1166 3.874,1167 3.91,1168 3.822,1169 3.798,1170 6.351,1171 3.796,1172 3.727,1173 3.777,1174 3.603,1175 3.59,1176 4.937,1177 3.582,1178 3.505,1179 3.537,1180 3.483,1181 3.404,1182 4.838,1183 3.387,1184 3.319,1185 3.349,1186 3.321,1187 3.205,1188 4.341,1189 3.183,1190 3.059,1191 3.098,1192 3.001,1193 2.9,1194 4.076,1195 2.901,1196 2.899,1197 2.947,1198 2.879,1199 2.85,1200 3.861,1201 2.803,1202 2.806,1203 2.874,1204 2.638,1205 2.622,1206 3.782,1207 2.62,1208 0.175,1209 0.138,1210 0.252,1211 0.156,1212 0.12,1213 4.538,1214 0.171,1215 3.596,1216 0.09,1217 6.559,1218 0.401,1219 4.068,1220 0.115,1221 3.115,1222 4.44,1223 2.341,1224 10.439,1225 2.978,1226 1.924,1227 1.904,1228 2.034,1229 2.004,1230 1.321,1231 2.014,1232 1.899,1233 1.876,1234 1.997,1235 1.964,1236 1.137,1237 1.986,1238 1.719,1239 1.667,1240 1.922,1241 1.886,1242 1.072,1243 1.902,1244 1.519,1245 1.496,1246 1.67,1247 1.657,1248 0.839,1249 1.666,1250 1.297,1251 1.267,1252 1.456,1253 1.45,1254 0.675,1255 1.472,1256 1.016,1257 0.975,1258 1.25,1259 1.224,1260 0.366,1261 1.231,1262 0.947,1263 0.929,1264 1.094,1265 1.038,1266 0.27,1267 1.082,1268 0.79,1269 0.729,1270 1.089,1271 1.015,1272 0.194,1273 1.056,1274 3.97,1276 5.242,1277 2.398,1278 6.703,1279 4.727,1280 8.257,1281 6.843,1282 9.862,1289 8.737,1290 2.685,1300 28.379,1301 64.18,1302 150.459,1303 191.678,1304 219.329,1305 225.329,1306 225.329,1307 37.136,1308 6.791,1309 50.19,1310 78.43,1311 17,1312 12.215,1313 4.248,1314 3.459,1315 39.1,1316 79,1317 100,1318 0.225,1319 180.008,1320 308.11,1321 430.98,1322 6882,1324 16.778,1325 0.699,1326 0.589,1327 17.131,1328 14.129,1329 11.737,1330 0.451,1331 0.341,1332 8.077,1333 11.057,1334 7.826,1335 6.508,1336 12.145,1337 8.868,1338 10.13,1339 0.298,1340 0.198,1341 10.772,1342 6.731,1343 7.957,1344 0.185,1345 0.116,1346 8.763,1347 5.006,1348 6.657,1349 0.119,1350 0.068,1351 7.583,1352 3.79,1353 5.291,1354 0.078,1355 0.038,1356 6.108,1357 2.594,1358 0.35,1359 76.16,1360 0.238,1361 23.545,1362 0.626,1363 120,1364 330.391,1365 151.439,1366 346.96,1367 469.53,1368 324,1369 137,1370 320.522,1371 164.54,1372 344.147,1373 497.76,1374 325,1375 5.886} {0 CHEMBL320009,1 1.342,2 10.08,3 4.542,4 20.63,5 100.158,6 7.205,7 0.63,8 3.893,9 4,10 3.427,11 3.525,12 5.019,13 3.478,14 4.385,15 4.538,16 3.72,17 3.897,18 5.526,19 3.816,20 4.666,21 4.881,22 3.732,23 4.026,24 5.619,25 3.909,26 4.662,27 4.884,28 3.663,29 3.996,30 5.587,31 3.865,32 4.663,33 4.886,34 3.667,35 3.99,36 5.594,37 3.86,38 4.692,39 4.926,40 3.647,41 3.983,42 5.628,43 3.849,44 4.658,45 4.894,46 3.591,47 3.952,48 5.549,49 3.809,50 4.628,51 4.877,52 3.516,53 3.865,54 5.533,55 3.716,56 0.036,57 0.565,58 9.226,59 4.447,60 8.233,61 5.744,62 0.168,63 0.928,64 16.074,65 7.352,66 34.43,67 9.844,68 0.172,69 1.198,70 23.203,71 9.984,72 35.31,73 13.48,74 0.157,75 1.195,76 23.17,77 10,78 32.985,79 13.62,80 0.158,81 1.203,82 23.237,83 9.92,84 34.24,85 13.534,86 0.188,87 1.252,88 24.279,89 9.966,90 38.23,91 13.695,92 0.145,93 1.213,94 23.265,95 9.804,96 28.605,97 13.608,98 0.124,99 1.173,100 22.887,101 9.496,102 24.441,103 13.282,104 11,105 35,106 0.229,107 0.55,108 0.721,109 0.849,110 0.889,111 0.904,112 3.267,113 0.95,114 -4.91,115 -4.81,116 -4.52,118 47.8,120 4,133 1,134 1,140 9,141 4,143 2,154 1,163 1,167 1,168 20,169 1,172 3,175 1,177 1,180 25,181 1,186 3,191 1,194 26,195 1,198 3,203 1,206 23,207 1,210 4,215 1,218 21,219 1,222 4,227 1,229 19,230 1,234 4,239 1,242 16,243 2,247 5,252 2,255 11,256 3,259 4,260 1,264 3,267 6,268 3,270 1115,271 17.173,272 17.173,273 17.173,274 17.173,275 17.173,276 14.79,277 5.568,278 10.686,279 17.243,280 13.386,281 13.386,282 13.386,283 13.386,284 13.386,285 9.899,286 1.893,287 5.13,288 13.486,289 4.181,290 2.295,291 1.289,292 0.538,293 0.304,294 0.217,295 3.954,299 1,300 1,301 534,302 3.606,306 226.22,310 118.384,313 1.456,314 17.379,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 52.5,326 252,327 4.481,328 3.596,329 6.524,330 4.065,331 3.066,332 4.364,333 2.341,334 10.284,335 3.064,336 4.23,337 3.078,338 6.132,339 3.785,340 2.787,341 3.83,343 9.015,344 2.783,345 3.606,346 2.795,347 5.204,348 3.24,349 2.235,350 3.088,352 6.238,353 2.222,354 3.55,355 2.159,356 4.659,357 3.137,358 2.149,359 2.71,361 5.184,362 2.123,363 3.123,364 1.929,365 4.432,366 2.703,367 1.707,368 2.427,370 4.399,371 1.698,372 3.118,373 1.618,374 4.15,375 2.618,376 1.618,377 2.359,379 3.851,380 1.618,381 2.858,382 1.546,383 3.642,384 2.486,385 1.501,386 2.023,388 3.141,389 1.477,390 2.756,391 1.368,392 3.607,393 2.356,394 1.365,395 1.792,397 2.966,398 1.35,399 2.5,400 1.307,401 3.4,402 2.033,403 1.038,404 1.5,406 2.375,407 1.03,408 2.426,409 1,410 3.247,411 1.956,412 1,413 1.35,415 2.136,416 0.953,417 2.16,418 0.797,419 3.158,420 1.697,421 0.697,422 0.994,424 1.589,425 0.697,426 1.658,427 0.65,428 2.855,429 1.439,430 0.44,431 0.523,433 1.017,434 0.437,435 1.076,436 0.42,437 2.442,438 0.769,439 -0.234,440 -0.262,442 -0.528,443 -0.232,444 0.882,445 0.034,446 2.192,447 0.482,448 -0.512,449 -0.706,451 -1.21,452 -0.507,453 0.86,454 -0.481,455 2.159,456 0.382,457 -0.618,458 -0.927,460 -1.598,461 -0.618,462 12.067,463 0.483,464 0.435,465 0.017,466 33.5,467 1.34,468 19,469 0.76,470 14.5,471 0.58,472 18.296,473 0.732,474 25.733,475 0.559,476 23.352,477 0.934,478 6.635,479 0.265,480 5.602,481 0.224,482 0.055,484 0.249,487 0.735,488 1.011,489 0.831,490 0.946,491 0.702,492 0.908,493 0.451,494 1.058,495 0.946,496 1.059,497 0.409,498 1.054,499 0.824,500 0.92,501 0.965,502 0.934,503 0.857,504 0.963,505 0.732,506 0.989,507 1.001,508 1.009,509 0.758,510 1.033,511 0.75,512 1.023,513 1.002,514 1.016,515 0.772,516 1.035,517 0.821,518 0.986,519 1.026,520 0.978,521 0.753,522 1.013,523 0.617,524 1.063,525 1.02,526 1.059,527 0.583,528 1.076,529 0.575,530 1.112,531 0.972,532 1.099,533 0.549,534 1.078,535 3.5,536 0.103,537 2.222,538 1.125,539 0.907,540 0.5,541 0.363,542 0.205,543 0.234,544 0.159,545 7051,546 19037,547 2.085,548 45.7,549 6,550 10,552 2,553 1,554 2,558 1.684,559 2,560 3.303,561 -0.435,567 61.738,568 1.342,569 3.229,570 4.235,571 4.985,572 5.219,573 5.306,574 2.744,575 4.244,576 4.608,577 3.486,578 1045.69,579 7.996,580 12953.7,582 1,585 254.084,586 1.164,587 4.597,588 0.13,589 0.007,590 0.063,591 0.032,592 0.028,593 0.016,594 0.012,595 0.007,596 0.009,597 0.007,598 0.311,599 0.5,600 1,601 1.592,602 120.995,603 -0.045,604 0.023,605 0.02,606 0.056,607 -0.051,608 0.045,609 0.188,610 -0.037,611 -0.065,612 -0.067,613 0.203,614 -0.088,615 -0.072,616 0.054,617 -0.023,618 0.061,619 -0.079,620 0.029,621 -0.051,622 -0.019,623 -0.06,624 -0.014,625 -0.073,626 -0.036,627 -0.049,628 -0.045,629 -0.058,630 -0.026,631 -0.08,632 -0.042,633 -0.075,634 0.012,635 -0.068,636 -0.002,637 -0.054,638 -0.028,639 -0.025,640 -0.072,641 -0.076,642 -0.077,643 -0.037,644 -0.081,645 0.041,646 -0.127,647 -0.014,648 -0.121,649 0.019,650 -0.079,651 2.397,652 3.64,653 0.64,654 23.984,655 0.991,656 1.11,657 3.679,658 13.534,659 0.685,660 3.332,661 3.584,662 3.807,663 4.043,664 4.277,665 4.29,666 4.443,667 4.554,668 4.605,669 4.489,670 6.171,671 0.646,672 331.44,673 3.332,674 4.828,675 5.645,676 6.491,677 7.332,678 8.19,679 9.044,680 9.908,681 10.77,682 11.639,683 2.2,693 1,698 2,699 11,700 1,704 2,706 17,724 46,726 19,727 2,728 27,730 48,731 22,733 15,734 3,735 7,736 2,739 3,740 4,751 4,753 18,754 4,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,802 3,806 1,818 1,822 1,823 1,830 1,832 2,840 25,845 1,846 4,862 4.3,864 1,865 1,869 12.5,870 8.067,871 5.667,872 2.871,874 3.195,875 1.464,876 0.967,877 5.713,878 10.084,879 3.651,880 4.22,881 4.796,882 5.387,883 5.984,884 6.247,885 6.72,886 7.125,887 7.495,888 7.573,889 0.857,890 35,891 9.209,893 3.801,894 7.74,895 17.762,897 14.365,899 2.24,900 56,903 1,904 235.422,905 138.608,906 16.786,908 67.828,911 138.608,912 303.25,913 16.786,915 10.138,916 94.762,917 109.066,918 32.797,920 211.88,922 235.422,923 155.393,924 67.828,927 235.422,928 67.828,931 28.233,932 100.899,933 26.262,935 235.422,936 84.614,937 138.608,940 235.422,941 25.751,942 112.857,944 84.614,945 235.422,946 84.614,947 138.608,949 0.558,950 0.309,951 0.169,952 0.094,953 15,954 6,955 0.146,956 7,957 1,958 1.125,959 3.784,960 196.654,961 0.125,962 16,963 116.096,968 17.07,969 8.367,970 4.62,971 2.43,972 84.614,973 22.439,974 4.242,978 2.237,980 42.683,981 458.644,982 37.5,987 10.64,989 2.197,991 0.417,994 45.592,995 51.069,996 0.243,997 0.585,998 0.767,999 0.903,1000 0.945,1001 0.961,1002 4.83,1003 1.365,1004 5.58,1005 3.141,1006 4.263,1007 4.905,1008 2.258,1009 6.319,1010 4.25,1011 6.015,1012 1.038,1013 7.084,1014 2.966,1015 3.611,1016 4.527,1017 2.243,1018 7.111,1019 3.604,1020 7.295,1021 1,1022 8.698,1023 2.375,1024 5.765,1025 7.096,1026 3.628,1027 10.223,1028 5.748,1029 8.616,1030 0.697,1031 10.382,1032 2.136,1033 5.994,1034 7.61,1035 4.112,1036 11.933,1037 5.986,1038 9.972,1039 0.44,1040 12.114,1041 1.589,1042 7.566,1043 9.598,1044 5.201,1045 14.53,1046 7.548,1047 11.355,1048 -0.234,1049 13.879,1050 1.017,1051 8.238,1052 10.567,1053 5.889,1054 16.594,1055 8.229,1056 12.76,1057 -0.512,1058 15.669,1059 -0.528,1060 9.545,1061 12.281,1062 6.849,1063 19.012,1064 9.528,1065 3.066,1066 -0.618,1067 17.476,1068 -1.21,1069 10.441,1070 13.489,1071 7.625,1072 21.219,1073 10.43,1074 2.787,1075 10.284,1076 19.296,1077 -1.598,1078 11.628,1079 15.069,1080 8.526,1081 23.571,1082 11.613,1083 2.235,1084 9.015,1085 21.124,1086 4.364,1087 12.633,1088 16.401,1089 9.342,1090 25.837,1091 12.621,1092 2.149,1093 6.238,1094 22.96,1095 3.83,1096 13.77,1097 17.917,1098 10.216,1099 28.166,1100 13.754,1101 1.707,1102 5.184,1103 24.802,1104 3.088,1105 14.827,1106 19.313,1107 11.051,1108 30.459,1109 14.813,1110 1.618,1111 4.399,1112 26.647,1113 2.71,1114 15.944,1115 20.799,1116 11.912,1117 32.78,1118 15.928,1119 1.501,1120 3.851,1121 28.496,1122 2.427,1123 17.026,1124 22.229,1125 12.755,1126 35.087,1127 17.011,1128 6918,1129 11437,1130 18.375,1131 31.529,1132 39.598,1133 40.078,1134 39.8,1135 39.209,1136 39.203,1137 53.92,1138 4.682,1139 104.389,1140 38.902,1141 5.339,1142 5.596,1143 6.326,1144 5.101,1145 5.066,1146 7.364,1147 3.925,1148 17.111,1149 5.064,1150 9.603,1151 1.467,1152 1.484,1153 1.474,1154 1.452,1155 1.452,1156 1.997,1157 0.173,1158 3.866,1159 1.441,1160 4.103,1161 4.124,1162 4.057,1163 4.068,1164 7.474,1165 4.063,1166 3.884,1167 3.92,1168 3.824,1169 3.809,1170 6.351,1171 3.808,1172 3.727,1173 3.777,1174 3.604,1175 3.591,1176 4.949,1177 3.583,1178 3.537,1179 3.572,1180 3.455,1181 3.437,1182 4.858,1183 3.433,1184 3.382,1185 3.421,1186 3.266,1187 3.23,1188 4.398,1189 3.231,1190 3.118,1191 3.158,1192 3.002,1193 2.982,1194 4.156,1195 2.978,1196 3.009,1197 3.059,1198 2.885,1199 2.884,1200 3.911,1201 2.881,1202 2.808,1203 2.876,1204 2.639,1205 2.623,1206 3.822,1207 2.62,1208 0.166,1209 0.133,1210 0.242,1211 0.151,1212 0.114,1213 4.481,1214 0.162,1215 3.596,1216 0.087,1217 6.524,1218 0.381,1219 4.065,1220 0.113,1221 3.066,1222 4.364,1223 2.341,1224 10.284,1225 3.064,1226 2.088,1227 2.071,1228 2.17,1229 2.138,1230 1.342,1231 2.15,1232 1.871,1233 1.84,1234 2.008,1235 1.974,1236 1.276,1237 1.985,1238 1.718,1239 1.667,1240 1.921,1241 1.886,1242 1.037,1243 1.902,1244 1.525,1245 1.489,1246 1.696,1247 1.665,1248 0.838,1249 1.673,1250 1.357,1251 1.314,1252 1.585,1253 1.541,1254 0.699,1255 1.553,1256 1.098,1257 1.056,1258 1.319,1259 1.289,1260 0.429,1261 1.293,1262 1.006,1263 0.962,1264 1.244,1265 1.179,1266 0.337,1267 1.205,1268 0.79,1269 0.729,1270 1.091,1271 1.033,1272 0.197,1273 1.057,1274 4.007,1276 5.273,1278 6.742,1280 8.309,1282 9.93,1289 8.755,1290 2.643,1300 29.719,1301 61.738,1302 148.535,1303 194.8,1304 229.329,1305 240.084,1306 244.084,1307 39.557,1308 6.89,1309 50.19,1310 50.19,1311 18,1312 12.185,1313 4.322,1314 3.524,1315 41.576,1316 85,1317 107,1318 0.222,1319 185.135,1320 321.56,1321 443.488,1322 7961,1324 17.485,1325 0.699,1326 0.562,1327 17.485,1328 14.059,1329 12.237,1330 0.453,1331 0.317,1332 8.508,1333 12.014,1334 8.316,1335 6.935,1336 12.237,1337 8.554,1338 10.472,1339 0.299,1340 0.173,1341 10.472,1342 6.061,1343 8.26,1344 0.188,1345 0.096,1346 8.26,1347 4.226,1348 6.827,1349 0.122,1350 0.053,1351 6.827,1352 2.948,1353 5.648,1354 0.08,1355 0.029,1356 5.648,1357 2.044,1358 0.346,1359 75.078,1360 0.233,1361 24.392,1362 0.617,1363 124,1364 329.53,1365 129.816,1366 327.899,1367 444.49,1368 306,1369 141,1370 318.779,1371 145.157,1372 328.382,1373 471.09,1374 310,1375 7.721} {0 CHEMBL320158,1 1.342,2 9.6,3 4.542,4 20.63,5 100.158,6 7.205,7 0.63,8 3.893,9 4,10 3.427,11 3.525,12 5.02,13 3.478,14 4.385,15 4.538,16 3.72,17 3.897,18 5.523,19 3.816,20 4.667,21 4.881,22 3.752,23 4.033,24 5.613,25 3.92,26 4.664,27 4.877,28 3.733,29 4.034,30 5.601,31 3.914,32 4.702,33 4.91,34 3.77,35 4.073,36 5.652,37 3.952,38 4.778,39 5.002,40 3.744,41 4.087,42 5.725,43 3.951,44 4.777,45 5.024,46 3.62,47 4.024,48 5.654,49 3.865,50 4.687,51 4.959,52 3.428,53 3.849,54 5.54,55 3.676,56 0.036,57 0.565,58 9.226,59 4.447,60 8.334,61 5.744,62 0.168,63 0.928,64 16.074,65 7.352,66 34.754,67 9.844,68 0.174,69 1.198,70 23.216,71 9.984,72 35.016,73 13.481,74 0.154,75 1.201,76 22.972,77 10.012,78 31.186,79 13.578,80 0.153,81 1.255,82 23.698,83 10.325,84 32.354,85 14.002,86 0.18,87 1.367,88 26.065,89 10.938,90 39.053,91 15.003,92 0.168,93 1.373,94 26.545,95 10.976,96 34.64,97 15.37,98 0.157,99 1.241,100 24.993,101 10.062,102 29.467,103 14.238,104 11,105 35,106 0.229,107 0.55,108 0.719,109 0.839,110 0.896,111 0.911,112 3.267,113 0.951,114 -4.91,115 -4.81,116 -4.52,118 47.8,120 4,133 1,134 1,140 9,141 4,143 2,154 1,163 1,167 1,168 20,169 1,172 3,175 1,177 1,180 25,181 1,186 3,191 1,194 27,195 1,198 3,203 1,206 26,207 1,210 4,215 1,218 24,219 1,222 5,227 1,229 20,230 1,234 5,239 1,242 15,243 2,247 4,252 2,255 9,256 3,259 3,260 1,264 3,267 4,268 4,270 1095,271 17.225,272 17.225,273 17.225,274 17.225,275 17.225,276 14.822,277 5.568,278 10.752,279 17.296,280 13.386,281 13.386,282 13.386,283 13.386,284 13.386,285 9.891,286 1.893,287 5.135,288 13.486,289 4.181,290 2.295,291 1.305,292 0.598,293 0.261,294 0.174,295 3.954,299 1,300 1,301 509,302 3.606,306 214.866,310 111.703,313 1.328,314 17.32,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 52.5,326 240,327 4.595,328 3.596,329 6.792,330 4.175,331 3.176,332 4.49,333 2.341,334 11.199,335 3.174,336 4.143,337 3.184,338 6.105,339 3.705,340 2.707,341 3.74,343 8.834,344 2.7,345 3.553,346 2.72,347 5.182,348 3.24,349 2.235,350 2.999,352 6.051,353 2.222,354 3.542,355 2.105,356 4.659,357 3.065,358 2.077,359 2.71,361 5.184,362 2.052,363 3.123,364 1.906,365 4.393,366 2.701,367 1.704,368 2.427,370 4.157,371 1.696,372 3.118,373 1.618,374 4.012,375 2.618,376 1.618,377 2.356,379 3.629,380 1.618,381 2.765,382 1.542,383 3.642,384 2.473,385 1.492,386 1.896,388 3.14,389 1.46,390 2.756,391 1.307,392 3.585,393 2.266,394 1.267,395 1.801,397 2.816,398 1.266,399 2.5,400 1.267,401 3.436,402 2.081,403 1.09,404 1.5,406 2.49,407 1.078,408 2.484,409 1,410 3.247,411 1.956,412 1,413 1.45,415 2.136,416 0.953,417 2.228,418 0.95,419 3.222,420 1.819,421 0.818,422 1.087,424 1.842,425 0.818,426 1.655,427 0.669,428 2.822,429 1.415,430 0.416,431 0.505,433 0.958,434 0.414,435 1.087,436 0.401,437 2.406,438 0.775,439 -0.228,440 -0.257,442 -0.514,443 -0.227,444 0.882,445 0.034,446 2.204,447 0.486,448 -0.508,449 -0.695,451 -1.226,452 -0.502,453 0.86,454 -0.474,455 2.191,456 0.382,457 -0.618,458 -0.927,460 -1.478,461 -0.618,462 12.067,463 0.483,464 0.418,465 0.017,466 33.5,467 1.34,468 19,469 0.76,470 14.5,471 0.58,472 18.521,473 0.741,474 25.733,475 0.559,476 23.618,477 0.945,478 6.651,479 0.266,480 5.603,481 0.224,482 0.055,484 0.249,487 0.735,488 1.011,489 0.831,490 0.946,491 0.7,492 0.908,493 0.451,494 1.058,495 0.946,496 1.059,497 0.414,498 1.054,499 0.819,500 0.885,501 0.932,502 0.896,503 0.851,504 0.924,505 0.728,506 0.954,507 0.968,508 0.971,509 0.744,510 0.994,511 0.729,512 1.036,513 1.014,514 1.034,515 0.749,516 1.054,517 0.761,518 1.087,519 1.07,520 1.069,521 0.71,522 1.096,523 0.609,524 1.111,525 1.056,526 1.096,527 0.558,528 1.116,529 0.586,530 1.032,531 0.972,532 1.048,533 0.543,534 1.044,535 3,536 0.128,537 2.222,538 1.375,539 0.947,540 0.479,541 0.282,542 0.207,543 0.205,544 0.157,545 6731,546 18309,547 2.085,548 45.7,549 6,550 10,552 2,553 1,554 2,558 1.686,559 2,560 3.202,561 -0.435,567 61.738,568 1.342,569 3.229,570 4.218,571 4.926,572 5.263,573 5.35,574 2.634,575 4.324,576 4.608,577 3.404,578 1021.24,579 8.007,580 12490.2,582 1,585 254.084,586 1.164,587 4.597,588 0.111,589 0.009,590 0.063,591 0.038,592 0.027,593 0.013,594 0.008,595 0.007,596 0.009,597 0.008,598 0.294,599 0.5,600 1,601 1.592,602 120.058,603 -0.045,604 0.023,605 0.02,606 0.056,607 -0.049,608 0.045,609 0.188,610 -0.037,611 -0.065,612 -0.067,613 0.198,614 -0.088,615 -0.067,616 0.09,617 0.011,618 0.1,619 -0.075,620 0.069,621 -0.053,622 0.021,623 -0.035,624 0.025,625 -0.066,626 0.001,627 -0.059,628 -0.053,629 -0.086,630 -0.042,631 -0.085,632 -0.065,633 -0.068,634 -0.091,635 -0.126,636 -0.09,637 -0.057,638 -0.112,639 -0.023,640 -0.117,641 -0.104,642 -0.12,643 -0.034,644 -0.121,645 0.036,646 -0.051,647 0.008,648 -0.073,649 0.021,650 -0.038,651 2.398,652 3.662,653 0.64,654 22.432,655 0.991,656 1.11,657 3.679,658 13.534,659 0.685,660 3.332,661 3.584,662 3.829,663 4.094,664 4.331,665 4.331,666 4.454,667 4.543,668 4.585,669 4.454,670 5.912,671 0.646,672 331.44,673 3.332,674 4.828,675 5.652,676 6.506,677 7.358,678 8.226,679 9.093,680 9.968,681 10.843,682 11.724,683 2.2,693 1,698 2,699 11,700 1,704 2,706 17,724 46,726 19,727 2,728 27,730 48,731 22,733 15,734 3,735 7,736 2,739 3,740 4,751 4,753 18,754 4,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,802 3,806 1,818 1,822 1,823 1,830 1,832 2,840 25,845 1,846 4,862 4.3,864 1,865 1,869 12.5,870 8.067,871 5.694,872 2.878,874 3.23,875 1.469,876 0.967,877 5.713,878 10.119,879 3.651,880 4.22,881 4.814,882 5.433,883 6.024,884 6.264,885 6.712,886 7.1,887 7.458,888 7.518,889 1,890 36,891 9.209,893 3.802,894 7.74,895 17.762,897 14.369,899 2.24,900 56,903 1,904 235.422,905 138.608,906 16.786,908 67.828,911 138.608,912 303.25,913 16.786,915 10.138,916 94.762,917 109.066,918 32.797,920 211.88,922 235.422,923 155.393,924 67.828,927 235.422,928 67.828,931 28.233,932 100.899,933 26.262,935 235.422,936 84.614,937 138.608,940 235.422,941 25.751,942 112.857,944 84.614,945 235.422,946 84.614,947 138.608,949 0.556,950 0.312,951 0.178,952 0.1,953 15,954 6,955 0.146,956 7,957 1,958 1.125,959 3.726,960 200.044,961 0.125,962 16,963 114.096,968 17.07,969 8.367,970 4.404,971 2.423,972 84.614,973 22.354,974 4.26,978 2.265,980 42.683,981 458.644,982 37.5,987 10.662,989 2.209,991 0.422,994 45.592,995 51.069,996 0.243,997 0.585,998 0.764,999 0.892,1000 0.953,1001 0.969,1002 4.83,1003 1.267,1004 5.587,1005 3.14,1006 4.263,1007 4.905,1008 2.258,1009 6.351,1010 4.25,1011 6.015,1012 1.09,1013 7.104,1014 2.816,1015 3.611,1016 4.527,1017 2.243,1018 7.222,1019 3.604,1020 7.298,1021 1,1022 8.737,1023 2.49,1024 5.778,1025 7.107,1026 3.628,1027 10.377,1028 5.761,1029 8.625,1030 0.818,1031 10.446,1032 2.136,1033 6.043,1034 7.659,1035 4.112,1036 12.197,1037 6.036,1038 9.99,1039 0.416,1040 12.208,1041 1.842,1042 7.617,1043 9.645,1044 5.201,1045 14.852,1046 7.6,1047 11.386,1048 -0.228,1049 14.007,1050 0.958,1051 8.343,1052 10.67,1053 5.889,1054 17.026,1055 8.335,1056 12.805,1057 -0.508,1058 15.833,1059 -0.514,1060 9.658,1061 12.385,1062 6.849,1063 19.519,1064 9.643,1065 3.176,1066 -0.618,1067 17.677,1068 -1.226,1069 10.61,1070 13.651,1071 7.625,1072 21.83,1073 10.601,1074 2.707,1075 11.199,1076 19.535,1077 -1.478,1078 11.817,1079 15.241,1080 8.526,1081 24.268,1082 11.803,1083 2.235,1084 8.834,1085 21.403,1086 4.49,1087 12.874,1088 16.626,1089 9.342,1090 26.635,1091 12.864,1092 2.077,1093 6.051,1094 23.28,1095 3.74,1096 14.039,1097 18.16,1098 10.216,1099 29.055,1100 14.027,1101 1.704,1102 5.184,1103 25.162,1104 2.999,1105 15.145,1106 19.603,1107 11.051,1108 31.446,1109 15.134,1110 1.618,1111 4.157,1112 27.049,1113 2.71,1114 16.296,1115 21.114,1116 11.912,1117 33.861,1118 16.284,1119 1.492,1120 3.629,1121 28.939,1122 2.427,1123 17.424,1124 22.585,1125 12.755,1126 36.264,1127 17.413,1128 6641,1129 11020,1130 18.375,1131 31.529,1132 39.589,1133 40.081,1134 39.975,1135 39.208,1136 39.202,1137 53.924,1138 4.682,1139 104.868,1140 38.902,1141 5.453,1142 5.596,1143 6.594,1144 5.211,1145 5.176,1146 7.49,1147 3.925,1148 18.582,1149 5.174,1150 9.566,1151 1.466,1152 1.484,1153 1.481,1154 1.452,1155 1.452,1156 1.997,1157 0.173,1158 3.884,1159 1.441,1160 4.111,1161 4.13,1162 4.068,1163 4.078,1164 7.474,1165 4.073,1166 3.87,1167 3.907,1168 3.808,1169 3.79,1170 6.351,1171 3.79,1172 3.727,1173 3.777,1174 3.602,1175 3.59,1176 4.951,1177 3.582,1178 3.514,1179 3.55,1180 3.424,1181 3.413,1182 4.851,1183 3.407,1184 3.414,1185 3.455,1186 3.3,1187 3.279,1188 4.373,1189 3.277,1190 3.169,1191 3.204,1192 3.06,1193 3.015,1194 4.222,1195 3.019,1196 2.942,1197 2.994,1198 2.808,1199 2.809,1200 3.939,1201 2.803,1202 2.804,1203 2.873,1204 2.638,1205 2.621,1206 3.8,1207 2.62,1208 0.17,1209 0.133,1210 0.252,1211 0.155,1212 0.118,1213 4.595,1214 0.166,1215 3.596,1216 0.087,1217 6.792,1218 0.415,1219 4.175,1220 0.118,1221 3.176,1222 4.49,1223 2.341,1224 11.199,1225 3.174,1226 2.095,1227 2.078,1228 2.172,1229 2.142,1230 1.353,1231 2.153,1232 1.856,1233 1.824,1234 2,1235 1.964,1236 1.277,1237 1.975,1238 1.718,1239 1.666,1240 1.919,1241 1.886,1242 1.018,1243 1.902,1244 1.506,1245 1.468,1246 1.687,1247 1.651,1248 0.837,1249 1.659,1250 1.398,1251 1.355,1252 1.62,1253 1.567,1254 0.697,1255 1.585,1256 1.134,1257 1.097,1258 1.345,1259 1.329,1260 0.479,1261 1.329,1262 0.936,1263 0.888,1264 1.19,1265 1.133,1266 0.291,1267 1.152,1268 0.79,1269 0.729,1270 1.09,1271 1.021,1272 0.186,1273 1.051,1274 4.007,1276 5.273,1278 6.749,1280 8.33,1282 9.972,1289 8.773,1290 2.633,1300 29.719,1301 61.738,1302 148.535,1303 194.045,1304 226.574,1305 242.084,1306 246.084,1307 39.817,1308 6.89,1309 50.19,1310 50.19,1311 18,1312 12.261,1313 4.322,1314 3.524,1315 41.49,1316 81,1317 107,1318 0.234,1319 185.135,1320 321.56,1321 443.488,1322 7921,1324 17.485,1325 0.699,1326 0.562,1327 17.485,1328 14.059,1329 12.254,1330 0.454,1331 0.317,1332 8.514,1333 12.03,1334 8.325,1335 6.941,1336 12.254,1337 8.56,1338 10.397,1339 0.297,1340 0.172,1341 10.397,1342 6.026,1343 8.254,1344 0.183,1345 0.094,1346 8.254,1347 4.246,1348 6.991,1349 0.118,1350 0.051,1351 6.991,1352 3.033,1353 5.827,1354 0.078,1355 0.028,1356 5.827,1357 2.119,1358 0.36,1359 75.179,1360 0.233,1361 24.184,1362 0.661,1363 124,1364 329.53,1365 129.816,1366 327.656,1367 445.03,1368 306,1369 142,1370 319.779,1371 146.157,1372 328.979,1373 473.8,1374 311,1375 7.469} {0 CHEMBL320235,1 1.715,2 13.143,3 4.354,4 18.957,5 131.731,6 8.125,7 0.579,8 4.208,9 4.305,10 3.958,11 3.8,12 5.343,13 3.764,14 4.743,15 4.89,16 4.262,17 4.187,18 6.085,19 4.135,20 5.003,21 5.184,22 4.3,23 4.345,24 6.151,25 4.261,26 5.114,27 5.311,28 4.225,29 4.369,30 6.222,31 4.266,32 5.117,33 5.335,34 4.262,35 4.36,36 6.16,37 4.251,38 5.148,39 5.373,40 4.317,41 4.373,42 6.349,43 4.259,44 5.127,45 5.359,46 4.271,47 4.349,48 6.178,49 4.241,50 5.107,51 5.325,52 4.211,53 4.308,54 6.235,55 4.204,56 0.136,57 0.947,58 13.799,59 6.093,60 25.226,61 6.898,62 0.49,63 1.527,64 23.234,65 10.028,66 82.441,67 12.066,68 0.547,69 1.919,70 35.484,71 13.663,72 82.999,73 15.78,74 0.678,75 2.007,76 40.397,77 14.749,78 111.884,79 17.72,80 0.606,81 1.967,82 38.697,83 15.033,84 92.216,85 19.412,86 0.839,87 2.086,88 40.06,89 15.196,90 136.693,91 19.741,92 0.563,93 2.008,94 43.255,95 15.327,96 83.408,97 19.301,98 0.708,99 1.929,100 42.008,101 15.105,102 111.446,103 18.504,104 40,105 54,106 0.273,107 0.611,108 0.784,109 0.874,110 0.879,111 0.879,112 3.589,113 1.002,114 -3.86,115 -3.81,116 -3.62,118 42.6,119 1,120 3,124 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 13,169 1,171 1,172 7,175 3,177 1,180 15,181 1,186 10,189 1,191 3,194 16,195 1,198 8,203 3,206 12,207 2,209 2,210 5,215 6,218 10,219 2,221 1,222 8,227 5,229 8,230 1,234 13,235 1,239 3,242 6,243 1,246 1,247 9,250 1,252 3,255 11,256 2,259 7,262 1,264 4,267 15,268 1,270 2514,271 23.162,272 23.162,273 23.162,274 23.162,275 23.162,276 19.962,277 20.297,278 13.613,279 23.572,280 18.744,281 18.744,282 18.744,283 18.744,284 18.744,285 13.872,286 16.922,287 6.487,288 19.446,289 4.216,290 2.089,291 1.005,292 0.439,293 0.406,294 0.406,295 4.279,300 1,301 978,302 4.416,305 84.716,306 337.633,309 156.294,313 1.927,314 49.694,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 77,326 460,327 4.845,328 4.683,329 7.293,330 4.312,331 3.377,332 4.727,333 2.341,334 12.404,335 3.244,336 4.757,337 3.6,338 7.016,339 4.286,340 3.334,341 4.696,342 0.68,343 11.975,344 3.063,345 3.923,346 3.467,347 5.763,348 3.552,349 2.557,350 3.465,352 7.741,353 2.543,354 3.847,355 2.875,356 5.682,357 3.481,358 2.5,359 3.393,361 7.538,362 2.45,363 3.834,364 2.788,365 5.253,366 3.351,367 2.4,368 3.319,370 6.434,371 2.273,372 3.531,373 2.679,374 5.208,375 3.171,376 2.173,377 2.845,379 6.319,380 2.146,381 3.471,382 2.231,383 5.148,384 3.054,385 2.084,386 2.714,388 6.164,389 2.014,390 3.254,391 2.097,392 4.732,393 2.862,394 1.875,395 2.505,397 5.01,398 1.842,399 3.082,400 1.897,401 4.604,402 2.609,403 1.651,404 2.29,406 4.763,407 1.564,408 2.887,409 1.557,410 3.894,411 2.413,412 1.448,413 2.052,415 3.137,416 1.395,417 2.532,418 1.415,419 3.698,420 2.235,421 1.262,422 1.534,424 3.004,425 1.225,426 2.5,427 1.121,428 3.508,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.005,437 3.414,438 1.957,439 1,440 1.5,442 2.226,443 0.954,444 2.207,445 1,446 3.261,447 1.886,448 0.908,449 1.141,451 2.136,452 0.885,453 1.825,454 1,455 3.247,456 1.606,457 0.605,458 0.695,460 1.406,461 0.6,462 16.652,463 0.476,464 1.016,465 0.029,466 46.25,467 1.321,468 24.5,469 0.7,470 21.75,471 0.621,472 31.319,473 0.895,474 37.948,475 0.622,476 39.374,477 1.125,478 9.154,479 0.262,480 7.588,481 0.217,482 0.127,483 0.05,484 0.294,486 1,487 0.584,488 1.151,489 0.792,490 1.158,491 0.636,492 0.935,493 0.545,494 1.031,495 0.828,496 0.974,497 0.464,498 0.949,499 0.972,500 1.008,501 1.162,502 1.08,503 0.887,504 1.039,505 1.01,506 0.984,507 1.198,508 1.113,509 0.976,510 1.145,511 0.606,512 0.943,513 0.794,514 0.984,515 0.675,516 1.054,517 0.549,518 0.902,519 0.82,520 0.949,521 0.482,522 1.03,523 0.719,524 0.894,525 0.985,526 1.01,527 0.614,528 0.952,529 0.885,530 0.92,531 1.051,532 1.038,533 0.932,534 1.019,535 8,536 0.318,537 4.444,538 2.986,539 1.872,540 1.504,541 0.887,542 0.824,543 0.495,544 0.359,545 17695,546 58032,547 2.034,548 42.6,549 4,550 13,552 2,553 2,554 5,558 1.772,559 1.883,560 3.651,561 0.191,567 104.597,568 1.715,569 3.841,570 4.926,571 5.492,572 5.525,573 5.525,574 3.109,575 4.593,576 5.094,577 3.84,578 2284.91,579 8.975,580 36097.6,585 361.775,586 1.592,587 5.043,588 0.211,589 0.008,590 0.082,591 0.054,592 0.037,593 0.029,594 0.017,595 0.016,596 0.01,597 0.008,598 0.474,599 0.33,600 0.88,601 1.022,602 189.449,603 0.02,604 -0.087,605 0.162,606 -0.034,607 -0.093,608 0.035,609 0.181,610 -0.014,611 0.049,612 0.02,613 0.21,614 0.005,615 -0.128,616 0.017,617 -0.149,618 -0.033,619 -0.071,620 -0.059,621 -0.161,622 -0.053,623 -0.229,624 -0.118,625 -0.116,626 -0.162,627 0.05,628 -0.12,629 0.064,630 -0.054,631 -0.019,632 -0.044,633 0.171,634 0.005,635 0.089,636 -0.007,637 0.175,638 -0.028,639 -0.023,640 -0.008,641 0.042,642 -0.001,643 0.029,644 0.065,645 -0.03,646 -0.023,647 -0.045,648 -0.039,649 -0.054,650 -0.014,651 4.688,652 5.602,653 0.6,654 43.709,655 1.013,656 1.124,657 2.626,658 6.894,659 0.681,660 3.664,661 4.007,662 4.248,663 4.5,664 4.754,665 4.86,666 5.017,667 5.159,668 5.242,669 5.328,670 7.757,671 0.653,672 495.62,673 3.664,674 5.22,675 6.066,676 6.954,677 7.826,678 8.723,679 9.609,680 10.512,681 11.407,682 12.316,683 4.9,685 1,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 61,726 25,727 2,728 38,730 64,731 26,733 19,734 5,735 7,739 4,740 5,745 1,751 3,753 20,754 6,756 3,760 1,761 3,765 1,770 1,772 26,773 7,774 2,775 9,776 1,779 3,784 0.75,785 4,795 1,797 1,801 1,802 3,805 1,818 1,830 1,832 3,834 1,836 1,838 1,840 35,844 1,845 1,846 5,847 1,861 1,862 6.6,864 1,865 3,869 18.583,870 11.076,871 7.597,872 3.551,874 3.601,875 1.453,876 0.986,877 7.537,878 11.548,879 3.97,880 4.627,881 5.17,882 5.756,883 6.313,884 6.616,885 7.021,886 7.403,887 7.651,888 7.957,889 0.889,890 55,891 13.253,893 5.978,894 8.069,895 24.396,897 20.336,899 2.569,900 89.917,904 282.506,905 158.441,906 35.09,908 112.141,909 14.96,910 5.807,911 152.633,912 394.648,913 50.05,914 8.825,915 11.815,916 107.499,917 153.379,918 42.795,919 19.861,920 258.964,922 282.506,923 187.723,924 127.101,925 5.807,927 297.467,928 112.141,931 57.039,932 113.898,933 22.593,935 297.467,936 147.231,937 158.441,939 5.807,940 282.506,941 40.427,942 114.105,943 16.405,944 143.887,945 282.506,946 162.191,947 158.441,949 0.587,950 0.328,951 0.168,952 0.098,953 25,954 12,955 0.156,956 10,957 1,958 1.095,959 4.483,960 329.325,961 0.095,962 21,963 173.525,967 1,968 24.902,969 10.594,970 5.897,971 1.956,972 160.292,973 18.013,974 4.202,978 3.575,979 2.065,980 59.088,981 603.138,982 52,986 -3.771,987 36.24,991 -0.845,994 61.807,995 68.575,996 0.289,997 0.648,998 0.831,999 0.926,1000 0.932,1001 0.932,1002 5.212,1003 1.875,1004 6.084,1005 6.164,1006 4.691,1007 5.316,1008 2.35,1009 6.934,1010 4.619,1011 6.462,1012 1.651,1013 7.676,1014 5.01,1015 4.443,1016 5.394,1017 2.243,1018 8.109,1019 4.29,1020 7.814,1021 1.448,1022 9.381,1023 4.763,1024 6.358,1025 7.655,1026 3.64,1027 11.169,1028 6.193,1029 9.209,1030 1.262,1031 11.157,1032 3.137,1033 6.929,1034 8.559,1035 4.112,1036 13.203,1037 6.665,1038 10.641,1039 1,1040 12.982,1041 3.004,1042 8.37,1043 10.36,1044 5.203,1045 15.866,1046 8.088,1047 12.101,1048 1,1049 14.842,1050 2.275,1051 9.305,1052 11.628,1053 5.889,1054 18.211,1055 8.927,1056 13.583,1057 0.908,1058 16.729,1059 2.226,1060 10.583,1061 13.267,1062 6.849,1063 20.763,1064 10.171,1065 3.377,1066 0.605,1067 18.635,1068 2.136,1069 11.678,1070 14.696,1071 7.625,1072 23.214,1073 11.182,1074 3.334,1075 12.404,1076 20.556,1077 1.406,1078 12.902,1079 16.276,1080 8.526,1081 25.733,1082 12.361,1083 2.557,1084 11.975,1085 22.489,1086 4.727,1087 14.064,1088 17.775,1089 9.342,1090 28.219,1091 13.451,1092 2.5,1093 7.741,1094 24.431,1095 4.696,1096 15.274,1097 19.334,1098 10.216,1099 30.728,1100 14.61,1101 2.4,1102 7.538,1103 26.38,1104 3.465,1105 16.464,1106 20.862,1107 11.051,1108 33.226,1109 15.737,1110 2.173,1111 6.434,1112 28.335,1113 3.393,1114 17.671,1115 22.414,1116 11.912,1117 35.732,1118 16.892,1119 2.084,1120 6.319,1121 30.294,1122 3.319,1123 18.873,1124 23.954,1125 12.755,1126 38.235,1127 18.036,1128 17110,1129 31184,1130 24.849,1131 41.557,1132 57.187,1133 59.134,1134 58.601,1135 57.17,1136 57.028,1137 77.501,1138 6.042,1139 166.77,1140 55.051,1141 5.752,1142 6.683,1143 7.095,1144 5.377,1145 5.377,1146 7.727,1147 3.925,1148 19.654,1149 5.244,1150 19.764,1151 1.505,1152 1.556,1153 1.542,1154 1.504,1155 1.501,1156 2.039,1157 0.159,1158 4.389,1159 1.449,1160 4.183,1161 4.212,1162 4.735,1163 4.11,1164 8.201,1165 4.107,1166 4.056,1167 4.036,1168 4.135,1169 4.04,1170 7.717,1171 3.959,1172 3.854,1173 3.896,1174 3.79,1175 3.758,1176 7.474,1177 3.76,1178 3.708,1179 3.749,1180 3.724,1181 3.579,1182 6.999,1183 3.567,1184 3.647,1185 3.661,1186 3.597,1187 3.529,1188 6.351,1189 3.491,1190 3.445,1191 3.468,1192 3.367,1193 3.268,1194 4.935,1195 3.275,1196 3.317,1197 3.362,1198 3.201,1199 3.181,1200 4.848,1201 3.159,1202 3.094,1203 3.178,1204 2.93,1205 2.934,1206 4.585,1207 2.913,1208 0.127,1209 0.123,1210 0.192,1211 0.113,1212 0.089,1213 4.845,1214 0.124,1215 4.683,1216 0.062,1217 7.293,1218 0.326,1219 4.312,1220 0.085,1221 3.377,1222 4.727,1223 2.341,1224 12.404,1225 3.244,1226 1.984,1227 1.967,1228 2.077,1229 2.068,1230 1.304,1231 2.081,1232 1.95,1233 1.954,1234 1.988,1235 2.027,1236 1.218,1237 2.053,1238 1.861,1239 1.823,1240 1.964,1241 1.985,1242 1.148,1243 1.989,1244 1.691,1245 1.639,1246 1.864,1247 1.869,1248 1.081,1249 1.873,1250 1.542,1251 1.509,1252 1.74,1253 1.727,1254 0.915,1255 1.725,1256 1.486,1257 1.482,1258 1.65,1259 1.678,1260 0.821,1261 1.698,1262 1.246,1263 1.22,1264 1.443,1265 1.433,1266 0.572,1267 1.466,1268 1.118,1269 1.045,1270 1.209,1271 1.335,1272 0.51,1273 1.376,1274 4.344,1276 5.68,1277 2.398,1278 7.203,1279 4.949,1280 8.81,1281 7.209,1282 10.466,1284 1.997,1286 13.164,1289 9.059,1290 1.669,1291 2.592,1300 39.815,1301 104.597,1302 234.331,1303 300.491,1304 335.02,1305 337.02,1306 337.02,1307 91.204,1308 7.947,1309 101.29,1310 109.67,1311 23,1312 12.835,1313 4.7,1314 3.907,1315 59.239,1316 158,1317 183,1318 0.178,1319 247.093,1320 429.02,1321 594.668,1322 31287,1323 1.6,1324 25.001,1325 0.714,1326 0.573,1327 24.381,1328 20.055,1329 16.742,1330 0.441,1331 0.334,1332 11.196,1333 15.339,1334 10.806,1335 8.916,1336 17.169,1337 12.692,1338 15.742,1339 0.292,1340 0.187,1341 16.444,1342 10.118,1343 12.476,1344 0.181,1345 0.108,1346 13.173,1347 7.478,1348 9.985,1349 0.112,1350 0.059,1351 10.702,1352 5.234,1353 8.316,1354 0.072,1355 0.032,1356 8.837,1357 3.713,1358 0.279,1359 113.148,1360 0.201,1361 32.252,1362 0.488,1363 184,1364 621.951,1365 238.97,1366 595.752,1367 789,1368 548,1369 215,1370 535.174,1371 274.484,1372 572.357,1373 828.73,1374 537,1375 7.215} {0 CHEMBL320461,1 1.465,2 30.698,3 7.276,4 52.946,5 242.77,6 7.101,7 0.353,8 4.853,9 4.966,10 4.367,11 4.397,12 5.94,13 4.366,14 5.42,15 5.58,16 4.683,17 4.785,18 6.44,19 4.722,20 5.734,21 5.952,22 4.783,23 4.945,24 6.695,25 4.854,26 5.837,27 6.067,28 4.759,29 4.937,30 6.834,31 4.845,32 5.787,33 6.014,34 4.743,35 4.962,36 6.716,37 4.859,38 5.847,39 6.09,40 4.738,41 5.005,42 6.759,43 4.882,44 5.84,45 6.088,46 4.706,47 4.99,48 6.799,49 4.86,50 5.779,51 6.027,52 4.641,53 4.942,54 6.704,55 4.809,56 0.052,57 1.62,58 25.552,59 11.773,60 27.64,61 15.185,62 0.63,63 2.626,64 48.89,65 19.871,66 62.447,67 26.121,68 0.514,69 3.395,70 70.278,71 26.768,72 111.53,73 36.391,74 1.231,75 3.557,76 81.746,77 27.755,78 175.613,79 37.316,80 0.794,81 3.506,82 75.631,83 27.776,84 131.974,85 37.714,86 0.934,87 3.712,88 80.851,89 29.99,90 146.613,91 41.529,92 1.036,93 3.685,94 80.688,95 29.777,96 167.196,97 41.442,98 0.7,99 3.514,100 75.22,101 28.139,102 127.502,103 39.35,104 30,105 88,106 0.204,107 0.514,108 0.7,109 0.784,110 0.806,111 0.816,112 4.16,113 0.969,114 -4.67,115 -4.59,116 -4.32,118 42.5,120 10,121 2,124 4,126 2,127 2,133 4,140 14,141 6,142 1,143 2,154 4,168 31,171 2,172 16,175 2,177 6,180 29,186 21,191 6,194 19,197 1,198 26,201 1,203 6,206 17,210 18,215 5,218 26,221 1,222 13,225 1,227 4,229 35,233 4,234 12,238 1,239 5,242 41,247 3,252 3,255 36,258 4,259 8,262 6,264 6,267 29,270 13173,271 43.586,272 43.586,273 43.586,274 43.586,275 43.586,276 39.67,277 47.194,278 26.823,279 43.95,280 33.51,281 33.51,282 33.51,283 33.51,284 33.51,285 27.579,286 48.621,287 12.7,288 34.111,289 5.442,290 3.219,291 1.882,292 1.279,293 1.117,294 1.05,295 4.868,301 4181,302 5.701,306 1625.44,313 4.342,314 70.687,317 0.5,318 0.33,319 0.5,320 0.8,321 1,322 0.33,324 0.5,325 135.5,326 1934,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.035,334 10.786,335 3.042,336 4.237,337 4.057,338 6.543,339 4.055,340 3.084,341 3.738,342 2.035,343 10.361,344 2.991,345 4.156,346 3.606,347 6.129,348 3.803,349 2.809,350 3.73,351 1.907,352 8.996,353 2.793,354 4.109,355 3.585,356 6.096,357 3.763,358 2.766,359 3.576,360 1.907,361 8.887,362 2.755,363 3.841,364 3.576,365 5.659,366 3.459,367 2.48,368 3.06,369 1.902,370 7.395,371 2.427,372 3.807,373 3.576,374 5.299,375 3.393,376 2.386,377 3.047,378 1.902,379 6.772,380 2.39,381 3.666,382 3.197,383 5.293,384 3.389,385 2.385,386 2.837,387 0.869,388 6.75,389 2.386,390 3.664,391 3.113,392 5.238,393 3.377,394 2.38,395 2.836,396 0.869,397 6.375,398 2.365,399 3.599,400 2.629,401 5.035,402 3.317,403 2.323,404 2.728,405 0.22,406 6.093,407 2.306,408 3.506,409 2.477,410 5.035,411 3.211,412 2.224,413 2.674,414 0.22,415 6.091,416 2.193,417 3.15,418 2.43,419 4.565,420 2.839,421 1.844,422 2.216,423 0.149,424 4.538,425 1.834,426 3.143,427 2.373,428 4.401,429 2.715,430 1.734,431 2.213,432 0.149,433 4.268,434 1.698,435 3.047,436 2.162,437 4.351,438 2.673,439 1.69,440 2.026,442 4.077,443 1.658,444 3.043,445 2.043,446 4.101,447 2.512,448 1.546,449 1.95,451 3.717,452 1.491,453 2.871,454 1.983,455 3.872,456 2.475,457 1.518,458 1.91,460 3.614,461 1.455,462 29.833,463 0.474,464 1.019,465 0.016,466 74.25,467 1.179,468 35.5,469 0.563,470 38.75,471 0.615,472 71.721,473 1.138,474 68.567,475 0.571,476 68.337,477 1.085,478 14.335,479 0.228,480 16.576,481 0.263,482 0.06,484 0.251,487 0.805,488 1.214,489 0.84,490 1.129,491 0.605,492 1.011,493 0.976,494 1.135,495 1.04,496 1.145,497 0.603,498 1.112,499 1.019,500 1.104,501 0.962,502 1.111,503 0.817,504 1.042,505 1.509,506 0.912,507 1.088,508 0.922,509 1.093,510 0.942,511 1.2,512 0.988,513 1.039,514 1.007,515 0.937,516 1.003,517 0.961,518 0.952,519 0.988,520 0.99,521 0.805,522 0.995,523 0.921,524 0.891,525 0.985,526 0.953,527 0.831,528 0.979,529 0.908,530 1.024,531 0.993,532 1.021,533 0.94,534 1.024,535 9,536 0.38,537 6,538 2.688,539 2.324,540 2.056,541 1.17,542 0.549,543 0.635,544 0.486,545 132968,546 343924,547 2.085,548 47.5,549 12,550 28,551 2,552 2,553 3,554 4,555 4,556 2,558 1.893,559 2,560 4.774,561 0.531,567 175.797,568 1.465,569 3.688,570 5.025,571 5.628,572 5.79,573 5.857,574 4.133,575 5.66,576 5.957,577 5.057,578 9875.64,579 10.594,580 305036,585 828.827,586 1.159,587 5.931,588 0.132,589 0.005,590 0.068,591 0.029,592 0.026,593 0.023,594 0.013,595 0.006,596 0.008,597 0.006,598 0.317,599 0.17,600 0.5,601 0.543,602 428.637,603 -0.03,604 -0.047,605 0.042,606 -0.017,607 0.007,608 0.018,609 0.065,610 -0.058,611 -0.091,612 -0.092,613 0.015,614 -0.112,615 -0.031,616 -0.108,617 0.016,618 -0.096,619 -0.003,620 -0.04,621 -0.128,622 0.046,623 -0.045,624 0.046,625 -0.063,626 0.019,627 -0.112,628 -0.01,629 -0.04,630 -0.007,631 -0.066,632 -0.011,633 -0.012,634 0.011,635 0.001,636 0.01,637 -0.011,638 0.009,639 0.009,640 0.073,641 0.005,642 0.042,643 0.023,644 0.024,645 -0.055,646 -0.057,647 -0.015,648 -0.018,649 -0.073,650 -0.013,651 1.95,652 5.459,653 0.571,654 132.065,655 0.998,656 1.123,657 3.443,658 11.856,659 0.658,660 4.234,661 4.489,662 4.727,663 4.934,664 5.176,665 5.252,666 5.384,667 5.468,668 5.587,669 5.673,670 17.686,671 0.623,672 852.13,673 4.234,674 5.746,675 6.569,676 7.412,677 8.255,678 9.108,679 9.963,680 10.825,681 11.687,682 12.555,683 4.2,690 2,692 2,693 1,699 16,700 1,704 7,706 24,707 2,721 1,724 120,726 30,727 3,728 68,730 125,731 51,733 23,734 6,735 12,739 6,740 6,748 2,749 2,751 12,752 2,753 29,754 20,755 2,756 4,761 2,763 4,765 2,772 57,773 12,774 3,775 12,779 5,784 1,785 7,795 1,802 6,816 2,822 4,831 4,832 6,840 63,845 1,846 14,847 2,848 4,850 6,853 2,858 2,860 2,862 5.8,864 1,865 2,866 4,869 31.5,870 20.717,871 14.444,872 7.54,874 3.382,875 1.372,876 0.944,877 18.941,878 12.479,879 4.489,880 4.927,881 5.394,882 5.822,883 6.293,884 6.402,885 6.69,886 6.823,887 7.15,888 7.51,889 0.95,890 94,891 23.451,893 9.885,894 7.77,895 44.967,897 36.803,899 2.27,900 143,904 635.64,905 289.854,906 114.926,908 136.973,911 289.854,912 772.612,913 114.926,915 74.763,916 171.292,917 219.913,918 99.327,919 23.542,920 588.555,922 635.64,923 404.78,924 136.973,927 565.013,928 163.6,929 44,930 0.719,931 154.977,932 194.394,933 54.691,935 635.64,936 251.898,937 289.854,940 636.359,941 67.264,942 188.667,943 69.225,944 215.877,945 635.64,946 251.898,947 289.854,949 0.559,950 0.322,951 0.169,952 0.093,953 33,954 15,955 0.168,956 21,958 1,959 7.21,960 649.127,962 36,963 368.569,968 46.857,969 25.467,970 14.724,972 251.898,973 29.014,974 4.292,978 4.673,980 78.705,981 1177.39,982 88,987 24.906,989 8.202,991 0.053,994 119.774,995 134.753,996 0.212,997 0.534,998 0.728,999 0.815,1000 0.838,1001 0.848,1002 5.714,1003 2.38,1004 6.503,1005 6.75,1006 5.176,1007 5.617,1008 3.819,1009 7.241,1010 5.139,1011 6.86,1012 2.323,1013 8.011,1014 6.375,1015 4.511,1016 5.047,1017 2.699,1018 8.026,1019 4.481,1020 8.115,1021 2.224,1022 9.625,1023 6.093,1024 6.691,1025 7.598,1026 4.966,1027 11.126,1028 6.62,1029 9.399,1030 1.844,1031 11.305,1032 6.091,1033 6.919,1034 7.893,1035 4.312,1036 12.82,1037 6.843,1038 10.717,1039 1.734,1040 13.032,1041 4.538,1042 8.483,1043 9.864,1044 6.244,1045 15.416,1046 8.373,1047 12.056,1048 1.69,1049 14.791,1050 4.268,1051 9.149,1052 10.583,1053 5.741,1054 17.482,1055 9.02,1056 13.413,1057 1.546,1058 16.574,1059 4.077,1060 10.449,1061 12.284,1062 7.573,1063 19.912,1064 10.29,1065 3.139,1066 1.518,1067 18.374,1068 3.717,1069 11.339,1070 13.238,1071 7.1,1072 22.137,1073 11.153,1074 3.084,1075 10.786,1076 20.189,1077 3.614,1078 12.523,1079 14.792,1080 8.927,1081 24.511,1082 12.307,1083 2.809,1084 10.361,1085 22.014,1086 3.856,1087 13.528,1088 15.885,1089 8.426,1090 26.806,1091 13.28,1092 2.766,1093 8.996,1094 23.849,1095 3.738,1096 14.666,1097 17.354,1098 10.294,1099 29.163,1100 14.387,1101 2.48,1102 8.887,1103 25.69,1104 3.73,1105 15.728,1106 18.533,1107 9.735,1108 31.49,1109 15.415,1110 2.386,1111 7.395,1112 27.538,1113 3.576,1114 16.85,1115 19.949,1116 11.671,1117 33.844,1118 16.505,1119 2.385,1120 6.772,1121 29.391,1122 3.06,1123 17.941,1124 21.182,1125 11.035,1126 36.186,1127 17.562,1128 124130,1129 199953,1130 46.285,1131 79.006,1132 101.007,1133 105.057,1134 100.019,1135 97.503,1136 97.579,1137 121.544,1138 28.326,1139 260.732,1140 95.647,1141 5.334,1142 6.057,1143 6.573,1144 5.181,1145 5.139,1146 6.856,1147 4.069,1148 17.864,1149 5.042,1150 28.127,1151 1.485,1152 1.545,1153 1.471,1154 1.434,1155 1.435,1156 1.787,1157 0.417,1158 3.834,1159 1.407,1160 4.048,1161 4.074,1162 3.981,1163 3.95,1164 7.431,1165 3.953,1166 3.969,1167 3.99,1168 3.911,1169 3.881,1170 7.427,1171 3.884,1172 3.894,1173 3.919,1174 3.839,1175 3.84,1176 6.823,1177 3.836,1178 3.88,1179 3.913,1180 3.821,1181 3.806,1182 6.818,1183 3.805,1184 3.819,1185 3.875,1186 3.705,1187 3.684,1188 6.469,1189 3.679,1190 3.771,1191 3.818,1192 3.666,1193 3.653,1194 4.947,1195 3.647,1196 3.727,1197 3.779,1198 3.604,1199 3.611,1200 4.864,1201 3.598,1202 3.66,1203 3.708,1204 3.562,1205 3.483,1206 4.802,1207 3.493,1208 0.064,1209 0.06,1210 0.098,1211 0.06,1212 0.046,1213 4.334,1214 0.057,1215 4.057,1216 0.03,1217 6.681,1218 0.159,1219 4.109,1220 0.045,1221 3.139,1222 3.856,1223 2.035,1224 10.786,1225 3.042,1226 1.952,1227 1.932,1228 2.067,1229 2.068,1230 1.37,1231 2.066,1232 1.94,1233 1.918,1234 2.058,1235 2.064,1236 1.365,1237 2.061,1238 1.896,1239 1.874,1240 2.024,1241 1.976,1242 1.359,1243 1.992,1244 1.875,1245 1.844,1246 2.001,1247 1.971,1248 1.164,1249 1.982,1250 1.792,1251 1.739,1252 1.995,1253 1.964,1254 1.152,1255 1.975,1256 1.765,1257 1.719,1258 1.951,1259 1.918,1260 1.114,1261 1.927,1262 1.738,1263 1.686,1264 1.928,1265 1.878,1266 1.11,1267 1.901,1268 1.617,1269 1.569,1270 1.827,1271 1.818,1272 1.059,1273 1.822,1274 4.92,1276 6.192,1278 7.658,1280 9.215,1282 10.826,1289 10.623,1290 9.375,1291 6.031,1292 24.992,1294 -1.707,1298 18.284,1299 4.261,1300 74.807,1301 175.797,1302 442.602,1303 602.995,1304 675.317,1305 694.827,1306 702.827,1307 184.001,1308 9.097,1309 175.82,1310 175.82,1311 36,1312 13.101,1313 4.954,1314 4.392,1315 117.263,1316 705,1317 570,1318 0.076,1319 459.017,1320 836.83,1321 1111.76,1322 204559,1324 44.066,1325 0.699,1326 0.566,1327 44.066,1328 35.649,1329 30.911,1330 0.455,1331 0.323,1332 21.718,1333 29.933,1334 21.338,1335 17.653,1336 30.911,1337 21.969,1338 25.881,1339 0.294,1340 0.18,1341 25.881,1342 15.883,1343 21.619,1344 0.193,1345 0.1,1346 21.619,1347 11.235,1348 17.092,1349 0.124,1350 0.056,1351 17.092,1352 7.719,1353 13.889,1354 0.079,1355 0.031,1356 13.889,1357 5.426,1358 0.132,1359 192.76,1360 0.147,1361 54.286,1362 0.181,1363 312,1364 908.164,1365 340.692,1366 869.087,1367 1158.59,1368 814,1369 356,1370 805.613,1371 385.084,1372 815.254,1373 1185.45,1374 767,1375 5} {0 CHEMBL320682,1 1.504,2 25.774,3 9.306,4 86.607,5 234.693,6 7.848,7 0.441,8 4.781,9 4.869,10 4.387,11 4.352,12 5.915,13 4.336,14 5.329,15 5.454,16 4.744,17 4.734,18 6.45,19 4.696,20 5.627,21 5.804,22 4.862,23 4.886,24 6.667,25 4.827,26 5.73,27 5.919,28 4.869,29 4.875,30 6.824,31 4.823,32 5.681,33 5.861,34 4.849,35 4.923,36 6.758,37 4.858,38 5.781,39 5.988,40 4.817,41 4.994,42 6.786,43 4.894,44 5.781,45 6.002,46 4.788,47 4.98,48 6.813,49 4.867,50 5.715,51 5.933,52 4.758,53 4.921,54 6.739,55 4.809,56 0.086,57 1.36,58 20.205,59 10.712,60 25.894,61 12.627,62 0.772,63 2.246,64 40.326,65 18.084,66 74.056,67 21.497,68 0.765,69 2.943,70 61.547,71 24.761,72 109.06,73 30.44,74 1.564,75 3.134,76 76.487,77 26.242,78 169.373,79 31.106,80 1.103,81 3.103,82 65.553,83 25.697,84 144.963,85 31.356,86 1.211,87 3.444,88 76.853,89 29.105,90 159.142,91 36.797,92 1.219,93 3.447,94 77.025,95 29.54,96 182.227,97 38.125,98 1.014,99 3.221,100 74.739,101 27.763,102 147.078,103 35.66,104 27,105 91,106 0.212,107 0.51,108 0.683,109 0.801,110 0.853,111 0.867,112 4.145,113 0.927,114 -6.07,115 -5.92,116 -5.51,118 45.9,120 6,121 2,124 2,126 2,127 2,133 4,140 18,141 5,142 4,143 2,154 3,168 29,171 4,172 19,177 2,180 29,185 1,186 23,191 2,194 20,197 1,198 30,201 1,203 2,206 18,209 2,210 23,215 1,218 26,221 1,222 17,225 1,227 2,229 37,233 3,234 16,239 2,242 41,247 7,252 4,255 39,258 8,259 12,264 2,267 33,270 12440,271 42.749,272 42.749,273 42.749,274 42.749,275 42.749,276 38.093,277 42.412,278 25.936,279 43.326,280 33.571,281 33.571,282 33.571,283 33.571,284 33.571,285 26.754,286 45.107,287 12.299,288 34.611,289 5.264,290 3.151,291 1.926,292 1.088,293 0.723,294 0.624,295 4.858,297 1,301 3495,302 5.148,306 1697.72,313 4.044,314 76.898,317 0.25,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.41,325 134.333,326 1598,327 4.352,328 4.057,329 6.691,330 4.122,331 3.154,332 3.87,333 2.443,334 10.824,335 3.046,336 4.237,337 3.747,338 6.543,339 4.055,340 3.084,341 3.827,342 2.443,343 10.361,344 2.991,345 4.236,346 3.683,347 6.42,348 3.881,349 2.914,350 3.821,351 2.035,352 9.822,353 2.807,354 4.232,355 3.644,356 6.181,357 3.836,358 2.899,359 3.738,360 1.902,361 9.224,362 2.755,363 4.108,364 3.585,365 6.096,366 3.763,367 2.766,368 3.576,369 1.902,370 8.887,371 2.704,372 3.807,373 3.297,374 5.679,375 3.434,376 2.466,377 3.047,378 0.869,379 7.448,380 2.384,381 3.68,382 3.113,383 5.299,384 3.377,385 2.385,386 2.855,387 0.869,388 6.772,389 2.365,390 3.663,391 2.985,392 5.238,393 3.355,394 2.379,395 2.804,396 0.286,397 6.386,398 2.301,399 3.553,400 2.812,401 5.139,402 3.222,403 2.23,404 2.75,405 0.286,406 6.371,407 2.207,408 3.503,409 2.513,410 5.045,411 3.192,412 2.19,413 2.672,414 0.22,415 5.738,416 2.176,417 3.229,418 2.477,419 4.926,420 2.963,421 2.01,422 2.354,423 0.22,424 5.725,425 1.889,426 3.142,427 2.373,428 4.545,429 2.687,430 1.713,431 2.216,433 4.439,434 1.663,435 3.09,436 2.16,437 4.401,438 2.667,439 1.689,440 2.196,442 4.268,443 1.648,444 3.042,445 2.045,446 4.221,447 2.503,448 1.539,449 2.038,451 3.899,452 1.48,453 2.88,454 1.96,455 4.1,456 2.471,457 1.514,458 2.02,460 3.609,461 1.443,462 29.514,463 0.476,464 1.16,465 0.019,466 78.25,467 1.262,468 39.5,469 0.637,470 38.75,471 0.625,472 67.277,473 1.085,474 65.886,475 0.604,476 75.51,477 1.218,478 15.574,479 0.251,480 14.781,481 0.238,482 0.072,484 0.288,487 0.78,488 1.134,489 0.688,490 1.05,491 0.648,492 0.931,493 0.932,494 1.116,495 0.881,496 1.08,497 0.634,498 1.049,499 1.064,500 1.126,501 0.922,502 1.095,503 0.849,504 1.031,505 1.477,506 0.916,507 1.091,508 0.948,509 1.083,510 0.937,511 1.168,512 1.034,513 0.973,514 1.017,515 1.01,516 1.019,517 1.043,518 0.973,519 1.054,520 1.004,521 0.999,522 1.039,523 0.921,524 0.946,525 0.952,526 0.955,527 0.842,528 1.003,529 0.943,530 1.005,531 1.057,532 1.026,533 1.012,534 1.036,535 9.5,536 0.396,537 6.444,538 3.438,539 2.907,540 2.09,541 1.453,542 0.72,543 0.599,544 0.457,545 113334,546 315459,547 2.114,548 43.1,549 8,550 28,551 2,552 2,553 1,554 4,556 2,558 1.894,559 2.022,560 4.547,561 -0.466,567 163.944,568 1.504,569 3.617,570 4.842,571 5.68,572 6.046,573 6.144,574 3.974,575 5.232,576 5.931,577 4.83,578 9132.8,579 10.577,580 253344,585 737.732,586 1.213,587 5.905,588 0.14,589 0.006,590 0.071,591 0.035,592 0.031,593 0.021,594 0.015,595 0.008,596 0.007,597 0.006,598 0.34,599 0.17,600 0.38,601 0.485,602 411.28,603 -0.028,604 -0.062,605 0.039,606 -0.036,607 -0.03,608 0.011,609 0.091,610 -0.085,611 -0.051,612 -0.087,613 0.038,614 -0.108,615 -0.03,616 -0.139,617 0.018,618 -0.101,619 -0.017,620 -0.053,621 -0.109,622 0.053,623 -0.035,624 0.028,625 -0.042,626 0.019,627 -0.069,628 -0.045,629 -0.057,630 -0.035,631 -0.018,632 -0.051,633 -0.076,634 0.008,635 -0.084,636 -0.012,637 -0.067,638 -0.041,639 -0.023,640 0.025,641 -0.001,642 0.038,643 0.036,644 0.011,645 -0.053,646 -0.033,647 -0.018,648 -0.021,649 -0.073,650 -0.018,651 2.136,652 5.874,653 0.677,654 120.385,655 1.007,656 1.114,657 4.843,658 23.459,659 0.683,660 4.234,661 4.522,662 4.787,663 5.03,664 5.273,665 5.318,666 5.46,667 5.549,668 5.62,669 5.687,670 15.003,671 0.655,672 855.44,673 4.234,674 5.765,675 6.605,676 7.466,677 8.323,678 9.191,679 10.056,680 10.929,681 11.799,682 12.674,683 1.8,692 1,693 1,699 20,700 1,704 9,706 30,707 1,721 1,723 1,724 109,726 35,727 4,728 68,730 115,731 50,733 29,734 8,735 16,739 7,740 7,741 1,748 2,749 2,751 8,752 1,753 35,754 14,755 2,756 4,761 2,763 4,765 2,772 47,773 11,774 1,775 12,776 1,779 2,784 1,785 9,795 1,802 7,819 2,822 4,831 4,832 7,837 1,840 62,845 1,846 8,848 6,850 6,853 1,858 1,860 1,861 1,862 8.3,864 1,865 2,866 4,867 2,869 30.667,870 19.076,871 13.917,872 6.575,874 4.88,875 1.51,876 0.958,877 16.099,878 14.446,879 4.5,880 5.001,881 5.49,882 5.964,883 6.44,884 6.473,885 6.755,886 6.964,887 7.216,888 7.532,889 0.941,890 98,891 23.096,893 9.933,894 7.806,895 43.702,897 35.947,899 2.306,900 142.944,904 541.471,905 312.583,906 47.845,907 39.149,908 158.973,911 312.583,912 739.592,913 47.845,915 24.392,916 209.197,917 208.285,918 101.069,919 23.542,920 494.386,921 39.149,922 541.471,923 360.428,924 158.973,925 39.149,927 517.928,928 138.515,929 44,930 0.719,931 73.546,932 231.472,933 93.839,935 541.471,936 206.817,937 351.732,940 542.19,941 68.69,942 226.572,943 16.602,944 245.966,945 541.471,946 206.817,947 351.732,949 0.568,950 0.332,951 0.182,952 0.102,953 38,954 17,955 0.157,956 18,958 1,959 6.88,960 680.742,962 42,963 363.16,968 44.433,969 22.463,970 12.278,972 206.817,973 35.588,974 4.285,978 4.731,980 42.683,981 1100.02,982 89,987 25.741,989 7.832,991 -0.927,994 109.796,995 121.375,996 0.222,997 0.534,998 0.715,999 0.839,1000 0.893,1001 0.908,1002 5.732,1003 2.379,1004 6.558,1005 6.772,1006 5.209,1007 5.69,1008 3.812,1009 7.332,1010 5.145,1011 6.897,1012 2.23,1013 8.09,1014 6.386,1015 4.635,1016 5.207,1017 3.173,1018 8.174,1019 4.532,1020 8.168,1021 2.19,1022 9.726,1023 6.371,1024 6.76,1025 7.727,1026 5.111,1027 11.286,1028 6.636,1029 9.468,1030 2.01,1031 11.427,1032 5.738,1033 7.057,1034 8.08,1035 5.171,1036 13.006,1037 6.886,1038 10.8,1039 1.713,1040 13.171,1041 5.725,1042 8.595,1043 10.043,1044 6.61,1045 15.614,1046 8.404,1047 12.154,1048 1.689,1049 14.946,1050 4.439,1051 9.31,1052 10.814,1053 6.996,1054 17.689,1055 9.07,1056 13.527,1057 1.539,1058 16.742,1059 4.268,1060 10.598,1061 12.512,1062 8.21,1063 20.123,1064 10.336,1065 3.154,1066 1.514,1067 18.555,1068 3.899,1069 11.519,1070 13.512,1071 8.779,1072 22.347,1073 11.21,1074 3.084,1075 10.824,1076 20.379,1077 3.609,1078 12.699,1079 15.065,1080 9.872,1081 24.719,1082 12.364,1083 2.914,1084 10.361,1085 22.213,1086 3.87,1087 13.721,1088 16.198,1089 10.554,1090 27.009,1091 13.342,1092 2.899,1093 9.822,1094 24.054,1095 3.827,1096 14.858,1097 17.667,1098 11.576,1099 29.361,1100 14.45,1101 2.766,1102 9.224,1103 25.901,1104 3.821,1105 15.928,1106 18.879,1107 12.33,1108 31.682,1109 15.48,1110 2.466,1111 8.887,1112 27.753,1113 3.738,1114 17.049,1115 20.297,1116 13.307,1117 34.03,1118 16.57,1119 2.385,1120 7.448,1121 29.609,1122 3.576,1123 18.144,1124 21.556,1125 14.107,1126 36.366,1127 17.627,1128 104587,1129 174765,1130 46.402,1131 74.472,1132 101.713,1133 104.59,1134 101.884,1135 99.404,1136 99.236,1137 126.303,1138 26.948,1139 273.614,1140 95.886,1141 5.352,1142 6.057,1143 6.493,1144 5.206,1145 5.154,1146 6.87,1147 4.477,1148 17.911,1149 5.046,1150 27.07,1151 1.496,1152 1.538,1153 1.498,1154 1.462,1155 1.459,1156 1.857,1157 0.396,1158 4.024,1159 1.41,1160 4.047,1161 4.069,1162 4.041,1163 3.95,1164 7.434,1165 3.952,1166 3.968,1167 3.988,1168 3.942,1169 3.88,1170 7.43,1171 3.882,1172 3.912,1173 3.924,1174 3.882,1175 3.832,1176 6.82,1177 3.824,1178 3.882,1179 3.911,1180 3.861,1181 3.819,1182 6.469,1183 3.823,1184 3.879,1185 3.903,1186 3.82,1187 3.801,1188 4.987,1189 3.802,1190 3.756,1191 3.797,1192 3.653,1193 3.657,1194 4.933,1195 3.647,1196 3.742,1197 3.787,1198 3.638,1199 3.639,1200 4.866,1201 3.631,1202 3.617,1203 3.65,1204 3.526,1205 3.453,1206 4.802,1207 3.457,1208 0.064,1209 0.06,1210 0.098,1211 0.061,1212 0.046,1213 4.352,1214 0.057,1215 4.057,1216 0.036,1217 6.691,1218 0.159,1219 4.122,1220 0.045,1221 3.154,1222 3.87,1223 2.443,1224 10.824,1225 3.046,1226 1.946,1227 1.927,1228 2.063,1229 2.065,1230 1.366,1231 2.062,1232 1.94,1233 1.918,1234 2.057,1235 2.063,1236 1.36,1237 2.061,1238 1.88,1239 1.859,1240 1.996,1241 1.993,1242 1.152,1243 1.986,1244 1.877,1245 1.855,1246 1.979,1247 1.965,1248 1.147,1249 1.974,1250 1.868,1251 1.843,1252 1.976,1253 1.953,1254 1.108,1255 1.966,1256 1.76,1257 1.719,1258 1.943,1259 1.892,1260 1.104,1261 1.91,1262 1.744,1263 1.7,1264 1.92,1265 1.875,1266 1.035,1267 1.894,1268 1.579,1269 1.54,1270 1.795,1271 1.77,1272 1.011,1273 1.774,1274 4.92,1276 6.217,1278 7.71,1280 9.295,1282 10.929,1285 6.437,1289 10.67,1290 3.135,1292 36.248,1294 -2.088,1298 9.164,1299 2.129,1300 71.42,1301 163.944,1302 394.262,1303 527.78,1304 619.103,1305 658.977,1306 669.732,1307 163.675,1308 9.566,1309 146.43,1310 146.43,1311 42,1312 13.214,1313 5.17,1314 4.459,1315 102.413,1316 572,1317 544,1318 0.082,1319 435.046,1320 793.42,1321 1053.27,1322 340912,1323 0.9,1324 43.099,1325 0.695,1326 0.56,1327 43.599,1328 34.719,1329 30.356,1330 0.446,1331 0.309,1332 20.398,1333 29.032,1334 20.024,1335 16.487,1336 30.644,1337 21.005,1338 26.195,1339 0.288,1340 0.169,1341 26.566,1342 15.358,1343 22.1,1344 0.186,1345 0.092,1346 22.458,1347 10.93,1348 18.223,1349 0.12,1350 0.05,1351 18.544,1352 7.588,1353 15.051,1354 0.078,1355 0.027,1356 15.269,1357 5.315,1358 0.138,1359 192.978,1360 0.147,1361 52.536,1362 0.202,1363 318,1364 993.528,1365 366.711,1366 966.553,1367 1291.19,1368 906,1369 369,1370 896.232,1371 414.214,1372 907.323,1373 1333.86,1374 855,1375 5} {0 CHEMBL321301,1 1.361,2 9,3 3.884,4 15.082,5 82.857,6 6.748,7 0.545,8 3.786,9 3.904,10 3.25,11 3.365,12 4.87,13 3.311,14 4.304,15 4.479,16 3.508,17 3.733,18 5.391,19 3.631,20 4.614,21 4.857,22 3.49,23 3.864,24 5.466,25 3.717,26 4.638,27 4.893,28 3.462,29 3.861,30 5.459,31 3.704,32 4.658,33 4.909,34 3.502,35 3.887,36 5.521,37 3.734,38 4.676,39 4.94,40 3.417,41 3.848,42 5.536,43 3.68,44 4.57,45 4.846,46 3.212,47 3.689,48 5.406,49 3.505,50 4.361,51 4.641,52 3.047,53 3.441,54 5.258,55 3.272,56 0.037,57 0.542,58 9.215,59 4.245,60 8.162,61 5.638,62 0.173,63 0.878,64 16.114,65 6.992,66 35.365,67 9.63,68 0.18,69 1.11,70 22.874,71 9.317,72 36.574,73 13.008,74 0.18,75 1.136,76 23.497,77 9.472,78 34.311,79 13.373,80 0.18,81 1.17,82 23.952,83 9.596,84 36.237,85 13.579,86 0.201,87 1.182,88 24.619,89 9.503,90 39.533,91 13.608,92 0.196,93 1.04,94 22.331,95 8.449,96 39.724,97 12.139,98 0.15,99 0.822,100 18.189,101 6.791,102 27.115,103 9.707,104 11,105 27,106 0.241,107 0.541,108 0.706,109 0.839,110 0.879,111 0.879,112 3.102,113 1.014,114 -4.23,115 -4.17,116 -3.94,118 42.9,120 5,121 1,140 7,141 2,143 2,154 1,163 1,167 1,168 15,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 15,219 1,222 4,227 1,229 12,230 1,234 3,239 1,242 8,243 2,247 3,252 2,255 4,256 3,259 3,260 1,264 3,267 1,268 3,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.703,277 11.276,278 9.19,279 14.434,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.578,286 14.267,287 4.421,288 11.014,289 4.031,290 2.339,291 1.409,292 0.655,293 0.429,294 0.429,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 15.944,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 189,327 4.246,328 3.596,329 6.498,330 4.005,331 3.006,332 3.727,333 2.341,334 10.173,335 3.001,336 3.736,337 3.344,338 5.247,339 3.27,340 2.278,341 3.298,342 0.68,343 6.4,344 2.259,345 3.55,346 2.361,347 4.659,348 3.24,349 2.234,350 2.71,352 5.184,353 2.222,354 3.145,355 1.844,356 4.22,357 2.792,358 1.802,359 2.369,361 4.049,362 1.781,363 2.781,364 1.67,365 3.654,366 2.548,367 1.555,368 1.908,370 3.193,371 1.541,372 2.695,373 1.38,374 3.555,375 2.3,376 1.317,377 1.7,379 2.88,380 1.293,381 2.5,382 1.175,383 3.319,384 2,385 1,386 1.5,388 2.252,389 1,390 2.5,391 1,392 3.247,393 1.999,394 1,395 1.5,397 2.136,398 0.995,399 2.197,400 1,401 3.247,402 1.955,403 1,404 1.142,406 2.136,407 0.953,408 1.62,409 0.737,410 2.804,411 1.444,412 0.445,413 0.502,415 1.01,416 0.442,417 0.908,418 0.413,419 2.198,420 0.739,421 -0.263,422 -0.284,424 -0.58,425 -0.26,426 0.719,427 -0.026,428 2.191,429 0.277,430 -0.705,431 -0.952,433 -1.547,434 -0.688,435 0.512,436 -0.529,437 1.555,438 0.129,439 -0.878,440 -0.989,442 -1.954,443 -0.852,444 0.5,445 -0.67,446 1.555,448 -1,449 -1.335,451 -2,452 -0.973,453 0.5,454 -1,455 1.54,456 -0.017,457 -1,458 -1.5,460 -2.347,461 -0.982,462 10.067,463 0.479,464 0.315,465 0.015,466 25.5,467 1.214,468 13.5,469 0.643,470 12,471 0.571,472 16.298,473 0.776,474 22.933,475 0.546,476 16.105,477 0.767,478 4.892,479 0.233,480 5.379,481 0.256,482 0.066,484 0.199,487 0.748,488 1.146,489 0.905,490 1.072,491 0.693,492 1.019,493 0.448,494 1.187,495 1.022,496 1.19,497 0.395,498 1.174,499 0.788,500 0.979,501 0.988,502 0.994,503 0.821,504 1.015,505 0.704,506 0.972,507 0.969,508 0.988,509 0.695,510 1.007,511 0.711,512 1.024,513 0.984,514 1.015,515 0.698,516 1.03,517 0.758,518 1.028,519 1.027,520 1.021,521 0.725,522 1.047,523 0.811,524 0.989,525 1.034,526 1.001,527 0.807,528 1.034,529 0.842,530 0.961,531 0.931,532 0.981,533 0.851,534 0.965,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 11673,547 2.023,548 50,549 9,550 7,552 2,553 1,554 2,558 1.634,559 1.938,560 3.146,561 -0.385,563 1,565 1,567 57.18,568 1.361,569 3.053,570 3.984,571 4.737,572 4.964,573 4.964,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,582 1,584 1,585 226.477,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.67,600 1,601 1.787,602 95.963,603 -0.045,604 -0.005,605 0.011,606 0.036,607 -0.026,608 0.029,609 0.188,610 -0.105,611 -0.104,612 -0.134,613 0.214,614 -0.149,615 -0.058,617 -0.044,618 0.011,619 -0.069,620 -0.013,621 -0.038,622 0.004,623 -0.028,624 0.007,625 -0.043,626 -0.008,627 -0.039,628 -0.037,629 -0.043,630 -0.021,631 -0.049,632 -0.032,633 -0.054,634 -0.045,635 -0.077,636 -0.049,637 -0.067,638 -0.063,639 -0.059,640 -0.027,641 -0.076,642 -0.043,643 -0.095,644 -0.058,645 0.006,646 -0.021,647 0.04,648 -0.03,649 -0.022,650 0.006,651 2.373,652 3.531,653 0.571,654 17.946,655 0.99,656 1.121,657 3.004,658 9.026,659 0.655,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.612,672 283.4,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 2.4,693 1,699 9,700 1,704 2,706 12,724 42,726 13,727 1,728 22,730 43,731 18,733 11,734 1,735 5,739 2,740 2,751 5,753 12,754 6,755 1,756 1,761 1,765 1,769 1,772 21,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,830 1,832 2,840 21,845 1,846 5,850 1,862 4.8,864 1,865 1,869 10.833,870 7.15,871 4.889,872 2.683,874 1.843,875 1.303,876 0.917,877 6.112,878 7.923,879 3.401,880 3.85,881 4.27,882 4.756,883 5.238,884 5.119,885 5.468,886 5.749,887 5.901,888 5.991,889 0.833,890 26,891 7.75,893 3.129,894 7.778,895 15,897 11.964,899 2.278,900 47.833,901 0.001,904 235.422,905 104.382,906 16.786,908 67.828,911 104.382,912 303.25,913 16.786,915 12.673,916 66.334,917 109.066,918 24.466,920 211.88,922 235.422,923 121.168,924 67.828,927 235.422,928 67.828,931 30.767,932 73.615,933 16.786,935 235.422,936 84.614,937 104.382,940 235.422,941 19.954,942 84.429,944 84.614,945 235.422,946 84.614,947 104.382,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.186,956 8,958 1,959 3.422,960 144.194,962 12,963 88.239,968 15.403,969 8.333,970 5.128,972 84.614,973 18.234,974 4.221,978 2.519,980 42.683,981 424.418,982 29,987 10.531,991 -0.707,994 41.592,995 47.069,996 0.252,997 0.566,998 0.739,999 0.879,1000 0.921,1001 0.921,1002 4.554,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.533,1008 2.35,1009 5.964,1010 3.992,1011 5.678,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.829,1017 2.243,1018 6.676,1019 3.209,1020 6.909,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.51,1026 3.64,1027 9.798,1028 5.419,1029 8.173,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.62,1035 4.112,1036 11.516,1037 5.553,1038 9.474,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.764,1044 5.203,1045 14.116,1046 7.16,1047 10.799,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.297,1053 5.889,1054 16.209,1055 7.773,1056 12.146,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.153,1062 6.849,1063 18.633,1064 9.095,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 11.942,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 13.618,1080 8.526,1081 23.227,1082 11.149,1083 2.234,1084 6.4,1085 20.712,1086 3.727,1087 12.157,1088 14.574,1089 9.342,1090 25.512,1091 12.136,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.13,1098 10.216,1099 27.849,1100 13.271,1101 1.555,1102 4.049,1103 24.406,1104 2.71,1105 14.341,1106 17.199,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 3.193,1112 26.261,1113 2.369,1114 15.456,1115 18.674,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 19.821,1125 12.755,1126 34.795,1127 16.505,1128 4310,1129 7219,1130 14.792,1131 27.529,1132 31.575,1133 31.737,1134 31.811,1135 31.287,1136 31.277,1137 40.711,1138 6.042,1139 78.826,1140 30.976,1141 5.181,1142 5.596,1143 6.3,1144 5.04,1145 5.006,1146 6.727,1147 3.925,1148 16.907,1149 5.001,1150 8.506,1151 1.435,1152 1.443,1153 1.446,1154 1.422,1155 1.422,1156 1.851,1157 0.275,1158 3.583,1159 1.408,1160 3.998,1161 4.032,1162 3.929,1163 3.936,1164 7.474,1165 3.929,1166 3.788,1167 3.828,1168 3.716,1169 3.704,1170 6.351,1171 3.702,1172 3.733,1173 3.784,1174 3.602,1175 3.594,1176 4.906,1177 3.584,1178 3.478,1179 3.521,1180 3.353,1181 3.304,1182 4.731,1183 3.305,1184 3.175,1185 3.218,1186 3.043,1187 2.994,1188 4.125,1189 2.999,1190 2.875,1191 2.936,1192 2.687,1193 2.735,1194 3.889,1195 2.715,1196 2.854,1197 2.925,1198 2.686,1199 2.653,1200 3.781,1201 2.656,1202 2.769,1203 2.851,1204 2.625,1205 2.62,1206 3.674,1207 2.609,1208 0.193,1209 0.163,1210 0.295,1211 0.182,1212 0.137,1213 4.246,1214 0.169,1215 3.596,1216 0.106,1217 6.498,1218 0.462,1219 4.005,1220 0.136,1221 3.006,1222 3.727,1223 2.341,1224 10.173,1225 3.001,1226 1.978,1227 1.949,1228 2.106,1229 2.064,1230 1.412,1231 2.079,1232 1.785,1233 1.748,1234 1.968,1235 1.9,1236 1.216,1237 1.923,1238 1.727,1239 1.673,1240 1.907,1241 1.891,1242 0.972,1243 1.899,1244 1.445,1245 1.396,1246 1.694,1247 1.657,1248 0.89,1249 1.665,1250 1.134,1251 1.089,1252 1.389,1253 1.368,1254 0.591,1255 1.37,1256 0.886,1257 0.821,1258 1.181,1259 1.109,1260 0.302,1261 1.123,1262 0.838,1263 0.779,1264 1.147,1265 1.062,1266 0.218,1267 1.107,1268 0.766,1269 0.701,1270 1.049,1271 0.987,1272 0.111,1273 1.011,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1289 8.67,1290 4.028,1294 0.338,1300 25.719,1301 57.18,1302 128.243,1303 167.316,1304 198.968,1305 208.477,1306 208.477,1307 38.758,1308 6.08,1309 50.19,1310 50.19,1311 12,1312 11.739,1313 3.807,1314 3,1315 39.153,1316 65,1317 79,1318 0.274,1319 162.941,1320 283.54,1321 389.336,1322 2704,1324 14.916,1325 0.71,1326 0.577,1327 14.916,1328 12.112,1329 10.271,1330 0.467,1331 0.338,1332 7.392,1333 10.047,1334 7.236,1335 6.05,1336 10.271,1337 7.438,1338 8.492,1339 0.315,1340 0.194,1341 8.492,1342 5.243,1343 6.33,1344 0.198,1345 0.115,1346 6.33,1347 3.672,1348 5.09,1349 0.131,1350 0.067,1351 5.09,1352 2.595,1353 4.034,1354 0.088,1355 0.039,1356 4.034,1357 1.777,1358 0.428,1359 63.28,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 267.53,1365 103.816,1366 262.751,1367 346.44,1368 244,1369 108,1370 238.779,1371 112.157,1372 244.44,1373 345.46,1374 230,1375 5.569} {0 CHEMBL321549,1 1.779,2 13.559,3 3.99,4 15.921,5 127.052,6 8.214,7 0.568,8 4.186,9 4.286,10 3.947,11 3.742,12 5.323,13 3.717,14 4.727,15 4.882,16 4.254,17 4.135,18 6.078,19 4.095,20 4.967,21 5.156,22 4.278,23 4.279,24 6.125,25 4.201,26 5.095,27 5.297,28 4.22,29 4.296,30 6.237,31 4.209,32 5.094,33 5.318,34 4.194,35 4.292,36 6.115,37 4.195,38 5.129,39 5.356,40 4.188,41 4.309,42 6.323,43 4.195,44 5.128,45 5.382,46 4.015,47 4.233,48 6.111,49 4.091,50 5.02,51 5.276,52 4.024,53 4.106,54 6.054,55 3.971,56 0.157,57 0.962,58 13.366,59 5.7,60 25.621,61 6.47,62 0.578,63 1.536,64 22.994,65 9.292,66 80.928,67 11.197,68 0.543,69 1.854,70 34.475,71 13.026,72 69.144,73 15.328,74 0.79,75 1.935,76 39.922,77 13.708,78 115.471,79 16.376,80 0.766,81 1.899,82 40.117,83 13.876,84 107.814,85 17.626,86 0.942,87 1.975,88 39.98,89 14.523,90 139.166,91 19.571,92 0.83,93 1.865,94 40.934,95 14.272,96 114.919,97 19.25,98 0.827,99 1.694,100 38.925,101 12.926,102 109.648,103 16.793,104 38,105 53,106 0.285,107 0.647,108 0.806,109 0.865,110 0.876,111 0.876,112 3.56,113 0.998,114 -3.85,115 -3.81,116 -3.62,118 40.7,119 1,120 2,124 3,140 7,141 3,142 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 9,169 1,171 2,172 5,175 3,177 2,180 8,181 2,185 1,186 11,191 5,194 7,195 2,198 11,203 4,206 6,207 1,209 1,210 7,211 1,213 1,215 1,218 9,219 1,221 1,222 6,225 1,227 1,229 8,233 2,234 3,235 1,239 3,242 3,243 1,246 1,247 6,250 2,252 4,256 1,259 9,260 1,264 2,270 2370,271 22.507,272 22.507,273 22.507,274 22.507,275 22.507,276 19.5,277 20.512,278 13.144,279 23.019,280 18.229,281 18.229,282 18.229,283 18.229,284 18.229,285 13.62,286 18.143,287 6.217,288 19.109,289 4.104,290 1.847,291 0.854,292 0.487,293 0.42,294 0.42,295 4.249,300 1,301 990,302 4.416,305 171.518,306 227.584,309 156.703,313 1.761,314 49.947,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 75.5,326 461,327 4.844,328 4.683,329 7.293,330 4.308,331 3.374,332 4.729,333 1.437,334 12.404,335 3.238,336 4.76,337 3.591,338 7.017,339 4.291,340 3.34,341 4.697,342 0.522,343 11.978,344 3.063,345 4.078,346 3.437,347 5.984,348 3.711,349 2.721,350 3.582,352 8.438,353 2.686,354 3.91,355 2.875,356 5.681,357 3.448,358 2.521,359 3.448,361 7.487,362 2.334,363 3.835,364 2.704,365 5.583,366 3.352,367 2.401,368 3.393,370 6.828,371 2.273,372 3.47,373 2.321,374 5.259,375 3.087,376 2.121,377 2.839,379 6.376,380 2.043,381 3.439,382 2.255,383 5.149,384 3.005,385 2.029,386 2.748,388 6.32,389 1.968,390 3.085,391 1.963,392 4.733,393 2.691,394 1.728,395 2.292,397 4.771,398 1.656,399 2.778,400 1.777,401 3.948,402 2.519,403 1.539,404 1.818,406 3.478,407 1.496,408 2.708,409 1.631,410 3.817,411 2.268,412 1.288,413 1.705,415 2.979,416 1.249,417 2.58,418 1.337,419 3.669,420 2.097,421 1.145,422 1.602,424 2.654,425 1.082,426 2.5,427 1.149,428 3.562,429 2.006,430 1.029,431 1.5,433 2.524,434 1.001,435 2.38,436 1,437 3.414,438 2,439 1,440 1.328,442 2.275,443 1,444 2.118,445 0.945,446 3.311,447 1.712,448 0.741,449 0.927,451 1.72,452 0.717,453 1.921,454 0.691,455 3.075,456 1.554,457 0.618,458 0.851,460 1.372,461 0.577,462 16.052,463 0.472,464 0.999,465 0.029,466 44.5,467 1.309,468 22.5,469 0.662,470 22,471 0.647,472 29.977,473 0.882,474 37.348,475 0.633,476 37.285,477 1.097,478 8.747,479 0.257,480 7.512,481 0.221,482 0.132,483 0.052,484 0.299,486 1,487 0.614,488 1.273,489 0.785,490 1.215,491 0.635,492 0.959,493 0.597,494 0.994,495 0.832,496 0.928,497 0.456,498 0.908,499 0.869,500 1.062,501 1.099,502 1.137,503 0.763,504 1.049,505 1.093,506 1.006,507 1.193,508 1.096,509 1.02,510 1.117,511 0.787,512 0.814,513 0.938,514 0.954,515 0.78,516 1.012,517 0.478,518 0.952,519 0.869,520 1.075,521 0.483,522 1.148,523 0.719,524 0.876,525 0.871,526 0.918,527 0.721,528 1.081,529 0.831,530 0.84,531 0.884,532 0.86,533 0.825,534 0.96,535 7.5,536 0.29,537 4.667,538 3.146,539 1.716,540 1.566,541 0.725,542 0.394,543 0.411,544 0.425,545 17313,546 57948,547 2.035,548 42.4,549 3,550 13,551 1,552 2,553 2,555 4,558 1.761,559 1.88,560 3.671,561 0.235,563 1,567 104.94,568 1.779,569 4.036,570 5.028,571 5.395,572 5.463,573 5.463,574 3.02,575 4.617,576 5.058,577 3.879,578 2175.84,579 8.874,580 34351.8,585 347.076,586 1.611,587 4.999,588 0.203,589 0.008,590 0.088,591 0.059,592 0.035,593 0.033,594 0.015,595 0.01,596 0.011,597 0.011,598 0.474,599 0.33,600 0.88,601 0.741,602 183.855,603 0.007,604 -0.171,605 0.167,606 -0.073,607 -0.093,608 0.015,609 0.153,610 0.049,611 0.046,612 0.061,613 0.215,614 0.037,615 -0.078,616 -0.04,617 -0.084,618 -0.072,619 0.002,620 -0.047,621 -0.189,622 -0.076,623 -0.213,624 -0.108,625 -0.11,626 -0.143,627 -0.056,628 0.02,629 -0.031,630 -0.015,631 -0.07,632 -0.012,633 0.217,634 -0.076,635 -0.004,636 -0.142,637 0.179,638 -0.128,639 -0.004,640 -0.069,641 -0.001,642 -0.026,643 -0.052,644 -0.061,645 -0.001,646 0.016,647 0.103,648 0.083,649 -0.053,650 0.057,651 4.614,652 5.378,653 0.588,654 39.512,655 1.017,656 1.13,657 2.618,658 6.856,659 0.675,660 3.638,661 3.989,662 4.248,663 4.489,664 4.691,665 4.828,666 4.934,667 5.017,668 5.037,669 5.05,670 7.981,671 0.649,672 484.6,673 3.638,674 5.198,675 6.052,676 6.942,677 7.82,678 8.719,679 9.608,680 10.512,681 11.408,682 12.316,683 6.8,685 1,691 2,693 1,698 2,699 10,700 1,704 5,705 2,706 21,714 1,723 1,724 59,726 24,727 2,728 37,730 62,731 24,733 17,734 5,735 7,736 1,739 4,740 5,745 1,751 2,753 18,754 6,756 3,760 1,761 3,765 1,770 1,772 25,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,830 1,832 3,834 1,836 1,838 1,840 34,844 1,845 1,846 5,847 1,861 1,862 6.8,864 1,865 3,869 18.083,870 10.693,871 7.375,872 3.444,874 3.551,875 1.454,876 0.987,877 7.173,878 11.367,879 3.942,880 4.605,881 5.173,882 5.754,883 6.238,884 6.622,885 7.023,886 7.349,887 7.521,888 7.724,889 0.889,890 53,891 12.865,893 5.821,894 8.096,895 23.622,897 19.687,899 2.596,900 88.25,904 270.735,905 144.493,906 36.989,908 112.141,909 14.96,910 5.807,911 138.685,912 382.877,913 51.949,914 8.825,915 11.386,916 97.594,917 161.997,918 32.461,919 31.632,920 235.422,922 270.735,923 175.674,924 127.101,925 5.807,927 238.611,928 159.226,931 58.081,932 100.808,933 22.593,935 285.695,936 149.13,937 144.493,939 5.807,940 270.735,941 36.813,942 105.671,943 16.405,944 143.887,945 270.735,946 164.09,947 144.493,949 0.59,950 0.34,951 0.174,952 0.094,953 25,954 12,955 0.161,956 10,957 1,958 1.1,959 4.447,960 313.305,961 0.1,962 20,963 166.974,967 1,968 24.148,969 10.1,970 5.411,971 1.816,972 160.292,973 15.12,974 4.098,978 1.816,979 4.109,980 59.088,981 579.318,982 50.5,986 -3.697,987 36.21,991 -0.973,994 60.025,995 66.658,996 0.302,997 0.686,998 0.855,999 0.917,1000 0.929,1001 0.929,1002 5.189,1003 1.728,1004 6.075,1005 6.32,1006 4.673,1007 5.293,1008 1.736,1009 6.938,1010 4.582,1011 6.442,1012 1.539,1013 7.677,1014 4.771,1015 4.443,1016 5.394,1018 8.132,1019 4.267,1020 7.8,1021 1.288,1022 9.394,1023 3.478,1024 6.354,1025 7.649,1026 2.269,1027 11.194,1028 6.157,1029 9.203,1030 1.145,1031 11.18,1032 2.979,1033 6.957,1034 8.59,1036 13.231,1037 6.668,1038 10.643,1039 1.029,1040 13.012,1041 2.654,1042 8.385,1043 10.367,1044 2.925,1045 15.889,1046 8.068,1047 12.111,1048 1,1049 14.877,1050 2.524,1051 9.34,1052 11.66,1054 18.23,1055 8.937,1056 13.599,1057 0.741,1058 16.765,1059 2.275,1060 10.608,1061 13.28,1062 3.619,1063 20.778,1064 10.167,1065 3.374,1066 0.618,1067 18.671,1068 1.72,1069 11.71,1070 14.72,1072 23.225,1073 11.194,1074 3.34,1075 12.404,1076 20.591,1077 1.372,1078 12.929,1079 16.289,1080 4.33,1081 25.741,1082 12.364,1083 2.721,1084 11.978,1085 22.521,1086 4.729,1087 14.092,1088 17.792,1090 28.225,1091 13.461,1092 2.521,1093 8.438,1094 24.461,1095 4.697,1096 15.298,1097 19.345,1098 5.047,1099 30.732,1100 14.614,1101 2.401,1102 7.487,1103 26.407,1104 3.582,1105 16.487,1106 20.874,1108 33.23,1109 15.741,1110 2.121,1111 6.828,1112 28.359,1113 3.448,1114 17.692,1115 22.423,1116 5.769,1117 35.735,1118 16.892,1119 2.029,1120 6.376,1121 30.315,1122 3.393,1123 18.891,1124 23.963,1126 38.237,1127 18.034,1128 16603,1129 30573,1130 24.156,1131 39.801,1132 56.027,1133 57.818,1134 57.313,1135 55.878,1136 55.754,1137 75.548,1138 3.916,1139 164.643,1140 53.307,1141 5.784,1142 6.683,1143 7.031,1144 5.372,1145 5.374,1146 7.729,1147 2.873,1148 19.634,1149 5.238,1150 19.452,1151 1.514,1152 1.563,1153 1.549,1154 1.51,1155 1.507,1156 2.042,1157 0.106,1158 4.45,1159 1.441,1160 4.181,1161 4.213,1162 4.735,1163 4.096,1164 8.201,1165 4.099,1166 4.066,1167 4.045,1168 4.142,1169 4.046,1170 7.717,1171 3.964,1172 3.884,1173 3.947,1174 3.829,1175 3.684,1176 7.475,1177 3.712,1178 3.711,1179 3.759,1180 3.724,1181 3.588,1182 6.999,1183 3.562,1184 3.61,1185 3.623,1186 3.565,1187 3.483,1188 6.351,1189 3.464,1190 3.5,1191 3.519,1192 3.411,1193 3.378,1194 4.974,1195 3.354,1196 3.215,1197 3.28,1198 3.089,1199 3.029,1200 4.852,1201 3.028,1202 3.124,1203 3.149,1204 2.997,1205 2.875,1206 4.585,1207 2.897,1208 0.131,1209 0.127,1210 0.197,1211 0.116,1212 0.091,1213 4.844,1214 0.128,1215 4.683,1216 0.039,1217 7.293,1218 0.335,1219 4.308,1220 0.088,1221 3.374,1222 4.729,1223 1.437,1224 12.404,1225 3.238,1226 1.959,1227 1.962,1228 2.042,1229 2.056,1230 1.328,1231 2.074,1232 1.95,1233 1.938,1234 1.977,1235 2.024,1236 1.194,1237 2.04,1238 1.785,1239 1.731,1240 1.954,1241 1.952,1242 1.153,1243 1.954,1244 1.641,1245 1.59,1246 1.832,1247 1.832,1248 1.07,1249 1.842,1250 1.447,1251 1.438,1252 1.628,1253 1.661,1254 0.805,1255 1.67,1256 1.387,1257 1.339,1258 1.549,1259 1.572,1260 0.713,1261 1.595,1262 1.286,1263 1.23,1264 1.469,1265 1.524,1266 0.512,1267 1.512,1268 1.23,1269 1.195,1270 1.263,1271 1.47,1272 0.441,1273 1.453,1274 4.317,1276 5.659,1277 3.045,1278 7.183,1279 5.416,1280 8.792,1281 7.535,1282 10.451,1284 1.98,1286 13.063,1289 9.387,1290 2.765,1291 2.557,1300 38.31,1301 104.94,1302 238.099,1303 296.67,1304 318.321,1305 322.321,1306 322.321,1307 87,1308 7.816,1309 106.22,1310 114.6,1311 22,1312 12.835,1313 4.644,1314 3.858,1315 56.944,1316 158,1317 184,1318 0.167,1319 237.63,1320 408.06,1321 571.578,1322 28233,1323 1.7,1324 24.294,1325 0.715,1326 0.571,1327 23.674,1328 19.425,1329 16.259,1330 0.439,1331 0.333,1332 10.779,1333 14.769,1334 10.425,1335 8.622,1336 16.686,1337 12.304,1338 15.263,1339 0.288,1340 0.185,1341 15.964,1342 9.821,1343 12.449,1344 0.18,1345 0.106,1346 13.146,1347 7.29,1348 9.861,1349 0.112,1350 0.058,1351 10.589,1352 5.093,1353 7.63,1354 0.071,1355 0.033,1356 8.166,1357 3.593,1358 0.267,1359 110.862,1360 0.203,1361 31.72,1362 0.447,1363 180,1364 625.596,1365 237.107,1366 596.264,1367 790.89,1368 548,1369 212,1370 540.991,1371 275.007,1372 577.109,1373 839.4,1374 540,1375 7.409} {0 CHEMBL323798,1 1.678,2 18.558,3 6.882,4 47.363,5 203.891,6 8.182,7 0.483,8 4.603,9 4.709,10 4.28,11 4.191,12 5.714,13 4.159,14 5.15,15 5.312,16 4.675,17 4.594,18 6.214,19 4.542,20 5.401,21 5.59,22 4.83,23 4.765,24 6.449,25 4.701,26 5.466,27 5.636,28 4.926,29 4.83,30 6.589,31 4.764,32 5.49,33 5.651,34 4.901,35 4.883,36 6.571,37 4.809,38 5.609,39 5.796,40 4.97,41 4.98,42 6.639,43 4.869,44 5.671,45 5.893,46 4.826,47 4.948,48 6.644,49 4.812,50 5.634,51 5.887,52 4.673,53 4.801,54 6.595,55 4.67,56 0.114,57 1.322,58 16.381,59 8.313,60 14.639,61 10.195,62 0.492,63 2.193,64 34.979,65 14.173,66 42.815,67 17.783,68 0.637,69 2.743,70 51.934,71 18.518,72 66.201,73 22.736,74 0.813,75 2.936,76 56.976,77 19.326,78 93.984,79 22.753,80 0.771,81 2.981,82 57.631,83 21.116,84 81.505,85 24.312,86 0.912,87 3.29,88 67.721,89 24.627,90 86.087,91 30.425,92 0.956,93 3.416,94 74.46,95 26.535,96 97.957,97 34.813,98 0.951,99 3.175,100 74.126,101 24.535,102 106.241,103 32.929,104 46,105 82,106 0.246,107 0.579,108 0.79,109 0.88,110 0.901,111 0.901,112 3.973,113 0.961,114 -6.51,115 -6.34,116 -5.88,118 43.3,119 3,120 4,124 4,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 2,157 2,162 2,168 16,171 4,172 18,180 19,185 2,186 22,194 13,197 2,198 30,206 18,209 2,210 17,218 23,221 5,222 14,229 29,233 7,234 12,242 20,246 3,247 17,255 16,258 2,259 21,267 13,270 6706,271 35.681,272 35.681,273 35.681,274 35.681,275 35.681,276 31.706,277 36.937,278 21.231,279 36.638,280 28.624,281 28.624,282 28.624,283 28.624,284 28.624,285 22.426,286 45.85,287 10.023,288 30.11,289 4.813,290 2.534,291 1.092,292 0.478,293 0.336,294 0.336,295 4.688,297 1,301 2126,302 4.95,305 193.807,306 594.009,307 143.829,309 161.078,310 404.335,313 3.019,314 52.372,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 111.833,326 965,327 4.777,328 4,329 7.189,330 4.378,331 3.436,332 4.518,333 2.443,334 12.683,335 3.247,336 4.421,337 3.721,338 6.689,339 4.064,340 3.082,341 4.021,342 2.373,343 10.744,344 3.034,345 4.361,346 3.681,347 6.535,348 3.962,349 3.012,350 4,351 1.23,352 10.301,353 2.86,354 4.253,355 3.604,356 6.413,357 3.895,358 2.934,359 3.839,360 0.795,361 9.82,362 2.811,363 4.144,364 3.225,365 6.306,366 3.756,367 2.792,368 3.635,369 0.521,370 9.404,371 2.666,372 3.702,373 3.146,374 5.735,375 3.35,376 2.373,377 3.105,378 0.286,379 7.484,380 2.297,381 3.655,382 2.939,383 5.579,384 3.31,385 2.348,386 2.957,388 7.108,389 2.262,390 3.637,391 2.737,392 5.34,393 3.268,394 2.328,395 2.825,397 6.557,398 2.176,399 3.461,400 2.57,401 5.034,402 3.098,403 2.132,404 2.683,406 6.066,407 2.04,408 3.278,409 2.338,410 5.029,411 2.851,412 1.907,413 2.503,415 5.621,416 1.794,417 3.149,418 2.148,419 4.977,420 2.722,421 1.797,422 2.35,424 5.292,425 1.659,426 2.939,427 1.991,428 4.653,429 2.679,430 1.736,431 2.063,433 4.507,434 1.615,435 2.871,436 1.897,437 4.185,438 2.491,439 1.543,440 2.025,442 3.881,443 1.462,444 2.84,445 1.84,446 4.171,447 2.463,448 1.503,449 1.946,451 3.381,452 1.419,453 2.794,454 1.823,455 3.908,456 2.35,457 1.414,458 1.836,460 3.346,461 1.258,462 25.181,463 0.484,464 1.182,465 0.023,466 66,467 1.269,468 32,469 0.615,470 34,471 0.654,472 60.171,473 1.157,474 54.619,475 0.607,476 61.046,477 1.174,478 12.74,479 0.245,480 12.593,481 0.242,482 0.114,484 0.349,487 0.634,488 1.23,489 0.653,490 0.985,491 0.543,492 0.919,493 0.805,494 1.081,495 0.727,496 0.879,497 0.597,498 0.854,499 1.113,500 1.019,501 0.918,502 0.885,503 0.925,504 0.831,505 1.349,506 1.077,507 1.104,508 1.011,509 1.476,510 0.936,511 1.293,512 1.098,513 1.18,514 1.104,515 1.272,516 1.018,517 0.809,518 1.08,519 1.072,520 1.103,521 0.779,522 1.108,523 0.624,524 1.092,525 1.129,526 1.157,527 0.6,528 1.154,529 0.808,530 0.947,531 0.966,532 0.971,533 0.82,534 0.989,535 8,536 0.394,537 6,538 4.292,539 2.924,540 2.247,541 1.623,542 0.964,543 0.679,544 0.568,545 55558,546 154488,547 2.124,548 42.2,549 2,550 19,552 2,554 5,555 10,558 1.862,559 2,560 4.058,561 -0.746,567 151.063,568 1.678,569 3.958,570 5.4,571 6.014,572 6.156,573 6.156,574 3.572,575 5.378,576 5.666,577 4.315,578 5721.12,579 10.101,580 120278,585 584.267,586 1.37,587 5.637,588 0.138,589 0.005,590 0.073,591 0.046,592 0.03,593 0.023,594 0.017,595 0.011,596 0.009,597 0.008,598 0.36,599 0.17,600 0.38,601 1.456,602 317.378,603 0.075,604 -0.102,605 0.06,606 -0.028,607 0.015,608 -0.004,609 0.079,610 0.002,611 0.11,612 0.086,613 0.065,614 0.083,615 -0.104,616 0.045,617 0.064,618 0.119,619 -0.04,620 0.122,621 -0.171,622 0.013,623 -0.036,624 0.031,625 -0.154,626 -0.002,627 -0.185,628 -0.021,629 -0.148,630 -0.038,631 -0.166,632 -0.071,633 0.05,634 -0.046,635 -0.042,636 -0.064,637 -0.005,638 -0.122,639 0.125,640 -0.105,641 -0.08,642 -0.141,643 0.07,644 -0.135,645 0.048,646 0.007,647 0.037,648 -0.004,649 0.05,650 0.031,651 1.882,652 7.18,653 0.673,654 81.803,655 1.006,656 1.12,657 5.282,658 27.901,659 0.695,660 4.078,661 4.419,662 4.754,663 5.081,664 5.361,665 5.58,666 5.835,667 6.066,668 6.254,669 6.415,670 10.484,671 0.661,672 736.36,673 4.078,674 5.638,675 6.515,676 7.415,677 8.316,678 9.231,679 10.145,680 11.069,681 11.993,682 12.924,683 7.8,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,713 1,723 1,724 90,726 32,727 2,728 58,730 96,731 39,733 23,734 4,735 8,736 3,739 7,740 13,741 1,745 3,748 2,751 5,753 27,754 12,756 4,761 2,764 2,765 4,772 38,773 10,775 13,776 2,779 7,784 0.571,785 4,795 1,801 2,802 4,803 1,805 1,806 2,819 1,832 4,834 1,836 3,837 1,840 52,846 8,848 2,850 1,851 1,856 1,859 1,861 1,862 4.4,865 2,867 2,869 26,870 17.46,871 11.472,872 5.833,874 5.389,875 1.533,876 0.994,877 11.141,878 15.49,879 4.344,880 4.942,881 5.563,882 6.17,883 6.687,884 7.078,885 7.566,886 8.006,887 8.418,888 8.78,889 1,890 93,891 19.297,893 8.301,894 7.698,895 36.981,897 30.746,899 2.198,900 114.278,904 447.302,905 241.112,906 91.32,907 39.149,908 72.509,910 31.278,911 209.835,912 558.959,913 91.32,914 26.476,915 26.659,916 94.762,917 146.009,918 101.942,919 1.358,920 455.037,921 39.149,922 447.302,923 301.155,924 72.509,925 70.426,927 329.591,928 190.22,931 114.899,932 136.144,933 89.26,934 31.278,935 447.302,936 163.829,937 280.261,940 447.302,941 101.779,942 144.356,944 197.954,945 447.302,946 163.829,947 280.261,949 0.578,950 0.347,951 0.195,952 0.106,953 39,954 18,955 0.125,956 12,957 3,958 1.171,959 5.713,960 605.194,961 0.171,962 35,963 296.423,964 1,968 35.989,969 16.098,970 7.585,972 161.93,973 22.397,974 13.176,977 1.656,978 9.42,979 2.105,981 891.392,982 76,987 25.848,990 9.65,991 1.118,994 90.56,995 100.833,996 0.259,997 0.61,998 0.832,999 0.926,1000 0.948,1001 0.948,1002 5.598,1003 2.328,1004 6.503,1005 7.108,1006 5.106,1007 5.631,1008 3.296,1009 7.363,1010 5.011,1011 6.806,1012 2.132,1013 8.088,1014 6.557,1015 4.691,1016 5.407,1017 2.283,1018 8.368,1019 4.546,1020 8.121,1021 1.907,1022 9.78,1023 6.066,1024 6.735,1025 7.817,1026 4.744,1027 11.543,1028 6.556,1029 9.476,1030 1.797,1031 11.536,1032 5.621,1033 7.194,1034 8.471,1035 4.284,1036 13.423,1037 6.963,1038 10.867,1039 1.736,1040 13.336,1041 5.292,1042 8.683,1043 10.321,1044 6.404,1045 16.119,1046 8.42,1047 12.285,1048 1.543,1049 15.164,1050 4.507,1051 9.539,1052 11.386,1053 6.163,1054 18.352,1055 9.221,1056 13.724,1057 1.503,1058 17.014,1059 3.881,1060 10.821,1061 13.009,1062 8.123,1063 20.9,1064 10.468,1065 3.436,1066 1.414,1067 18.88,1068 3.381,1069 11.859,1070 14.274,1071 7.994,1072 23.285,1073 11.449,1074 3.082,1075 12.683,1076 20.758,1077 3.346,1078 13.068,1079 15.801,1080 9.86,1081 25.792,1082 12.617,1083 3.012,1084 10.744,1085 22.646,1086 4.518,1087 14.188,1088 17.167,1089 9.802,1090 28.245,1091 13.681,1092 2.934,1093 10.301,1094 24.543,1095 4.021,1096 15.377,1097 18.656,1098 11.606,1099 30.748,1100 14.823,1101 2.792,1102 9.82,1103 26.447,1104 4,1105 16.537,1106 20.074,1107 11.6,1108 33.236,1109 15.927,1110 2.373,1111 9.404,1112 28.357,1113 3.839,1114 17.725,1115 21.551,1116 13.355,1117 35.745,1118 17.064,1119 2.348,1120 7.484,1121 30.272,1122 3.635,1123 18.906,1124 22.998,1125 13.391,1126 38.252,1127 18.189,1128 51866,1129 86682,1130 39.183,1131 62.546,1132 88.74,1133 91.895,1134 90.905,1135 87.609,1136 87.354,1137 113,1138 15.297,1139 255.624,1140 83.043,1141 5.725,1142 6,1143 7.017,1144 5.545,1145 5.436,1146 7.518,1147 4.816,1148 20.398,1149 5.247,1150 25.899,1151 1.53,1152 1.584,1153 1.567,1154 1.51,1155 1.506,1156 1.948,1157 0.264,1158 4.407,1159 1.432,1160 4.136,1161 4.167,1162 4.33,1163 4.087,1164 7.433,1165 4.058,1166 3.985,1167 4.014,1168 3.999,1169 3.915,1170 7.427,1171 3.915,1172 3.873,1173 3.9,1174 3.951,1175 3.828,1176 5.102,1177 3.81,1178 3.841,1179 3.889,1180 3.821,1181 3.719,1182 5.003,1183 3.726,1184 3.773,1185 3.812,1186 3.752,1187 3.632,1188 4.939,1189 3.65,1190 3.746,1191 3.788,1192 3.629,1193 3.578,1194 4.797,1195 3.577,1196 3.527,1197 3.579,1198 3.471,1199 3.298,1200 4.64,1201 3.307,1202 3.453,1203 3.523,1204 3.385,1205 3.274,1206 4.609,1207 3.282,1208 0.082,1209 0.069,1210 0.124,1211 0.075,1212 0.059,1213 4.777,1214 0.078,1215 4,1216 0.042,1217 7.189,1218 0.219,1219 4.378,1220 0.056,1221 3.436,1222 4.518,1223 2.443,1224 12.683,1225 3.247,1226 1.961,1227 1.939,1228 2.047,1229 2.058,1230 1.293,1231 2.055,1232 1.92,1233 1.901,1234 2.001,1235 1.996,1236 1.279,1237 2.003,1238 1.812,1239 1.777,1240 1.953,1241 1.946,1242 1.139,1243 1.948,1244 1.751,1245 1.716,1246 1.932,1247 1.906,1248 1.1,1249 1.918,1250 1.711,1251 1.662,1252 1.887,1253 1.864,1254 1.039,1255 1.876,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.941,1261 1.846,1262 1.544,1263 1.498,1264 1.8,1265 1.741,1266 0.937,1267 1.758,1268 1.483,1269 1.42,1270 1.722,1271 1.726,1272 0.862,1273 1.732,1274 4.762,1276 6.098,1277 3.045,1278 7.628,1279 5.533,1280 9.251,1281 7.751,1282 10.928,1284 5.774,1285 6.766,1290 3.978,1292 10.719,1294 -0.224,1295 1.896,1300 59.452,1301 151.063,1302 356.207,1303 486.028,1304 541.247,1305 554.002,1306 554.002,1307 106.707,1308 10.102,1309 124.16,1310 152.4,1311 41,1312 13.427,1313 5.044,1314 4.248,1315 77.519,1316 329,1317 436,1318 0.113,1319 366.361,1320 643.24,1321 885.681,1322 455617,1323 1.1,1324 36.191,1325 0.696,1326 0.592,1327 37.045,1328 30.785,1329 25.334,1330 0.437,1331 0.32,1332 17.274,1333 23.671,1334 16.735,1335 13.803,1336 26.031,1337 18.586,1338 22.565,1339 0.275,1340 0.172,1341 23.552,1342 14.084,1343 19.713,1344 0.171,1345 0.092,1346 20.866,1347 10.618,1348 17.12,1349 0.107,1350 0.051,1351 18.52,1352 8.219,1353 14.096,1354 0.066,1355 0.028,1356 15.458,1357 6.003,1358 0.182,1359 165.669,1360 0.16,1361 44.289,1362 0.302,1363 280,1364 829.522,1365 346.869,1366 847.175,1367 1163.45,1368 796,1369 337,1370 836.619,1371 400.523,1372 863.372,1373 1274.92,1374 816,1375 7.187} {0 CHEMBL324059,1 1.555,2 11.172,3 3.649,4 13.312,5 114.333,6 7.095,7 0.4,8 4.128,9 4.241,10 3.776,11 3.69,12 5.162,13 3.618,14 4.691,15 4.87,16 4.021,17 4.077,18 5.927,19 3.979,20 4.985,21 5.182,22 4.012,23 4.262,24 5.984,25 4.101,26 5.164,27 5.446,28 3.987,29 4.238,30 6.098,31 4.062,32 4.978,33 5.186,34 3.918,35 4.133,36 6.132,37 4.02,38 4.948,39 5.194,40 3.935,41 4.152,42 5.898,43 4.006,44 4.987,45 5.241,46 3.961,47 4.14,48 5.95,49 3.993,50 4.977,51 5.227,52 3.921,53 4.086,54 6.004,55 3.946,56 0.093,57 0.827,58 16.436,59 6.231,60 20.628,61 7.942,62 0.424,63 1.312,64 27.595,65 10.512,66 85.507,67 13.725,68 0.307,69 1.662,70 37.01,71 13.995,72 77.666,73 18.052,74 0.474,75 1.797,76 52.317,77 16.467,78 96.414,79 21.458,80 0.577,81 1.528,82 35.558,83 11.573,84 116.441,85 15.425,86 0.237,87 1.533,88 35.43,89 13.083,90 55.425,91 17.695,92 0.266,93 1.56,94 36.171,95 12.957,96 60.757,97 17.757,98 0.422,99 1.513,100 40.157,101 12.724,102 85.075,103 16.673,104 65,105 42,106 0.255,107 0.561,108 0.749,109 0.813,110 0.826,111 0.832,112 3.407,113 1.137,114 -3.43,115 -3.41,116 -3.26,118 37.3,119 3,120 4,122 1,124 2,140 5,141 4,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 19,181 1,186 5,191 3,194 15,195 1,198 10,203 6,206 13,207 2,210 6,215 4,218 11,219 2,222 8,227 5,229 10,230 3,234 10,239 5,242 9,243 1,247 8,252 2,253 1,255 9,256 1,259 5,260 1,262 2,263 1,264 2,267 9,268 1,270 1579,271 18.256,272 18.256,273 18.256,274 18.256,275 18.256,276 16.264,277 18.169,278 10.927,279 18.454,280 14.899,281 14.899,282 14.899,283 14.899,284 14.899,285 11.78,286 20.318,287 5.321,288 15.232,289 4.327,290 2.458,291 1.308,292 0.916,293 0.835,294 0.801,295 4.068,299 1,300 1,301 652,302 4.899,306 219.964,313 1.753,314 37.438,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63,326 324,327 4.723,328 4.498,329 6.894,330 4.29,331 3.344,332 4.487,333 2.341,334 11.595,335 3.167,336 4.222,337 3.6,338 6.168,339 3.861,340 2.865,341 3.858,342 0.68,343 9.233,344 2.856,345 3.984,346 3.083,347 5.833,348 3.822,349 2.838,350 3.435,352 8.482,353 2.759,354 3.888,355 2.939,356 5.407,357 3.507,358 2.514,359 3.014,361 7.187,362 2.495,363 3.568,364 2.749,365 5.037,366 3.264,367 2.261,368 2.757,370 6.106,371 2.25,372 3.35,373 2.399,374 4.859,375 3.026,376 2.029,377 2.601,379 5.593,380 2.017,381 3.297,382 2.153,383 4.586,384 2.921,385 1.925,386 2.535,388 4.973,389 1.911,390 2.849,391 1.527,392 3.726,393 2.369,394 1.402,395 2,397 3.026,398 1.354,399 2.5,400 1.457,401 3.587,402 2.095,403 1.139,404 1.5,406 2.555,407 1.084,408 2.264,409 1.059,410 3.247,411 1.956,412 1,413 1.235,415 2.136,416 0.953,417 1.779,418 1,419 3.216,420 1.56,421 0.556,422 0.637,424 1.252,425 0.552,426 1.295,427 0.712,428 3,429 0.991,435 1.135,436 0.419,437 2.869,438 0.927,439 -0.035,440 -0.038,442 -0.095,443 -0.033,444 1,445 0.25,446 2.799,447 0.575,448 -0.353,449 -0.404,451 -1.207,452 -0.319,453 0.86,454 0.094,455 2.2,456 0.435,457 -0.568,458 -0.699,460 -1.549,461 -0.562,462 13.967,463 0.482,464 1.063,465 0.037,466 33.25,467 1.147,468 16.5,469 0.569,470 16.75,471 0.578,472 29.478,473 1.016,474 33.433,475 0.567,476 25.627,477 0.884,478 6.015,479 0.207,480 7.508,481 0.259,482 0.203,483 0.095,484 0.179,487 0.593,488 1.34,489 0.915,490 1.295,491 0.699,492 1.092,493 0.457,494 1.074,495 0.978,496 1.089,497 0.42,498 1.012,499 1.003,500 1.257,501 1.234,502 1.259,503 1.045,504 1.328,505 0.808,506 0.914,507 1.145,508 1.055,509 0.756,510 0.814,511 1.671,512 0.942,513 1.111,514 0.862,515 1.693,516 1.063,517 0.664,518 1.057,519 0.852,520 1.007,521 0.605,522 0.992,523 0.753,524 1.031,525 0.769,526 0.933,527 0.743,528 0.967,529 1.122,530 0.967,531 1.095,532 1,533 1.046,534 0.904,535 9.5,536 0.31,537 1.778,538 2.375,539 1.084,540 0.806,541 0.629,542 0.575,543 0.361,544 0.386,545 10046,546 28905,547 1.903,548 50.8,549 13,550 9,552 2,553 2,554 2,555 2,558 1.723,559 1.74,560 3.441,561 0.228,563 1,567 91.762,568 1.555,569 3.425,570 4.575,571 4.967,572 5.047,573 5.081,574 2.879,575 4.349,576 4.827,577 3.677,578 1492.96,579 8.43,580 21445.8,582 1,584 1,585 347.076,586 1.69,587 4.744,588 0.317,589 0.01,590 0.042,591 0.066,592 0.028,593 0.023,594 0.017,595 0.016,596 0.01,597 0.013,598 0.542,599 0.33,600 0.88,601 1.963,602 149.229,603 0.058,604 -0.065,605 0.185,606 -0.026,607 -0.113,608 0.029,609 0.3,610 0.072,611 0.033,612 0.021,613 0.301,614 0.04,615 -0.155,616 -0.183,617 -0.244,618 -0.188,619 -0.18,620 -0.298,621 0.009,622 0.039,623 0.056,624 0.049,625 0.057,626 0.194,627 -0.331,628 0.073,629 -0.231,630 0.025,631 -0.265,632 -0.129,633 0.019,634 -0.067,635 0.057,636 -0.016,637 0.044,638 0.027,639 0.012,640 -0.058,641 0.106,642 0.004,643 -0.004,644 0.026,645 -0.092,646 0.022,647 -0.005,648 0.025,649 -0.064,650 0.074,651 4.252,652 5.206,653 0.414,654 31.95,655 0.999,656 1.128,657 2.197,658 4.828,659 0.646,660 3.434,661 3.761,662 3.761,663 4.025,664 4.094,665 4.143,666 4.248,667 4.394,668 4.431,669 4.489,670 7.154,671 0.601,672 418.61,673 3.434,674 4.977,675 5.746,676 6.624,677 7.409,678 8.291,679 9.085,680 9.969,681 10.767,682 11.652,683 3.4,685 1,693 1,699 7,700 1,704 4,706 12,724 59,726 15,727 1,728 30,730 60,731 22,733 11,734 3,735 3,739 2,740 2,745 3,746 1,751 4,753 12,754 10,756 3,760 1,761 3,765 1,769 1,772 30,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 3,840 29,844 1,845 1,846 6,847 1,852 1,862 6.8,864 1,865 3,869 16.667,870 11.15,871 6.208,872 3.419,874 2.252,875 1.328,876 0.911,877 8.095,878 9.127,879 3.689,880 4.263,881 4.505,882 5.034,883 5.439,884 5.553,885 5.858,886 6.253,887 6.554,888 6.813,889 1,890 36,891 10.959,893 4.729,894 7.983,895 20.534,897 16.75,899 2.483,900 72,902 1,903 1,904 329.591,905 124.555,906 33.191,908 112.141,910 5.807,911 118.747,912 441.732,913 33.191,914 26.476,915 13.144,916 69.594,917 153.379,918 30.837,920 306.049,922 329.591,923 151.938,924 112.141,925 5.807,927 306.049,928 135.683,931 74.119,932 61.033,933 22.593,935 329.591,936 145.332,937 124.555,939 5.807,940 329.591,941 26.796,942 91.952,943 16.405,944 128.927,945 329.591,946 145.332,947 124.555,949 0.584,950 0.27,951 0.146,952 0.074,953 17,954 9,955 0.183,956 11,958 1,959 3.972,960 230.033,962 12,963 134.127,967 1,968 23.216,969 10.111,970 9.316,972 145.332,973 13.449,974 4.137,978 4.069,980 59.088,981 599.477,982 39,986 -3.336,987 35.356,991 -0.834,994 58.96,995 66.567,996 0.264,997 0.582,998 0.778,999 0.844,1000 0.858,1001 0.864,1002 4.934,1003 1.402,1004 5.802,1005 4.973,1006 4.443,1007 4.949,1008 2.35,1009 6.597,1010 4.399,1011 6.179,1012 1.139,1013 7.357,1014 3.026,1015 4.369,1016 5.094,1017 2.243,1018 7.84,1019 4.295,1020 7.524,1021 1,1022 9.022,1023 2.555,1024 6.125,1025 7.179,1026 3.64,1027 10.687,1028 6.024,1029 8.902,1030 0.556,1031 10.752,1032 2.136,1033 6.746,1034 8.032,1035 4.112,1036 12.658,1037 6.598,1038 10.307,1040 12.524,1041 1.252,1042 8.107,1043 9.738,1044 5.203,1045 15.18,1046 7.929,1047 11.732,1048 -0.035,1049 14.325,1051 9.026,1052 10.908,1053 5.889,1054 17.428,1055 8.789,1056 13.175,1057 -0.353,1058 16.147,1059 -0.095,1060 10.252,1061 12.478,1062 6.849,1063 19.871,1064 9.978,1065 3.344,1066 -0.568,1067 17.985,1068 -1.207,1069 11.308,1070 13.804,1071 7.625,1072 22.23,1073 10.971,1074 2.865,1075 11.595,1076 19.837,1077 -1.549,1078 12.491,1079 15.322,1080 8.526,1081 24.66,1082 12.108,1083 2.838,1084 9.233,1085 21.7,1086 4.487,1087 13.613,1088 16.728,1089 9.342,1090 27.065,1091 13.166,1092 2.514,1093 8.482,1094 23.572,1095 3.858,1096 14.787,1097 18.225,1098 10.216,1099 29.498,1100 14.287,1101 2.261,1102 7.187,1103 25.452,1104 3.435,1105 15.941,1106 19.672,1107 11.051,1108 31.925,1109 15.378,1110 2.029,1111 6.106,1112 27.338,1113 3.014,1114 17.118,1115 21.163,1116 11.912,1117 34.363,1118 16.497,1119 1.925,1120 5.593,1121 29.231,1122 2.757,1123 18.29,1124 22.632,1125 12.755,1126 36.8,1127 17.607,1128 10290,1129 17583,1130 18.663,1131 38.137,1132 44.25,1133 46.514,1134 44.058,1135 43.805,1136 43.748,1137 56.117,1138 6.042,1139 124.272,1140 42.8,1141 5.65,1142 6.498,1143 6.695,1144 5.326,1145 5.344,1146 7.487,1147 3.925,1148 18.575,1149 5.167,1150 19.1,1151 1.475,1152 1.55,1153 1.469,1154 1.46,1155 1.458,1156 1.871,1157 0.201,1158 4.142,1159 1.427,1160 4.054,1161 4.066,1162 4.723,1163 4.009,1164 7.716,1165 3.963,1166 3.97,1167 3.968,1168 3.945,1169 3.93,1170 7.474,1171 3.848,1172 3.826,1173 3.866,1174 3.759,1175 3.734,1176 6.999,1177 3.734,1178 3.631,1179 3.68,1180 3.519,1181 3.493,1182 6.351,1183 3.462,1184 3.571,1185 3.595,1186 3.49,1187 3.407,1188 4.904,1189 3.398,1190 3.349,1191 3.391,1192 3.238,1193 3.22,1194 4.685,1195 3.193,1196 3.154,1197 3.196,1198 3.039,1199 2.986,1200 4.309,1201 2.99,1202 2.93,1203 3.009,1204 2.777,1205 2.723,1206 4.079,1207 2.727,1208 0.157,1209 0.15,1210 0.23,1211 0.143,1212 0.111,1213 4.723,1214 0.15,1215 4.498,1216 0.078,1217 6.894,1218 0.387,1219 4.29,1220 0.106,1221 3.344,1222 4.487,1223 2.341,1224 11.595,1225 3.167,1226 1.995,1227 1.97,1228 2.106,1229 2.074,1230 1.361,1231 2.094,1232 1.873,1233 1.872,1234 2.009,1235 1.994,1236 1.325,1237 2.042,1238 1.811,1239 1.775,1240 1.944,1241 1.932,1242 1.096,1243 1.939,1244 1.589,1245 1.543,1246 1.8,1247 1.788,1248 1.094,1249 1.812,1250 1.497,1251 1.472,1252 1.656,1253 1.697,1254 0.843,1255 1.71,1256 1.312,1257 1.278,1258 1.417,1259 1.482,1260 0.736,1261 1.53,1262 1.117,1263 1.073,1264 1.417,1265 1.333,1266 0.534,1267 1.34,1268 0.934,1269 0.827,1270 1.397,1271 1.239,1272 0.469,1273 1.308,1274 4.111,1276 5.434,1278 6.905,1280 8.447,1282 10.03,1284 5.675,1289 8.987,1290 2.132,1291 2.671,1296 -0.306,1300 35.464,1301 91.762,1302 202.066,1303 269.917,1304 293.037,1305 297.792,1306 299.792,1307 98.152,1308 6.875,1309 96.36,1310 104.74,1311 12,1312 12.203,1313 4,1314 3.322,1315 65.252,1316 121,1317 109,1318 0.254,1319 227.228,1320 399.83,1321 546.196,1322 8138,1324 21.493,1325 0.741,1326 0.625,1327 21.743,1328 18.128,1329 13.523,1330 0.451,1331 0.379,1332 9.773,1333 12.366,1334 9.205,1335 7.757,1336 14.376,1337 11.373,1338 13.81,1339 0.329,1340 0.247,1341 15.105,1342 10.36,1343 8.018,1344 0.191,1345 0.146,1346 8.95,1347 6.12,1348 7.223,1349 0.131,1350 0.088,1351 8.276,1352 4.847,1353 4.866,1354 0.082,1355 0.044,1356 5.241,1357 2.577,1358 0.401,1359 92.753,1360 0.231,1361 27.834,1362 0.687,1363 144,1364 428.195,1365 189.051,1366 435.802,1367 562.36,1368 396,1369 156,1370 360.634,1371 208.385,1372 404.603,1373 566.4,1374 372,1375 7.409} {0 CHEMBL324118,1 1.596,2 20.386,3 3.526,4 12.431,5 171.698,6 7.344,7 0.375,8 4.513,9 4.634,10 4.096,11 4.044,12 5.562,13 4.004,14 5.081,15 5.263,16 4.418,17 4.434,18 6.068,19 4.361,20 5.337,21 5.559,22 4.46,23 4.568,24 6.281,25 4.464,26 5.386,27 5.614,28 4.482,29 4.545,30 6.381,31 4.447,32 5.371,33 5.596,34 4.422,35 4.56,36 6.333,37 4.453,38 5.39,39 5.63,40 4.347,41 4.587,42 6.286,43 4.44,44 5.362,45 5.628,46 4.238,47 4.503,48 6.229,49 4.349,50 5.226,51 5.474,52 4.2,53 4.421,54 6.089,55 4.295,56 0.063,57 1.245,58 18.564,59 8.017,60 14.033,61 10.52,62 0.46,63 2.035,64 39.057,65 13.15,66 43.09,67 17.662,68 0.568,69 2.416,70 50.597,71 17.347,72 62.266,73 23.426,74 0.694,75 2.452,76 55.988,77 17.375,78 92.062,79 23.62,80 0.737,81 2.402,82 52.493,83 17.449,84 88.546,85 23.558,86 0.685,87 2.485,88 55.899,89 19.424,90 76.769,91 26.436,92 0.661,93 2.361,94 54.528,95 18.329,96 79.155,97 25.984,98 0.378,99 2.087,100 43.157,101 15.763,102 49.553,103 22.447,104 19,105 63,106 0.24,107 0.562,108 0.779,109 0.858,110 0.875,111 0.878,112 3.809,113 1.018,114 -3.63,115 -3.6,116 -3.43,118 39.3,119 1,120 3,124 8,126 1,127 1,140 8,141 4,143 4,153 1,154 2,162 1,168 12,171 2,172 11,177 2,180 11,185 1,186 13,189 2,191 1,194 7,197 1,198 17,201 1,203 1,206 7,209 2,210 11,218 8,221 2,222 7,225 1,229 9,233 5,234 9,242 9,246 1,247 7,252 1,255 7,258 1,259 10,264 2,267 5,270 4914,271 30.474,272 30.474,273 30.474,274 30.474,275 30.474,276 27.854,277 29.867,278 18.733,279 31.34,280 23.712,281 23.712,282 23.712,283 23.712,284 23.712,285 19.777,286 31.576,287 8.894,288 24.946,289 4.796,290 2.66,291 1.217,292 0.694,293 0.58,294 0.557,295 4.515,300 1,301 1933,302 4.69,305 156.443,306 725.895,313 3.222,314 40.134,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 95,326 897,327 4.38,328 4.549,329 6.5,330 4.005,331 3.048,332 3.969,333 3.528,334 10.18,335 2.974,336 4.187,337 3.999,338 6.434,339 3.994,340 3.016,341 3.562,342 2.443,343 9.879,344 2.894,345 4.01,346 3.802,347 6.114,348 3.734,349 2.79,350 3.477,351 2.373,352 8.917,353 2.636,354 3.931,355 3.681,356 5.599,357 3.596,358 2.624,359 3.265,360 1.985,361 7.721,362 2.554,363 3.655,364 3.038,365 5.302,366 3.35,367 2.373,368 2.943,369 0.916,370 6.648,371 2.297,372 3.597,373 2.986,374 5.19,375 3.304,376 2.339,377 2.825,378 0.635,379 6.243,380 2.245,381 3.412,382 2.913,383 5.029,384 3.093,385 2.133,386 2.517,387 0.478,388 6.066,389 2.05,390 3.234,391 2.527,392 4.934,393 2.913,394 1.976,395 2.37,396 0.286,397 5.67,398 1.831,399 3.031,400 2.249,401 4.407,402 2.72,403 1.773,404 2.181,405 0.172,406 4.26,407 1.67,408 2.876,409 2.16,410 4.153,411 2.599,412 1.664,413 1.942,414 0.048,415 3.884,416 1.548,417 2.794,418 2.073,419 3.75,420 2.471,421 1.503,422 1.834,424 3.33,425 1.451,426 2.553,427 1.926,428 3.666,429 2.214,430 1.267,431 1.513,433 2.771,434 1.193,435 2.5,436 1.829,437 3.487,438 2.114,439 1.176,440 1.5,442 2.689,443 1.084,444 2.5,445 1.745,446 3.414,447 2,448 1.017,449 1.5,451 2.275,452 1,453 2.5,454 1.521,455 3.414,456 1.967,457 1,458 1.5,460 2.275,461 0.965,462 21.067,463 0.479,464 0.742,465 0.017,466 51.25,467 1.165,468 22.5,469 0.511,470 28.75,471 0.653,472 45.735,473 1.039,474 48.533,475 0.578,476 42.36,477 0.963,478 9.839,479 0.224,480 11.763,481 0.267,482 0.055,484 0.252,487 0.709,488 1.395,489 0.785,490 1.12,491 0.544,492 1.034,493 0.993,494 1.182,495 1.107,496 1.093,497 0.644,498 1.014,499 1.083,500 1.036,501 1.015,502 1.002,503 0.962,504 1.008,505 1.308,506 1.042,507 1.038,508 1.018,509 1.541,510 0.98,511 1.331,512 0.96,513 1.028,514 0.904,515 1.342,516 0.975,517 0.773,518 1.055,519 1.122,520 1.124,521 0.677,522 1.1,523 0.648,524 0.941,525 0.969,526 1.01,527 0.73,528 0.998,529 0.733,530 1.044,531 0.794,532 0.952,533 0.643,534 1.008,535 6.5,536 0.225,537 4.222,538 2.25,539 1.522,540 0.945,541 0.856,542 0.53,543 0.327,544 0.311,545 41737,546 109179,547 2.111,548 47.6,549 2,550 25,551 1,552 4,553 1,554 2,555 5,558 1.818,559 2.031,560 4.251,561 -0.377,567 134.103,568 1.596,569 3.733,570 5.175,571 5.699,572 5.812,573 5.836,574 3.766,575 4.817,576 5.424,577 4.469,578 4227.9,579 9.585,580 87651.2,585 536.955,586 1.141,587 5.415,588 0.135,589 0.004,590 0.067,591 0.035,592 0.025,593 0.015,594 0.015,595 0.01,596 0.006,597 0.006,598 0.32,599 0.33,600 0.5,601 1.505,602 264.26,603 0.056,604 -0.18,605 0.079,606 -0.047,607 0.034,608 -0.014,609 -0.015,610 -0.032,611 -0.062,612 -0.029,613 0.029,614 -0.03,615 -0.065,616 -0.002,617 -0.035,618 -0.008,619 -0.036,620 -0.027,621 -0.107,622 -0.037,623 -0.004,624 -0.027,625 -0.125,626 -0.014,627 -0.143,628 0.037,629 -0.064,630 0.057,631 -0.145,632 -0.009,633 0.058,634 -0.057,635 -0.097,636 -0.085,637 0.03,638 -0.088,639 0.102,640 0.022,641 0.007,642 -0.022,643 0.065,644 0.01,645 0.022,646 -0.081,647 0.042,648 -0.022,649 0.023,650 -0.004,651 1.849,652 6.21,653 0.659,654 77.849,655 1,656 1.129,657 2.402,658 5.768,659 0.66,660 3.892,661 4.159,662 4.407,663 4.625,664 4.812,665 4.86,666 5.011,667 5.118,668 5.198,669 5.308,670 11.445,671 0.621,672 616.86,673 3.892,674 5.407,675 6.236,676 7.084,677 7.93,678 8.786,679 9.64,680 10.501,681 11.36,682 12.224,683 7.1,685 1,686 1,690 1,692 1,693 2,699 12,700 2,704 4,706 18,709 1,724 84,726 21,727 1,728 48,730 88,731 33,733 16,734 2,735 4,736 1,739 5,740 5,745 1,748 1,751 4,753 19,754 14,756 3,761 2,764 1,765 3,772 40,773 10,774 1,775 11,776 1,779 6,784 1,785 4,795 2,801 1,802 4,817 1,819 1,826 1,828 1,832 5,833 1,834 1,836 1,840 44,846 11,847 1,848 2,849 1,850 2,851 2,862 4.8,865 2,867 2,869 21.667,870 15,871 9.972,872 5.289,874 2.886,875 1.334,876 0.954,877 12.185,878 11.531,879 4.111,880 4.58,881 5.055,882 5.508,883 5.968,884 6.055,885 6.414,886 6.685,887 6.901,888 7.126,889 0.929,890 64,891 16.34,893 6.822,894 7.663,895 31.67,897 25.84,899 2.163,900 95.167,904 459.073,905 208.656,906 77.23,908 72.509,910 32.22,911 176.436,912 531.581,913 77.23,914 8.825,915 31.341,916 93.821,917 145.598,918 93.675,919 11.771,920 432.437,922 459.073,923 253.667,924 72.509,925 32.22,927 400.217,928 131.364,931 116.891,932 103.205,933 33.571,934 32.22,935 459.073,936 149.739,937 208.656,940 459.073,941 87.831,942 127.073,943 18.011,944 125.479,945 459.073,946 149.739,947 208.656,949 0.562,950 0.324,951 0.174,952 0.091,953 26,954 11,955 0.159,956 14,958 1,959 5.591,960 420.403,962 29,963 232.215,964 1,968 32.118,969 16.693,970 9.359,972 149.739,973 23.329,974 8.46,978 4.12,980 18.011,981 817.468,982 60,987 24.738,990 4.445,991 0.723,994 84.018,995 94.806,996 0.25,997 0.584,998 0.81,999 0.891,1000 0.909,1001 0.913,1002 5.33,1003 1.976,1004 6.176,1005 6.066,1006 4.844,1007 5.268,1008 4.02,1009 6.923,1010 4.753,1011 6.467,1012 1.773,1013 7.689,1014 5.67,1015 4.205,1016 4.745,1017 2.94,1018 7.7,1019 4.104,1020 7.725,1021 1.664,1022 9.306,1023 4.26,1024 6.368,1025 7.258,1026 6.038,1027 10.798,1028 6.202,1029 9.014,1030 1.503,1031 10.989,1032 3.884,1033 6.621,1034 7.586,1035 5.27,1036 12.462,1037 6.441,1038 10.34,1039 1.267,1040 12.715,1041 3.33,1042 8.172,1043 9.542,1044 8.323,1045 15.041,1046 7.94,1047 11.69,1048 1.176,1049 14.471,1050 2.771,1051 8.848,1052 10.279,1053 7.714,1054 17.06,1055 8.595,1056 13.058,1057 1.017,1058 16.249,1059 2.689,1060 10.137,1061 11.979,1062 10.716,1063 19.461,1064 9.841,1065 3.048,1066 1,1067 18.042,1068 2.275,1069 11.024,1070 12.947,1071 10.275,1072 21.634,1073 10.702,1074 3.016,1075 10.18,1076 19.848,1077 2.275,1078 12.197,1079 14.507,1080 13.161,1081 23.97,1082 11.838,1083 2.79,1084 9.879,1085 21.663,1086 3.969,1087 13.189,1088 15.617,1089 12.886,1090 26.211,1091 12.802,1092 2.624,1093 8.917,1094 23.486,1095 3.562,1096 14.313,1097 17.095,1098 15.63,1099 28.523,1100 13.892,1101 2.373,1102 7.721,1103 25.315,1104 3.477,1105 15.358,1106 18.296,1107 15.508,1108 30.795,1109 14.907,1110 2.339,1111 6.648,1112 27.15,1113 3.265,1114 16.463,1115 19.725,1116 18.112,1117 33.1,1118 15.98,1119 2.133,1120 6.243,1121 28.988,1122 2.943,1123 17.534,1124 20.985,1125 18.124,1126 35.387,1127 17.021,1128 39373,1129 63812,1130 32.879,1131 55.444,1132 70.598,1133 75.823,1134 71.597,1135 69.868,1136 69.878,1137 85.957,1138 25.731,1139 188.585,1140 66.593,1141 5.38,1142 6.549,1143 6.328,1144 5.108,1145 5.048,1146 6.969,1147 6.918,1148 17.041,1149 4.974,1150 17.201,1151 1.471,1152 1.58,1153 1.492,1154 1.456,1155 1.456,1156 1.791,1157 0.536,1158 3.929,1159 1.387,1160 4.021,1161 4.06,1162 4.059,1163 3.937,1164 7.433,1165 3.936,1166 3.927,1167 3.963,1168 3.944,1169 3.845,1170 7.426,1171 3.828,1172 3.848,1173 3.901,1174 3.774,1175 3.726,1176 5.01,1177 3.731,1178 3.78,1179 3.823,1180 3.715,1181 3.635,1182 4.897,1183 3.645,1184 3.746,1185 3.788,1186 3.645,1187 3.578,1188 4.799,1189 3.577,1190 3.627,1191 3.682,1192 3.627,1193 3.501,1194 4.66,1195 3.475,1196 3.525,1197 3.578,1198 3.393,1199 3.293,1200 4.468,1201 3.299,1202 3.347,1203 3.404,1204 3.284,1205 3.162,1206 4.341,1207 3.168,1208 0.091,1209 0.095,1210 0.135,1211 0.083,1212 0.064,1213 4.38,1214 0.083,1215 4.549,1216 0.074,1217 6.5,1218 0.212,1219 4.005,1220 0.062,1221 3.048,1222 3.969,1223 3.528,1224 10.18,1225 2.974,1226 1.964,1227 1.937,1228 2.069,1229 2.071,1230 1.322,1231 2.072,1232 1.845,1233 1.81,1234 1.971,1235 2.003,1236 1.279,1237 1.996,1238 1.817,1239 1.773,1240 1.951,1241 1.964,1242 1.159,1243 1.966,1244 1.746,1245 1.692,1246 1.946,1247 1.907,1248 1.076,1249 1.919,1250 1.711,1251 1.662,1252 1.896,1253 1.892,1254 1.038,1255 1.897,1256 1.506,1257 1.455,1258 1.8,1259 1.742,1260 0.957,1261 1.758,1262 1.483,1263 1.42,1264 1.689,1265 1.713,1266 0.94,1267 1.713,1268 1.283,1269 1.231,1270 1.541,1271 1.543,1272 0.825,1273 1.54,1274 4.575,1276 5.855,1277 2.398,1278 7.326,1279 4.595,1280 8.88,1281 6.605,1282 10.479,1284 1.807,1290 7.325,1291 3.49,1292 10.623,1293 1.765,1294 -0.048,1295 4.389,1300 52.13,1301 134.103,1302 313.553,1303 434.69,1304 478.69,1305 488.2,1306 490.2,1307 93.043,1308 8.645,1309 109.25,1310 134.55,1311 29,1312 12.773,1313 4.459,1314 3.7,1315 74.474,1316 304,1317 330,1318 0.115,1319 323.104,1320 572.95,1321 780.133,1322 89180,1324 30.564,1325 0.695,1326 0.59,1327 30.918,1328 25.955,1329 21.602,1330 0.45,1331 0.339,1332 15.115,1333 20.251,1334 14.716,1335 12.129,1336 22.056,1337 16.293,1338 18.335,1339 0.291,1340 0.189,1341 18.886,1342 11.932,1343 15.394,1344 0.19,1345 0.11,1346 16.098,1347 8.915,1348 12.504,1349 0.124,1350 0.064,1351 13.31,1352 6.481,1353 9.722,1354 0.08,1355 0.035,1356 10.34,1357 4.325,1358 0.191,1359 140.264,1360 0.174,1361 40.173,1362 0.29,1363 222,1364 654.361,1365 266.845,1366 640.623,1367 864.51,1368 604,1369 255,1370 605.491,1371 298.083,1372 616.283,1373 896.19,1374 580,1375 7.143} {0 CHEMBL324130,1 1.664,2 11.323,3 4.087,4 16.7,5 121.002,6 8.761,7 0.529,8 4.061,9 4.131,10 3.923,11 3.727,12 5.184,13 3.668,14 4.586,15 4.687,16 4.227,17 4.127,18 5.962,19 4.042,20 4.86,21 5.002,22 4.382,23 4.314,24 6.019,25 4.209,26 4.973,27 5.126,28 4.398,29 4.325,30 6.153,31 4.197,32 4.947,33 5.127,34 4.253,35 4.267,36 6.048,37 4.138,38 4.876,39 5.068,40 4.131,41 4.17,42 5.946,43 4.03,44 4.867,45 5.079,46 4.086,47 4.098,48 5.938,49 3.955,50 4.774,51 4.974,52 4.08,53 3.955,54 6.01,55 3.842,56 0.127,57 0.69,58 11.204,59 5.483,60 22.965,61 5.621,62 0.468,63 1.153,64 21.44,65 9.758,66 74.111,67 10.14,68 0.348,69 1.525,70 32.65,71 13.595,72 52.097,73 14.241,74 0.639,75 1.675,76 42.748,77 15.762,78 97.564,79 15.002,80 0.584,81 1.637,82 39.194,83 14.789,84 88.674,85 15.577,86 0.624,87 1.509,88 33.699,89 13.394,90 76.383,91 15.27,92 0.463,93 1.518,94 34.095,95 13.304,96 63.825,97 15.271,98 0.586,99 1.368,100 35.12,101 12.177,102 89.973,103 12.345,104 18,105 48,106 0.274,107 0.583,108 0.728,109 0.846,110 0.883,111 0.889,112 3.472,113 1.079,114 -4.23,115 -4.17,116 -3.94,118 44.2,124 3,126 1,140 12,141 4,142 2,154 1,163 1,167 1,168 14,169 1,171 1,172 4,175 3,177 1,180 17,181 2,186 10,191 5,194 13,195 2,198 10,203 4,206 11,210 5,211 1,215 3,218 11,219 2,221 1,222 2,225 1,227 5,229 9,230 2,234 6,237 1,239 6,242 5,243 2,247 8,252 4,253 1,255 5,256 1,258 2,259 9,262 1,263 1,264 1,267 10,270 1772,271 20.852,272 20.852,273 20.852,274 20.852,275 20.852,276 18.268,277 17.155,278 12.337,279 21.336,280 16.783,281 16.783,282 16.783,283 16.783,284 16.783,285 12.809,286 16.418,287 5.808,288 17.584,289 4.036,290 2.162,291 1.281,292 0.569,293 0.346,294 0.308,295 4.168,299 1,300 1,301 759,302 4.062,306 229.866,307 79.657,311 251.214,313 1.409,314 42.823,317 1,318 0.83,319 1,320 0.6,321 0.5,322 1,323 1,324 0.85,325 67.5,326 351,327 4.842,328 4.684,329 7.292,330 4.289,331 3.372,332 4.694,333 3.691,334 12.402,335 3.099,336 4.487,337 4.566,338 6.808,339 4.174,340 3.207,341 4.085,342 1.437,343 11.265,344 3.06,345 4.162,346 3.582,347 6.137,348 3.778,349 2.781,350 3.771,351 1.151,352 8.959,353 2.765,354 3.825,355 3.307,356 5.823,357 3.455,358 2.469,359 3.196,360 0.462,361 7.815,362 2.421,363 3.557,364 2.836,365 5.267,366 3.067,367 2.157,368 3.053,370 6.344,371 2.039,372 3.325,373 2.739,374 4.927,375 3.034,376 2.045,377 2.478,379 5.388,380 1.937,381 2.929,382 2.069,383 4.264,384 2.5,385 1.561,386 2.1,388 3.648,389 1.479,390 2.775,391 2.003,392 3.969,393 2.431,394 1.468,395 1.841,397 3.45,398 1.378,399 2.736,400 1.709,401 3.787,402 2.288,403 1.295,404 1.8,406 3.086,407 1.285,408 2.723,409 1.525,410 3.705,411 2.257,412 1.26,413 1.781,415 2.917,416 1.234,417 2.598,418 1.433,419 3.602,420 2.169,421 1.193,422 1.599,424 2.75,425 1.153,426 2.5,427 1.38,428 3.403,429 2,430 1,431 1.5,433 2.136,434 1,435 2.163,436 1.032,437 3.247,438 1.798,439 0.855,440 1.079,442 2.087,443 0.793,444 1.832,445 1,446 3.201,447 1.529,448 0.646,449 0.74,451 1.528,452 0.561,453 1.289,454 0.997,455 2.97,456 1.029,457 0.133,458 0.149,460 0.323,461 0.117,462 15.233,463 0.491,464 0.804,465 0.026,466 41.75,467 1.347,468 23,469 0.742,470 18.75,471 0.605,472 26.642,473 0.859,474 32.767,475 0.63,476 33.023,477 1.065,478 7.843,479 0.253,480 7.111,481 0.229,482 0.088,483 0.055,484 0.263,487 0.633,488 1.034,489 0.774,490 1.018,491 0.693,492 0.844,493 0.637,494 1.014,495 1.076,496 1.067,497 0.478,498 0.994,499 0.855,500 1.116,501 1.123,502 1.157,503 0.719,504 1.019,505 1.263,506 1.067,507 1.251,508 1.128,509 1.167,510 1.075,511 0.998,512 1.037,513 1.145,514 1.096,515 0.99,516 1.054,517 0.663,518 1.096,519 0.952,520 1.058,521 0.637,522 1.119,523 0.801,524 1.116,525 0.927,526 1.015,527 0.759,528 1.047,529 1.326,530 0.961,531 1.084,532 0.974,533 1.359,534 0.88,535 6,536 0.205,537 4.222,538 2.25,539 1.669,540 1.045,541 0.591,542 0.55,543 0.491,544 0.369,545 12614,546 40243,547 2.077,548 40.4,550 19,553 2,558 1.74,559 1.948,560 3.424,561 0.225,563 1,567 86.533,568 1.664,569 3.538,570 4.419,571 5.131,572 5.354,573 5.393,574 2.736,575 4.632,576 4.927,577 3.617,578 1681.79,579 8.625,580 23950.3,585 296.423,586 1.501,587 4.881,588 0.176,589 0.006,590 0.088,591 0.042,592 0.034,593 0.023,594 0.015,595 0.015,596 0.014,597 0.01,598 0.423,599 0.33,600 1,601 0.701,602 160.25,603 0.025,604 0.013,605 0.153,606 0.012,607 -0.128,608 0.065,609 0.193,610 0.034,611 -0.088,612 -0.032,613 0.243,614 -0.071,615 -0.053,616 -0.096,617 -0.049,618 -0.081,619 0.015,620 -0.036,621 -0.194,622 -0.051,623 -0.103,624 -0.031,625 -0.131,626 -0.096,627 -0.105,628 -0.035,629 -0.082,630 -0.057,631 -0.106,632 -0.051,633 0.122,634 -0.125,635 -0.002,636 -0.093,637 0.026,638 -0.109,639 0.02,640 -0.126,641 0.062,642 -0.045,644 -0.027,645 -0.144,646 0.063,647 0.067,648 0.077,649 -0.096,650 0.12,651 4.492,652 5.449,653 0.677,654 29.134,655 1.014,656 1.106,657 2.999,658 8.991,659 0.715,660 3.555,661 3.892,662 4.159,663 4.394,664 4.654,665 4.762,666 4.89,667 4.984,668 5.13,669 5.226,670 6.835,671 0.678,672 455.59,673 3.555,674 5.106,675 5.958,676 6.843,677 7.716,678 8.606,679 9.488,680 10.38,681 11.266,682 12.16,683 1.9,685 1,699 12,704 6,706 18,714 1,722 1,724 52,726 21,727 3,728 34,730 55,731 23,733 18,734 6,735 12,736 1,739 4,740 7,748 1,751 1,753 19,754 4,756 3,760 1,761 3,765 1,769 1,772 21,773 6,774 2,775 8,776 2,779 1,784 0.5,785 5,802 3,803 1,807 2,830 1,832 2,833 1,834 2,840 31,844 1,845 1,846 3,847 1,848 1,849 1,850 1,862 9.6,864 1,865 3,867 1,869 15.917,870 9.033,871 6.764,872 2.904,874 3.236,875 1.41,876 0.981,877 6.56,878 11.122,879 3.85,880 4.46,881 4.975,882 5.48,883 6.01,884 6.185,885 6.528,886 6.75,887 7.151,888 7.481,889 1,890 54,891 11.739,893 5.336,894 7.992,895 21.715,897 18.3,899 2.492,900 77.25,903 1,904 223.651,905 179.786,906 16.405,908 123.141,910 38.027,911 141.759,912 346.792,913 16.405,915 7.598,916 135.927,917 113.051,918 30.536,920 255.87,922 223.651,923 158.164,924 123.141,925 38.027,927 223.651,928 123.141,931 24.003,932 134.161,933 5.807,934 32.22,935 223.651,936 139.546,937 179.786,939 5.807,940 223.651,941 60.264,942 113.715,943 16.405,944 123.141,945 223.651,946 139.546,947 179.786,949 0.584,950 0.342,951 0.18,952 0.1,953 23,954 10,955 0.127,956 7,957 2,958 1.19,959 4.13,960 284.58,961 0.19,962 21,963 145.58,964 1,967 1,968 21.753,969 9.349,970 4.898,972 139.546,973 20.991,978 3.906,980 59.088,981 542.983,982 46,986 -3.575,987 36.404,991 -1,994 52.727,995 57.537,996 0.292,997 0.621,998 0.775,999 0.9,1000 0.939,1001 0.946,1002 5.091,1003 1.468,1004 5.969,1005 3.648,1006 4.575,1007 5.147,1008 3.53,1009 6.825,1010 4.486,1011 6.319,1012 1.295,1013 7.564,1014 3.45,1015 4.29,1016 5.147,1017 2.218,1018 8.034,1019 4.136,1020 7.661,1021 1.26,1022 9.278,1023 3.086,1024 6.248,1025 7.424,1026 5.841,1027 11.086,1028 6.061,1029 9.048,1030 1.193,1031 11.066,1032 2.917,1033 6.815,1034 8.271,1035 5.197,1036 13.125,1037 6.539,1038 10.474,1039 1,1040 12.903,1041 2.75,1042 8.269,1043 10.064,1044 8.367,1045 15.764,1046 7.962,1047 11.928,1048 0.855,1049 14.771,1050 2.136,1051 9.197,1052 11.274,1053 8.083,1054 18.09,1055 8.795,1056 13.404,1057 0.646,1058 16.661,1059 2.087,1060 10.473,1061 12.894,1062 10.926,1063 20.618,1064 10.027,1065 3.372,1066 0.133,1067 18.568,1068 1.528,1069 11.554,1070 14.269,1071 10.89,1072 23.047,1073 11.016,1074 3.207,1075 12.402,1076 20.487,1077 0.323,1078 12.769,1079 15.825,1080 13.492,1081 25.546,1082 12.174,1083 2.781,1084 11.265,1085 22.415,1086 4.694,1087 13.914,1088 17.278,1089 13.647,1090 28.015,1091 13.232,1092 2.469,1093 8.959,1094 24.351,1095 4.085,1096 15.11,1097 18.811,1098 16.062,1099 30.51,1100 14.362,1101 2.157,1102 7.815,1103 26.293,1104 3.771,1105 16.283,1106 20.304,1107 16.372,1108 32.996,1109 15.451,1110 2.045,1111 6.344,1112 28.241,1113 3.196,1114 17.476,1115 21.832,1116 18.636,1117 35.492,1118 16.571,1119 1.561,1120 5.388,1121 30.192,1122 3.053,1123 18.662,1124 23.345,1125 19.075,1126 37.987,1127 17.675,1128 12044,1129 21667,1130 22.652,1131 37.188,1132 51.027,1133 55.368,1134 52.097,1135 50.828,1136 50.885,1137 67.734,1138 13.48,1139 148.195,1140 48.642,1141 5.796,1142 6.684,1143 7.094,1144 5.425,1145 5.372,1146 7.694,1147 7.163,1148 19.764,1149 5.099,1150 14.645,1151 1.501,1152 1.628,1153 1.532,1154 1.495,1155 1.497,1156 1.992,1157 0.396,1158 4.359,1159 1.431,1160 4.082,1161 4.076,1162 4.735,1163 4.065,1164 7.717,1165 3.999,1166 4.024,1167 4.021,1168 4.077,1169 3.984,1170 7.475,1171 3.947,1172 3.822,1173 3.842,1174 3.773,1175 3.765,1176 6.999,1177 3.762,1178 3.663,1179 3.69,1180 3.704,1181 3.574,1182 6.351,1183 3.514,1184 3.412,1185 3.416,1186 3.659,1187 3.389,1188 4.875,1189 3.29,1190 3.333,1191 3.336,1192 3.288,1193 3.115,1194 4.716,1195 3.137,1196 3.145,1197 3.183,1198 3.025,1199 2.988,1200 4.632,1201 2.976,1202 3.071,1203 3.108,1204 2.977,1205 2.9,1206 4.243,1207 2.914,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.842,1214 0.138,1215 4.684,1216 0.109,1217 7.292,1218 0.365,1219 4.289,1220 0.091,1221 3.372,1222 4.694,1223 3.691,1224 12.402,1225 3.099,1226 1.964,1227 1.965,1228 2.042,1229 2.028,1230 1.287,1231 2.069,1232 1.952,1233 1.943,1234 1.996,1235 2.012,1236 1.178,1237 2.028,1238 1.87,1239 1.853,1240 1.967,1241 1.968,1242 1.097,1243 1.968,1244 1.582,1245 1.558,1246 1.733,1247 1.758,1248 1.027,1249 1.792,1250 1.329,1251 1.34,1252 1.453,1253 1.504,1254 0.631,1255 1.511,1256 1.219,1257 1.201,1258 1.337,1259 1.435,1260 0.599,1261 1.456,1262 1.144,1263 1.105,1264 1.181,1265 1.339,1266 0.514,1267 1.337,1268 0.994,1269 0.962,1270 1.177,1271 1.208,1272 0.218,1273 1.224,1274 4.234,1276 5.565,1278 7.093,1279 2.708,1280 8.708,1281 5.38,1282 10.37,1289 9.426,1290 1.143,1291 2.634,1292 5.941,1293 1.552,1294 -0.172,1300 35.238,1301 86.533,1302 183.977,1303 229.794,1304 266.813,1305 278.423,1306 280.423,1307 72.131,1308 7.886,1309 92.7,1310 126.38,1311 25,1312 12.688,1313 4.459,1314 3.7,1315 49.284,1316 122,1317 139,1318 0.187,1319 221.584,1320 389.89,1321 532.425,1322 31799,1324 21.847,1325 0.705,1326 0.586,1327 22.45,1328 18.157,1329 14.954,1330 0.44,1331 0.36,1332 9.81,1333 13.252,1334 9.392,1335 7.727,1336 16.23,1337 12.229,1338 13.76,1339 0.287,1340 0.208,1341 15.64,1342 9.987,1343 11.326,1344 0.18,1345 0.123,1346 13.13,1347 7.75,1348 9.171,1349 0.115,1350 0.074,1351 10.854,1352 5.889,1353 7.671,1354 0.074,1355 0.043,1356 9.342,1357 4.521,1358 0.293,1359 105.968,1360 0.21,1361 28.941,1362 0.518,1363 164,1364 521.146,1365 236.829,1366 539.206,1367 718.82,1368 498,1369 193,1370 470.375,1371 269.689,1372 522.555,1373 766.11,1374 490,1375 4.62} {0 CHEMBL324533,1 1.629,2 18.262,3 2.926,4 8.561,5 162.181,6 7.549,7 0.391,8 4.448,9 4.565,10 4.051,11 3.987,12 5.535,13 3.951,14 5.002,15 5.178,16 4.382,17 4.387,18 6.054,19 4.317,20 5.277,21 5.495,22 4.416,23 4.525,24 6.244,25 4.42,26 5.341,27 5.576,28 4.445,29 4.497,30 6.322,31 4.399,32 5.3,33 5.518,34 4.414,35 4.513,36 6.281,37 4.416,38 5.343,39 5.576,40 4.371,41 4.556,42 6.296,43 4.426,44 5.321,45 5.566,46 4.283,47 4.503,48 6.249,49 4.368,50 5.239,51 5.484,52 4.237,53 4.458,54 6.124,55 4.336,56 0.098,57 1.17,58 16.679,59 7.342,60 15.148,61 9.438,62 0.437,63 1.929,64 35.091,65 12.144,66 52.135,67 16.059,68 0.557,69 2.316,70 46.821,71 16.428,72 67.254,73 21.949,74 0.722,75 2.357,76 53.737,77 16.708,78 92.991,79 22.58,80 0.698,81 2.288,82 48.008,83 16.273,84 83.33,85 21.68,86 0.754,87 2.419,88 53.048,89 18.169,90 84.929,91 24.385,92 0.731,93 2.323,94 51.556,95 17.505,96 83.217,97 24.291,98 0.381,99 2.194,100 42.698,101 15.624,102 51.356,103 22.322,104 17,105 61,106 0.249,107 0.585,108 0.791,109 0.877,110 0.892,111 0.896,112 3.764,113 0.999,114 -3.26,115 -3.25,116 -3.11,118 39.7,120 3,124 7,126 1,127 1,140 8,141 4,143 4,153 1,154 2,162 1,163 1,167 1,168 12,169 1,171 1,172 9,175 1,177 3,180 11,181 1,185 1,186 12,189 2,191 2,194 7,195 1,197 1,198 15,201 1,203 2,206 6,209 2,210 11,211 1,218 7,221 2,222 8,223 1,225 2,229 8,233 4,234 9,237 1,242 9,246 1,247 6,252 1,255 7,256 2,258 1,259 8,264 4,267 5,268 3,270 4238,271 28.896,272 28.896,273 28.896,274 28.896,275 28.896,276 26.224,277 27.777,278 17.705,279 29.574,280 22.781,281 22.781,282 22.781,283 22.781,284 22.781,285 18.816,286 29.96,287 8.506,288 23.827,289 4.657,290 2.45,291 1.103,292 0.538,293 0.436,294 0.41,295 4.47,300 1,301 1657,302 4.472,305 139.089,306 651.222,313 2.798,314 40.81,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,323 0.5,324 0.69,325 91,326 767,327 4.392,328 4.549,329 6.508,330 4.017,331 3.049,332 3.986,333 3.528,334 10.225,335 2.988,336 4.187,337 4,338 6.434,339 3.995,340 3.028,341 3.562,342 2.373,343 9.879,344 2.894,345 4.009,346 3.802,347 6.114,348 3.733,349 2.788,350 3.481,351 2.341,352 8.917,353 2.635,354 3.932,355 3.596,356 5.623,357 3.59,358 2.618,359 3.265,360 1.985,361 7.785,362 2.548,363 3.567,364 3.058,365 5.328,366 3.307,367 2.344,368 2.87,369 0.916,370 6.749,371 2.243,372 3.55,373 2.988,374 5.166,375 3.24,376 2.235,377 2.71,378 0.635,379 6.183,380 2.22,381 3.399,382 2.898,383 4.882,384 3.059,385 2.11,386 2.518,387 0.478,388 5.49,389 2.008,390 3.235,391 2.526,392 4.659,393 2.897,394 1.952,395 2.374,396 0.172,397 5.184,398 1.823,399 3.001,400 2.246,401 4.407,402 2.69,403 1.738,404 2.145,405 0.048,406 4.26,407 1.643,408 2.869,409 2.154,410 4.127,411 2.597,412 1.661,413 1.939,415 3.824,416 1.548,417 2.789,418 2.037,419 3.712,420 2.454,421 1.481,422 1.831,424 3.268,425 1.437,426 2.662,427 1.923,428 3.666,429 2.203,430 1.22,431 1.723,433 2.775,434 1.197,435 2.503,436 1.747,437 3.502,438 2.136,439 1.173,440 1.5,442 2.674,443 1.126,444 2.5,445 1.519,446 3.434,447 2.104,448 1.142,449 1.5,451 2.504,452 1.076,453 2.5,454 1.376,455 3.414,456 1.967,457 1,458 1.442,460 2.275,461 0.965,462 20.067,463 0.478,464 0.78,465 0.019,466 50,467 1.19,468 22.5,469 0.536,470 27.5,471 0.655,472 42.525,473 1.012,474 45.933,475 0.589,476 41.467,477 0.987,478 9.657,479 0.23,480 10.906,481 0.26,482 0.05,484 0.264,487 0.737,488 1.346,489 0.774,490 1.058,491 0.618,492 0.989,493 0.86,494 1.2,495 1.105,496 1.112,497 0.528,498 1.031,499 0.974,500 1.064,501 1.028,502 1.04,503 0.901,504 1.055,505 1.178,506 0.995,507 0.987,508 0.973,509 1.207,510 0.934,511 1.215,512 1.004,513 0.995,514 0.922,515 1.05,516 0.98,517 0.796,518 1.004,519 1.122,520 1.089,521 0.654,522 1.07,523 0.743,524 1.012,525 1.022,526 1.045,527 0.66,528 1.05,529 0.656,530 1.037,531 0.828,532 0.975,533 0.561,534 1.056,535 6.5,536 0.267,537 3.778,538 2.25,539 1.442,540 1.001,541 0.897,542 0.506,543 0.306,544 0.284,545 34891,546 96673,547 2.117,548 46.2,549 2,550 23,551 1,552 4,553 2,554 2,555 2,558 1.809,559 2.032,560 4.106,561 0.149,567 127.054,568 1.629,569 3.835,570 5.183,571 5.747,572 5.85,573 5.875,574 3.607,575 5.011,576 5.358,577 4.318,578 3717.49,579 9.463,580 71920.7,585 490.261,586 1.168,587 5.346,588 0.141,589 0.005,590 0.062,591 0.037,592 0.024,593 0.016,594 0.015,595 0.009,596 0.006,597 0.005,598 0.322,599 0.33,600 0.5,601 1.299,602 246.456,603 0.023,604 -0.146,605 0.066,606 -0.007,607 0.004,608 0.006,609 -0.004,610 -0.039,611 -0.083,612 -0.048,613 0.093,614 -0.051,615 -0.057,616 -0.029,617 -0.065,618 -0.047,619 -0.052,620 -0.071,621 -0.084,622 -0.006,623 0.041,624 0.015,625 -0.101,626 0.04,627 -0.118,628 -0.002,629 -0.046,630 0.04,631 -0.111,632 -0.01,633 0.052,634 0.007,635 -0.098,636 -0.06,637 0.029,638 -0.067,639 0.069,640 -0.036,641 -0.054,642 -0.053,643 0.047,644 -0.044,645 -0.008,646 -0.044,647 -0.014,648 -0.061,649 0.003,650 -0.057,651 2.473,652 6.231,653 0.69,654 67.082,655 1.003,656 1.128,657 2.028,658 4.114,659 0.666,660 3.85,661 4.127,662 4.369,663 4.605,664 4.804,665 4.86,666 5.004,667 5.112,668 5.198,669 5.313,670 10.38,671 0.629,672 588.8,673 3.85,674 5.371,675 6.201,676 7.054,677 7.901,678 8.763,679 9.619,680 10.485,681 11.347,682 12.217,683 7.7,685 1,686 1,690 1,692 1,693 2,699 12,700 2,704 4,706 18,709 1,724 78,726 21,727 1,728 46,730 82,731 31,733 16,734 2,735 4,736 1,739 5,740 5,748 1,751 4,753 19,754 12,756 3,761 2,764 1,765 3,772 36,773 10,774 2,775 11,776 1,779 6,784 1,785 4,795 2,801 1,802 4,817 1,818 1,826 1,828 1,830 1,832 5,833 1,834 1,840 42,845 1,846 10,847 1,848 1,849 1,850 2,851 2,862 5.1,864 1,865 2,867 1,869 20.667,870 13.533,871 9.389,872 4.714,874 2.966,875 1.346,876 0.952,877 10.967,878 11.543,879 4.078,880 4.559,881 5.029,882 5.501,883 5.969,884 6.051,885 6.405,886 6.675,887 6.894,888 7.127,889 1,890 61,891 15.585,893 6.584,894 7.742,895 30.02,897 24.728,899 2.242,900 94.167,904 400.217,905 188.957,906 77.23,908 104.192,910 32.22,911 156.737,912 504.409,913 77.23,915 26.749,916 93.821,917 182,918 82.675,919 11.771,920 373.581,922 400.217,923 233.968,924 104.192,925 32.22,927 376.675,928 127.734,931 103.473,932 96.924,933 33.571,934 32.22,935 400.217,936 181.422,937 188.957,940 400.217,941 76.957,942 118.248,943 18.011,944 157.163,945 400.217,946 181.422,947 188.957,949 0.566,950 0.32,951 0.173,952 0.093,953 26,954 11,955 0.146,956 12,958 1,959 5.343,960 403.967,962 29,963 220.477,964 1,968 30.181,969 15.262,970 8.624,972 181.422,973 23.117,974 8.446,978 4.02,980 60.694,981 770.597,982 58,987 23.97,990 4.421,991 0.056,994 78.25,995 87.975,996 0.259,997 0.61,998 0.825,999 0.914,1000 0.931,1001 0.935,1002 5.301,1003 1.952,1004 6.146,1005 5.49,1006 4.812,1007 5.247,1008 3.993,1009 6.899,1010 4.728,1011 6.445,1012 1.738,1013 7.662,1014 5.184,1015 4.205,1016 4.745,1017 2.94,1018 7.684,1019 4.104,1020 7.706,1021 1.661,1022 9.282,1023 4.26,1024 6.34,1025 7.244,1026 6.017,1027 10.788,1028 6.184,1029 8.998,1030 1.481,1031 10.967,1032 3.824,1033 6.608,1034 7.576,1035 5.215,1036 12.456,1037 6.431,1038 10.324,1039 1.22,1040 12.695,1041 3.268,1042 8.15,1043 9.533,1044 8.308,1045 15.044,1046 7.928,1047 11.675,1048 1.173,1049 14.454,1050 2.775,1051 8.836,1052 10.276,1053 7.663,1054 17.068,1055 8.588,1056 13.044,1057 1.142,1058 16.235,1059 2.674,1060 10.123,1061 11.979,1062 10.707,1063 19.476,1064 9.837,1065 3.049,1066 1,1067 18.031,1068 2.504,1069 11.018,1070 12.956,1071 10.243,1072 21.651,1073 10.703,1074 3.028,1075 10.225,1076 19.84,1077 2.275,1078 12.193,1079 14.518,1080 13.155,1081 23.993,1082 11.843,1083 2.788,1084 9.879,1085 21.659,1086 3.986,1087 13.191,1088 15.638,1089 12.869,1090 26.236,1091 12.812,1092 2.618,1093 8.917,1094 23.484,1095 3.562,1096 14.317,1097 17.118,1098 15.627,1099 28.552,1100 13.906,1101 2.344,1102 7.785,1103 25.316,1104 3.481,1105 15.367,1106 18.329,1107 15.5,1108 30.827,1109 14.926,1110 2.235,1111 6.749,1112 27.152,1113 3.265,1114 16.475,1115 19.761,1116 18.11,1117 33.135,1118 16.003,1119 2.11,1120 6.183,1121 28.992,1122 2.87,1123 17.55,1124 21.03,1125 18.12,1126 35.425,1127 17.049,1128 32848,1129 54806,1130 31.493,1131 51.921,1132 67.975,1133 73.041,1134 68.715,1135 67.386,1136 67.382,1137 83.484,1138 24.955,1139 183.064,1140 64.434,1141 5.392,1142 6.549,1143 6.332,1144 5.121,1145 5.049,1146 6.986,1147 6.918,1148 17.087,1149 4.988,1150 16.572,1151 1.478,1152 1.588,1153 1.494,1154 1.465,1155 1.465,1156 1.815,1157 0.542,1158 3.98,1159 1.401,1160 4.021,1161 4.06,1162 4.059,1163 3.938,1164 7.474,1165 3.937,1166 3.926,1167 3.963,1168 3.946,1169 3.845,1170 7.427,1171 3.828,1172 3.846,1173 3.899,1174 3.772,1175 3.724,1176 6.351,1177 3.728,1178 3.78,1179 3.823,1180 3.715,1181 3.635,1182 5.01,1183 3.645,1184 3.728,1185 3.775,1186 3.643,1187 3.568,1188 4.897,1189 3.564,1190 3.627,1191 3.682,1192 3.6,1193 3.501,1194 4.799,1195 3.474,1196 3.422,1197 3.449,1198 3.343,1199 3.166,1200 4.661,1201 3.194,1202 3.266,1203 3.323,1204 3.26,1205 3.087,1206 4.343,1207 3.094,1208 0.095,1209 0.099,1210 0.141,1211 0.087,1212 0.066,1213 4.392,1214 0.087,1215 4.549,1216 0.077,1217 6.508,1218 0.222,1219 4.017,1220 0.065,1221 3.049,1222 3.986,1223 3.528,1224 10.225,1225 2.988,1226 1.964,1227 1.938,1228 2.069,1229 2.072,1230 1.323,1231 2.072,1232 1.845,1233 1.81,1234 1.97,1235 2.001,1236 1.276,1237 1.994,1238 1.814,1239 1.771,1240 1.95,1241 1.963,1242 1.161,1243 1.966,1244 1.747,1245 1.693,1246 1.945,1247 1.896,1248 1.076,1249 1.912,1250 1.704,1251 1.653,1252 1.897,1253 1.891,1254 1.037,1255 1.897,1256 1.505,1257 1.454,1258 1.689,1259 1.714,1260 0.954,1261 1.714,1262 1.309,1263 1.271,1264 1.555,1265 1.606,1266 0.825,1267 1.577,1268 1.223,1269 1.185,1270 1.513,1271 1.415,1272 0.771,1273 1.429,1274 4.533,1276 5.82,1277 2.398,1278 7.295,1279 4.595,1280 8.854,1281 6.605,1282 10.458,1289 8.825,1290 6.193,1291 3.483,1292 5.594,1293 1.756,1294 -0.073,1295 4.357,1300 49.077,1301 127.054,1302 299.134,1303 404.261,1304 448.261,1305 456.261,1306 458.261,1307 89.166,1308 8.576,1309 120.25,1310 145.55,1311 29,1312 12.762,1313 4.459,1314 3.7,1315 69.141,1316 261,1317 268,1318 0.124,1319 303.919,1320 538.35,1321 733.322,1322 80971,1324 29.15,1325 0.694,1326 0.578,1327 29.503,1328 24.287,1329 20.564,1330 0.447,1331 0.333,1332 14.158,1333 19.286,1334 13.811,1335 11.362,1336 21.018,1337 15.317,1338 17.847,1339 0.293,1340 0.189,1341 18.398,1342 11.525,1343 14.629,1344 0.188,1345 0.11,1346 15.333,1347 8.592,1348 12.01,1349 0.121,1350 0.064,1351 12.816,1352 6.303,1353 9.533,1354 0.079,1355 0.035,1356 10.151,1357 4.21,1358 0.204,1359 133.705,1360 0.178,1361 38.34,1362 0.319,1363 214,1364 634.775,1365 257.406,1366 627.101,1367 840.33,1368 588,1369 246,1370 585.067,1371 287.422,1372 598.486,1373 867.45,1374 562,1375 7.921} {0 CHEMBL326356,1 1.64,2 11.138,3 2.76,4 7.615,5 112.326,6 7.457,7 0.387,8 4.106,9 4.215,10 3.81,11 3.651,12 5.132,13 3.602,14 4.681,15 4.854,16 4.067,17 4.052,18 5.943,19 3.964,20 4.951,21 5.167,22 4.017,23 4.195,24 5.917,25 4.048,26 5.01,27 5.249,28 3.933,29 4.124,30 6.052,31 4,32 4.871,33 5.081,34 3.894,35 4.093,36 5.943,37 3.975,38 4.924,39 5.169,40 3.936,41 4.12,42 5.876,43 3.981,44 4.94,45 5.192,46 3.976,47 4.091,48 5.918,49 3.963,50 4.898,51 5.124,52 3.93,53 4.038,54 5.971,55 3.918,56 0.114,57 0.832,58 15.363,59 5.464,60 20.625,61 7.067,62 0.574,63 1.333,64 25.35,65 9.485,66 80.857,67 12.491,68 0.384,69 1.608,70 38.879,71 13.414,72 69.393,73 16.95,74 0.628,75 1.564,76 41.976,77 12.877,78 108.641,79 16.588,80 0.426,81 1.436,82 30.588,83 11.068,84 77.744,85 14.715,86 0.303,87 1.501,88 34.692,89 12.614,90 57.021,91 17.019,92 0.353,93 1.501,94 34.604,95 12.004,96 61.188,97 16.426,98 0.452,99 1.443,100 36.944,101 11.632,102 82.041,103 14.874,104 20,105 42,106 0.27,107 0.575,108 0.759,109 0.843,110 0.857,111 0.863,112 3.408,113 1.097,114 -3.67,115 -3.64,116 -3.46,118 37.5,120 6,124 3,140 5,141 4,143 2,154 1,163 1,167 1,168 14,169 1,171 3,172 5,175 4,177 2,180 16,181 1,186 3,191 2,194 15,195 1,198 9,203 5,206 13,207 2,210 7,215 4,218 10,219 2,222 10,227 5,229 8,230 3,234 12,239 5,242 6,243 1,247 11,252 2,253 1,255 5,256 1,259 7,260 1,262 2,263 1,264 2,267 4,268 1,270 1558,271 19.247,272 19.247,273 19.247,274 19.247,275 19.247,276 17.277,277 24.9,278 11.673,279 19.408,280 15.362,281 15.362,282 15.362,283 15.362,284 15.362,285 12.254,286 32.146,287 5.621,288 15.608,289 4.167,290 2.318,291 1.203,292 0.692,293 0.607,294 0.571,295 4.087,299 1,300 1,301 678,302 4.183,305 95.196,306 214.399,313 1.719,314 37.969,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 63.5,326 323,327 4.792,328 3.6,329 7.293,330 4.359,331 3.375,332 4.555,333 2.341,334 12.404,335 3.323,336 4.222,337 3.45,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.082,347 5.407,348 3.507,349 2.515,350 3.435,351 0.4,352 7.187,353 2.495,354 3.569,355 2.749,356 5.043,357 3.266,358 2.263,359 2.757,361 6.111,362 2.252,363 3.352,364 2.404,365 4.936,366 3.054,367 2.075,368 2.601,370 5.601,371 2.033,372 3.297,373 2.205,374 4.856,375 2.983,376 2,377 2.535,379 5.425,380 1.955,381 3.144,382 2.143,383 4.586,384 2.921,385 1.925,386 2.152,388 4.972,389 1.911,390 2.849,391 1.488,392 3.663,393 2.37,394 1.402,395 2,397 3.026,398 1.354,399 2.5,400 1.324,401 3.587,402 2.131,403 1.165,404 1.5,406 2.588,407 1.122,408 2.267,409 1.056,410 3.279,411 1.956,412 1,413 1.243,415 2.136,416 0.953,417 1.934,418 1,419 3.247,420 1.803,421 0.833,422 0.884,424 1.958,425 0.806,426 1.779,427 0.944,428 3,429 1.591,430 0.618,431 0.636,433 1.372,434 0.6,435 1.618,436 0.744,437 3,438 1.559,439 0.555,440 0.618,442 1.251,443 0.552,444 1.295,445 0.42,446 2.874,447 0.991,453 1.135,454 0.253,455 2.839,456 0.888,457 -0.089,458 -0.102,460 -0.231,461 -0.087,462 13.867,463 0.478,464 0.751,465 0.026,466 34.25,467 1.181,468 16.5,469 0.569,470 17.75,471 0.612,472 26.374,473 0.909,474 32.933,475 0.588,476 26.216,477 0.904,478 6.408,479 0.221,480 7.513,481 0.259,482 0.096,483 0.06,484 0.209,487 0.602,488 1.454,489 0.851,490 1.327,491 0.665,492 1.053,493 0.449,494 1.031,495 0.912,496 1.007,497 0.406,498 1.048,499 0.899,500 1.149,501 1.29,502 1.262,503 0.855,504 1.158,505 1.267,506 0.898,507 1.189,508 0.976,509 1.304,510 0.921,511 1.121,512 1.024,513 0.976,514 0.959,515 1.117,516 1.113,517 0.646,518 1.057,519 0.835,520 1.011,521 0.589,522 0.993,523 0.775,524 0.987,525 0.743,526 0.885,527 0.744,528 0.916,529 1.17,530 1.115,531 1.194,532 1.135,533 1.117,534 1.031,535 7,536 0.235,537 2.444,538 1.778,539 1.219,540 0.663,541 0.644,542 0.409,543 0.346,544 0.253,545 10902,546 31617,547 2.025,548 48.2,549 4,550 11,552 2,553 2,554 2,555 6,558 1.723,559 1.902,560 3.459,561 0.262,562 1,563 1,567 91.836,568 1.64,569 3.489,570 4.604,571 5.115,572 5.2,573 5.236,574 2.857,575 4.375,576 4.828,577 3.66,578 1486.08,579 8.43,580 21235.2,582 1,584 1,585 325.212,586 1.459,587 4.784,588 0.226,589 0.008,590 0.058,591 0.047,592 0.033,593 0.019,594 0.017,595 0.011,596 0.01,597 0.008,598 0.437,599 0.33,600 1,601 1.064,602 148.959,603 0.063,604 -0.184,605 0.207,606 -0.093,607 -0.092,608 0.018,609 0.35,610 0.129,611 0.017,612 0.023,613 0.293,614 -0.049,615 -0.101,616 -0.096,617 -0.169,618 -0.13,619 -0.076,620 -0.127,621 -0.186,622 0.069,623 -0.115,624 0.043,625 -0.158,626 0.058,627 -0.183,628 -0.021,629 -0.148,630 -0.035,631 -0.127,632 -0.133,633 0.028,634 -0.095,635 0.074,636 -0.022,637 0.053,638 0.033,639 0.003,640 -0.031,641 0.14,642 0.046,644 0.079,645 -0.133,646 -0.112,647 -0.098,648 -0.085,649 -0.106,650 -0.045,651 4.34,652 5.318,653 0.586,654 31.251,655 1.005,656 1.129,657 2.437,658 5.941,659 0.654,660 3.466,661 3.761,662 3.912,663 4.111,664 4.22,665 4.263,666 4.317,667 4.443,668 4.522,669 4.575,670 7.081,671 0.615,672 417.58,673 3.466,674 4.99,675 5.796,676 6.653,677 7.477,678 8.338,679 9.17,680 10.033,681 10.87,682 11.735,683 5.4,685 1,686 1,693 1,699 7,700 1,704 4,706 12,724 56,726 15,727 1,728 31,730 58,731 21,733 11,734 3,735 3,739 3,740 3,748 2,751 6,753 12,754 9,756 3,760 1,761 3,765 1,769 1,772 27,773 7,774 2,775 8,776 1,779 3,784 1,785 4,795 1,798 1,801 1,802 2,818 1,830 1,832 3,834 1,840 29,844 1,845 1,846 9,847 1,851 1,862 7.1,864 1,865 3,869 15.25,870 9.6,871 6.375,872 3.444,874 2.212,875 1.313,876 0.952,877 7.511,878 9.287,879 3.714,880 4.263,881 4.6,882 5.053,883 5.489,884 5.598,885 5.875,886 6.264,887 6.575,888 6.833,889 1,890 38,891 10.983,893 4.826,894 7.957,895 20.675,897 17.163,899 2.457,900 71.25,903 1,904 294.278,905 106.221,906 34.709,908 112.141,910 5.569,911 100.653,912 406.419,913 34.709,915 21.524,916 69.355,917 153.379,918 32.356,920 270.735,922 294.278,923 135.362,924 112.141,925 5.569,927 223.651,928 182.768,931 57.543,932 61.033,933 22.354,935 294.278,936 146.85,937 106.221,939 5.569,940 294.278,941 35.176,942 66.995,943 16.405,944 128.927,945 294.278,946 146.85,947 106.221,949 0.575,950 0.307,951 0.157,952 0.081,953 18,954 8,955 0.172,956 10,958 1,959 4.114,960 237.482,962 17,963 134.881,967 1,968 21.601,969 10.084,970 6.724,972 146.85,973 13.478,974 4.141,978 4.087,980 59.088,981 547.349,982 40,986 -3.423,987 35.588,991 -0.831,994 56.294,995 63.235,996 0.282,997 0.601,998 0.793,999 0.881,1000 0.895,1001 0.902,1002 4.942,1003 1.402,1004 5.79,1005 4.972,1006 4.443,1007 4.949,1008 2.38,1009 6.569,1010 4.414,1011 6.143,1012 1.165,1013 7.334,1014 3.026,1015 4.111,1016 4.977,1017 2.243,1018 7.695,1019 4.088,1020 7.467,1021 1,1022 8.996,1023 2.588,1024 6.052,1025 7.16,1026 3.641,1027 10.681,1028 6.003,1029 8.834,1030 0.833,1031 10.737,1032 2.136,1033 6.553,1034 8.006,1035 4.112,1036 12.715,1037 6.503,1038 10.24,1039 0.618,1040 12.536,1041 1.958,1042 7.999,1043 9.747,1044 5.203,1045 15.332,1046 7.928,1047 11.674,1048 0.555,1049 14.378,1050 1.372,1051 8.881,1052 10.943,1053 5.889,1054 17.693,1055 8.802,1056 13.131,1058 16.254,1059 1.251,1060 10.153,1061 12.533,1062 6.849,1063 20.228,1064 10.056,1065 3.375,1066 -0.089,1067 18.156,1069 11.213,1070 13.889,1071 7.625,1072 22.694,1073 11.102,1074 2.856,1075 12.404,1076 20.078,1077 -0.231,1078 12.427,1079 15.423,1080 8.526,1081 25.213,1082 12.3,1083 2.515,1084 8.482,1085 22.015,1086 4.555,1087 13.567,1088 16.855,1089 9.342,1090 27.713,1091 13.423,1092 2.263,1093 7.187,1094 23.964,1095 3.858,1096 14.768,1097 18.368,1098 10.216,1099 30.23,1100 14.606,1101 2.075,1102 6.111,1103 25.923,1104 3.435,1105 15.944,1106 19.838,1107 11.051,1108 32.741,1109 15.765,1110 2,1111 5.601,1112 27.888,1113 2.757,1114 17.144,1115 21.345,1116 11.912,1117 35.258,1118 16.948,1119 1.925,1120 5.425,1121 29.858,1122 2.601,1123 18.337,1124 22.834,1125 12.755,1126 37.773,1127 18.124,1128 10656,1129 18291,1130 20.455,1131 36.62,1132 44.885,1133 46.124,1134 45.594,1135 45.145,1136 45.166,1137 57.55,1138 6.842,1139 125.023,1140 44.423,1141 5.763,1142 5.6,1143 7.095,1144 5.395,1145 5.375,1146 7.555,1147 3.925,1148 19.567,1149 5.323,1150 14.29,1151 1.448,1152 1.488,1153 1.471,1154 1.456,1155 1.457,1156 1.856,1157 0.221,1158 4.033,1159 1.433,1160 4.058,1161 4.074,1162 4.723,1163 3.981,1164 7.717,1165 3.96,1166 3.976,1167 3.991,1168 3.945,1169 3.902,1170 7.474,1171 3.819,1172 3.826,1173 3.867,1174 3.759,1175 3.734,1176 6.999,1177 3.734,1178 3.642,1179 3.685,1180 3.559,1181 3.5,1182 6.351,1183 3.466,1184 3.571,1185 3.592,1186 3.493,1187 3.406,1188 4.904,1189 3.397,1190 3.339,1191 3.373,1192 3.237,1193 3.213,1194 4.685,1195 3.183,1196 3.154,1197 3.194,1198 3.039,1199 2.985,1200 4.259,1201 2.988,1202 2.926,1203 2.979,1204 2.776,1205 2.72,1206 4.07,1207 2.724,1208 0.155,1209 0.116,1210 0.235,1211 0.141,1212 0.109,1213 4.792,1214 0.147,1215 3.6,1216 0.076,1217 7.293,1218 0.4,1219 4.359,1220 0.107,1221 3.375,1222 4.555,1223 2.341,1224 12.404,1225 3.323,1226 1.994,1227 1.969,1228 2.106,1229 2.073,1230 1.34,1231 2.088,1232 1.817,1233 1.783,1234 1.944,1235 1.948,1236 1.211,1237 1.968,1238 1.715,1239 1.728,1240 1.86,1241 1.897,1242 1.13,1243 1.921,1244 1.577,1245 1.507,1246 1.802,1247 1.751,1248 1.095,1249 1.793,1250 1.539,1251 1.501,1252 1.678,1253 1.742,1254 1.021,1255 1.746,1256 1.384,1257 1.321,1258 1.632,1259 1.595,1260 0.814,1261 1.612,1262 1.151,1263 1.099,1264 1.384,1265 1.354,1266 0.556,1267 1.386,1268 1.059,1269 1.033,1270 1.169,1271 1.304,1272 0.41,1273 1.314,1274 4.143,1276 5.442,1277 2.398,1278 6.913,1279 4.443,1280 8.464,1281 6.326,1282 10.061,1289 8.994,1290 5.044,1291 2.682,1295 1.49,1300 34.432,1301 91.836,1302 195.382,1303 257.828,1304 286.457,1305 291.212,1306 293.212,1307 75.008,1308 7.075,1309 99.6,1310 107.98,1311 17,1312 12.288,1313 4,1314 3.322,1315 52.248,1316 120,1317 109,1318 0.203,1319 217.036,1320 381.17,1321 521.329,1322 10855,1324 20.692,1325 0.714,1326 0.593,1327 20.942,1328 17.197,1329 13.921,1330 0.449,1331 0.366,1332 9.899,1333 12.651,1334 9.582,1335 7.917,1336 14.742,1337 11.334,1338 12.878,1339 0.307,1340 0.217,1341 14.202,1342 9.1,1343 9.438,1344 0.193,1345 0.134,1346 10.545,1347 6.588,1348 7.588,1349 0.126,1350 0.081,1351 8.461,1352 4.845,1353 5.511,1354 0.082,1355 0.047,1356 6.208,1357 3.141,1358 0.321,1359 95.369,1360 0.221,1361 27.85,1362 0.55,1363 146,1364 449.84,1365 197.416,1366 451.809,1367 594.1,1368 414,1369 164,1370 388.6,1371 221.715,1372 430.422,1373 615.72,1374 402,1375 7.658} {0 CHEMBL326710,1 1.557,2 7.857,3 2.197,4 4.825,5 80.331,6 7.457,7 0.652,8 3.744,9 3.861,10 3.313,11 3.265,12 4.881,13 3.254,14 4.26,15 4.439,16 3.655,17 3.661,18 5.419,19 3.626,20 4.448,21 4.641,22 3.564,23 3.771,24 5.438,25 3.68,26 4.558,27 4.798,28 3.544,29 3.785,30 5.478,31 3.668,32 4.45,33 4.672,34 3.565,35 3.734,36 5.41,37 3.637,38 4.498,39 4.727,40 3.544,41 3.67,42 5.548,43 3.587,44 4.426,45 4.686,46 3.342,47 3.522,48 5.457,49 3.419,50 4.277,51 4.52,52 3.008,53 3.283,54 5.4,55 3.148,56 0.031,57 0.567,58 7.701,59 3.293,60 8.111,61 4.329,62 0.251,63 0.911,64 14.448,65 5.226,66 34.955,67 7.256,68 0.188,69 1.02,70 17.961,71 7.018,72 32.062,73 9.512,74 0.358,75 1.091,76 21.561,77 7.788,78 35.621,79 11.087,80 0.1,81 1.006,82 18.369,83 7.309,84 18.599,85 10.325,86 0.229,87 1.023,88 20.073,89 6.824,90 28.654,91 9.606,92 0.223,93 0.889,94 19.662,95 6.538,96 34.234,97 9.356,98 0.356,99 0.719,100 17.278,101 5.559,102 48.585,103 7.66,104 13,105 32,106 0.278,107 0.66,108 0.855,109 0.887,110 0.887,111 0.887,112 3.104,113 0.899,114 -2.97,115 -2.97,116 -2.87,118 42.1,119 1,120 1,124 2,140 3,141 3,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 6,175 1,177 1,180 7,186 3,187 1,194 6,197 2,198 3,201 1,206 5,210 4,218 2,219 3,221 1,222 7,227 3,229 1,230 2,234 4,235 1,239 2,242 1,243 1,246 1,247 4,250 1,252 1,256 1,259 1,260 1,264 1,270 553,271 14.085,272 14.085,273 14.085,274 14.085,275 14.085,276 12.082,277 16.861,278 8.416,279 14.365,280 11.392,281 11.392,282 11.392,283 11.392,284 11.392,285 8.363,286 21.2,287 4.065,288 11.843,289 3.691,290 1.551,291 0.461,292 0.283,293 0.283,294 0.283,295 3.781,298 1,299 1,300 1,301 350,302 3,305 94.254,306 51.978,309 80.284,313 1.306,314 16.313,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 45.5,326 165,327 4.656,328 3.6,329 6.764,330 4.187,331 3.214,332 4.623,333 2.341,334 11.136,335 3.129,336 3.935,337 3.301,338 5.645,339 3.483,340 2.56,341 3.492,342 0.522,343 7.567,344 2.374,345 3.706,346 2.719,347 5.331,348 3.333,349 2.352,350 3.144,352 6.746,353 2.297,354 3.549,355 2.494,356 5.037,357 3.188,358 2.191,359 2.834,361 5.967,362 2.162,363 3.422,364 2.196,365 4.744,366 2.982,367 2.012,368 2.679,370 5.197,371 1.938,372 2.966,373 1.744,374 4.573,375 2.543,376 1.572,377 2.136,379 4.618,380 1.521,381 2.631,382 1.296,383 3.792,384 2.163,385 1.216,386 1.681,388 2.867,389 1.15,390 2.389,391 1.102,392 3.391,393 1.93,394 0.962,395 1.342,397 2.34,398 0.929,399 2.118,400 0.911,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.725,409 0.618,410 2.952,411 1.462,412 0.479,413 0.561,415 1.084,416 0.466,417 1.18,418 0.388,419 2.713,420 0.834,421 -0.132,422 -0.167,424 -0.345,425 -0.127,426 0.824,427 0.102,428 2.421,429 0.515,430 -0.456,431 -0.547,433 -1.191,434 -0.44,435 0.724,436 -0.133,437 2.241,438 0.275,439 -0.716,440 -0.922,442 -2,443 -0.697,444 0.468,445 -0.466,446 2.073,447 0.013,448 -1,449 -1.288,451 -2.14,452 -0.947,453 0.185,454 -0.885,455 1.737,456 -0.123,457 -1.062,458 -1.455,460 -2.93,461 -1.049,462 9.867,463 0.47,464 0.541,465 0.026,466 27.5,467 1.31,468 13.5,469 0.643,470 14,471 0.667,472 14.965,473 0.713,474 22.533,475 0.593,476 18.487,477 0.88,478 5.603,479 0.267,480 4.528,481 0.216,482 0.118,484 0.334,487 0.826,488 1.453,489 0.784,490 1.114,491 0.699,492 0.97,493 0.698,494 0.969,495 0.854,496 0.848,497 0.386,498 0.85,499 0.955,500 1.161,501 1.152,502 1.164,503 0.956,504 1.19,505 0.68,506 0.858,507 0.994,508 0.933,509 0.696,510 1.004,511 0.534,512 1.204,513 0.864,514 1.172,515 0.444,516 1.09,517 0.993,518 1.084,519 1.032,520 1.094,521 0.87,522 1.065,523 0.974,524 0.919,525 0.92,526 0.953,527 0.89,528 0.925,529 1.357,530 1.003,531 1.254,532 1.099,533 1.722,534 1.169,535 4.5,536 0.04,537 2,538 1.549,539 0.893,540 0.723,541 0.554,542 0.218,543 0.212,544 0.055,545 4095,546 11909,547 2.074,548 44.7,549 3,550 7,551 2,552 2,553 1,554 2,558 1.637,559 1.938,560 3.002,561 -0.291,562 1,563 1,565 1,567 59.179,568 1.557,569 3.697,570 4.787,571 4.965,572 4.965,573 4.965,574 2.488,575 3.821,576 4.357,577 3.161,578 663.8,579 7.499,580 7034.04,581 1,582 1,584 1,585 199.421,586 1.418,587 4.322,588 0.196,589 0.01,590 0.063,591 0.055,592 0.033,593 0.026,594 0.021,595 0.01,596 0.016,597 0.007,598 0.437,599 0.5,600 1,601 1.238,602 93.826,603 -0.064,604 -0.278,605 0.044,606 -0.072,607 -0.063,608 -0.014,609 0.102,610 0.179,611 0.039,612 0.13,613 0.209,614 0.091,615 -0.159,616 -0.129,617 -0.252,618 -0.148,619 -0.169,620 -0.208,621 0.066,622 0.127,623 -0.047,624 0.055,625 -0.042,626 -0.008,627 0.054,628 -0.219,629 0.045,630 -0.147,631 0.078,632 -0.069,633 -0.059,634 -0.084,635 -0.065,636 -0.137,637 -0.008,638 -0.104,639 -0.042,640 0.003,641 0.083,642 0.009,643 0.038,644 0.065,645 -0.049,646 -0.121,647 -0.215,648 -0.149,649 -0.229,650 -0.211,651 2.444,652 3.8,653 0.667,654 17.079,655 1.004,656 1.127,657 1.74,658 3.028,659 0.665,660 3.178,661 3.497,662 3.738,663 4.043,664 4.234,665 4.369,666 4.522,667 4.585,668 4.522,669 4.394,670 5.062,671 0.636,672 283.36,673 3.178,674 4.71,675 5.549,676 6.431,677 7.302,678 8.195,679 9.081,680 9.98,681 10.875,682 11.777,683 7.9,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,724 38,726 16,727 1,728 23,730 40,731 16,733 11,734 3,735 3,739 3,740 4,745 1,751 1,753 12,754 4,756 1,761 1,765 1,768 1,769 1,772 17,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,836 1,840 21,845 1,846 3,862 5.3,864 1,865 1,869 10.833,870 7.05,871 4.583,872 2.189,874 2.818,875 1.417,876 0.971,877 3.799,878 9.568,879 3.481,880 4.119,881 4.707,882 5.355,883 5.809,884 6.205,885 6.656,886 7.038,887 7.165,888 7.342,889 1,890 28,891 7.73,893 3.248,894 7.825,895 14.757,897 12.046,899 2.325,900 48.833,904 188.338,905 91.759,906 20.584,908 67.828,911 91.759,912 256.166,913 20.584,914 8.825,915 6.746,916 46.524,917 117.684,918 21.79,919 25.686,920 141.253,922 188.338,923 112.343,924 67.828,927 188.338,928 67.828,931 37.035,932 58.522,933 16.786,935 188.338,936 88.412,937 91.759,940 188.338,941 18.744,942 76.813,944 84.614,945 188.338,946 88.412,947 91.759,949 0.578,950 0.315,951 0.175,952 0.099,953 16,954 7,955 0.125,956 5,957 1,958 1.143,959 3.344,960 161.378,961 0.143,962 14,963 92.239,968 13.897,969 5.74,970 3.004,971 2.256,972 84.614,973 13.789,974 4.061,978 2.377,979 4.036,980 42.683,981 368.508,982 31.5,987 10.8,991 -0.778,994 38.145,995 42.82,996 0.297,997 0.704,998 0.912,999 0.946,1000 0.946,1001 0.946,1002 4.698,1003 0.962,1004 5.533,1005 2.867,1006 4.174,1007 4.804,1008 2.313,1009 6.333,1010 4.102,1011 5.921,1012 0.618,1013 7.079,1014 2.34,1015 3.761,1016 4.677,1017 2.243,1018 7.209,1019 3.661,1020 7.234,1021 0.479,1022 8.725,1023 1.372,1024 5.746,1025 7.068,1026 3.632,1027 10.327,1028 5.607,1029 8.587,1030 -0.132,1031 10.431,1032 1.084,1033 6.155,1034 7.817,1035 4.112,1036 12.1,1037 5.987,1038 9.972,1039 -0.456,1040 12.179,1041 -0.345,1042 7.617,1043 9.668,1044 5.202,1045 14.746,1046 7.418,1047 11.383,1048 -0.716,1049 13.958,1050 -1.191,1051 8.42,1052 10.841,1053 5.889,1054 16.906,1055 8.194,1056 12.815,1057 -1,1058 15.762,1059 -2,1060 9.682,1061 12.486,1062 6.849,1063 19.395,1064 9.431,1065 3.214,1066 -1.062,1067 17.585,1068 -2.14,1069 10.678,1070 13.86,1071 7.625,1072 21.71,1073 10.401,1074 2.56,1075 11.136,1076 19.425,1077 -2.93,1078 11.867,1079 15.428,1080 8.526,1081 24.147,1082 11.566,1083 2.352,1084 7.567,1085 21.278,1086 4.623,1087 12.954,1088 16.89,1089 9.342,1090 26.521,1091 12.629,1092 2.191,1093 6.746,1094 23.142,1095 3.492,1096 14.12,1097 18.431,1098 10.216,1099 28.94,1100 13.772,1101 2.012,1102 5.967,1103 25.015,1104 3.144,1105 15.248,1106 19.933,1107 11.051,1108 31.337,1109 14.876,1110 1.572,1111 5.197,1112 26.896,1113 2.834,1114 16.409,1115 21.465,1116 11.912,1117 33.75,1118 16.013,1119 1.216,1120 4.618,1121 28.782,1122 2.679,1123 17.557,1124 22.983,1125 12.755,1126 36.155,1127 17.137,1128 4060,1129 7000,1130 15.315,1131 25.256,1132 34.807,1133 34.904,1134 34.805,1135 34.346,1136 34.351,1137 46.839,1138 5.725,1139 97.788,1140 33.085,1141 5.476,1142 5.6,1143 6.377,1144 5.245,1145 5.214,1146 7.623,1147 3.925,1148 18.202,1149 5.129,1150 9.928,1151 1.513,1152 1.518,1153 1.513,1154 1.493,1155 1.494,1156 2.036,1157 0.249,1158 4.252,1159 1.438,1160 4.163,1161 4.199,1162 4.124,1163 4.074,1164 7.474,1165 4.082,1166 3.878,1167 3.945,1168 3.821,1169 3.674,1170 6.351,1171 3.702,1172 3.642,1173 3.683,1174 3.544,1175 3.479,1176 4.981,1177 3.485,1178 3.457,1179 3.495,1180 3.367,1181 3.302,1182 4.872,1183 3.309,1184 3.117,1185 3.179,1186 2.998,1187 2.956,1188 4.302,1189 2.951,1190 2.978,1191 3.049,1192 2.772,1193 2.701,1194 3.878,1195 2.719,1196 2.766,1197 2.849,1198 2.594,1199 2.595,1200 3.716,1201 2.581,1202 2.657,1203 2.74,1204 2.421,1205 2.387,1206 3.549,1207 2.389,1208 0.202,1209 0.157,1210 0.294,1211 0.182,1212 0.14,1213 4.656,1214 0.201,1215 3.6,1216 0.102,1217 6.764,1218 0.484,1219 4.187,1220 0.136,1221 3.214,1222 4.623,1223 2.341,1224 11.136,1225 3.129,1226 1.966,1227 1.943,1228 2.062,1229 2.051,1230 1.25,1231 2.055,1232 1.722,1233 1.667,1234 1.884,1235 1.921,1236 1.141,1237 1.913,1238 1.555,1239 1.5,1240 1.755,1241 1.775,1242 0.953,1243 1.77,1244 1.325,1245 1.273,1246 1.524,1247 1.539,1248 0.63,1249 1.524,1250 1.259,1251 1.203,1252 1.501,1253 1.521,1254 0.55,1255 1.502,1256 1.206,1257 1.138,1258 1.388,1259 1.403,1260 0.373,1261 1.427,1262 0.885,1263 0.825,1264 1.153,1265 1.171,1266 0.228,1267 1.17,1268 0.682,1269 0.609,1270 1.036,1271 0.935,1272 0.124,1273 0.961,1274 3.85,1276 5.165,1277 3.045,1278 6.65,1279 5.352,1280 8.226,1281 7.413,1282 9.859,1284 2.065,1289 8.88,1290 1.348,1300 24.181,1301 59.179,1302 140.486,1303 181.911,1304 188.666,1305 188.666,1306 188.666,1307 29.188,1308 6.75,1309 60.05,1310 60.05,1311 16,1312 12.3,1313 4.087,1314 3.248,1315 31.951,1316 63,1317 61,1318 0.258,1319 149.951,1320 247.68,1321 357.641,1322 6440,1324 14.82,1325 0.706,1326 0.565,1327 14.82,1328 11.86,1329 10.131,1330 0.44,1331 0.3,1332 6.791,1333 9.713,1334 6.6,1335 5.481,1336 10.131,1337 6.892,1338 9.359,1339 0.292,1340 0.164,1341 9.359,1342 5.247,1343 7.259,1344 0.177,1345 0.088,1346 7.259,1347 3.598,1348 6.139,1349 0.11,1350 0.046,1351 6.139,1352 2.589,1353 4.809,1354 0.071,1355 0.026,1356 4.809,1357 1.789,1358 0.39,1359 63.628,1360 0.256,1361 20.593,1362 0.752,1363 110,1364 322.821,1365 120.367,1366 313.705,1367 423.5,1368 292,1369 128,1370 307.765,1371 138.013,1372 313.835,1373 452.11,1374 293,1375 7.377} {0 CHEMBL327426,1 1.517,2 8.909,3 2.141,4 4.582,5 81.864,6 7.676,7 0.261,8 3.736,9 3.833,10 3.3,11 3.308,12 4.965,13 3.288,14 4.245,15 4.403,16 3.65,17 3.676,18 5.508,19 3.636,20 4.478,21 4.627,22 3.774,23 3.834,24 5.713,25 3.789,26 4.651,27 4.825,28 3.714,29 3.85,30 5.911,31 3.786,32 4.642,33 4.834,34 3.689,35 3.8,36 5.975,37 3.73,38 4.567,39 4.769,40 3.686,41 3.687,42 6.025,43 3.629,44 4.517,45 4.756,46 3.386,47 3.471,48 5.949,49 3.384,50 4.136,51 4.393,52 2.742,53 3.106,54 5.223,55 2.963,56 0.058,57 0.503,58 7.185,59 3.805,60 14.18,61 4.54,62 0.217,63 0.805,64 13.723,65 6.21,66 49.964,67 7.938,68 0.23,69 0.978,70 17.553,71 7.731,72 55.542,73 9.455,74 0.468,75 1.092,76 22.945,77 8.656,78 105.768,79 10.475,80 0.527,81 1.062,82 23.522,83 8.719,84 123.992,85 10.941,86 0.514,87 0.994,88 21.803,89 7.962,90 106.673,91 10.465,92 0.677,93 0.9,94 22.815,95 7.058,96 133.193,97 9.475,98 0.345,99 0.622,100 15.598,101 4.948,102 67.741,103 6.682,104 40,105 32,106 0.272,107 0.608,108 0.774,109 0.829,110 0.848,111 0.875,112 3.147,113 0.914,114 -2.86,115 -2.87,116 -2.78,118 43.6,119 2,120 3,134 4,140 2,141 1,143 2,152 2,154 1,163 1,167 1,168 10,169 1,172 7,175 1,177 1,180 10,181 1,186 11,191 1,194 12,195 1,198 8,203 1,206 12,207 1,209 1,210 5,211 1,215 1,218 9,219 2,221 2,222 6,223 1,225 1,227 2,229 6,230 2,233 2,234 5,237 1,239 2,242 4,243 1,247 2,252 1,255 2,256 1,259 2,264 1,267 1,268 1,270 604,271 14.242,272 14.242,273 14.242,274 14.242,275 14.242,276 12.503,277 11.632,278 8.364,279 14.264,280 11.266,281 11.266,282 11.266,283 11.266,284 11.266,285 8.596,286 11.913,287 3.953,288 11.253,289 3.769,290 1.892,291 0.962,292 0.654,293 0.552,294 0.398,295 3.799,298 1,299 1,300 1,301 399,302 3.082,306 154.752,313 1.727,314 36.745,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 196,327 4.648,328 3.847,329 6.91,330 4.295,331 3.277,332 4.174,333 2.341,334 11.392,335 3.333,336 3.971,337 3.596,338 6.016,339 3.6,340 2.6,341 3.468,342 0.68,343 8.397,344 2.602,345 3.762,346 3.401,347 5.791,348 3.347,349 2.322,350 3.141,352 7.292,353 2.39,354 3.629,355 2.868,356 5.301,357 3.316,358 2.303,359 2.807,361 6.737,362 2.306,363 3.517,364 2.519,365 4.656,366 3.141,367 2.134,368 2.682,370 5.135,371 2.125,372 2.898,373 2.146,374 4,375 2.434,376 1.466,377 2.057,379 3.182,380 1.416,381 2.5,382 1.595,383 3.618,384 1.984,385 1,386 1.5,388 2.431,389 0.976,390 2.419,391 1.512,392 3.572,393 1.956,394 0.966,395 1.143,397 2.136,398 0.953,399 2.019,400 1.13,401 3.247,402 1.692,403 0.618,404 0.834,406 1.464,407 0.658,408 1.661,409 1,410 3.033,411 1.444,412 0.421,413 0.486,415 1.019,416 0.427,417 1.159,418 0.832,419 2.626,420 0.895,421 -0.145,422 -0.17,424 -0.334,425 -0.148,426 0.904,427 0.285,428 2,429 0.537,430 -0.471,431 -0.601,433 -1.083,434 -0.471,435 0.5,436 -0.026,437 1.946,438 0.02,439 -1,440 -1.201,442 -2,443 -0.95,444 0.471,445 -0.431,446 1.657,447 -0.025,448 -1,449 -1.479,451 -2.347,452 -0.973,453 0.274,454 -0.626,455 1.555,456 -0.127,457 -1.127,458 -1.5,460 -2.818,461 -1.118,462 10.233,463 0.465,464 0.672,465 0.031,466 26.5,467 1.205,468 13.5,469 0.614,470 13,471 0.591,472 18.395,473 0.836,474 23.967,475 0.615,476 20.179,477 0.917,478 5.417,479 0.246,480 4.996,481 0.227,482 0.228,484 0.391,487 0.641,488 1.126,489 0.762,490 1.045,491 0.615,492 0.953,493 0.483,494 0.975,495 0.696,496 0.951,497 0.48,498 0.881,499 0.902,500 1.154,501 0.973,502 1.157,503 0.937,504 1.097,505 1.302,506 1.044,507 1.231,508 1.091,509 1.362,510 1.135,511 1.104,512 1.015,513 1.066,514 1.029,515 1.184,516 1.044,517 0.77,518 1.134,519 0.868,520 1.109,521 0.795,522 1.033,523 1.047,524 0.867,525 1.007,526 0.863,527 1.011,528 0.913,529 1.173,530 0.877,531 1.2,532 0.907,533 1.123,534 1.028,535 4.5,536 0.054,537 2.889,538 1.938,539 1.778,540 0.938,541 0.611,542 0.299,543 0.078,544 0.066,545 4255,546 14565,547 1.919,548 43.6,549 10,550 2,552 2,553 1,554 2,558 1.649,559 1.737,560 3.101,561 -0.31,562 1,563 1,565 1,567 59.157,568 1.517,569 3.394,570 4.324,571 4.631,572 4.734,573 4.888,574 2.738,575 3.732,576 4.424,577 3.273,578 755.948,579 7.624,580 8172.78,581 1,582 1,584 1,585 206.131,586 1.573,587 4.349,588 0.196,589 0.008,590 0.09,591 0.055,592 0.057,593 0.031,594 0.021,595 0.015,596 0.008,597 0.009,598 0.491,599 0.5,600 1,601 1.322,602 100.209,603 -0.048,604 -0.004,605 0.001,606 0.04,607 -0.052,608 0.031,609 0.138,610 0.089,611 0.151,612 0.091,613 0.126,614 0.122,615 -0.089,616 -0.125,617 -0.1,618 -0.128,619 -0.097,620 -0.119,621 -0.23,622 -0.062,623 -0.275,624 -0.109,625 -0.223,626 -0.184,627 -0.064,628 -0.069,629 -0.086,630 -0.046,631 -0.059,632 -0.069,633 0.206,634 -0.179,635 0.117,636 -0.139,637 0.194,638 -0.053,639 0.102,640 0.059,641 0.062,642 0.057,643 0.114,644 0.052,645 -0.182,646 0.047,647 -0.152,648 0.022,649 -0.177,650 -0.041,651 2.65,652 5.505,653 0.545,654 18.446,655 1.012,656 1.119,657 1.63,658 2.656,659 0.664,660 3.178,661 3.497,662 3.738,663 3.932,664 4.143,665 4.143,666 4.078,667 4.078,668 4.078,669 3.892,670 5.319,671 0.643,672 299.35,673 3.178,674 4.71,675 5.549,676 6.422,677 7.288,678 8.17,679 9.049,680 9.937,681 10.823,682 11.715,683 2.6,693 1,699 4,700 1,704 1,706 6,724 39,726 11,728 23,730 40,731 17,733 5,736 6,739 2,740 2,745 2,751 3,753 12,754 5,756 5,761 3,765 7,768 1,769 1,772 17,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,814 2,818 1,823 4,830 1,832 2,836 2,840 22,845 1,846 3,862 10.3,864 1,865 3,869 12.667,870 7.733,871 4.917,872 2.322,874 1.849,875 1.289,876 0.917,877 4.794,878 8.251,879 3.466,880 4.016,881 4.508,882 4.925,883 5.375,884 5.46,885 5.596,886 5.844,887 6.116,888 6.193,889 1,890 35,891 8.201,893 3.519,894 8.22,895 15.008,897 11.998,899 2.72,900 59.833,904 188.338,905 89.406,906 16.786,908 118.118,911 89.406,912 306.456,913 16.786,914 17.65,915 7.604,916 18.952,917 169.623,918 34.023,920 164.795,922 188.338,923 106.192,924 118.118,927 188.338,928 118.118,931 43.349,932 46.057,933 16.786,935 188.338,936 134.904,937 89.406,940 188.338,941 34.708,942 54.698,944 134.904,945 188.338,946 134.904,947 89.406,949 0.584,950 0.338,951 0.171,952 0.098,953 14,954 8,955 0.125,956 5,958 1,959 3.256,960 165.952,962 12,963 98.107,968 16.002,969 6.591,970 3.461,972 134.904,973 6.941,974 4.006,978 0.861,980 42.683,981 412.647,982 31,987 35.609,991 0.159,994 39.48,995 43.658,996 0.287,997 0.642,998 0.818,999 0.876,1000 0.896,1001 0.925,1002 4.705,1003 0.966,1004 5.557,1005 2.431,1006 4.174,1007 4.7,1008 2.35,1009 6.385,1010 4.186,1011 5.93,1012 0.618,1013 7.143,1014 2.136,1015 3.892,1016 4.59,1017 2.243,1018 7.365,1019 3.935,1020 7.255,1021 0.421,1022 8.834,1023 1.464,1024 5.784,1025 6.841,1026 3.64,1027 10.496,1028 5.818,1029 8.615,1030 -0.145,1031 10.586,1032 1.019,1033 6.293,1034 7.497,1035 4.112,1036 12.277,1037 6.369,1038 10.006,1039 -0.471,1040 12.377,1041 -0.334,1042 7.708,1043 9.269,1044 5.203,1045 14.978,1046 7.776,1047 11.419,1048 -1,1049 14.194,1050 -1.083,1051 8.574,1052 10.282,1053 5.889,1054 17.103,1055 8.681,1056 12.852,1057 -1,1058 16.031,1059 -2,1060 9.822,1061 11.862,1062 6.849,1063 19.651,1064 9.931,1065 3.277,1066 -1.127,1067 17.884,1068 -2.347,1069 10.858,1070 13.063,1071 7.625,1072 21.937,1073 10.999,1074 2.6,1075 11.392,1076 19.748,1077 -2.818,1078 12.052,1079 14.557,1080 8.526,1081 24.422,1082 12.201,1083 2.322,1084 8.397,1085 21.623,1086 4.174,1087 13.167,1088 15.861,1089 9.342,1090 26.784,1091 13.342,1092 2.303,1093 7.292,1094 23.505,1095 3.468,1096 14.346,1097 17.315,1098 10.216,1099 29.241,1100 14.535,1101 2.134,1102 6.737,1103 25.395,1104 3.141,1105 15.499,1106 18.675,1107 11.051,1108 31.64,1109 15.709,1110 1.466,1111 5.135,1112 27.291,1113 2.807,1114 16.677,1115 20.111,1116 11.912,1117 34.084,1118 16.904,1119 1,1120 3.182,1121 29.192,1122 2.682,1123 17.846,1124 21.501,1125 12.755,1126 36.5,1127 18.093,1128 4412,1129 8228,1130 14.334,1131 25.915,1132 35.092,1133 37.282,1134 36.637,1135 34.245,1136 34.216,1137 44.585,1138 6.042,1139 98.367,1140 34.375,1141 5.532,1142 5.847,1143 6.712,1144 5.331,1145 5.277,1146 7.174,1147 3.925,1148 19.392,1149 5.333,1150 13.75,1151 1.526,1152 1.621,1153 1.593,1154 1.489,1155 1.488,1156 1.938,1157 0.263,1158 4.277,1159 1.495,1160 4.01,1161 4.028,1162 3.967,1163 3.932,1164 7.474,1165 3.937,1166 3.831,1167 3.867,1168 3.77,1169 3.733,1170 7.436,1171 3.736,1172 3.594,1173 3.622,1174 3.505,1175 3.43,1176 7.418,1177 3.435,1178 3.354,1179 3.41,1180 3.226,1181 3.198,1182 6.351,1183 3.197,1184 3.169,1185 3.207,1186 3.097,1187 2.982,1188 4.896,1189 2.989,1190 3.001,1191 3.066,1192 2.826,1193 2.756,1194 4.353,1195 2.775,1196 2.861,1197 2.908,1198 2.66,1199 2.634,1200 4.073,1201 2.625,1202 2.796,1203 2.84,1204 2.615,1205 2.519,1206 3.832,1207 2.534,1208 0.202,1209 0.167,1210 0.3,1211 0.187,1212 0.142,1213 4.648,1214 0.181,1215 3.847,1216 0.102,1217 6.91,1218 0.495,1219 4.295,1220 0.145,1221 3.277,1222 4.174,1223 2.341,1224 11.392,1225 3.333,1226 1.961,1227 1.945,1228 2.059,1229 2.059,1230 1.286,1231 2.058,1232 1.81,1233 1.777,1234 1.939,1235 1.935,1236 1.123,1237 1.938,1238 1.547,1239 1.509,1240 1.761,1241 1.745,1242 0.902,1243 1.742,1244 1.346,1245 1.291,1246 1.644,1247 1.552,1248 0.748,1249 1.584,1250 1.133,1251 1.077,1252 1.443,1253 1.35,1254 0.571,1255 1.378,1256 0.943,1257 0.886,1258 1.239,1259 1.264,1260 0.322,1261 1.257,1262 0.805,1263 0.758,1264 1.059,1265 1.086,1266 0.119,1267 1.074,1268 0.704,1269 0.625,1270 0.988,1271 1.004,1273 0.998,1274 3.85,1276 5.165,1278 6.681,1280 8.298,1282 9.974,1284 3.215,1289 8.758,1290 0.286,1300 25.095,1301 59.157,1302 132.356,1303 168.621,1304 180.621,1305 184.621,1306 190.621,1307 67.286,1308 6.402,1309 84.33,1310 84.33,1311 12,1312 12.244,1313 3.585,1314 3.17,1315 42.062,1316 70,1317 68,1318 0.31,1319 158.414,1320 292.08,1321 378.289,1322 4016,1324 16.276,1325 0.74,1326 0.57,1327 16.276,1328 12.55,1329 10.414,1330 0.453,1331 0.305,1332 6.936,1333 10.063,1334 6.676,1335 5.555,1336 10.414,1337 7.011,1338 9.475,1339 0.296,1340 0.166,1341 9.475,1342 5.297,1343 7.768,1344 0.189,1345 0.093,1346 7.768,1347 3.827,1348 5.806,1349 0.116,1350 0.05,1351 5.806,1352 2.52,1353 4.575,1354 0.074,1355 0.027,1356 4.575,1357 1.702,1358 0.472,1359 65.291,1360 0.264,1361 21.507,1362 0.894,1363 110,1364 383.001,1365 120.023,1366 365.584,1367 472.45,1368 336,1369 128,1370 320.052,1371 136.808,1372 325.531,1373 468.88,1374 304,1375 6.013} {0 CHEMBL327696,1 1.423,2 9.5,3 4.334,4 18.784,5 116.999,6 7.575,7 0.375,8 4.036,9 4.134,10 3.601,11 3.654,12 5.244,13 3.621,14 4.533,15 4.687,16 3.972,17 4.036,18 5.752,19 3.989,20 4.761,21 4.895,22 4.147,23 4.234,24 5.986,25 4.182,26 5.018,27 5.19,28 4.159,29 4.323,30 6.232,31 4.253,32 5.05,33 5.229,34 4.243,35 4.384,36 6.317,37 4.31,38 5.106,39 5.303,40 4.239,41 4.4,42 6.301,43 4.316,44 5.105,45 5.329,46 4.082,47 4.312,48 6.245,49 4.202,50 4.958,51 5.199,52 3.786,53 4.105,54 6.036,55 3.97,56 0.027,57 0.651,58 9.801,59 5.117,60 11.627,61 6.26,62 0.179,63 1.063,64 18.117,65 8.44,66 44.7,67 10.863,68 0.063,69 1.319,70 21.997,71 10.644,72 31.419,73 13.228,74 0.447,75 1.632,76 32.521,77 13.18,78 112.491,79 15.969,80 0.4,81 1.716,82 33.032,83 14.005,84 107.117,85 17.741,86 0.345,87 1.844,88 35.488,89 14.684,90 82.41,91 19.05,92 0.389,93 1.834,94 37.021,95 14.656,96 92.21,97 19.458,98 0.36,99 1.566,100 33,101 12.694,102 83.451,103 16.942,104 68,105 46,106 0.235,107 0.563,108 0.698,109 0.777,110 0.835,111 0.866,112 3.441,113 0.901,114 -4.34,115 -4.27,116 -4.03,118 47.2,119 4,121 1,133 1,134 5,140 6,141 3,143 2,152 2,154 1,163 1,167 1,168 19,169 1,172 7,175 1,177 1,180 23,181 2,186 12,191 2,194 27,195 1,198 9,203 1,206 28,207 2,209 1,210 10,215 2,218 27,219 2,221 1,222 12,227 2,229 24,230 2,233 1,234 11,239 2,242 19,243 2,247 7,252 2,255 12,256 2,259 5,260 2,264 2,267 7,268 3,270 1600,271 19.518,272 19.518,273 19.518,274 19.518,275 19.518,276 16.88,277 14.858,278 11.228,279 19.54,280 15.664,281 15.664,282 15.664,283 15.664,284 15.664,285 11.709,286 15.31,287 5.256,288 15.65,289 4.304,290 2.311,291 1.496,292 1.015,293 0.666,294 0.472,295 4.113,299 1,300 1,301 588,302 3.808,306 313.54,313 1.333,314 41.276,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 64.5,326 285,327 4.7,328 3.906,329 7.13,330 4.382,331 3.37,332 4.22,333 1.437,334 12.329,335 3.409,336 4.283,337 3.593,338 6.522,339 3.958,340 2.951,341 3.83,342 1.36,343 10.001,344 2.969,345 4.108,346 3.49,347 5.836,348 3.725,349 2.723,350 3.553,352 7.994,353 2.72,354 3.82,355 3.306,356 5.791,357 3.407,358 2.406,359 3.267,361 7.292,362 2.409,363 3.74,364 2.604,365 5.738,366 3.344,367 2.303,368 3.113,370 7.276,371 2.383,372 3.617,373 2.472,374 5.408,375 3.236,376 2.238,377 2.809,379 6.811,380 2.23,381 3.327,382 2.212,383 4.997,384 2.936,385 1.938,386 2.566,388 5.655,389 1.93,390 2.916,391 2.081,392 4.178,393 2.444,394 1.467,395 2.069,397 3.352,398 1.43,399 2.718,400 1.835,401 3.625,402 2.21,403 1.214,404 1.772,406 2.702,407 1.205,408 2.569,409 1.528,410 3.618,411 2.007,412 1,413 1.5,415 2.272,416 0.992,417 2.5,418 1.226,419 3.556,420 1.956,421 1,422 1.438,424 2.136,425 0.954,426 2.389,427 1.184,428 3.428,429 1.781,430 0.759,431 1.033,433 2.084,434 0.768,435 1.936,436 1.085,437 3.247,438 1.682,439 0.618,440 0.787,442 1.464,443 0.656,444 1.482,445 1,446 3.22,447 1.264,448 0.228,449 0.271,451 0.534,452 0.235,453 1.08,454 0.439,455 2.427,456 0.78,457 -0.223,458 -0.271,460 -0.555,461 -0.223,462 14.233,463 0.474,464 0.954,465 0.032,466 38.5,467 1.283,468 21,469 0.7,470 17.5,471 0.583,472 27.823,473 0.927,474 31.367,475 0.592,476 33.893,477 1.13,478 7.889,479 0.263,480 6.329,481 0.211,482 0.234,484 0.422,487 0.625,488 1.029,489 0.773,490 0.971,491 0.629,492 0.911,493 0.477,494 0.869,495 0.674,496 0.847,497 0.476,498 0.799,499 0.732,500 1.187,501 0.921,502 1.19,503 0.758,504 1.106,505 1.363,506 0.956,507 1.155,508 0.971,509 1.41,510 1.02,511 0.916,512 1.03,513 0.972,514 1.011,515 0.95,516 1.006,517 0.853,518 1.076,519 0.968,520 1.044,521 0.847,522 1.029,523 0.839,524 1.062,525 1.011,526 1.052,527 0.845,528 1.058,529 0.923,530 1.015,531 1.081,532 1.038,533 0.905,534 1.074,535 6,536 0.19,537 4,538 2.813,539 2.4,540 1.326,541 1.099,542 0.753,543 0.493,544 0.331,545 9378,546 28640,547 1.955,548 43.4,549 13,550 7,552 2,553 1,558 1.739,559 1.765,560 3.176,561 -0.415,563 1,567 75.441,568 1.423,569 3.416,570 4.232,571 4.713,572 5.062,573 5.256,574 2.634,575 4.057,576 4.877,577 3.367,578 1464.56,579 8.567,580 19575.2,582 1,584 1,585 303.58,586 1.566,587 4.796,588 0.188,589 0.009,590 0.087,591 0.053,592 0.046,593 0.023,594 0.02,595 0.016,596 0.015,597 0.012,598 0.469,599 0.17,600 1,601 1.163,602 150.158,603 -0.037,604 0.02,605 0.012,606 0.049,607 -0.073,608 0.039,609 0.141,610 0.161,611 0.185,612 0.163,613 0.128,614 0.181,615 -0.014,616 -0.174,617 -0.072,618 -0.182,619 -0.005,620 -0.144,621 -0.216,622 0.029,623 -0.192,624 0.012,625 -0.211,626 -0.07,627 -0.009,628 -0.045,629 -0.035,630 -0.017,631 0.016,632 -0.03,633 -0.018,634 -0.076,635 -0.023,636 -0.06,637 -0.016,638 -0.047,639 -0.013,640 -0.07,641 -0.034,642 -0.075,643 -0.023,644 -0.061,645 -0.073,646 -0.038,647 -0.079,648 -0.062,649 -0.074,650 -0.067,651 2.66,652 6.254,653 0.6,654 25.067,655 1.002,656 1.111,657 3.109,658 9.668,659 0.683,660 3.497,661 3.85,662 4.143,663 4.382,664 4.644,665 4.718,666 4.82,667 4.92,668 4.949,669 4.86,670 5.895,671 0.654,672 401.49,673 3.497,674 5.056,675 5.922,676 6.815,677 7.705,678 8.607,679 9.508,680 10.416,681 11.322,682 12.234,683 1.9,693 1,699 8,700 1,704 3,706 12,724 53,726 18,727 1,728 32,730 55,731 25,733 11,734 2,735 4,736 9,739 3,740 3,745 4,753 20,754 5,755 1,756 6,761 3,763 1,765 8,769 1,772 23,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 3,814 2,818 1,822 1,823 5,830 1,832 3,836 4,840 30,845 1,850 1,862 7.5,864 1,865 3,869 17,870 10.983,871 6.611,872 3.107,874 2.534,875 1.353,876 0.943,877 6.053,878 9.704,879 3.807,880 4.407,881 4.97,882 5.465,883 6.006,884 6.246,885 6.633,886 7.037,887 7.36,888 7.547,889 1,890 53,891 11.165,893 4.819,894 8.022,895 20.698,897 16.796,899 2.522,900 75.667,902 1,903 1,904 258.964,905 156.391,906 16.786,908 118.118,911 156.391,912 377.082,913 16.786,914 35.301,916 66.334,917 169.623,918 43.579,920 235.422,922 258.964,923 173.176,924 118.118,927 258.964,928 118.118,931 53.396,932 93.519,933 26.262,935 258.964,936 134.904,937 156.391,940 258.964,941 36.661,942 119.729,944 134.904,945 258.964,946 134.904,947 156.391,949 0.593,950 0.36,951 0.181,952 0.103,953 21,954 12,955 0.091,956 5,958 1,959 3.773,960 276.775,962 18,963 147.207,968 21.297,969 8.527,970 4.153,972 134.904,973 14.362,974 4.203,978 2.284,980 42.683,981 550.259,982 44,987 37.25,989 1.58,991 0.722,994 53.131,995 58.903,996 0.249,997 0.596,998 0.739,999 0.823,1000 0.884,1001 0.918,1002 5.063,1003 1.467,1004 5.943,1005 5.655,1006 4.533,1007 5.094,1008 2.067,1009 6.81,1010 4.541,1011 6.305,1012 1.214,1013 7.552,1014 3.352,1015 4.29,1016 4.966,1017 1.06,1018 7.849,1019 4.32,1020 7.639,1021 1,1022 9.265,1023 2.702,1024 6.184,1025 7.275,1026 2.593,1027 11.005,1028 6.207,1029 9.007,1030 1,1031 11.036,1032 2.272,1033 6.735,1034 7.906,1035 1.679,1036 12.863,1037 6.784,1038 10.404,1039 0.759,1040 12.843,1041 2.136,1042 8.149,1043 9.719,1044 3.223,1045 15.584,1046 8.193,1047 11.823,1048 0.618,1049 14.676,1050 2.084,1051 9.044,1052 10.705,1053 2.248,1054 17.8,1055 9.112,1056 13.259,1057 0.228,1058 16.529,1059 1.464,1060 10.295,1061 12.308,1062 3.894,1063 20.376,1064 10.363,1065 3.37,1066 -0.223,1067 18.397,1068 0.534,1069 11.349,1070 13.484,1071 2.825,1072 22.753,1073 11.437,1074 2.951,1075 12.329,1076 20.277,1077 -0.555,1078 12.547,1079 14.988,1080 4.581,1081 25.28,1082 12.641,1083 2.723,1084 10.001,1085 22.168,1086 4.22,1087 13.674,1088 16.27,1089 3.415,1090 27.729,1091 13.785,1092 2.406,1093 7.994,1094 24.068,1095 3.83,1096 14.861,1097 17.726,1098 5.277,1099 30.239,1100 14.981,1101 2.303,1102 7.292,1103 25.976,1104 3.553,1105 16.024,1106 19.069,1107 4.015,1108 32.72,1109 16.159,1110 2.238,1111 7.276,1112 27.891,1113 3.267,1114 17.212,1115 20.504,1116 5.977,1117 35.227,1118 17.359,1119 1.938,1120 6.811,1121 29.812,1122 3.113,1123 18.394,1124 21.881,1125 4.622,1126 37.722,1127 18.555,1128 9468,1129 16622,1130 20.115,1131 36.199,1132 49.71,1133 51.904,1134 52.086,1135 48.489,1136 48.428,1137 64.456,1138 5.593,1139 143.801,1140 48.582,1141 5.582,1142 5.906,1143 6.932,1144 5.418,1145 5.37,1146 7.22,1147 2.873,1148 20.329,1149 5.409,1150 19.874,1151 1.553,1152 1.622,1153 1.628,1154 1.515,1155 1.513,1156 2.014,1157 0.175,1158 4.494,1159 1.518,1160 4.063,1161 4.082,1162 4.02,1163 4.006,1164 7.475,1165 4.006,1166 3.887,1167 3.904,1168 3.839,1169 3.82,1170 7.436,1171 3.821,1172 3.81,1173 3.847,1174 3.75,1175 3.714,1176 7.418,1177 3.717,1178 3.618,1179 3.641,1180 3.549,1181 3.491,1182 6.351,1183 3.496,1184 3.397,1185 3.458,1186 3.265,1187 3.291,1188 4.908,1189 3.277,1190 3.202,1191 3.249,1192 3.115,1193 3.028,1194 4.734,1195 3.031,1196 3.064,1197 3.146,1198 2.933,1199 2.888,1200 4.367,1201 2.875,1202 3.013,1203 3.04,1204 2.856,1205 2.765,1206 4.201,1207 2.771,1208 0.147,1209 0.122,1210 0.223,1211 0.137,1212 0.105,1213 4.7,1214 0.132,1215 3.906,1216 0.045,1217 7.13,1218 0.385,1219 4.382,1220 0.107,1221 3.37,1222 4.22,1223 1.437,1224 12.329,1225 3.409,1226 2.02,1227 2.003,1228 2.106,1229 2.093,1230 1.319,1231 2.097,1232 1.874,1233 1.857,1234 1.983,1235 1.966,1236 1.113,1237 1.97,1238 1.79,1239 1.757,1240 1.914,1241 1.913,1242 0.995,1243 1.915,1244 1.579,1245 1.549,1246 1.767,1247 1.74,1248 0.836,1249 1.743,1250 1.419,1251 1.362,1252 1.692,1253 1.585,1254 0.794,1255 1.625,1256 1.176,1257 1.119,1258 1.539,1259 1.411,1260 0.599,1261 1.454,1262 1.091,1263 1.006,1264 1.391,1265 1.298,1266 0.538,1267 1.334,1268 0.919,1269 0.851,1270 1.253,1271 1.268,1272 0.31,1273 1.236,1274 4.174,1276 5.517,1278 7.064,1280 8.705,1282 10.4,1284 6.57,1289 9.185,1294 -0.489,1300 34.675,1301 75.441,1302 181.07,1303 224.296,1304 249.805,1305 268.296,1306 278.56,1307 87.596,1308 7.169,1309 84.33,1310 84.33,1311 18,1312 12.749,1313 4.248,1314 3.7,1315 54.668,1316 99,1317 120,1318 0.259,1319 216.049,1320 396.66,1321 518.92,1322 10060,1324 21.999,1325 0.733,1326 0.58,1327 21.999,1328 17.393,1329 14.218,1330 0.444,1331 0.3,1332 9.537,1333 13.874,1334 9.097,1335 7.639,1336 14.218,1337 9.611,1338 13.098,1339 0.285,1340 0.162,1341 13.098,1342 7.469,1343 11.381,1344 0.184,1345 0.089,1346 11.381,1347 5.504,1348 8.544,1349 0.108,1350 0.047,1351 8.544,1352 3.677,1353 6.992,1354 0.068,1355 0.025,1356 6.992,1357 2.548,1358 0.391,1359 88.118,1360 0.223,1361 27.476,1362 0.767,1363 156,1364 475.001,1365 166.023,1366 463.656,1367 616.08,1368 428,1369 186,1370 434.052,1371 195.472,1372 447.863,1373 650.58,1374 418,1375 6.284} {0 CHEMBL327992,1 1.454,2 30.698,3 8.571,4 73.462,5 238.871,6 7.238,7 0.353,8 4.841,9 4.941,10 4.373,11 4.383,12 5.944,13 4.359,14 5.411,15 5.558,16 4.691,17 4.763,18 6.468,19 4.71,20 5.709,21 5.913,22 4.784,23 4.918,24 6.683,25 4.839,26 5.811,27 6.025,28 4.762,29 4.909,30 6.835,31 4.83,32 5.758,33 5.97,34 4.746,35 4.935,36 6.713,37 4.844,38 5.825,39 6.056,40 4.742,41 4.982,42 6.757,43 4.869,44 5.819,45 6.054,46 4.71,47 4.967,48 6.804,49 4.847,50 5.748,51 5.983,52 4.647,53 4.916,54 6.698,55 4.795,56 0.036,57 1.525,58 24.485,59 11.94,60 28.379,61 14.78,62 0.791,63 2.488,64 48.075,65 19.955,66 79.22,67 25.172,68 0.584,69 3.228,70 68.166,71 26.607,72 112.957,73 34.957,74 1.356,75 3.399,76 79.635,77 27.438,78 183.646,79 35.447,80 0.886,81 3.347,82 73.222,83 27.336,84 139.591,85 35.855,86 1.033,87 3.575,88 79.166,89 29.719,90 155.199,91 40.012,92 1.233,93 3.536,94 79.334,95 29.527,96 178.562,97 39.937,98 0.733,99 3.358,100 72.645,101 27.808,102 131.415,103 37.787,104 30,105 88,106 0.203,107 0.502,108 0.687,109 0.782,110 0.805,111 0.815,112 4.16,113 0.959,114 -5.49,115 -5.36,116 -5.01,118 43.2,120 10,121 2,124 4,126 2,127 2,133 4,140 14,141 6,142 1,143 2,154 4,168 31,171 4,172 20,177 2,180 29,186 25,191 2,194 19,197 1,198 30,201 1,203 2,206 17,210 22,215 1,218 26,221 1,222 15,225 1,227 2,229 35,233 5,234 14,239 3,242 41,247 3,252 3,255 36,258 10,259 12,264 2,267 29,270 13173,271 43.586,272 43.586,273 43.586,274 43.586,275 43.586,276 39.67,277 44.718,278 26.823,279 44.107,280 33.51,281 33.51,282 33.51,283 33.51,284 33.51,285 27.579,286 44.703,287 12.7,288 34.342,289 5.428,290 3.29,291 1.965,292 1.284,293 1.119,294 1.051,295 4.868,301 4181,302 5.701,306 1625.44,313 4.342,314 75.415,317 0.25,318 0.33,319 0.5,320 0.8,321 1,322 0.33,324 0.46,325 136.5,326 1934,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.443,334 10.786,335 3.041,336 4.237,337 4.057,338 6.543,339 4.055,340 3.084,341 3.738,342 2.443,343 10.361,344 2.991,345 4.156,346 3.683,347 6.129,348 3.803,349 2.809,350 3.73,351 2.035,352 8.996,353 2.793,354 4.109,355 3.683,356 6.096,357 3.763,358 2.766,359 3.576,360 2.035,361 8.887,362 2.755,363 3.841,364 3.606,365 5.659,366 3.459,367 2.48,368 3.06,369 1.902,370 7.395,371 2.426,372 3.807,373 3.585,374 5.299,375 3.377,376 2.386,377 3.047,378 1.902,379 6.772,380 2.365,381 3.666,382 3.197,383 5.293,384 3.362,385 2.385,386 2.837,387 0.869,388 6.75,389 2.318,390 3.664,391 3.113,392 5.238,393 3.357,394 2.38,395 2.836,396 0.869,397 6.375,398 2.305,399 3.599,400 2.629,401 5.035,402 3.315,403 2.323,404 2.728,405 0.286,406 6.093,407 2.29,408 3.506,409 2.477,410 5.035,411 3.21,412 2.224,413 2.674,414 0.286,415 6.091,416 2.191,417 3.15,418 2.43,419 4.565,420 2.834,421 1.844,422 2.216,423 0.22,424 4.538,425 1.822,426 3.143,427 2.373,428 4.401,429 2.711,430 1.734,431 2.213,432 0.22,433 4.268,434 1.69,435 3.047,436 2.164,437 4.351,438 2.669,439 1.69,440 2.026,442 4.077,443 1.65,444 3.043,445 2.07,446 4.101,447 2.508,448 1.546,449 1.95,451 3.717,452 1.484,453 2.871,454 2.036,455 3.872,456 2.472,457 1.518,458 1.91,460 3.614,461 1.445,462 29.7,463 0.471,464 1.019,465 0.016,466 74.25,467 1.179,468 35.5,469 0.563,470 38.75,471 0.615,472 71.274,473 1.131,474 68.7,475 0.582,476 68.785,477 1.092,478 14.426,479 0.229,480 16.485,481 0.262,482 0.061,484 0.253,487 0.791,488 1.201,489 0.809,490 1.158,491 0.608,492 1.016,493 0.998,494 1.108,495 1.031,496 1.124,497 0.606,498 1.093,499 1.035,500 1.112,501 0.96,502 1.112,503 0.774,504 1.041,505 1.507,506 0.916,507 1.114,508 0.924,509 1.13,510 0.949,511 1.209,512 0.998,513 1.059,514 1.013,515 0.967,516 1.014,517 0.978,518 0.956,519 0.999,520 0.989,521 0.828,522 0.999,523 0.949,524 0.9,525 1,526 0.944,527 0.859,528 0.981,529 0.897,530 1.04,531 0.999,532 1.048,533 0.958,534 1.046,535 9,536 0.38,537 6,538 2.688,539 2.324,540 2.056,541 1.17,542 0.549,543 0.635,544 0.486,545 132968,546 354112,547 2.085,548 46.6,549 12,550 28,551 2,552 2,553 1,554 4,555 4,556 2,558 1.893,559 2,560 4.774,561 -0.47,567 171.599,568 1.454,569 3.593,570 4.918,571 5.599,572 5.764,573 5.832,574 4.133,575 5.66,576 5.957,577 5.057,578 9875.64,579 10.594,580 305036,585 812.152,586 1.159,587 5.931,588 0.132,589 0.005,590 0.068,591 0.029,592 0.026,593 0.023,594 0.013,595 0.006,596 0.008,597 0.006,598 0.317,599 0.17,600 0.38,601 0.543,602 428.637,603 -0.019,604 -0.07,605 0.05,606 -0.046,607 0.008,608 0.005,609 0.08,610 -0.059,611 -0.085,612 -0.075,613 0.037,614 -0.103,615 -0.046,616 -0.124,617 0.016,618 -0.096,619 -0.004,620 -0.04,621 -0.153,622 0.043,623 -0.068,624 0.045,625 -0.084,626 0.009,627 -0.128,628 -0.018,629 -0.062,630 -0.014,631 -0.081,632 -0.025,633 -0.031,634 0.011,635 -0.009,636 0.009,637 -0.023,638 0.005,639 0.006,640 0.062,641 -0.005,642 0.051,643 0.011,644 0.023,645 -0.053,646 -0.067,647 -0.024,648 -0.043,649 -0.083,650 -0.032,651 1.961,652 5.338,653 0.571,654 132.065,655 1.002,656 1.12,657 4.255,658 18.107,659 0.66,660 4.234,661 4.489,662 4.727,663 4.934,664 5.176,665 5.252,666 5.384,667 5.468,668 5.587,669 5.673,670 17.686,671 0.629,672 854.09,673 4.234,674 5.746,675 6.569,676 7.412,677 8.255,678 9.108,679 9.963,680 10.825,681 11.687,682 12.555,683 2.5,692 2,693 1,699 16,700 1,704 7,706 24,707 2,721 1,724 118,726 30,727 3,728 68,730 123,731 51,733 23,734 6,735 12,739 6,740 6,748 2,749 2,751 12,752 2,753 29,754 20,755 2,756 4,761 2,763 4,765 2,772 55,773 12,774 1,775 12,779 3,784 1,785 9,795 1,802 6,819 2,822 4,831 4,832 6,840 63,845 1,846 14,848 6,850 6,853 2,858 2,860 2,862 7.6,864 1,865 2,866 4,867 2,869 31.5,870 20.55,871 14.444,872 7.415,874 3.382,875 1.372,876 0.936,877 18.941,878 12.479,879 4.489,880 4.927,881 5.394,882 5.822,883 6.293,884 6.402,885 6.69,886 6.823,887 7.15,888 7.51,889 0.95,890 94,891 23.458,893 9.89,894 7.802,895 44.771,897 36.491,899 2.302,900 145,904 635.64,905 299.801,906 78.904,908 158.973,911 299.801,912 794.612,913 78.904,915 43.715,916 171.292,917 224.887,918 121.327,919 23.542,920 588.555,922 635.64,923 378.705,924 158.973,927 565.013,928 185.6,929 44,930 0.719,931 123.928,932 199.367,933 54.691,935 635.64,936 237.877,937 299.801,940 636.359,941 77.211,942 188.667,943 33.203,944 237.877,945 635.64,946 237.877,947 299.801,949 0.559,950 0.322,951 0.169,952 0.093,953 33,954 15,955 0.187,956 23,958 1,959 7.21,960 649.127,962 36,963 365.814,968 46.857,969 25.467,970 14.724,972 237.877,973 28.87,974 4.282,978 4.603,980 42.683,981 1173.32,982 88,987 24.664,989 8.041,991 -0.471,994 118.225,995 132.175,996 0.211,997 0.522,998 0.715,999 0.813,1000 0.837,1001 0.847,1002 5.714,1003 2.38,1004 6.503,1005 6.75,1006 5.176,1007 5.617,1008 3.98,1009 7.241,1010 5.128,1011 6.86,1012 2.323,1013 8.011,1014 6.375,1015 4.511,1016 5.047,1017 3.173,1018 8.026,1019 4.465,1020 8.115,1021 2.224,1022 9.625,1023 6.093,1024 6.691,1025 7.598,1026 5.299,1027 11.126,1028 6.601,1029 9.399,1030 1.844,1031 11.305,1032 6.091,1033 6.919,1034 7.893,1035 5.171,1036 12.82,1037 6.822,1038 10.717,1039 1.734,1040 13.032,1041 4.538,1042 8.483,1043 9.864,1044 6.785,1045 15.416,1046 8.351,1047 12.056,1048 1.69,1049 14.791,1050 4.268,1051 9.149,1052 10.583,1053 6.996,1054 17.482,1055 8.999,1056 13.413,1057 1.546,1058 16.574,1059 4.077,1060 10.449,1061 12.284,1062 8.358,1063 19.912,1064 10.268,1065 3.139,1066 1.518,1067 18.374,1068 3.717,1069 11.339,1070 13.238,1071 8.779,1072 22.137,1073 11.134,1074 3.084,1075 10.786,1076 20.189,1077 3.614,1078 12.523,1079 14.792,1080 9.991,1081 24.511,1082 12.289,1083 2.809,1084 10.361,1085 22.014,1086 3.856,1087 13.528,1088 15.885,1089 10.554,1090 26.806,1091 13.264,1092 2.766,1093 8.996,1094 23.849,1095 3.738,1096 14.666,1097 17.354,1098 11.666,1099 29.163,1100 14.373,1101 2.48,1102 8.887,1103 25.69,1104 3.73,1105 15.728,1106 18.533,1107 12.33,1108 31.49,1109 15.403,1110 2.386,1111 7.395,1112 27.538,1113 3.576,1114 16.85,1115 19.949,1116 13.374,1117 33.844,1118 16.494,1119 2.385,1120 6.772,1121 29.391,1122 3.06,1123 17.941,1124 21.182,1125 14.107,1126 36.186,1127 17.553,1128 124130,1129 202847,1130 46.285,1131 77.904,1132 101.007,1133 105.191,1134 100.019,1135 97.498,1136 97.579,1137 121.544,1138 31.017,1139 260.732,1140 95.05,1141 5.334,1142 6.057,1143 6.573,1144 5.181,1145 5.139,1146 6.856,1147 4.477,1148 17.864,1149 5.041,1150 28.127,1151 1.485,1152 1.547,1153 1.471,1154 1.434,1155 1.435,1156 1.787,1157 0.456,1158 3.834,1159 1.398,1160 4.046,1161 4.07,1162 3.98,1163 3.949,1164 7.434,1165 3.952,1166 3.969,1167 3.99,1168 3.911,1169 3.881,1170 7.43,1171 3.884,1172 3.894,1173 3.919,1174 3.839,1175 3.84,1176 6.823,1177 3.836,1178 3.88,1179 3.912,1180 3.821,1181 3.806,1182 6.818,1183 3.805,1184 3.803,1185 3.845,1186 3.692,1187 3.673,1188 6.469,1189 3.667,1190 3.762,1191 3.803,1192 3.659,1193 3.647,1194 4.947,1195 3.641,1196 3.725,1197 3.778,1198 3.599,1199 3.604,1200 4.864,1201 3.591,1202 3.644,1203 3.674,1204 3.551,1205 3.465,1206 4.802,1207 3.475,1208 0.064,1209 0.06,1210 0.098,1211 0.06,1212 0.046,1213 4.334,1214 0.057,1215 4.057,1216 0.036,1217 6.681,1218 0.159,1219 4.109,1220 0.045,1221 3.139,1222 3.856,1223 2.443,1224 10.786,1225 3.041,1226 1.951,1227 1.932,1228 2.067,1229 2.068,1230 1.366,1231 2.066,1232 1.94,1233 1.918,1234 2.057,1235 2.064,1236 1.36,1237 2.061,1238 1.896,1239 1.874,1240 2.009,1241 1.972,1242 1.355,1243 1.983,1244 1.875,1245 1.844,1246 2.001,1247 1.967,1248 1.152,1249 1.977,1250 1.775,1251 1.731,1252 1.994,1253 1.948,1254 1.147,1255 1.965,1256 1.758,1257 1.714,1258 1.948,1259 1.902,1260 1.112,1261 1.916,1262 1.736,1263 1.683,1264 1.925,1265 1.878,1266 1.108,1267 1.9,1268 1.593,1269 1.556,1270 1.805,1271 1.797,1272 1.03,1273 1.795,1274 4.92,1276 6.192,1278 7.658,1280 9.215,1282 10.826,1289 10.613,1290 7.884,1292 35.794,1294 -1.802,1298 18.274,1299 4.249,1300 74.194,1301 171.599,1302 423.927,1303 580.32,1304 660.642,1305 680.152,1306 688.152,1307 185.548,1308 9.097,1309 170.22,1310 170.22,1311 36,1312 13.101,1313 4.954,1314 4.392,1315 117.263,1316 705,1317 570,1318 0.076,1319 453.421,1320 832.41,1321 1098.11,1322 204559,1324 44.066,1325 0.699,1326 0.563,1327 44.066,1328 35.465,1329 30.911,1330 0.455,1331 0.32,1332 21.47,1333 29.804,1334 21.106,1335 17.42,1336 30.911,1337 21.748,1338 25.881,1339 0.294,1340 0.178,1341 25.881,1342 15.624,1343 21.619,1344 0.193,1345 0.098,1346 21.619,1347 11.006,1348 17.092,1349 0.124,1350 0.055,1351 17.092,1352 7.531,1353 13.889,1354 0.079,1355 0.03,1356 13.889,1357 5.277,1358 0.132,1359 193.668,1360 0.147,1361 54.286,1362 0.181,1363 312,1364 966.969,1365 344.556,1366 910.452,1367 1209.79,1368 854,1369 356,1370 837.142,1371 388.067,1372 841.114,1373 1226.49,1374 791,1375 5} {0 CHEMBL328191,1 1.548,2 8.9,3 3.296,4 10.861,5 82.664,6 7.768,7 0.524,8 3.675,9 3.776,10 3.325,11 3.322,12 4.808,13 3.247,14 4.158,15 4.311,16 3.562,17 3.664,18 5.321,19 3.549,20 4.388,21 4.613,22 3.419,23 3.687,24 5.333,25 3.547,26 4.362,27 4.584,28 3.49,29 3.699,30 5.304,31 3.559,32 4.403,33 4.611,34 3.564,35 3.762,36 5.368,37 3.603,38 4.461,39 4.696,40 3.479,41 3.722,42 5.4,43 3.527,44 4.287,45 4.541,46 3.186,47 3.518,48 5.135,49 3.304,50 4.083,51 4.34,52 3.005,53 3.266,54 4.994,55 3.078,56 0.024,57 0.475,58 7.718,59 3.793,60 7.731,61 4.604,62 0.156,63 0.772,64 15.013,65 6.428,66 33.845,67 7.93,68 0.165,69 0.91,70 19.311,71 7.788,72 34.781,73 10.057,74 0.143,75 0.894,76 18.303,77 7.612,78 30.656,79 9.881,80 0.136,81 0.956,82 20.016,83 8.22,84 31.165,85 10.299,86 0.204,87 1.041,88 25.274,89 8.946,90 37.052,91 10.955,92 0.143,93 0.85,94 20.785,95 7.727,96 26.428,97 9.639,98 0.095,99 0.683,100 17.21,101 6.263,102 17.186,103 7.791,104 11,105 26,106 0.281,107 0.638,108 0.815,109 0.887,110 0.907,111 0.907,112 3.056,113 1.081,114 -3.75,115 -3.72,116 -3.53,118 43.2,120 4,133 1,134 1,140 3,141 2,143 2,149 2,154 1,163 1,167 1,168 10,169 1,172 3,175 1,177 1,180 12,181 1,186 3,191 1,194 11,195 1,198 3,203 1,206 11,207 1,210 3,215 1,218 9,219 1,222 3,227 1,229 7,230 1,234 2,239 1,242 4,243 2,247 3,252 2,255 2,256 2,259 2,260 1,264 2,268 2,270 612,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.918,277 5.568,278 8.69,279 13.938,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.922,286 1.893,287 4.171,288 10.818,289 3.662,290 1.696,291 0.723,292 0.324,293 0.216,294 0.216,295 3.718,298 1,299 1,300 1,301 367,302 3.464,305 62.988,306 74.192,313 1.23,314 15.575,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42.5,326 178,327 4.375,328 3.596,329 6.499,330 4.004,331 3.011,332 3.954,333 2.341,334 10.176,335 2.989,336 3.748,337 3.028,338 5.254,339 3.252,340 2.29,341 3.313,343 6.425,344 2.222,345 3.55,346 2.291,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.203,354 3.257,355 1.985,356 4.228,357 2.754,358 1.788,359 2.535,361 4.052,362 1.726,363 2.758,364 1.614,365 3.645,366 2.5,367 1.532,368 1.817,370 3.163,371 1.473,372 2.581,373 1.307,374 3.481,375 2.12,376 1.184,377 1.592,379 2.648,380 1.098,381 2.5,382 1.129,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.953,390 2.292,391 1,392 3.191,393 1.849,394 0.912,395 1.16,397 1.996,398 0.834,399 2.118,400 0.678,401 3,402 1.505,403 0.618,404 0.927,406 1.372,407 0.533,408 1.622,409 0.618,410 2.752,411 1.342,412 0.373,413 0.453,415 0.86,416 0.357,417 0.912,418 0.363,419 2.192,420 0.697,421 -0.298,422 -0.324,424 -0.664,425 -0.292,426 0.616,427 -0.004,428 2.073,429 0.168,430 -0.807,431 -1.04,433 -1.788,434 -0.77,435 0.5,436 -0.703,437 1.555,438 0.002,439 -1,440 -1.225,442 -2,443 -0.948,444 0.402,445 -0.898,446 1.53,447 -0.026,448 -1,449 -1.443,451 -2.347,452 -0.974,453 0.142,454 -1,455 1.032,456 -0.158,457 -1.11,458 -1.5,460 -2.584,461 -1.057,462 9.9,463 0.495,464 0.315,465 0.016,466 24.5,467 1.225,468 13,469 0.65,470 11.5,471 0.575,472 15.071,473 0.754,474 21.3,475 0.576,476 15.015,477 0.751,478 4.684,479 0.234,480 5.087,481 0.254,482 0.067,484 0.202,487 0.75,488 1.024,489 0.778,490 0.887,491 0.701,492 0.91,493 0.478,494 1.093,495 1.034,496 1.101,497 0.396,498 1.086,499 0.877,500 0.91,501 0.828,502 0.849,503 0.916,504 0.965,505 0.775,506 0.872,507 0.736,508 0.785,509 0.797,510 0.915,511 0.797,512 1.054,513 0.96,514 0.99,515 0.809,516 1.074,517 0.865,518 1.1,519 1.253,520 1.165,521 0.776,522 1.111,523 0.686,524 1.005,525 1.139,526 1.093,527 0.639,528 1.08,529 0.684,530 1.056,531 1.083,532 1.136,533 0.659,534 1.029,535 2.5,536 0.077,537 1.556,538 0.84,539 0.431,540 0.282,541 0.185,542 0.099,543 0.163,544 0.121,545 3742,546 11940,547 2.024,548 45.9,549 6,550 4,551 2,552 2,553 1,554 2,558 1.619,559 1.935,560 3.107,561 -0.32,562 1,563 1,565 1,567 57.263,568 1.548,569 3.513,570 4.486,571 4.885,572 4.993,573 4.993,574 2.485,575 3.584,576 4.288,577 3.305,578 627.92,579 7.334,580 6717.79,581 1,582 1,583 1,584 1,585 192.75,586 1.157,587 4.273,588 0.119,589 0.009,590 0.06,591 0.037,592 0.018,593 0.012,594 0.009,595 0.007,596 0.013,597 0.009,598 0.291,599 0.67,600 1,601 1.845,602 89.879,603 -0.056,604 0.019,605 0.045,606 0.081,607 -0.049,608 0.044,609 0.181,610 -0.061,611 -0.104,612 -0.098,613 0.224,614 -0.113,615 -0.082,616 0.023,617 -0.033,618 0.032,619 -0.093,620 0.007,621 -0.049,622 0.067,623 0.056,624 0.101,625 -0.069,626 0.062,627 -0.072,628 -0.08,629 -0.051,630 -0.029,631 -0.1,632 -0.092,633 -0.086,634 -0.086,635 -0.133,636 -0.106,637 -0.065,638 -0.114,639 -0.034,640 -0.032,641 -0.081,642 -0.064,643 -0.037,644 -0.066,645 0.051,646 -0.095,647 -0.016,648 -0.111,649 0.038,650 -0.016,651 2.39,652 3.482,653 0.55,654 16.46,655 0.997,656 1.112,657 2.524,658 6.368,659 0.693,660 3.091,661 3.296,662 3.466,663 3.664,664 3.714,665 3.689,666 3.714,667 3.664,668 3.555,669 3.296,670 5.524,671 0.645,672 287.41,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.48,681 10.315,682 11.16,683 2.7,693 1,699 7,700 1,703 1,704 2,706 11,724 37,726 13,728 21,730 38,731 16,733 9,736 2,739 2,740 2,751 4,753 12,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,840 20,845 1,846 4,856 1,862 5.4,864 1,865 1,869 10.333,870 6.4,871 4.639,872 2.253,874 1.882,875 1.316,876 0.933,877 5.783,878 7.838,879 3.384,880 3.866,881 4.345,882 4.861,883 5.161,884 5.317,885 5.619,886 5.778,887 5.88,888 5.88,889 0.833,890 23,891 7.361,893 2.968,894 7.825,895 14.123,897 11.118,899 2.325,900 46.5,901 0.001,904 188.338,905 123.18,906 16.786,908 67.828,910 31.278,911 91.903,912 256.166,913 16.786,915 10.138,916 53.203,917 109.066,918 27.652,919 23.542,920 172.531,922 188.338,923 108.688,924 67.828,925 31.278,927 188.338,928 67.828,931 28.233,932 54.193,933 26.262,934 31.278,935 188.338,936 84.614,937 123.18,940 188.338,941 51.882,942 71.298,944 84.614,945 188.338,946 84.614,947 123.18,949 0.548,950 0.295,951 0.162,952 0.08,953 10,954 4,955 0.184,956 7,958 1,959 3.342,960 134.408,962 11,963 86.439,964 1,968 14.766,969 7.833,970 4.771,972 84.614,973 13.886,974 4.168,977 1.671,978 2.297,980 42.683,981 396.132,982 28.5,987 10.482,989 2.181,991 0.453,994 36.902,995 41.159,996 0.297,997 0.674,998 0.861,999 0.938,1000 0.958,1001 0.958,1002 4.541,1003 0.912,1004 5.252,1005 2.136,1006 3.97,1007 4.549,1008 2.258,1009 5.943,1010 3.91,1011 5.691,1012 0.618,1013 6.725,1014 1.996,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.941,1021 0.373,1022 8.312,1023 1.372,1024 5.416,1025 6.595,1026 3.628,1027 9.793,1028 5.334,1029 8.233,1030 -0.298,1031 9.976,1032 0.86,1033 5.602,1034 6.938,1035 4.112,1036 11.523,1037 5.56,1038 9.562,1039 -0.807,1040 11.696,1041 -0.664,1042 7.171,1043 8.927,1044 5.201,1045 14.116,1046 7.082,1047 10.918,1048 -1,1049 13.456,1050 -1.788,1051 7.821,1052 9.735,1053 5.889,1054 16.213,1055 7.759,1056 12.297,1057 -1,1058 15.244,1059 -2,1060 9.118,1061 11.423,1062 6.849,1063 18.636,1064 9.027,1065 3.011,1066 -1.11,1067 17.054,1068 -2.347,1069 10.003,1070 12.48,1071 7.625,1072 20.869,1073 9.926,1074 2.29,1075 10.176,1076 18.879,1077 -2.584,1078 11.183,1079 14.016,1080 8.526,1081 23.23,1082 11.087,1083 2.234,1084 6.425,1085 20.715,1086 3.954,1087 12.182,1088 15.212,1089 9.342,1090 25.515,1091 12.092,1092 1.788,1093 5.184,1094 22.559,1095 3.313,1096 13.312,1097 16.67,1098 10.216,1099 27.853,1100 13.21,1101 1.532,1102 4.052,1103 24.409,1104 2.711,1105 14.366,1106 17.943,1107 11.051,1108 30.158,1109 14.264,1110 1.184,1111 3.163,1112 26.264,1113 2.535,1114 15.478,1115 19.36,1116 11.912,1117 32.485,1118 15.366,1119 1,1120 2.648,1121 28.123,1122 1.817,1123 16.557,1124 20.676,1125 12.755,1126 34.799,1127 16.442,1128 3818,1129 6889,1130 14.099,1131 25.654,1132 30.458,1133 30.378,1134 30.391,1135 29.807,1136 29.886,1137 39.925,1138 4.682,1139 76.024,1140 28.776,1141 5.233,1142 5.596,1143 6.301,1144 5.06,1145 5.011,1146 6.954,1147 3.925,1148 16.925,1149 4.946,1150 8.219,1151 1.45,1152 1.447,1153 1.447,1154 1.419,1155 1.423,1156 1.901,1157 0.223,1158 3.62,1159 1.37,1160 3.984,1161 4.008,1162 4.214,1163 3.977,1164 7.474,1165 3.934,1166 3.753,1167 3.786,1168 3.822,1169 3.723,1170 6.351,1171 3.68,1172 3.721,1173 3.758,1174 3.603,1175 3.587,1176 4.92,1177 3.576,1178 3.442,1179 3.474,1180 3.377,1181 3.289,1182 4.666,1183 3.283,1184 3.105,1185 3.138,1186 3.05,1187 2.938,1188 4.209,1189 2.936,1190 2.808,1191 2.876,1192 2.64,1193 2.623,1194 3.895,1195 2.62,1196 2.737,1197 2.819,1198 2.614,1199 2.5,1200 3.788,1201 2.512,1202 2.529,1203 2.614,1204 2.546,1205 2.369,1206 3.504,1207 2.336,1208 0.208,1209 0.171,1210 0.309,1211 0.191,1212 0.143,1213 4.375,1214 0.188,1215 3.596,1216 0.111,1217 6.499,1218 0.485,1219 4.004,1220 0.142,1221 3.011,1222 3.954,1223 2.341,1224 10.176,1225 2.989,1226 1.91,1227 1.882,1228 2.033,1229 2.005,1230 1.322,1231 2.014,1232 1.719,1233 1.667,1234 1.925,1235 1.886,1236 1.079,1237 1.902,1238 1.544,1239 1.509,1240 1.704,1241 1.681,1242 0.839,1243 1.687,1244 1.345,1245 1.331,1246 1.551,1247 1.518,1248 0.703,1249 1.527,1250 1.277,1251 1.258,1252 1.3,1253 1.316,1254 0.554,1255 1.403,1256 0.967,1257 0.927,1258 1.162,1259 1.183,1260 0.34,1261 1.204,1262 0.79,1263 0.729,1264 1.086,1265 1.014,1266 0.181,1267 1.046,1268 0.676,1269 0.595,1270 0.967,1271 0.949,1273 0.964,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.898,1281 6.293,1282 9.453,1289 8.628,1290 2.734,1300 23.853,1301 57.263,1302 129.995,1303 165.995,1304 180.75,1305 184.75,1306 184.75,1307 33.165,1308 5.956,1309 50.19,1310 78.43,1311 11,1312 11.724,1313 3.807,1314 3.087,1315 36.377,1316 61,1317 72,1318 0.274,1319 154.887,1320 267.45,1321 369.684,1322 2272,1324 14.209,1325 0.71,1326 0.599,1327 14.562,1328 11.975,1329 9.771,1330 0.465,1331 0.36,1332 6.657,1333 9.048,1334 6.421,1335 5.361,1336 10.271,1337 7.564,1338 8.138,1339 0.313,1340 0.204,1341 8.636,1342 5.291,1343 6.08,1344 0.196,1345 0.119,1346 6.594,1347 3.681,1348 4.914,1349 0.129,1350 0.07,1351 5.499,1352 2.665,1353 3.422,1354 0.086,1355 0.039,1356 3.766,1357 1.544,1358 0.429,1359 65.28,1360 0.266,1361 20.241,1362 0.752,1363 94,1364 280.391,1365 118.758,1366 294.734,1367 387.83,1368 274,1369 104,1370 253.836,1371 123.189,1372 272.34,1373 385.87,1374 255,1375 7.208} {0 CHEMBL328487,1 1.307,2 8.667,3 5.064,4 25.646,5 98.55,6 6.382,7 0.24,8 3.959,9 4.088,10 3.376,11 3.539,12 4.973,13 3.468,14 4.527,15 4.735,16 3.699,17 3.924,18 5.435,19 3.823,20 4.787,21 5.005,22 3.89,23 4.108,24 5.756,25 4.002,26 4.955,27 5.172,28 3.894,29 4.178,30 5.997,31 4.059,32 5.026,33 5.261,34 3.88,35 4.201,36 6.107,37 4.065,38 5.005,39 5.255,40 3.83,41 4.18,42 5.973,43 4.029,44 5.007,45 5.284,46 3.677,47 4.097,48 5.936,49 3.923,50 4.847,51 5.13,52 3.366,53 3.911,54 5.708,55 3.708,56 0.037,57 0.665,58 11.616,59 5.348,60 7.361,61 7.315,62 0.105,63 1.086,64 20.808,65 8.867,66 14.472,67 12.413,68 0.144,69 1.353,70 27.199,71 11.318,72 26.715,73 15.748,74 0.306,75 1.526,76 32.941,77 12.62,78 59.612,79 17.373,80 0.457,81 1.61,82 35.481,83 13.274,84 94.957,85 18.506,86 0.321,87 1.611,88 34.277,89 13.151,90 60.034,91 18.709,92 0.363,93 1.568,94 34.479,95 12.692,96 65.356,97 18.316,98 0.262,99 1.326,100 29.183,101 10.875,102 49.373,103 15.74,104 42,105 34,106 0.222,107 0.483,108 0.668,109 0.759,110 0.813,111 0.848,112 3.229,113 1.063,114 -4.64,115 -4.56,116 -4.29,118 41.2,119 4,120 5,121 1,134 4,140 2,141 1,143 2,152 2,168 15,172 6,180 16,186 10,194 19,198 8,206 20,209 1,210 6,218 18,221 1,222 7,229 16,233 1,234 6,242 13,247 4,255 9,259 3,267 6,270 904,271 15.924,272 15.924,273 15.924,274 15.924,275 15.924,276 14.389,277 9.702,278 9.602,279 15.941,280 12.205,281 12.205,282 12.205,283 12.205,284 12.205,285 9.89,286 12.297,287 4.464,288 12.186,289 4.365,290 2.831,291 1.741,292 1.207,293 0.888,294 0.687,295 3.885,299 1,300 1,301 420,302 3.391,306 172.304,313 1.139,314 25.68,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 50.5,326 208,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 0.68,334 11.949,335 3.381,336 4.117,337 3.426,338 6.35,339 3.822,340 2.818,341 3.57,343 9.419,344 2.828,345 3.74,346 3.158,347 5.791,348 3.344,349 2.303,350 3.125,352 7.292,353 2.393,354 3.618,355 2.473,356 5.65,357 3.236,358 2.238,359 2.806,361 7.085,362 2.23,363 3.07,364 2.135,365 4.495,366 2.831,367 1.834,368 2.219,370 4.291,371 1.828,372 2.773,373 1.856,374 3.767,375 2.598,376 1.613,377 1.791,379 3.309,380 1.587,381 2.5,382 1.688,383 3.618,384 2.205,385 1.217,386 1.5,388 2.632,389 1.201,390 2.468,391 1.267,392 3.618,393 1.957,394 1,395 1.414,397 2.136,398 0.954,399 2.312,400 1.184,401 3.386,402 1.86,403 0.854,404 0.991,406 1.762,407 0.856,408 1.911,409 1.058,410 3.247,411 1.693,412 0.618,413 0.829,415 1.464,416 0.659,417 1.501,418 1,419 2.916,420 1.398,421 0.379,422 0.407,424 0.812,425 0.385,426 1.236,427 0.454,428 2.298,429 1.084,430 0.056,431 0.061,433 0.1,434 0.057,435 0.936,436 -0.012,437 2.224,438 0.688,439 -0.345,440 -0.409,442 -0.745,443 -0.355,444 0.568,445 -0.51,446 2,447 0.273,448 -0.707,449 -0.806,451 -1.387,452 -0.69,453 0.5,454 -0.61,455 1.745,456 -0.024,457 -1,458 -1.262,460 -2.198,461 -0.973,462 11.567,463 0.482,464 0.601,465 0.025,466 25.5,467 1.063,468 12,469 0.5,470 13.5,471 0.563,472 25.875,473 1.078,474 26.833,475 0.526,476 18.097,477 0.754,478 4.521,479 0.188,480 6.964,481 0.29,482 0.231,484 0.346,487 0.536,488 1.233,489 0.942,490 1.173,491 0.529,492 1.11,493 0.593,494 1.02,495 0.846,496 1,497 0.535,498 0.953,499 0.731,500 1.072,501 0.845,502 1.06,503 0.738,504 0.977,505 1.494,506 1.087,507 1.13,508 1.091,509 1.558,510 1.079,511 1.389,512 1.008,513 1.099,514 1,515 1.427,516 1.021,517 0.975,518 1.093,519 1.023,520 1.066,521 0.989,522 1.053,523 1.039,524 0.978,525 1.015,526 0.968,527 1.022,528 0.984,529 1.021,530 1.036,531 1.103,532 1.048,533 0.984,534 1.075,535 3.5,536 0.041,537 3.111,538 2.188,539 1.818,540 0.972,541 0.692,542 0.455,543 0.267,544 0.127,545 5021,546 11102,547 1.925,548 52.9,549 23,550 2,552 2,558 1.679,559 1.756,560 3.033,561 -0.864,567 66.673,568 1.307,569 2.841,570 3.932,571 4.466,572 4.784,573 4.986,574 2.434,575 3.637,576 4.55,577 3.197,578 882.36,579 7.912,580 10222.3,582 1,585 289.294,586 1.555,587 4.483,588 0.14,589 0.008,590 0.092,591 0.055,592 0.048,593 0.026,594 0.02,595 0.016,596 0.013,597 0.011,598 0.428,599 0.5,600 1,601 1.646,602 111.72,603 0.008,604 -0.037,605 0.025,606 -0.001,607 -0.008,608 0.01,609 0.037,610 0.066,611 0.115,612 0.073,613 0.048,614 0.1,615 0.076,616 -0.03,617 0.128,618 -0.008,619 0.079,620 0.056,621 -0.121,622 -0.076,623 -0.106,624 -0.081,625 -0.11,626 -0.09,627 -0.017,628 -0.019,629 -0.079,630 -0.013,631 0.009,632 -0.048,633 0.021,634 -0.093,635 -0.038,636 -0.078,637 -0.001,638 -0.068,639 -0.005,640 -0.006,641 -0.03,642 -0.018,643 -0.022,644 -0.026,645 -0.087,646 -0.075,647 -0.131,648 -0.099,649 -0.084,650 -0.116,651 1.662,652 5.907,653 0.5,654 18.806,655 0.985,656 1.124,657 3.411,658 11.636,659 0.643,660 3.258,661 3.555,662 3.85,663 4.06,664 4.263,665 4.277,666 4.263,667 4.234,668 4.143,669 3.892,670 5.25,671 0.594,672 325.49,673 3.258,674 4.779,675 5.631,676 6.506,677 7.387,678 8.278,679 9.171,680 10.07,681 10.97,682 11.873,683 2,693 1,699 4,700 1,704 1,706 6,724 51,726 10,728 25,730 52,731 21,733 5,736 6,739 2,740 2,745 4,751 5,753 11,754 10,755 1,756 4,761 2,765 6,772 27,773 3,775 3,779 1,784 1,785 2,795 1,802 2,814 2,823 4,832 2,836 4,840 24,846 5,850 1,862 3.9,865 2,869 13.667,870 10.45,871 5.556,872 3.564,874 1.655,875 1.256,876 0.926,877 6.257,878 8.11,879 3.497,880 4.016,881 4.562,882 4.991,883 5.43,884 5.527,885 5.7,886 5.907,887 6.099,888 6.117,889 0.833,890 40,891 8.974,893 3.718,894 7.729,895 17.361,897 14.033,899 2.229,900 53.5,903 1,904 317.82,905 111.216,906 16.786,908 50.29,911 111.216,912 368.11,913 16.786,914 35.301,915 12.673,916 18.952,917 100.885,918 34.023,920 294.278,922 317.82,923 128.001,924 50.29,927 317.82,928 50.29,931 66.068,932 45.147,933 16.786,935 317.82,936 67.075,937 111.216,940 317.82,941 38.867,942 72.348,944 67.075,945 317.82,946 67.075,947 111.216,949 0.57,950 0.35,951 0.183,952 0.1,953 14,954 8,955 0.135,956 7,958 1,959 3.372,960 190.332,962 12,963 110.039,968 18.327,969 8.194,970 3.92,972 67.075,973 7.467,974 4.217,978 1.025,981 496.111,982 32,987 25.427,991 2.471,994 50.243,995 57.315,996 0.23,997 0.501,998 0.693,999 0.787,1000 0.843,1001 0.879,1002 4.732,1003 1,1004 5.624,1005 2.632,1006 4.234,1007 4.7,1008 0.655,1009 6.479,1010 4.246,1011 5.933,1012 0.854,1013 7.223,1014 2.136,1015 3.892,1016 4.527,1018 7.522,1019 3.94,1020 7.252,1021 0.618,1022 8.937,1023 1.762,1024 5.855,1025 6.832,1026 0.356,1027 10.702,1028 5.888,1029 8.613,1030 0.379,1031 10.715,1032 1.464,1033 6.382,1034 7.499,1036 12.57,1037 6.455,1038 10.013,1039 0.056,1040 12.534,1041 0.812,1042 7.824,1043 9.285,1044 0.18,1045 15.296,1046 7.886,1047 11.439,1048 -0.345,1049 14.38,1050 0.1,1051 8.728,1052 10.324,1054 17.497,1055 8.823,1056 12.886,1057 -0.707,1058 16.244,1059 -0.745,1060 9.993,1061 11.907,1062 0.087,1063 20.069,1064 10.086,1065 3.334,1066 -1,1067 18.121,1068 -1.387,1069 11.061,1070 13.13,1072 22.418,1073 11.179,1074 2.818,1075 11.949,1076 20.01,1077 -2.198,1078 12.269,1079 14.624,1080 0.041,1081 24.931,1082 12.393,1083 2.303,1084 9.419,1085 21.906,1086 4.196,1087 13.407,1088 15.943,1090 27.349,1091 13.551,1092 2.238,1093 7.292,1094 23.81,1095 3.57,1096 14.6,1097 17.398,1098 0.019,1099 29.839,1100 14.754,1101 1.834,1102 7.085,1103 25.719,1104 3.125,1105 15.769,1106 18.767,1108 32.289,1109 15.94,1110 1.613,1111 4.291,1112 27.634,1113 2.806,1114 16.96,1115 20.205,1116 0.009,1117 34.771,1118 17.144,1119 1.217,1120 3.309,1121 29.553,1122 2.219,1123 18.144,1124 21.601,1126 37.236,1127 18.344,1128 5249,1129 7936,1130 15.72,1131 32.813,1132 37.214,1133 39.271,1134 39.934,1135 36.56,1136 36.525,1137 45.815,1138 1.36,1139 104.501,1140 36.714,1141 5.611,1142 5.873,1143 6.983,1144 5.384,1145 5.334,1146 7.196,1147 1.36,1148 19.949,1149 5.381,1150 14.648,1151 1.489,1152 1.571,1153 1.597,1154 1.462,1155 1.461,1156 1.833,1157 0.054,1158 4.18,1159 1.469,1160 4.026,1161 4.048,1162 3.98,1163 3.952,1164 7.436,1165 3.955,1166 3.831,1167 3.862,1168 3.772,1169 3.735,1170 7.418,1171 3.739,1172 3.721,1173 3.787,1174 3.555,1175 3.598,1176 4.896,1177 3.579,1178 3.483,1179 3.553,1180 3.329,1181 3.363,1182 4.385,1183 3.346,1184 3.353,1185 3.428,1186 3.176,1187 3.215,1188 4.2,1189 3.193,1190 3.187,1191 3.246,1192 3.07,1193 2.994,1194 4.097,1195 2.993,1196 3.065,1197 3.165,1198 2.841,1199 2.878,1200 3.91,1201 2.856,1202 2.894,1203 2.972,1204 2.644,1205 2.649,1206 3.808,1207 2.628,1208 0.187,1209 0.155,1210 0.282,1211 0.174,1212 0.133,1213 4.678,1214 0.168,1215 3.873,1216 0.027,1217 7.048,1218 0.478,1219 4.349,1220 0.135,1221 3.334,1222 4.196,1223 0.68,1224 11.949,1225 3.381,1226 1.979,1227 1.96,1228 2.094,1229 2.074,1230 1.42,1231 2.079,1232 1.811,1233 1.78,1234 1.996,1235 1.935,1236 1.251,1237 1.951,1238 1.739,1239 1.678,1240 1.926,1241 1.898,1242 1.077,1243 1.917,1244 1.504,1245 1.44,1246 1.778,1247 1.68,1248 0.935,1249 1.719,1250 1.383,1251 1.313,1252 1.687,1253 1.571,1254 0.801,1255 1.615,1256 1.173,1257 1.104,1258 1.54,1259 1.413,1260 0.669,1261 1.456,1262 1.104,1263 1.008,1264 1.482,1265 1.346,1266 0.594,1267 1.399,1268 0.881,1269 0.792,1270 1.256,1271 1.166,1272 0.422,1273 1.195,1274 3.932,1276 5.231,1278 6.751,1280 8.383,1282 10.079,1284 7.488,1290 5.452,1294 -0.046,1300 30.299,1301 66.673,1302 144.887,1303 200.526,1304 227.745,1305 244.009,1306 254.274,1307 67.973,1308 6.455,1309 47.03,1310 47.03,1311 12,1312 12.394,1313 3.459,1314 3,1315 47.861,1316 70,1317 102,1318 0.326,1319 191.718,1320 346.34,1321 459.551,1322 3999,1324 17.69,1325 0.737,1326 0.633,1327 17.69,1328 15.186,1329 11.485,1330 0.459,1331 0.354,1332 8.816,1333 11.283,1334 8.414,1335 7.135,1336 11.485,1337 8.861,1338 9.784,1339 0.288,1340 0.195,1341 9.784,1342 6.635,1343 8.672,1344 0.189,1345 0.109,1346 8.672,1347 5.015,1348 6.508,1349 0.114,1350 0.059,1351 6.508,1352 3.371,1353 4.979,1354 0.071,1355 0.033,1356 4.979,1357 2.302,1358 0.489,1359 70.566,1360 0.252,1361 22.906,1362 0.97,1363 118,1364 305.116,1365 123.595,1366 299.137,1367 402.09,1368 278,1369 139,1370 285.385,1371 145.15,1372 294.556,1373 428.78,1374 276,1375 5.538} {0 CHEMBL328646,1 1.322,2 9.917,3 4.969,4 24.693,5 97.384,6 6.601,7 0.48,8 3.928,9 4.051,10 3.372,11 3.511,12 5.008,13 3.449,14 4.447,15 4.632,16 3.676,17 3.89,18 5.504,19 3.792,20 4.751,21 4.971,22 3.737,23 4.048,24 5.719,25 3.916,26 4.903,27 5.161,28 3.6,29 4.023,30 5.849,31 3.866,32 4.773,33 5.032,34 3.599,35 3.997,36 5.618,37 3.838,38 4.792,39 5.055,40 3.532,41 3.977,42 5.643,43 3.805,44 4.738,45 5.021,46 3.352,47 3.854,48 5.574,49 3.662,50 4.529,51 4.814,52 3.216,53 3.675,54 5.311,55 3.494,56 0.047,57 0.627,58 10.915,59 4.995,60 10.102,61 6.714,62 0.194,63 1.012,64 18.889,65 8.189,66 41.062,67 11.351,68 0.137,69 1.304,70 25.935,71 10.941,72 30.882,73 15.187,74 0.38,75 1.395,76 31.592,77 11.764,78 73.079,79 16.2,80 0.189,81 1.305,82 26.834,83 10.934,84 37.571,85 15.494,86 0.21,87 1.333,88 27.492,89 10.828,90 40.455,91 15.491,92 0.214,93 1.23,94 26.229,95 10.146,96 44.069,97 14.598,98 0.157,99 0.997,100 21.14,101 8.37,102 28.927,103 12.03,104 24,105 33,106 0.226,107 0.551,108 0.728,109 0.823,110 0.842,111 0.842,112 3.227,113 1.008,114 -4.84,115 -4.75,116 -4.46,118 42.9,119 2,120 4,122 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 21,181 3,186 5,191 3,194 20,195 1,198 3,203 1,206 19,207 1,210 4,215 1,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 1,247 2,252 1,255 11,256 2,259 3,264 2,267 10,268 3,270 932,271 15.888,272 15.888,273 15.888,274 15.888,275 15.888,276 14.059,277 7.993,278 9.726,279 15.958,280 12.327,281 12.327,282 12.327,283 12.327,284 12.327,285 9.723,286 7.648,287 4.584,288 12.426,289 4.293,290 2.386,291 1.351,292 0.796,293 0.684,294 0.684,295 3.89,299 1,300 1,301 487,302 4.243,306 185.504,313 1.361,314 18.255,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 50.5,326 238,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.943,333 2.341,334 11.924,335 3.327,336 4.369,337 3.024,338 6.498,339 4.004,340 3.006,341 3.522,343 10.173,344 3.001,345 3.736,346 2.576,347 5.247,348 3.27,349 2.278,350 3.298,352 6.4,353 2.259,354 3.279,355 2.278,356 4.405,357 2.822,358 1.829,359 2.58,361 4.073,362 1.814,363 2.884,364 1.974,365 4.219,366 2.629,367 1.637,368 1.908,370 3.576,371 1.619,372 2.781,373 1.623,374 3.671,375 2.388,376 1.382,377 1.874,379 3.081,380 1.368,381 2.714,382 1.317,383 3.555,384 2.3,385 1.317,386 1.701,388 2.88,389 1.293,390 2.5,391 1.168,392 3.359,393 2,394 1,395 1.5,397 2.284,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.995,408 2.365,409 1,410 3.247,411 1.956,412 1,413 1.266,415 2.136,416 0.953,417 1.617,418 0.536,419 3,420 1.456,421 0.459,422 0.526,424 1.079,425 0.457,426 0.919,427 0.432,428 2.531,429 0.744,430 -0.253,431 -0.27,433 -0.585,434 -0.252,435 0.719,436 -0.117,437 2.198,438 0.277,439 -0.705,440 -0.952,442 -1.547,443 -0.688,444 0.5,445 -0.705,446 2,447 0.112,448 -0.877,449 -1,451 -2,452 -0.868,453 0.5,454 -0.863,455 2,457 -1,458 -1.069,460 -2.001,461 -0.961,462 11.567,463 0.482,464 0.581,465 0.024,466 28.5,467 1.188,468 15,469 0.625,470 13.5,471 0.563,472 21.318,473 0.888,474 26.233,475 0.535,476 19.481,477 0.812,478 5.388,479 0.224,480 6.117,481 0.255,482 0.144,483 0.043,484 0.173,487 0.752,488 1.149,489 0.935,490 1.085,491 0.736,492 1.039,493 0.441,494 1.054,495 0.915,496 1.046,497 0.407,498 1.029,499 0.71,500 1.189,501 1.015,502 1.199,503 0.712,504 1.148,505 1.602,506 0.834,507 1.108,508 0.844,509 1.664,510 0.92,511 0.697,512 0.992,513 0.939,514 0.978,515 0.705,516 0.985,517 0.781,518 1.045,519 1.042,520 1.037,521 0.746,522 1.059,523 0.791,524 0.969,525 1.003,526 0.978,527 0.752,528 1.005,529 0.645,530 0.888,531 0.896,532 0.911,533 0.635,534 0.924,535 4.5,536 0.19,537 2.889,538 1.25,539 0.622,540 0.361,541 0.281,542 0.198,543 0.263,544 0.291,545 6161,546 15663,547 1.962,548 51,549 14,550 8,552 2,553 1,558 1.669,559 1.834,560 3.266,561 -0.424,567 64.786,568 1.322,569 3.228,570 4.264,571 4.818,572 4.931,573 4.931,574 2.584,575 3.32,576 4.558,577 3.481,578 960.76,579 7.866,580 11971.4,582 1,585 275.121,586 1.476,587 4.503,588 0.18,589 0.009,590 0.088,591 0.038,592 0.022,593 0.012,594 0.011,595 0.009,596 0.014,597 0.013,598 0.396,599 0.5,600 1,601 1.959,602 115.78,603 -0.039,604 -0.004,605 0.011,606 0.031,607 -0.057,608 0.025,609 0.207,610 0.028,611 0.028,612 0.015,613 0.215,614 0.006,615 0.021,616 -0.177,617 -0.066,618 -0.172,619 0.044,620 -0.134,621 -0.216,622 0.105,623 -0.091,624 0.115,625 -0.226,626 0.035,627 -0.019,628 -0.012,629 0.01,630 0.018,631 -0.038,632 0.015,633 -0.056,634 -0.053,635 -0.086,636 -0.059,637 -0.067,638 -0.073,639 -0.045,640 -0.006,641 -0.044,642 -0.018,643 -0.042,644 -0.028,645 0.002,646 0.07,647 0.054,648 0.058,649 -0.019,650 0.063,651 2.39,652 4.144,653 0.5,654 21,655 0.987,656 1.12,657 3.61,658 13.029,659 0.654,660 3.258,661 3.526,662 3.689,663 3.761,664 3.912,665 3.807,666 3.871,667 3.892,668 3.892,669 3.807,670 6.33,671 0.608,672 323.47,673 3.258,674 4.762,675 5.565,676 6.402,677 7.228,678 8.069,679 8.902,680 9.746,681 10.582,682 11.427,683 2,693 1,699 9,700 1,704 2,706 12,724 49,726 14,727 1,728 25,730 50,731 21,733 11,734 1,735 5,736 2,739 2,740 2,745 2,746 1,751 4,753 14,754 7,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 24,845 1,846 4,852 1,862 4.1,864 1,865 1,869 13.083,870 9.15,871 5.431,872 3.037,874 2.016,875 1.321,876 0.906,877 6.456,878 8.3,879 3.526,880 4.025,881 4.494,882 4.922,883 5.407,884 5.402,885 5.781,886 6.004,887 6.15,888 6.267,889 1,890 33,891 8.873,893 3.609,894 7.747,895 17.108,897 13.629,899 2.247,900 53.917,902 1,903 1,904 282.506,905 132.16,906 16.786,908 67.828,911 132.16,912 350.335,913 16.786,914 17.65,915 10.138,916 75.81,917 109.066,918 27.652,920 258.964,922 282.506,923 148.945,924 67.828,927 282.506,928 67.828,931 45.883,932 76.8,933 26.262,935 282.506,936 84.614,937 132.16,940 282.506,941 20.605,942 111.555,944 84.614,945 282.506,946 84.614,947 132.16,949 0.571,950 0.323,951 0.149,952 0.079,953 13,954 6,955 0.16,956 8,958 1,959 3.609,960 175.535,962 12,963 104.039,968 18.097,969 8.562,970 5.417,972 84.614,973 17.967,974 4.221,978 2.283,980 42.683,981 499.28,982 33,987 11.144,989 2.236,991 0.458,994 48.36,995 54.9,996 0.235,997 0.575,998 0.759,999 0.858,1000 0.878,1001 0.878,1002 4.727,1003 1,1004 5.557,1005 2.88,1006 4.205,1007 4.71,1008 2.258,1009 6.354,1010 4.192,1011 5.918,1012 1,1013 7.125,1014 2.284,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.887,1020 7.211,1021 1,1022 8.829,1023 2.136,1024 5.838,1025 6.782,1026 3.628,1027 10.591,1028 5.822,1029 8.548,1030 0.459,1031 10.618,1032 2.136,1033 6.415,1034 7.211,1035 4.112,1036 12.691,1037 6.409,1038 9.921,1039 -0.253,1040 12.463,1041 1.079,1042 7.863,1043 9.147,1044 5.201,1045 15.272,1046 7.848,1047 11.321,1048 -0.705,1049 14.344,1050 -0.585,1051 8.805,1052 9.962,1053 5.889,1054 17.613,1055 8.796,1056 12.741,1057 -0.877,1058 16.247,1059 -1.547,1060 10.076,1061 11.648,1062 6.849,1063 20.098,1064 10.063,1065 3.331,1066 -1,1067 18.165,1068 -2,1069 11.163,1070 12.675,1071 7.625,1072 22.515,1073 11.153,1074 3.006,1075 11.924,1076 20.095,1077 -2.001,1078 12.374,1079 14.223,1080 8.526,1081 24.978,1082 12.36,1083 2.278,1084 10.173,1085 22.031,1086 3.943,1087 13.518,1088 15.376,1089 9.342,1090 27.423,1091 13.505,1092 1.829,1093 6.4,1094 23.974,1095 3.522,1096 14.709,1097 16.845,1098 10.216,1099 29.883,1100 14.695,1101 1.637,1102 4.073,1103 25.921,1104 3.298,1105 15.878,1106 18.076,1107 11.051,1108 32.34,1109 15.863,1110 1.382,1111 3.576,1112 27.871,1113 2.58,1114 17.064,1115 19.498,1116 11.912,1117 34.803,1118 17.048,1119 1.317,1120 3.081,1121 29.824,1122 1.908,1123 18.244,1124 20.778,1125 12.755,1126 37.266,1127 18.227,1128 6270,1129 10062,1130 16.178,1131 32.052,1132 37.265,1133 37.378,1134 37.228,1135 36.487,1136 36.478,1137 47.237,1138 4.682,1139 99.485,1140 36.174,1141 5.307,1142 5.979,1143 7.008,1144 5.367,1145 5.331,1146 6.943,1147 3.925,1148 18.658,1149 5.327,1150 12.706,1151 1.491,1152 1.495,1153 1.489,1154 1.459,1155 1.459,1156 1.889,1157 0.187,1158 3.979,1159 1.447,1160 3.999,1161 4.029,1162 3.94,1163 3.944,1164 7.474,1165 3.939,1166 3.83,1167 3.871,1168 3.724,1169 3.719,1170 6.351,1171 3.712,1172 3.787,1173 3.827,1174 3.715,1175 3.696,1176 4.924,1177 3.695,1178 3.58,1179 3.636,1180 3.443,1181 3.454,1182 4.74,1183 3.443,1184 3.256,1185 3.311,1186 3.131,1187 3.132,1188 4.279,1189 3.12,1190 3.036,1191 3.048,1192 2.893,1193 2.758,1194 4.17,1195 2.747,1196 2.905,1197 3.009,1198 2.687,1199 2.735,1200 3.852,1201 2.715,1202 2.874,1203 2.991,1204 2.681,1205 2.637,1206 3.783,1207 2.687,1208 0.176,1209 0.159,1210 0.288,1211 0.173,1212 0.133,1213 4.406,1214 0.158,1215 3.979,1216 0.094,1217 7.206,1218 0.477,1219 4.332,1220 0.133,1221 3.331,1222 3.943,1223 2.341,1224 11.924,1225 3.327,1226 1.975,1227 1.951,1228 2.089,1229 2.052,1230 1.385,1231 2.065,1232 1.82,1233 1.777,1234 2.022,1235 1.967,1236 1.196,1237 1.986,1238 1.78,1239 1.744,1240 1.912,1241 1.893,1242 1.056,1243 1.903,1244 1.587,1245 1.533,1246 1.831,1247 1.757,1248 0.932,1249 1.784,1250 1.265,1251 1.209,1252 1.532,1253 1.435,1254 0.71,1255 1.469,1256 0.942,1257 0.864,1258 1.417,1259 1.276,1260 0.469,1261 1.308,1262 0.934,1263 0.821,1264 1.258,1265 1.239,1266 0.422,1267 1.213,1268 0.886,1269 0.817,1270 1.181,1271 1.138,1272 0.218,1273 1.173,1274 3.932,1276 5.209,1278 6.686,1280 8.245,1282 9.843,1284 3.576,1289 9.164,1290 3.511,1296 -0.644,1300 29.773,1301 64.786,1302 158.192,1303 208.94,1304 236.101,1305 241.611,1306 241.611,1307 53.318,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.99,1313 3.907,1314 3.17,1315 48.434,1316 88,1317 82,1318 0.257,1319 188.79,1320 332.8,1321 452.409,1322 3574,1324 17.416,1325 0.726,1326 0.6,1327 17.416,1328 14.405,1329 11.505,1330 0.46,1331 0.336,1332 8.353,1333 11.293,1334 8.038,1335 6.792,1336 11.505,1337 8.399,1338 10.203,1339 0.309,1340 0.202,1341 10.203,1342 6.66,1343 7.932,1344 0.203,1345 0.109,1346 7.932,1347 4.241,1348 5.407,1349 0.129,1350 0.062,1351 5.407,1352 2.607,1353 4.258,1354 0.087,1355 0.036,1356 4.258,1357 1.747,1358 0.407,1359 70.684,1360 0.249,1361 23.732,1362 0.692,1363 116,1364 297.53,1365 121.816,1366 295.831,1367 394.75,1368 274,1369 130,1370 278.779,1371 135.485,1372 289.484,1373 411.26,1374 270,1375 7.42} {0 CHEMBL329064,1 1.436,2 11.357,3 5.683,4 32.295,5 115.977,6 7.638,7 0.6,8 3.991,9 4.092,10 3.619,11 3.664,12 5.119,13 3.592,14 4.47,15 4.612,16 3.942,17 4.041,18 5.598,19 3.921,20 4.75,21 4.953,22 4.021,23 4.154,24 5.705,25 4.001,26 4.735,27 4.938,28 3.87,29 4.111,30 5.686,31 3.962,32 4.791,33 4.986,34 3.918,35 4.147,36 5.831,37 4.022,38 4.923,39 5.146,40 3.859,41 4.156,42 5.965,43 4.015,44 4.876,45 5.136,46 3.7,47 4.054,48 5.793,49 3.875,50 4.69,51 4.959,52 3.68,53 3.916,54 5.551,55 3.726,56 0.038,57 0.617,58 10.358,59 5.031,60 9.334,61 6.32,62 0.174,63 1.027,64 19.443,65 8.687,66 37.945,67 10.846,68 0.221,69 1.365,70 32.271,71 12.52,72 32.917,73 15.11,74 0.184,75 1.326,76 29.97,77 12.007,78 32.918,79 14.71,80 0.179,81 1.377,82 28.51,83 11.826,84 40.389,85 14.924,86 0.283,87 1.562,88 32.09,89 12.864,90 63,91 16.538,92 0.263,93 1.504,94 31.922,95 12.743,96 54.889,97 16.813,98 0.185,99 1.267,100 28.177,101 11.248,102 35.723,103 14.667,104 6,105 38,106 0.239,107 0.529,108 0.693,109 0.82,110 0.867,111 0.874,112 3.374,113 1.022,114 -5.53,115 -5.41,116 -5.05,118 47.1,120 3,126 1,133 1,134 1,140 12,141 2,142 1,143 2,154 1,163 1,167 1,168 18,172 2,175 1,180 23,181 2,186 4,191 2,194 21,195 1,198 3,203 1,206 19,207 3,210 6,215 3,218 19,219 3,222 6,227 3,229 16,230 2,234 4,239 2,242 12,243 2,247 2,252 2,255 9,256 3,259 4,260 1,264 3,267 10,268 3,270 1264,271 19.294,272 19.294,273 19.294,274 19.294,275 19.294,276 16.7,277 6.999,278 12.105,279 19.541,280 14.866,281 14.866,282 14.866,283 14.866,284 14.866,285 11.208,286 3.03,287 5.788,288 15.3,289 4.237,290 2.496,291 1.515,292 0.75,293 0.471,294 0.431,295 4.061,300 1,301 676,302 3.937,306 332.475,313 1.546,314 19.785,317 0.75,318 1,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.81,325 58.5,326 318,327 4.369,328 4.643,329 6.498,330 4.005,331 3.006,332 3.943,333 3.412,334 10.173,335 3.001,336 4.006,337 3.65,338 5.967,339 3.717,340 2.793,341 3.468,342 2.114,343 8.434,344 2.566,345 3.744,346 3.024,347 5.262,348 3.342,349 2.376,350 3.298,352 6.614,353 2.274,354 3.736,355 2.816,356 5.247,357 3.27,358 2.278,359 2.99,361 6.4,362 2.259,363 3.278,364 2.278,365 4.223,366 2.792,367 1.802,368 2.58,370 4.056,371 1.782,372 2.924,373 1.963,374 3.873,375 2.557,376 1.565,377 2.078,379 3.348,380 1.546,381 2.781,382 1.733,383 3.64,384 2.438,385 1.478,386 1.908,388 3.124,389 1.399,390 2.764,391 1.595,392 3.555,393 2.3,394 1.317,395 1.783,397 2.88,398 1.294,399 2.522,400 1.317,401 3.476,402 2.105,403 1.122,404 1.5,406 2.581,407 1.088,408 2.5,409 1.04,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.5,427 1,428 3.247,429 1.956,430 1,431 1.439,433 2.136,434 0.953,435 2.054,436 1,437 3.203,438 1.686,439 0.722,440 0.913,442 1.754,443 0.684,444 1.291,445 0.644,446 2.789,447 1.104,448 0.156,449 0.173,451 0.376,452 0.145,453 0.936,454 0.459,455 2.308,456 0.593,457 -0.341,458 -0.395,460 -0.809,461 -0.311,462 13.9,463 0.496,464 0.435,465 0.016,466 37.5,467 1.339,468 21.5,469 0.768,470 16,471 0.571,472 22.127,473 0.79,474 28.7,475 0.563,476 26.494,477 0.946,478 7.349,479 0.262,480 6.388,481 0.228,482 0.048,484 0.216,487 0.738,488 0.962,489 0.783,490 0.867,491 0.712,492 0.881,493 0.492,494 1.074,495 1.043,496 1.08,497 0.456,498 1.079,499 0.763,500 1.035,501 1.179,502 1.17,503 0.827,504 1.013,505 0.945,506 1.052,507 1.229,508 1.149,509 0.946,510 1.054,511 1.044,512 1.119,513 1.046,514 1.098,515 1.041,516 1.089,517 1.33,518 1.055,519 0.962,520 0.977,521 1.308,522 1.083,523 1.039,524 0.942,525 0.854,526 0.877,527 1.046,528 0.999,529 0.745,530 0.823,531 0.791,532 0.811,533 0.756,534 0.853,535 3.5,536 0.153,537 2.222,538 1.438,539 0.933,540 0.424,541 0.301,542 0.297,543 0.246,544 0.234,545 10232,546 27305,547 2.076,548 45.1,549 4,550 14,552 2,553 1,555 2,558 1.712,559 2,560 3.471,561 -0.429,567 73.213,568 1.436,569 3.177,570 4.157,571 4.922,572 5.202,573 5.241,574 2.802,575 3.736,576 4.783,577 3.651,578 1380.09,579 8.321,580 19238.1,585 289.294,586 1.095,587 4.765,588 0.117,589 0.005,590 0.058,591 0.038,592 0.026,593 0.011,594 0.009,595 0.011,596 0.009,597 0.008,598 0.292,599 0.33,600 0.88,601 0.615,602 142.519,603 -0.042,604 0.035,605 0.046,606 0.075,607 -0.052,608 0.048,609 0.174,610 -0.058,611 -0.047,612 -0.057,613 0.171,614 -0.118,615 0.038,616 -0.03,617 0.02,618 -0.05,619 -0.03,620 -0.001,621 -0.069,622 -0.062,623 -0.131,624 -0.089,625 -0.074,626 -0.058,627 -0.06,628 -0.151,629 -0.13,630 -0.148,631 -0.04,632 -0.126,633 -0.134,634 -0.091,635 -0.123,636 -0.094,637 -0.097,638 -0.133,639 -0.067,640 0.015,641 0.011,642 0.027,643 -0.076,644 -0.015,645 0.044,646 0.146,647 0.211,648 0.18,649 0.014,650 0.167,651 2.423,652 4.63,653 0.643,654 25.51,655 0.991,656 1.106,657 4.3,658 18.493,659 0.705,660 3.434,661 3.664,662 3.871,663 4.06,664 4.234,665 4.094,666 4.159,667 4.205,668 4.174,669 4.078,670 7.009,671 0.656,672 389.55,673 3.434,674 4.92,675 5.727,676 6.555,677 7.381,678 8.216,679 9.048,680 9.885,681 10.721,682 11.559,683 2,693 1,699 14,700 1,704 3,706 18,724 51,726 20,727 2,728 30,730 53,731 24,733 17,734 2,735 10,736 2,739 3,740 3,751 4,753 20,754 4,756 2,761 1,763 1,765 2,772 23,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 3,818 1,822 1,823 1,830 1,832 3,833 1,834 1,840 28,845 1,846 3,849 1,850 1,862 3.9,864 1,865 1,869 14,870 8.817,871 6.417,872 3.058,874 2.54,875 1.376,876 0.951,877 7.601,878 9.293,879 3.738,880 4.241,881 4.738,882 5.23,883 5.721,884 5.641,885 5.984,886 6.221,887 6.372,888 6.444,889 1,890 38,891 10.346,893 4.265,894 7.714,895 19.897,897 15.96,899 2.214,900 62,904 258.964,905 193.127,906 16.786,908 67.828,910 32.22,911 160.907,912 326.793,913 16.786,915 7.604,916 123.191,917 109.066,918 29.202,920 267.642,922 258.964,923 177.693,924 67.828,925 32.22,927 235.422,928 91.37,931 25.698,932 125.732,933 26.262,934 32.22,935 258.964,936 84.614,937 193.127,940 258.964,941 51.84,942 141.286,944 84.614,945 258.964,946 84.614,947 193.127,949 0.555,950 0.316,951 0.173,952 0.096,953 15,954 6,955 0.17,956 9,958 1,959 4.089,960 223.448,962 18,963 126.606,964 1,968 20.069,969 10.605,970 6.182,972 84.614,973 27.563,974 4.236,978 3.205,980 42.683,981 536.705,982 41,987 11.63,989 2.193,991 0.379,994 50.552,995 56.404,996 0.253,997 0.56,998 0.733,999 0.868,1000 0.917,1001 0.924,1002 4.909,1003 1.317,1004 5.645,1005 3.124,1006 4.344,1007 4.927,1008 3.433,1009 6.354,1010 4.287,1011 6.063,1012 1.122,1013 7.133,1014 2.88,1015 3.611,1016 4.27,1017 2.243,1018 7.086,1019 3.501,1020 7.315,1021 1,1022 8.731,1023 2.581,1024 5.82,1025 6.975,1026 5.652,1027 10.188,1028 5.706,1029 8.602,1030 1,1031 10.4,1032 2.136,1033 5.994,1034 7.168,1035 4.491,1036 11.855,1037 5.83,1038 9.924,1039 1,1040 12.118,1041 2.136,1042 7.59,1043 9.288,1044 8.019,1045 14.425,1046 7.427,1047 11.27,1048 0.722,1049 13.869,1050 2.136,1051 8.211,1052 9.923,1053 6.946,1054 16.461,1055 8.012,1056 12.637,1057 0.156,1058 15.645,1059 1.754,1060 9.526,1061 11.739,1062 10.428,1063 18.855,1064 9.326,1065 3.006,1066 -0.341,1067 17.438,1068 0.376,1069 10.375,1070 12.638,1071 9.511,1072 21.045,1073 10.154,1074 2.793,1075 10.173,1076 19.243,1077 -0.809,1078 11.557,1079 14.273,1080 12.853,1081 23.38,1082 11.336,1083 2.376,1084 8.434,1085 21.058,1086 3.943,1087 12.523,1088 15.34,1089 12.101,1090 25.637,1091 12.293,1092 2.278,1093 6.614,1094 22.881,1095 3.468,1096 13.646,1097 16.866,1098 15.283,1099 27.954,1100 13.417,1101 1.802,1102 6.4,1103 24.71,1104 3.298,1105 14.671,1106 18.041,1107 14.686,1108 30.241,1109 14.439,1110 1.565,1111 4.056,1112 26.544,1113 2.99,1114 15.769,1115 19.5,1116 17.715,1117 32.553,1118 15.54,1119 1.478,1120 3.348,1121 28.382,1122 2.58,1123 16.823,1124 20.745,1125 17.255,1126 34.855,1127 16.597,1128 9887,1129 16274,1130 20.455,1131 35.938,1132 43.822,1133 45.857,1134 44.015,1135 43.292,1136 43.234,1137 58.146,1138 11.052,1139 112.295,1140 41.983,1141 5.266,1142 6.643,1143 6.3,1144 5.112,1145 5.006,1146 6.943,1147 6.739,1148 16.907,1149 5.001,1150 9.737,1151 1.461,1152 1.529,1153 1.467,1154 1.443,1155 1.441,1156 1.938,1157 0.368,1158 3.743,1159 1.399,1160 4.001,1161 4.029,1162 4.044,1163 3.949,1164 7.474,1165 3.942,1166 3.887,1167 3.911,1168 3.93,1169 3.864,1170 6.351,1171 3.831,1172 3.788,1173 3.828,1174 3.716,1175 3.704,1176 4.925,1177 3.702,1178 3.703,1179 3.747,1180 3.634,1181 3.594,1182 4.748,1183 3.576,1184 3.457,1185 3.482,1186 3.397,1187 3.336,1188 4.734,1189 3.32,1190 3.15,1191 3.184,1192 3.103,1193 3.006,1194 4.249,1195 2.991,1196 2.89,1197 2.925,1198 3.034,1199 2.787,1200 3.935,1201 2.758,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.797,1207 2.715,1208 0.146,1209 0.155,1210 0.217,1211 0.133,1212 0.1,1213 4.369,1214 0.131,1215 4.643,1216 0.114,1217 6.498,1218 0.339,1219 4.005,1220 0.1,1221 3.006,1222 3.943,1223 3.412,1224 10.173,1225 3.001,1226 1.975,1227 1.951,1228 2.081,1229 2.049,1230 1.33,1231 2.061,1232 1.884,1233 1.863,1234 1.988,1235 1.949,1236 1.154,1237 1.977,1238 1.784,1239 1.748,1240 1.933,1241 1.893,1242 1.059,1243 1.905,1244 1.7,1245 1.654,1246 1.894,1247 1.851,1248 0.94,1249 1.874,1250 1.412,1251 1.383,1252 1.582,1253 1.595,1254 0.815,1255 1.592,1256 1.105,1257 1.07,1258 1.292,1259 1.319,1260 0.456,1261 1.312,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.24,1267 1.107,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.111,1276 5.361,1278 6.81,1280 8.344,1282 9.92,1289 9.555,1290 2.256,1293 1.418,1294 -0.436,1300 33.433,1301 73.213,1302 162.019,1303 212.009,1304 251.029,1305 265.294,1306 267.294,1307 52.356,1308 6.753,1309 50.19,1310 75.49,1311 18,1312 12.126,1313 4.392,1314 3.585,1315 49.636,1316 120,1317 108,1318 0.198,1319 212.523,1320 372.03,1321 510.316,1322 7022,1324 19.606,1325 0.7,1326 0.585,1327 19.96,1328 16.386,1329 13.737,1330 0.458,1331 0.341,1332 9.374,1333 13.056,1334 9.082,1335 7.573,1336 14.145,1337 10.223,1338 11.488,1339 0.302,1340 0.202,1341 12.157,1342 7.69,1343 9.177,1344 0.195,1345 0.12,1346 10.037,1347 5.639,1348 7.342,1349 0.129,1350 0.07,1351 8.085,1352 4.016,1353 5.966,1354 0.088,1355 0.041,1356 6.672,1357 2.817,1358 0.316,1359 88.16,1360 0.221,1361 27.106,1362 0.529,1363 136,1364 364.391,1365 167.439,1366 382.707,1367 516.26,1368 358,1369 153,1370 351.179,1371 180.644,1372 374.805,1373 538.96,1374 354,1375 7.481} {0 CHEMBL329965,1 1.401,2 9.833,3 3.414,4 11.655,5 94.808,6 6.924,7 0.48,8 3.904,9 4.015,10 3.389,11 3.454,12 5.025,13 3.413,14 4.414,15 4.583,16 3.636,17 3.804,18 5.517,19 3.725,20 4.656,21 4.872,22 3.692,23 3.941,24 5.602,25 3.83,26 4.751,27 4.977,28 3.695,29 3.945,30 5.797,31 3.828,32 4.739,33 4.963,34 3.682,35 3.977,36 5.71,37 3.853,38 4.824,39 5.072,40 3.557,41 3.956,42 5.792,43 3.805,44 4.697,45 4.977,46 3.382,47 3.825,48 5.503,49 3.647,50 4.518,51 4.79,52 3.363,53 3.664,54 5.375,55 3.521,56 0.03,57 0.601,58 10.146,59 4.704,60 9.628,61 6.073,62 0.252,63 0.945,64 18.16,65 7.474,66 44.72,67 9.935,68 0.16,69 1.165,70 23.57,71 9.661,72 32.399,73 13.185,74 0.5,75 1.219,76 27.023,77 10.121,78 68.023,79 13.775,80 0.22,81 1.251,82 25.965,83 10.269,84 42.184,85 14.084,86 0.351,87 1.323,88 29.182,89 10.612,90 66.198,91 14.773,92 0.208,93 1.179,94 25.492,95 9.707,96 37.526,97 14.022,98 0.135,99 0.979,100 21.173,101 8.154,102 24.702,103 11.645,104 20,105 31,106 0.241,107 0.583,108 0.781,109 0.86,110 0.88,111 0.88,112 3.228,113 0.972,114 -3.81,115 -3.77,116 -3.58,118 42.6,120 3,121 1,123 1,124 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 15,169 1,172 4,175 1,177 1,180 17,181 1,186 4,187 1,191 1,194 17,195 1,197 1,198 4,201 1,203 1,206 16,207 1,210 5,215 1,218 15,219 1,222 5,227 1,229 12,230 1,234 4,239 1,242 8,243 2,247 5,252 2,255 4,256 3,259 6,260 1,264 3,267 1,268 3,270 932,271 16.441,272 16.441,273 16.441,274 16.441,275 16.441,276 14.598,277 8.53,278 10.394,279 16.688,280 12.331,281 12.331,282 12.331,283 12.331,284 12.331,285 9.707,286 5.348,287 4.84,288 12.616,289 4.154,290 2.168,291 1.019,292 0.559,293 0.442,294 0.442,295 3.895,298 1,299 1,300 1,301 483,302 4,306 185.202,313 1.306,314 20.748,315 1,316 1,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 51.5,326 236,327 4.369,328 3.727,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.002,336 3.881,337 3.024,338 5.909,339 3.713,340 2.718,341 3.298,342 0.86,343 8.127,344 2.692,345 3.736,346 2.35,347 5.247,348 3.27,349 2.278,350 3.03,352 6.4,353 2.259,354 3.278,355 2.278,356 4.223,357 2.792,358 1.802,359 2.58,361 4.056,362 1.782,363 2.8,364 1.971,365 3.895,366 2.56,367 1.567,368 1.908,370 3.353,371 1.549,372 2.781,373 1.705,374 3.587,375 2.323,376 1.393,377 1.804,379 2.88,380 1.296,381 2.629,382 1.504,383 3.555,384 2.299,385 1.317,386 1.59,388 2.87,389 1.275,390 2.5,391 1.317,392 3.315,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.959,403 1,404 1.5,406 2.136,407 0.955,408 2.269,409 1,410 3.247,411 1.944,412 1,413 1.198,415 2.13,416 0.935,417 1.812,418 0.839,419 2.922,420 1.563,421 0.608,422 0.708,424 1.23,425 0.574,426 1.163,427 0.454,428 2.4,429 1.029,430 0.054,431 0.058,433 0.109,434 0.052,435 0.719,436 0.308,437 2.198,438 0.369,439 -0.578,440 -0.618,442 -1.057,443 -0.532,444 0.69,445 -0.054,446 1.895,447 0.276,448 -0.705,449 -0.952,451 -1.547,452 -0.688,453 0.5,454 -0.691,455 1.571,456 0.062,457 -0.906,458 -1.048,460 -1.87,461 -0.841,462 11.4,463 0.475,464 0.366,465 0.015,466 29,467 1.208,468 15,469 0.625,470 14,471 0.583,472 18.968,473 0.79,474 26.4,475 0.562,476 20.897,477 0.871,478 5.97,479 0.249,480 5.749,481 0.24,482 0.102,484 0.219,487 0.794,488 1.197,489 0.876,490 1.122,491 0.723,492 1.029,493 0.892,494 1.024,495 1.03,496 1.015,497 0.548,498 1.037,499 0.769,500 1.069,501 0.952,502 1.074,503 0.842,504 1.046,505 0.974,506 0.902,507 1.008,508 0.913,509 1.143,510 0.961,511 0.888,512 1.085,513 1.034,514 1.074,515 0.882,516 1.077,517 1.11,518 0.989,519 1.146,520 0.987,521 1.222,522 1.058,523 0.564,524 0.96,525 0.922,526 0.972,527 0.566,528 0.992,529 0.542,530 0.948,531 0.787,532 0.964,533 0.563,534 0.915,535 3,536 0.116,537 2.222,538 1.375,539 0.702,540 0.25,541 0.199,542 0.26,543 0.263,544 0.169,545 6049,546 17059,547 1.996,548 48.9,549 6,550 13,552 2,553 1,554 1,558 1.672,559 1.895,560 3.267,561 -0.383,563 1,567 65.83,568 1.401,569 3.387,570 4.535,571 4.996,572 5.113,573 5.113,574 2.557,575 3.09,576 4.557,577 3.446,578 950.993,579 7.878,580 11800.8,582 1,584 1,585 261.066,586 1.236,587 4.528,588 0.12,589 0.006,590 0.072,591 0.043,592 0.023,593 0.008,594 0.008,595 0.012,596 0.012,597 0.007,598 0.31,599 0.5,600 1,601 2.011,602 115.382,603 -0.036,604 -0.053,605 0.02,606 -0.011,607 -0.042,608 0.008,609 0.029,610 0.05,611 -0.09,612 0.029,613 0.133,614 -0.036,615 -0.024,616 -0.061,617 -0.017,618 -0.05,619 -0.052,620 -0.035,621 0.099,622 0.069,623 -0.022,624 0.075,625 -0.017,626 0.018,627 -0.07,628 -0.087,629 -0.085,630 -0.067,631 -0.059,632 -0.079,633 -0.155,634 -0.012,635 -0.168,636 -0.024,637 -0.162,638 -0.087,639 0.008,640 0.005,641 0.018,642 -0.001,643 -0.01,644 0.01,645 0.076,646 0.013,647 0.16,648 0.014,649 0.049,650 0.09,651 2.462,652 4.157,653 0.5,654 21,655 0.996,656 1.121,657 2.579,658 6.65,659 0.654,660 3.258,661 3.466,662 3.664,663 3.829,664 3.951,665 3.807,666 3.892,667 3.951,668 3.932,669 3.807,670 6.189,671 0.616,672 325.44,673 3.258,674 4.727,675 5.525,676 6.347,677 7.168,678 7.998,679 8.827,680 9.661,681 10.494,682 11.332,683 2.1,693 1,699 9,700 1,704 2,706 12,724 47,726 14,727 1,728 25,730 48,731 20,733 11,734 1,735 5,736 2,739 2,740 2,751 3,753 14,754 6,755 1,756 2,761 1,763 1,765 2,768 1,769 1,772 23,773 4,774 1,775 4,779 1,784 1,785 3,795 1,802 2,818 1,822 1,823 1,830 1,831 1,832 2,836 1,840 24,845 1,846 4,848 1,850 1,862 6.4,864 1,865 1,866 1,869 12.667,870 8.4,871 5.667,872 2.767,874 2.016,875 1.321,876 0.91,877 7.347,878 8.3,879 3.526,880 3.989,881 4.472,882 4.951,883 5.42,884 5.407,885 5.793,886 6.033,887 6.196,888 6.306,889 1,890 32,891 8.858,893 3.563,894 7.813,895 16.907,897 13.174,899 2.313,900 55.5,903 1,904 258.964,905 127.45,906 16.786,908 78.828,911 127.45,912 337.792,913 16.786,914 10.883,915 12.196,916 75.81,917 120.066,918 27.652,920 235.422,922 258.964,923 144.236,924 78.828,927 258.964,928 67.828,929 11,931 30.291,932 87.683,933 26.262,935 258.964,936 95.614,937 127.45,940 258.964,941 22.663,942 104.788,944 95.614,945 258.964,946 95.614,947 127.45,949 0.546,950 0.315,951 0.173,952 0.091,953 11,954 5,955 0.188,956 9,958 1,959 3.644,960 174.591,962 12,963 106.039,968 18.059,969 9.764,970 5.702,972 95.614,973 17.734,974 4.2,978 2.201,980 42.683,981 482.028,982 33,987 11.157,989 2.165,991 0.332,994 46.803,995 52.694,996 0.252,997 0.61,998 0.816,999 0.899,1000 0.92,1001 0.92,1002 4.691,1003 1,1004 5.442,1005 2.87,1006 4.143,1007 4.673,1008 2.402,1009 6.155,1010 4.111,1011 5.833,1012 1,1013 6.936,1014 2.136,1015 3.434,1016 4.06,1017 2.243,1018 6.94,1019 3.426,1020 7.082,1021 1,1022 8.545,1023 2.136,1024 5.617,1025 6.696,1026 3.657,1027 10.033,1028 5.577,1029 8.371,1030 0.608,1031 10.229,1032 2.13,1033 5.832,1034 6.961,1035 4.112,1036 11.749,1037 5.816,1038 9.697,1039 0.054,1040 11.962,1041 1.23,1042 7.403,1043 9.017,1044 5.206,1045 14.316,1046 7.362,1047 11.05,1048 -0.578,1049 13.729,1050 0.109,1051 8.064,1052 9.728,1053 5.889,1054 16.382,1055 8.039,1056 12.425,1057 -0.705,1058 15.519,1059 -1.057,1060 9.361,1061 11.492,1062 6.849,1063 18.779,1064 9.319,1065 3.006,1066 -0.906,1067 17.325,1068 -1.547,1069 10.241,1070 12.459,1071 7.625,1072 20.986,1073 10.208,1074 2.718,1075 10.173,1076 19.142,1077 -1.87,1078 11.414,1079 14.058,1080 8.526,1081 23.326,1082 11.371,1083 2.278,1084 8.127,1085 20.967,1086 3.943,1087 12.4,1088 15.183,1089 9.342,1090 25.592,1091 12.361,1092 1.802,1093 6.4,1094 22.799,1095 3.298,1096 13.519,1097 16.685,1098 10.216,1099 27.914,1100 13.475,1101 1.567,1102 4.056,1103 24.636,1104 3.03,1105 14.556,1106 17.906,1107 11.051,1108 30.206,1109 14.514,1110 1.393,1111 3.353,1112 26.477,1113 2.58,1114 15.654,1115 19.353,1116 11.912,1117 32.523,1118 15.609,1119 1.317,1120 2.88,1121 28.322,1122 1.908,1123 16.717,1124 20.633,1125 12.755,1126 34.829,1127 16.672,1128 6161,1129 10408,1130 16.583,1131 30.745,1132 36.068,1133 36.363,1134 36.733,1135 35.488,1136 35.488,1137 46.232,1138 6.402,1139 91.198,1140 34.741,1141 5.256,1142 5.727,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.002,1150 11.131,1151 1.443,1152 1.455,1153 1.469,1154 1.42,1155 1.42,1156 1.849,1157 0.256,1158 3.648,1159 1.39,1160 3.998,1161 4.027,1162 3.94,1163 3.943,1164 7.474,1165 3.938,1166 3.792,1167 3.83,1168 3.716,1169 3.706,1170 6.351,1171 3.703,1172 3.781,1173 3.82,1174 3.679,1175 3.64,1176 4.924,1177 3.639,1178 3.513,1179 3.56,1180 3.386,1181 3.364,1182 4.741,1183 3.363,1184 3.276,1185 3.326,1186 3.115,1187 3.035,1188 4.622,1189 3.032,1190 3.149,1191 3.184,1192 3.034,1193 2.913,1194 4.245,1195 2.936,1196 2.87,1197 2.929,1198 2.687,1199 2.735,1200 3.904,1201 2.715,1202 2.854,1203 2.925,1204 2.664,1205 2.631,1206 3.792,1207 2.625,1208 0.175,1209 0.149,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.727,1216 0.094,1217 6.498,1218 0.407,1219 4.005,1220 0.12,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.002,1226 1.975,1227 1.951,1228 2.083,1229 2.051,1230 1.355,1231 2.063,1232 1.787,1233 1.75,1234 1.97,1235 1.93,1236 1.167,1237 1.94,1238 1.753,1239 1.711,1240 1.906,1241 1.893,1242 0.97,1243 1.901,1244 1.489,1245 1.444,1246 1.722,1247 1.693,1248 0.909,1249 1.706,1250 1.218,1251 1.153,1252 1.555,1253 1.516,1254 0.609,1255 1.52,1256 1.096,1257 1.047,1258 1.36,1259 1.32,1260 0.512,1261 1.322,1262 0.886,1263 0.821,1264 1.181,1265 1.139,1266 0.318,1267 1.128,1268 0.791,1269 0.738,1270 1.141,1271 1.062,1272 0.218,1273 1.107,1274 3.932,1276 5.165,1278 6.6,1280 8.127,1282 9.7,1284 1.533,1289 9.165,1290 2.478,1292 4.978,1294 -0.443,1300 28.961,1301 65.83,1302 159.175,1303 213.15,1304 234.801,1305 240.311,1306 240.311,1307 50.492,1308 6.284,1309 59.42,1310 59.42,1311 12,1312 11.9,1313 3.907,1314 3.17,1315 48.288,1316 86,1317 90,1318 0.263,1319 183.194,1320 324.29,1321 438.754,1322 3530,1324 17.2,1325 0.717,1326 0.579,1327 17.2,1328 13.89,1329 11.72,1330 0.469,1331 0.324,1332 8.004,1333 11.341,1334 7.788,1335 6.533,1336 11.72,1337 8.098,1338 9.537,1339 0.308,1340 0.182,1341 9.537,1342 5.647,1343 7.475,1344 0.197,1345 0.102,1346 7.475,1347 3.88,1348 5.949,1349 0.132,1350 0.058,1351 5.949,1352 2.632,1353 4.625,1354 0.091,1355 0.034,1356 4.625,1357 1.717,1358 0.414,1359 73.179,1360 0.246,1361 23.656,1362 0.715,1363 112,1364 337.266,1365 120.03,1366 324.063,1367 425.53,1368 302,1369 125,1370 287.507,1371 132.147,1372 296.8,1373 421.15,1374 276,1375 7.387} {0 CHEMBL330187,1 1.519,2 9.091,3 3.839,4 14.739,5 83.924,6 7.484,7 0.522,8 3.754,9 3.862,10 3.3,11 3.337,12 4.95,13 3.305,14 4.241,15 4.399,16 3.582,17 3.679,18 5.496,19 3.614,20 4.519,21 4.742,22 3.565,23 3.78,24 5.589,25 3.682,26 4.479,27 4.703,28 3.529,29 3.75,30 5.52,31 3.647,32 4.495,33 4.706,34 3.571,35 3.787,36 5.563,37 3.686,38 4.581,39 4.814,40 3.547,41 3.781,42 5.664,43 3.669,44 4.534,45 4.788,46 3.392,47 3.649,48 5.636,49 3.522,50 4.349,51 4.617,52 3.186,53 3.419,54 5.404,55 3.295,56 0.035,57 0.578,58 7.697,59 3.957,60 11.238,61 4.817,62 0.162,63 0.914,64 13.745,65 6.379,66 39.391,67 8.141,68 0.267,69 1.135,70 20.775,71 8.362,72 58.66,73 10.759,74 0.218,75 1.078,76 19.734,77 8.09,78 48.369,79 10.598,80 0.204,81 1.112,82 19.589,83 8.156,84 46.103,85 10.618,86 0.253,87 1.218,88 22.175,89 8.593,90 52.421,91 11.336,92 0.361,93 1.222,94 22.23,95 8.176,96 66.672,97 10.69,98 0.229,99 0.952,100 18.739,101 6.835,102 47.952,103 9.048,104 16,105 29,106 0.271,107 0.609,108 0.781,109 0.886,110 0.912,111 0.912,112 3.146,113 0.946,114 -4.54,115 -4.47,116 -4.2,118 45,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 1,186 3,191 1,194 15,195 1,198 3,203 1,206 14,207 1,210 4,215 1,218 13,219 1,222 3,227 1,229 10,230 1,234 3,239 1,242 7,243 2,247 3,252 2,255 3,256 3,259 3,260 1,264 3,267 1,268 2,270 808,271 14.811,272 14.811,273 14.811,274 14.811,275 14.811,276 12.918,277 7.195,278 9.313,279 14.944,280 11.398,281 11.398,282 11.398,283 11.398,284 11.398,285 8.666,286 2.555,287 4.478,288 11.619,289 3.803,290 1.901,291 0.938,292 0.35,293 0.2,294 0.2,295 3.81,298 1,299 1,300 1,301 410,302 3.536,306 162.572,313 1.281,314 25.504,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48,326 200,327 4.387,328 3.596,329 6.506,330 4.019,331 3.023,332 3.981,333 2.341,334 10.213,335 3.011,336 3.876,337 3.087,338 5.373,339 3.416,340 2.45,341 3.453,343 6.875,344 2.364,345 3.55,346 2.806,347 4.846,348 3.24,349 2.235,350 2.81,352 5.402,353 2.222,354 3.45,355 2.156,356 4.659,357 2.973,358 2.012,359 2.71,361 5.183,362 1.923,363 2.987,364 1.928,365 4.098,366 2.65,367 1.658,368 2.155,370 3.745,371 1.635,372 2.757,373 1.538,374 3.635,375 2.424,376 1.455,377 1.806,379 3.113,380 1.404,381 2.65,382 1.307,383 3.485,384 2.177,385 1.189,386 1.705,388 2.615,389 1.171,390 2.5,391 1.209,392 3.372,393 1.999,394 1,395 1.5,397 2.282,398 0.995,399 2.391,400 1,401 3.247,402 1.955,403 1,404 1.292,406 2.136,407 0.953,408 1.652,409 0.73,410 2.837,411 1.446,412 0.447,413 0.521,415 1.027,416 0.444,417 0.988,418 0.427,419 2.311,420 0.741,421 -0.26,422 -0.285,424 -0.581,425 -0.257,426 0.893,427 0.19,428 2.192,429 0.488,430 -0.412,431 -0.515,433 -0.92,434 -0.356,435 0.687,436 0.026,437 2,438 0.242,439 -0.73,440 -0.979,442 -1.714,443 -0.706,444 0.574,445 -0.703,446 1.607,447 0.122,448 -0.885,449 -1.067,451 -2,452 -0.86,453 0.5,454 -0.718,455 1.555,456 -0.017,457 -1,458 -1.389,460 -2.192,461 -0.973,462 10.352,463 0.471,464 0.421,465 0.019,466 27.75,467 1.261,468 15,469 0.682,470 12.75,471 0.58,472 15.919,473 0.724,474 23.848,475 0.596,476 19.389,477 0.881,478 5.633,479 0.256,480 5.032,481 0.229,482 0.092,484 0.241,486 1,487 0.637,488 0.982,489 0.781,490 1.015,491 0.621,492 0.952,493 0.502,494 1.053,495 0.888,496 1.135,497 0.454,498 1.105,499 0.898,500 0.923,501 0.973,502 0.936,503 0.915,504 0.967,505 0.748,506 0.913,507 0.922,508 0.967,509 0.754,510 0.984,511 0.757,512 0.993,513 0.986,514 1.056,515 0.764,516 1.073,517 0.837,518 1.056,519 1.032,520 1.067,521 0.792,522 1.086,523 1.005,524 1.092,525 1.101,526 1.048,527 1.001,528 1.082,529 0.954,530 1.057,531 0.968,532 1.012,533 0.94,534 0.989,535 3.5,536 0.108,537 1.778,538 1.188,539 0.653,540 0.417,541 0.322,542 0.189,543 0.209,544 0.131,545 4687,546 15575,547 1.995,548 45,549 6,550 7,552 2,553 1,554 2,558 1.648,559 1.886,560 3.154,561 -0.354,563 1,565 1,567 60.76,568 1.519,569 3.421,570 4.384,571 4.972,572 5.122,573 5.122,574 2.478,575 4.005,576 4.425,577 3.356,578 775.133,579 7.623,580 8865.75,582 1,583 1,584 1,585 212.877,586 1.293,587 4.398,588 0.152,589 0.01,590 0.061,591 0.042,592 0.024,593 0.015,594 0.012,595 0.009,596 0.012,597 0.009,598 0.347,599 0.67,600 1,601 1.811,602 102.007,603 -0.042,604 -0.005,605 0.003,606 0.038,607 -0.045,608 0.03,609 0.119,610 -0.098,611 -0.049,612 -0.115,613 0.154,614 -0.118,615 -0.081,616 0.024,617 -0.032,618 0.06,619 -0.084,620 0.031,621 -0.039,622 -0.017,623 0.001,624 0.028,625 -0.045,626 0.023,627 -0.053,628 -0.081,629 -0.078,630 -0.061,631 -0.067,632 -0.075,633 -0.061,634 -0.115,635 -0.088,636 -0.097,637 -0.043,638 -0.099,639 -0.025,640 0.013,641 -0.098,642 -0.075,643 -0.061,644 -0.098,645 -0.028,646 -0.039,647 0.046,648 -0.046,649 -0.04,650 0.009,651 2.443,652 5.467,653 0.545,654 18.975,655 1.006,656 1.125,657 3.312,658 10.967,659 0.668,660 3.178,661 3.401,662 3.555,663 3.761,664 3.932,665 3.871,666 3.912,667 3.932,668 3.85,669 3.664,670 5.742,671 0.639,672 299.37,673 3.178,674 4.654,675 5.442,676 6.271,677 7.086,678 7.926,679 8.755,680 9.602,681 10.438,682 11.289,683 2.5,693 1,699 8,700 1,704 3,706 12,723 1,724 40,726 14,727 1,728 23,730 41,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,770 1,772 18,773 4,774 1,775 4,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,838 1,840 22,845 1,846 4,861 1,862 5,864 1,865 1,869 11.667,870 6.96,871 5.056,872 2.455,874 2.096,875 1.338,876 0.931,877 5.995,878 8.288,879 3.466,880 3.97,881 4.443,882 4.965,883 5.467,884 5.523,885 5.861,886 6.096,887 6.248,888 6.352,889 0.833,890 28,891 8.121,893 3.337,894 8.061,895 15.22,897 11.943,899 2.561,900 56.333,904 200.109,905 114.154,906 16.786,908 67.828,909 14.96,911 114.154,912 267.937,913 31.746,915 10.138,916 66.334,917 109.066,918 36.773,919 14.96,920 176.567,922 200.109,923 130.94,924 82.788,927 215.069,928 67.828,931 28.233,932 76.445,933 26.262,935 215.069,936 84.614,937 114.154,940 200.109,941 29.726,942 84.429,944 99.574,945 200.109,946 99.574,947 114.154,949 0.554,950 0.295,951 0.16,952 0.089,953 11,954 5,955 0.171,956 7,958 1,959 3.464,960 155.678,962 12,963 98.107,968 16.066,969 8.209,970 5.2,972 99.574,973 13.66,974 4.109,978 1.44,980 42.683,981 413.837,982 31,987 10.511,989 2.021,991 0.143,994 40.222,995 44.994,996 0.285,997 0.643,998 0.824,999 0.934,1000 0.962,1001 0.962,1002 4.635,1003 1,1004 5.371,1005 2.615,1006 4.078,1007 4.654,1008 2.258,1009 6.071,1010 4.042,1011 5.801,1012 1,1013 6.853,1014 2.282,1015 3.434,1016 4.182,1017 2.243,1018 6.804,1019 3.366,1020 7.062,1021 0.447,1022 8.444,1023 2.136,1024 5.541,1025 6.726,1026 3.628,1027 9.904,1028 5.484,1029 8.36,1030 -0.26,1031 10.105,1032 1.027,1033 5.74,1034 7.068,1035 4.112,1036 11.589,1037 5.666,1038 9.69,1039 -0.412,1040 11.816,1041 -0.581,1042 7.296,1043 9.076,1044 5.201,1045 14.192,1046 7.227,1047 11.046,1048 -0.73,1049 13.565,1050 -0.92,1051 7.933,1052 9.845,1053 5.889,1054 16.262,1055 7.859,1056 12.422,1057 -0.885,1058 15.341,1059 -1.714,1060 9.233,1061 11.579,1062 6.849,1063 18.691,1064 9.16,1065 3.023,1066 -1,1067 17.139,1068 -2,1069 10.102,1070 12.593,1071 7.625,1072 20.914,1073 10.03,1074 2.45,1075 10.213,1076 18.953,1077 -2.192,1078 11.285,1079 14.173,1080 8.526,1081 23.279,1082 11.212,1083 2.235,1084 6.875,1085 20.78,1086 3.981,1087 12.272,1088 15.333,1089 9.342,1090 25.562,1091 12.202,1092 2.012,1093 5.402,1094 22.616,1095 3.453,1096 13.405,1097 16.825,1098 10.216,1099 27.902,1100 13.333,1101 1.658,1102 5.183,1103 24.46,1104 2.81,1105 14.452,1106 18.073,1107 11.051,1108 30.209,1109 14.381,1110 1.455,1111 3.745,1112 26.31,1113 2.71,1114 15.564,1115 19.514,1116 11.912,1117 32.539,1118 15.492,1119 1.189,1120 3.113,1121 28.165,1122 2.155,1123 16.64,1124 20.814,1125 12.755,1126 34.856,1127 16.568,1128 4797,1129 8820,1130 15.197,1131 26.705,1132 33.446,1133 33.703,1134 33.681,1135 33.034,1136 32.935,1137 43.864,1138 4.682,1139 85.18,1140 32.247,1141 5.245,1142 5.596,1143 6.308,1144 5.055,1145 5.023,1146 6.981,1147 3.925,1148 17.001,1149 5.011,1150 10.554,1151 1.454,1152 1.465,1153 1.464,1154 1.436,1155 1.432,1156 1.907,1157 0.204,1158 3.703,1159 1.402,1160 4.001,1161 4.028,1162 3.951,1163 3.941,1164 8.201,1165 3.94,1166 3.796,1167 3.834,1168 3.736,1169 3.704,1170 7.474,1171 3.706,1172 3.725,1173 3.775,1174 3.599,1175 3.586,1176 6.351,1177 3.578,1178 3.461,1179 3.496,1180 3.363,1181 3.301,1182 4.917,1183 3.306,1184 3.154,1185 3.187,1186 3.049,1187 2.971,1188 4.644,1189 2.982,1190 2.897,1191 2.956,1192 2.807,1193 2.733,1194 4.229,1195 2.734,1196 2.824,1197 2.887,1198 2.641,1199 2.631,1200 3.918,1201 2.622,1202 2.768,1203 2.847,1204 2.618,1205 2.589,1206 3.793,1207 2.592,1208 0.191,1209 0.156,1210 0.283,1211 0.175,1212 0.131,1213 4.387,1214 0.173,1215 3.596,1216 0.102,1217 6.506,1218 0.444,1219 4.019,1220 0.131,1221 3.023,1222 3.981,1223 2.341,1224 10.213,1225 3.011,1226 1.971,1227 1.948,1228 2.072,1229 2.051,1230 1.326,1231 2.058,1232 1.779,1233 1.745,1234 1.948,1235 1.897,1236 1.142,1237 1.911,1238 1.717,1239 1.665,1240 1.894,1241 1.886,1242 0.934,1243 1.894,1244 1.419,1245 1.379,1246 1.641,1247 1.623,1248 0.834,1249 1.622,1250 1.1,1251 1.062,1252 1.321,1253 1.32,1254 0.455,1255 1.314,1256 0.859,1257 0.804,1258 1.115,1259 1.069,1260 0.217,1261 1.083,1262 0.791,1263 0.73,1264 1.091,1265 1.063,1266 0.151,1267 1.07,1268 0.751,1269 0.692,1270 1.027,1271 0.985,1272 0.085,1273 1.005,1274 3.85,1276 5.094,1278 6.526,1280 8.052,1282 9.63,1286 13.467,1289 8.643,1290 2.338,1300 25.576,1301 60.76,1302 136.838,1303 175.367,1304 198.877,1305 204.877,1306 204.877,1307 48.297,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.85,1313 3.907,1314 3.17,1315 42.048,1316 69,1317 86,1318 0.277,1319 161.212,1320 286.97,1321 385.116,1322 3097,1323 2.5,1324 15.786,1325 0.718,1326 0.555,1327 14.916,1328 12.205,1329 10.665,1330 0.464,1331 0.315,1332 7.177,1333 10.323,1334 7.041,1335 5.868,1336 10.271,1337 7.249,1338 9.126,1339 0.315,1340 0.173,1341 8.492,1342 5.009,1343 6.657,1344 0.196,1345 0.097,1346 6.33,1347 3.301,1348 5.398,1349 0.129,1350 0.054,1351 5.09,1352 2.247,1353 4.234,1354 0.085,1355 0.03,1356 4.034,1357 1.48,1358 0.431,1359 66.509,1360 0.257,1361 21.895,1362 0.77,1363 104,1364 373.641,1365 113.647,1366 337.572,1367 437,1368 312,1369 115,1370 298.113,1371 122.067,1372 297.861,1373 423.91,1374 280,1375 7.26} {0 CHEMBL330440,1 1.58,2 9.625,3 3.528,4 12.447,5 91.032,6 7.771,7 0.48,8 3.817,9 3.92,10 3.395,11 3.367,12 5.07,13 3.348,14 4.294,15 4.439,16 3.677,17 3.722,18 5.677,19 3.671,20 4.564,21 4.773,22 3.683,23 3.839,24 5.668,25 3.758,26 4.581,27 4.789,28 3.663,29 3.824,30 5.707,31 3.743,32 4.569,33 4.767,34 3.695,35 3.85,36 5.697,37 3.77,38 4.647,39 4.867,40 3.663,41 3.852,42 5.751,43 3.757,44 4.621,45 4.853,46 3.597,47 3.756,48 5.731,49 3.662,50 4.547,51 4.783,52 3.484,53 3.563,54 5.8,55 3.488,56 0.149,57 0.568,58 7.752,59 3.899,60 11.968,61 4.774,62 0.301,63 0.873,64 13.79,65 6.384,66 68.878,67 8.17,68 0.313,69 1.072,70 20.787,71 8.257,72 54.882,73 10.972,74 0.37,75 1.065,76 21.527,77 8.313,78 71.097,79 10.882,80 0.31,81 1.084,82 20.466,83 8.265,84 57.053,85 10.827,86 0.367,87 1.162,88 23.017,89 8.583,90 60.647,91 11.609,92 0.377,93 1.117,94 22.955,95 8.124,96 55.685,97 11.143,98 0.524,99 0.963,100 22.613,101 7.113,102 89.148,103 9.605,104 26,105 32,106 0.276,107 0.617,108 0.777,109 0.875,110 0.9,111 0.9,112 3.228,113 0.918,114 -4.16,115 -4.1,116 -3.88,118 42.9,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,162 2,163 1,167 1,168 13,169 1,171 1,172 5,175 1,177 1,180 15,181 1,186 9,191 1,194 15,195 1,198 9,203 1,206 14,207 1,210 10,215 1,218 13,219 1,222 9,227 1,229 10,230 1,233 1,234 9,239 1,242 7,243 2,246 2,247 8,252 2,255 3,256 3,259 6,260 1,264 3,267 1,268 2,270 1022,271 16.018,272 16.018,273 16.018,274 16.018,275 16.018,276 13.874,277 10.521,278 9.955,279 16.145,280 12.366,281 12.366,282 12.366,283 12.366,284 12.366,285 9.236,286 7.036,287 4.749,288 12.544,289 3.812,290 1.858,291 0.941,292 0.381,293 0.238,294 0.238,295 3.892,298 1,299 1,300 1,301 469,302 3.937,306 178.91,313 1.406,314 30.634,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 53,326 231,327 4.42,328 3.78,329 6.514,330 4.036,331 3.04,332 4.077,333 2.612,334 10.243,335 3.027,336 4.164,337 3.596,338 5.924,339 3.666,340 2.692,341 3.758,342 2.341,343 8.219,344 2.619,345 3.65,346 3.023,347 5.195,348 3.24,349 2.235,350 3.15,352 6.171,353 2.222,354 3.55,355 2.334,356 4.659,357 3.142,358 2.159,359 2.71,361 5.184,362 2.121,363 3.238,364 2.022,365 4.203,366 2.725,367 1.732,368 2.51,370 3.938,371 1.718,372 2.809,373 1.781,374 3.737,375 2.506,376 1.519,377 1.916,379 3.174,380 1.495,381 2.753,382 1.455,383 3.624,384 2.268,385 1.281,386 1.773,388 2.901,389 1.263,390 2.586,391 1.307,392 3.437,393 2,394 1,395 1.585,397 2.328,398 1,399 2.5,400 1.161,401 3.37,402 1.999,403 1,404 1.5,406 2.282,407 0.995,408 2.391,409 1,410 3.247,411 1.955,412 1,413 1.29,415 2.136,416 0.953,417 1.652,418 1,419 2.835,420 1.445,421 0.446,422 0.52,424 1.023,425 0.443,426 1,427 0.728,428 2.31,429 0.74,430 -0.262,431 -0.286,433 -0.586,434 -0.26,435 0.965,436 0.424,437 2.192,438 0.326,439 -0.659,440 -0.906,442 -1.536,443 -0.646,444 0.776,445 0.026,446 2,447 0.192,448 -0.789,449 -1.048,451 -1.869,452 -0.768,453 0.656,454 -0.467,455 1.615,456 0.117,457 -0.891,458 -1.137,460 -2,461 -0.869,462 11.133,463 0.464,464 0.511,465 0.021,466 32.25,467 1.344,468 18,469 0.75,470 14.25,471 0.594,472 16.732,473 0.697,474 26.067,475 0.621,476 23.911,477 0.996,478 6.455,479 0.269,480 5.12,481 0.213,482 0.12,484 0.26,487 0.495,488 1.064,489 0.744,490 0.991,491 0.583,492 0.944,493 0.4,494 1.155,495 0.852,496 1.148,497 0.358,498 1.109,499 0.712,500 0.982,501 0.898,502 0.989,503 0.66,504 0.986,505 0.864,506 0.968,507 0.96,508 0.976,509 0.874,510 0.992,511 0.768,512 1.092,513 0.976,514 1.084,515 0.759,516 1.082,517 0.775,518 1.103,519 1.017,520 1.08,521 0.71,522 1.095,523 0.781,524 1.072,525 1.002,526 1.093,527 0.727,528 1.088,529 1.088,530 0.942,531 1.029,532 0.957,533 1.147,534 0.972,535 4,536 0.108,537 2.222,538 1.313,539 0.733,540 0.597,541 0.444,542 0.283,543 0.267,544 0.182,545 5789,546 20929,547 1.972,548 42.9,549 6,550 7,552 2,553 1,554 2,558 1.674,559 1.846,560 3.241,561 -0.301,563 1,565 1,567 66.36,568 1.58,569 3.534,570 4.452,571 5.011,572 5.154,573 5.154,574 2.669,575 3.668,576 4.549,577 3.434,578 947.829,579 7.883,580 11501.2,581 1,582 1,584 1,585 226.477,586 1.384,587 4.513,588 0.16,589 0.008,590 0.069,591 0.041,592 0.024,593 0.019,594 0.015,595 0.01,596 0.012,597 0.01,598 0.368,599 0.33,600 1,601 1.876,602 114.622,603 0.137,604 0.095,605 0.021,606 0.08,607 -0.018,608 0.023,609 0.231,610 -0.079,611 -0.028,612 -0.093,613 0.26,614 -0.113,615 -0.037,616 0.008,617 0.02,618 0.031,619 -0.008,620 0.038,621 -0.083,622 0.002,623 -0.022,624 0.037,625 -0.082,626 0.023,627 -0.062,628 -0.094,629 -0.069,630 -0.063,631 -0.066,632 -0.069,633 -0.065,634 -0.108,635 -0.08,636 -0.09,637 -0.041,638 -0.087,639 -0.029,640 -0.08,641 -0.037,642 -0.128,643 -0.02,644 -0.089,645 -0.039,646 0.002,647 0.01,648 -0.024,649 -0.071,651 2.467,652 3.993,653 0.5,654 22.417,655 1.014,656 1.123,657 2.925,658 8.558,659 0.665,660 3.258,661 3.497,662 3.664,663 3.85,664 4.043,665 4.025,666 4.127,667 4.111,668 4.078,669 3.932,670 6.018,671 0.646,672 326.38,673 3.258,674 4.745,675 5.541,676 6.375,677 7.2,678 8.044,679 8.883,680 9.733,681 10.58,682 11.435,683 4.8,693 1,694 1,699 8,700 1,704 3,706 12,718 1,724 42,726 16,727 1,728 25,730 43,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 4,759 1,761 3,763 1,765 2,768 1,769 1,772 18,773 5,774 1,775 6,779 2,784 1,785 4,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 4,862 9.5,864 1,865 1,868 2,869 13,870 7.35,871 5.5,872 2.536,874 2.291,875 1.358,876 0.916,877 6.5,878 8.681,879 3.584,880 4.111,881 4.575,882 5.083,883 5.609,884 5.762,885 6.167,886 6.334,887 6.547,888 6.703,889 1,890 32,891 8.829,893 3.648,894 8.181,895 16.33,897 12.752,899 2.681,900 64.333,903 1,904 200.109,905 107.79,906 22.456,908 118.575,911 107.79,912 318.684,913 22.456,914 5.67,915 10.138,916 66.334,917 109.066,918 30.408,920 176.567,921 50.747,922 200.109,923 130.246,924 118.575,927 200.109,928 67.828,929 50.747,931 28.233,932 70.081,933 31.932,935 200.109,936 141.031,937 107.79,940 200.109,941 23.361,942 90.099,944 135.361,945 200.109,946 141.031,947 107.79,949 0.559,950 0.302,951 0.157,952 0.088,953 12,954 6,955 0.186,956 8,958 1,959 3.591,960 177.62,962 12,963 108.039,968 17.675,969 8.826,970 5.484,972 135.361,973 13.557,974 4.104,978 1.653,980 42.683,981 448.93,982 35,985 -0.419,987 32.54,989 1.984,991 0.062,994 42.582,995 47.156,996 0.293,997 0.655,998 0.826,999 0.929,1000 0.956,1001 0.956,1002 4.762,1003 1,1004 5.485,1005 2.901,1006 4.174,1007 4.796,1008 3.033,1009 6.209,1010 4.149,1011 5.947,1012 1,1013 6.989,1014 2.328,1015 3.611,1016 4.494,1017 2.946,1018 7.008,1019 3.571,1020 7.227,1021 1,1022 8.603,1023 2.282,1024 5.666,1025 6.917,1026 4.609,1027 10.086,1028 5.618,1029 8.546,1030 0.446,1031 10.286,1032 2.136,1033 5.943,1034 7.441,1035 5.015,1036 11.787,1037 5.883,1038 9.897,1039 -0.262,1040 12.015,1041 1.023,1042 7.458,1043 9.332,1044 6.334,1045 14.369,1046 7.39,1047 11.272,1048 -0.659,1049 13.777,1050 -0.586,1051 8.145,1052 10.252,1053 6.969,1054 16.428,1055 8.069,1056 12.666,1057 -0.789,1058 15.561,1059 -1.536,1060 9.42,1061 11.901,1062 8.122,1063 18.84,1064 9.337,1065 3.04,1066 -0.891,1067 17.363,1068 -1.869,1069 10.315,1070 13.029,1071 8.883,1072 21.047,1073 10.228,1074 2.692,1075 10.243,1076 19.178,1077 -2,1078 11.483,1079 14.556,1080 9.946,1081 23.398,1082 11.391,1083 2.235,1084 8.219,1085 21.002,1086 4.077,1087 12.481,1088 15.799,1089 10.78,1090 25.668,1091 12.386,1092 2.159,1093 6.171,1094 22.833,1095 3.758,1096 13.605,1097 17.262,1098 11.794,1099 27.999,1100 13.506,1101 1.732,1102 5.184,1103 24.67,1104 3.15,1105 14.655,1106 18.568,1107 12.672,1108 30.297,1109 14.554,1110 1.519,1111 3.938,1112 26.513,1113 2.71,1114 15.761,1115 19.997,1116 13.659,1117 32.621,1118 15.657,1119 1.281,1120 3.174,1121 28.359,1122 2.51,1123 16.837,1124 21.34,1125 14.565,1126 34.933,1127 16.731,1128 5955,1129 11436,1130 16.296,1131 27.921,1132 36.626,1133 37.84,1134 37.172,1135 36.227,1136 36.207,1137 49.578,1138 9.907,1139 95.198,1140 35.713,1141 5.278,1142 5.78,1143 6.316,1144 5.072,1145 5.04,1146 7.077,1147 4.612,1148 17.063,1149 5.027,1150 12.872,1151 1.465,1152 1.514,1153 1.487,1154 1.449,1155 1.448,1156 1.983,1157 0.396,1158 3.808,1159 1.429,1160 4.036,1161 4.062,1162 3.995,1163 3.954,1164 7.815,1165 3.956,1166 3.85,1167 3.886,1168 3.8,1169 3.723,1170 7.474,1171 3.73,1172 3.727,1173 3.776,1174 3.603,1175 3.587,1176 6.999,1177 3.579,1178 3.528,1179 3.554,1180 3.48,1181 3.314,1182 6.351,1183 3.328,1184 3.407,1185 3.437,1186 3.312,1187 3.046,1188 4.92,1189 3.122,1190 3.131,1191 3.167,1192 3.016,1193 2.931,1194 4.689,1195 2.951,1196 2.825,1197 2.888,1198 2.641,1199 2.636,1200 4.239,1201 2.624,1202 2.772,1203 2.85,1204 2.622,1205 2.604,1206 3.921,1207 2.608,1208 0.177,1209 0.151,1210 0.261,1211 0.161,1212 0.122,1213 4.42,1214 0.163,1215 3.78,1216 0.104,1217 6.514,1218 0.41,1219 4.036,1220 0.121,1221 3.04,1222 4.077,1223 2.612,1224 10.243,1225 3.027,1226 1.985,1227 1.963,1228 2.081,1229 2.103,1230 1.326,1231 2.084,1232 1.802,1233 1.768,1234 1.957,1235 1.964,1236 1.157,1237 1.948,1238 1.717,1239 1.665,1240 1.903,1241 1.886,1242 0.952,1243 1.901,1244 1.431,1245 1.392,1246 1.644,1247 1.682,1248 0.834,1249 1.643,1250 1.198,1251 1.167,1252 1.337,1253 1.584,1254 0.463,1255 1.526,1256 1.071,1257 1.031,1258 1.262,1259 1.306,1260 0.217,1261 1.301,1262 0.791,1263 0.731,1264 1.098,1265 1.063,1266 0.213,1267 1.079,1268 0.772,1269 0.712,1270 1.052,1271 0.987,1272 0.109,1273 1.013,1274 3.932,1276 5.187,1278 6.632,1280 8.167,1282 9.754,1289 8.673,1290 2.18,1300 27.116,1301 66.36,1302 148.438,1303 186.968,1304 210.477,1305 216.477,1306 216.477,1307 59.201,1308 6.39,1309 96.01,1310 96.01,1311 12,1312 11.991,1313 4.087,1314 3.459,1315 48.137,1316 79,1317 100,1318 0.278,1319 171.873,1320 306.84,1321 411.13,1322 3989,1324 17.364,1325 0.723,1326 0.545,1327 17.364,1328 13.091,1329 11.575,1330 0.463,1331 0.306,1332 7.559,1333 11.103,1334 7.425,1335 6.195,1336 11.575,1337 7.649,1338 10.025,1339 0.313,1340 0.166,1341 10.025,1342 5.306,1343 7.378,1344 0.194,1345 0.093,1346 7.378,1347 3.534,1348 5.789,1349 0.126,1350 0.052,1351 5.789,1352 2.378,1353 4.645,1354 0.083,1355 0.028,1356 4.645,1357 1.584,1358 0.431,1359 73.006,1360 0.248,1361 23.536,1362 0.774,1363 114,1364 410.647,1365 125.992,1366 393.626,1367 508.22,1368 360,1369 127,1370 356.144,1371 136.976,1372 355.361,1373 502.65,1374 332,1375 7.137} {0 CHEMBL330442,1 1.336,2 9.833,3 4.618,4 21.324,5 97.528,6 6.839,7 0.48,8 3.891,9 4.008,10 3.366,11 3.488,12 5.017,13 3.432,14 4.381,15 4.55,16 3.625,17 3.841,18 5.486,19 3.744,20 4.681,21 4.911,22 3.676,23 3.977,24 5.605,25 3.85,26 4.736,27 4.966,28 3.665,29 3.977,30 5.735,31 3.85,32 4.749,33 4.978,34 3.676,35 4,36 5.781,37 3.867,38 4.803,39 5.058,40 3.54,41 3.971,42 5.75,43 3.807,44 4.683,45 4.964,46 3.369,47 3.838,48 5.501,49 3.655,50 4.501,51 4.774,52 3.339,53 3.688,54 5.357,55 3.535,56 0.041,57 0.59,58 10.031,59 4.671,60 10.57,61 6.184,62 0.178,63 0.943,64 17.106,65 7.549,66 39.149,67 10.326,68 0.157,69 1.208,70 24.15,71 10.121,72 34.032,73 13.969,74 0.239,75 1.245,76 26.051,77 10.391,78 50.885,79 14.121,80 0.208,81 1.282,82 26.165,83 10.582,84 56.49,85 14.519,86 0.27,87 1.344,88 28.184,89 10.844,90 59.223,91 15.142,92 0.179,93 1.199,94 24.865,95 9.873,96 37.331,97 14.158,98 0.13,99 0.994,100 20.599,101 8.288,102 24.317,103 11.777,104 20,105 31,106 0.229,107 0.565,108 0.766,109 0.867,110 0.887,111 0.887,112 3.228,113 0.986,114 -4.76,115 -4.68,116 -4.39,118 44.7,120 4,121 1,132 1,133 2,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 20,181 2,186 4,191 2,194 20,195 2,198 4,203 2,206 19,207 2,210 5,215 2,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 2,247 3,252 2,255 10,256 3,259 4,260 1,264 3,267 9,268 3,270 932,271 16.441,272 16.441,273 16.441,274 16.441,275 16.441,276 14.468,277 7.638,278 10.394,279 16.511,280 12.331,281 12.331,282 12.331,283 12.331,284 12.331,285 9.502,286 3.407,287 4.84,288 12.431,289 4.219,290 2.261,291 1.089,292 0.5,293 0.383,294 0.383,295 3.895,299 1,300 1,301 483,302 4,306 185.202,313 1.306,314 19.298,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 50.5,326 236,327 4.369,328 3.726,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.002,336 3.885,337 3.024,338 5.909,339 3.72,340 2.718,341 3.298,343 8.127,344 2.712,345 3.736,346 2.278,347 5.247,348 3.27,349 2.278,350 3.037,352 6.4,353 2.259,354 3.278,355 2.247,356 4.223,357 2.792,358 1.802,359 2.58,361 4.056,362 1.782,363 2.866,364 1.937,365 3.895,366 2.563,367 1.567,368 1.908,370 3.353,371 1.552,372 2.781,373 1.606,374 3.587,375 2.395,376 1.393,377 1.842,379 2.88,380 1.387,381 2.727,382 1.35,383 3.555,384 2.3,385 1.317,386 1.713,388 2.87,389 1.293,390 2.5,391 1.317,392 3.315,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.996,408 2.46,409 1,410 3.247,411 1.956,412 1,413 1.319,415 2.13,416 0.953,417 2.011,418 0.809,419 2.922,420 1.607,421 0.608,422 0.788,424 1.23,425 0.604,426 1.248,427 0.441,428 2.4,429 1.052,430 0.054,431 0.062,433 0.109,434 0.054,435 0.787,436 0.218,437 2.198,438 0.419,439 -0.578,440 -0.712,442 -1.057,443 -0.575,444 0.719,445 -0.463,446 1.895,447 0.277,448 -0.705,449 -0.952,451 -1.547,452 -0.689,453 0.552,454 -0.703,455 1.571,456 0.103,457 -0.906,458 -1.137,460 -1.87,461 -0.88,462 11.567,463 0.482,464 0.366,465 0.015,466 29.5,467 1.229,468 16,469 0.667,470 13.5,471 0.563,472 18.762,473 0.782,474 25.633,475 0.545,476 21.104,477 0.879,478 5.968,479 0.249,480 5.752,481 0.24,482 0.101,484 0.216,487 0.751,488 1.103,489 0.898,490 1.037,491 0.749,492 0.993,493 0.464,494 1.143,495 1.005,496 1.142,497 0.453,498 1.13,499 0.766,500 1.001,501 0.932,502 1.006,503 0.818,504 0.992,505 1.209,506 0.957,507 1.035,508 0.964,509 1.221,510 0.983,511 1.03,512 1.07,513 1.053,514 1.058,515 0.993,516 1.061,517 1.108,518 1.001,519 1.118,520 0.998,521 1.077,522 1.048,523 0.607,524 0.957,525 0.948,526 0.968,527 0.583,528 0.987,529 0.575,530 0.906,531 0.819,532 0.924,533 0.574,534 0.897,535 3,536 0.116,537 2.222,538 1.375,539 0.702,540 0.25,541 0.199,542 0.26,543 0.263,544 0.169,545 6049,546 16108,547 1.996,548 48.9,549 8,550 11,552 2,553 1,554 1,558 1.672,559 1.895,560 3.267,561 -0.424,567 62.785,568 1.336,569 3.293,570 4.466,571 5.054,572 5.172,573 5.172,574 2.557,575 3.09,576 4.557,577 3.446,578 950.993,579 7.878,580 11800.8,582 1,585 261.066,586 1.236,587 4.528,588 0.12,589 0.006,590 0.072,591 0.043,592 0.023,593 0.008,594 0.008,595 0.012,596 0.012,597 0.007,598 0.31,599 0.5,600 1,601 2.011,602 115.382,603 -0.042,604 -0.002,605 0.009,606 0.032,607 -0.06,608 0.025,609 0.192,610 -0.081,611 -0.087,612 -0.108,613 0.175,614 -0.123,615 -0.009,616 -0.017,617 0.018,618 -0.003,619 -0.042,620 0.008,621 -0.11,622 0.012,623 -0.051,624 0.023,625 -0.107,626 -0.004,627 -0.075,628 -0.088,629 -0.084,630 -0.069,631 -0.025,632 -0.078,633 -0.133,634 -0.022,635 -0.136,636 -0.034,637 -0.13,638 -0.078,639 -0.002,640 0.011,641 0.007,642 0.001,643 -0.019,644 0.006,645 0.067,646 0.058,647 0.139,648 0.053,649 0.041,650 0.1,651 2.408,652 4.189,653 0.5,654 21,655 0.989,656 1.117,657 3.534,658 12.489,659 0.666,660 3.258,661 3.466,662 3.664,663 3.829,664 3.951,665 3.807,666 3.892,667 3.951,668 3.932,669 3.807,670 6.189,671 0.622,672 321.45,673 3.258,674 4.727,675 5.525,676 6.347,677 7.168,678 7.998,679 8.827,680 9.661,681 10.494,682 11.332,683 2.1,693 1,699 9,700 1,704 2,706 12,724 47,726 15,727 1,728 25,730 48,731 21,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 16,754 5,755 1,756 3,757 1,761 1,763 2,765 2,769 1,772 23,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,820 1,822 2,823 1,830 1,832 2,840 24,845 1,846 4,850 1,862 4.3,864 1,865 1,869 12.667,870 8.067,871 5.667,872 2.85,874 2.059,875 1.328,876 0.921,877 7.13,878 8.343,879 3.555,880 4.007,881 4.483,882 4.965,883 5.438,884 5.411,885 5.796,886 6.038,887 6.204,888 6.328,889 1,890 32,891 8.853,893 3.575,894 7.792,895 16.949,897 13.345,899 2.292,900 55,903 1,904 258.964,905 139.753,906 16.786,908 67.828,911 139.753,912 326.793,913 16.786,915 25.905,916 85.286,917 109.066,918 27.652,920 235.422,922 258.964,923 156.538,924 67.828,927 258.964,928 67.828,931 28.233,932 92.567,933 35.738,935 258.964,936 84.614,937 139.753,940 258.964,941 20.605,942 103.381,944 100.381,945 258.964,946 84.614,947 139.753,949 0.546,950 0.315,951 0.173,952 0.091,953 11,954 5,955 0.188,956 9,958 1,959 3.644,960 174.591,962 12,963 106.039,968 17.841,969 9.592,970 5.578,972 84.614,973 17.786,974 4.205,978 2.218,980 42.683,981 483.331,982 34,983 3.636,987 11.189,989 3.86,991 0.397,994 46.476,995 52.484,996 0.24,997 0.593,998 0.804,999 0.91,1000 0.931,1001 0.931,1002 4.718,1003 1,1004 5.442,1005 2.87,1006 4.143,1007 4.691,1008 2.258,1009 6.155,1010 4.129,1011 5.862,1012 1,1013 6.936,1014 2.136,1015 3.434,1016 4.06,1017 2.243,1018 6.94,1019 3.426,1020 7.108,1021 1,1022 8.545,1023 2.136,1024 5.617,1025 6.709,1026 3.628,1027 10.033,1028 5.597,1029 8.393,1030 0.608,1031 10.229,1032 2.13,1033 5.832,1034 6.961,1035 4.112,1036 11.749,1037 5.822,1038 9.715,1039 0.054,1040 11.962,1041 1.23,1042 7.403,1043 9.023,1044 5.201,1045 14.316,1046 7.381,1047 11.065,1048 -0.578,1049 13.729,1050 0.109,1051 8.064,1052 9.728,1053 5.889,1054 16.382,1055 8.051,1056 12.436,1057 -0.705,1058 15.519,1059 -1.057,1060 9.361,1061 11.495,1062 6.849,1063 18.779,1064 9.338,1065 3.006,1066 -0.906,1067 17.325,1068 -1.547,1069 10.241,1070 12.46,1071 7.625,1072 20.986,1073 10.224,1074 2.718,1075 10.173,1076 19.142,1077 -1.87,1078 11.414,1079 14.06,1080 8.526,1081 23.326,1082 11.391,1083 2.278,1084 8.127,1085 20.967,1086 3.943,1087 12.4,1088 15.184,1089 9.342,1090 25.592,1091 12.379,1092 1.802,1093 6.4,1094 22.799,1095 3.298,1096 13.519,1097 16.686,1098 10.216,1099 27.914,1100 13.495,1101 1.567,1102 4.056,1103 24.636,1104 3.037,1105 14.556,1106 17.907,1107 11.051,1108 30.206,1109 14.533,1110 1.393,1111 3.353,1112 26.477,1113 2.58,1114 15.654,1115 19.353,1116 11.912,1117 32.523,1118 15.628,1119 1.317,1120 2.88,1121 28.322,1122 1.908,1123 16.717,1124 20.633,1125 12.755,1126 34.829,1127 16.69,1128 6161,1129 10116,1130 16.583,1131 31.29,1132 36.307,1133 36.392,1134 36.733,1135 35.511,1136 35.488,1137 46.975,1138 4.682,1139 91.198,1140 35.186,1141 5.249,1142 5.726,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.002,1150 11.131,1151 1.452,1152 1.456,1153 1.469,1154 1.42,1155 1.42,1156 1.879,1157 0.187,1158 3.648,1159 1.407,1160 3.999,1161 4.028,1162 3.94,1163 3.944,1164 7.474,1165 3.939,1166 3.808,1167 3.848,1168 3.716,1169 3.71,1170 6.351,1171 3.705,1172 3.786,1173 3.827,1174 3.699,1175 3.683,1176 4.924,1177 3.679,1178 3.542,1179 3.602,1180 3.402,1181 3.429,1182 4.741,1183 3.414,1184 3.348,1185 3.387,1186 3.23,1187 3.194,1188 4.705,1189 3.19,1190 3.149,1191 3.182,1192 3.035,1193 2.965,1194 4.248,1195 2.976,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.927,1201 2.715,1202 2.838,1203 2.897,1204 2.654,1205 2.631,1206 3.795,1207 2.623,1208 0.175,1209 0.149,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.726,1216 0.094,1217 6.498,1218 0.407,1219 4.005,1220 0.12,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.002,1226 1.975,1227 1.951,1228 2.085,1229 2.051,1230 1.368,1231 2.063,1232 1.801,1233 1.76,1234 1.997,1235 1.943,1236 1.177,1237 1.961,1238 1.777,1239 1.738,1240 1.91,1241 1.893,1242 1.002,1243 1.902,1244 1.561,1245 1.504,1246 1.803,1247 1.717,1248 0.923,1249 1.749,1250 1.322,1251 1.276,1252 1.556,1253 1.522,1254 0.634,1255 1.525,1256 1.095,1257 1.058,1258 1.326,1259 1.319,1260 0.392,1261 1.313,1262 0.886,1263 0.821,1264 1.181,1265 1.082,1266 0.218,1267 1.107,1268 0.791,1269 0.732,1270 1.119,1271 1.062,1272 0.201,1273 1.086,1274 3.932,1276 5.165,1278 6.6,1280 8.127,1282 9.7,1289 9.197,1290 2.849,1294 -0.338,1300 29.246,1301 62.785,1302 154.779,1303 209.904,1304 237.556,1305 243.066,1306 243.066,1307 51.452,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.9,1313 4,1314 3.322,1315 48.288,1316 86,1317 90,1318 0.263,1319 185.863,1320 330.16,1321 445.266,1322 3530,1324 17.2,1325 0.717,1326 0.574,1327 17.2,1328 13.766,1329 11.72,1330 0.469,1331 0.329,1332 8.171,1333 11.503,1334 7.973,1335 6.694,1336 11.72,1337 8.217,1338 9.537,1339 0.308,1340 0.184,1341 9.537,1342 5.716,1343 7.475,1344 0.197,1345 0.104,1346 7.475,1347 3.963,1348 5.949,1349 0.132,1350 0.06,1351 5.949,1352 2.696,1353 4.625,1354 0.091,1355 0.034,1356 4.625,1357 1.741,1358 0.414,1359 71.972,1360 0.246,1361 23.656,1362 0.715,1363 112,1364 301.53,1365 117.816,1366 299.41,1367 398.48,1368 278,1369 125,1370 278.779,1371 129.821,1372 287.118,1373 408.32,1374 270,1375 7.301} {0 CHEMBL330592,1 1.489,2 9,3 4.466,4 19.949,5 91.617,6 7.337,7 0.478,8 3.811,9 3.921,10 3.406,11 3.442,12 4.911,13 3.36,14 4.321,15 4.491,16 3.737,17 3.826,18 5.41,19 3.708,20 4.587,21 4.789,22 3.709,23 3.927,24 5.592,25 3.781,26 4.757,27 5.001,28 3.658,29 3.929,30 5.749,31 3.761,32 4.626,33 4.865,34 3.656,35 3.913,36 5.502,37 3.727,38 4.607,39 4.858,40 3.493,41 3.831,42 5.507,43 3.636,44 4.453,45 4.719,46 3.29,47 3.665,48 5.272,49 3.473,50 4.276,51 4.51,52 3.451,53 3.601,54 5.206,55 3.442,56 0.035,57 0.558,58 9.65,59 4.54,60 8.639,61 5.712,62 0.18,63 0.914,64 18.128,65 7.723,66 39.736,67 9.846,68 0.11,69 1.137,70 23.983,71 9.934,72 26.653,73 12.757,74 0.389,75 1.253,76 30.738,77 11.124,78 73.507,79 13.855,80 0.2,81 1.195,82 28.799,83 10.678,84 34.972,85 13.557,86 0.198,87 1.154,88 26.898,89 10.076,90 39.771,91 13.004,92 0.168,93 0.981,94 23.22,95 8.648,96 28.215,97 11.318,98 0.09,99 0.83,100 17.851,101 7.276,102 15.582,103 9.433,104 23,105 31,106 0.262,107 0.623,108 0.801,109 0.858,110 0.858,111 0.858,112 3.146,113 1.078,114 -4.23,115 -4.17,116 -3.94,118 41.9,119 2,120 3,122 1,133 1,134 1,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 11,169 1,172 3,175 1,177 1,180 14,181 3,186 5,191 3,194 13,195 1,198 2,203 1,206 13,207 1,210 4,215 1,218 12,219 1,222 3,227 1,229 9,230 1,234 2,239 1,242 7,243 1,247 2,252 1,255 8,256 3,259 5,260 1,264 3,267 4,268 2,270 714,271 14.474,272 14.474,273 14.474,274 14.474,275 14.474,276 12.774,277 7.993,278 8.726,279 14.746,280 11.327,281 11.327,282 11.327,283 11.327,284 11.327,285 8.89,286 7.648,287 4.084,288 11.751,289 3.937,290 1.884,291 0.872,292 0.547,293 0.547,294 0.547,295 3.802,299 1,300 1,301 405,302 4.123,305 71.497,306 84.132,313 1.182,314 17.876,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 198,327 4.407,328 3.979,329 7.206,330 4.332,331 3.331,332 3.954,333 2.341,334 11.924,335 3.327,336 4.374,337 3.028,338 6.499,339 3.982,340 3.011,341 3.522,343 10.176,344 2.928,345 3.748,346 2.577,347 5.254,348 3.227,349 2.29,350 3.313,352 6.425,353 2.132,354 3.257,355 2.291,356 4.408,357 2.761,358 1.789,359 2.536,361 4.066,362 1.731,363 2.869,364 1.938,365 4.218,366 2.537,367 1.551,368 1.863,370 3.496,371 1.513,372 2.717,373 1.539,374 3.582,375 2.316,376 1.318,377 1.75,379 2.906,380 1.298,381 2.5,382 1.164,383 3.461,384 2.117,385 1.151,386 1.5,388 2.564,389 1.102,390 2.498,391 1,392 3.247,393 1.956,394 1,395 1.478,397 2.136,398 0.953,399 2.118,400 0.819,401 3.163,402 1.687,403 0.714,404 0.938,406 1.686,407 0.687,408 2.112,409 0.618,410 3,411 1.462,412 0.618,413 0.927,415 1.372,416 0.506,417 1.202,418 0.45,419 2.801,420 1.061,421 0.08,422 0.089,424 0.192,425 0.078,426 0.701,427 0.217,428 2.237,429 0.296,430 -0.685,431 -0.803,433 -1.583,434 -0.669,435 0.5,436 -0.665,437 2.075,438 0.021,439 -0.954,440 -1,442 -2,443 -0.925,444 0.45,445 -0.895,446 2,448 -1,449 -1.189,451 -2.281,452 -0.961,453 0.282,454 -0.962,455 2,457 -1,458 -1.286,460 -2.347,461 -0.975,462 10.9,463 0.495,464 0.581,465 0.026,466 25.5,467 1.159,468 13,469 0.591,470 12.5,471 0.568,472 20.187,473 0.918,474 23.9,475 0.556,476 16.255,477 0.739,478 4.658,479 0.212,480 5.847,481 0.266,482 0.153,483 0.046,484 0.183,487 0.749,488 1.07,489 0.816,490 0.941,491 0.734,492 0.967,493 0.45,494 0.972,495 0.881,496 0.948,497 0.399,498 0.95,499 0.752,500 1.201,501 0.99,502 1.163,503 0.744,504 1.17,505 1.651,506 0.765,507 0.971,508 0.745,509 1.738,510 0.868,511 0.735,512 1.039,513 1.119,514 1.091,515 0.723,516 1.017,517 0.817,518 1.045,519 1.069,520 1.043,521 0.759,522 1.059,523 0.686,524 0.908,525 1.003,526 0.965,527 0.629,528 0.961,529 0.618,530 0.953,531 0.773,532 0.904,533 0.611,534 0.938,535 4.5,536 0.102,537 2.889,538 1.09,539 0.591,540 0.337,541 0.266,542 0.349,543 0.347,544 0.219,545 4696,546 13378,547 1.959,548 48.8,549 12,550 5,551 1,552 2,553 1,558 1.646,559 1.821,560 3.128,561 -0.354,563 1,567 64.032,568 1.489,569 3.542,570 4.554,571 4.88,572 4.88,573 4.88,574 2.424,575 3.698,576 4.434,577 3.322,578 767.479,579 7.62,580 8839.72,582 1,584 1,585 233.329,586 1.546,587 4.371,588 0.196,589 0.009,590 0.093,591 0.038,592 0.023,593 0.013,594 0.012,595 0.018,596 0.017,597 0.01,598 0.429,599 0.33,600 1,601 1.866,602 102.085,603 -0.046,604 0.016,605 0.048,606 0.072,607 -0.066,608 0.039,609 0.205,610 0.084,611 0.068,612 0.08,613 0.223,614 0.058,615 0.003,616 -0.216,617 -0.093,618 -0.192,619 0.035,620 -0.179,621 -0.247,622 0.162,623 -0.026,624 0.182,625 -0.258,626 0.079,627 -0.025,628 -0.046,629 -0.033,630 -0.028,631 -0.045,632 -0.006,633 -0.065,634 -0.063,635 -0.085,636 -0.059,637 -0.052,638 -0.072,639 -0.03,640 0.065,641 -0.038,642 0.008,643 -0.03,644 0.032,645 0.058,646 0.026,647 0.148,648 0.066,649 0.044,650 0.059,651 2.401,652 4.135,653 0.5,654 17.041,655 0.992,656 1.116,657 3.004,658 9.026,659 0.679,660 3.178,661 3.466,662 3.638,663 3.714,664 3.761,665 3.738,666 3.807,667 3.85,668 3.761,669 3.555,670 5.73,671 0.626,672 315.47,673 3.178,674 4.691,675 5.501,676 6.347,677 7.18,678 8.028,679 8.868,680 9.717,681 10.559,682 11.409,683 2.3,693 1,699 7,700 1,703 1,704 2,706 11,724 43,726 13,728 23,730 44,731 18,733 9,736 2,739 2,740 2,745 2,746 1,751 3,753 12,754 6,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,836 2,840 22,845 1,846 3,852 1,856 1,862 4.7,864 1,865 1,869 12.083,870 8.15,871 4.931,872 2.579,874 1.844,875 1.302,876 0.909,877 5.759,878 7.946,879 3.45,880 3.966,881 4.444,882 4.877,883 5.172,884 5.336,885 5.647,886 5.85,887 5.976,888 6.021,889 0.833,890 29,891 8.133,893 3.335,894 7.784,895 15.615,897 12.509,899 2.284,900 50.25,903 1,904 235.422,905 138.296,906 16.786,908 67.828,910 31.278,911 107.019,912 303.25,913 16.786,914 17.65,915 7.604,916 55.03,917 109.066,918 24.466,919 13.13,920 231.386,922 235.422,923 123.804,924 67.828,925 31.278,927 235.422,928 67.828,931 43.349,932 54.193,933 26.262,934 31.278,935 235.422,936 84.614,937 138.296,940 235.422,941 47.521,942 90.776,944 84.614,945 235.422,946 84.614,947 138.296,949 0.577,950 0.33,951 0.149,952 0.07,953 13,954 6,955 0.159,956 7,958 1,959 3.402,960 157.566,962 11,963 96.107,964 1,968 16.729,969 7.573,970 4.682,972 84.614,973 13.831,974 4.192,977 1.704,978 2.313,980 42.683,981 458.332,982 30.5,987 11.135,989 2.195,991 0.443,994 42.669,995 47.989,996 0.274,997 0.653,998 0.839,999 0.899,1000 0.899,1001 0.899,1002 4.661,1003 1,1004 5.509,1005 2.564,1006 4.143,1007 4.649,1008 2.258,1009 6.326,1010 4.083,1011 5.864,1012 0.714,1013 7.093,1014 2.136,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.849,1020 7.168,1021 0.618,1022 8.808,1023 1.686,1024 5.802,1025 6.739,1026 3.628,1027 10.587,1028 5.717,1029 8.516,1030 0.08,1031 10.606,1032 1.372,1033 6.431,1034 7.266,1035 4.112,1036 12.693,1037 6.364,1038 9.9,1039 -0.685,1040 12.457,1041 0.192,1042 7.847,1043 9.115,1044 5.201,1045 15.272,1046 7.758,1047 11.308,1048 -0.954,1049 14.34,1050 -1.583,1051 8.817,1052 10.024,1053 5.889,1054 17.614,1055 8.739,1056 12.734,1057 -1,1058 16.245,1059 -2,1060 10.073,1061 11.629,1062 6.849,1063 20.099,1064 9.985,1065 3.331,1066 -1,1067 18.165,1068 -2.281,1069 11.172,1070 12.733,1071 7.625,1072 22.516,1073 11.091,1074 3.011,1075 11.924,1076 20.095,1077 -2.347,1078 12.375,1079 14.218,1080 8.526,1081 24.979,1082 12.29,1083 2.29,1084 10.176,1085 22.032,1086 3.954,1087 13.525,1088 15.429,1089 9.342,1090 27.423,1091 13.443,1092 1.789,1093 6.425,1094 23.974,1095 3.522,1096 14.713,1097 16.853,1098 10.216,1099 29.884,1100 14.63,1101 1.551,1102 4.066,1103 25.921,1104 3.313,1105 15.883,1106 18.125,1107 11.051,1108 32.34,1109 15.802,1110 1.318,1111 3.496,1112 27.871,1113 2.536,1114 17.068,1115 19.519,1116 11.912,1117 34.804,1118 16.988,1119 1.151,1120 2.906,1121 29.824,1122 1.863,1123 18.248,1124 20.827,1125 12.755,1126 37.267,1127 18.17,1128 4804,1129 8183,1130 14.792,1131 29.176,1132 34.676,1133 34.419,1134 34.375,1135 33.642,1136 33.707,1137 43.742,1138 4.682,1139 93.885,1140 32.514,1141 5.28,1142 5.979,1143 7.008,1144 5.395,1145 5.331,1146 6.954,1147 3.925,1148 18.673,1149 5.292,1150 11.784,1151 1.508,1152 1.496,1153 1.495,1154 1.463,1155 1.466,1156 1.902,1157 0.204,1158 4.082,1159 1.414,1160 3.984,1161 4.007,1162 4.233,1163 3.984,1164 7.473,1165 3.934,1166 3.816,1167 3.855,1168 3.806,1169 3.727,1170 6.351,1171 3.696,1172 3.755,1173 3.779,1174 3.714,1175 3.689,1176 4.919,1177 3.679,1178 3.503,1179 3.557,1180 3.388,1181 3.38,1182 4.67,1183 3.366,1184 3.116,1185 3.166,1186 3.009,1187 2.979,1188 4.264,1189 2.966,1190 3.022,1191 3.047,1192 2.844,1193 2.637,1194 4.119,1195 2.701,1196 2.874,1197 3.009,1198 2.682,1199 2.619,1200 3.811,1201 2.603,1202 2.78,1203 2.863,1204 2.625,1205 2.618,1206 3.689,1207 2.57,1208 0.192,1209 0.173,1210 0.313,1211 0.188,1212 0.145,1213 4.407,1214 0.172,1215 3.979,1216 0.102,1217 7.206,1218 0.518,1219 4.332,1220 0.145,1221 3.331,1222 3.954,1223 2.341,1224 11.924,1225 3.327,1226 1.908,1227 1.88,1228 2.048,1229 2.007,1230 1.359,1231 2.021,1232 1.797,1233 1.756,1234 1.962,1235 1.944,1236 1.113,1237 1.954,1238 1.577,1239 1.538,1240 1.78,1241 1.719,1242 0.933,1243 1.742,1244 1.448,1245 1.408,1246 1.647,1247 1.572,1248 0.72,1249 1.602,1250 1.31,1251 1.291,1252 1.43,1253 1.38,1254 0.625,1255 1.444,1256 0.963,1257 0.916,1258 1.417,1259 1.276,1260 0.469,1261 1.308,1262 0.934,1263 0.817,1264 1.175,1265 1.239,1266 0.448,1267 1.212,1268 0.833,1269 0.804,1270 1.065,1271 1.089,1272 0.202,1273 1.162,1274 3.85,1276 5.142,1277 2.398,1278 6.619,1279 4.443,1280 8.176,1281 6.293,1282 9.774,1284 3.556,1289 9.156,1290 2.386,1296 -0.661,1300 26.906,1301 64.032,1302 152.31,1303 195.82,1304 209.82,1305 209.82,1306 209.82,1307 46.348,1308 6.103,1309 50.19,1310 78.43,1311 11,1312 11.969,1313 3.807,1314 3.087,1315 42.177,1316 73,1317 66,1318 0.273,1319 174.072,1320 302.05,1321 416.495,1322 2712,1324 16.002,1325 0.727,1326 0.626,1327 16.355,1328 13.768,1329 10.505,1330 0.457,1331 0.359,1332 7.415,1333 9.803,1334 7.041,1335 5.931,1336 10.959,1337 8.263,1338 9.496,1339 0.306,1340 0.221,1341 10.079,1342 6.866,1343 7.432,1344 0.201,1345 0.124,1346 8.098,1347 4.596,1348 5.053,1349 0.126,1350 0.075,1351 5.735,1352 3.001,1353 3.527,1354 0.084,1355 0.041,1356 3.906,1357 1.711,1358 0.427,1359 69.225,1360 0.26,1361 21.836,1362 0.749,1363 108,1364 294.391,1365 136.098,1366 310.698,1367 412.57,1368 288,1369 122,1370 275.179,1371 145.858,1372 298.46,1373 426.08,1374 278,1375 7.432} {0 CHEMBL330614,1 1.358,2 9.773,3 3.885,4 15.09,5 88.476,6 6.87,7 0.522,8 3.808,9 3.923,10 3.299,11 3.388,12 4.898,13 3.339,14 4.316,15 4.491,16 3.533,17 3.721,18 5.354,19 3.634,20 4.53,21 4.756,22 3.54,23 3.83,24 5.456,25 3.709,26 4.537,27 4.758,28 3.485,29 3.816,30 5.475,31 3.688,32 4.568,33 4.797,34 3.52,35 3.858,36 5.461,37 3.722,38 4.644,39 4.894,40 3.449,41 3.854,42 5.523,43 3.696,44 4.584,45 4.859,46 3.252,47 3.733,48 5.379,49 3.547,50 4.421,51 4.712,52 3.096,53 3.514,54 5.219,55 3.334,56 0.024,57 0.545,58 9.167,59 4.274,60 7.003,61 5.636,62 0.223,63 0.862,64 16.409,65 6.809,66 25.177,67 9.184,68 0.155,69 1.036,70 20.794,71 8.59,72 27.015,73 11.809,74 0.195,75 1.033,76 21.102,77 8.534,78 34.149,79 11.618,80 0.154,81 1.087,82 21.555,83 8.91,84 27.613,85 12.368,86 0.19,87 1.166,88 23.663,89 9.303,90 34.822,91 13.139,92 0.165,93 1.082,94 22.498,95 8.833,96 28.866,97 12.681,98 0.128,99 0.896,100 19.309,101 7.492,102 22.392,103 10.776,104 12,105 28,106 0.238,107 0.548,108 0.732,109 0.828,110 0.867,111 0.867,112 3.145,113 0.983,114 -4.39,115 -4.32,116 -4.08,118 44.2,120 4,123 1,133 1,134 1,140 7,141 2,143 2,154 1,168 15,171 1,172 4,180 17,186 4,194 17,198 4,206 16,210 5,218 15,222 5,229 12,234 4,242 8,247 5,255 4,259 6,267 1,270 800,271 15.234,272 15.234,273 15.234,274 15.234,275 15.234,276 13.418,277 6.58,278 9.659,279 15.455,280 11.325,281 11.325,282 11.325,283 11.325,284 11.325,285 8.662,286 2.346,287 4.554,288 11.532,289 4.069,290 2.301,291 1.254,292 0.704,293 0.483,294 0.483,295 3.813,298 1,299 1,300 1,301 443,302 3.606,306 165.16,313 1.38,314 14.127,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 215,327 4.369,328 3.672,329 6.498,330 4.005,331 3.006,332 3.943,333 2.443,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.33,340 2.346,341 3.298,342 0.286,343 6.4,344 2.285,345 3.639,346 2.278,347 4.988,348 3.27,349 2.278,350 2.811,352 5.892,353 2.259,354 3.278,355 1.986,356 4.222,357 2.798,358 1.81,359 2.58,361 4.056,362 1.787,363 2.781,364 1.647,365 3.688,366 2.565,367 1.577,368 1.908,370 3.242,371 1.554,372 2.752,373 1.461,374 3.555,375 2.3,376 1.317,377 1.774,379 2.88,380 1.294,381 2.5,382 1.317,383 3.36,384 2.027,385 1.041,386 1.5,388 2.315,389 1.022,390 2.5,391 1.303,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.401,400 1,401 3.247,402 1.956,403 1,404 1.31,406 2.136,407 0.953,408 1.692,409 1,410 2.936,411 1.506,412 0.55,413 0.62,415 1.152,416 0.519,417 1.458,418 0.668,419 2.441,420 1.145,421 0.212,422 0.239,424 0.314,425 0.195,426 0.959,427 0.241,428 2.198,429 0.708,430 -0.312,431 -0.359,433 -0.656,434 -0.314,435 0.719,436 -0.334,437 1.88,438 0.277,439 -0.705,440 -0.952,442 -1.547,443 -0.688,444 0.539,445 -0.705,446 1.555,447 0.127,448 -0.883,449 -1.15,451 -1.956,452 -0.884,453 0.5,454 -0.763,455 1.555,457 -1,458 -1.5,460 -2.347,461 -0.974,462 10.567,463 0.48,464 0.277,465 0.013,466 27.75,467 1.261,468 15,469 0.682,470 12.75,471 0.58,472 15.911,473 0.723,474 23.633,475 0.55,476 18.557,477 0.844,478 5.656,479 0.257,480 5.153,481 0.234,482 0.079,484 0.189,487 0.69,488 1.2,489 0.86,490 1.124,491 0.562,492 1.029,493 0.852,494 1.027,495 1.017,496 1.017,497 0.629,498 1.032,499 0.839,500 0.966,501 0.943,502 0.968,503 0.899,504 0.97,505 1.09,506 0.986,507 1.083,508 0.995,509 1.333,510 1.036,511 0.762,512 1.06,513 1.011,514 1.046,515 0.793,516 1.057,517 0.805,518 1.06,519 1.071,520 1.053,521 0.777,522 1.083,523 0.62,524 1.02,525 1.006,526 1.036,527 0.624,528 1.057,529 0.574,530 0.955,531 0.856,532 0.978,533 0.609,534 0.949,535 2.5,536 0.074,537 1.778,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4895,546 13157,547 2.022,548 48.8,549 6,550 11,552 2,554 2,558 1.646,559 1.941,560 3.244,561 -0.851,563 1,565 1,567 58.38,568 1.358,569 3.126,570 4.172,571 4.722,572 4.944,573 4.944,574 2.613,575 3.425,576 4.426,577 3.428,578 791.854,579 7.612,580 9157.38,582 1,584 1,585 233.329,586 1.096,587 4.414,588 0.109,589 0.005,590 0.063,591 0.036,592 0.018,593 0.009,594 0.008,595 0.007,596 0.01,597 0.008,598 0.274,599 0.67,600 1,601 1.936,602 102.772,603 0.015,604 -0.092,605 0.039,606 -0.049,607 0.016,608 -0.01,609 0.114,610 0.022,611 -0.068,612 0.001,613 0.079,614 -0.046,615 -0.045,616 0.021,617 0.006,618 0.037,619 -0.031,620 0.028,621 -0.136,622 -0.001,623 -0.12,624 0.002,625 -0.175,626 -0.051,627 -0.053,628 -0.067,629 -0.071,630 -0.044,631 -0.077,632 -0.059,633 -0.072,634 -0.066,635 -0.119,636 -0.079,637 -0.062,638 -0.1,639 -0.015,640 -0.051,641 -0.058,642 -0.069,643 -0.033,644 -0.067,645 0.073,646 -0.015,647 0.106,648 -0.018,649 0.037,650 0.042,651 1.806,652 4.106,653 0.545,654 19.636,655 0.991,656 1.118,657 3.159,658 9.98,659 0.663,660 3.178,661 3.367,662 3.555,663 3.714,664 3.871,665 3.761,666 3.829,667 3.829,668 3.761,669 3.611,670 5.976,671 0.621,672 295.41,673 3.178,674 4.635,675 5.425,676 6.236,677 7.05,678 7.875,679 8.7,680 9.533,681 10.364,682 11.202,683 2.3,693 1,699 9,700 1,704 2,706 12,724 43,726 14,727 1,728 23,730 44,731 19,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 5,756 2,761 1,763 1,765 2,769 1,772 21,773 3,775 3,779 1,784 1,785 2,795 1,802 2,819 1,822 1,823 1,832 2,836 1,840 22,846 4,848 1,862 4.7,865 1,867 1,869 11.333,870 7.867,871 5.222,872 2.633,874 2.058,875 1.335,876 0.939,877 6.534,878 8.209,879 3.466,880 3.932,881 4.425,882 4.907,883 5.398,884 5.393,885 5.775,886 5.994,887 6.133,888 6.22,889 1,890 28,891 8.095,893 3.193,894 7.689,895 15.632,897 12.05,899 2.189,900 48.167,903 1,904 247.193,905 131.674,906 16.786,908 36.145,911 131.674,912 283.338,913 16.786,914 10.883,915 10.138,916 75.81,917 72.664,918 38.651,920 223.651,922 247.193,923 148.46,924 36.145,927 247.193,928 36.145,931 28.233,932 93.965,933 26.262,935 247.193,936 52.93,937 131.674,940 247.193,941 26.886,942 104.788,944 52.93,945 247.193,946 52.93,947 131.674,949 0.542,950 0.309,951 0.16,952 0.087,953 10,954 4,955 0.182,956 8,958 1,959 3.527,960 152.933,962 12,963 94.107,968 16.129,969 8.912,970 5.237,972 52.93,973 17.98,974 4.208,978 2.296,981 431.798,982 31,987 11.106,989 2.226,991 1.047,994 42.592,995 48.069,996 0.25,997 0.576,998 0.769,999 0.87,1000 0.911,1001 0.911,1002 4.615,1003 1,1004 5.323,1005 2.315,1006 4.043,1007 4.615,1008 2.402,1009 6.004,1010 4.015,1011 5.754,1012 1,1013 6.792,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.72,1019 3.209,1020 6.998,1021 0.55,1022 8.375,1023 2.136,1024 5.485,1025 6.654,1026 3.841,1027 9.833,1028 5.443,1029 8.283,1030 0.212,1031 10.034,1032 1.152,1033 5.602,1034 6.882,1035 4.269,1036 11.543,1037 5.577,1038 9.606,1039 -0.312,1040 11.749,1041 0.314,1042 7.228,1043 8.978,1044 5.486,1045 14.134,1046 7.182,1047 10.956,1048 -0.705,1049 13.502,1050 -0.656,1051 7.827,1052 9.669,1053 6.158,1054 16.221,1055 7.795,1056 12.328,1057 -0.883,1058 15.284,1059 -1.547,1060 9.157,1061 11.457,1062 7.208,1063 18.641,1064 9.113,1065 3.006,1066 -1,1067 17.088,1068 -1.956,1069 10.008,1070 12.418,1071 7.992,1072 20.87,1073 9.975,1074 2.346,1075 10.173,1076 18.907,1077 -2.347,1078 11.203,1079 14.031,1080 8.963,1081 23.23,1082 11.163,1083 2.278,1084 6.4,1085 20.738,1086 3.943,1087 12.181,1088 15.154,1089 9.802,1090 25.514,1091 12.149,1092 1.81,1093 5.892,1094 22.577,1095 3.298,1096 13.318,1097 16.665,1098 10.734,1099 27.85,1100 13.282,1101 1.577,1102 4.056,1103 24.424,1104 2.811,1105 14.359,1106 17.887,1107 11.599,1108 30.155,1109 14.327,1110 1.317,1111 3.242,1112 26.275,1113 2.58,1114 15.471,1115 19.338,1116 12.512,1117 32.482,1118 15.437,1119 1.041,1120 2.88,1121 28.131,1122 1.908,1123 16.542,1124 20.62,1125 13.391,1126 34.795,1127 16.511,1128 4979,1129 8228,1130 15.485,1131 28.529,1132 32.56,1133 33.48,1134 33.293,1135 32.185,1136 32.275,1137 42.965,1138 5.458,1139 81.393,1140 31.742,1141 5.252,1142 5.672,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 4.174,1148 16.907,1149 5.001,1150 8.783,1151 1.416,1152 1.456,1153 1.448,1154 1.399,1155 1.403,1156 1.868,1157 0.237,1158 3.539,1159 1.38,1160 3.996,1161 4.025,1162 3.939,1163 3.942,1164 7.432,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.705,1170 4.924,1171 3.702,1172 3.734,1173 3.78,1174 3.615,1175 3.59,1176 4.74,1177 3.583,1178 3.493,1179 3.527,1180 3.381,1181 3.315,1182 4.502,1183 3.323,1184 3.236,1185 3.299,1186 3.084,1187 3.03,1188 4.247,1189 3.039,1190 3.018,1191 3.091,1192 2.801,1193 2.825,1194 3.918,1195 2.804,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.793,1201 2.715,1202 2.777,1203 2.857,1204 2.629,1205 2.627,1206 3.674,1207 2.614,1208 0.19,1209 0.16,1210 0.283,1211 0.174,1212 0.131,1213 4.369,1214 0.171,1215 3.672,1216 0.106,1217 6.498,1218 0.442,1219 4.005,1220 0.13,1221 3.006,1222 3.943,1223 2.443,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.083,1229 2.05,1230 1.327,1231 2.062,1232 1.784,1233 1.748,1234 1.959,1235 1.898,1236 1.148,1237 1.917,1238 1.72,1239 1.669,1240 1.904,1241 1.89,1242 0.944,1243 1.898,1244 1.438,1245 1.399,1246 1.669,1247 1.669,1248 0.84,1249 1.665,1250 1.209,1251 1.149,1252 1.554,1253 1.462,1254 0.578,1255 1.497,1256 1.029,1257 0.953,1258 1.306,1259 1.232,1260 0.458,1261 1.258,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.775,1269 0.708,1270 1.077,1271 1.001,1272 0.217,1273 1.027,1274 3.85,1276 5.069,1278 6.491,1280 8.003,1282 9.566,1284 1.429,1290 3.22,1292 4.654,1300 26.719,1301 58.38,1302 134.405,1303 179.413,1304 203.065,1305 212.574,1306 212.574,1307 35.74,1308 6.151,1309 39.19,1310 39.19,1311 12,1312 11.771,1313 3.907,1314 3.17,1315 42.175,1316 73,1317 92,1318 0.264,1319 169.606,1320 298.2,1321 405.598,1322 3001,1324 15.623,1325 0.71,1326 0.585,1327 15.623,1328 12.866,1329 10.809,1330 0.47,1331 0.328,1332 7.465,1333 10.507,1334 7.256,1335 6.106,1336 10.809,1337 7.538,1338 8.611,1339 0.308,1340 0.18,1341 8.611,1342 5.047,1343 6.942,1344 0.204,1345 0.102,1346 6.942,1347 3.468,1348 5.235,1349 0.131,1350 0.058,1351 5.235,1352 2.304,1353 4.136,1354 0.088,1355 0.033,1356 4.136,1357 1.533,1358 0.415,1359 67.046,1360 0.254,1361 22.068,1362 0.717,1363 102,1364 295.116,1365 108.591,1366 285.393,1367 382.35,1368 268,1369 113,1370 266.294,1371 118.485,1372 273.65,1373 388.14,1374 256,1375 7} {0 CHEMBL33065,1 1.576,2 8.625,3 1.434,4 2.057,5 60.199,6 7.899,7 0.647,8 3.4,9 3.51,10 3.025,11 2.936,12 4.623,13 2.938,14 3.871,15 4.035,16 3.259,17 3.244,18 4.975,19 3.225,20 4.025,21 4.23,22 3.112,23 3.262,24 5.08,25 3.181,26 3.937,27 4.165,28 2.905,29 3.095,30 5.002,31 2.994,32 3.814,33 4.071,34 2.752,35 2.88,36 4.828,37 2.785,38 3.548,39 3.799,40 2.658,41 2.777,42 4.562,43 2.69,44 3.422,45 3.633,46 2.638,47 2.804,48 4.467,49 2.717,50 3.426,51 3.667,52 2.422,53 2.665,54 4.529,55 2.549,56 0.014,57 0.399,58 4.722,59 2.203,60 6.838,61 2.736,62 0.149,63 0.599,64 9.104,65 3.362,66 11.909,67 4.147,68 0.217,69 0.627,70 11.954,71 4.42,72 19.319,73 5.705,74 0.133,75 0.57,76 11.182,77 4.052,78 24.51,79 5.432,80 0.193,81 0.482,82 10.748,83 3.481,84 26.021,85 4.832,86 0.138,87 0.392,88 7.91,89 2.76,90 17.317,91 3.936,92 0.046,93 0.381,94 5.969,95 2.423,96 7.795,97 3.391,98 0.066,99 0.372,100 6.398,101 2.26,102 16.192,103 3.26,104 3,105 21,106 0.306,107 0.667,108 0.808,109 0.837,110 0.837,111 0.837,112 2.849,113 0.877,114 -2.52,115 -2.55,116 -2.49,118 44.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 4,171 1,172 3,180 4,185 1,186 4,194 2,198 3,209 1,210 2,221 1,222 2,234 3,247 2,258 1,259 1,270 262,271 11.146,272 11.146,273 11.146,274 11.146,275 11.146,276 9.709,277 11.691,278 6.889,279 11.481,280 8.343,281 8.343,282 8.343,283 8.343,284 8.343,285 6.172,286 10.456,287 3.217,288 8.872,289 3.179,290 1.32,291 0.593,292 0.444,293 0.444,294 0.444,295 3.507,299 1,300 1,301 289,302 2.345,305 48.818,306 55.195,313 1.5,314 11.182,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 34.5,326 138,327 4.102,328 4.057,329 5.483,330 3.626,331 2.656,332 3.689,333 2.035,334 7.343,335 2.583,336 3.92,337 2.903,338 5.351,339 3.452,340 2.535,341 3.478,342 0.86,343 6.993,344 2.319,345 3.658,346 2.633,347 5.105,348 3.137,349 2.189,350 2.886,352 6.263,353 2.064,354 2.975,355 2.346,356 3.609,357 2.353,358 1.421,359 1.781,361 3.013,362 1.318,363 2.707,364 1.618,365 3.414,366 2,367 1,368 1.5,370 2.275,371 1,372 2.5,373 1.19,374 3.21,375 1.862,376 0.96,377 1.249,379 2.078,380 0.86,381 2.156,382 1,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 2.118,391 0.618,392 2.749,393 1.474,394 0.532,395 0.923,397 0.857,398 0.499,399 1.254,400 0.4,401 2.4,402 0.83,403 -0.085,404 -0.108,406 -0.173,407 -0.077,408 0.716,409 -0.101,410 2,411 0.286,412 -0.643,413 -0.881,415 -1.315,416 -0.592,417 0.5,418 -0.662,419 1.663,421 -1,422 -1.5,424 -2.804,425 -1,426 0.055,427 -1,428 1.109,429 -0.307,430 -1.232,431 -1.521,433 -3,434 -1.138,435 -0.118,436 -1.246,437 1,438 -0.636,439 -1.584,440 -1.964,442 -3.824,443 -1.443,444 -0.233,445 -1.462,446 0.586,447 -0.704,448 -1.618,449 -2.427,451 -4.372,452 -1.486,453 -0.441,454 -1.618,455 0.534,456 -0.843,457 -1.769,458 -2.446,460 -4.478,461 -1.683,462 7.533,463 0.471,464 0.205,465 0.013,466 24,467 1.5,468 13.5,469 0.844,470 10.5,471 0.656,472 7.777,473 0.486,474 16.467,475 0.61,476 13.34,477 0.834,478 4.887,479 0.305,480 2.995,481 0.187,482 0.053,484 0.186,487 0.854,488 1.41,489 0.713,490 1.156,491 0.479,492 0.956,493 1.383,494 0.914,495 1.031,496 0.914,497 0.618,498 0.913,499 1.289,500 0.905,501 1.143,502 1.032,503 0.757,504 1.076,505 1.168,506 1.099,507 1.144,508 1.204,509 1.171,510 1.184,511 1.151,512 0.858,513 0.978,514 0.916,515 1.031,516 0.926,517 0.664,518 0.766,519 0.758,520 0.742,521 0.302,522 0.764,523 0.476,524 1.123,525 0.925,526 1.08,527 0.566,528 1.07,529 0.67,530 1.193,531 1.146,532 1.176,533 1.403,534 1.212,535 2.5,536 0.02,537 1.111,538 0.347,539 0.347,540 0.288,541 0.127,542 0.047,543 0.079,544 0.047,545 2294,546 7166,547 2.066,548 40.7,550 8,551 1,552 2,558 1.539,559 2,560 3.12,561 -0.734,565 1,567 42.554,568 1.576,569 3.434,570 4.162,571 4.31,572 4.31,573 4.31,574 2.561,575 3.031,576 3.972,577 3.248,578 389.738,579 6.633,580 3521.97,582 1,584 1,585 128.382,586 1.014,587 3.962,588 0.147,589 0.005,590 0.053,591 0.02,592 0.027,593 0.026,594 0.012,595 0.004,596 0.01,597 0.009,598 0.313,599 0.67,600 1,601 0.75,602 66.82,603 -0.022,604 -0.327,605 0.062,606 -0.181,607 0.083,608 -0.07,609 -0.198,610 0.138,611 -0.138,612 0.024,613 -0.065,614 -0.032,615 -0.094,616 0.008,617 -0.169,618 -0.045,619 -0.032,620 -0.11,621 -0.118,622 -0.207,623 -0.15,624 -0.225,625 -0.124,626 -0.198,627 0.049,628 0.009,629 0.096,630 0.054,631 -0.025,632 0.079,633 0.187,634 0.137,635 0.259,636 0.254,637 0.314,638 0.264,639 -0.006,640 -0.136,641 -0.044,642 -0.088,643 -0.02,644 -0.075,645 -0.086,646 -0.212,647 -0.206,648 -0.228,649 -0.291,650 -0.233,651 1.026,652 2.628,653 0.688,654 11.422,655 1.006,656 1.125,657 1.291,658 1.666,659 0.686,660 2.89,661 3.091,662 3.258,663 3.367,664 3.367,665 3.296,666 3.219,667 3.135,668 3.219,669 3.219,670 5.189,671 0.662,672 213.26,673 2.89,674 4.344,675 5.13,676 5.932,677 6.73,678 7.535,679 8.336,680 9.142,681 9.944,682 10.75,683 11.1,691 1,692 1,693 1,699 7,700 1,704 2,705 1,706 11,707 1,722 1,724 27,726 12,727 1,728 17,730 28,731 12,733 9,734 2,735 4,739 2,740 2,752 1,753 9,754 2,769 1,772 11,773 3,775 4,778 1,779 3,784 1,785 1,801 1,802 1,832 2,840 16,846 2,848 1,853 1,858 1,860 1,862 3.7,867 1,869 8,870 4.85,871 3.75,872 1.521,874 2.062,875 1.361,876 0.95,877 3.449,878 7.766,879 3.239,880 3.707,881 4.229,882 4.668,883 4.886,884 4.945,885 5.007,886 4.822,887 5.183,888 5.614,889 0.833,890 17,891 5.825,893 2.314,894 7.833,895 10.992,897 8.35,899 2.333,900 37.333,901 0.002,904 129.482,905 96.347,906 49.744,908 11,911 96.347,912 140.482,913 49.744,915 6.698,916 46.952,917 65.548,918 61.435,919 11.771,920 94.169,922 129.482,923 146.091,924 11,927 129.482,928 11,931 57.323,932 71.983,933 16.786,935 129.482,936 60.744,937 96.347,940 129.482,941 15.127,942 66.518,943 16.602,944 58.845,945 129.482,946 60.744,947 96.347,949 0.55,950 0.313,951 0.156,952 0.07,953 9,954 3,955 0.143,956 4,958 1,959 3.05,960 95.691,962 11,963 60,968 10.566,969 5.223,970 3.021,972 58.845,973 12.462,974 3.942,978 1.418,979 1.948,981 286.573,982 24.5,994 27.167,995 30.365,996 0.331,997 0.722,998 0.875,999 0.907,1000 0.907,1001 0.907,1002 4.404,1003 0.532,1004 5.03,1005 1.372,1006 3.761,1007 4.388,1008 2.376,1009 5.666,1010 3.648,1011 5.569,1012 -0.085,1013 6.475,1014 0.857,1015 2.944,1016 3.726,1018 6.188,1019 2.783,1020 6.82,1021 -0.643,1022 8.011,1023 -0.173,1024 5.187,1025 6.466,1026 3.594,1027 9.156,1028 4.969,1029 8.105,1030 -1,1031 9.599,1032 -1.315,1033 5.252,1034 6.742,1036 10.501,1037 4.978,1038 9.419,1039 -1.232,1040 11.221,1041 -2.804,1042 6.836,1043 8.771,1044 4.968,1045 12.876,1046 6.524,1047 10.751,1048 -1.584,1049 12.863,1050 -3,1051 7.313,1052 9.479,1054 14.548,1055 6.944,1056 12.097,1057 -1.618,1058 14.518,1059 -3.824,1060 8.596,1061 11.184,1062 6.379,1063 16.698,1064 8.199,1065 2.656,1066 -1.769,1067 16.182,1068 -4.372,1069 9.286,1070 12.121,1072 18.52,1073 8.835,1074 2.535,1075 7.343,1076 17.852,1077 -4.478,1078 10.419,1079 13.658,1080 7.797,1081 20.573,1082 9.944,1083 2.189,1084 6.993,1085 19.525,1086 3.689,1087 11.225,1088 14.728,1090 22.468,1091 10.701,1092 1.421,1093 6.263,1094 21.2,1095 3.478,1096 12.279,1097 16.17,1098 9.217,1099 24.477,1100 11.732,1101 1,1102 3.013,1103 22.878,1104 2.886,1105 13.151,1106 17.32,1108 26.41,1109 12.561,1110 0.96,1111 2.275,1112 24.557,1113 1.781,1114 14.163,1115 18.706,1116 10.638,1117 28.4,1118 13.551,1119 0.618,1120 2.078,1121 26.237,1122 1.5,1123 15.073,1124 19.906,1126 30.352,1127 14.423,1128 2294,1129 4127,1130 11.614,1131 18.517,1132 25.215,1133 26.266,1134 24.313,1135 23.855,1136 23.824,1137 32.866,1138 5.789,1139 60.388,1140 22.438,1141 4.972,1142 6.057,1143 5.141,1144 4.708,1145 4.656,1146 6.689,1147 4.069,1148 12.618,1149 4.583,1150 4.969,1151 1.483,1152 1.545,1153 1.43,1154 1.403,1155 1.401,1156 1.933,1157 0.341,1158 3.552,1159 1.32,1160 3.954,1161 4.007,1162 3.895,1163 3.851,1164 6.82,1165 3.854,1166 3.881,1167 3.919,1168 3.827,1169 3.697,1170 4.962,1171 3.726,1172 3.378,1173 3.429,1174 3.282,1175 3.171,1176 4.814,1177 3.186,1178 3.133,1179 3.191,1180 3.049,1181 2.973,1182 4.281,1183 2.986,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.674,1189 2.715,1190 2.616,1191 2.691,1192 2.5,1193 2.356,1194 3.67,1195 2.376,1196 2.472,1197 2.566,1198 2.272,1199 2.275,1200 3.343,1201 2.271,1202 2.342,1203 2.449,1204 2.162,1205 2.06,1206 3.218,1207 2.065,1208 0.241,1209 0.239,1210 0.323,1211 0.213,1212 0.156,1213 4.102,1214 0.217,1215 4.057,1216 0.12,1217 5.483,1218 0.432,1219 3.626,1220 0.152,1221 2.656,1222 3.689,1223 2.035,1224 7.343,1225 2.583,1226 1.894,1227 1.873,1228 1.994,1229 1.994,1230 1.108,1231 1.994,1232 1.629,1233 1.561,1234 1.825,1235 1.859,1236 1.027,1237 1.852,1238 1.31,1239 1.247,1240 1.5,1241 1.528,1242 0.527,1243 1.521,1244 1.156,1245 1.112,1246 1.335,1247 1.413,1248 0.316,1249 1.391,1250 1.005,1251 0.936,1252 1.181,1253 1.218,1254 0.218,1255 1.203,1256 0.886,1257 0.821,1258 1.143,1259 1.062,1260 0.089,1261 1.107,1262 0.445,1263 0.378,1264 0.84,1265 0.751,1267 0.772,1268 0.252,1269 0.116,1270 0.625,1271 0.576,1273 0.621,1274 3.555,1276 4.779,1277 2.398,1278 6.184,1279 4.443,1280 7.666,1281 6.26,1282 9.188,1290 1.349,1292 5.521,1298 8.628,1299 2.065,1300 17.886,1301 42.554,1302 92.73,1303 112.382,1304 116.382,1305 116.382,1306 116.382,1307 17.422,1308 5.704,1309 50.84,1310 50.84,1311 11,1312 11.342,1313 3.7,1314 3.087,1315 26.316,1316 50,1317 44,1318 0.26,1319 114.979,1320 192.95,1321 272.309,1322 1858,1324 11.217,1325 0.701,1326 0.544,1327 11.217,1328 8.706,1329 7.881,1330 0.464,1331 0.292,1332 4.884,1333 7.525,1334 4.794,1335 3.989,1336 7.881,1337 4.97,1338 6.376,1339 0.304,1340 0.156,1341 6.376,1342 3.285,1343 5.243,1344 0.21,1345 0.086,1346 5.243,1347 2.161,1348 3.923,1349 0.14,1350 0.047,1351 3.923,1352 1.314,1353 2.552,1354 0.091,1355 0.026,1356 2.552,1357 0.722,1358 0.417,1359 49.662,1360 0.293,1361 16.835,1362 0.678,1363 76,1364 252.671,1365 83.761,1366 245.829,1367 328.54,1368 230,1369 84,1370 232.793,1371 92.068,1372 236.723,1373 333.2,1374 221,1375 4.886} {0 CHEMBL331356,1 1.664,2 11.806,3 4.087,4 16.7,5 121.002,6 8.761,7 0.529,8 4.061,9 4.131,10 3.923,11 3.727,12 5.184,13 3.668,14 4.586,15 4.687,16 4.227,17 4.127,18 5.962,19 4.042,20 4.86,21 5.002,22 4.382,23 4.314,24 6.017,25 4.209,26 4.974,27 5.126,28 4.402,29 4.321,30 6.16,31 4.194,32 4.952,33 5.133,34 4.225,35 4.247,36 6.104,37 4.118,38 4.831,39 5.03,40 4.006,41 4.154,42 5.768,43 3.998,44 4.887,45 5.107,46 4.116,47 4.081,48 5.966,49 3.93,50 4.679,51 4.889,52 4.075,53 3.944,54 5.84,55 3.821,56 0.127,57 0.69,58 11.204,59 5.483,60 22.965,61 5.621,62 0.468,63 1.153,64 21.44,65 9.758,66 74.111,67 10.14,68 0.348,69 1.525,70 32.65,71 13.595,72 52.215,73 14.241,74 0.621,75 1.675,76 42.623,77 15.763,78 96.655,79 15.028,80 0.797,81 1.635,82 40.689,83 14.838,84 99.851,85 15.615,86 0.359,87 1.452,88 29.145,89 12.67,90 58.545,91 15.002,92 0.61,93 1.543,94 37.442,95 13.684,96 84.122,97 15.279,98 0.385,99 1.292,100 33.344,101 11.738,102 51.028,103 12.598,104 18,105 48,106 0.274,107 0.583,108 0.72,109 0.837,110 0.883,111 0.889,112 3.472,113 1.079,114 -4.23,115 -4.17,116 -3.94,118 44.2,124 3,126 1,140 12,141 4,142 2,154 1,163 1,167 1,168 14,169 1,171 1,172 4,175 3,177 1,180 17,181 2,186 10,191 5,194 13,195 1,198 9,199 1,203 3,206 11,207 1,209 1,210 6,213 1,215 4,218 11,227 3,229 9,230 3,234 7,237 1,239 7,242 5,243 2,247 8,252 4,255 5,256 2,258 2,259 10,264 2,265 1,267 10,270 1769,271 20.852,272 20.852,273 20.852,274 20.852,275 20.852,276 18.268,277 17.155,278 12.334,279 21.336,280 16.783,281 16.783,282 16.783,283 16.783,284 16.783,285 12.809,286 16.418,287 5.803,288 17.582,289 4.036,290 2.162,291 1.334,292 0.622,293 0.346,294 0.308,295 4.168,299 1,300 1,301 790,302 4.062,306 230.663,307 79.793,311 251.67,313 1.463,314 42.333,317 1,318 0.83,319 1,320 0.6,321 0.5,322 1,323 1,324 0.85,325 67.5,326 366,327 4.842,328 4.684,329 7.292,330 4.289,331 3.372,332 4.694,333 3.691,334 12.402,335 3.092,336 4.482,337 4.566,338 6.803,339 4.169,340 3.203,341 4.08,342 1.437,343 11.24,344 3.06,345 4.172,346 3.583,347 6.141,348 3.79,349 2.796,350 3.779,351 1.151,352 8.984,353 2.774,354 3.83,355 3.307,356 5.842,357 3.465,358 2.475,359 3.206,360 0.462,361 7.888,362 2.438,363 3.557,364 2.837,365 5.242,366 3.051,367 2.123,368 3.053,370 6.236,371 2.039,372 3.289,373 2.739,374 4.927,375 3.013,376 2.043,377 2.422,379 5.388,380 1.898,381 2.936,382 2.067,383 4.264,384 2.507,385 1.574,386 2.11,388 3.678,389 1.479,390 2.819,391 1.965,392 3.968,393 2.427,394 1.46,395 1.925,397 3.485,398 1.379,399 2.724,400 1.732,401 3.791,402 2.347,403 1.362,404 1.8,406 3.088,407 1.333,408 2.715,409 1.536,410 3.71,411 2.224,412 1.223,413 1.746,415 2.903,416 1.21,417 2.599,418 1.488,419 3.602,420 2.166,421 1.187,422 1.591,424 2.748,425 1.151,426 2.5,427 1.38,428 3.406,429 2,430 1,431 1.5,433 2.136,434 1,435 2.174,436 1,437 3.247,438 1.807,439 0.862,440 1.088,442 2.106,443 0.801,444 1.811,445 1,446 3.197,447 1.511,448 0.626,449 0.72,451 1.481,452 0.545,453 1.317,454 0.961,455 2.97,456 1.05,457 0.154,458 0.172,460 0.37,461 0.135,462 15.233,463 0.491,464 0.804,465 0.026,466 41.75,467 1.347,468 23,469 0.742,470 18.75,471 0.605,472 26.513,473 0.855,474 32.767,475 0.63,476 32.884,477 1.061,478 7.843,479 0.253,480 7.111,481 0.229,482 0.088,483 0.055,484 0.263,487 0.633,488 1.034,489 0.774,490 1.018,491 0.693,492 0.844,493 0.637,494 1.014,495 1.076,496 1.067,497 0.478,498 0.994,499 0.855,500 1.116,501 1.123,502 1.157,503 0.721,504 1.019,505 1.252,506 1.093,507 1.246,508 1.148,509 1.16,510 1.087,511 0.949,512 0.995,513 1.177,514 1.082,515 0.936,516 1.045,517 0.665,518 1.137,519 0.927,520 1.03,521 0.56,522 1.181,523 0.915,524 1.017,525 0.921,526 0.954,527 0.953,528 0.974,529 0.868,530 0.97,531 1.031,532 1.046,533 0.83,534 0.829,535 6,536 0.147,537 4.222,538 2.375,539 1.749,540 0.924,541 0.524,542 0.58,543 0.53,544 0.367,545 12812,546 41139,547 2.077,548 40.4,550 19,553 2,558 1.739,559 1.948,560 3.465,561 0.225,563 1,567 86.533,568 1.664,569 3.538,570 4.366,571 5.078,572 5.354,573 5.393,574 2.812,575 4.503,576 4.925,577 3.669,578 1706.27,579 8.617,580 24316.2,585 296.423,586 1.501,587 4.881,588 0.176,589 0.005,590 0.088,591 0.044,592 0.036,593 0.021,594 0.015,595 0.017,596 0.015,597 0.009,598 0.425,599 0.33,600 1,601 0.701,602 160.718,603 0.025,604 0.013,605 0.153,606 0.012,607 -0.128,608 0.065,609 0.193,610 0.034,611 -0.088,612 -0.032,613 0.243,614 -0.071,615 -0.053,616 -0.096,617 -0.049,618 -0.081,619 0.013,620 -0.036,621 -0.183,622 -0.077,623 -0.098,624 -0.051,625 -0.125,626 -0.108,627 0.006,628 0.007,629 -0.103,630 -0.042,631 -0.042,632 -0.044,633 -0.025,634 -0.177,635 -0.057,636 -0.108,637 -0.036,638 -0.169,639 -0.002,640 -0.022,641 0.128,642 0.043,643 -0.057,644 0.056,645 0.021,646 0.077,647 0.179,648 0.063,649 0.077,650 0.216,651 4.477,652 5.44,653 0.677,654 30.845,655 1.014,656 1.106,657 2.999,658 8.991,659 0.715,660 3.555,661 3.892,662 4.159,663 4.394,664 4.644,665 4.745,666 4.898,667 5.004,668 5.142,669 5.209,670 6.979,671 0.678,672 455.59,673 3.555,674 5.106,675 5.958,676 6.843,677 7.716,678 8.605,679 9.485,680 10.377,681 11.262,682 12.155,683 1.9,685 1,699 12,704 6,706 18,714 1,722 1,724 52,726 21,727 3,728 34,730 55,731 23,733 18,734 6,735 12,736 1,739 4,740 7,748 1,751 1,753 19,754 4,756 3,760 1,761 3,765 1,769 1,772 21,773 6,774 2,775 8,776 2,779 1,784 0.5,785 5,802 3,803 1,807 2,830 1,832 2,833 1,834 2,840 31,844 1,845 1,846 3,847 1,848 1,849 1,850 1,862 9.6,864 1,865 3,867 1,869 15.917,870 9.033,871 6.764,872 2.904,874 3.249,875 1.412,876 0.981,877 6.56,878 11.135,879 3.85,880 4.46,881 4.975,882 5.48,883 6.004,884 6.171,885 6.537,886 6.776,887 7.158,888 7.464,889 0.875,890 54,891 11.731,893 5.325,894 7.992,895 21.715,897 18.3,899 2.492,900 77.25,903 1,904 223.651,905 179.786,906 16.405,908 123.141,910 38.027,911 141.759,912 346.792,913 16.405,915 7.598,916 135.927,917 113.051,918 30.536,920 255.87,922 223.651,923 158.164,924 123.141,925 38.027,927 223.651,928 123.141,931 24.003,932 134.161,933 5.807,934 32.22,935 223.651,936 139.546,937 179.786,939 5.807,940 223.651,941 60.264,942 113.715,943 16.405,944 123.141,945 223.651,946 139.546,947 179.786,949 0.584,950 0.342,951 0.18,952 0.099,953 23,954 10,955 0.127,956 7,957 2,958 1.19,959 4.148,960 283.373,961 0.19,962 21,963 147.58,964 1,967 1,968 21.753,969 9.349,970 4.898,972 139.546,973 21.102,978 3.936,980 59.088,981 542.983,982 46,986 -3.56,987 36.249,991 -1.007,994 52.727,995 57.537,996 0.292,997 0.621,998 0.766,999 0.891,1000 0.939,1001 0.946,1002 5.091,1003 1.46,1004 5.969,1005 3.678,1006 4.575,1007 5.147,1008 3.53,1009 6.825,1010 4.486,1011 6.319,1012 1.362,1013 7.564,1014 3.485,1015 4.29,1016 5.147,1017 2.218,1018 8.034,1019 4.136,1020 7.661,1021 1.223,1022 9.278,1023 3.088,1024 6.248,1025 7.424,1026 5.841,1027 11.086,1028 6.061,1029 9.048,1030 1.187,1031 11.066,1032 2.903,1033 6.815,1034 8.271,1035 5.197,1036 13.124,1037 6.539,1038 10.474,1039 1,1040 12.903,1041 2.748,1042 8.269,1043 10.064,1044 8.367,1045 15.763,1046 7.961,1047 11.928,1048 0.862,1049 14.771,1050 2.136,1051 9.197,1052 11.274,1053 8.083,1054 18.088,1055 8.794,1056 13.404,1057 0.626,1058 16.661,1059 2.106,1060 10.473,1061 12.894,1062 10.926,1063 20.615,1064 10.026,1065 3.372,1066 0.154,1067 18.568,1068 1.481,1069 11.554,1070 14.269,1071 10.89,1072 23.043,1073 11.014,1074 3.203,1075 12.402,1076 20.487,1077 0.37,1078 12.768,1079 15.824,1080 13.492,1081 25.542,1082 12.17,1083 2.796,1084 11.24,1085 22.415,1086 4.694,1087 13.912,1088 17.277,1089 13.647,1090 28.01,1091 13.227,1092 2.475,1093 8.984,1094 24.351,1095 4.08,1096 15.108,1097 18.811,1098 16.062,1099 30.505,1100 14.355,1101 2.123,1102 7.888,1103 26.292,1104 3.779,1105 16.28,1106 20.303,1107 16.372,1108 32.99,1109 15.443,1110 2.043,1111 6.236,1112 28.24,1113 3.206,1114 17.473,1115 21.831,1116 18.636,1117 35.487,1118 16.561,1119 1.574,1120 5.388,1121 30.191,1122 3.053,1123 18.658,1124 23.344,1125 19.075,1126 37.981,1127 17.663,1128 12233,1129 22075,1130 22.652,1131 37.188,1132 51.017,1133 55.334,1134 52.097,1135 50.866,1136 50.918,1137 67.771,1138 13.48,1139 148.265,1140 48.67,1141 5.796,1142 6.684,1143 7.094,1144 5.425,1145 5.372,1146 7.694,1147 7.163,1148 19.779,1149 5.092,1150 14.765,1151 1.501,1152 1.627,1153 1.532,1154 1.496,1155 1.498,1156 1.993,1157 0.396,1158 4.361,1159 1.431,1160 4.082,1161 4.076,1162 4.735,1163 4.065,1164 7.717,1165 3.999,1166 4.024,1167 4.021,1168 4.076,1169 3.984,1170 7.475,1171 3.947,1172 3.822,1173 3.842,1174 3.776,1175 3.766,1176 6.999,1177 3.763,1178 3.663,1179 3.69,1180 3.705,1181 3.574,1182 6.351,1183 3.514,1184 3.421,1185 3.423,1186 3.66,1187 3.394,1188 4.873,1189 3.301,1190 3.314,1191 3.321,1192 3.269,1193 3.114,1194 4.716,1195 3.124,1196 3.19,1197 3.228,1198 3.063,1199 3.01,1200 4.629,1201 3.01,1202 2.992,1203 3.019,1204 2.942,1205 2.803,1206 4.266,1207 2.816,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.842,1214 0.138,1215 4.684,1216 0.109,1217 7.292,1218 0.365,1219 4.289,1220 0.091,1221 3.372,1222 4.694,1223 3.691,1224 12.402,1225 3.092,1226 1.964,1227 1.965,1228 2.042,1229 2.027,1230 1.286,1231 2.069,1232 1.952,1233 1.942,1234 1.996,1235 2.011,1236 1.178,1237 2.028,1238 1.871,1239 1.854,1240 1.967,1241 1.969,1242 1.098,1243 1.968,1244 1.582,1245 1.558,1246 1.733,1247 1.759,1248 1.027,1249 1.792,1250 1.335,1251 1.347,1252 1.452,1253 1.499,1254 0.633,1255 1.514,1256 1.207,1257 1.188,1258 1.349,1259 1.432,1260 0.599,1261 1.445,1262 1.169,1263 1.129,1264 1.181,1265 1.371,1266 0.515,1267 1.37,1268 0.909,1269 0.881,1270 1.154,1271 1.142,1272 0.218,1273 1.151,1274 4.234,1276 5.565,1278 7.093,1279 2.708,1280 8.708,1281 5.38,1282 10.37,1289 9.314,1290 1.152,1291 2.645,1292 5.926,1293 1.592,1294 -0.099,1300 35.238,1301 86.533,1302 183.977,1303 227.039,1304 264.058,1305 278.423,1306 280.423,1307 71.413,1308 7.886,1309 92.7,1310 126.38,1311 25,1312 12.683,1313 4.459,1314 3.7,1315 49.346,1316 125,1317 139,1318 0.184,1319 221.584,1320 389.89,1321 532.425,1322 31799,1324 21.847,1325 0.705,1326 0.586,1327 22.45,1328 18.157,1329 14.954,1330 0.44,1331 0.36,1332 9.81,1333 13.252,1334 9.392,1335 7.727,1336 16.23,1337 12.229,1338 13.76,1339 0.287,1340 0.208,1341 15.64,1342 9.987,1343 11.32,1344 0.18,1345 0.123,1346 13.123,1347 7.754,1348 9.206,1349 0.115,1350 0.074,1351 10.899,1352 5.89,1353 7.666,1354 0.074,1355 0.043,1356 9.311,1357 4.479,1358 0.289,1359 105.968,1360 0.21,1361 29.038,1362 0.506,1363 164,1364 521.146,1365 236.829,1366 539.206,1367 718.82,1368 498,1369 193,1370 470.375,1371 269.689,1372 522.557,1373 766.14,1374 490,1375 6.432} {0 CHEMBL33151,1 1.677,2 9.444,3 0.466,4 0.217,5 66.221,6 7.697,7 0.579,8 3.581,9 3.711,10 3.159,11 3.009,12 4.786,13 3.03,14 4.047,15 4.218,16 3.434,17 3.329,18 5.302,19 3.321,20 4.215,21 4.423,22 3.25,23 3.363,24 5.277,25 3.3,26 4.149,27 4.379,28 3.156,29 3.285,30 5.182,31 3.198,32 4.114,33 4.356,34 3.071,35 3.156,36 5.229,37 3.072,38 3.921,39 4.179,40 2.869,41 2.998,42 4.916,43 2.914,44 3.704,45 3.932,46 2.869,47 2.914,48 4.851,49 2.841,50 3.65,51 3.887,52 2.647,53 2.809,54 4.649,55 2.715,56 0.077,57 0.49,58 6.364,59 2.314,60 9.131,61 3.205,62 0.305,63 0.69,64 11.571,65 3.79,66 28.948,67 5.221,68 0.388,69 0.704,70 15.179,71 4.592,72 34.673,73 6.369,74 0.218,75 0.651,76 14.147,77 4.775,78 22.62,79 6.878,80 0.348,81 0.583,82 14.45,83 4.292,84 36.211,85 6.304,86 0.246,87 0.498,88 12.064,89 3.47,90 28.467,91 5.213,92 0.254,93 0.446,94 8.949,95 2.855,96 22.157,97 4.329,98 0.17,99 0.413,100 8.535,101 2.681,102 15.118,103 3.966,104 7,105 24,106 0.316,107 0.705,108 0.837,109 0.86,110 0.86,111 0.86,112 2.957,113 0.867,114 -1.77,115 -1.84,116 -1.85,118 37.5,124 2,140 4,142 2,143 1,149 1,155 1,156 1,159 1,160 1,161 1,168 2,171 1,172 2,174 1,175 2,176 1,177 2,179 1,180 2,185 1,186 2,191 2,194 2,198 2,203 2,208 2,209 1,210 4,213 1,215 2,220 2,222 2,233 1,234 2,236 1,237 1,247 2,250 1,270 390,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.585,277 15.385,278 7.54,279 12.514,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 7.156,286 18.123,287 3.632,288 10.004,289 3.323,290 1.263,291 0.563,292 0.438,293 0.438,294 0.438,295 3.616,299 1,300 1,301 352,302 2.915,305 57.653,306 64.052,313 1.778,314 15.249,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 40,326 170,327 4.06,328 3.487,329 5.534,330 3.653,331 2.691,332 3.648,333 1.629,334 7.518,335 2.587,336 3.919,337 2.911,338 5.354,339 3.456,340 2.541,341 3.478,342 0.86,343 7.003,344 2.321,345 3.634,346 2.638,347 5.197,348 3.27,349 2.323,350 2.897,351 0.142,352 6.573,353 2.189,354 3.269,355 2.4,356 4.399,357 2.844,358 1.857,359 2.451,361 4.512,362 1.81,363 2.713,364 1.622,365 3.606,366 2.345,367 1.411,368 1.775,370 3.006,371 1.311,372 2.5,373 1.196,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.172,382 1,383 3.195,384 1.838,385 0.937,386 1.121,388 2.058,389 0.838,390 2.118,391 0.663,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.412,400 0.618,401 2.638,402 1.098,403 0.156,404 0.184,406 0.366,407 0.145,408 0.925,409 0.215,410 2.348,411 0.623,412 -0.303,413 -0.348,415 -0.749,416 -0.277,417 0.572,418 -0.12,419 2,420 0.128,421 -0.834,422 -0.979,424 -2,425 -0.766,426 0.5,427 -0.498,428 1.68,429 0.019,430 -1,431 -1.368,433 -2.024,434 -1,435 0.289,436 -1,437 1.278,439 -1,440 -1.5,442 -2.857,443 -1.038,444 0.02,445 -1.048,446 1,447 -0.344,448 -1.277,449 -1.578,451 -3,452 -1.198,453 -0.118,454 -1.343,455 1,456 -0.703,457 -1.618,458 -1.906,460 -4.277,461 -1.465,462 8.267,463 0.459,464 0.349,465 0.019,466 24.75,467 1.375,468 12.5,469 0.694,470 12.25,471 0.681,472 9.846,473 0.547,474 19.933,475 0.623,476 15.537,477 0.863,478 5.261,479 0.292,480 3.476,481 0.193,482 0.089,484 0.23,487 0.93,488 1.531,489 0.786,490 1.175,491 0.748,492 0.966,493 0.942,494 1.013,495 0.948,496 1.018,497 0.499,498 0.988,499 1.354,500 0.901,501 1.23,502 0.991,503 1.153,504 1.078,505 0.871,506 1.147,507 0.979,508 1.248,509 0.624,510 1.161,511 0.986,512 0.959,513 0.987,514 1.046,515 1.076,516 1.036,517 1.041,518 0.903,519 0.916,520 0.855,521 1.061,522 0.864,523 0.41,524 0.97,525 0.828,526 0.961,527 0.28,528 0.972,529 0.848,530 1.018,531 1.085,532 1.098,533 0.699,534 1.137,535 3.5,536 0.053,537 1.111,538 0.597,539 0.507,540 0.344,541 0.248,542 0.078,543 0.103,544 0.047,545 3184,546 10379,547 2.026,548 43.8,550 8,551 1,552 2,553 3,558 1.576,559 1.929,560 3.238,561 1.251,563 1,567 53.677,568 1.677,569 3.737,570 4.438,571 4.563,572 4.563,573 4.563,574 2.711,575 3.503,576 4.139,577 3.417,578 522.728,579 6.973,580 5251.04,582 1,585 160,586 1.224,587 4.116,588 0.184,589 0.009,590 0.046,591 0.031,592 0.03,593 0.023,594 0.019,595 0.006,596 0.01,597 0.007,598 0.366,599 0.5,600 1,601 1.047,602 79.301,603 -0.134,604 -0.277,605 0.026,606 -0.112,607 -0.119,608 -0.016,609 0.062,610 0.123,611 -0.052,612 -0.021,613 0.195,614 -0.059,615 -0.237,616 0.076,617 -0.269,618 -0.004,619 -0.22,620 -0.122,621 -0.039,622 -0.216,623 -0.034,624 -0.215,625 0.044,626 -0.136,627 0.052,628 -0.081,629 0.016,630 -0.068,631 -0.02,632 -0.044,633 -0.114,634 -0.027,635 0.086,636 0.123,637 -0.106,638 0.143,639 0.348,640 0.027,641 0.104,642 0.05,643 0.291,644 0.035,645 -0.069,646 -0.036,647 -0.146,648 -0.11,649 -0.09,650 -0.145,651 2.247,652 3.628,653 0.611,654 15.63,655 1.015,656 1.14,657 0.543,658 0.295,659 0.648,660 2.996,661 3.219,662 3.332,663 3.497,664 3.497,665 3.434,666 3.497,667 3.434,668 3.367,669 3.367,670 5.8,671 0.63,672 246.3,673 2.996,674 4.466,675 5.242,676 6.057,677 6.847,678 7.663,679 8.46,680 9.276,681 10.077,682 10.892,683 12.5,690 2,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 32,726 12,727 1,728 19,730 33,731 12,733 9,734 2,735 4,739 2,740 2,744 1,753 10,754 2,756 1,761 1,765 1,769 1,772 14,773 5,774 3,775 6,778 1,779 4,784 1,785 2,801 1,802 1,832 2,840 18,841 1,846 2,847 1,848 1,862 6.3,865 1,867 1,869 9.333,870 5.4,871 4.083,872 1.658,874 1.93,875 1.325,876 0.959,877 4.334,878 7.863,879 3.277,880 3.778,881 4.184,882 4.668,883 4.886,884 4.844,885 5.051,886 5.173,887 5.22,888 5.538,889 1,890 19,891 6.563,893 2.629,894 7.944,895 12.236,897 9.262,899 2.444,900 44,901 0.001,904 129.482,905 83.593,906 69.593,908 36.145,911 83.593,912 165.627,913 69.593,915 57.606,916 46.952,917 74.091,918 29.947,919 16.047,920 94.169,922 129.482,923 153.185,924 36.145,927 129.482,928 36.145,931 77.171,932 59.228,933 16.786,935 129.482,936 105.737,937 83.593,940 129.482,941 18.974,942 66.518,943 18.011,944 85.828,945 129.482,946 105.737,947 83.593,949 0.558,950 0.291,951 0.154,952 0.071,953 10,954 4,955 0.152,956 5,958 1,959 3.236,960 112.698,962 11,963 71.059,968 12.609,969 6.187,970 4.166,972 103.838,973 12.365,974 3.942,978 1.384,979 1.934,980 50.908,981 318.812,982 25.5,987 10.628,991 -0.58,994 32.48,995 36.488,996 0.335,997 0.747,998 0.888,999 0.913,1000 0.913,1001 0.913,1002 4.44,1003 0.618,1004 5.165,1005 2.058,1006 3.892,1007 4.46,1008 1.94,1009 5.808,1010 3.778,1011 5.595,1012 0.156,1013 6.613,1014 1.372,1015 3.219,1016 3.98,1017 1.195,1018 6.326,1019 3.064,1020 6.844,1021 -0.303,1022 8.15,1023 0.366,1024 5.323,1025 6.5,1026 2.444,1027 9.305,1028 5.093,1029 8.125,1030 -0.834,1031 9.737,1032 -0.749,1033 5.442,1034 6.827,1035 2.262,1036 10.621,1037 5.156,1038 9.431,1039 -1,1040 11.355,1041 -2,1042 6.974,1043 8.77,1044 3.178,1045 13.037,1046 6.634,1047 10.755,1048 -1,1049 12.994,1050 -2.024,1051 7.476,1052 9.484,1053 3.301,1054 14.693,1055 7.072,1056 12.091,1057 -1.277,1058 14.646,1059 -2.857,1060 8.74,1061 11.156,1062 4.033,1063 16.879,1064 8.295,1065 2.691,1066 -1.618,1067 16.308,1068 -3,1069 9.445,1070 12.083,1071 4.321,1072 18.699,1073 8.935,1074 2.541,1075 7.518,1076 17.977,1077 -4.277,1078 10.571,1079 13.606,1080 4.949,1081 20.781,1082 10.026,1083 2.323,1084 7.003,1085 19.65,1086 3.648,1087 11.389,1088 14.66,1089 5.326,1090 22.683,1091 10.783,1092 1.857,1093 6.573,1094 21.327,1095 3.478,1096 12.442,1097 16.096,1098 5.893,1099 24.717,1100 11.804,1101 1.411,1102 4.512,1103 23.007,1104 2.897,1105 13.325,1106 17.228,1107 6.319,1108 26.662,1109 12.631,1110 1,1111 3.006,1112 24.689,1113 2.451,1114 14.34,1115 18.61,1116 6.852,1117 28.674,1118 13.614,1119 0.937,1120 2.275,1121 26.373,1122 1.775,1123 15.26,1124 19.792,1125 7.305,1126 30.643,1127 14.483,1128 3196,1129 5853,1130 12.712,1131 20.739,1132 27.437,1133 27.652,1134 27.2,1135 27.06,1136 27.069,1137 35.962,1138 5.262,1139 69.366,1140 25.556,1141 4.933,1142 5.487,1143 5.192,1144 4.739,1145 4.691,1146 6.648,1147 2.86,1148 12.793,1149 4.587,1150 7.558,1151 1.444,1152 1.455,1153 1.432,1154 1.424,1155 1.425,1156 1.893,1157 0.277,1158 3.651,1159 1.345,1160 3.956,1161 4.009,1162 3.894,1163 3.834,1164 7.439,1165 3.84,1166 3.882,1167 3.927,1168 3.825,1169 3.696,1170 4.966,1171 3.724,1172 3.478,1173 3.529,1174 3.411,1175 3.177,1176 4.906,1177 3.219,1178 3.321,1179 3.386,1180 3.176,1181 3.075,1182 4.821,1183 3.101,1184 2.854,1185 2.925,1186 2.736,1187 2.735,1188 4.343,1189 2.715,1190 2.849,1191 2.925,1192 2.687,1193 2.637,1194 3.765,1195 2.656,1196 2.529,1197 2.64,1198 2.313,1199 2.316,1200 3.674,1201 2.299,1202 2.436,1203 2.549,1204 2.228,1205 2.092,1206 3.528,1207 2.105,1208 0.214,1209 0.184,1210 0.291,1211 0.192,1212 0.142,1213 4.06,1214 0.192,1215 3.487,1216 0.086,1217 5.534,1218 0.396,1219 3.653,1220 0.136,1221 2.691,1222 3.648,1223 1.629,1224 7.518,1225 2.587,1226 1.884,1227 1.859,1228 1.991,1229 2.008,1230 1.111,1231 2.002,1232 1.628,1233 1.56,1234 1.825,1235 1.866,1236 1.035,1237 1.856,1238 1.313,1239 1.254,1240 1.502,1241 1.649,1242 0.528,1243 1.598,1244 1.28,1245 1.22,1246 1.45,1247 1.527,1248 0.32,1249 1.519,1250 1.082,1251 1.012,1252 1.325,1253 1.373,1254 0.227,1255 1.366,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.757,1263 0.692,1264 1.03,1265 1.051,1267 1.055,1268 0.315,1269 0.171,1270 0.837,1271 0.746,1273 0.768,1274 3.664,1276 4.905,1277 2.398,1278 6.308,1279 4.443,1280 7.786,1281 6.26,1282 9.306,1288 5.007,1290 1.292,1291 2.481,1292 5.547,1300 20.149,1301 53.677,1302 119.594,1303 142,1304 146,1305 146,1306 146,1307 22.448,1308 5.932,1309 82.17,1310 82.17,1311 11,1312 11.48,1313 3.7,1314 2.907,1315 31.385,1316 62,1317 50,1318 0.246,1319 128.697,1320 215.38,1321 305.781,1322 2528,1324 12.795,1325 0.711,1326 0.541,1327 12.795,1328 9.744,1329 8.737,1330 0.46,1331 0.289,1332 5.37,1333 8.243,1334 5.293,1335 4.403,1336 8.737,1337 5.489,1338 7.598,1339 0.317,1340 0.153,1341 7.598,1342 3.663,1343 5.471,1344 0.203,1345 0.085,1346 5.471,1347 2.299,1348 4.417,1349 0.138,1350 0.046,1351 4.417,1352 1.465,1353 2.924,1354 0.091,1355 0.025,1356 2.924,1357 0.809,1358 0.398,1359 55.718,1360 0.28,1361 18.84,1362 0.636,1363 86,1364 300.406,1365 98.529,1366 285.435,1367 379.02,1368 266,1369 94,1370 270.119,1371 105.062,1372 270.727,1373 383.62,1374 253,1375 6.076} {0 CHEMBL331822,1 1.739,2 7.857,3 2.375,4 5.639,5 80.094,6 8.679,7 0.652,8 3.681,9 3.785,10 3.373,11 3.23,12 4.862,13 3.227,14 4.188,15 4.344,16 3.744,17 3.632,18 5.421,19 3.604,20 4.393,21 4.575,22 3.664,23 3.733,24 5.438,25 3.645,26 4.445,27 4.661,28 3.641,29 3.725,30 5.445,31 3.621,32 4.359,33 4.562,34 3.713,35 3.683,36 5.404,37 3.595,38 4.409,39 4.624,40 3.651,41 3.608,42 5.537,43 3.531,44 4.259,45 4.475,46 3.522,47 3.453,48 5.441,49 3.362,50 4.096,51 4.297,52 3.269,53 3.151,54 5.4,55 3.037,56 0.077,57 0.517,58 5.556,59 2.917,60 9.45,61 3.457,62 0.294,63 0.833,64 11.428,65 4.673,66 34.859,67 5.805,68 0.321,69 0.918,70 18.068,71 6.698,72 40.719,73 8.244,74 0.431,75 0.963,76 19.607,77 7.015,78 38.407,79 9.163,80 0.222,81 0.885,82 16.73,83 6.703,84 21.529,85 8.877,86 0.392,87 0.876,88 22.004,89 6.743,90 38.234,91 8.586,92 0.302,93 0.714,94 18.978,95 6.058,96 35.808,97 7.581,98 0.511,99 0.524,100 19.943,101 4.938,102 58.538,103 5.651,104 13,105 32,106 0.316,107 0.703,108 0.865,109 0.9,110 0.9,111 0.9,112 3.104,113 0.908,114 -3.24,115 -3.23,116 -3.1,118 42.9,120 1,124 2,140 3,141 2,142 1,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 6,175 1,177 1,180 5,186 3,187 1,194 5,197 2,198 2,201 1,206 5,210 3,218 2,219 3,221 1,222 7,227 3,230 2,234 3,235 1,239 2,242 1,246 1,247 3,250 1,256 1,259 1,260 1,264 1,270 553,271 14.085,272 14.085,273 14.085,274 14.085,275 14.085,276 12.082,277 16.037,278 8.416,279 14.501,280 11.392,281 11.392,282 11.392,283 11.392,284 11.392,285 8.363,286 20.37,287 4.065,288 12.11,289 3.39,290 1.255,291 0.364,292 0.171,293 0.171,294 0.171,295 3.781,297 1,298 1,299 1,300 1,301 350,302 3,305 94.254,306 51.978,309 80.284,313 1.306,314 19.296,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 45.833,326 165,327 4.656,328 3.6,329 6.764,330 4.183,331 3.214,332 4.623,333 2.341,334 11.136,335 3.115,336 3.935,337 3.317,338 5.645,339 3.481,340 2.56,341 3.492,342 0.522,343 7.567,344 2.36,345 3.706,346 2.851,347 5.331,348 3.291,349 2.352,350 3.144,352 6.746,353 2.229,354 3.549,355 2.687,356 5.037,357 3.131,358 2.191,359 2.834,361 5.967,362 1.961,363 3.422,364 2.208,365 4.744,366 2.981,367 2.012,368 2.679,370 5.197,371 1.938,372 2.966,373 1.803,374 4.573,375 2.507,376 1.572,377 2.136,379 4.618,380 1.42,381 2.631,382 1.297,383 3.792,384 2.161,385 1.216,386 1.681,388 2.867,389 1.146,390 2.389,391 1.105,392 3.391,393 1.93,394 0.962,395 1.342,397 2.34,398 0.927,399 2.118,400 0.926,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.725,409 0.618,410 2.952,411 1.454,412 0.479,413 0.561,415 1.084,416 0.457,417 1.18,418 0.433,419 2.713,420 0.771,421 -0.132,422 -0.167,424 -0.345,425 -0.104,426 0.824,427 0.298,428 2.421,429 0.426,430 -0.456,431 -0.547,433 -1.191,434 -0.357,435 0.724,436 -0.076,437 2.241,438 0.261,439 -0.716,440 -0.922,442 -2,443 -0.683,444 0.468,445 -0.419,446 2.073,447 0.01,448 -1,449 -1.288,451 -2.14,452 -0.93,453 0.185,454 -0.881,455 1.737,456 -0.135,457 -1.062,458 -1.455,460 -2.93,461 -0.981,462 10.081,463 0.48,464 0.541,465 0.026,466 27.75,467 1.321,468 13.5,469 0.643,470 14.25,471 0.679,472 14.867,473 0.708,474 22.319,475 0.638,476 18.585,477 0.885,478 5.635,479 0.268,480 4.496,481 0.214,482 0.137,484 0.327,487 0.785,488 1.449,489 0.583,490 0.971,491 0.677,492 0.874,493 0.703,494 1.003,495 0.701,496 0.782,497 0.401,498 0.829,499 1.001,500 1.094,501 1.076,502 1.072,503 0.97,504 1.132,505 0.737,506 0.856,507 0.878,508 0.882,509 0.745,510 1.001,511 0.537,512 1.195,513 0.709,514 1.09,515 0.476,516 1.053,517 0.992,518 0.978,519 1.067,520 1.065,521 0.948,522 1.009,523 1.117,524 1.021,525 1.097,526 1.054,527 1.061,528 1.01,529 1.772,530 0.859,531 1.783,532 1.146,533 2.096,534 1.178,535 4.5,536 0.04,537 2,538 1.549,539 0.893,540 0.723,541 0.554,542 0.218,543 0.212,544 0.055,545 4095,546 14381,547 2.074,548 40,550 7,551 2,552 2,553 1,554 2,558 1.637,559 1.938,560 3.002,561 -0.244,563 1,565 1,567 60.864,568 1.739,569 3.875,570 4.765,571 4.958,572 4.958,573 4.958,574 2.488,575 3.821,576 4.357,577 3.161,578 663.8,579 7.499,580 7034.04,581 1,582 1,584 1,585 179.525,586 1.418,587 4.322,588 0.196,589 0.01,590 0.063,591 0.055,592 0.033,593 0.026,594 0.021,595 0.01,596 0.016,597 0.007,598 0.437,599 0.33,600 1,601 1.238,602 93.826,603 -0.088,604 -0.293,605 0.012,606 -0.063,607 -0.066,608 -0.015,609 0.042,610 0.152,611 -0.002,612 0.111,613 0.19,614 0.046,615 -0.185,616 -0.095,617 -0.194,618 -0.1,619 -0.17,620 -0.168,621 0.023,622 0.14,623 -0.042,624 0.073,625 -0.061,626 -0.014,627 0.1,628 -0.221,629 0.123,630 -0.111,631 0.084,632 -0.042,633 -0.041,634 -0.025,635 -0.036,636 -0.087,637 -0.038,638 -0.019,639 -0.103,640 -0.116,641 0.015,642 -0.045,643 -0.028,644 0.004,645 -0.194,646 -0.012,647 -0.295,648 -0.105,649 -0.367,650 -0.201,651 2.47,652 3.779,653 0.667,654 17.079,655 1.017,656 1.124,657 2.008,658 4.032,659 0.696,660 3.178,661 3.497,662 3.738,663 4.043,664 4.234,665 4.369,666 4.522,667 4.585,668 4.522,669 4.394,670 5.062,671 0.671,672 303.77,673 3.178,674 4.71,675 5.549,676 6.431,677 7.302,678 8.195,679 9.081,680 9.98,681 10.875,682 11.777,683 8.6,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,723 1,724 35,726 16,727 1,728 23,730 37,731 15,733 11,734 3,735 3,739 3,740 4,741 1,751 1,753 12,754 3,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 6,776 1,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,818 1,830 1,832 2,837 1,840 21,845 1,846 3,861 1,862 5.7,864 1,865 1,869 10.833,870 6.193,871 4.583,872 1.975,874 2.818,875 1.417,876 0.975,877 3.992,878 9.568,879 3.481,880 4.119,881 4.707,882 5.355,883 5.809,884 6.205,885 6.656,886 7.038,887 7.165,888 7.342,889 1,890 28,891 7.713,893 3.27,894 7.926,895 14.543,897 11.88,899 2.426,900 50.944,904 153.024,905 83.249,906 20.584,907 39.149,908 67.828,911 83.249,912 260.001,913 20.584,915 6.746,916 46.524,917 117.684,918 22.105,919 25.686,920 105.94,921 39.149,922 153.024,923 103.832,924 67.828,925 39.149,927 153.024,928 67.828,931 28.21,932 58.837,933 55.934,935 153.024,936 88.412,937 122.397,940 153.024,941 19.059,942 67.988,944 123.762,945 153.024,946 88.412,947 122.397,949 0.578,950 0.315,951 0.175,952 0.099,953 16,954 7,955 0.135,956 5,957 1,958 1.143,959 3.344,960 161.378,961 0.143,962 14,963 92.239,968 14.17,969 5.916,970 3.117,971 2.039,972 84.614,973 13.038,974 4.035,978 1.765,979 3.934,980 42.683,981 363.834,982 31.5,987 10.779,991 -0.804,994 35.585,995 39.349,996 0.339,997 0.755,998 0.929,999 0.967,1000 0.967,1001 0.967,1002 4.698,1003 0.962,1004 5.533,1005 2.867,1006 4.174,1007 4.804,1008 2.313,1009 6.333,1010 4.062,1011 5.921,1012 0.618,1013 7.079,1014 2.34,1015 3.761,1016 4.677,1017 2.243,1018 7.209,1019 3.564,1020 7.234,1021 0.479,1022 8.725,1023 1.372,1024 5.746,1025 7.068,1026 3.632,1027 10.327,1028 5.545,1029 8.587,1030 -0.132,1031 10.431,1032 1.084,1033 6.155,1034 7.817,1035 4.112,1036 12.1,1037 5.895,1038 9.972,1039 -0.456,1040 12.179,1041 -0.345,1042 7.617,1043 9.668,1044 5.202,1045 14.746,1046 7.349,1047 11.383,1048 -0.716,1049 13.958,1050 -1.191,1051 8.42,1052 10.841,1053 5.889,1054 16.906,1055 8.114,1056 12.815,1057 -1,1058 15.762,1059 -2,1060 9.682,1061 12.486,1062 6.849,1063 19.395,1064 9.361,1065 3.214,1066 -1.062,1067 17.585,1068 -2.14,1069 10.678,1070 13.86,1071 7.625,1072 21.71,1073 10.329,1074 2.56,1075 11.136,1076 19.425,1077 -2.93,1078 11.867,1079 15.428,1080 8.526,1081 24.147,1082 11.499,1083 2.352,1084 7.567,1085 21.278,1086 4.623,1087 12.954,1088 16.89,1089 9.342,1090 26.521,1091 12.56,1092 2.191,1093 6.746,1094 23.142,1095 3.492,1096 14.12,1097 18.431,1098 10.216,1099 28.94,1100 13.703,1101 2.012,1102 5.967,1103 25.015,1104 3.144,1105 15.248,1106 19.933,1107 11.051,1108 31.337,1109 14.806,1110 1.572,1111 5.197,1112 26.896,1113 2.834,1114 16.409,1115 21.465,1116 11.912,1117 33.75,1118 15.941,1119 1.216,1120 4.618,1121 28.782,1122 2.679,1123 17.557,1124 22.983,1125 12.755,1126 36.155,1127 17.062,1128 4060,1129 7678,1130 15.315,1131 24.352,1132 34.807,1133 35.012,1134 34.805,1135 34.564,1136 34.351,1137 46.839,1138 5.725,1139 97.788,1140 32.258,1141 5.476,1142 5.6,1143 6.377,1144 5.242,1145 5.214,1146 7.623,1147 3.925,1148 18.202,1149 5.115,1150 9.928,1151 1.513,1152 1.522,1153 1.513,1154 1.503,1155 1.494,1156 2.036,1157 0.249,1158 4.252,1159 1.403,1160 4.159,1161 4.193,1162 4.163,1163 4.07,1164 7.474,1165 4.077,1166 3.877,1167 3.943,1168 3.841,1169 3.671,1170 6.351,1171 3.7,1172 3.625,1173 3.657,1174 3.696,1175 3.457,1176 5.023,1177 3.464,1178 3.398,1179 3.427,1180 3.464,1181 3.27,1182 4.933,1183 3.272,1184 3.1,1185 3.15,1186 3.031,1187 2.896,1188 4.611,1189 2.909,1190 2.809,1191 2.866,1192 2.913,1193 2.625,1194 3.966,1195 2.62,1196 2.76,1197 2.831,1198 2.596,1199 2.521,1200 3.852,1201 2.532,1202 2.47,1203 2.57,1204 2.459,1205 2.295,1206 3.552,1207 2.277,1208 0.202,1209 0.157,1210 0.294,1211 0.182,1212 0.14,1213 4.656,1214 0.201,1215 3.6,1216 0.102,1217 6.764,1218 0.484,1219 4.183,1220 0.135,1221 3.214,1222 4.623,1223 2.341,1224 11.136,1225 3.115,1226 1.942,1227 1.923,1228 2.01,1229 2.027,1230 1.221,1231 2.028,1232 1.722,1233 1.667,1234 1.883,1235 1.919,1236 1.137,1237 1.911,1238 1.537,1239 1.485,1240 1.721,1241 1.753,1242 0.911,1243 1.745,1244 1.324,1245 1.272,1246 1.502,1247 1.533,1248 0.552,1249 1.524,1250 1.24,1251 1.178,1252 1.396,1253 1.508,1254 0.394,1255 1.473,1256 1.007,1257 0.978,1258 1.173,1259 1.218,1260 0.266,1261 1.213,1262 0.772,1263 0.719,1264 1.057,1265 0.979,1266 0.135,1267 1.002,1268 0.633,1269 0.584,1270 0.926,1271 0.932,1272 0.012,1273 0.95,1274 3.85,1276 5.165,1277 3.045,1278 6.65,1279 5.352,1280 8.226,1281 7.413,1282 9.859,1285 6.087,1289 8.858,1290 1.214,1300 23.482,1301 60.864,1302 135.609,1303 166.77,1304 173.525,1305 173.525,1306 173.525,1307 30.78,1308 6.75,1309 60.05,1310 60.05,1311 16,1312 12.3,1313 4.087,1314 3.248,1315 31.951,1316 63,1317 61,1318 0.258,1319 148.692,1320 245.59,1321 354.568,1322 6440,1323 2.9,1324 14.82,1325 0.706,1326 0.571,1327 15.32,1328 11.994,1329 10.131,1330 0.44,1331 0.303,1332 6.51,1333 9.404,1334 6.357,1335 5.223,1336 10.42,1337 6.959,1338 9.359,1339 0.292,1340 0.166,1341 9.767,1342 5.324,1343 7.259,1344 0.177,1345 0.089,1346 7.522,1347 3.639,1348 6.139,1349 0.11,1350 0.047,1351 6.358,1352 2.619,1353 4.809,1354 0.071,1355 0.027,1356 5.089,1357 1.822,1358 0.39,1359 66.804,1360 0.256,1361 20.593,1362 0.752,1363 110,1364 349.024,1365 135.887,1366 366.941,1367 482.3,1368 340,1369 128,1370 324.628,1371 147.771,1372 338.627,1373 489.25,1374 317,1375 7.678} {0 CHEMBL33210,1 1.644,2 7.529,3 0.558,4 0.311,5 63.042,6 7.709,7 0.611,8 3.511,9 3.632,10 3.096,11 2.985,12 4.718,13 2.995,14 3.982,15 4.146,16 3.37,17 3.307,18 5.199,19 3.296,20 4.144,21 4.337,22 3.283,23 3.338,24 5.25,25 3.286,26 4.114,27 4.309,28 3.24,29 3.241,30 5.353,31 3.187,32 4.091,33 4.32,34 3.008,35 3.131,36 5.178,37 3.051,38 3.915,39 4.171,40 2.805,41 3.017,42 4.909,43 2.911,44 3.788,45 4.047,46 2.841,47 2.953,48 4.848,49 2.866,50 3.642,51 3.881,52 2.775,53 2.839,54 4.815,55 2.772,56 0.055,57 0.448,58 5.805,59 2.391,60 8.433,61 3.11,62 0.23,63 0.649,64 10.7,65 3.768,66 24.503,67 4.936,68 0.287,69 0.669,70 13.751,71 4.789,72 27.237,73 6.289,74 0.335,75 0.631,76 13.439,77 4.536,78 36.874,79 6.117,80 0.338,81 0.589,82 14.108,83 4.229,84 37.94,85 5.826,86 0.22,87 0.527,88 11.796,89 3.623,90 33.37,91 5.316,92 0.232,93 0.486,94 10.298,95 3.186,96 24.406,97 4.751,98 0.111,99 0.434,100 8.331,101 2.664,102 12.09,103 3.994,104 6,105 23,106 0.314,107 0.698,108 0.836,109 0.887,110 0.9,111 0.9,112 2.906,113 0.874,114 -2.14,115 -2.18,116 -2.16,118 40,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,159 1,160 1,161 1,168 4,171 1,172 3,174 1,175 1,177 1,180 4,183 1,185 1,186 3,191 1,194 2,196 1,197 1,198 3,200 1,201 1,203 2,208 2,209 1,210 3,215 1,220 1,222 2,233 1,234 3,236 1,237 1,247 2,258 1,259 1,261 1,262 1,270 325,271 11.535,272 11.535,273 11.535,274 11.535,275 11.535,276 10.018,277 11.191,278 7.122,279 11.833,280 8.895,281 8.895,282 8.895,283 8.895,284 8.895,285 6.685,286 11.108,287 3.359,288 9.357,289 3.263,290 1.255,291 0.533,292 0.267,293 0.2,294 0.2,295 3.561,299 1,300 1,301 266,302 2.739,305 48.936,306 59.385,313 1.142,314 16.673,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37.5,326 128,327 4.317,328 3.55,329 6.403,330 3.943,331 2.959,332 3.928,333 0.98,334 9.738,335 2.912,336 3.919,337 2.874,338 5.353,339 3.453,340 2.54,341 3.478,342 0.86,343 6.998,344 2.318,345 3.376,346 2.629,347 4.91,348 2.977,349 2,350 2.597,352 5.318,353 1.94,354 2.948,355 1.889,356 3.779,357 2.527,358 1.569,359 2.115,361 3.308,362 1.492,363 2.696,364 1.43,365 3.564,366 2.285,367 1.337,368 1.759,370 2.882,371 1.262,372 2.532,373 1.314,374 3.466,375 2.016,376 1,377 1.476,379 2.305,380 1.01,381 2.137,382 1.098,383 3.156,384 1.797,385 0.883,386 1.071,388 1.936,389 0.801,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.207,400 0.29,401 2.511,402 0.896,403 -0.033,404 -0.039,406 -0.078,407 -0.031,408 0.722,409 0.06,410 2,411 0.314,412 -0.641,413 -0.778,415 -1.509,416 -0.596,417 0.546,418 -0.362,419 1.89,420 0.1,421 -0.882,422 -1.185,424 -2,425 -0.861,426 0.407,427 -0.805,428 1.569,429 0.037,430 -1,431 -1.432,433 -2.115,434 -1.038,435 0.021,436 -1.17,437 1.191,438 -0.359,439 -1.298,440 -1.583,442 -2.885,443 -1.22,444 -0.118,445 -1.42,446 1,447 -0.702,448 -1.618,449 -2.107,451 -4.371,452 -1.473,453 -0.391,454 -1.618,455 1,456 -0.716,457 -1.683,458 -2.213,460 -4.372,461 -1.539,462 7.867,463 0.463,464 0.315,465 0.019,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.422,473 0.554,474 18.533,475 0.618,476 14.663,477 0.863,478 4.952,479 0.291,480 3.319,481 0.195,482 0.093,484 0.242,487 0.86,488 1.421,489 0.767,490 1.141,491 0.723,492 0.956,493 1.05,494 0.978,495 0.951,496 0.965,497 0.586,498 0.934,499 1.208,500 0.976,501 1.065,502 1.07,503 1.024,504 1.054,505 1.016,506 1.149,507 1.042,508 1.23,509 0.908,510 1.166,511 1.35,512 0.966,513 1.164,514 1.003,515 1.205,516 1.052,517 0.965,518 0.979,519 1.022,520 0.925,521 1.262,522 0.977,523 0.646,524 0.732,525 0.823,526 0.718,527 0.989,528 0.789,529 0.684,530 1.16,531 0.849,532 1.027,533 0.697,534 0.964,535 2.5,537 1.556,538 0.972,539 0.467,540 0.351,541 0.168,542 0.128,543 0.097,544 0.056,545 2457,546 7694,547 2.028,548 43.3,550 8,551 1,552 2,553 2,558 1.566,559 1.925,560 2.935,561 0.468,563 1,565 1,567 49.327,568 1.644,569 3.652,570 4.374,571 4.64,572 4.707,573 4.707,574 2.207,575 3.455,576 4.063,577 3.091,578 420.34,579 6.849,580 3965.33,582 1,585 147.207,586 1.261,587 4.03,588 0.139,590 0.068,591 0.049,592 0.026,593 0.025,594 0.014,595 0.01,596 0.008,597 0.009,598 0.347,599 0.5,600 1,601 0.844,602 71.463,603 -0.096,604 -0.216,605 0.032,606 -0.096,607 -0.103,608 -0.015,609 -0.056,610 0.133,611 -0.061,612 0.021,613 0.095,614 -0.01,615 -0.106,616 -0.021,617 -0.111,618 -0.067,619 -0.094,620 -0.087,621 0.132,622 -0.215,623 -0.071,624 -0.245,625 0.121,626 -0.207,627 -0.153,628 -0.08,629 -0.144,630 -0.055,631 -0.146,632 -0.097,633 -0.126,634 -0.068,635 -0.035,636 0.036,637 -0.184,638 0.02,639 0.102,640 0.229,641 0.154,642 0.236,643 -0.04,644 0.206,645 -0.016,646 -0.162,647 0.088,648 -0.062,649 0.105,650 0.025,651 2.15,652 4.141,653 0.647,654 11.066,655 1.013,656 1.133,657 0.909,658 0.826,659 0.658,660 2.944,661 3.178,662 3.367,663 3.526,664 3.466,665 3.332,666 3.332,667 3.332,668 3.332,669 3.258,670 4.889,671 0.638,672 231.28,673 2.944,674 4.419,675 5.22,676 6.047,677 6.864,678 7.694,679 8.515,680 9.346,681 10.168,682 11,683 10,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,711 1,722 1,724 30,726 12,727 1,728 18,730 31,731 12,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 13,773 4,774 2,775 5,778 1,779 3,784 1,785 2,801 1,802 1,832 2,840 17,841 1,846 2,848 1,862 6.7,865 1,867 1,869 8.833,870 5.15,871 3.889,872 1.603,874 2.051,875 1.352,876 0.959,877 3.778,878 7.874,879 3.239,880 3.755,881 4.25,882 4.722,883 4.88,884 4.783,885 4.935,886 4.996,887 5.29,888 5.558,889 0.8,890 20,891 6.224,893 2.528,894 7.941,895 11.603,897 8.887,899 2.441,900 41.5,901 0.001,904 129.482,905 84.45,906 51.582,908 36.145,911 84.45,912 165.627,913 51.582,915 39.595,916 46.952,917 78.796,918 30.375,919 11.771,920 94.169,922 129.482,923 136.032,924 36.145,927 129.482,928 36.145,931 59.16,932 60.086,933 16.786,935 129.482,936 87.727,937 84.45,940 129.482,941 19.832,942 66.518,944 85.828,945 129.482,946 87.727,947 84.45,949 0.561,950 0.32,951 0.171,952 0.072,953 10,954 4,955 0.161,956 5,958 1,959 3.042,960 107.761,962 11,963 69.487,968 11.674,969 5.501,970 3.076,972 85.828,973 12.203,974 3.927,978 0.915,979 1.896,980 32.897,981 301.659,982 24.5,987 11.141,991 -0.483,994 30.378,995 33.99,996 0.335,997 0.744,998 0.891,999 0.946,1000 0.959,1001 0.959,1002 4.404,1003 0.618,1004 5.153,1005 1.936,1006 3.85,1007 4.437,1008 1.481,1009 5.866,1010 3.76,1011 5.569,1012 -0.033,1013 6.65,1014 1.372,1015 3.219,1016 3.98,1018 6.637,1019 3.12,1020 6.833,1021 -0.641,1022 8.257,1023 -0.078,1024 5.333,1025 6.528,1026 1.37,1027 9.698,1028 5.166,1029 8.138,1030 -0.882,1031 9.932,1032 -1.509,1033 5.602,1034 6.98,1036 11.386,1037 5.434,1038 9.478,1039 -1,1040 11.655,1041 -2,1042 7.114,1043 8.902,1044 1.275,1045 13.924,1046 6.898,1047 10.843,1048 -1.298,1049 13.41,1050 -2.115,1051 7.804,1052 9.781,1054 15.962,1055 7.59,1056 12.226,1057 -1.618,1058 15.188,1059 -2.885,1060 9.062,1061 11.423,1062 1.193,1063 18.331,1064 8.817,1065 2.959,1066 -1.683,1067 16.983,1068 -4.371,1069 9.953,1070 12.519,1072 20.508,1073 9.708,1074 2.54,1075 9.738,1076 18.79,1077 -4.372,1078 11.102,1079 14.025,1080 1.123,1081 22.817,1082 10.837,1083 2,1084 6.998,1085 20.607,1086 3.928,1087 12.088,1088 15.235,1090 25.051,1091 11.821,1092 1.569,1093 5.318,1094 22.431,1095 3.478,1096 13.192,1097 16.672,1098 1.062,1099 27.34,1100 12.911,1101 1.337,1102 3.308,1103 24.262,1104 2.597,1105 14.224,1106 17.945,1108 29.597,1109 13.938,1110 1,1111 2.882,1112 26.097,1113 2.115,1114 15.311,1115 19.346,1116 1.01,1117 31.878,1118 15.013,1119 0.883,1120 2.305,1121 27.936,1122 1.759,1123 16.365,1124 20.655,1126 34.145,1127 16.061,1128 2481,1129 4467,1130 12.019,1131 19.733,1132 26.306,1133 26.464,1134 26.374,1135 25.816,1136 25.812,1137 34.7,1138 3.68,1139 67.715,1140 24.622,1141 5.195,1142 5.55,1143 6.094,1144 5.029,1145 4.959,1146 6.928,1147 1.96,1148 16.187,1149 4.912,1150 6.819,1151 1.461,1152 1.47,1153 1.465,1154 1.434,1155 1.434,1156 1.928,1157 0.204,1158 3.762,1159 1.368,1160 3.962,1161 4.01,1162 3.906,1163 3.854,1164 7.437,1165 3.86,1166 3.887,1167 3.926,1168 3.831,1169 3.697,1170 4.966,1171 3.725,1172 3.356,1173 3.413,1174 3.263,1175 3.141,1176 4.91,1177 3.143,1178 3.332,1179 3.388,1180 3.197,1181 3.079,1182 4.766,1183 3.116,1184 2.849,1185 2.906,1186 2.713,1187 2.708,1188 4.329,1189 2.699,1190 2.688,1191 2.778,1192 2.518,1193 2.43,1194 3.69,1195 2.448,1196 2.502,1197 2.603,1198 2.286,1199 2.308,1200 3.582,1201 2.291,1202 2.4,1203 2.516,1204 2.196,1205 2.077,1206 3.343,1207 2.085,1208 0.24,1209 0.197,1210 0.356,1211 0.219,1212 0.164,1213 4.317,1214 0.218,1215 3.55,1216 0.054,1217 6.403,1218 0.541,1219 3.943,1220 0.162,1221 2.959,1222 3.928,1223 0.98,1224 9.738,1225 2.912,1226 1.897,1227 1.878,1228 1.999,1229 2.008,1230 1.115,1231 2.003,1232 1.627,1233 1.559,1234 1.825,1235 1.861,1236 1.04,1237 1.853,1238 1.309,1239 1.244,1240 1.5,1241 1.536,1242 0.528,1243 1.521,1244 1.214,1245 1.171,1246 1.404,1247 1.527,1248 0.317,1249 1.501,1250 1.098,1251 1.033,1252 1.332,1253 1.384,1254 0.253,1255 1.376,1256 0.826,1257 0.763,1258 1.116,1259 1.016,1260 0.15,1261 1.055,1262 0.622,1263 0.532,1264 0.945,1265 0.909,1267 0.927,1268 0.279,1269 0.14,1270 0.817,1271 0.662,1273 0.715,1274 3.611,1276 4.86,1277 2.398,1278 6.293,1279 4.443,1280 7.816,1281 6.26,1282 9.388,1288 5.247,1290 1.133,1292 5.522,1300 19.128,1301 49.327,1302 109.555,1303 131.207,1304 139.207,1305 141.207,1306 141.207,1307 23.845,1308 5.823,1309 70.14,1310 70.14,1311 11,1312 11.573,1313 3.7,1314 2.907,1315 28.548,1316 49,1317 40,1318 0.284,1319 121.903,1320 204.38,1321 289.203,1322 2157,1324 12.088,1325 0.711,1326 0.544,1327 12.088,1328 9.244,1329 8.271,1330 0.459,1331 0.291,1332 5.143,1333 7.852,1334 5.061,1335 4.204,1336 8.271,1337 5.245,1338 7.034,1339 0.306,1340 0.153,1341 7.034,1342 3.509,1343 5.486,1344 0.196,1345 0.083,1346 5.486,1347 2.319,1348 4.44,1349 0.135,1350 0.045,1351 4.44,1352 1.476,1353 2.827,1354 0.091,1355 0.026,1356 2.827,1357 0.803,1358 0.444,1359 52.512,1360 0.288,1361 17.44,1362 0.777,1363 82,1364 282.074,1365 92.309,1366 268,1367 356.58,1368 250,1369 92,1370 252.866,1371 102.228,1372 254.287,1373 364.12,1374 238,1375 4.658} {0 CHEMBL33407,1 1.658,2 8.118,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.728,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.283,19 3.281,20 4.113,21 4.299,22 3.245,23 3.304,24 5.254,25 3.253,26 4.077,27 4.274,28 3.128,29 3.164,30 5.244,31 3.114,32 3.995,33 4.214,34 3.031,35 2.996,36 5.241,37 2.942,38 3.727,39 3.953,40 2.77,41 2.902,42 4.733,43 2.828,44 3.662,45 3.858,46 2.783,47 2.878,48 4.816,49 2.816,50 3.641,51 3.875,52 2.651,53 2.745,54 4.811,55 2.668,56 0.086,57 0.411,58 5.241,59 2.477,60 9.69,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 34.55,67 4.478,68 0.335,69 0.64,70 12.996,71 4.77,72 24.069,73 5.988,74 0.298,75 0.584,76 13.009,77 4.574,78 36.432,79 5.798,80 0.51,81 0.513,82 13.118,83 3.967,84 46.228,85 5.346,86 0.221,87 0.44,88 9.433,89 3.177,90 25.74,91 4.307,92 0.191,93 0.426,94 8.227,95 2.94,96 27.323,97 3.856,98 0.292,99 0.395,100 8.941,101 2.667,102 28.206,103 3.736,104 6,105 23,106 0.32,107 0.699,108 0.856,109 0.909,110 0.909,111 0.909,112 2.905,113 0.862,114 -2.54,115 -2.57,116 -2.51,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 4,181 2,185 1,186 4,191 2,194 2,195 1,198 2,199 1,203 1,207 1,209 2,210 3,213 1,215 1,222 2,234 3,235 1,246 1,247 2,250 1,259 1,260 1,270 322,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.994,277 10.644,278 7.067,279 11.814,280 8.901,281 8.901,282 8.901,283 8.901,284 8.901,285 6.703,286 9.763,287 3.364,288 9.411,289 3.2,290 1.229,291 0.414,292 0.138,293 0.138,294 0.138,295 3.561,299 1,300 1,301 287,302 2.739,305 50.885,306 59.385,313 1.301,314 18.872,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 138,327 4.194,328 3.58,329 5.975,330 3.806,331 2.817,332 3.79,333 1.437,334 8.464,335 2.78,336 3.92,337 2.887,338 5.358,339 3.458,340 2.544,341 3.478,342 0.86,343 7.007,344 2.322,345 3.622,346 2.626,347 5.231,348 3.232,349 2.284,350 2.929,352 6.514,353 2.149,354 2.871,355 1.993,356 3.805,357 2.443,358 1.492,359 1.969,361 3.205,362 1.406,363 2.695,364 1.539,365 3.575,366 2.266,367 1.306,368 1.755,370 2.867,371 1.246,372 2.53,373 1.222,374 3.436,375 2.005,376 1,377 1.475,379 2.324,380 0.994,381 2.128,382 1.089,383 3.157,384 1.794,385 0.882,386 1.066,388 1.949,389 0.798,390 2.118,391 0.618,392 3,393 1.553,394 0.618,395 0.927,397 1.372,398 0.577,399 1.119,400 0.436,401 2.519,402 0.818,403 -0.098,404 -0.115,406 -0.239,407 -0.089,408 0.744,409 0.121,410 2,411 0.292,412 -0.695,413 -0.891,415 -1.634,416 -0.659,417 0.55,418 -0.441,419 1.837,420 0.125,421 -0.837,422 -1.069,424 -2,425 -0.797,426 0.409,427 -0.684,428 1.465,429 -0.018,430 -1,431 -1.431,433 -2.303,434 -0.981,435 0.029,436 -1.153,437 1.306,438 -0.341,439 -1.28,440 -1.581,442 -2.901,443 -1.207,444 -0.118,445 -1.379,446 1,447 -0.691,448 -1.618,449 -1.995,451 -4.314,452 -1.468,453 -0.383,454 -1.618,455 1,456 -0.708,457 -1.641,458 -2.295,460 -4.372,461 -1.51,462 7.8,463 0.459,464 0.332,465 0.02,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.181,473 0.54,474 18.6,475 0.641,476 14.621,477 0.86,478 4.961,479 0.292,480 3.293,481 0.194,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.741,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.48,498 0.937,499 1.029,500 0.959,501 1.084,502 1.087,503 0.761,504 1.099,505 1.14,506 1.135,507 1.078,508 1.225,509 1.123,510 1.159,511 0.888,512 0.837,513 0.941,514 0.881,515 0.783,516 0.923,517 0.895,518 0.927,519 0.957,520 0.877,521 0.84,522 0.922,523 0.953,524 1.182,525 1.063,526 1.079,527 1.249,528 1.1,529 0.856,530 0.762,531 1.026,532 0.755,533 1.26,534 0.9,535 3,536 0.04,537 1.333,538 0.722,539 0.467,540 0.406,541 0.127,542 0.085,543 0.115,544 0.062,545 2565,546 8744,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.562,559 1.925,560 3.059,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.444,571 4.72,572 4.72,573 4.72,574 2.469,575 3.499,576 4.062,577 3.202,578 435.522,579 6.831,580 4119.39,582 1,585 140.881,586 1.261,587 4.03,588 0.167,589 0.01,590 0.058,591 0.038,592 0.029,593 0.029,594 0.011,595 0.007,596 0.011,597 0.008,598 0.368,599 0.5,600 1,601 0.844,602 72.153,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.098,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.18,614 -0.034,615 -0.096,616 0.006,617 -0.148,618 -0.095,619 -0.032,620 -0.125,621 -0.131,622 -0.234,623 -0.097,624 -0.245,625 -0.116,626 -0.176,627 0.247,628 0.033,629 0.116,630 0.062,631 0.152,632 0.055,633 -0.108,634 0.016,635 0.012,636 0.104,637 -0.079,638 0.092,639 -0.144,640 -0.2,641 -0.139,642 -0.093,643 -0.216,644 -0.117,645 0.041,646 0.203,647 -0.02,648 0.173,649 -0.161,650 0.074,651 2.62,652 3.746,653 0.647,654 11.585,655 1.021,656 1.128,657 1.315,658 1.729,659 0.661,660 2.944,661 3.178,662 3.332,663 3.466,664 3.466,665 3.367,666 3.367,667 3.258,668 3.332,669 3.296,670 5.141,671 0.649,672 232.26,673 2.944,674 4.419,675 5.209,676 6.028,677 6.834,678 7.654,679 8.464,680 9.284,681 10.097,682 10.916,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.861,872 1.563,874 1.971,875 1.338,876 0.918,877 3.778,878 7.794,879 3.239,880 3.755,881 4.229,882 4.688,883 4.903,884 4.849,885 5.022,886 4.875,887 5.238,888 5.558,889 1,890 19,891 6.227,893 2.548,894 8.059,895 11.512,897 8.811,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.563,950 0.312,951 0.156,952 0.072,953 10,954 4,955 0.167,956 5,958 1,959 3.079,960 106.229,962 11,963 69.487,968 11.674,969 5.501,970 3.326,972 95.614,973 11.691,974 3.915,978 0.787,979 1.89,980 42.683,981 307.65,982 24.5,987 10.746,991 -0.954,994 29.604,995 32.701,996 0.341,997 0.747,998 0.915,999 0.972,1000 0.972,1001 0.972,1002 4.404,1003 0.618,1004 5.142,1005 1.949,1006 3.85,1007 4.437,1008 1.888,1009 5.82,1010 3.75,1011 5.569,1012 -0.098,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.088,1020 6.828,1021 -0.695,1022 8.194,1023 -0.239,1024 5.313,1025 6.515,1026 2.362,1027 9.462,1028 5.127,1029 8.125,1030 -0.837,1031 9.828,1032 -1.634,1033 5.525,1034 6.915,1036 10.932,1037 5.317,1038 9.451,1039 -1,1040 11.498,1041 -2,1042 7.033,1043 8.845,1044 2.965,1045 13.387,1046 6.785,1047 10.798,1048 -1.28,1049 13.193,1050 -2.303,1051 7.637,1052 9.647,1054 15.198,1055 7.376,1056 12.16,1057 -1.618,1058 14.905,1059 -2.901,1060 8.883,1061 11.298,1062 3.635,1063 17.449,1064 8.595,1065 2.817,1066 -1.641,1067 16.629,1068 -4.314,1069 9.683,1070 12.312,1072 19.419,1073 9.388,1074 2.544,1075 8.464,1076 18.362,1077 -4.372,1078 10.808,1079 13.819,1080 4.335,1081 21.591,1082 10.493,1083 2.284,1084 7.007,1085 20.101,1086 3.79,1087 11.709,1088 14.953,1090 23.639,1091 11.391,1092 1.492,1093 6.514,1094 21.845,1095 3.478,1096 12.776,1097 16.382,1098 5.05,1099 25.78,1100 12.445,1101 1.306,1102 3.205,1103 23.594,1104 2.929,1105 13.732,1106 17.587,1108 27.868,1109 13.398,1110 1,1111 2.867,1112 25.346,1113 1.969,1114 14.772,1115 18.972,1116 5.77,1117 30,1118 14.43,1119 0.882,1120 2.324,1121 27.102,1122 1.755,1123 15.758,1124 20.219,1126 32.108,1127 15.413,1128 2582,1129 4852,1130 12.019,1131 19.182,1132 26.378,1133 26.596,1134 26.186,1135 25.916,1136 25.886,1137 34.781,1138 4.593,1139 67.4,1140 24.545,1141 5.066,1142 5.58,1143 5.634,1144 4.89,1145 4.817,1146 6.79,1147 2.873,1148 14.273,1149 4.78,1150 6.985,1151 1.465,1152 1.478,1153 1.455,1154 1.44,1155 1.438,1156 1.932,1157 0.255,1158 3.744,1159 1.364,1160 3.958,1161 4.008,1162 3.9,1163 3.85,1164 7.475,1165 3.855,1166 3.885,1167 3.92,1168 3.831,1169 3.697,1170 6.351,1171 3.725,1172 3.384,1173 3.423,1174 3.298,1175 3.156,1176 4.962,1177 3.172,1178 3.24,1179 3.246,1180 3.129,1181 2.999,1182 4.812,1183 3.032,1184 2.849,1185 2.905,1186 2.712,1187 2.706,1188 4.3,1189 2.698,1190 2.607,1191 2.662,1192 2.46,1193 2.329,1194 3.69,1195 2.36,1196 2.506,1197 2.6,1198 2.292,1199 2.305,1200 3.573,1201 2.295,1202 2.401,1203 2.516,1204 2.204,1205 2.086,1206 3.351,1207 2.095,1208 0.233,1209 0.199,1210 0.332,1211 0.211,1212 0.157,1213 4.194,1214 0.211,1215 3.58,1216 0.08,1217 5.975,1218 0.47,1219 3.806,1220 0.154,1221 2.817,1222 3.79,1223 1.437,1224 8.464,1225 2.78,1226 1.892,1227 1.876,1228 1.994,1229 2.001,1230 1.113,1231 1.997,1232 1.628,1233 1.561,1234 1.825,1235 1.861,1236 1.039,1237 1.853,1238 1.309,1239 1.246,1240 1.5,1241 1.528,1242 0.528,1243 1.521,1244 1.143,1245 1.132,1246 1.334,1247 1.454,1248 0.317,1249 1.4,1250 1.065,1251 1.01,1252 1.244,1253 1.347,1254 0.227,1255 1.323,1256 0.813,1257 0.754,1258 1.078,1259 1.004,1260 0.139,1261 1.035,1262 0.501,1263 0.462,1264 0.835,1265 0.834,1267 0.845,1268 0.283,1269 0.145,1270 0.814,1271 0.652,1273 0.719,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.784,1281 6.26,1282 9.328,1289 8.817,1290 1.15,1292 5.458,1300 18.821,1301 48.087,1302 105.23,1303 128.881,1304 136.881,1305 136.881,1306 136.881,1307 24.575,1308 5.823,1309 64.35,1310 64.35,1311 11,1312 11.499,1313 3.7,1314 2.907,1315 28.666,1316 52,1317 40,1318 0.269,1319 119.105,1320 202.17,1321 282.375,1322 2157,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.254,1330 0.459,1331 0.287,1332 5.066,1333 7.8,1334 4.993,1335 4.137,1336 8.254,1337 5.174,1338 7.118,1339 0.309,1340 0.151,1341 7.118,1342 3.482,1343 5.466,1344 0.202,1345 0.084,1346 5.466,1347 2.258,1348 4.194,1349 0.135,1350 0.045,1351 4.194,1352 1.407,1353 2.808,1354 0.091,1355 0.025,1356 2.808,1357 0.773,1358 0.427,1359 52.699,1360 0.288,1361 17.605,1362 0.717,1363 82,1364 304.911,1365 93.496,1366 286.188,1367 375.76,1368 266,1369 91,1370 262.051,1371 101.724,1372 262.473,1373 374.92,1374 245,1375 6.276} {0 CHEMBL334255,1 1.046,2 14.773,3 7.585,4 57.529,5 98.683,6 5.077,7 0.273,8 4.082,9 4.245,10 3.284,11 3.593,12 4.816,13 3.475,14 4.699,15 4.946,16 3.428,17 3.965,18 5.302,19 3.773,20 5.025,21 5.351,22 3.373,23 4.074,24 5.503,25 3.82,26 4.983,27 5.316,28 3.248,29 4.01,30 5.435,31 3.74,32 4.923,33 5.258,34 3.186,35 3.946,36 5.368,37 3.675,38 4.86,39 5.195,40 3.128,41 3.884,42 5.31,43 3.614,44 4.794,45 5.128,46 3.067,47 3.819,48 5.247,49 3.549,50 4.722,51 5.056,52 3.001,53 3.748,54 5.18,55 3.48,56 0.073,57 0.785,58 15.048,59 6.389,60 8.116,61 9.287,62 0.129,63 1.241,64 24.513,65 10.174,66 12.402,67 14.906,68 0.15,69 1.464,70 29.644,71 12.522,72 14.413,73 18.225,74 0.135,75 1.376,76 27.905,77 12.014,78 12.509,79 17.364,80 0.124,81 1.287,82 26.114,83 11.313,84 11.589,85 16.314,86 0.117,87 1.21,88 24.54,89 10.607,90 11.038,91 15.309,92 0.111,93 1.132,94 22.966,95 9.901,96 10.488,97 14.304,98 0.104,99 1.054,100 21.392,101 9.195,102 9.938,103 13.298,104 17,105 23,106 0.175,107 0.324,108 0.444,109 0.536,110 0.617,111 0.692,112 3.142,113 1.36,114 -7.07,115 -6.87,116 -6.36,118 35,119 1,120 14,124 1,140 3,143 2,168 16,180 14,183 3,194 12,196 2,206 13,208 1,218 13,220 1,229 12,232 1,242 11,245 1,255 10,257 1,267 9,269 1,270 804,271 15.46,272 15.46,273 15.46,274 15.46,275 15.46,276 14.709,277 4.743,278 10.687,279 15.576,280 10.932,281 10.932,282 10.932,283 10.932,284 10.932,285 9.888,286 2.5,287 5.217,288 11.118,289 4.861,290 3.969,291 3.252,292 2.7,293 2.22,294 1.771,295 3.8,300 1,301 647,302 3.937,306 93.446,313 2.521,314 2.474,317 0.75,318 0.67,319 0.67,320 0.6,321 0.5,322 0.67,323 0.5,324 0.62,325 44.5,326 325,327 3.896,328 2.628,329 5.34,330 3.451,331 2.522,332 3.444,334 6.965,335 2.344,336 2.983,337 1.962,338 3.962,339 2.962,340 1.962,341 2.121,343 3.92,344 1.961,345 2.94,346 1.853,347 3.853,348 2.851,349 1.852,350 1.958,352 3.69,353 1.851,354 2.832,355 1.694,356 3.707,357 2.686,358 1.688,359 1.841,361 3.364,362 1.685,363 2.655,364 1.554,365 3.577,366 2.52,367 1.528,368 1.658,370 3.095,371 1.515,372 2.5,373 1.373,374 3.373,375 2.356,376 1.364,377 1.5,379 2.702,380 1.351,381 2.419,382 1.102,383 3.247,384 2.097,385 1.101,386 1.417,388 2.136,389 1.095,390 2.134,391 1,392 3.099,393 1.984,394 1,395 1.128,397 2.132,398 0.983,399 1.814,400 0.786,401 2.794,402 1.78,403 0.785,404 0.802,406 1.488,407 0.781,408 1.473,409 0.45,410 2.469,411 1.436,412 0.441,413 0.451,415 0.82,416 0.438,417 1.133,418 0.11,419 2.125,420 1.08,421 0.088,422 0.09,424 0.162,425 0.087,426 0.833,427 -0.219,428 1.768,429 0.735,430 -0.256,431 -0.265,433 -0.479,434 -0.253,435 0.578,436 -0.528,437 1.555,438 0.428,439 -0.563,440 -0.598,442 -1.083,443 -0.557,444 0.5,445 -0.818,446 1.416,447 0.17,448 -0.826,449 -0.897,451 -1.597,452 -0.823,453 0.288,454 -1,455 1.12,456 -0.049,457 -1,458 -1.169,460 -2.116,461 -0.946,462 10.9,463 0.495,464 0.068,465 0.003,466 16.75,467 0.761,468 5,469 0.227,470 11.75,471 0.534,472 25.158,473 1.144,474 27.2,475 0.453,476 6.011,477 0.273,478 2.027,479 0.092,480 8.905,481 0.405,482 0.046,484 0.037,487 1.201,488 1.532,489 1.32,490 1.421,491 1.086,492 1.383,493 1.54,494 1.387,495 1.361,496 1.353,497 1.062,498 1.351,499 1.043,500 0.977,501 0.983,502 0.974,503 0.848,504 0.976,505 0.904,506 0.959,507 0.975,508 0.976,509 0.848,510 0.978,511 0.805,512 0.944,513 0.945,514 0.96,515 0.796,516 0.958,517 0.823,518 0.945,519 0.946,520 0.959,521 0.819,522 0.957,523 0.844,524 0.946,525 0.948,526 0.958,527 0.844,528 0.957,529 0.867,530 0.947,531 0.949,532 0.957,533 0.874,534 0.957,535 1,536 0.021,537 0.444,538 0.188,539 0.151,540 0.09,541 0.06,542 0.043,543 0.033,544 0.026,545 6492,546 8451,547 1.974,548 63.3,549 29,550 5,552 2,555 2,558 1.629,559 1.941,560 3.865,561 -0.941,567 62.754,568 1.046,569 1.938,570 2.655,571 3.207,572 3.687,573 4.136,574 3.3,575 3.732,576 4.429,577 4.037,578 932.461,579 7.529,580 12550.6,585 354.413,586 0.53,587 4.442,588 0.045,589 0.002,590 0.019,591 0.009,592 0.008,593 0.005,594 0.004,595 0.003,596 0.002,597 0.002,598 0.1,599 0.5,600 0.75,601 3.446,602 110.004,603 0.13,604 -0.131,605 0.016,606 -0.058,607 0.198,608 -0.031,609 -0.135,610 -0.196,611 -0.198,612 -0.204,613 -0.007,614 -0.203,615 -0.015,617 -0.004,618 -0.001,619 0.036,620 -0.002,621 -0.028,622 -0.005,623 -0.019,624 -0.012,625 -0.031,626 -0.014,627 0.002,628 0.001,629 0.003,630 0.002,631 -0.002,632 0.003,633 0.001,634 0.001,635 0.003,636 0.002,637 -0.005,638 0.003,640 0.001,641 0.003,642 0.002,643 -0.009,644 0.002,645 -0.001,646 0.001,647 0.002,648 0.002,649 -0.013,650 0.002,651 0.321,652 0.292,653 0.273,654 27.14,655 0.966,656 1.136,657 5.842,658 34.133,659 0.602,660 3.135,661 3.178,662 3.219,663 3.258,664 3.296,665 3.091,666 3.045,667 2.996,668 2.944,669 2.89,670 8.635,671 0.529,672 304.6,673 3.135,674 4.511,675 5.22,676 5.943,677 6.666,678 7.397,679 8.127,680 8.864,681 9.6,682 10.342,683 1.7,693 1,699 5,705 1,706 6,724 60,726 6,728 22,730 60,731 21,733 5,739 1,740 1,745 1,751 14,753 5,754 16,772 38,775 1,779 1,780 1,784 1,795 1,802 1,832 1,836 1,840 22,846 15,869 11.333,870 10.417,871 5.5,872 4.736,874 0.959,875 1.164,876 0.904,877 13.39,878 6.814,879 3.258,880 3.481,881 3.755,882 4.071,883 4.418,884 3.943,885 3.923,886 3.903,887 3.883,888 3.862,889 0.9,890 21,891 8.23,893 3.08,894 7.159,895 17.197,897 13.488,899 1.659,900 36.5,901 0.004,904 447.302,905 92.938,906 1.899,911 92.938,912 447.302,913 1.899,914 8.825,915 37.589,916 28.429,917 25.441,918 18.095,920 423.76,922 447.302,923 94.837,927 423.76,928 23.542,931 64.509,932 28.429,933 1.899,935 447.302,936 1.899,937 92.938,940 447.302,941 37.589,942 57.248,945 447.302,946 1.899,947 92.938,949 0.506,950 0.261,951 0.132,952 0.067,953 4,954 1,955 0.25,956 15,958 1,959 3.895,960 125.549,962 6,963 88.107,968 19.359,969 15.217,970 12.567,973 10.653,979 2.292,981 542.139,982 25,994 57.948,995 68.18,996 0.177,997 0.328,998 0.449,999 0.543,1000 0.624,1001 0.7,1002 4.337,1003 1,1004 4.99,1005 2.136,1006 3.85,1007 4.159,1009 5.407,1010 3.812,1011 5.31,1012 0.785,1013 6.279,1014 2.132,1015 1.946,1016 2.674,1018 5.094,1019 1.682,1020 6.419,1021 0.441,1022 7.653,1023 1.488,1024 5.043,1025 5.867,1027 8.457,1028 4.941,1029 7.561,1030 0.088,1031 9.091,1032 0.82,1033 4.111,1034 5.493,1036 9.405,1037 3.648,1038 8.749,1039 -0.256,1040 10.581,1041 0.162,1042 6.444,1043 7.957,1045 11.937,1046 6.243,1047 9.972,1048 -0.563,1049 12.115,1050 -0.479,1051 6.168,1052 8.179,1054 13.454,1055 5.562,1056 11.224,1057 -0.826,1058 13.683,1059 -1.083,1060 7.98,1061 10.243,1063 15.648,1064 7.646,1065 2.522,1066 -1,1067 15.279,1068 -1.597,1069 8.139,1070 10.79,1072 17.408,1073 7.402,1074 1.962,1075 6.965,1076 16.897,1077 -2.116,1078 9.617,1079 12.614,1081 19.46,1082 9.12,1083 1.852,1084 3.92,1085 18.531,1086 3.444,1087 10.062,1088 13.356,1090 21.323,1091 9.194,1092 1.688,1093 3.69,1094 20.176,1095 2.121,1096 11.327,1097 15.023,1099 23.313,1100 10.652,1101 1.528,1102 3.364,1103 21.83,1104 1.958,1105 11.955,1106 15.895,1108 25.219,1109 10.955,1110 1.364,1111 3.095,1112 23.49,1113 1.841,1114 13.089,1115 17.452,1117 27.183,1118 12.228,1119 1.101,1120 2.702,1121 25.155,1122 1.658,1123 13.832,1124 18.416,1126 29.108,1127 12.697,1128 6680,1129 7728,1130 14.962,1131 36.092,1132 28.569,1133 28.622,1134 29.093,1135 28.707,1136 28.66,1137 32.823,1139 60.945,1140 28.184,1141 4.869,1142 4.628,1143 5.33,1144 4.486,1145 4.522,1146 6.444,1148 11.754,1149 4.314,1150 6.713,1151 1.299,1152 1.301,1153 1.322,1154 1.305,1155 1.303,1156 1.492,1158 2.77,1159 1.281,1160 3.962,1161 4.019,1162 3.878,1163 3.823,1164 4.801,1165 3.828,1166 3.829,1167 3.893,1168 3.667,1169 3.712,1170 4.259,1171 3.694,1172 3.732,1173 3.798,1174 3.561,1175 3.613,1176 4.171,1177 3.592,1178 3.62,1179 3.691,1180 3.438,1181 3.494,1182 4.072,1183 3.471,1184 3.475,1185 3.552,1186 3.278,1187 3.336,1188 3.941,1189 3.312,1190 3.308,1191 3.394,1192 3.095,1193 3.151,1194 3.79,1195 3.126,1196 3.129,1197 3.223,1198 2.901,1199 2.949,1200 3.674,1201 2.923,1202 2.946,1203 3.05,1204 2.701,1205 2.743,1206 3.617,1207 2.718,1208 0.177,1209 0.119,1210 0.243,1211 0.157,1212 0.115,1213 3.896,1214 0.157,1215 2.628,1217 5.34,1218 0.317,1219 3.451,1220 0.107,1221 2.522,1222 3.444,1224 6.965,1225 2.344,1226 1.908,1227 1.857,1228 2.091,1229 2.075,1230 1.453,1231 2.076,1232 1.833,1233 1.774,1234 2.059,1235 1.985,1236 1.389,1237 2.019,1238 1.76,1239 1.698,1240 2.004,1241 1.918,1242 1.289,1243 1.954,1244 1.651,1245 1.584,1246 1.919,1247 1.818,1248 1.166,1249 1.857,1250 1.509,1251 1.436,1252 1.805,1253 1.691,1254 1.044,1255 1.735,1256 1.343,1257 1.262,1258 1.669,1259 1.546,1260 0.924,1261 1.593,1262 1.162,1263 1.071,1264 1.519,1265 1.389,1266 0.775,1267 1.439,1268 0.977,1269 0.876,1270 1.367,1271 1.23,1272 0.611,1273 1.282,1274 3.807,1276 4.92,1278 6.192,1280 7.544,1282 8.942,1284 2.292,1290 21.263,1300 31.767,1301 62.754,1302 116.281,1303 159.278,1304 192.4,1305 221.22,1306 248.149,1307 47.209,1308 5.855,1309 3.88,1310 3.88,1311 6,1312 10.991,1313 2.807,1314 2,1315 59.03,1316 115,1317 110,1318 0.236,1319 204.292,1320 353,1321 490.233,1322 2746,1324 15.719,1325 0.715,1326 0.682,1327 15.719,1328 14.993,1329 10.932,1330 0.497,1331 0.453,1332 9.94,1333 10.825,1334 9.705,1335 8.289,1336 10.932,1337 9.971,1338 7.889,1339 0.343,1340 0.297,1341 7.889,1342 6.832,1343 5.691,1344 0.237,1345 0.194,1346 5.691,1347 4.662,1348 4.103,1349 0.164,1350 0.127,1351 4.103,1352 3.168,1353 2.958,1354 0.114,1355 0.082,1356 2.958,1357 2.145,1358 0.408,1359 66.203,1360 0.259,1361 23.672,1362 0.556,1363 90,1364 124.333,1365 92.082,1366 128.205,1367 177.67,1368 122,1369 92,1370 128.254,1371 94.498,1372 132.535,1373 184.2,1374 126,1375 5.19} {0 CHEMBL33514,1 1.658,2 7.529,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.729,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.277,19 3.281,20 4.114,21 4.299,22 3.288,23 3.306,24 5.243,25 3.266,26 4.095,27 4.271,28 3.255,29 3.191,30 5.415,31 3.16,32 4.033,33 4.242,34 3.011,35 3.061,36 5.192,37 3.007,38 3.853,39 4.079,40 2.806,41 2.945,42 4.934,43 2.869,44 3.716,45 3.939,46 2.847,47 2.896,48 4.875,49 2.835,50 3.573,51 3.78,52 2.789,53 2.787,54 4.847,55 2.746,56 0.086,57 0.411,58 5.241,59 2.477,60 9.716,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 34.525,67 4.478,68 0.322,69 0.64,70 12.975,71 4.766,72 25.162,73 5.999,74 0.45,75 0.59,76 13.056,77 4.568,78 41.737,79 5.733,80 0.392,81 0.541,82 13.208,83 4.15,84 43.052,85 5.284,86 0.295,87 0.478,88 11.089,89 3.508,90 42.205,91 4.675,92 0.291,93 0.442,94 9.377,95 2.977,96 27.604,97 4.127,98 0.128,99 0.396,100 7.376,101 2.63,102 9.713,103 3.601,104 6,105 23,106 0.32,107 0.699,108 0.843,109 0.896,110 0.909,111 0.909,112 2.906,113 0.863,114 -2.54,115 -2.57,116 -2.51,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 4,181 1,185 1,186 3,187 1,191 1,194 2,195 2,197 1,198 3,201 1,203 2,207 1,209 1,210 3,215 1,222 2,223 1,233 1,234 3,237 1,247 2,248 1,258 1,259 1,262 1,270 325,271 11.535,272 11.535,273 11.535,274 11.535,275 11.535,276 10.018,277 10.644,278 7.122,279 11.859,280 8.895,281 8.895,282 8.895,283 8.895,284 8.895,285 6.685,286 10.36,287 3.359,288 9.395,289 3.2,290 1.229,291 0.483,292 0.207,293 0.138,294 0.138,295 3.561,299 1,300 1,301 266,302 2.739,305 48.936,306 59.385,313 1.142,314 19.443,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 128,327 4.317,328 3.618,329 6.403,330 3.938,331 2.959,332 3.928,333 1.437,334 9.738,335 2.891,336 3.919,337 2.887,338 5.353,339 3.453,340 2.54,341 3.478,342 0.86,343 6.998,344 2.318,345 3.376,346 2.63,347 4.91,348 2.963,349 2,350 2.597,352 5.318,353 1.906,354 2.948,355 1.89,356 3.779,357 2.526,358 1.569,359 2.115,361 3.308,362 1.491,363 2.696,364 1.43,365 3.564,366 2.285,367 1.337,368 1.759,370 2.882,371 1.262,372 2.532,373 1.314,374 3.466,375 2.005,376 1,377 1.476,379 2.305,380 0.994,381 2.137,382 1.098,383 3.156,384 1.797,385 0.883,386 1.071,388 1.936,389 0.8,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.207,400 0.464,401 2.511,402 0.895,403 -0.033,404 -0.039,406 -0.078,407 -0.03,408 0.722,409 0.182,410 2,411 0.313,412 -0.641,413 -0.778,415 -1.509,416 -0.592,417 0.546,418 -0.332,419 1.89,420 0.1,421 -0.882,422 -1.185,424 -2,425 -0.855,426 0.407,427 -0.786,428 1.569,429 -0.018,430 -1,431 -1.432,433 -2.115,434 -0.981,435 0.021,436 -1.17,437 1.191,438 -0.359,439 -1.298,440 -1.583,442 -2.885,443 -1.22,444 -0.118,445 -1.42,446 1,447 -0.702,448 -1.618,449 -2.107,451 -4.371,452 -1.473,453 -0.391,454 -1.618,455 1,456 -0.723,457 -1.683,458 -2.213,460 -4.372,461 -1.539,462 7.8,463 0.459,464 0.315,465 0.019,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.302,473 0.547,474 18.6,475 0.641,476 14.782,477 0.87,478 4.976,479 0.293,480 3.295,481 0.194,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.739,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.492,498 0.937,499 1.002,500 0.96,501 1.008,502 1.078,503 0.764,504 1.051,505 0.981,506 1.103,507 1.021,508 1.194,509 0.916,510 1.138,511 1.294,512 0.939,513 1.146,514 0.996,515 1.223,516 1.037,517 1.13,518 0.972,519 1.075,520 0.889,521 1.384,522 0.962,523 0.77,524 0.784,525 0.89,526 0.708,527 1.111,528 0.811,529 0.711,530 1.204,531 0.851,532 1.138,533 0.747,534 1.034,535 2.5,537 1.556,538 0.972,539 0.467,540 0.351,541 0.168,542 0.128,543 0.097,544 0.056,545 2457,546 8264,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.566,559 1.925,560 2.935,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.375,571 4.651,572 4.72,573 4.72,574 2.207,575 3.455,576 4.063,577 3.091,578 420.34,579 6.849,580 3965.33,582 1,585 140.881,586 1.261,587 4.03,588 0.139,590 0.068,591 0.049,592 0.026,593 0.025,594 0.014,595 0.01,596 0.008,597 0.009,598 0.347,599 0.5,600 1,601 0.844,602 71.463,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.096,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.168,614 -0.034,615 -0.068,616 0.005,617 -0.069,618 -0.086,619 -0.034,620 -0.075,621 0.143,622 -0.193,623 -0.038,624 -0.216,625 0.111,626 -0.178,627 -0.156,628 -0.054,629 -0.116,630 -0.047,631 -0.15,632 -0.072,633 -0.185,634 -0.068,635 -0.066,636 0.073,637 -0.234,638 0.034,639 0.066,640 0.198,641 0.086,642 0.246,643 -0.103,644 0.175,645 -0.013,646 -0.192,647 0.069,648 -0.166,649 0.079,650 -0.044,651 2.65,652 3.918,653 0.647,654 11.066,655 1.021,656 1.128,657 1.315,658 1.729,659 0.661,660 2.944,661 3.178,662 3.367,663 3.526,664 3.466,665 3.332,666 3.332,667 3.332,668 3.332,669 3.258,670 4.889,671 0.649,672 232.26,673 2.944,674 4.419,675 5.22,676 6.047,677 6.864,678 7.694,679 8.515,680 9.346,681 10.168,682 11,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.889,872 1.569,874 2.051,875 1.352,876 0.918,877 3.778,878 7.874,879 3.239,880 3.755,881 4.25,882 4.722,883 4.88,884 4.783,885 4.935,886 4.996,887 5.29,888 5.558,889 0.8,890 20,891 6.236,893 2.56,894 8.059,895 11.512,897 8.815,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.561,950 0.32,951 0.171,952 0.072,953 10,954 4,955 0.167,956 5,958 1,959 3.042,960 107.761,962 11,963 69.487,968 11.674,969 5.501,970 3.076,972 95.614,973 11.793,974 3.907,978 0.568,979 1.864,980 42.683,981 307.65,982 24.5,987 10.918,991 -0.983,994 29.604,995 32.701,996 0.341,997 0.747,998 0.901,999 0.957,1000 0.972,1001 0.972,1002 4.404,1003 0.618,1004 5.153,1005 1.936,1006 3.85,1007 4.437,1008 1.888,1009 5.866,1010 3.75,1011 5.569,1012 -0.033,1013 6.65,1014 1.372,1015 3.219,1016 3.98,1018 6.637,1019 3.088,1020 6.833,1021 -0.641,1022 8.257,1023 -0.078,1024 5.333,1025 6.528,1026 2.362,1027 9.698,1028 5.146,1029 8.138,1030 -0.882,1031 9.932,1032 -1.509,1033 5.602,1034 6.98,1036 11.386,1037 5.393,1038 9.478,1039 -1,1040 11.655,1041 -2,1042 7.114,1043 8.902,1044 2.965,1045 13.924,1046 6.865,1047 10.843,1048 -1.298,1049 13.41,1050 -2.115,1051 7.804,1052 9.781,1054 15.962,1055 7.539,1056 12.226,1057 -1.618,1058 15.188,1059 -2.885,1060 9.062,1061 11.423,1062 3.635,1063 18.331,1064 8.768,1065 2.959,1066 -1.683,1067 16.983,1068 -4.371,1069 9.953,1070 12.519,1072 20.508,1073 9.645,1074 2.54,1075 9.738,1076 18.79,1077 -4.372,1078 11.102,1079 14.025,1080 4.335,1081 22.817,1082 10.772,1083 2,1084 6.998,1085 20.607,1086 3.928,1087 12.088,1088 15.235,1090 25.051,1091 11.744,1092 1.569,1093 5.318,1094 22.431,1095 3.478,1096 13.192,1097 16.672,1098 5.05,1099 27.34,1100 12.829,1101 1.337,1102 3.308,1103 24.262,1104 2.597,1105 14.224,1106 17.945,1108 29.597,1109 13.846,1110 1,1111 2.882,1112 26.097,1113 2.115,1114 15.311,1115 19.346,1116 5.77,1117 31.878,1118 14.915,1119 0.883,1120 2.305,1121 27.936,1122 1.759,1123 16.365,1124 20.655,1126 34.145,1127 15.954,1128 2481,1129 4635,1130 12.019,1131 19.182,1132 26.306,1133 26.519,1134 26.374,1135 25.84,1136 25.812,1137 34.7,1138 4.593,1139 67.715,1140 24.476,1141 5.195,1142 5.618,1143 6.094,1144 5.023,1145 4.959,1146 6.928,1147 2.873,1148 16.187,1149 4.891,1150 6.819,1151 1.461,1152 1.473,1153 1.465,1154 1.436,1155 1.434,1156 1.928,1157 0.255,1158 3.762,1159 1.36,1160 3.96,1161 4.008,1162 3.904,1163 3.851,1164 7.475,1165 3.856,1166 3.885,1167 3.919,1168 3.83,1169 3.696,1170 6.351,1171 3.725,1172 3.35,1173 3.409,1174 3.232,1175 3.141,1176 4.961,1177 3.143,1178 3.279,1179 3.267,1180 3.195,1181 3.02,1182 4.804,1183 3.064,1184 2.849,1185 2.906,1186 2.713,1187 2.707,1188 4.33,1189 2.699,1190 2.635,1191 2.692,1192 2.489,1193 2.352,1194 3.69,1195 2.383,1196 2.489,1197 2.579,1198 2.281,1199 2.285,1200 3.588,1201 2.282,1202 2.376,1203 2.484,1204 2.184,1205 2.065,1206 3.344,1207 2.074,1208 0.24,1209 0.201,1210 0.356,1211 0.219,1212 0.164,1213 4.317,1214 0.218,1215 3.618,1216 0.08,1217 6.403,1218 0.541,1219 3.938,1220 0.161,1221 2.959,1222 3.928,1223 1.437,1224 9.738,1225 2.891,1226 1.892,1227 1.876,1228 1.995,1229 2.002,1230 1.114,1231 1.997,1232 1.627,1233 1.559,1234 1.825,1235 1.859,1236 1.038,1237 1.852,1238 1.309,1239 1.244,1240 1.5,1241 1.527,1242 0.528,1243 1.52,1244 1.126,1245 1.122,1246 1.333,1247 1.429,1248 0.317,1249 1.378,1250 1.092,1251 1.031,1252 1.25,1253 1.384,1254 0.228,1255 1.357,1256 0.822,1257 0.761,1258 1.095,1259 1.012,1260 0.141,1261 1.047,1262 0.482,1263 0.449,1264 0.849,1265 0.824,1267 0.828,1268 0.261,1269 0.126,1270 0.739,1271 0.627,1273 0.686,1274 3.611,1276 4.86,1277 2.398,1278 6.293,1279 4.443,1280 7.816,1281 6.26,1282 9.388,1289 8.954,1290 1.036,1292 5.442,1300 18.821,1301 48.087,1302 105.23,1303 126.881,1304 134.881,1305 136.881,1306 136.881,1307 25.539,1308 5.823,1309 64.35,1310 64.35,1311 11,1312 11.573,1313 3.7,1314 2.907,1315 28.548,1316 49,1317 40,1318 0.284,1319 119.105,1320 202.17,1321 282.375,1322 2157,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.271,1330 0.459,1331 0.288,1332 5.072,1333 7.821,1334 5.001,1335 4.145,1336 8.271,1337 5.18,1338 7.034,1339 0.306,1340 0.15,1341 7.034,1342 3.45,1343 5.486,1344 0.196,1345 0.082,1346 5.486,1347 2.284,1348 4.44,1349 0.135,1350 0.044,1351 4.44,1352 1.449,1353 2.827,1354 0.091,1355 0.025,1356 2.827,1357 0.786,1358 0.444,1359 52.8,1360 0.288,1361 17.44,1362 0.777,1363 82,1364 304.911,1365 93.496,1366 285.994,1367 376.34,1368 266,1369 92,1370 263.051,1371 103.056,1372 263.192,1373 378.1,1374 246,1375 5} {0 CHEMBL335687,1 1.517,2 6.474,3 1.902,4 3.619,5 73.159,6 7.853,7 0.571,8 3.576,9 3.69,10 3.204,11 3.175,12 4.74,13 3.157,14 4.062,15 4.225,16 3.538,17 3.53,18 5.181,19 3.501,20 4.28,21 4.476,22 3.654,23 3.635,24 5.446,25 3.604,26 4.257,27 4.437,28 3.584,29 3.576,30 5.488,31 3.55,32 4.222,33 4.396,34 3.478,35 3.566,36 5.396,37 3.515,38 4.213,39 4.414,40 3.267,41 3.528,42 5.276,43 3.415,44 4.21,45 4.483,46 2.828,47 3.288,48 5.219,49 3.101,50 3.818,51 4.163,52 1.872,53 2.672,54 4.587,55 2.389,56 0.028,57 0.475,58 5.625,59 2.725,60 4.5,61 3.448,62 0.108,63 0.756,64 10.549,65 4.256,66 10.948,67 5.607,68 0.154,69 0.906,70 14.447,71 5.358,72 23.974,73 7.16,74 0.183,75 0.88,76 13.996,77 4.963,78 30.823,79 6.175,80 0.201,81 0.84,82 13.39,83 4.985,84 30.656,85 6.106,86 0.087,87 0.813,88 13.356,89 5.588,90 19.413,91 7.424,92 0.199,93 0.746,94 15.909,95 5.896,96 35.803,97 8.26,98 0.135,99 0.467,100 12.397,101 4.24,102 24.056,103 6.27,104 6,105 29,106 0.281,107 0.592,108 0.747,109 0.837,110 0.877,111 0.888,112 3.013,113 0.887,114 -3.56,115 -3.53,116 -3.37,118 46.9,119 1,124 1,140 6,141 3,143 2,153 1,154 1,162 1,168 8,171 1,172 7,180 8,185 1,186 10,194 6,197 1,198 10,206 6,209 1,210 7,218 8,222 3,229 6,233 1,234 3,242 3,270 391,271 13.198,272 13.198,273 13.198,274 13.198,275 13.198,276 11.522,277 8.814,278 7.868,279 13.377,280 10.304,281 10.304,282 10.304,283 10.304,284 10.304,285 7.762,286 8.474,287 3.631,288 10.52,289 3.483,290 1.809,291 0.969,292 0.485,293 0.274,294 0.211,295 3.693,298 1,299 1,300 1,301 263,302 2,306 129.759,310 70.2,313 0.975,314 15.599,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 40.5,326 123,327 4.579,328 3.737,329 6.867,330 4.239,331 3.25,332 4.185,333 1.058,334 11.434,335 3.212,336 4.017,337 3.084,338 6.159,339 3.656,340 2.666,341 3.545,343 8.871,344 2.636,345 3.617,346 2.444,347 5.627,348 3.301,349 2.327,350 2.863,352 7.283,353 2.263,354 3.358,355 2.193,356 4.86,357 2.854,358 1.879,359 2.665,361 5.177,362 1.828,363 2.874,364 1.751,365 3.906,366 2.47,367 1.475,368 2,370 3.243,371 1.465,372 2.771,373 1.342,374 3.68,375 2.293,376 1.312,377 1.886,379 2.939,380 1.285,381 2.5,382 1.28,383 3.506,384 1.957,385 1,386 1.5,388 2.239,389 0.954,390 2.478,391 1.059,392 3.331,393 1.906,394 0.898,395 1.373,397 2.136,398 0.899,399 2.144,400 1,401 3.247,402 1.71,403 0.723,404 0.918,406 1.46,407 0.71,408 1.23,409 0.345,410 2.705,411 1.045,412 0.02,413 0.024,415 0.036,416 0.021,417 0.874,418 -0.362,419 2.41,420 0.473,421 -0.519,422 -0.671,424 -1.277,425 -0.511,426 0.737,427 -0.44,428 2.143,429 0.247,430 -0.718,431 -0.968,433 -1.579,434 -0.689,435 0.612,436 -0.782,437 2,438 0.133,439 -0.88,440 -1.281,442 -2.104,443 -0.89,444 0.5,445 -1,446 1.555,447 -0.026,448 -1,449 -1.5,451 -2.347,452 -0.974,453 0.084,454 -1.045,455 1.47,456 -0.246,457 -1.238,458 -1.609,460 -3.313,461 -1.223,462 9.033,463 0.475,464 0.363,465 0.019,466 27,467 1.421,468 15,469 0.789,470 12,471 0.632,472 11.759,473 0.619,474 19.167,475 0.599,476 17.868,477 0.94,478 5.474,479 0.288,480 3.835,481 0.202,482 0.092,484 0.321,487 0.558,488 1.139,489 0.7,490 0.992,491 0.539,492 0.889,493 0.753,494 1.116,495 0.8,496 0.917,497 0.64,498 0.865,499 0.935,500 1.04,501 0.77,502 0.864,503 0.799,504 0.796,505 1.558,506 1.044,507 1.056,508 0.945,509 1.545,510 0.929,511 1.6,512 0.998,513 1.226,514 0.994,515 1.67,516 1.053,517 0.867,518 1.204,519 1.236,520 1.328,521 0.804,522 1.334,523 0.837,524 0.953,525 1.182,526 1.156,527 0.964,528 1.214,529 0.734,530 0.68,531 0.974,532 0.892,533 0.798,534 0.955,535 2.5,537 2.222,538 1.5,539 1.249,540 0.604,541 0.282,542 0.167,543 0.041,545 2873,546 7763,547 2.113,548 40.6,550 8,552 2,555 3,558 1.612,559 2,560 2.745,561 -0.776,563 1,565 1,567 48.536,568 1.517,569 3.191,570 4.031,571 4.515,572 4.726,573 4.789,574 2.149,575 3.932,576 4.221,577 2.825,578 482.993,579 7.236,580 4645.2,581 1,582 1,584 1,585 160,586 1.324,587 4.189,588 0.119,590 0.077,591 0.047,592 0.043,593 0.023,594 0.014,595 0.015,596 0.014,598 0.352,599 0.83,600 1,601 0.789,602 79.696,603 0.102,604 -0.057,605 0.064,606 -0.045,607 -0.028,608 -0.011,609 0.068,610 -0.048,611 0.057,612 0.016,613 -0.011,614 0.033,615 0.064,616 -0.012,617 0.167,618 0.076,619 0.107,620 0.131,621 -0.195,622 0.003,623 -0.11,624 -0.033,625 -0.113,626 -0.053,627 -0.284,628 0.029,629 -0.3,630 -0.065,631 -0.25,632 -0.168,633 -0.107,634 -0.251,635 -0.324,636 -0.35,637 -0.053,638 -0.365,639 0.051,640 -0.087,641 -0.127,642 -0.146,643 0.009,644 -0.161,645 0.056,646 0.107,647 0.205,648 0.159,649 0.047,650 0.199,651 1.717,652 5.228,653 0.842,654 11.091,655 1.002,656 1.118,657 2.331,658 5.432,659 0.696,660 3.091,661 3.401,662 3.738,663 4.025,664 4.304,665 4.344,666 4.419,667 4.407,668 4.369,669 4.143,670 4.182,671 0.669,672 251.31,673 3.091,674 4.615,675 5.485,676 6.372,677 7.265,678 8.163,679 9.064,680 9.966,681 10.869,682 11.774,683 9.4,690 1,692 1,693 1,699 8,700 1,704 3,706 12,724 32,726 14,727 1,728 21,730 34,731 15,733 11,734 2,735 4,736 2,739 3,740 4,742 1,745 1,753 13,754 2,756 2,761 1,764 1,765 2,769 1,772 13,773 4,775 4,779 3,784 0.667,785 1,795 1,802 3,806 1,832 2,836 1,840 19,846 1,851 1,862 3.1,865 1,869 9.5,870 6.183,871 4.306,872 2.054,874 2.566,875 1.387,876 0.999,877 2.941,878 9.193,879 3.401,880 3.97,881 4.6,882 5.179,883 5.737,884 5.938,885 6.325,886 6.6,887 6.9,888 6.993,889 1,890 32,891 6.998,893 2.962,894 7.754,895 13.293,897 10.758,899 2.254,900 42.833,901 0.001,904 153.024,905 102.901,906 36.45,908 25.145,911 102.901,912 178.169,913 36.45,914 8.825,915 5.107,916 56.857,917 72.934,918 44.315,920 129.482,922 153.024,923 139.352,924 25.145,927 117.711,928 60.458,931 48.691,932 73.876,933 16.786,935 153.024,936 61.595,937 102.901,940 153.024,941 19.124,942 86.779,944 58.593,945 153.024,946 61.595,947 102.901,949 0.57,950 0.356,951 0.207,952 0.119,953 15,954 6,955 0.059,956 2,957 1,958 1.125,959 3.066,960 146.462,961 0.125,962 16,963 80.711,968 11.76,969 4.752,970 1.964,972 61.595,973 14.855,974 4.118,978 2.476,981 317.521,982 29,987 12.228,990 4.453,991 0.746,994 32.051,995 35.78,996 0.303,997 0.638,998 0.806,999 0.903,1000 0.945,1001 0.958,1002 4.615,1003 0.898,1004 5.46,1005 2.239,1006 4.078,1007 4.654,1008 1.176,1009 6.308,1010 4.043,1011 5.813,1012 0.723,1013 7.038,1014 2.136,1015 3.611,1016 4.27,1018 7.306,1019 3.576,1020 7.114,1021 0.02,1022 8.727,1023 1.46,1024 5.687,1025 6.81,1026 1.255,1027 10.469,1028 5.623,1029 8.456,1030 -0.519,1031 10.483,1032 0.036,1033 6.111,1034 7.299,1036 12.313,1037 6.051,1038 9.835,1039 -0.718,1040 12.281,1041 -1.277,1042 7.623,1043 9.258,1044 1.338,1045 14.993,1046 7.538,1047 11.242,1048 -0.88,1049 14.107,1050 -1.579,1051 8.456,1052 10.182,1054 17.17,1055 8.372,1056 12.67,1057 -1,1058 15.953,1059 -2.104,1060 9.747,1061 11.872,1062 1.422,1063 19.69,1064 9.643,1065 3.25,1066 -1.238,1067 17.812,1068 -2.347,1069 10.767,1070 13.028,1072 22.01,1073 10.66,1074 2.666,1075 11.434,1076 19.681,1077 -3.313,1078 11.975,1079 14.585,1080 1.51,1081 24.473,1082 11.852,1083 2.327,1084 8.871,1085 21.559,1086 4.185,1087 13.079,1088 15.865,1090 26.855,1091 12.949,1092 1.879,1093 7.283,1094 23.443,1095 3.545,1096 14.259,1097 17.355,1098 1.599,1099 29.299,1100 14.116,1101 1.475,1102 5.177,1103 25.333,1104 2.863,1105 15.401,1106 18.702,1108 31.709,1109 15.248,1110 1.312,1111 3.243,1112 27.227,1113 2.665,1114 16.573,1115 20.16,1116 1.69,1117 34.146,1118 16.408,1119 1,1120 2.939,1121 29.125,1122 2,1123 17.732,1124 21.544,1126 36.57,1127 17.556,1128 2843,1129 4767,1130 14.216,1131 22.279,1132 31.817,1133 32.569,1134 32.654,1135 31.148,1136 31.098,1137 41.919,1138 2.117,1139 89.635,1140 30.545,1141 5.434,1142 5.737,1143 6.669,1144 5.276,1145 5.25,1146 7.185,1147 2.117,1148 19.038,1149 5.212,1150 7.146,1151 1.515,1152 1.551,1153 1.555,1154 1.483,1155 1.481,1156 1.996,1157 0.101,1158 4.268,1159 1.455,1160 4.032,1161 4.061,1162 3.998,1163 3.948,1164 7.428,1165 3.955,1166 3.8,1167 3.839,1168 3.739,1169 3.706,1170 4.948,1171 3.709,1172 3.559,1173 3.633,1174 3.443,1175 3.357,1176 4.735,1177 3.364,1178 3.215,1179 3.281,1180 3.066,1181 3.057,1182 4.427,1183 3.053,1184 3.075,1185 3.098,1186 3.011,1187 2.92,1188 3.983,1189 2.934,1190 2.778,1191 2.857,1192 2.63,1193 2.643,1194 3.801,1195 2.629,1196 2.712,1197 2.786,1198 2.574,1199 2.507,1200 3.633,1201 2.519,1202 2.554,1203 2.656,1204 2.398,1205 2.327,1206 3.5,1207 2.337,1208 0.218,1209 0.178,1210 0.327,1211 0.202,1212 0.155,1213 4.579,1214 0.199,1215 3.737,1216 0.05,1217 6.867,1218 0.544,1219 4.239,1220 0.153,1221 3.25,1222 4.185,1223 1.058,1224 11.434,1225 3.212,1226 1.98,1227 1.958,1228 2.058,1229 2.086,1230 1.176,1231 2.076,1232 1.782,1233 1.747,1234 1.902,1235 1.902,1236 0.981,1237 1.904,1238 1.53,1239 1.453,1240 1.817,1241 1.755,1242 0.931,1243 1.777,1244 1.184,1245 1.13,1246 1.351,1247 1.402,1248 0.396,1249 1.396,1250 1.019,1251 0.99,1252 1.203,1253 1.195,1254 0.264,1255 1.19,1256 0.788,1257 0.724,1258 1.075,1259 0.993,1260 0.15,1261 1.023,1262 0.681,1263 0.601,1264 0.985,1265 0.924,1266 0.097,1267 0.948,1268 0.545,1269 0.445,1270 0.941,1271 0.834,1273 0.877,1274 3.761,1276 5.069,1278 6.613,1280 8.265,1282 9.975,1284 1.913,1290 0.553,1295 1.491,1300 21.413,1301 48.536,1302 102.126,1303 128.98,1304 144.49,1305 151.245,1306 153.245,1307 25.398,1308 6.627,1309 47.78,1310 47.78,1311 18,1312 12.293,1313 3.907,1314 3.17,1315 27.476,1316 47,1317 46,1318 0.3,1319 133.435,1320 229.85,1321 317.342,1322 5481,1324 13.242,1325 0.697,1326 0.557,1327 13.242,1328 10.576,1329 9.309,1330 0.443,1331 0.296,1332 6.143,1333 9.009,1334 5.99,1335 4.996,1336 9.309,1337 6.212,1338 7.937,1339 0.274,1340 0.147,1341 7.937,1342 4.257,1343 7.198,1344 0.176,1345 0.076,1346 7.198,1347 3.102,1348 6.104,1349 0.111,1350 0.039,1351 6.104,1352 2.166,1353 5.138,1354 0.07,1355 0.021,1356 5.138,1357 1.51,1358 0.438,1359 57.914,1360 0.265,1361 18.352,1362 0.927,1363 100,1364 290.671,1365 108.07,1366 285.645,1367 397.5,1368 268,1369 120,1370 300.915,1371 129.319,1372 304.688,1373 448.04,1374 288,1375 5.717} {0 CHEMBL335717,1 1.59,2 10.652,3 2.847,4 8.105,5 87.385,6 7.462,7 0.5,8 3.819,9 3.93,10 3.369,11 3.33,12 5.023,13 3.313,14 4.296,15 4.46,16 3.597,17 3.651,18 5.481,19 3.597,20 4.553,21 4.785,22 3.587,23 3.711,24 5.563,25 3.633,26 4.489,27 4.717,28 3.568,29 3.612,30 5.543,31 3.558,32 4.451,33 4.649,34 3.599,35 3.607,36 5.567,37 3.571,38 4.459,39 4.661,40 3.506,41 3.637,42 5.531,43 3.564,44 4.461,45 4.703,46 3.333,47 3.582,48 5.519,49 3.456,50 4.322,51 4.597,52 3.102,53 3.446,54 5.243,55 3.287,56 0.116,57 0.589,58 8.451,59 3.915,60 13.342,61 4.94,62 0.226,63 0.881,64 14.972,65 6.04,66 40.993,67 8.109,68 0.336,69 1.028,70 21.857,71 7.238,72 50.219,73 10.209,74 0.349,75 0.956,76 20.602,77 6.457,78 47.586,79 9.035,80 0.43,81 0.914,82 19.605,83 6.187,84 48.676,85 8.199,86 0.373,87 0.938,88 19.415,89 6.511,90 45.296,91 8.818,92 0.49,93 0.932,94 20.164,95 6.513,96 57.895,97 9.509,98 0.3,99 0.812,100 17.686,101 5.989,102 38.512,103 9.055,104 13,105 29,106 0.28,107 0.6,108 0.758,109 0.864,110 0.875,111 0.875,112 3.187,113 0.939,114 -3.71,115 -3.68,116 -3.5,118 40.5,120 4,124 1,140 6,141 2,143 2,153 1,154 1,162 2,163 1,167 1,168 10,169 1,172 6,175 1,177 1,180 9,181 1,186 10,191 1,194 7,195 1,197 1,198 9,203 1,206 4,207 1,209 2,210 9,215 1,218 5,221 1,222 6,223 1,229 6,233 1,234 4,235 1,237 1,242 7,246 1,247 3,250 1,255 8,259 2,267 6,268 2,270 916,271 15.778,272 15.778,273 15.778,274 15.778,275 15.778,276 13.91,277 8.2,278 10.19,279 15.96,280 11.915,281 11.915,282 11.915,283 11.915,284 11.915,285 9.255,286 5.628,287 4.921,288 12.175,289 3.803,290 1.988,291 1.09,292 0.494,293 0.429,294 0.429,295 3.857,298 1,299 1,300 1,301 505,302 3.742,306 175.781,313 1.554,314 21.568,315 1,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 50.5,326 245,327 4.369,328 3.999,329 6.498,330 3.992,331 3.006,332 3.943,333 2.373,334 10.173,335 2.961,336 3.736,337 3.596,338 5.247,339 3.27,340 2.278,341 3.298,342 2.341,343 6.4,344 2.258,345 3.55,346 2.937,347 4.659,348 3.241,349 2.236,350 2.71,352 5.184,353 2.222,354 3.28,355 2.278,356 4.224,357 2.811,358 1.854,359 2.58,361 4.075,362 1.768,363 2.83,364 1.838,365 3.789,366 2.664,367 1.685,368 1.908,370 3.497,371 1.646,372 2.781,373 1.698,374 3.555,375 2.302,376 1.317,377 1.85,379 2.88,380 1.295,381 2.578,382 1.318,383 3.465,384 2.276,385 1.313,386 1.542,388 2.743,389 1.254,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.96,403 1,404 1.5,406 2.136,407 0.957,408 2.138,409 1,410 3.151,411 1.823,412 0.848,413 1.038,415 1.91,416 0.822,417 1.517,418 0.871,419 2.674,420 1.342,421 0.37,422 0.413,424 0.815,425 0.357,426 0.964,427 0.66,428 2.198,429 0.781,430 -0.212,431 -0.227,433 -0.459,434 -0.208,435 0.719,436 0.28,437 2.158,438 0.278,439 -0.705,440 -0.864,442 -1.547,443 -0.687,444 0.621,445 -0.348,446 1.62,447 0.201,448 -0.76,449 -0.952,451 -1.67,452 -0.717,453 0.5,454 -0.627,455 1.555,457 -1,458 -1.295,460 -2,461 -0.963,462 10.7,463 0.465,464 0.315,465 0.014,466 28.75,467 1.25,468 15,469 0.652,470 13.75,471 0.598,472 16.395,473 0.713,474 25.3,475 0.602,476 19.845,477 0.863,478 5.913,479 0.257,480 5.358,481 0.233,482 0.062,484 0.187,487 0.66,488 1.117,489 0.789,490 1.1,491 0.67,492 1.001,493 0.699,494 1.277,495 0.944,496 1.208,497 0.48,498 1.139,499 1.02,500 1.022,501 0.947,502 0.938,503 0.954,504 0.93,505 1.152,506 0.97,507 0.949,508 0.915,509 0.915,510 0.891,511 1.436,512 0.917,513 1.059,514 0.882,515 1.029,516 0.9,517 1.237,518 1.085,519 1.173,520 1.067,521 1.01,522 1.107,523 0.735,524 1.024,525 1.11,526 1.022,527 0.806,528 1.113,529 0.424,530 0.917,531 0.959,532 0.994,533 0.372,534 1.06,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.066,544 0.051,545 5804,546 18548,547 2.021,548 45.2,549 4,550 8,552 2,553 1,554 2,555 2,558 1.656,559 1.944,560 3.345,561 -0.284,562 1,563 1,565 1,567 66.77,568 1.59,569 3.405,570 4.302,571 4.898,572 4.964,573 4.964,574 2.699,575 3.567,576 4.488,577 3.571,578 903.52,579 7.725,580 11000.6,581 1,582 1,584 1,585 226.477,586 1.068,587 4.48,588 0.104,589 0.008,590 0.054,591 0.036,592 0.017,593 0.009,594 0.01,595 0.008,596 0.004,597 0.004,598 0.253,599 0.33,600 1,601 2.076,602 110.277,603 0.105,604 0.075,605 0.034,606 0.01,607 0.007,608 -0.001,609 0.079,610 -0.191,611 -0.066,612 -0.148,613 0.182,614 -0.138,615 -0.109,616 -0.051,617 0.025,618 0.042,619 -0.099,620 0.056,621 -0.108,622 0.014,623 0.044,624 0.036,625 -0.076,626 0.067,627 -0.16,628 0.079,629 -0.057,630 0.077,631 -0.134,632 0.033,633 -0.162,634 -0.084,635 -0.207,636 -0.084,637 -0.17,638 -0.147,639 0.108,640 -0.046,641 -0.143,642 -0.058,643 0.003,644 -0.132,645 0.131,646 0.045,647 -0.011,648 -0.019,649 0.119,650 -0.039,651 2.43,652 3.427,653 0.522,654 22.514,655 1.008,656 1.13,657 2.482,658 6.159,659 0.654,660 3.219,661 3.401,662 3.555,663 3.738,664 3.892,665 3.784,666 3.85,667 3.829,668 3.714,669 3.611,670 6.525,671 0.629,672 313.39,673 3.219,674 4.673,675 5.451,676 6.26,677 7.064,678 7.886,679 8.705,680 9.536,681 10.363,682 11.199,683 7.1,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 42,726 14,727 1,728 24,730 43,731 17,733 10,734 1,735 5,736 1,739 2,740 2,751 4,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,772 19,773 6,774 1,775 6,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,840 23,845 1,846 5,848 1,862 7.1,864 1,865 1,867 1,869 11.833,870 7.3,871 5.389,872 2.571,874 2.037,875 1.328,876 0.906,877 7.052,878 8.255,879 3.497,880 3.951,881 4.413,882 4.914,883 5.402,884 5.398,885 5.772,886 5.982,887 6.093,888 6.171,889 0.857,890 28,891 8.429,893 3.363,894 7.92,895 15.891,897 12.141,899 2.42,900 55.667,903 1,904 211.88,905 99.721,906 52.726,908 79.047,911 99.721,912 290.927,913 52.726,915 14.731,916 56.857,917 128.363,918 55.085,920 188.338,922 211.88,923 152.446,924 79.047,927 188.338,928 102.589,931 52.225,932 66.895,933 33.326,935 211.88,936 131.773,937 99.721,940 211.88,941 24.768,942 74.952,944 131.773,945 211.88,946 131.773,947 99.721,949 0.541,950 0.289,951 0.158,952 0.087,953 10,954 4,955 0.209,956 9,958 1,959 3.671,960 159.992,962 12,963 100.042,968 16.946,969 9.571,970 6.07,972 131.773,973 14.799,974 7.646,978 1.767,980 42.683,981 443.373,982 32,987 10.427,990 4.23,991 -0.063,994 42.356,995 47.445,996 0.295,997 0.631,998 0.798,999 0.908,1000 0.921,1001 0.921,1002 4.644,1003 1,1004 5.342,1005 2.743,1006 4.078,1007 4.635,1008 3.036,1009 6.004,1010 4.038,1011 5.776,1012 1,1013 6.795,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 7.012,1021 0.848,1022 8.362,1023 2.136,1024 5.493,1025 6.651,1026 4.616,1027 9.809,1028 5.425,1029 8.287,1030 0.37,1031 10.01,1032 1.91,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.503,1038 9.602,1039 -0.212,1040 11.717,1041 0.815,1042 7.216,1043 8.968,1044 6.289,1045 14.117,1046 7.123,1047 10.945,1048 -0.705,1049 13.468,1050 -0.459,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.694,1056 12.313,1057 -0.76,1058 15.251,1059 -1.547,1060 9.136,1061 11.447,1062 7.991,1063 18.634,1064 9.017,1065 3.006,1066 -1,1067 17.057,1068 -1.67,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.85,1074 2.278,1075 10.173,1076 18.879,1077 -2,1078 11.181,1079 14.023,1080 9.704,1081 23.227,1082 11.035,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.999,1092 1.854,1093 5.184,1094 22.557,1095 3.298,1096 13.3,1097 16.66,1098 11.42,1099 27.849,1100 13.123,1101 1.685,1102 4.075,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.151,1110 1.317,1111 3.497,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 13.139,1117 32.481,1118 15.251,1119 1.313,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.309,1128 5880,1129 10612,1130 16.178,1131 27.472,1132 34.221,1133 36.124,1134 34.342,1135 33.818,1136 33.815,1137 44.566,1138 9.428,1139 83.899,1140 33.08,1141 5.277,1142 5.999,1143 6.36,1144 5.026,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.961,1150 9.248,1151 1.426,1152 1.505,1153 1.431,1154 1.409,1155 1.409,1156 1.857,1157 0.393,1158 3.496,1159 1.378,1160 3.968,1161 4.001,1162 3.92,1163 3.892,1164 7.474,1165 3.892,1166 3.768,1167 3.814,1168 3.702,1169 3.648,1170 6.351,1171 3.655,1172 3.75,1173 3.802,1174 3.617,1175 3.605,1176 5.089,1177 3.596,1178 3.492,1179 3.526,1180 3.383,1181 3.257,1182 4.886,1183 3.274,1184 3.216,1185 3.26,1186 3.146,1187 2.992,1188 4.676,1189 3.018,1190 3.012,1191 3.063,1192 2.857,1193 2.75,1194 4.09,1195 2.772,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.892,1201 2.715,1202 2.771,1203 2.854,1204 2.627,1205 2.603,1206 3.789,1207 2.597,1208 0.182,1209 0.167,1210 0.271,1211 0.166,1212 0.125,1213 4.369,1214 0.164,1215 3.999,1216 0.099,1217 6.498,1218 0.424,1219 3.992,1220 0.123,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.961,1226 1.933,1227 1.907,1228 2.036,1229 2.03,1230 1.329,1231 2.03,1232 1.744,1233 1.695,1234 1.986,1235 1.919,1236 1.113,1237 1.942,1238 1.727,1239 1.68,1240 1.842,1241 1.879,1242 0.94,1243 1.873,1244 1.416,1245 1.371,1246 1.676,1247 1.68,1248 0.858,1249 1.669,1250 1.107,1251 1.061,1252 1.296,1253 1.393,1254 0.453,1255 1.351,1256 0.94,1257 0.891,1258 1.208,1259 1.217,1260 0.279,1261 1.212,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.762,1269 0.689,1270 1.047,1271 0.99,1272 0.072,1273 1.013,1274 3.892,1276 5.106,1278 6.512,1280 8.011,1282 9.564,1289 8.577,1290 2.88,1292 5.404,1300 26.423,1301 66.77,1302 142.993,1303 180.703,1304 205.722,1305 208.477,1306 208.477,1307 44.491,1308 6.219,1309 84.67,1310 84.67,1311 12,1312 11.77,1313 3.907,1314 3.17,1315 45.392,1316 84,1317 101,1318 0.246,1319 168.006,1320 294.39,1321 401.694,1322 3384,1324 16.33,1325 0.71,1326 0.555,1327 16.33,1328 12.76,1329 11.271,1330 0.47,1331 0.313,1332 7.409,1333 10.766,1334 7.287,1335 6.092,1336 11.271,1337 7.514,1338 9.199,1339 0.317,1340 0.172,1341 9.199,1342 4.975,1343 6.83,1344 0.201,1345 0.094,1346 6.83,1347 3.187,1348 5.444,1349 0.133,1350 0.049,1351 5.444,1352 2.029,1353 4.284,1354 0.089,1355 0.026,1356 4.284,1357 1.255,1358 0.394,1359 71.234,1360 0.249,1361 23.183,1362 0.652,1363 106,1364 370.556,1365 117.803,1366 352.857,1367 465.95,1368 328,1369 116,1370 332.629,1371 126.726,1372 330.576,1373 464.48,1374 310,1375 5} {0 CHEMBL335841,1 1.619,2 9.818,3 2.659,4 7.068,5 81.401,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.978,13 3.253,14 4.221,15 4.381,16 3.566,17 3.569,18 5.46,19 3.53,20 4.451,21 4.671,22 3.551,23 3.62,24 5.515,25 3.559,26 4.38,27 4.594,28 3.532,29 3.509,30 5.493,31 3.476,32 4.338,33 4.526,34 3.557,35 3.495,36 5.509,37 3.49,38 4.34,39 4.517,40 3.476,41 3.554,42 5.556,43 3.493,44 4.343,45 4.586,46 3.246,47 3.547,48 5.324,49 3.408,50 4.273,51 4.549,52 3.029,53 3.414,54 5.111,55 3.252,56 0.105,57 0.55,58 7.48,59 3.476,60 12.378,61 4.338,62 0.269,63 0.825,64 13.472,65 5.361,66 42.655,67 7.034,68 0.36,69 0.941,70 19.393,71 6.471,72 50.518,73 8.853,74 0.375,75 0.865,76 18.113,77 5.542,78 46.617,79 7.629,80 0.404,81 0.837,82 17.045,83 5.065,84 46.711,85 6.491,86 0.555,87 0.849,88 16.649,89 5.547,90 54.86,91 7.265,92 0.299,93 0.864,94 17.142,95 6.33,96 36.068,97 9.159,98 0.208,99 0.781,100 16.685,101 5.914,102 28.218,103 8.817,104 12,105 28,106 0.29,107 0.636,108 0.789,109 0.86,110 0.873,111 0.873,112 3.145,113 0.914,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 6,141 1,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 1,186 8,191 1,194 4,195 1,197 1,198 10,203 1,206 2,209 1,210 7,211 1,218 3,221 2,222 5,223 1,225 1,229 5,233 1,234 3,237 1,242 6,247 3,255 6,256 1,259 2,260 1,264 1,267 3,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.326,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.786,289 3.667,290 1.731,291 0.879,292 0.481,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 22.144,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.983,331 3.006,332 3.943,333 2.373,334 10.173,335 2.936,336 3.736,337 3.596,338 5.247,339 3.254,340 2.278,341 3.298,342 2.341,343 6.4,344 2.222,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.776,358 1.828,359 2.58,361 4.066,362 1.727,363 2.792,364 1.806,365 3.73,366 2.597,367 1.634,368 1.908,370 3.366,371 1.567,372 2.781,373 1.66,374 3.555,375 2.28,376 1.317,377 1.814,379 2.88,380 1.265,381 2.503,382 1.317,383 3.4,384 2.14,385 1.172,386 1.5,388 2.524,389 1.126,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.942,403 1,404 1.439,406 2.136,407 0.939,408 1.932,409 1,410 3,411 1.618,412 0.671,413 0.815,415 1.531,416 0.629,417 1.234,418 0.809,419 2.459,420 1.091,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.405,430 -0.555,431 -0.615,433 -1.223,434 -0.519,435 0.719,436 0.008,437 1.879,438 0.27,439 -0.705,440 -0.952,442 -1.547,443 -0.685,444 0.5,445 -0.614,446 1.555,447 0.021,448 -1,449 -1.213,451 -2,452 -0.921,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.933,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.62,473 0.665,474 24,475 0.615,476 19.694,477 0.895,478 5.958,479 0.271,480 4.813,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.699,492 0.985,493 0.726,494 1.19,495 0.936,496 1.146,497 0.504,498 1.094,499 1.038,500 0.998,501 0.95,502 0.934,503 0.99,504 0.928,505 1.184,506 1.054,507 0.953,508 0.919,509 0.958,510 0.888,511 1.595,512 0.938,513 1.1,514 0.838,515 1.131,516 0.853,517 1.104,518 0.996,519 1.245,520 1.007,521 0.943,522 1.13,523 0.449,524 1.042,525 1.033,526 1.129,527 0.367,528 1.192,529 0.424,530 0.981,531 0.959,532 1.079,533 0.437,534 1.112,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16393,547 2.022,548 43.6,549 2,550 8,552 2,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.554,570 4.407,571 4.805,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,583 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.027,608 -0.013,609 0.088,610 -0.098,611 -0.065,612 -0.118,613 0.174,614 -0.125,615 -0.101,616 -0.023,617 0.022,618 0.042,619 -0.113,620 0.052,621 -0.103,622 -0.065,623 0.041,624 0.024,625 -0.095,626 0.057,627 -0.289,628 0.089,629 -0.101,630 0.088,631 -0.203,632 0.045,633 0.035,634 0.036,635 -0.295,636 -0.035,637 -0.066,638 -0.201,639 0.104,640 -0.058,641 -0.113,642 -0.121,643 0.092,644 -0.16,645 0.044,646 -0.04,647 -0.013,648 -0.082,649 0.029,650 -0.058,651 2.463,652 3.428,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.314,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.056,893 3.224,894 7.962,895 15.074,897 11.449,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 56.857,917 128.608,918 54.227,920 164.795,922 188.338,923 149.299,924 79.047,927 164.795,928 102.589,931 52.019,932 63.71,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 21.805,942 74.523,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.475,974 8.09,978 1.568,980 42.683,981 416.684,982 31,987 10.428,990 4.16,991 -0.171,994 39.473,995 44.03,996 0.306,997 0.672,998 0.834,999 0.909,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.985,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.364,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.46,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.056,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.634,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.941,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.772,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.946,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.904,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.019,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.04,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.13,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.18,1128 5050,1129 9266,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.51,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.453,1141 5.256,1142 5.999,1143 6.322,1144 5.054,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.936,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.368,1160 3.964,1161 3.998,1162 3.917,1163 3.883,1164 7.474,1165 3.884,1166 3.765,1167 3.814,1168 3.702,1169 3.629,1170 6.351,1171 3.643,1172 3.726,1173 3.774,1174 3.6,1175 3.567,1176 5.07,1177 3.563,1178 3.417,1179 3.444,1180 3.327,1181 3.143,1182 4.852,1183 3.176,1184 3.177,1185 3.223,1186 3.099,1187 2.991,1188 4.676,1189 3.009,1190 2.866,1191 2.925,1192 2.697,1193 2.735,1194 4.057,1195 2.715,1196 2.854,1197 2.914,1198 2.687,1199 2.592,1200 3.89,1201 2.592,1202 2.776,1203 2.859,1204 2.63,1205 2.543,1206 3.768,1207 2.576,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.983,1220 0.128,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.936,1226 1.927,1227 1.899,1228 2.031,1229 2.029,1230 1.276,1231 2.027,1232 1.722,1233 1.675,1234 1.949,1235 1.896,1236 1.102,1237 1.912,1238 1.701,1239 1.649,1240 1.827,1241 1.879,1242 0.803,1243 1.871,1244 1.302,1245 1.264,1246 1.554,1247 1.604,1248 0.768,1249 1.575,1250 1.1,1251 1.054,1252 1.24,1253 1.332,1254 0.292,1255 1.298,1256 0.886,1257 0.821,1258 1.181,1259 1.114,1260 0.218,1261 1.107,1262 0.763,1263 0.707,1264 1.084,1265 1.062,1266 0.208,1267 1.106,1268 0.755,1269 0.683,1270 1.052,1271 0.996,1272 0.02,1273 1.022,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.573,1290 1.722,1292 5.321,1300 24.896,1301 63.134,1302 138.621,1303 171.866,1304 187.376,1305 190.131,1306 190.131,1307 40.235,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.899,1333 10.273,1334 6.789,1335 5.666,1336 10.771,1337 7.007,1338 8.845,1339 0.316,1340 0.164,1341 8.845,1342 4.585,1343 6.58,1344 0.199,1345 0.088,1346 6.58,1347 2.904,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.827,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.135,1358 0.411,1359 68.188,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.191,1366 348.289,1367 459.59,1368 324,1369 112,1370 325.449,1371 123.004,1372 324.45,1373 458.84,1374 304,1375 4} {0 CHEMBL33632,1 1.678,2 9.526,3 1.025,4 1.05,5 70.215,6 8.268,7 0.762,8 3.591,9 3.721,10 3.256,11 3.039,12 4.804,13 3.071,14 4.055,15 4.227,16 3.521,17 3.373,18 5.204,19 3.386,20 4.138,21 4.339,22 3.307,23 3.375,24 5.134,25 3.317,26 4.116,27 4.337,28 3.241,29 3.284,30 5.132,31 3.226,32 4.087,33 4.342,34 3.103,35 3.141,36 5.069,37 3.078,38 3.842,39 4.101,40 2.93,41 2.976,42 4.793,43 2.904,44 3.626,45 3.836,46 2.91,47 2.911,48 4.674,49 2.855,50 3.629,51 3.863,52 2.713,53 2.826,54 4.616,55 2.751,56 0.12,57 0.528,58 5.364,59 2.295,60 8.044,61 2.875,62 0.288,63 0.752,64 10.277,65 3.474,66 17.396,67 4.406,68 0.303,69 0.708,70 12.708,71 4.55,72 18.295,73 6.043,74 0.242,75 0.682,76 12.626,77 4.18,78 20.491,79 5.862,80 0.331,81 0.61,82 13.637,83 3.698,84 25.344,85 5.503,86 0.281,87 0.49,88 10.804,89 3.147,90 18.141,91 4.748,92 0.181,93 0.442,94 7.445,95 2.721,96 10.792,97 3.9,98 0.154,99 0.437,100 7.651,101 2.352,102 13.453,103 3.474,105 27,106 0.313,107 0.71,108 0.828,109 0.852,110 0.852,111 0.852,112 3.008,113 0.834,114 -3.37,115 -3.35,116 -3.21,118 38.7,124 2,140 4,141 1,142 1,143 1,147 1,149 1,156 1,162 1,165 2,168 4,171 3,172 4,175 1,180 4,185 1,186 7,191 1,194 2,198 7,203 2,209 1,210 4,215 2,221 2,222 2,233 1,234 3,237 1,247 2,258 2,259 1,270 431,271 13.345,272 13.345,273 13.345,274 13.345,275 13.345,276 11.441,277 8.366,278 8.243,279 13.74,280 10.404,281 10.404,282 10.404,283 10.404,284 10.404,285 7.666,286 8.112,287 3.943,288 11.025,289 3.276,290 1.15,291 0.516,292 0.387,293 0.387,294 0.387,295 3.693,299 1,300 1,301 397,302 2.236,305 117.06,306 63.524,313 1.762,314 10.885,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 42,326 181,327 4.253,328 2.96,329 6.146,330 3.849,331 2.878,332 3.903,333 0.86,334 9.062,335 2.795,336 3.923,337 2.76,338 5.37,339 3.468,340 2.554,341 3.479,343 7.041,344 2.333,345 3.802,346 2.609,347 5.309,348 3.357,349 2.422,350 3.313,352 6.873,353 2.26,354 3.233,355 1.893,356 4.462,357 2.77,358 1.8,359 2.53,361 4.555,362 1.741,363 2.715,364 1.578,365 3.609,366 2.349,367 1.414,368 1.778,370 3.008,371 1.315,372 2.5,373 1.193,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.389,382 1,383 3.314,384 1.932,385 1,386 1.345,388 2.22,389 0.926,390 2.126,391 0.878,392 3.141,393 1.752,394 0.812,395 1.049,397 1.872,398 0.759,399 2.118,400 0.618,401 3,402 1.591,403 0.618,404 0.927,406 1.372,407 0.6,408 2.118,409 0.618,410 3,411 1.553,412 0.618,413 0.927,415 1.372,416 0.577,417 1.208,418 0.169,419 2.54,420 0.892,421 -0.032,422 -0.038,424 -0.078,425 -0.03,426 0.687,427 -0.35,428 2.158,429 0.335,430 -0.601,431 -0.746,433 -1.396,434 -0.557,435 0.5,436 -1,437 2,439 -1,440 -1.412,442 -2.799,443 -1,444 0.088,445 -1.003,446 1.633,447 -0.262,448 -1.199,449 -1.5,451 -3,452 -1.114,453 -0.008,454 -1.324,455 1.048,456 -0.436,457 -1.414,458 -1.769,460 -3.064,461 -1.371,462 8.733,463 0.46,464 0.256,465 0.013,466 27.25,467 1.434,468 14.5,469 0.763,470 12.75,471 0.671,472 10.294,473 0.542,474 20.067,475 0.647,476 16.141,477 0.85,478 5.7,479 0.3,480 3.716,481 0.196,484 0.218,487 0.749,488 1.224,489 0.67,490 1.124,491 0.641,492 0.925,493 1.196,494 0.908,495 0.955,496 0.924,497 0.975,498 0.901,499 1.147,500 0.993,501 1.085,502 1.134,503 1.006,504 1.131,505 1.088,506 1.211,507 1.071,508 1.274,509 1.059,510 1.199,511 1.159,512 0.96,513 1.061,514 0.986,515 1.142,516 1.003,517 0.757,518 0.769,519 0.857,520 0.806,521 0.655,522 0.847,523 0.469,524 1.018,525 0.811,526 1.099,527 0.496,528 1.047,529 0.949,530 1.196,531 1.166,532 1.181,533 1.284,534 1.209,535 2.5,536 0.026,537 1.556,538 0.375,539 0.317,540 0.4,541 0.193,542 0.056,543 0.06,544 0.071,545 4073,546 12510,547 2.178,548 38.7,550 8,551 1,552 2,553 1,558 1.592,559 2.151,560 3.251,561 -0.146,563 1,565 1,567 52.031,568 1.678,569 3.804,570 4.438,571 4.567,572 4.567,573 4.567,574 2.695,575 3.471,576 4.219,577 3.428,578 586.223,579 7.131,580 6075.61,581 1,582 1,585 153.58,586 0.742,587 4.225,588 0.119,589 0.003,590 0.058,591 0.018,592 0.017,593 0.025,594 0.014,595 0.004,596 0.005,597 0.009,598 0.272,599 0.5,600 1,602 85.051,603 0.122,604 -0.019,605 0.082,606 -0.118,607 0.134,608 -0.048,609 -0.11,610 0.192,611 -0.094,612 0.041,613 -0.043,614 -0.015,615 -0.102,616 -0.059,617 -0.138,618 -0.073,619 -0.097,620 -0.113,621 -0.131,622 -0.292,623 -0.103,624 -0.25,625 -0.086,626 -0.185,627 -0.09,628 -0.1,629 -0.007,630 -0.016,631 -0.083,632 0.007,633 0.181,634 0.092,635 0.192,636 0.206,637 0.238,638 0.206,639 0.328,640 -0.055,641 0.119,642 -0.037,643 0.285,644 -0.009,645 -0.184,646 -0.234,647 -0.219,648 -0.192,649 -0.362,650 -0.211,651 1.093,652 2.139,653 0.842,654 16.404,655 1.019,656 1.143,657 2.14,658 4.58,659 0.67,660 3.091,661 3.332,662 3.555,663 3.738,664 3.714,665 3.761,666 3.807,667 3.807,668 3.85,669 3.807,670 5.878,671 0.659,672 256.3,673 3.091,674 4.575,675 5.389,676 6.217,677 7.041,678 7.873,679 8.701,680 9.535,681 10.365,682 11.199,683 19.4,691 2,693 4,699 7,700 4,701 1,704 3,705 1,706 16,722 1,724 31,726 16,727 1,728 21,730 33,731 12,733 10,734 2,735 4,739 3,740 3,753 10,754 2,769 1,772 12,773 5,774 1,775 7,778 1,779 6,784 1,785 1,801 2,802 1,832 3,840 19,846 2,848 1,862 3.2,867 1,869 8.833,870 5.5,871 4.278,872 1.711,874 2.566,875 1.405,876 0.988,877 3.518,878 8.907,879 3.401,880 3.951,881 4.5,882 5.024,883 5.21,884 5.445,885 5.758,886 6.004,887 6.268,888 6.35,889 1,890 21,891 6.915,893 2.818,894 7.711,895 13.09,897 10.16,899 2.211,900 42,901 0.001,904 129.482,905 82.073,906 85.092,908 11,911 82.073,912 140.482,913 85.092,915 6.698,916 46.952,917 98.813,918 49.244,919 11.771,920 94.169,922 129.482,923 167.165,924 11,927 131.81,928 11,931 42.804,932 55.381,933 66.652,935 129.482,936 96.091,937 82.073,940 129.482,941 17.455,942 66.518,943 16.54,944 77.652,945 129.482,946 96.091,947 82.073,949 0.56,950 0.321,951 0.17,952 0.07,953 13,954 4,955 0.152,956 5,958 1,959 3.44,960 129.569,962 16,963 76.711,968 11.871,969 5.63,970 2.978,972 77.652,973 12.999,974 15.304,975 2.442,978 2.285,979 1.966,980 16.54,981 307.647,982 29,994 31.589,995 35.445,996 0.339,997 0.768,998 0.896,999 0.922,1000 0.922,1001 0.922,1002 4.564,1003 0.812,1004 5.303,1005 2.22,1006 4.007,1007 4.635,1008 0.908,1009 5.994,1010 3.9,1011 5.724,1012 0.618,1013 6.777,1014 1.872,1015 3.219,1016 4.007,1018 6.629,1019 3.046,1020 6.978,1021 0.618,1022 8.349,1023 1.372,1024 5.476,1025 6.744,1026 0.739,1027 9.684,1028 5.267,1029 8.274,1030 -0.032,1031 9.984,1032 1.372,1033 5.638,1034 7.099,1036 11.231,1037 5.367,1038 9.604,1039 -0.601,1040 11.662,1041 -0.078,1042 7.204,1043 9.093,1044 0.593,1045 13.71,1046 6.907,1047 10.957,1048 -1,1049 13.369,1050 -1.396,1051 7.799,1052 9.897,1054 15.617,1055 7.45,1056 12.326,1057 -1.199,1058 15.097,1059 -2.799,1060 9.073,1061 11.569,1062 0.469,1063 17.909,1064 8.703,1065 2.878,1066 -1.414,1067 16.839,1068 -3,1069 9.881,1070 12.607,1072 19.972,1073 9.47,1074 2.554,1075 9.062,1076 18.592,1077 -3.064,1078 11.024,1079 14.121,1080 0.366,1081 22.2,1082 10.594,1083 2.422,1084 7.041,1085 20.354,1086 3.903,1087 11.941,1088 15.288,1090 24.334,1091 11.478,1092 1.8,1093 6.873,1094 22.122,1095 3.479,1096 13.025,1097 16.722,1098 0.283,1099 26.541,1100 12.543,1101 1.414,1102 4.555,1103 23.897,1104 3.313,1105 13.999,1106 17.962,1108 28.71,1109 13.49,1110 1,1111 3.008,1112 25.677,1113 2.53,1114 15.057,1115 19.355,1116 0.217,1117 30.911,1118 14.529,1119 1,1120 2.275,1121 27.461,1122 1.778,1123 16.063,1124 20.639,1126 33.097,1127 15.511,1128 3836,1129 6854,1130 14.792,1131 20.773,1132 30.733,1133 30.331,1134 30.101,1135 30.292,1136 30.233,1137 41.502,1138 1.72,1139 79.301,1140 28.614,1141 5.125,1142 4.96,1143 5.803,1144 4.937,1145 4.878,1146 6.903,1147 1.72,1148 15.16,1149 4.795,1151 1.463,1152 1.444,1153 1.433,1154 1.442,1155 1.44,1156 1.976,1157 0.082,1158 3.776,1159 1.363,1160 3.982,1161 4.032,1162 3.937,1163 3.865,1164 5.27,1165 3.873,1166 3.905,1167 3.972,1168 3.849,1169 3.698,1170 4.96,1171 3.727,1172 3.666,1173 3.746,1174 3.626,1175 3.324,1176 4.807,1177 3.395,1178 3.333,1179 3.398,1180 3.186,1181 3.117,1182 4.289,1183 3.123,1184 2.854,1185 2.925,1186 2.731,1187 2.735,1188 3.747,1189 2.715,1190 2.823,1191 2.874,1192 2.687,1193 2.627,1194 3.693,1195 2.65,1196 2.516,1197 2.615,1198 2.313,1199 2.316,1200 3.674,1201 2.3,1202 2.414,1203 2.526,1204 2.228,1205 2.093,1206 3.444,1207 2.107,1208 0.203,1209 0.141,1210 0.293,1211 0.183,1212 0.137,1213 4.253,1214 0.186,1215 2.96,1216 0.041,1217 6.146,1218 0.432,1219 3.849,1220 0.133,1221 2.878,1222 3.903,1223 0.86,1224 9.062,1225 2.795,1226 1.895,1227 1.873,1228 1.995,1229 1.998,1230 1.116,1231 1.996,1232 1.629,1233 1.562,1234 1.825,1235 1.861,1236 1.049,1237 1.853,1238 1.31,1239 1.248,1240 1.5,1241 1.622,1242 0.529,1243 1.531,1244 1.196,1245 1.142,1246 1.34,1247 1.528,1248 0.323,1249 1.519,1250 1.077,1251 0.97,1252 1.267,1253 1.437,1254 0.24,1255 1.399,1256 1.014,1257 0.905,1258 1.181,1259 1.289,1260 0.218,1261 1.265,1262 0.886,1263 0.821,1264 1.138,1265 1.062,1267 1.107,1268 0.513,1269 0.447,1270 0.845,1271 0.799,1273 0.808,1274 3.761,1276 5.017,1277 3.045,1278 6.447,1279 5.13,1280 7.957,1281 6.969,1282 9.511,1290 1.366,1292 5.639,1300 20.424,1301 52.031,1302 117.929,1303 137.58,1304 141.58,1305 141.58,1306 141.58,1307 17.8,1308 6.34,1309 81.51,1310 81.51,1311 16,1312 11.77,1313 4.087,1314 3.17,1315 28.173,1316 67,1317 52,1318 0.203,1319 127.969,1320 202.69,1321 304.003,1322 4399,1324 12.916,1325 0.68,1326 0.532,1327 12.916,1328 10.1,1329 9.416,1330 0.448,1331 0.278,1332 5.705,1333 8.833,1334 5.64,1335 4.681,1336 9.416,1337 5.841,1338 7.907,1339 0.293,1340 0.145,1341 7.907,1342 3.909,1343 6.657,1344 0.196,1345 0.078,1346 6.657,1347 2.635,1348 5.371,1349 0.131,1350 0.041,1351 5.371,1352 1.672,1353 3.361,1354 0.084,1355 0.023,1356 3.361,1357 0.91,1358 0.329,1359 60.424,1360 0.26,1361 19.721,1362 0.529,1363 96,1364 328.294,1365 109.451,1366 314.607,1367 432.79,1368 296,1369 109,1370 328.678,1371 123.396,1372 327.185,1373 465.73,1374 306,1375 7.824} {0 CHEMBL336548,1 1.839,2 11.407,3 3.789,4 14.359,5 93.358,6 8.475,7 0.429,8 3.911,9 4.014,10 3.547,11 3.385,12 5.196,13 3.406,14 4.433,15 4.584,16 3.924,17 3.714,18 6.155,19 3.717,20 4.643,21 4.852,22 3.863,23 3.796,24 5.876,25 3.775,26 4.665,27 4.88,28 3.864,29 3.718,30 5.968,31 3.729,32 4.592,33 4.776,34 3.882,35 3.698,36 5.92,37 3.724,38 4.607,39 4.798,40 3.851,41 3.724,42 5.959,43 3.719,44 4.619,45 4.82,46 3.848,47 3.699,48 6.062,49 3.673,50 4.581,51 4.824,52 3.696,53 3.592,54 5.976,55 3.556,56 0.267,57 0.839,58 7.207,59 4.36,60 42.636,61 4.661,62 1.004,63 1.573,64 15.758,65 6.788,66 174.353,67 7.819,68 0.78,69 1.355,70 22.38,71 7.946,72 102.048,73 10.078,74 1.011,75 1.391,76 24.485,77 7.663,78 140.759,79 8.91,80 0.93,81 1.312,82 21.239,83 7.136,84 112.749,85 7.978,86 0.969,87 1.32,88 21.295,89 7.162,90 118.349,91 8.586,92 1.173,93 1.321,94 22.089,95 7.418,96 113.403,97 9.394,98 0.991,99 1.418,100 23.083,101 7.248,102 132.099,103 9.054,104 37,105 37,106 0.32,107 0.645,108 0.8,109 0.897,110 0.897,111 0.897,112 3.339,113 0.883,114 -4.56,115 -4.49,116 -4.22,118 40,120 4,124 1,131 1,140 5,141 3,143 2,153 1,154 1,162 2,163 1,167 1,168 10,169 1,172 6,175 1,177 1,180 9,181 1,186 10,191 1,194 7,195 1,197 1,198 9,203 1,206 4,207 1,209 2,210 9,215 1,218 5,221 1,222 6,223 1,229 6,233 1,234 4,235 1,237 1,242 7,246 1,247 3,250 1,255 8,259 2,267 6,268 2,270 1439,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.896,277 12.655,278 10.954,279 18.131,280 13.872,281 13.872,282 13.872,283 13.872,284 13.872,285 11.204,286 9.782,287 5.263,288 14.618,289 3.653,290 1.778,291 0.886,292 0.328,293 0.328,294 0.328,295 4.004,298 1,299 1,300 1,301 626,302 4.528,306 207.942,313 1.652,314 50.136,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 63,326 308,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.024,336 4.287,337 3.999,338 6.494,339 3.947,340 2.982,341 3.669,342 2.373,343 10.157,344 2.778,345 3.679,346 3.596,347 5.279,348 3.241,349 2.261,350 3.099,351 2.341,352 6.538,353 2.222,354 3.55,355 2.942,356 4.659,357 3.232,358 2.236,359 2.71,361 5.184,362 2.174,363 3.252,364 2.347,365 4.601,366 2.807,367 1.859,368 2.489,370 4.715,371 1.751,372 2.834,373 1.924,374 4.099,375 2.666,376 1.706,377 1.918,379 3.746,380 1.62,381 2.797,382 1.785,383 3.771,384 2.339,385 1.38,386 1.852,388 3.324,389 1.308,390 2.595,391 1.463,392 3.507,393 2.276,394 1.314,395 1.608,397 2.774,398 1.254,399 2.558,400 1.318,401 3.471,402 2.093,403 1.113,404 1.539,406 2.532,407 1.078,408 2.5,409 1.171,410 3.247,411 1.96,412 1,413 1.5,415 2.136,416 0.957,417 2.138,418 1,419 3.194,420 1.825,421 0.85,422 1.04,424 1.941,425 0.824,426 1.517,427 0.875,428 2.751,429 1.343,430 0.371,431 0.414,433 0.824,434 0.357,435 0.968,436 0.661,437 2.679,438 0.781,439 -0.212,440 -0.227,442 -0.463,443 -0.208,444 0.756,445 0.51,446 2.302,447 0.331,448 -0.651,449 -0.847,451 -1.549,452 -0.636,453 0.649,454 0.51,455 2.162,456 0.212,457 -0.747,458 -0.889,460 -1.662,461 -0.7,462 12.057,463 0.447,464 0.71,465 0.026,466 31.5,467 1.167,468 15,469 0.556,470 16.5,471 0.611,472 21.809,473 0.808,474 31.143,475 0.692,476 26.627,477 0.986,478 6.592,479 0.244,480 6.284,481 0.233,482 0.126,483 0.041,484 0.207,485 3,487 0.594,488 0.96,489 0.654,490 1.12,491 0.628,492 0.989,493 0.489,494 0.855,495 0.749,496 1.126,497 0.374,498 1.088,499 0.742,500 0.905,501 0.816,502 1.012,503 0.637,504 0.973,505 1.12,506 0.996,507 0.991,508 0.917,509 1,510 0.89,511 1.118,512 0.976,513 0.984,514 0.948,515 0.903,516 0.921,517 0.93,518 0.852,519 1.026,520 1.007,521 0.836,522 1.056,523 0.618,524 1.006,525 0.9,526 1.07,527 0.664,528 1.11,529 0.907,530 1.09,531 1.02,532 1.046,533 0.966,534 1.077,535 5.5,536 0.157,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.408,543 0.23,544 0.158,545 8344,546 35120,547 1.946,548 40,549 4,550 7,552 2,553 1,554 2,555 2,558 1.703,559 1.81,560 3.425,561 -0.236,563 1,567 82.751,568 1.839,569 3.714,570 4.606,571 5.164,572 5.164,573 5.164,574 2.844,575 4.282,576 4.718,577 3.669,578 1287.65,579 8.207,580 17316.4,582 1,584 1,585 247.133,586 1.525,587 4.669,588 0.196,589 0.009,590 0.072,591 0.043,592 0.025,593 0.021,594 0.018,595 0.013,596 0.009,597 0.008,598 0.414,599 0.17,600 1,601 2.138,602 135.709,603 0.015,604 0.014,605 0.016,606 0.006,607 -0.065,608 0.001,609 0.341,610 0.19,611 0.079,612 -0.055,613 0.427,614 -0.101,615 -0.053,616 -0.148,617 0.085,618 -0.028,619 -0.001,620 0.057,621 -0.178,622 -0.065,623 -0.009,624 0.041,625 -0.127,626 0.089,627 -0.178,628 -0.093,629 -0.05,630 0.019,631 -0.12,632 0.035,633 -0.054,634 0.041,635 -0.108,636 -0.038,637 -0.07,638 -0.092,639 0.22,640 -0.142,641 0.038,642 -0.101,643 0.101,644 -0.118,645 0.035,646 -0.021,647 -0.004,648 -0.073,649 -0.001,650 -0.072,651 5.72,652 4.98,653 0.444,654 28.752,655 1.04,656 1.153,657 3.334,658 11.116,659 0.645,660 3.367,661 3.638,662 3.761,663 3.932,664 4.127,665 4.127,666 4.248,667 4.205,668 4.174,669 4.111,670 6.933,671 0.647,672 381.39,673 3.367,674 4.875,675 5.666,676 6.515,677 7.336,678 8.193,679 9.031,680 9.894,681 10.742,682 11.609,683 6.7,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 45,726 14,727 1,728 28,730 46,731 18,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 4,753 12,754 6,756 2,761 1,764 1,765 2,769 1,770 3,772 18,773 9,774 1,775 9,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,838 3,840 27,845 1,846 5,848 1,852 1,861 3,862 6.7,864 1,865 1,867 1,869 14.917,870 7.895,871 6.056,872 2.685,874 2.084,875 1.316,876 0.908,877 7.6,878 8.679,879 3.611,880 4.111,881 4.564,882 5.067,883 5.583,884 5.714,885 6.099,886 6.274,887 6.458,888 6.61,889 1,890 36,891 10.401,893 4.748,894 8.485,895 17.913,897 13.878,899 2.985,900 80.583,903 1,904 200.109,905 101.189,906 52.726,908 79.047,909 44.88,911 101.189,912 279.156,913 97.606,915 14.731,916 47.381,917 128.363,918 103.151,920 176.567,921 7.76,922 200.109,923 153.915,924 123.927,927 176.567,928 147.47,931 59.985,932 60.605,933 33.326,935 244.989,936 131.773,937 101.189,940 207.868,941 27.954,942 65.476,944 176.653,945 200.109,946 176.653,947 101.189,949 0.568,950 0.295,951 0.148,952 0.083,953 14,954 7,955 0.196,956 9,958 1,959 3.857,960 207.68,962 12,963 123.627,968 20.698,969 9.914,970 6.897,972 176.653,973 9.144,974 7.372,978 -0.081,980 42.683,981 477.951,982 36,987 10.445,990 3.985,991 -0.646,994 46.778,995 51.879,996 0.335,997 0.676,998 0.839,999 0.94,1000 0.94,1001 0.94,1002 4.82,1003 1.314,1004 5.659,1005 3.324,1006 4.317,1007 4.796,1008 3.705,1009 6.444,1010 4.217,1011 6.01,1012 1.113,1013 7.21,1014 2.774,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.302,1021 1,1022 8.89,1023 2.532,1024 5.927,1025 6.873,1026 5.787,1027 10.604,1028 5.695,1029 8.634,1030 0.85,1031 10.654,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.017,1038 10.002,1039 0.371,1040 12.473,1041 1.941,1042 7.907,1043 9.255,1044 8.215,1045 15.219,1046 7.487,1047 11.397,1048 -0.212,1049 14.33,1050 0.824,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.207,1056 12.811,1057 -0.651,1058 16.212,1059 -0.463,1060 10.084,1061 11.793,1062 10.797,1063 19.995,1064 9.454,1065 3.327,1066 -0.747,1067 18.111,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.368,1074 2.982,1075 11.708,1076 20.023,1077 -1.662,1078 12.361,1079 14.417,1080 13.441,1081 24.831,1082 11.518,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.525,1092 2.236,1093 6.538,1094 23.871,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.636,1101 1.859,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.686,1110 1.706,1111 4.715,1112 27.739,1113 2.71,1114 17.035,1115 19.803,1116 18.786,1117 34.574,1118 15.783,1119 1.38,1120 3.746,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.854,1128 8556,1129 17732,1130 17.97,1131 29.046,1132 41.551,1133 42.004,1134 41.026,1135 41.056,1136 40.8,1137 51.74,1138 17.079,1139 111.157,1140 38.694,1141 5.405,1142 6.46,1143 6.981,1144 5.234,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.024,1150 15.574,1151 1.484,1152 1.5,1153 1.465,1154 1.466,1155 1.457,1156 1.848,1157 0.61,1158 3.97,1159 1.382,1160 3.992,1161 4.02,1162 3.955,1163 3.913,1164 8.513,1165 3.917,1166 3.793,1167 3.838,1168 3.75,1169 3.662,1170 7.999,1171 3.674,1172 3.751,1173 3.803,1174 3.617,1175 3.605,1176 7.999,1177 3.596,1178 3.495,1179 3.53,1180 3.41,1181 3.258,1182 7.474,1183 3.276,1184 3.346,1185 3.389,1186 3.331,1187 3.078,1188 6.351,1189 3.124,1190 3.173,1191 3.218,1192 3.105,1193 2.911,1194 5.087,1195 2.942,1196 3.002,1197 3.055,1198 2.85,1199 2.75,1200 4.878,1201 2.77,1202 2.772,1203 2.854,1204 2.628,1205 2.608,1206 4.624,1207 2.601,1208 0.161,1209 0.159,1210 0.254,1211 0.15,1212 0.119,1213 4.497,1214 0.144,1215 4.46,1216 0.137,1217 7.119,1218 0.418,1219 4.2,1220 0.108,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.024,1226 1.944,1227 1.922,1228 2.028,1229 2.042,1230 1.329,1231 2.036,1232 1.747,1233 1.703,1234 1.986,1235 1.921,1236 1.141,1237 1.942,1238 1.732,1239 1.682,1240 1.841,1241 1.894,1242 0.94,1243 1.879,1244 1.417,1245 1.372,1246 1.676,1247 1.681,1248 0.867,1249 1.67,1250 1.161,1251 1.125,1252 1.297,1253 1.466,1254 0.453,1255 1.384,1256 1.034,1257 0.987,1258 1.217,1259 1.36,1260 0.304,1261 1.308,1262 0.938,1263 0.887,1264 1.198,1265 1.203,1266 0.248,1267 1.198,1268 0.766,1269 0.693,1270 1.049,1271 0.99,1272 0.073,1273 1.014,1274 4.043,1276 5.323,1278 6.786,1280 8.336,1282 9.939,1286 38.941,1289 8.576,1290 2.067,1292 5.248,1296 -4.47,1300 29.1,1301 82.751,1302 167.143,1303 207.259,1304 232.379,1305 232.379,1306 232.379,1307 86.437,1308 6.596,1309 84.67,1310 84.67,1311 12,1312 12.159,1313 3.907,1314 3.17,1315 58.332,1316 103,1317 137,1318 0.256,1319 181.193,1320 329.9,1321 433.87,1322 5362,1323 6.7,1324 19.7,1325 0.73,1326 0.53,1327 17.2,1328 14.316,1329 12.876,1330 0.46,1331 0.294,1332 8.061,1333 12.075,1334 7.987,1335 6.603,1336 11.665,1337 8.242,1338 11.791,1339 0.319,1340 0.154,1341 9.833,1342 5.687,1343 8.119,1344 0.193,1345 0.086,1346 7.157,1347 3.603,1348 6.285,1349 0.126,1350 0.046,1351 5.751,1352 2.275,1353 5.039,1354 0.083,1355 0.023,1356 4.484,1357 1.432,1358 0.406,1359 83.115,1360 0.236,1361 26.297,1362 0.692,1363 130,1364 654.889,1365 158.82,1366 541.432,1367 686,1368 498,1369 144,1370 466.629,1371 165.203,1372 445.531,1373 653.36,1374 416,1375 6.159} {0 CHEMBL33689,1 1.56,2 7.933,3 0.809,4 0.654,5 59.162,6 7.26,7 0.688,8 3.439,9 3.571,10 2.985,11 2.908,12 4.578,13 2.905,14 3.91,15 4.09,16 3.234,17 3.226,18 4.977,19 3.199,20 4.061,21 4.28,22 3.036,23 3.232,24 5.036,25 3.136,26 3.999,27 4.253,28 2.791,29 3.082,30 4.869,31 2.945,32 3.863,33 4.14,34 2.69,35 2.884,36 4.749,37 2.752,38 3.58,39 3.836,40 2.573,41 2.757,42 4.431,43 2.662,44 3.46,45 3.687,46 2.579,47 2.771,48 4.458,49 2.676,50 3.506,51 3.785,52 2.334,53 2.645,54 4.439,55 2.496,56 0.023,57 0.422,58 6.01,59 2.214,60 7.119,61 3.111,62 0.137,63 0.611,64 10.63,65 3.469,66 13.271,67 4.868,68 0.216,69 0.62,70 13.164,71 4.304,72 20.596,73 6.103,74 0.126,75 0.549,76 12.635,77 4.227,78 18.549,79 6.167,80 0.222,81 0.451,82 11.506,83 3.616,84 21.394,85 5.403,86 0.116,87 0.383,88 8.315,89 2.624,90 10.424,91 3.902,92 0.055,93 0.387,94 6.757,95 2.316,96 9.292,97 3.535,98 0.094,99 0.364,100 7.604,101 2.447,102 13.074,103 3.814,104 2,105 20,106 0.305,107 0.678,108 0.815,109 0.843,110 0.843,111 0.843,112 2.791,113 0.897,114 -2.32,115 -2.36,116 -2.32,118 39.3,124 2,140 4,142 2,143 1,149 1,156 1,159 1,160 1,161 1,168 2,171 1,172 2,177 2,180 2,183 2,185 1,186 2,191 2,194 2,196 2,209 1,210 2,212 1,213 1,222 2,234 2,247 2,249 1,250 1,270 214,271 10.276,272 10.276,273 10.276,274 10.276,275 10.276,276 8.878,277 11.529,278 6.391,279 10.621,280 7.916,281 7.916,282 7.916,283 7.916,284 7.916,285 5.933,286 10.612,287 3.078,288 8.463,289 3.247,290 1.345,291 0.643,292 0.5,293 0.5,294 0.5,295 3.445,299 1,300 1,301 251,302 2.121,305 44.446,306 51.004,313 1.28,314 9.09,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 32.5,326 119,327 4.014,328 2.912,329 5.42,330 3.583,331 2.629,332 3.615,333 0.86,334 7.175,335 2.516,336 3.917,337 2.636,338 5.344,339 3.448,340 2.529,341 3.478,343 6.974,344 2.316,345 3.422,346 2.358,347 4.888,348 3.043,349 2.104,350 2.707,352 5.691,353 1.966,354 2.713,355 1.61,356 3.604,357 2.346,358 1.414,359 1.776,361 3.004,362 1.312,363 2.5,364 1.184,365 3.414,366 2,367 1,368 1.5,370 2.275,371 1,372 2.169,373 1,374 3.184,375 1.836,376 0.936,377 1.119,379 2.048,380 0.837,381 2.118,382 0.618,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 1.315,391 0.323,392 2.531,393 1.016,394 0.088,395 0.103,397 0.197,398 0.081,399 0.763,400 -0.177,401 2,402 0.464,403 -0.451,404 -0.528,406 -1.011,407 -0.411,408 0.5,409 -0.759,410 1.841,412 -1,413 -1.28,415 -2.675,416 -1,417 0.09,418 -1,419 1.453,420 -0.212,421 -1.121,422 -1.5,424 -3,425 -1.01,426 -0.105,427 -1.273,428 1,429 -0.465,430 -1.414,431 -1.702,433 -3.093,434 -1.331,435 -0.118,436 -1.489,437 0.872,438 -0.703,439 -1.618,440 -2.201,442 -4.372,443 -1.476,444 -0.428,445 -1.618,446 0.586,447 -0.83,448 -1.734,449 -2.427,451 -4.378,452 -1.583,453 -0.5,454 -1.807,455 0.522,456 -1,457 -1.979,458 -2.586,460 -4.932,461 -1.793,462 7.033,463 0.469,464 0.243,465 0.016,466 21,467 1.4,468 11,469 0.733,470 10,471 0.667,472 7.617,473 0.508,474 16.367,475 0.585,476 11.692,477 0.779,478 4.394,479 0.293,480 2.949,481 0.197,482 0.057,484 0.199,487 1.022,488 1.451,489 0.829,490 1.154,491 1.118,492 0.981,493 1.37,494 1.063,495 1.028,496 0.999,497 0.896,498 0.963,499 1.355,500 0.988,501 1.21,502 1.1,503 1.22,504 1.14,505 1.065,506 1.073,507 1.086,508 1.197,509 1.093,510 1.162,511 0.837,512 0.804,513 0.853,514 0.898,515 0.601,516 0.896,517 1.147,518 0.87,519 0.891,520 0.75,521 0.786,522 0.788,523 0.644,524 1.161,525 1.018,526 1.082,527 0.963,528 1.088,529 0.519,530 0.942,531 1.004,532 1.034,533 1.059,534 1.075,535 2.5,536 0.02,537 1.111,538 0.347,539 0.307,540 0.226,541 0.127,542 0.047,543 0.079,544 0.047,545 1919,546 5221,547 2.071,548 46.4,550 8,551 1,552 2,553 2,558 1.518,559 2,560 3.016,561 0.496,565 1,567 43.692,568 1.56,569 3.463,570 4.164,571 4.307,572 4.307,573 4.307,574 2.506,575 3.24,576 3.883,577 3.129,578 328.591,579 6.447,580 2817.55,582 1,585 134.606,586 1.053,587 3.867,588 0.156,589 0.01,590 0.056,591 0.023,592 0.028,593 0.023,594 0.013,595 0.005,596 0.011,597 0.012,598 0.336,599 0.67,600 1,601 0.521,602 60.723,603 -0.088,604 -0.238,605 0.045,606 -0.106,607 -0.154,608 -0.019,609 -0.161,610 0.047,611 -0.087,612 -0.016,613 -0.021,614 -0.034,615 -0.127,616 -0.024,617 -0.242,618 -0.121,619 -0.189,620 -0.19,621 -0.077,622 -0.191,623 -0.117,624 -0.215,625 -0.149,626 -0.178,627 0.27,628 0.023,629 0.162,630 0.058,631 0.285,632 0.084,633 -0.146,634 0.043,635 0.09,636 0.226,637 -0.013,638 0.192,639 -0.092,640 -0.093,641 -0.126,642 -0.084,643 -0.111,644 -0.104,645 0.063,646 0.013,647 -0.063,648 -0.086,649 -0.097,650 -0.095,651 0.919,652 2.03,653 0.733,654 9.182,655 1.002,656 1.135,657 1.092,658 1.193,659 0.653,660 2.833,661 3.045,662 3.178,663 3.296,664 3.296,665 3.135,666 3.045,667 3.045,668 3.135,669 3.045,670 4.859,671 0.622,672 203.27,673 2.833,674 4.29,675 5.069,676 5.872,677 6.663,678 7.467,679 8.262,680 9.065,681 9.861,682 10.664,683 10.7,687 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,716 1,722 1,724 28,726 11,727 1,728 16,730 29,731 11,733 9,734 2,735 4,739 2,740 2,753 9,754 2,769 1,772 13,773 3,774 2,775 4,778 1,779 3,784 1,785 1,801 1,802 1,832 2,840 15,841 1,846 2,848 1,862 3.6,867 1,869 7.5,870 4.733,871 3.417,872 1.492,874 1.841,875 1.33,876 0.97,877 3.246,878 7.413,879 3.114,880 3.631,881 4.088,882 4.532,883 4.72,884 4.498,885 4.427,886 4.644,887 5.062,888 5.364,889 1,890 15,891 5.478,892 -0.001,893 2.177,894 7.689,895 10.451,897 7.989,899 2.189,900 32.833,901 0.004,904 129.482,905 79.317,906 51.582,908 11,911 79.317,912 140.482,913 51.582,915 6.698,916 79.85,917 48.946,918 29.947,919 11.771,920 94.169,922 129.482,923 130.898,924 11,927 129.482,928 11,931 26.263,932 87.85,933 16.786,935 129.482,936 62.582,937 79.317,940 129.482,941 14.698,942 66.518,944 60.683,945 129.482,946 62.582,947 79.317,949 0.558,950 0.303,951 0.15,952 0.071,953 9,954 3,955 0.138,956 4,958 1,959 2.942,960 87.607,962 11,963 54.603,968 10.051,969 4.844,970 2.992,972 60.683,973 12.813,974 3.95,978 1.585,979 1.97,980 32.897,981 271.381,982 21.5,994 28.051,995 31.78,996 0.325,997 0.72,998 0.866,999 0.896,1000 0.896,1001 0.896,1002 4.259,1003 0.088,1004 4.977,1005 1.372,1006 3.714,1007 4.311,1008 0.908,1009 5.602,1010 3.589,1011 5.408,1012 -0.451,1013 6.415,1014 0.197,1015 2.944,1016 3.726,1018 6.071,1019 2.746,1020 6.65,1021 -1,1022 7.942,1023 -1.011,1024 5.13,1025 6.379,1026 0.739,1027 9.05,1028 4.882,1029 7.928,1030 -1.121,1031 9.52,1032 -2.675,1033 5.198,1034 6.659,1036 10.34,1037 4.863,1038 9.234,1039 -1.414,1040 11.13,1041 -3,1042 6.767,1043 8.67,1044 0.593,1045 12.732,1046 6.404,1047 10.56,1048 -1.618,1049 12.76,1050 -3.093,1051 7.235,1052 9.358,1054 14.361,1055 6.781,1056 11.898,1057 -1.734,1058 14.404,1059 -4.372,1060 8.516,1061 11.066,1062 0.469,1063 16.521,1064 8.04,1065 2.629,1066 -1.979,1067 16.057,1068 -4.378,1069 9.193,1070 11.975,1072 18.311,1073 8.629,1074 2.529,1075 7.175,1076 17.715,1077 -4.932,1078 10.326,1079 13.519,1080 0.366,1081 20.367,1082 9.742,1083 2.104,1084 6.974,1085 19.379,1086 3.615,1087 11.12,1088 14.557,1090 22.237,1091 10.453,1092 1.414,1093 5.691,1094 21.045,1095 3.478,1096 12.173,1097 16.006,1098 0.283,1099 24.243,1100 11.483,1101 1,1102 3.004,1103 22.714,1104 2.707,1105 13.034,1106 17.124,1108 26.155,1109 12.268,1110 0.936,1111 2.275,1112 24.384,1113 1.776,1114 14.043,1115 18.513,1116 0.217,1117 28.138,1118 13.251,1119 0.618,1120 2.048,1121 26.056,1122 1.5,1123 14.942,1124 19.683,1126 30.072,1127 14.082,1128 1912,1129 3221,1130 10.92,1131 18.279,1132 22.894,1133 22.764,1134 22.768,1135 22.653,1136 22.636,1137 30.448,1138 1.72,1139 57.472,1140 21.209,1141 4.883,1142 4.912,1143 5.078,1144 4.664,1145 4.629,1146 6.615,1147 1.72,1148 12.45,1149 4.516,1150 4.626,1151 1.431,1152 1.423,1153 1.423,1154 1.416,1155 1.415,1156 1.903,1157 0.108,1158 3.592,1159 1.326,1160 3.95,1161 4.007,1162 3.886,1163 3.827,1164 5.123,1165 3.831,1166 3.873,1167 3.915,1168 3.814,1169 3.695,1170 4.956,1171 3.723,1172 3.362,1173 3.421,1174 3.223,1175 3.146,1176 4.699,1177 3.152,1178 3.015,1179 3.116,1180 2.867,1181 2.785,1182 4.154,1183 2.797,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.674,1189 2.715,1190 2.564,1191 2.667,1192 2.351,1193 2.32,1194 3.633,1195 2.306,1196 2.451,1197 2.556,1198 2.243,1199 2.119,1200 3.333,1201 2.136,1202 2.288,1203 2.416,1204 2.026,1205 1.941,1206 3.084,1207 1.94,1208 0.251,1209 0.182,1210 0.339,1211 0.224,1212 0.164,1213 4.014,1214 0.226,1215 2.912,1216 0.054,1217 5.42,1218 0.448,1219 3.583,1220 0.157,1221 2.629,1222 3.615,1223 0.86,1224 7.175,1225 2.516,1226 1.879,1227 1.853,1228 1.992,1229 1.999,1230 1.106,1231 1.997,1232 1.627,1233 1.559,1234 1.824,1235 1.86,1236 1.019,1237 1.853,1238 1.309,1239 1.245,1240 1.5,1241 1.528,1242 0.527,1243 1.521,1244 1.115,1245 1.051,1246 1.339,1247 1.42,1248 0.316,1249 1.401,1250 0.917,1251 0.828,1252 1.218,1253 1.234,1254 0.218,1255 1.246,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.096,1261 1.107,1262 0.372,1263 0.236,1264 0.855,1265 0.755,1267 0.788,1268 0.235,1269 0.085,1270 0.734,1271 0.58,1273 0.645,1274 3.497,1276 4.727,1277 2.398,1278 6.129,1279 4.443,1280 7.605,1281 6.26,1282 9.12,1288 5.565,1290 1.421,1292 5.53,1300 17.413,1301 43.692,1302 96.954,1303 116.606,1304 120.606,1305 120.606,1306 120.606,1307 14.551,1308 5.572,1309 53.07,1310 53.07,1311 11,1312 11.26,1313 3.585,1314 2.7,1315 23.928,1316 44,1317 35,1318 0.269,1319 111.242,1320 180.93,1321 263.189,1322 1561,1324 10.51,1325 0.701,1326 0.556,1327 10.51,1328 8.336,1329 7.343,1330 0.459,1331 0.299,1332 4.697,1333 6.994,1334 4.612,1335 3.843,1336 7.343,1337 4.785,1338 6.207,1339 0.31,1340 0.161,1341 6.207,1342 3.218,1343 4.835,1344 0.21,1345 0.089,1346 4.835,1347 2.058,1348 3.612,1349 0.139,1350 0.048,1351 3.612,1352 1.252,1353 2.455,1354 0.094,1355 0.027,1356 2.455,1357 0.697,1358 0.429,1359 46.369,1360 0.303,1361 15.797,1362 0.706,1363 72,1364 218.338,1365 80.095,1366 210.516,1367 285.94,1368 198,1369 79,1370 208.229,1371 87.235,1372 210.727,1373 298.16,1374 197,1375 5.301} {0 CHEMBL33690,1 1.606,2 9.444,3 0.676,4 0.457,5 67.544,6 7.434,7 0.579,8 3.594,9 3.717,10 3.154,11 3.059,12 4.741,13 3.06,14 4.087,15 4.267,16 3.424,17 3.366,18 5.222,19 3.348,20 4.244,21 4.452,22 3.251,23 3.395,24 5.298,25 3.325,26 4.173,27 4.405,28 3.145,29 3.332,30 5.151,31 3.231,32 4.135,33 4.371,34 3.062,35 3.23,36 5.186,37 3.123,38 3.982,39 4.243,40 2.868,41 3.08,42 4.906,43 2.969,44 3.763,45 4.003,46 2.862,47 2.959,48 4.825,49 2.874,50 3.678,51 3.911,52 2.643,53 2.842,54 4.654,55 2.743,56 0.034,57 0.488,58 6.729,59 2.692,60 5.392,61 3.652,62 0.224,63 0.714,64 12.594,65 4.103,66 18.966,67 5.724,68 0.363,69 0.735,70 15.952,71 4.871,72 35.105,73 6.667,74 0.171,75 0.68,76 14.651,77 5.194,78 21.533,79 7.336,80 0.287,81 0.619,82 14.591,83 4.913,84 31.491,85 6.932,86 0.194,87 0.541,88 12.752,89 4.123,90 23.167,91 6.012,92 0.202,93 0.475,94 9.721,95 3.171,96 20.003,97 4.758,98 0.166,99 0.429,100 8.949,101 2.86,102 15.011,103 4.1,104 7,105 24,106 0.301,107 0.676,108 0.827,109 0.85,110 0.85,111 0.85,112 2.957,113 0.9,114 -2.41,115 -2.44,116 -2.39,118 39.4,119 1,124 2,140 4,142 2,143 1,149 1,154 1,156 1,168 2,171 1,172 3,175 1,177 3,180 2,185 1,186 2,191 2,194 2,198 2,206 2,209 1,210 4,213 1,218 2,222 2,233 1,234 3,247 2,250 1,270 390,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.585,277 15.206,278 7.54,279 12.485,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 7.156,286 17.871,287 3.632,288 9.96,289 3.438,290 1.433,291 0.629,292 0.508,293 0.508,294 0.508,295 3.616,299 1,300 1,301 352,302 2.915,305 57.653,306 64.052,313 1.778,314 14.172,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 170,327 4.06,328 3.533,329 5.534,330 3.655,331 2.691,332 3.648,333 1.907,334 7.518,335 2.594,336 3.919,337 2.912,338 5.354,339 3.457,340 2.541,341 3.478,342 0.86,343 7.003,344 2.323,345 3.634,346 2.638,347 5.197,348 3.28,349 2.323,350 2.897,351 0.149,352 6.573,353 2.218,354 3.269,355 2.402,356 4.399,357 2.861,358 1.857,359 2.451,361 4.512,362 1.839,363 2.713,364 1.622,365 3.606,366 2.345,367 1.411,368 1.775,370 3.006,371 1.311,372 2.5,373 1.196,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.172,382 1,383 3.195,384 1.838,385 0.937,386 1.121,388 2.058,389 0.838,390 2.118,391 0.689,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.412,400 0.618,401 2.638,402 1.101,403 0.156,404 0.184,406 0.366,407 0.146,408 0.925,409 0.284,410 2.348,411 0.626,412 -0.303,413 -0.348,415 -0.749,416 -0.279,417 0.572,418 -0.043,419 2,420 0.133,421 -0.834,422 -0.979,424 -2,425 -0.773,426 0.5,427 -0.459,428 1.68,429 0.072,430 -1,431 -1.368,433 -2.024,434 -1,435 0.289,436 -1,437 1.278,439 -1,440 -1.5,442 -2.857,443 -1.093,444 0.02,445 -1.033,446 1,447 -0.343,448 -1.277,449 -1.578,451 -3,452 -1.198,453 -0.118,454 -1.34,455 1,456 -0.703,457 -1.618,458 -1.906,460 -4.277,461 -1.466,462 8.367,463 0.465,464 0.349,465 0.019,466 24.5,467 1.361,468 12.5,469 0.694,470 12,471 0.667,472 10.346,473 0.575,474 19.833,475 0.601,476 15.037,477 0.835,478 5.139,479 0.285,480 3.598,481 0.2,482 0.1,484 0.227,487 0.825,488 1.57,489 0.781,490 1.246,491 0.598,492 1.036,493 1.057,494 1.107,495 0.943,496 1.007,497 0.636,498 0.952,499 1.514,500 0.876,501 1.28,502 0.944,503 1.418,504 1.051,505 0.879,506 1.068,507 0.986,508 1.169,509 0.643,510 1.112,511 0.931,512 0.95,513 0.999,514 1.079,515 1.048,516 1.072,517 0.948,518 0.918,519 0.895,520 0.898,521 0.978,522 0.897,523 0.505,524 1.006,525 0.823,526 0.946,527 0.319,528 0.931,529 1.048,530 0.934,531 1.15,532 1.005,533 0.778,534 1.083,535 3.5,536 0.053,537 1.111,538 0.597,539 0.507,540 0.344,541 0.248,542 0.078,543 0.103,544 0.047,545 3184,546 9575,547 2.026,548 45.5,550 8,551 1,552 2,553 1,554 3,558 1.576,559 1.929,560 3.238,561 -0.225,563 1,565 1,567 53.001,568 1.606,569 3.611,570 4.415,571 4.537,572 4.537,573 4.537,574 2.711,575 3.503,576 4.139,577 3.417,578 522.728,579 6.973,580 5251.04,582 1,585 166.465,586 1.224,587 4.116,588 0.184,589 0.009,590 0.046,591 0.031,592 0.03,593 0.023,594 0.019,595 0.006,596 0.01,597 0.007,598 0.366,599 0.67,600 1,601 1.047,602 79.301,603 -0.052,604 -0.349,605 0.052,606 -0.172,607 -0.043,608 -0.061,609 -0.027,610 0.007,611 -0.014,612 -0.03,613 0.068,614 -0.02,615 -0.263,616 0.117,617 -0.296,618 0.011,619 -0.268,620 -0.123,621 -0.04,622 -0.13,623 -0.04,624 -0.155,625 0.03,626 -0.103,627 0.092,628 -0.055,629 -0.015,630 -0.087,631 -0.002,632 -0.08,633 -0.063,634 -0.037,635 0.092,636 0.085,637 -0.064,638 0.11,639 0.246,640 -0.021,641 0.123,642 0.037,643 0.251,644 0.062,645 -0.13,646 0.06,647 -0.193,648 -0.046,649 -0.125,650 -0.123,651 1.747,652 3.85,653 0.611,654 15.63,655 1.008,656 1.133,657 1.181,658 1.394,659 0.651,660 2.996,661 3.219,662 3.332,663 3.497,664 3.497,665 3.434,666 3.497,667 3.434,668 3.367,669 3.367,670 5.8,671 0.626,672 245.31,673 2.996,674 4.466,675 5.242,676 6.057,677 6.847,678 7.663,679 8.46,680 9.276,681 10.077,682 10.892,683 9.1,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 33,726 12,727 1,728 19,730 34,731 13,733 9,734 2,735 4,739 2,740 2,745 1,753 10,754 3,756 1,761 1,765 1,769 1,772 15,773 4,774 1,775 5,778 1,779 3,784 1,785 2,801 1,802 1,816 1,832 2,836 1,840 18,846 2,847 1,848 1,862 6.1,865 1,867 1,869 9.333,870 6.067,871 4.083,872 1.825,874 1.93,875 1.325,876 0.946,877 4.367,878 7.863,879 3.277,880 3.778,881 4.184,882 4.668,883 4.886,884 4.844,885 5.051,886 5.173,887 5.22,888 5.538,889 1,890 19,891 6.589,893 2.621,894 7.833,895 12.443,897 9.422,899 2.333,900 42,901 0.001,904 164.795,905 92.847,906 36.695,908 36.145,911 92.847,912 200.94,913 36.695,914 8.825,915 24.709,916 46.952,917 78.796,918 29.947,919 11.771,920 129.482,922 164.795,923 129.542,924 36.145,927 164.795,928 36.145,931 53.099,932 59.657,933 16.786,935 164.795,936 72.84,937 92.847,940 164.795,941 19.403,942 75.343,943 18.011,944 52.93,945 164.795,946 72.84,947 92.847,949 0.558,950 0.291,951 0.154,952 0.071,953 10,954 4,955 0.147,956 5,958 1,959 3.236,960 112.698,962 11,963 71.059,968 12.647,969 6.215,970 4.188,972 70.941,973 12.676,974 3.954,978 1.55,979 1.95,980 18.011,981 330.482,982 25.5,987 10.85,991 -0.08,994 33.262,995 37.405,996 0.318,997 0.716,998 0.875,999 0.899,1000 0.899,1001 0.899,1002 4.44,1003 0.618,1004 5.165,1005 2.058,1006 3.892,1007 4.46,1008 2.143,1009 5.808,1010 3.788,1011 5.595,1012 0.156,1013 6.613,1014 1.372,1015 3.219,1016 3.98,1017 1.593,1018 6.326,1019 3.093,1020 6.844,1021 -0.303,1022 8.15,1023 0.366,1024 5.323,1025 6.5,1026 2.962,1027 9.305,1028 5.11,1029 8.125,1030 -0.834,1031 9.737,1032 -0.749,1033 5.442,1034 6.827,1035 3.032,1036 10.621,1037 5.192,1038 9.431,1039 -1,1040 11.355,1041 -2,1042 6.974,1043 8.77,1044 4.052,1045 13.037,1046 6.659,1047 10.755,1048 -1,1049 12.994,1050 -2.024,1051 7.476,1052 9.484,1053 4.409,1054 14.693,1055 7.11,1056 12.091,1057 -1.277,1058 14.646,1059 -2.857,1060 8.74,1061 11.156,1062 5.254,1063 16.879,1064 8.326,1065 2.691,1066 -1.618,1067 16.308,1068 -3,1069 9.445,1070 12.083,1071 5.75,1072 18.699,1073 8.976,1074 2.541,1075 7.518,1076 17.977,1077 -4.277,1078 10.571,1079 13.606,1080 6.502,1081 20.781,1082 10.063,1083 2.323,1084 7.003,1085 19.65,1086 3.648,1087 11.389,1088 14.66,1089 7.068,1090 22.683,1091 10.827,1092 1.857,1093 6.573,1094 21.327,1095 3.478,1096 12.442,1097 16.096,1098 7.771,1099 24.717,1100 11.846,1101 1.411,1102 4.512,1103 23.007,1104 2.897,1105 13.325,1106 17.228,1107 8.374,1108 26.662,1109 12.678,1110 1,1111 3.006,1112 24.689,1113 2.451,1114 14.34,1115 18.61,1116 9.051,1117 28.674,1118 13.66,1119 0.937,1120 2.275,1121 26.373,1122 1.775,1123 15.26,1124 19.792,1125 9.674,1126 30.643,1127 14.533,1128 3196,1129 5621,1130 12.712,1131 21.495,1132 27.437,1133 27.535,1134 27.2,1135 27.032,1136 27.069,1137 35.962,1138 5.832,1139 69.366,1140 25.691,1141 4.933,1142 5.533,1143 5.192,1144 4.741,1145 4.691,1146 6.648,1147 3.306,1148 12.793,1149 4.594,1150 7.558,1151 1.444,1152 1.449,1153 1.432,1154 1.423,1155 1.425,1156 1.893,1157 0.307,1158 3.651,1159 1.352,1160 3.957,1161 4.01,1162 3.895,1163 3.836,1164 7.43,1165 3.842,1166 3.883,1167 3.928,1168 3.825,1169 3.696,1170 4.963,1171 3.724,1172 3.531,1173 3.572,1174 3.44,1175 3.295,1176 4.842,1177 3.32,1178 3.334,1179 3.396,1180 3.183,1181 3.131,1182 4.361,1183 3.132,1184 2.895,1185 2.976,1186 2.755,1187 2.735,1188 3.894,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.711,1194 3.674,1195 2.713,1196 2.568,1197 2.663,1198 2.336,1199 2.32,1200 3.668,1201 2.305,1202 2.473,1203 2.563,1204 2.253,1205 2.16,1206 3.461,1207 2.178,1208 0.214,1209 0.186,1210 0.291,1211 0.192,1212 0.142,1213 4.06,1214 0.192,1215 3.533,1216 0.1,1217 5.534,1218 0.396,1219 3.655,1220 0.137,1221 2.691,1222 3.648,1223 1.907,1224 7.518,1225 2.594,1226 1.886,1227 1.861,1228 1.995,1229 2.009,1230 1.111,1231 2.004,1232 1.629,1233 1.562,1234 1.826,1235 1.868,1236 1.038,1237 1.858,1238 1.442,1239 1.391,1240 1.7,1241 1.693,1242 0.714,1243 1.691,1244 1.308,1245 1.243,1246 1.5,1247 1.527,1248 0.528,1249 1.52,1250 1.096,1251 1.03,1252 1.331,1253 1.38,1254 0.317,1255 1.374,1256 0.886,1257 0.821,1258 1.181,1259 1.107,1260 0.218,1261 1.123,1262 0.837,1263 0.762,1264 1.103,1265 1.062,1266 0.157,1267 1.107,1268 0.409,1269 0.326,1270 0.845,1271 0.776,1273 0.789,1274 3.664,1276 4.905,1277 2.398,1278 6.308,1279 4.443,1280 7.786,1281 6.26,1282 9.306,1284 1.482,1290 1.337,1291 2.704,1292 5.578,1300 20.655,1301 53.001,1302 119.162,1303 145.71,1304 149.71,1305 149.71,1306 149.71,1307 22.955,1308 5.932,1309 56.15,1310 56.15,1311 11,1312 11.48,1313 3.7,1314 2.907,1315 31.385,1316 62,1317 50,1318 0.246,1319 131.495,1320 221.68,1321 312.608,1322 2528,1324 12.795,1325 0.711,1326 0.565,1327 12.795,1328 10.167,1329 8.737,1330 0.46,1331 0.3,1332 5.591,1333 8.277,1334 5.448,1335 4.549,1336 8.737,1337 5.701,1338 7.598,1339 0.317,1340 0.161,1341 7.598,1342 3.855,1343 5.471,1344 0.203,1345 0.087,1346 5.471,1347 2.352,1348 4.417,1349 0.138,1350 0.048,1351 4.417,1352 1.526,1353 2.924,1354 0.091,1355 0.026,1356 2.924,1357 0.844,1358 0.398,1359 55.429,1360 0.28,1361 18.84,1362 0.636,1363 86,1364 291.094,1365 97.336,1366 275.447,1367 367.34,1368 258,1369 94,1370 261.274,1371 104.396,1372 262.009,1373 370.5,1374 245,1375 5.398} {0 CHEMBL337048,1 1.619,2 9.818,3 2.23,4 4.973,5 81.773,6 7.676,7 0.522,8 3.753,9 3.859,10 3.327,11 3.26,12 4.981,13 3.253,14 4.22,15 4.382,16 3.561,17 3.575,18 5.453,19 3.535,20 4.447,21 4.661,22 3.551,23 3.63,24 5.508,25 3.566,26 4.405,27 4.631,28 3.533,29 3.511,30 5.51,31 3.478,32 4.325,33 4.501,34 3.563,35 3.498,36 5.515,37 3.488,38 4.346,39 4.537,40 3.476,41 3.542,42 5.545,43 3.482,44 4.341,45 4.587,46 3.246,47 3.518,48 5.339,49 3.39,50 4.233,51 4.499,52 3.02,53 3.412,54 5.081,55 3.254,56 0.105,57 0.55,58 7.48,59 3.476,60 12.395,61 4.338,62 0.277,63 0.823,64 13.505,65 5.38,66 43.273,67 7.031,68 0.319,69 0.939,70 19.073,71 6.565,72 47.347,73 8.971,74 0.399,75 0.887,76 18.914,77 5.673,78 50.11,79 7.776,80 0.447,81 0.817,82 16.695,83 5.176,84 46.026,85 6.598,86 0.491,87 0.867,88 16.793,89 5.451,90 53.36,91 7.377,92 0.348,93 0.857,94 17.403,95 5.941,96 39.512,97 8.644,98 0.192,99 0.758,100 15.701,101 5.786,102 26.002,103 8.483,104 12,105 28,106 0.29,107 0.636,108 0.779,109 0.833,110 0.845,111 0.845,112 3.145,113 0.913,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 5,141 2,143 2,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 6,175 1,177 1,180 8,181 1,186 7,191 1,194 5,195 1,197 2,198 9,203 1,206 2,209 2,210 8,211 1,218 3,221 1,222 5,223 1,225 1,229 4,233 1,234 4,237 1,242 6,247 2,255 5,256 2,259 4,264 2,267 3,268 2,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.32,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.774,289 3.667,290 1.734,291 0.932,292 0.635,293 0.564,294 0.564,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 21.976,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.99,331 3.006,332 3.943,333 2.373,334 10.173,335 2.957,336 3.736,337 3.596,338 5.247,339 3.261,340 2.278,341 3.298,342 2.341,343 6.4,344 2.24,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.774,358 1.828,359 2.58,361 4.066,362 1.723,363 2.792,364 1.806,365 3.73,366 2.594,367 1.634,368 1.908,370 3.366,371 1.564,372 2.781,373 1.66,374 3.555,375 2.281,376 1.317,377 1.814,379 2.88,380 1.265,381 2.503,382 1.317,383 3.4,384 2.143,385 1.172,386 1.5,388 2.524,389 1.129,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.917,403 1,404 1.439,406 2.136,407 0.916,408 1.932,409 1,410 3,411 1.622,412 0.671,413 0.815,415 1.531,416 0.632,417 1.234,418 0.809,419 2.459,420 1.092,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.404,430 -0.555,431 -0.615,433 -1.223,434 -0.517,435 0.719,436 0.008,437 1.879,438 0.257,439 -0.705,440 -0.952,442 -1.547,443 -0.674,444 0.5,445 -0.614,446 1.555,447 0.017,448 -1,449 -1.213,451 -2,452 -0.93,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.946,462 10.2,463 0.464,464 0.315,465 0.014,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 14.627,473 0.665,474 24,475 0.615,476 19.687,477 0.895,478 5.956,479 0.271,480 4.814,481 0.219,482 0.065,484 0.196,487 0.718,488 1.266,489 0.766,490 1.116,491 0.694,492 0.985,493 0.738,494 1.115,495 0.945,496 1.105,497 0.513,498 1.072,499 1.021,500 1.137,501 0.955,502 1.025,503 0.982,504 0.991,505 1.202,506 0.877,507 0.945,508 0.836,509 0.955,510 0.828,511 1.519,512 1.016,513 1.094,514 0.893,515 1.101,516 0.91,517 1.02,518 1.101,519 1.179,520 1.04,521 0.911,522 1.116,523 0.607,524 0.952,525 1.07,526 1.012,527 0.427,528 1.11,529 0.426,530 0.974,531 0.999,532 1.114,533 0.451,534 1.156,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16393,547 2.022,548 43.6,549 2,550 7,552 3,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.552,570 4.353,571 4.651,572 4.721,573 4.721,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.043,604 -0.095,605 0.031,606 -0.028,607 -0.022,608 -0.013,609 0.075,610 -0.02,611 -0.074,612 -0.076,613 0.164,614 -0.101,615 -0.108,616 -0.169,617 0.005,618 -0.032,619 -0.116,620 -0.002,621 -0.116,622 0.114,623 0.063,624 0.09,625 -0.093,626 0.112,627 -0.176,628 -0.006,629 -0.102,630 0.055,631 -0.17,632 -0.004,633 0.022,634 -0.063,635 -0.23,636 -0.08,637 -0.048,638 -0.182,639 0.04,640 0.045,641 -0.129,642 -0.035,643 0.061,644 -0.104,645 0.03,646 -0.019,647 -0.071,648 -0.104,649 0.011,650 -0.101,651 2.463,652 3.428,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.303,874 2.058,875 1.335,876 0.908,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.054,893 3.222,894 7.962,895 15.074,897 11.458,899 2.462,900 54.167,904 188.338,905 96.328,906 52.971,908 79.047,911 96.328,912 267.385,913 52.971,915 12.196,916 47.381,917 140.379,918 63.703,920 153.024,922 188.338,923 149.299,924 79.047,927 164.795,928 102.589,931 58.309,932 57.419,933 33.571,935 188.338,936 132.018,937 96.328,940 188.338,941 22.234,942 74.095,944 132.018,945 188.338,946 132.018,947 96.328,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 90.107,968 15.964,969 8.779,970 5.482,972 132.018,973 14.426,974 7.991,978 1.669,980 42.683,981 416.684,982 31,987 10.428,990 4.17,991 -0.144,994 39.473,995 44.03,996 0.306,997 0.672,998 0.824,999 0.88,1000 0.893,1001 0.893,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.989,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.185,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.378,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.498,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.085,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.685,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.987,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.835,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 11.009,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.981,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.098,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.13,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.225,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.284,1128 5050,1129 9264,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.499,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.483,1141 5.256,1142 5.999,1143 6.322,1144 5.058,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.957,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.413,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.369,1160 3.966,1161 3.999,1162 3.918,1163 3.888,1164 7.474,1165 3.889,1166 3.764,1167 3.812,1168 3.701,1169 3.63,1170 6.351,1171 3.643,1172 3.726,1173 3.774,1174 3.6,1175 3.567,1176 5.065,1177 3.563,1178 3.416,1179 3.443,1180 3.326,1181 3.14,1182 4.864,1183 3.173,1184 3.174,1185 3.222,1186 3.097,1187 2.98,1188 4.676,1189 3,1190 2.868,1191 2.925,1192 2.7,1193 2.735,1194 4.037,1195 2.715,1196 2.854,1197 2.916,1198 2.687,1199 2.549,1200 3.962,1201 2.576,1202 2.679,1203 2.776,1204 2.56,1205 2.522,1206 3.781,1207 2.526,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.99,1220 0.129,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.957,1226 1.93,1227 1.903,1228 2.033,1229 2.03,1230 1.276,1231 2.028,1232 1.721,1233 1.676,1234 1.949,1235 1.896,1236 1.108,1237 1.912,1238 1.7,1239 1.649,1240 1.822,1241 1.877,1242 0.813,1243 1.869,1244 1.3,1245 1.262,1246 1.553,1247 1.604,1248 0.768,1249 1.575,1250 1.093,1251 1.044,1252 1.237,1253 1.331,1254 0.263,1255 1.296,1256 0.886,1257 0.821,1258 1.181,1259 1.117,1260 0.218,1261 1.109,1262 0.755,1263 0.707,1264 1.085,1265 1.062,1266 0.207,1267 1.107,1268 0.677,1269 0.612,1270 0.962,1271 0.912,1273 0.918,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.573,1290 1.728,1292 5.326,1300 24.896,1301 63.134,1302 138.521,1303 169.766,1304 181.376,1305 184.131,1306 184.131,1307 40.542,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.304,1332 6.888,1333 10.271,1334 6.773,1335 5.657,1336 10.771,1337 6.997,1338 8.845,1339 0.316,1340 0.165,1341 8.845,1342 4.617,1343 6.58,1344 0.199,1345 0.088,1346 6.58,1347 2.913,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.843,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.139,1358 0.411,1359 68.234,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 113.858,1366 348.612,1367 458.71,1368 324,1369 112,1370 323.097,1371 122.81,1372 323.345,1373 455.84,1374 302,1375 6.242} {0 CHEMBL33731,1 1.62,2 9.556,3 1.222,4 1.494,5 66.086,6 7.697,7 0.579,8 3.572,9 3.675,10 3.151,11 3.048,12 4.774,13 3.057,14 4.058,15 4.214,16 3.425,17 3.374,18 5.328,19 3.358,20 4.24,21 4.445,22 3.294,23 3.405,24 5.317,25 3.337,26 4.218,27 4.437,28 3.129,29 3.287,30 5.322,31 3.203,32 4.079,33 4.32,34 2.936,35 3.146,36 5.073,37 3.035,38 3.942,39 4.195,40 2.88,41 2.965,42 5.018,43 2.858,44 3.663,45 3.9,46 2.751,47 2.869,48 4.604,49 2.793,50 3.639,51 3.828,52 2.773,53 2.883,54 4.805,55 2.823,56 0.07,57 0.45,58 6.211,59 2.806,60 9.597,61 3.456,62 0.299,63 0.68,64 11.623,65 4.268,66 36.423,67 5.479,68 0.287,69 0.722,70 15.438,71 5.502,72 28.723,73 7.266,74 0.392,75 0.666,76 15.923,77 5.171,78 40.547,79 6.864,80 0.246,81 0.585,82 13.856,83 4.732,84 35.286,85 6.57,86 0.424,87 0.498,88 12.633,89 3.919,90 37.284,91 5.746,92 0.152,93 0.422,94 8.82,95 3.015,96 15.883,97 4.284,98 0.168,99 0.417,100 8.13,101 2.864,102 24.715,103 3.781,104 6,105 24,106 0.305,107 0.688,108 0.837,109 0.86,110 0.86,111 0.86,112 2.957,113 0.896,114 -2.82,115 -2.83,116 -2.74,118 40.6,120 1,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 5,175 1,177 1,180 4,181 2,186 4,191 2,194 2,195 2,197 1,198 4,203 2,206 2,211 1,218 2,221 2,222 2,225 1,229 1,234 2,243 1,247 4,252 1,259 2,260 1,270 374,271 12.19,272 12.19,273 12.19,274 12.19,275 12.19,276 10.701,277 12.413,278 7.526,279 12.517,280 9.384,281 9.384,282 9.384,283 9.384,284 9.384,285 7.197,286 11.67,287 3.585,288 9.896,289 3.38,290 1.349,291 0.563,292 0.438,293 0.438,294 0.438,295 3.616,299 1,300 1,301 358,302 2.915,305 58.128,306 64.825,313 1.667,314 18.729,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 40,326 172,327 4.165,328 3.576,329 5.929,330 3.777,331 2.785,332 3.756,333 1.437,334 8.227,335 2.758,336 3.92,337 2.873,338 5.354,339 3.459,340 2.544,341 3.479,342 0.86,343 7,344 2.328,345 3.698,346 2.642,347 5.297,348 3.312,349 2.367,350 3.037,352 6.786,353 2.221,354 2.829,355 2.047,356 3.825,357 2.534,358 1.578,359 1.862,361 3.31,362 1.499,363 2.725,364 1.647,365 3.652,366 2.262,367 1.287,368 1.762,370 2.927,371 1.236,372 2.5,373 1.299,374 3.414,375 2.014,376 1.079,377 1.5,379 2.363,380 1.001,381 2.37,382 1,383 3.306,384 2,385 1,386 1.339,388 2.275,389 1,390 2.118,391 0.633,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.553,400 0.618,401 2.758,402 1.29,403 0.375,404 0.427,406 0.844,407 0.34,408 0.963,409 0.439,410 2.146,411 0.619,412 -0.336,413 -0.4,415 -0.774,416 -0.315,417 0.5,418 -0.077,419 2,420 0.113,421 -0.839,422 -0.978,424 -1.937,425 -0.78,426 0.468,427 -0.633,428 1.795,430 -1,431 -1.354,433 -2,434 -0.972,435 0.35,436 -1,437 1.277,438 -0.018,439 -1,440 -1.5,442 -2.998,443 -1,444 -0.081,445 -1.074,446 1,447 -0.433,448 -1.365,449 -1.61,451 -3,452 -1.269,453 -0.118,454 -1.491,455 1,456 -0.698,457 -1.618,458 -1.905,460 -4.372,461 -1.472,462 8.3,463 0.461,464 0.332,465 0.018,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 10.516,473 0.584,474 19.9,475 0.622,476 14.833,477 0.824,478 4.966,479 0.276,480 3.788,481 0.21,482 0.08,484 0.229,487 0.853,488 1.453,489 0.766,490 1.188,491 0.728,492 0.996,493 0.876,494 1.022,495 0.958,496 1.008,497 0.465,498 0.987,499 1.024,500 1.03,501 1.039,502 1.103,503 0.711,504 1.08,505 1.187,506 0.901,507 1.154,508 1.01,509 1.09,510 1.068,511 0.882,512 1.056,513 1.007,514 1.128,515 0.946,516 1.107,517 0.481,518 0.835,519 0.804,520 0.87,521 0.29,522 0.907,523 0.716,524 0.95,525 0.807,526 0.861,527 0.516,528 0.851,529 1.073,530 1.102,531 1.109,532 1.032,533 1.376,534 1.071,535 3,536 0.071,537 1.556,538 0.597,539 0.467,540 0.295,541 0.198,542 0.128,543 0.058,544 0.061,545 3256,546 10691,547 2.026,548 43.8,550 8,551 1,552 2,553 1,556 2,558 1.574,559 1.929,560 3.247,561 -0.225,563 1,565 1,567 51.836,568 1.62,569 3.651,570 4.438,571 4.563,572 4.563,573 4.563,574 2.711,575 2.975,576 4.142,577 3.428,578 524.479,579 6.969,580 5317.7,582 1,585 160,586 1.224,587 4.116,588 0.158,589 0.012,590 0.065,591 0.03,592 0.029,593 0.023,594 0.016,595 0.011,596 0.005,597 0.007,598 0.355,599 0.5,600 1,601 0.816,602 79.577,603 -0.085,604 -0.275,605 0.029,606 -0.11,607 -0.076,608 -0.034,609 0.027,610 0.103,611 -0.076,612 -0.017,613 0.194,614 -0.054,615 -0.119,616 -0.07,617 -0.092,618 -0.108,619 0.002,620 -0.092,621 -0.134,622 0.016,623 -0.158,624 -0.049,625 -0.108,626 -0.1,627 -0.049,628 -0.162,629 -0.027,630 -0.148,631 -0.09,632 -0.093,633 0.421,634 0.049,635 0.218,636 0.079,637 0.271,638 0.097,639 -0.029,640 0.025,641 0.138,642 0.126,643 0.027,644 0.165,645 -0.194,646 -0.08,647 -0.191,648 -0.04,649 -0.24,650 -0.104,651 2.596,652 3.654,653 0.611,654 14.951,655 1.015,656 1.129,657 1.587,658 2.518,659 0.654,660 2.996,661 3.219,662 3.367,663 3.466,664 3.466,665 3.434,666 3.367,667 3.219,668 3.219,669 3.296,670 5.883,671 0.636,672 246.29,673 2.996,674 4.466,675 5.252,676 6.061,677 6.862,678 7.673,679 8.477,680 9.289,681 10.095,682 10.907,683 6.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,722 1,724 32,726 12,727 1,728 19,730 33,731 13,733 9,734 2,735 4,736 1,739 2,740 2,751 1,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,830 1,832 2,840 18,845 1,846 3,848 1,862 9.4,864 1,865 1,867 1,869 9.333,870 5.517,871 4.111,872 1.813,874 1.899,875 1.321,876 0.916,877 4.367,878 7.807,879 3.277,880 3.778,881 4.243,882 4.677,883 4.894,884 4.924,885 4.945,886 4.644,887 4.822,888 5.183,889 1,890 20,891 6.602,893 2.685,894 8,895 12.328,897 9.478,899 2.5,900 45,901 0.001,904 153.024,905 83.19,906 18.685,908 78.828,911 83.19,912 231.852,913 18.685,915 9.233,916 46.952,917 117.684,918 30.375,919 11.771,920 117.711,922 153.024,923 101.875,924 78.828,927 129.482,928 102.37,931 28.798,932 56.291,933 16.786,935 153.024,936 97.513,937 83.19,940 153.024,941 18.571,942 66.518,944 95.614,945 153.024,946 97.513,947 83.19,949 0.561,950 0.31,951 0.15,952 0.067,953 10,954 4,955 0.182,956 6,958 1,959 3.243,960 112.274,962 11,963 71.059,968 12.647,969 6.215,970 3.875,972 95.614,973 11.817,974 3.952,978 0.95,979 1.983,980 42.683,981 333.727,982 25.5,987 10.654,991 -0.929,994 32.487,995 36.116,996 0.324,997 0.73,998 0.888,999 0.913,1000 0.913,1001 0.913,1002 4.44,1003 0.618,1004 5.176,1005 2.275,1006 3.892,1007 4.46,1008 1.888,1009 5.838,1010 3.795,1011 5.595,1012 0.375,1013 6.645,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.088,1020 6.849,1021 -0.336,1022 8.212,1023 0.844,1024 5.342,1025 6.524,1026 2.362,1027 9.436,1028 5.162,1029 8.14,1030 -0.839,1031 9.838,1032 -0.774,1033 5.525,1034 6.915,1036 10.897,1037 5.317,1038 9.462,1039 -1,1040 11.501,1041 -1.937,1042 7.045,1043 8.843,1044 2.965,1045 13.314,1046 6.802,1047 10.804,1048 -1,1049 13.19,1050 -2,1051 7.623,1052 9.633,1054 15.109,1055 7.363,1056 12.162,1057 -1.365,1058 14.895,1059 -2.998,1060 8.874,1061 11.282,1062 3.635,1063 17.321,1064 8.59,1065 2.785,1066 -1.618,1067 16.612,1068 -3,1069 9.65,1070 12.28,1072 19.267,1073 9.357,1074 2.544,1075 8.227,1076 18.337,1077 -4.372,1078 10.773,1079 13.785,1080 4.335,1081 21.399,1082 10.463,1083 2.367,1084 7,1085 20.069,1086 3.756,1087 11.652,1088 14.901,1090 23.416,1091 11.338,1092 1.578,1093 6.786,1094 21.805,1095 3.479,1096 12.713,1097 16.327,1098 5.05,1099 25.519,1100 12.389,1101 1.287,1102 3.31,1103 23.546,1104 3.037,1105 13.648,1106 17.513,1108 27.574,1109 13.323,1110 1.079,1111 2.927,1112 25.29,1113 1.862,1114 14.679,1115 18.894,1116 5.77,1117 29.668,1118 14.349,1119 1,1120 2.363,1121 27.037,1122 1.762,1123 15.646,1124 20.125,1126 31.742,1127 15.316,1128 3251,1129 5985,1130 12.712,1131 20.943,1132 27.598,1133 27.886,1134 27.598,1135 27.257,1136 27.265,1137 36.176,1138 4.593,1139 70.207,1140 25.918,1141 5.063,1142 5.576,1143 5.644,1144 4.849,1145 4.785,1146 6.756,1147 2.873,1148 13.75,1149 4.758,1150 7.49,1151 1.453,1152 1.468,1153 1.453,1154 1.435,1155 1.435,1156 1.904,1157 0.242,1158 3.695,1159 1.364,1160 3.956,1161 4.01,1162 3.894,1163 3.85,1164 7.475,1165 3.854,1166 3.898,1167 3.929,1168 3.842,1169 3.713,1170 6.351,1171 3.739,1172 3.505,1173 3.559,1174 3.382,1175 3.32,1176 4.956,1177 3.32,1178 3.266,1179 3.257,1180 3.191,1181 3.01,1182 4.824,1183 3.056,1184 2.874,1185 2.946,1186 2.71,1187 2.735,1188 4.294,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.584,1194 3.815,1195 2.597,1196 2.544,1197 2.603,1198 2.387,1199 2.303,1200 3.674,1201 2.319,1202 2.464,1203 2.558,1204 2.256,1205 2.243,1206 3.379,1207 2.243,1208 0.219,1209 0.188,1210 0.312,1211 0.199,1212 0.147,1213 4.165,1214 0.198,1215 3.576,1216 0.076,1217 5.929,1218 0.433,1219 3.777,1220 0.145,1221 2.785,1222 3.756,1223 1.437,1224 8.227,1225 2.758,1226 1.893,1227 1.876,1228 1.998,1229 2.002,1230 1.219,1231 1.999,1232 1.686,1233 1.62,1234 1.899,1235 1.897,1236 1.062,1237 1.899,1238 1.344,1239 1.288,1240 1.553,1241 1.568,1242 0.681,1243 1.563,1244 1.251,1245 1.189,1246 1.436,1247 1.521,1248 0.412,1249 1.501,1250 1.08,1251 1.07,1252 1.199,1253 1.39,1254 0.218,1255 1.326,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.211,1261 1.107,1262 0.685,1263 0.607,1264 1.077,1265 1.016,1266 0.129,1267 1.039,1268 0.43,1269 0.378,1270 0.762,1271 0.745,1273 0.762,1274 3.664,1276 4.905,1277 2.398,1278 6.319,1279 4.443,1280 7.809,1281 6.26,1282 9.34,1289 8.746,1290 2.314,1292 5.512,1300 20.348,1301 51.836,1302 116.839,1303 142,1304 146,1305 146,1306 146,1307 27.213,1308 5.908,1309 64.35,1310 64.35,1311 11,1312 11.495,1313 3.7,1314 2.907,1315 31.451,1316 64,1317 46,1318 0.239,1319 128.697,1320 219.47,1321 305.781,1322 2498,1324 12.795,1325 0.711,1326 0.546,1327 12.795,1328 9.821,1329 8.754,1330 0.461,1331 0.299,1332 5.566,1333 8.299,1334 5.483,1335 4.551,1336 8.754,1337 5.674,1338 7.46,1339 0.311,1340 0.16,1341 7.46,1342 3.832,1343 5.784,1344 0.207,1345 0.089,1346 5.784,1347 2.49,1348 4.309,1349 0.139,1350 0.05,1351 4.309,1352 1.55,1353 2.798,1354 0.09,1355 0.028,1356 2.798,1357 0.88,1358 0.39,1359 55.699,1360 0.28,1361 18.897,1362 0.613,1363 86,1364 308.911,1365 97.496,1366 290.285,1367 381.5,1368 270,1369 95,1370 266.051,1371 105.669,1372 266.493,1373 380.28,1374 249,1375 7.569} {0 CHEMBL337331,1 1.718,2 11.821,3 4.04,4 16.321,5 108.948,6 8.019,7 0.414,8 4.036,9 4.136,10 3.788,11 3.621,12 5.104,13 3.556,14 4.588,15 4.745,16 4.043,17 3.997,18 5.898,19 3.896,20 4.901,21 5.119,22 4.035,23 4.14,24 5.926,25 3.987,26 4.968,27 5.211,28 3.902,29 4.082,30 5.988,31 3.927,32 4.921,33 5.167,34 3.948,35 4.059,36 5.878,37 3.902,38 4.932,39 5.177,40 4.012,41 4.081,42 5.959,43 3.926,44 4.938,45 5.186,46 3.92,47 4.062,48 5.938,49 3.908,50 4.86,51 5.076,52 3.955,53 4.016,54 5.996,55 3.887,56 0.115,57 0.739,58 13.262,59 5.509,60 23.459,61 6.605,62 0.432,63 1.164,64 22.371,65 9.309,66 82.73,67 11.679,68 0.44,69 1.448,70 38.841,71 13.278,72 82.45,73 16.391,74 0.614,75 1.48,76 42.297,77 13.263,78 111.532,79 16.682,80 0.571,81 1.437,82 39.266,83 12.377,84 104.457,85 15.816,86 0.644,87 1.466,88 40.971,89 12.898,90 107.759,91 16.602,92 0.584,93 1.459,94 38.822,95 12.637,96 101.476,97 16.13,98 0.575,99 1.345,100 38.449,101 11.823,102 101.321,103 14.315,104 31,105 38,106 0.287,107 0.604,108 0.777,109 0.883,110 0.883,111 0.883,112 3.374,113 1.147,114 -3.74,115 -3.71,116 -3.53,118 37.7,120 6,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 3,175 3,177 2,180 13,181 1,186 7,191 4,194 12,195 1,198 8,203 5,206 7,207 1,210 5,215 3,218 8,219 1,222 8,227 4,229 7,230 2,234 7,237 1,239 4,242 8,243 1,247 6,252 1,253 1,255 10,256 1,258 2,259 5,260 1,262 1,263 1,264 1,267 9,268 1,270 1510,271 18.352,272 18.352,273 18.352,274 18.352,275 18.352,276 16.355,277 12.838,278 11.246,279 18.729,280 14.328,281 14.328,282 14.328,283 14.328,284 14.328,285 11.367,286 5.318,287 5.386,288 14.997,289 4.01,290 2.115,291 1.085,292 0.453,293 0.453,294 0.453,295 4.038,297 1,299 1,300 1,301 674,302 4.637,306 231.778,313 1.633,314 40.389,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.333,326 331,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 3.935,337 3.596,338 5.578,339 3.662,340 2.666,341 3.456,343 7.689,344 2.654,345 3.835,346 2.898,347 5.15,348 3.315,349 2.401,350 3.393,352 6.323,353 2.255,354 3.552,355 2.828,356 5.04,357 3.266,358 2.271,359 2.711,361 6.113,362 2.187,363 3.396,364 2.288,365 4.729,366 3.197,367 2.199,368 2.46,370 5.176,371 2.147,372 3.081,373 1.899,374 4.656,375 2.59,376 1.655,377 2.287,379 4.757,380 1.484,381 2.86,382 1.598,383 3.613,384 2.445,385 1.466,386 1.993,388 3.087,389 1.429,390 2.5,391 1.508,392 3.583,393 2.365,394 1.383,395 1.5,397 2.923,398 1.345,399 2.5,400 1.267,401 3.414,402 2.006,403 1.038,404 1.5,406 2.28,407 1,408 2.483,409 1,410 3.378,411 2,412 1,413 1.465,415 2.275,416 0.998,417 2.153,418 1,419 3.247,420 1.956,421 1,422 1.114,424 2.136,425 0.953,426 1.46,427 0.8,428 2.921,429 1.35,430 0.351,431 0.371,433 0.768,434 0.348,435 1.123,436 0.598,437 2.731,438 0.921,439 -0.046,440 -0.051,442 -0.115,443 -0.043,444 1.112,445 0.333,446 2.598,447 0.608,448 -0.228,449 -0.285,451 -0.506,452 -0.156,453 1,454 0.113,455 2.136,456 0.546,457 -0.43,458 -0.474,460 -1.008,461 -0.419,462 13.681,463 0.489,464 0.721,465 0.026,466 33,467 1.179,468 16.5,469 0.589,470 16.5,471 0.589,472 25.967,473 0.927,474 31.919,475 0.602,476 24.412,477 0.872,478 6.045,479 0.216,480 7.32,481 0.261,482 0.15,483 0.061,484 0.183,487 0.587,488 1.323,489 0.754,490 1.197,491 0.672,492 1.004,493 0.476,494 1.187,495 0.81,496 1.063,497 0.435,498 1.103,499 0.857,500 1.117,501 1.048,502 1.12,503 0.807,504 1.076,505 1.032,506 0.992,507 0.993,508 0.992,509 1.027,510 0.995,511 0.94,512 0.967,513 0.713,514 0.838,515 0.997,516 0.96,517 0.66,518 1.032,519 0.861,520 1.04,521 0.681,522 1.003,523 0.946,524 0.909,525 0.848,526 0.887,527 0.984,528 0.941,529 1.22,530 1.028,531 1.088,532 1.065,533 1.224,534 1.002,535 6.5,536 0.182,537 2.889,538 1.563,539 0.893,540 0.667,541 0.467,542 0.38,543 0.358,544 0.271,545 9705,546 33800,547 1.947,548 47.2,549 9,550 8,552 2,553 2,554 2,555 2,558 1.713,559 1.816,560 3.519,561 0.282,563 1,567 91.045,568 1.718,569 3.613,570 4.643,571 5.275,572 5.275,573 5.275,574 2.911,575 4.093,576 4.777,577 3.705,578 1400.38,579 8.324,580 19919,582 1,584 1,585 303.58,586 1.496,587 4.724,588 0.224,589 0.006,590 0.076,591 0.043,592 0.028,593 0.022,594 0.014,595 0.012,596 0.011,597 0.008,598 0.444,599 0.33,600 0.88,601 1.474,602 143.364,603 0.037,604 -0.069,605 0.132,606 -0.031,607 -0.091,608 0.03,609 0.255,610 -0.053,611 0.006,612 -0.052,613 0.282,614 -0.11,615 -0.067,616 -0.107,617 -0.064,618 -0.072,619 -0.018,620 -0.061,621 -0.12,622 -0.027,623 -0.07,624 -0.019,625 -0.076,626 -0.014,627 -0.094,628 0.007,629 0.066,630 0.073,631 -0.114,632 0.008,633 0.104,634 -0.045,635 0.057,636 -0.055,637 0.054,638 -0.005,639 -0.079,640 0.067,641 0.008,642 0.053,643 -0.098,644 0.032,645 -0.166,646 -0.029,647 -0.094,648 -0.038,649 -0.137,650 -0.028,651 4.497,652 5.389,653 0.429,654 28.781,655 1.01,656 1.126,657 2.515,658 6.323,659 0.669,660 3.401,661 3.664,662 3.761,663 3.871,664 4.007,665 3.989,666 3.932,667 3.912,668 3.932,669 3.951,670 7.235,671 0.627,672 424.99,673 3.401,674 4.905,675 5.687,676 6.521,677 7.323,678 8.163,679 8.974,680 9.818,681 10.636,682 11.483,683 3.8,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 53,726 15,727 1,728 29,730 54,731 20,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 7,847 1,850 1,861 1,862 7.5,864 1,865 3,869 15.417,870 8.96,871 6.292,872 3.219,874 1.721,875 1.262,876 0.924,877 9.066,878 8.283,879 3.664,880 4.19,881 4.522,882 4.913,883 5.344,884 5.317,885 5.273,886 5.069,887 5.174,888 5.35,889 0.875,890 36,891 10.598,893 4.615,894 8.072,895 19.626,897 15.922,899 2.572,900 72.028,903 1,904 270.735,905 107.219,906 33.191,907 39.149,908 112.141,910 5.807,911 101.412,912 422.025,913 33.191,915 17.313,916 79.07,917 153.379,918 26.332,920 247.193,921 39.149,922 270.735,923 134.603,924 112.141,925 44.956,927 247.193,928 135.683,931 51.813,932 66.004,933 61.742,935 270.735,936 145.332,937 146.368,939 5.807,940 270.735,941 26.46,942 74.952,943 16.405,944 168.075,945 270.735,946 145.332,947 146.368,949 0.569,950 0.297,951 0.141,952 0.076,953 14,954 7,955 0.222,956 12,958 1,959 4.017,960 212.788,962 12,963 128.606,967 1,968 22.509,969 11.278,970 8.421,972 145.332,973 13.434,974 4.124,978 1.755,980 59.088,981 562.435,982 38,986 -3.581,987 35.458,991 -0.792,994 53.516,995 59.681,996 0.3,997 0.631,998 0.811,999 0.921,1000 0.921,1001 0.921,1002 4.868,1003 1.383,1004 5.673,1005 3.087,1006 4.344,1007 4.875,1008 2.258,1009 6.425,1010 4.253,1011 6.065,1012 1.038,1013 7.207,1014 2.923,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.381,1021 1,1022 8.866,1023 2.28,1024 5.932,1025 7.09,1026 3.628,1027 10.548,1028 5.725,1029 8.744,1030 1,1031 10.611,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.64,1037 6.059,1038 10.15,1039 0.351,1040 12.418,1041 2.136,1042 7.878,1043 9.727,1044 5.201,1045 15.256,1046 7.505,1047 11.59,1048 -0.046,1049 14.272,1050 0.768,1051 8.766,1052 10.972,1053 5.889,1054 17.649,1055 8.224,1056 13.057,1057 -0.228,1058 16.161,1059 -0.115,1060 10.042,1061 12.596,1062 6.849,1063 20.191,1064 9.463,1065 3.374,1066 -0.43,1067 18.076,1068 -0.506,1069 11.111,1070 14.008,1071 7.625,1072 22.672,1073 10.376,1074 2.666,1075 12.404,1076 20.01,1077 -1.008,1078 12.332,1079 15.579,1080 8.526,1081 25.196,1082 11.529,1083 2.401,1084 7.689,1085 21.959,1086 4.697,1087 13.48,1088 17.065,1089 9.342,1090 27.702,1091 12.54,1092 2.271,1093 6.323,1094 23.918,1095 3.456,1096 14.688,1097 18.618,1098 10.216,1099 30.222,1100 13.66,1101 2.199,1102 6.113,1103 25.884,1104 3.393,1105 15.872,1106 20.137,1107 11.051,1108 32.736,1109 14.72,1110 1.655,1111 5.176,1112 27.856,1113 2.711,1114 17.08,1115 21.684,1116 11.912,1117 35.254,1118 15.829,1119 1.466,1120 4.757,1121 29.833,1122 2.46,1123 18.28,1124 23.218,1125 12.755,1126 37.771,1127 16.915,1128 9797,1129 18474,1130 18.663,1131 35.472,1132 41.748,1133 43.391,1134 42.53,1135 41.877,1136 41.61,1137 53.897,1138 4.682,1139 111.861,1140 39.728,1141 5.8,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 15.8,1151 1.44,1152 1.496,1153 1.467,1154 1.444,1155 1.435,1156 1.859,1157 0.161,1158 3.857,1159 1.37,1160 4.077,1161 4.061,1162 4.735,1163 4.064,1164 7.717,1165 3.976,1166 3.92,1167 3.957,1168 3.925,1169 3.831,1170 7.474,1171 3.826,1172 3.752,1173 3.802,1174 3.845,1175 3.632,1176 6.999,1177 3.621,1178 3.67,1179 3.696,1180 3.627,1181 3.574,1182 6.351,1183 3.518,1184 3.547,1185 3.558,1186 3.468,1187 3.408,1188 4.93,1189 3.388,1190 3.268,1191 3.303,1192 3.18,1193 3.053,1194 4.893,1195 3.051,1196 3.099,1197 3.162,1198 3.11,1199 2.932,1200 4.277,1201 2.921,1202 2.854,1203 2.925,1204 2.936,1205 2.735,1206 4.21,1207 2.715,1208 0.167,1209 0.161,1210 0.251,1211 0.148,1212 0.116,1213 4.844,1214 0.162,1215 4.683,1216 0.081,1217 7.293,1218 0.428,1219 4.291,1220 0.106,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.957,1227 1.966,1228 2.081,1229 2.046,1230 1.456,1231 2.078,1232 1.902,1233 1.864,1234 1.953,1235 1.998,1236 1.209,1237 2.026,1238 1.746,1239 1.696,1240 1.935,1241 1.901,1242 1.152,1243 1.915,1244 1.603,1245 1.565,1246 1.82,1247 1.792,1248 0.993,1249 1.808,1250 1.437,1251 1.442,1252 1.573,1253 1.624,1254 0.821,1255 1.646,1256 1.194,1257 1.156,1258 1.404,1259 1.434,1260 0.609,1261 1.448,1262 1.085,1263 1.026,1264 1.181,1265 1.29,1266 0.49,1267 1.328,1268 0.886,1269 0.821,1270 1.15,1271 1.092,1272 0.271,1273 1.107,1274 4.078,1276 5.352,1278 6.801,1280 8.33,1282 9.902,1285 5.808,1289 8.777,1290 4.164,1291 2.639,1294 0.242,1300 33.238,1301 91.045,1302 191.467,1303 246.07,1304 279.58,1305 279.58,1306 279.58,1307 92.524,1308 6.562,1309 96.36,1310 104.74,1311 12,1312 12.05,1313 4,1314 3.322,1315 61.73,1316 117,1317 120,1318 0.241,1319 216.376,1320 380.44,1321 519.718,1322 5511,1323 1.9,1324 20.408,1325 0.729,1326 0.612,1327 21.158,1328 17.124,1329 13.365,1330 0.461,1331 0.382,1332 9.293,1333 11.868,1334 8.951,1335 7.437,1336 14.475,1337 11.087,1338 12.122,1339 0.319,1340 0.235,1341 13.853,1342 8.915,1343 8.59,1344 0.205,1345 0.148,1346 9.986,1347 6.198,1348 6.352,1349 0.135,1350 0.089,1351 7.374,1352 4.178,1353 4.764,1354 0.088,1355 0.057,1356 5.723,1357 3.064,1358 0.385,1359 94.658,1360 0.231,1361 27.27,1362 0.644,1363 134,1364 442.398,1365 197.911,1366 474.536,1367 605.51,1368 432,1369 147,1370 366.182,1371 209.974,1372 415.852,1373 590.48,1374 388,1375 7.854} {0 CHEMBL33747,1 1.585,2 8.632,3 1.76,4 3.096,5 70.737,6 7.438,7 0.55,8 3.651,9 3.757,10 3.212,11 3.113,12 4.79,13 3.117,14 4.164,15 4.333,16 3.475,17 3.415,18 5.305,19 3.402,20 4.294,21 4.497,22 3.417,23 3.444,24 5.335,25 3.4,26 4.244,27 4.411,28 3.425,29 3.376,30 5.501,31 3.348,32 4.235,33 4.424,34 3.272,35 3.342,36 5.352,37 3.29,38 4.179,39 4.388,40 3.137,41 3.332,42 5.168,43 3.243,44 4.168,45 4.4,46 3.081,47 3.315,48 5.14,49 3.201,50 4.057,51 4.315,52 2.97,53 3.179,54 5.036,55 3.056,56 0.037,57 0.486,58 7.108,59 3.123,60 5.682,61 3.994,62 0.34,63 0.721,64 13.963,65 4.666,66 26.835,67 6.126,68 0.332,69 0.74,70 16.811,71 5.672,72 25.65,73 7.496,74 0.441,75 0.69,76 15.722,77 5.314,78 44.589,79 6.79,80 0.371,81 0.68,82 15.957,83 5.198,84 42.745,85 6.708,86 0.29,87 0.675,88 14.986,89 5.113,90 31.543,91 6.88,92 0.353,93 0.674,94 15.073,95 5.056,96 28.745,97 7.134,98 0.136,99 0.611,100 13.255,101 4.656,102 19.11,103 6.892,104 8,105 25,106 0.293,107 0.63,108 0.817,109 0.881,110 0.891,111 0.891,112 3.009,113 0.923,114 -3.08,115 -3.08,116 -2.96,118 40,119 1,124 3,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 4,171 2,172 5,180 4,185 1,186 4,194 2,197 2,198 6,206 1,209 1,210 4,218 1,222 3,229 2,233 2,234 3,242 1,247 2,258 2,259 2,270 480,271 13.113,272 13.113,273 13.113,274 13.113,275 13.113,276 11.648,277 12.709,278 8.231,279 13.625,280 9.853,281 9.853,282 9.853,283 9.853,284 9.853,285 7.66,286 11.97,287 3.814,288 10.538,289 3.545,290 1.719,291 0.707,292 0.364,293 0.307,294 0.307,295 3.669,298 1,299 1,300 1,301 338,302 3.082,305 55.305,306 68.425,313 1.335,314 18.613,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42,326 164,327 4.333,328 3.69,329 6.446,330 3.959,331 2.983,332 3.937,333 1.674,334 9.924,335 2.906,336 3.92,337 2.906,338 5.354,339 3.454,340 2.541,341 3.478,342 0.86,343 6.999,344 2.318,345 3.453,346 2.632,347 5.073,348 3.056,349 2.115,350 2.68,352 5.827,353 1.974,354 2.948,355 1.907,356 3.989,357 2.534,358 1.588,359 2.115,361 3.489,362 1.494,363 2.698,364 1.801,365 3.619,366 2.29,367 1.341,368 1.76,370 2.893,371 1.267,372 2.609,373 1.43,374 3.556,375 2.21,376 1.271,377 1.626,379 2.793,380 1.183,381 2.15,382 1.314,383 3.159,384 1.821,385 0.891,386 1.09,388 1.949,389 0.82,390 2.118,391 1.098,392 3,393 1.76,394 0.779,395 0.939,397 1.372,398 0.754,399 2.059,400 0.618,401 2.886,402 1.554,403 0.618,404 0.927,406 1.329,407 0.577,408 1.207,409 0.333,410 2.492,411 0.896,412 -0.032,413 -0.038,415 -0.075,416 -0.03,417 0.731,418 0.161,419 2,420 0.405,421 -0.544,422 -0.602,424 -0.872,425 -0.506,426 0.635,427 -0.318,428 1.917,429 0.307,430 -0.686,431 -0.888,433 -1.538,434 -0.664,435 0.545,436 -0.724,437 1.606,438 0.099,439 -0.884,440 -1.26,442 -2.112,443 -0.877,444 0.021,445 -0.938,446 1.288,447 -0.359,448 -1.297,449 -1.583,451 -2.885,452 -1.22,453 -0.118,454 -1.171,455 1.177,456 -0.533,457 -1.516,458 -1.845,460 -3.455,461 -1.413,462 8.8,463 0.463,464 0.277,465 0.015,466 24.5,467 1.289,468 12,469 0.632,470 12.5,471 0.658,472 12.054,473 0.634,474 21.2,475 0.606,476 16.096,477 0.847,478 5.157,479 0.271,480 4.151,481 0.218,482 0.095,484 0.216,487 0.802,488 1.558,489 0.763,490 1.315,491 0.602,492 1.075,493 1.115,494 0.967,495 0.971,496 0.935,497 0.686,498 0.912,499 1.189,500 0.879,501 0.953,502 0.945,503 0.887,504 0.907,505 1.229,506 1.1,507 1.056,508 1.151,509 1.476,510 1.087,511 1.477,512 0.992,513 1.187,514 1.037,515 1.771,516 1.06,517 1.211,518 1.068,519 1.157,520 1.041,521 1.224,522 1.091,523 0.863,524 0.908,525 1.061,526 0.922,527 0.928,528 1.026,529 0.495,530 1.197,531 0.829,532 1.161,533 0.54,534 1.078,535 2.5,536 0.02,537 1.778,538 1.097,539 0.467,540 0.379,541 0.229,542 0.156,543 0.097,544 0.056,545 3291,546 9666,547 2.025,548 45.7,550 10,551 1,552 2,555 3,558 1.602,559 1.932,560 3.109,561 -0.724,563 1,564 1,565 1,567 55.467,568 1.585,569 3.41,570 4.422,571 4.765,572 4.822,573 4.822,574 2.55,575 3.827,576 4.218,577 3.262,578 557.739,579 7.18,580 5679.6,581 1,582 1,584 1,585 179.525,586 1.19,587 4.196,588 0.125,589 0.005,590 0.071,591 0.048,592 0.021,593 0.02,594 0.013,595 0.01,596 0.007,597 0.006,598 0.326,599 0.67,600 1,601 1.236,602 83.625,603 -0.027,604 -0.362,605 0.065,606 -0.213,607 -0.028,608 -0.082,609 -0.01,610 0.126,611 -0.023,612 0.043,613 0.063,614 0.019,615 -0.081,616 0.084,617 0.03,618 0.039,619 -0.026,620 0.059,621 0.099,622 -0.141,623 -0.064,624 -0.161,625 0.058,626 -0.146,627 -0.194,628 -0.045,629 -0.187,630 -0.065,631 -0.251,632 -0.119,633 -0.204,634 -0.11,635 -0.195,636 -0.048,637 -0.206,638 -0.115,639 -0.003,640 0.059,641 -0.103,642 0.055,643 -0.087,644 -0.04,645 0.079,646 -0.246,647 0.103,648 -0.172,649 0.135,650 -0.052,651 2.027,652 4.74,653 0.579,654 14.066,655 1.011,656 1.129,657 1.85,658 3.424,659 0.649,660 3.045,661 3.258,662 3.466,663 3.638,664 3.611,665 3.526,666 3.526,667 3.526,668 3.526,669 3.466,670 5.308,671 0.625,672 260.32,673 3.045,674 4.511,675 5.313,676 6.138,677 6.957,678 7.789,679 8.615,680 9.45,681 10.279,682 11.115,683 5.7,691 1,693 1,699 7,700 1,704 2,705 1,706 11,715 1,722 1,724 35,726 12,727 1,728 20,730 36,731 14,733 9,734 2,735 4,736 1,739 2,740 2,745 1,753 10,754 4,756 1,761 1,765 1,768 1,769 1,772 16,773 4,775 5,778 1,779 2,784 1,785 3,801 1,802 1,832 2,836 1,840 19,846 3,848 2,862 8.6,865 1,867 2,869 9.833,870 6.483,871 4.472,872 2.144,874 2.049,875 1.34,876 0.929,877 4.983,878 8.082,879 3.314,880 3.801,881 4.306,882 4.774,883 4.947,884 4.896,885 5.069,886 5.171,887 5.426,888 5.655,889 0.833,890 23,891 6.992,893 2.795,894 7.842,895 13.162,897 9.927,899 2.342,900 44.5,901 0.001,904 188.338,905 100.354,906 18.685,908 47.145,911 100.354,912 235.482,913 18.685,914 8.825,915 11.29,916 46.952,917 81.283,918 41.375,919 11.771,920 153.024,922 188.338,923 119.039,924 47.145,927 153.024,928 82.458,931 39.681,932 62.573,933 16.786,935 188.338,936 65.829,937 100.354,940 188.338,941 26.911,942 75.343,944 63.93,945 188.338,946 65.829,947 100.354,949 0.547,950 0.319,951 0.177,952 0.078,953 10,954 4,955 0.194,956 7,958 1,959 3.239,960 125.59,962 11,963 80.711,968 13.622,969 6.95,970 3.828,972 63.93,973 12.378,974 3.951,978 0.996,979 1.91,981 354.521,982 26.5,987 11.74,991 -0.36,994 35.371,995 39.531,996 0.309,997 0.665,998 0.862,999 0.929,1000 0.94,1001 0.94,1002 4.474,1003 0.779,1004 5.231,1005 1.949,1006 3.932,1007 4.483,1008 2.09,1009 5.943,1010 3.815,1011 5.621,1012 0.618,1013 6.723,1014 1.372,1015 3.219,1016 3.98,1018 6.698,1019 3.088,1020 6.877,1021 -0.032,1022 8.325,1023 1.329,1024 5.407,1025 6.557,1026 2.88,1027 9.79,1028 5.195,1029 8.177,1030 -0.544,1031 10,1032 -0.075,1033 5.638,1034 6.999,1036 11.48,1037 5.42,1038 9.515,1039 -0.686,1040 11.723,1041 -0.872,1042 7.183,1043 8.923,1044 3.826,1045 14.041,1046 6.908,1047 10.88,1048 -0.884,1049 13.479,1050 -1.538,1051 7.86,1052 9.803,1054 16.089,1055 7.58,1056 12.264,1057 -1.297,1058 15.26,1059 -2.112,1060 9.133,1061 11.443,1062 4.83,1063 18.481,1064 8.813,1065 2.983,1066 -1.516,1067 17.058,1068 -2.885,1069 10.022,1070 12.542,1072 20.673,1073 9.694,1074 2.541,1075 9.924,1076 18.869,1077 -3.455,1078 11.181,1079 14.047,1080 5.852,1081 23.005,1082 10.824,1083 2.115,1084 6.999,1085 20.69,1086 3.937,1087 12.171,1088 15.261,1090 25.255,1091 11.802,1092 1.588,1093 5.827,1094 22.519,1095 3.478,1096 13.283,1097 16.697,1098 6.88,1099 27.565,1100 12.891,1101 1.341,1102 3.489,1103 24.354,1104 2.68,1105 14.322,1106 17.974,1108 29.841,1109 13.914,1110 1.271,1111 2.893,1112 26.195,1113 2.115,1114 15.416,1115 19.375,1116 7.91,1117 32.141,1118 14.987,1119 0.891,1120 2.793,1121 28.039,1122 1.76,1123 16.479,1124 20.688,1126 34.428,1127 16.032,1128 3334,1129 5809,1130 13.405,1131 22.705,1132 28.725,1133 29.218,1134 29.166,1135 28.266,1136 28.255,1137 37.103,1138 5.069,1139 73.149,1140 26.582,1141 5.22,1142 5.69,1143 6.216,1144 5.049,1145 4.983,1146 6.937,1147 3.349,1148 16.547,1149 4.906,1150 7.514,1151 1.436,1152 1.461,1153 1.458,1154 1.413,1155 1.413,1156 1.855,1157 0.253,1158 3.657,1159 1.329,1160 3.963,1161 4.01,1162 3.908,1163 3.853,1164 7.433,1165 3.86,1166 3.887,1167 3.923,1168 3.832,1169 3.696,1170 4.962,1171 3.725,1172 3.523,1173 3.575,1174 3.388,1175 3.294,1176 4.816,1177 3.299,1178 3.348,1179 3.409,1180 3.198,1181 3.141,1182 4.448,1183 3.143,1184 3.154,1185 3.173,1186 3.023,1187 2.956,1188 4.327,1189 2.971,1190 2.849,1191 2.906,1192 2.713,1193 2.707,1194 3.69,1195 2.699,1196 2.62,1197 2.687,1198 2.465,1199 2.345,1200 3.674,1201 2.367,1202 2.491,1203 2.589,1204 2.279,1205 2.283,1206 3.527,1207 2.28,1208 0.217,1209 0.185,1210 0.322,1211 0.198,1212 0.149,1213 4.333,1214 0.197,1215 3.69,1216 0.084,1217 6.446,1218 0.496,1219 3.959,1220 0.145,1221 2.983,1222 3.937,1223 1.674,1224 9.924,1225 2.906,1226 1.894,1227 1.878,1228 1.996,1229 2.006,1230 1.116,1231 2,1232 1.627,1233 1.559,1234 1.826,1235 1.862,1236 1.042,1237 1.854,1238 1.481,1239 1.418,1240 1.798,1241 1.734,1242 0.934,1243 1.753,1244 1.309,1245 1.244,1246 1.5,1247 1.527,1248 0.528,1249 1.52,1250 1.105,1251 1.058,1252 1.333,1253 1.384,1254 0.317,1255 1.377,1256 1.06,1257 1.023,1258 1.222,1259 1.316,1260 0.242,1261 1.278,1262 0.821,1263 0.76,1264 1.094,1265 1.01,1266 0.151,1267 1.045,1268 0.517,1269 0.45,1270 0.969,1271 0.851,1272 0.097,1273 0.891,1274 3.714,1276 4.949,1277 2.398,1278 6.375,1279 4.443,1280 7.895,1281 6.26,1282 9.468,1284 1.778,1290 1.492,1292 10.615,1300 21.875,1301 55.467,1302 119.344,1303 154.77,1304 166.77,1305 168.77,1306 168.77,1307 28.467,1308 6.033,1309 53.35,1310 53.35,1311 11,1312 11.685,1313 3.7,1314 2.907,1315 33.68,1316 58,1317 57,1318 0.277,1319 138.289,1320 236.77,1321 329.186,1322 2870,1324 13.502,1325 0.711,1326 0.567,1327 13.502,1328 10.782,1329 9.309,1330 0.465,1331 0.308,1332 6.03,1333 8.786,1334 5.906,1335 4.915,1336 9.309,1337 6.157,1338 7.556,1339 0.302,1340 0.155,1341 7.556,1342 3.866,1343 6.105,1344 0.197,1345 0.082,1346 6.105,1347 2.549,1348 4.981,1349 0.135,1350 0.045,1351 4.981,1352 1.65,1353 3.169,1354 0.088,1355 0.026,1356 3.169,1357 0.919,1358 0.433,1359 59.359,1360 0.273,1361 19.325,1362 0.759,1363 90,1364 324.497,1365 102.935,1366 299.682,1367 400.58,1368 282,1369 101,1370 283.475,1371 113.718,1372 281.387,1373 407.57,1374 264,1375 5.357} {0 CHEMBL33748,1 1.553,2 9.25,3 1.794,4 3.22,5 75.286,6 7.22,7 0.524,8 3.723,9 3.834,10 3.258,11 3.188,12 4.833,13 3.182,14 4.248,15 4.424,16 3.516,17 3.499,18 5.344,19 3.47,20 4.399,21 4.605,22 3.421,23 3.545,24 5.39,25 3.477,26 4.342,27 4.532,28 3.405,29 3.504,30 5.411,31 3.438,32 4.401,33 4.614,34 3.396,35 3.465,36 5.538,37 3.389,38 4.288,39 4.529,40 3.27,41 3.423,42 5.231,43 3.332,44 4.251,45 4.47,46 3.224,47 3.416,48 5.242,49 3.329,50 4.225,51 4.455,52 3.061,53 3.364,54 5.199,55 3.229,56 0.024,57 0.524,58 8.047,59 3.453,60 5.592,61 4.524,62 0.325,63 0.784,64 15.547,65 5.233,66 28.1,67 7.059,68 0.382,69 0.817,70 19.035,71 6.336,72 32.752,73 8.454,74 0.223,75 0.785,76 17.363,77 6.203,78 29.587,79 8.23,80 0.539,81 0.783,82 19.481,83 6.218,84 54.271,85 8.509,86 0.225,87 0.747,88 17.001,89 5.835,90 28.117,91 8.261,92 0.279,93 0.741,94 16.243,95 5.344,96 30.447,97 7.458,98 0.328,99 0.714,100 15.864,101 5.415,102 29.817,103 7.711,104 9,105 26,106 0.282,107 0.62,108 0.825,109 0.882,110 0.892,111 0.892,112 3.056,113 0.945,114 -3.07,115 -3.07,116 -2.95,118 39.5,119 1,120 1,124 3,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 5,171 2,172 5,180 5,185 1,186 5,194 4,198 4,206 2,209 3,210 6,218 1,222 5,229 1,234 4,242 2,246 2,247 3,255 1,259 1,270 572,271 13.767,272 13.767,273 13.767,274 13.767,275 13.767,276 12.24,277 14.489,278 8.696,279 14.28,280 10.369,281 10.369,282 10.369,283 10.369,284 10.369,285 8.107,286 14.332,287 4.074,288 11.058,289 3.695,290 1.834,291 0.704,292 0.388,293 0.336,294 0.336,295 3.718,298 1,299 1,300 1,301 380,302 3.24,305 58.79,306 73.419,313 1.575,314 18.394,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44,326 185,327 4.218,328 3.722,329 6.16,330 3.847,331 2.875,332 3.815,333 2.491,334 9.134,335 2.793,336 3.919,337 3.091,338 5.352,339 3.453,340 2.539,341 3.478,342 0.86,343 6.997,344 2.318,345 3.602,346 2.652,347 5.04,348 3.244,349 2.281,350 2.793,351 0.473,352 6.069,353 2.173,354 2.952,355 2.119,356 4.318,357 2.575,358 1.649,359 2.115,361 4.141,362 1.517,363 2.854,364 1.814,365 3.653,366 2.423,367 1.435,368 1.98,370 3.096,371 1.415,372 2.692,373 1.575,374 3.559,375 2.278,376 1.333,377 1.756,379 2.878,380 1.256,381 2.156,382 1.429,383 3.162,384 1.945,385 1,386 1.1,388 1.953,389 0.93,390 2.118,391 1.1,392 3.078,393 1.804,394 0.888,395 1.059,397 1.658,398 0.807,399 2.114,400 0.69,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.408,409 0.618,410 2.553,411 1.113,412 0.146,413 0.174,415 0.33,416 0.139,417 0.955,418 0.28,419 2.297,420 0.66,421 -0.28,422 -0.315,424 -0.613,425 -0.26,426 0.67,427 0.025,428 2,429 0.392,430 -0.59,431 -0.682,433 -0.992,434 -0.565,435 0.55,436 -0.373,437 1.697,438 0.151,439 -0.808,440 -1.046,442 -1.918,443 -0.769,444 0.429,445 -0.719,446 1.422,447 0.027,448 -1,449 -1.436,451 -2.436,452 -1.031,453 0.021,454 -0.991,455 1.249,456 -0.359,457 -1.298,458 -1.583,460 -2.885,461 -1.222,462 9.3,463 0.465,464 0.294,465 0.015,466 25,467 1.25,468 12,469 0.6,470 13,471 0.65,472 13.594,473 0.68,474 22.5,475 0.592,476 16.388,477 0.819,478 5.249,479 0.262,480 4.543,481 0.227,482 0.09,484 0.204,487 0.796,488 1.555,489 0.793,490 1.324,491 0.597,492 1.099,493 1.089,494 1.004,495 0.989,496 0.982,497 0.69,498 0.957,499 1.353,500 0.848,501 1.096,502 0.918,503 1.16,504 0.956,505 1.226,506 1.181,507 1.093,508 1.24,509 1.218,510 1.162,511 1.099,512 0.933,513 1.02,514 0.981,515 1.368,516 0.993,517 0.902,518 1.001,519 0.856,520 0.955,521 0.976,522 0.91,523 1.189,524 0.991,525 1.111,526 0.946,527 1.192,528 1.002,529 0.88,530 1.06,531 1.177,532 1.094,533 0.999,534 1.189,535 3,536 0.04,537 1.556,538 0.847,539 0.587,540 0.344,541 0.309,542 0.109,543 0.13,544 0.062,545 3878,546 11113,547 2.024,548 47.4,550 10,551 1,552 2,554 2,555 3,558 1.617,559 1.935,560 3.216,561 -0.738,563 1,565 1,567 59.004,568 1.553,569 3.414,570 4.544,571 4.86,572 4.912,573 4.912,574 2.733,575 3.922,576 4.291,577 3.373,578 640.811,579 7.327,580 6857.84,581 1,582 1,584 1,585 199.421,586 1.157,587 4.273,588 0.143,589 0.006,590 0.06,591 0.037,592 0.027,593 0.016,594 0.015,595 0.006,596 0.009,597 0.006,598 0.324,599 0.67,600 1,601 1.413,602 90.346,603 -0.017,604 -0.34,605 0.064,606 -0.198,607 -0.013,608 -0.076,609 0.01,610 0.094,611 -0.029,612 0.013,613 0.058,614 -0.006,615 -0.159,616 0.121,617 -0.103,618 0.068,619 -0.158,620 0.005,621 -0.129,622 -0.201,623 -0.129,624 -0.222,625 -0.068,626 -0.181,627 0.159,628 -0.009,629 -0.006,630 -0.016,631 0.063,632 -0.04,633 -0.04,634 -0.058,635 0.107,636 0.038,637 -0.019,638 0.09,639 -0.2,640 0.01,641 -0.145,642 0.034,643 -0.177,644 -0.033,645 -0.013,646 -0.074,647 -0.228,648 -0.109,649 -0.129,650 -0.206,651 1.904,652 4.535,653 0.55,654 16.46,655 1.007,656 1.13,657 1.838,658 3.38,659 0.644,660 3.091,661 3.296,662 3.466,663 3.638,664 3.638,665 3.584,666 3.611,667 3.611,668 3.611,669 3.555,670 5.667,671 0.616,672 274.35,673 3.091,674 4.554,675 5.342,676 6.159,677 6.965,678 7.789,679 8.602,680 9.428,681 10.246,682 11.072,683 5.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 38,726 12,727 1,728 21,730 39,731 15,733 9,734 2,735 4,739 2,740 2,745 1,751 1,753 10,754 5,756 1,761 1,765 1,768 1,769 1,772 18,773 4,775 5,778 1,779 2,784 1,785 3,801 1,802 1,819 1,832 2,836 1,840 20,846 4,848 2,862 7.9,865 1,867 2,869 10.333,870 6.983,871 4.694,872 2.332,874 2.045,875 1.334,876 0.926,877 5.624,878 8.172,879 3.35,880 3.823,881 4.264,882 4.731,883 4.921,884 4.868,885 5.042,886 5.266,887 5.457,888 5.689,889 1,890 23,891 7.368,893 2.929,894 7.8,895 13.978,897 10.592,899 2.3,900 46,901 0.001,904 211.88,905 102.889,906 18.685,908 47.145,911 102.889,912 259.025,913 18.685,914 8.825,915 13.825,916 46.952,917 81.283,918 41.375,919 11.771,920 176.567,922 211.88,923 121.574,924 47.145,927 176.567,928 82.458,931 42.215,932 62.573,933 16.786,935 211.88,936 65.829,937 102.889,940 211.88,941 29.445,942 75.343,944 63.93,945 211.88,946 65.829,947 102.889,949 0.545,950 0.306,951 0.167,952 0.075,953 10,954 4,955 0.205,956 8,958 1,959 3.37,960 133.068,962 11,963 86.439,968 14.601,969 7.704,970 4.676,972 63.93,973 12.876,974 3.971,978 1.567,979 1.938,981 380.598,982 27.5,987 11.535,991 -0.238,994 38.254,995 42.946,996 0.296,997 0.65,998 0.866,999 0.926,1000 0.936,1001 0.936,1002 4.508,1003 0.888,1004 5.252,1005 1.953,1006 3.97,1007 4.505,1008 2.599,1009 5.927,1010 3.858,1011 5.646,1012 0.618,1013 6.718,1014 1.658,1015 3.219,1016 3.98,1017 2.243,1018 6.555,1019 3.088,1020 6.892,1021 0.146,1022 8.286,1023 1.372,1024 5.416,1025 6.543,1026 3.955,1027 9.619,1028 5.206,1029 8.177,1030 -0.28,1031 9.919,1032 0.33,1033 5.565,1034 6.918,1035 4.356,1036 11.158,1037 5.33,1038 9.497,1039 -0.59,1040 11.595,1041 -0.613,1042 7.128,1043 8.854,1044 5.608,1045 13.669,1046 6.841,1047 10.839,1048 -0.808,1049 13.302,1050 -0.992,1051 7.715,1052 9.657,1053 6.296,1054 15.582,1055 7.4,1056 12.198,1057 -1,1058 15.03,1059 -1.918,1060 8.993,1061 11.309,1062 7.364,1063 17.903,1064 8.642,1065 2.875,1066 -1.298,1067 16.775,1068 -2.436,1069 9.801,1070 12.335,1071 8.171,1072 19.978,1073 9.422,1074 2.539,1075 9.134,1076 18.532,1077 -2.885,1078 10.947,1079 13.843,1080 9.157,1081 22.229,1082 10.541,1083 2.281,1084 6.997,1085 20.3,1086 3.815,1087 11.868,1088 14.991,1089 10.02,1090 24.377,1091 11.436,1092 1.649,1093 6.069,1094 22.074,1095 3.478,1096 12.954,1097 16.423,1098 10.968,1099 26.602,1100 12.499,1101 1.435,1102 4.141,1103 23.856,1104 2.793,1105 13.933,1106 17.641,1107 11.856,1108 28.784,1109 13.454,1110 1.333,1111 3.096,1112 25.643,1113 2.115,1114 14.994,1115 19.029,1116 12.786,1117 31,1118 14.492,1119 1,1120 2.878,1121 27.434,1122 1.98,1123 16.004,1124 20.289,1125 13.687,1126 33.197,1127 15.479,1128 3922,1129 6728,1130 14.099,1131 24.466,1132 29.878,1133 30.382,1134 30.226,1135 29.52,1136 29.529,1137 38.393,1138 7.648,1139 75.259,1140 27.85,1141 5.113,1142 5.722,1143 5.932,1144 4.936,1145 4.875,1146 6.815,1147 4.241,1148 15.348,1149 4.793,1150 7.95,1151 1.423,1152 1.447,1153 1.439,1154 1.406,1155 1.406,1156 1.828,1157 0.364,1158 3.584,1159 1.326,1160 3.967,1161 4.013,1162 3.905,1163 3.866,1164 7.432,1165 3.868,1166 3.889,1167 3.933,1168 3.83,1169 3.697,1170 4.962,1171 3.725,1172 3.582,1173 3.615,1174 3.481,1175 3.346,1176 4.825,1177 3.366,1178 3.35,1179 3.41,1180 3.199,1181 3.141,1182 4.46,1183 3.143,1184 3.302,1185 3.361,1186 3.114,1187 3.133,1188 4.332,1189 3.119,1190 2.849,1191 2.907,1192 2.715,1193 2.709,1194 3.758,1195 2.699,1196 2.797,1197 2.83,1198 2.676,1199 2.579,1200 3.689,1201 2.605,1202 2.524,1203 2.624,1204 2.306,1205 2.316,1206 3.586,1207 2.3,1208 0.201,1209 0.177,1210 0.293,1211 0.183,1212 0.137,1213 4.218,1214 0.182,1215 3.722,1216 0.119,1217 6.16,1218 0.435,1219 3.847,1220 0.133,1221 2.875,1222 3.815,1223 2.491,1224 9.134,1225 2.793,1226 1.911,1227 1.89,1228 2.024,1229 2.016,1230 1.173,1231 2.017,1232 1.628,1233 1.56,1234 1.828,1235 1.865,1236 1.075,1237 1.857,1238 1.509,1239 1.461,1240 1.805,1241 1.766,1242 0.938,1243 1.773,1244 1.309,1245 1.244,1246 1.538,1247 1.528,1248 0.687,1249 1.521,1250 1.294,1251 1.237,1252 1.5,1253 1.506,1254 0.528,1255 1.518,1256 1.099,1257 1.034,1258 1.332,1259 1.384,1260 0.316,1261 1.376,1262 0.83,1263 0.769,1264 1.115,1265 1.024,1266 0.17,1267 1.055,1268 0.693,1269 0.665,1270 1.011,1271 0.974,1272 0.114,1273 0.979,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.895,1281 6.26,1282 9.439,1284 1.797,1290 1.863,1292 10.69,1300 23.402,1301 59.004,1302 129.716,1303 172.666,1304 184.666,1305 186.666,1306 186.666,1307 31.291,1308 6.127,1309 53.35,1310 53.35,1311 11,1312 11.65,1313 3.7,1314 2.907,1315 36.441,1316 65,1317 68,1318 0.265,1319 147.882,1320 254.07,1321 352.591,1322 3318,1324 14.209,1325 0.71,1326 0.574,1327 14.209,1328 11.489,1329 9.792,1330 0.466,1331 0.315,1332 6.487,1333 9.262,1334 6.343,1335 5.27,1336 9.792,1337 6.614,1338 8.016,1339 0.308,1340 0.163,1341 8.016,1342 4.238,1343 6.215,1344 0.2,1345 0.09,1346 6.215,1347 2.779,1348 5.07,1349 0.137,1350 0.05,1351 5.07,1352 1.838,1353 3.274,1354 0.088,1355 0.028,1356 3.274,1357 1.025,1358 0.417,1359 62.258,1360 0.266,1361 20.357,1362 0.716,1363 94,1364 328.497,1365 106.935,1366 303.562,1367 404.22,1368 286,1369 104,1370 283.475,1371 116.053,1372 281.029,1373 403.45,1374 264,1375 5.699} {0 CHEMBL337607,1 1.874,2 10.577,3 3.333,4 11.11,5 88.757,6 8.747,7 0.444,8 3.852,9 3.95,10 3.512,11 3.323,12 5.167,13 3.354,14 4.364,15 4.507,16 3.897,17 3.646,18 6.136,19 3.664,20 4.559,21 4.757,22 3.833,23 3.724,24 5.841,25 3.72,26 4.583,27 4.788,28 3.835,29 3.639,30 5.936,31 3.672,32 4.504,33 4.673,34 3.853,35 3.618,36 5.888,37 3.666,38 4.519,39 4.695,40 3.832,41 3.658,42 5.976,43 3.661,44 4.532,45 4.738,46 3.799,47 3.652,48 5.961,49 3.623,50 4.526,51 4.766,52 3.654,53 3.546,54 5.91,55 3.518,56 0.286,57 0.803,58 6.198,59 4.015,60 45.192,61 4.127,62 1.012,63 1.512,64 13.795,65 6.211,66 173.307,67 6.851,68 0.802,69 1.286,70 19.606,71 7.195,72 104.366,73 8.746,74 1.036,75 1.318,76 21.751,77 6.928,78 143.572,79 7.606,80 0.943,81 1.242,82 18.32,83 6.381,84 112.991,85 6.608,86 1.042,87 1.262,88 18.173,89 6.483,90 119.349,91 7.49,92 1.012,93 1.274,94 19.341,95 7.119,96 94.83,97 9.03,98 0.966,99 1.372,100 21.232,101 6.924,102 135.274,103 8.442,104 36,105 36,106 0.33,107 0.665,108 0.815,109 0.897,110 0.897,111 0.897,112 3.304,113 0.86,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 5,141 3,143 2,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 6,175 1,177 1,180 8,181 1,186 10,191 1,194 6,195 1,197 1,198 9,203 1,206 4,209 2,210 7,211 1,218 5,221 2,222 5,223 1,225 1,229 6,233 1,234 4,237 1,242 7,247 3,255 6,256 2,259 4,264 2,267 3,268 3,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.424,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.118,289 3.518,290 1.619,291 0.771,292 0.304,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 49.652,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.024,336 4.287,337 3.999,338 6.494,339 3.947,340 2.982,341 3.669,342 2.373,343 10.157,344 2.778,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.232,358 2.235,359 2.71,361 5.184,362 2.174,363 3.252,364 2.347,365 4.601,366 2.778,367 1.837,368 2.489,370 4.714,371 1.711,372 2.806,373 1.92,374 4.097,375 2.608,376 1.655,377 1.918,379 3.696,380 1.562,381 2.788,382 1.726,383 3.709,384 2.332,385 1.372,386 1.818,388 3.224,389 1.304,390 2.574,391 1.454,392 3.498,393 2.157,394 1.185,395 1.603,397 2.629,398 1.142,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.96,412 1,413 1.441,415 2.136,416 0.957,417 1.932,418 1,419 3.041,420 1.627,421 0.673,422 0.816,424 1.556,425 0.636,426 1.234,427 0.814,428 2.73,429 1.095,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.516,444 0.744,445 0.51,446 2.288,447 0.319,448 -0.658,449 -0.876,451 -1.549,452 -0.641,453 0.625,454 0.504,455 2,456 0.185,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31,467 1.192,468 15,469 0.577,470 16,471 0.615,472 20.078,473 0.772,474 29.843,475 0.711,476 26.283,477 1.011,478 6.592,479 0.254,480 5.784,481 0.222,482 0.132,483 0.043,484 0.216,485 3,487 0.602,488 0.944,489 0.633,490 1.098,491 0.638,492 0.964,493 0.501,494 0.839,495 0.731,496 1.1,497 0.384,498 1.064,499 0.774,500 0.916,501 0.835,502 1.017,503 0.665,504 0.981,505 1.172,506 1.012,507 1.028,508 0.913,509 1.046,510 0.888,511 1.18,512 0.997,513 1.023,514 0.947,515 0.952,516 0.921,517 0.825,518 0.851,519 1.031,520 1.004,521 0.81,522 1.098,523 0.514,524 1.012,525 0.818,526 1.116,527 0.517,528 1.133,529 0.927,530 1.106,531 1.042,532 1.095,533 0.999,534 1.115,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 32075,547 1.943,548 38.1,549 2,550 7,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.773,570 4.622,571 5.089,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 0.01,604 0.014,605 0.014,606 0.008,607 -0.074,608 0.002,609 0.338,610 0.205,611 0.083,612 -0.039,613 0.424,614 -0.093,615 -0.074,616 -0.155,617 0.061,618 -0.037,619 -0.019,620 0.044,621 -0.215,622 -0.07,623 -0.047,624 0.042,625 -0.159,626 0.083,627 -0.223,628 -0.099,629 -0.105,630 0.015,631 -0.156,632 0.014,633 0.049,634 0.06,635 -0.134,636 -0.034,637 -0.031,638 -0.147,639 0.241,640 -0.14,641 0.111,642 -0.127,643 0.159,644 -0.102,645 -0.01,646 -0.043,647 -0.022,648 -0.111,649 -0.041,650 -0.087,651 5.727,652 4.949,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.435,874 2.101,875 1.321,876 0.908,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.026,893 4.61,894 8.542,895 17.097,897 13.211,899 3.042,900 79.083,903 1,904 176.567,905 98.655,906 52.726,908 79.047,909 44.88,911 98.655,912 255.614,913 97.606,915 12.196,916 47.381,917 128.363,918 103.151,920 153.024,921 7.76,922 176.567,923 151.381,924 123.927,927 153.024,928 147.47,931 57.45,932 60.605,933 33.326,935 221.447,936 131.773,937 98.655,940 184.326,941 25.419,942 65.476,944 176.653,945 176.567,946 176.653,947 98.655,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.653,973 9.043,974 7.34,978 -0.13,980 42.683,981 451.875,982 35,987 10.45,990 3.938,991 -0.717,994 43.894,995 48.464,996 0.348,997 0.7,998 0.857,999 0.944,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.188,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.674,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.017,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.476,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.207,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.448,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.368,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.516,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.525,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.635,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.686,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.782,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.854,1128 7498,1129 15882,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.77,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.356,1141 5.384,1142 6.46,1143 6.943,1144 5.234,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.024,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.384,1160 3.991,1161 4.019,1162 3.955,1163 3.912,1164 8.513,1165 3.916,1166 3.792,1167 3.837,1168 3.75,1169 3.661,1170 7.999,1171 3.673,1172 3.727,1173 3.774,1174 3.601,1175 3.568,1176 7.999,1177 3.563,1178 3.427,1179 3.457,1180 3.389,1181 3.148,1182 7.474,1183 3.186,1184 3.328,1185 3.368,1186 3.283,1187 3.059,1188 6.351,1189 3.099,1190 3.124,1191 3.175,1192 3.055,1193 2.9,1194 5.087,1195 2.923,1196 2.865,1197 2.915,1198 2.696,1199 2.608,1200 4.878,1201 2.602,1202 2.772,1203 2.854,1204 2.627,1205 2.546,1206 4.624,1207 2.582,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.2,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.024,1226 1.944,1227 1.922,1228 2.027,1229 2.042,1230 1.276,1231 2.035,1232 1.74,1233 1.701,1234 1.948,1235 1.904,1236 1.141,1237 1.914,1238 1.702,1239 1.651,1240 1.84,1241 1.887,1242 0.869,1243 1.878,1244 1.302,1245 1.264,1246 1.553,1247 1.607,1248 0.77,1249 1.575,1250 1.147,1251 1.112,1252 1.238,1253 1.453,1254 0.306,1255 1.365,1256 1.018,1257 0.968,1258 1.202,1259 1.293,1260 0.25,1261 1.25,1262 0.766,1263 0.71,1264 1.086,1265 1.11,1266 0.208,1267 1.106,1268 0.758,1269 0.693,1270 1.048,1271 0.989,1272 0.073,1273 1.014,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.847,1289 8.574,1290 1.039,1292 5.178,1296 -4.477,1300 27.573,1301 78.726,1302 158.461,1303 194.113,1304 213.722,1305 213.722,1306 213.722,1307 81.037,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.287,1332 7.561,1333 11.575,1334 7.497,1335 6.186,1336 11.165,1337 7.742,1338 11.437,1339 0.318,1340 0.148,1341 9.479,1342 5.334,1343 7.869,1344 0.192,1345 0.082,1346 6.907,1347 3.353,1348 6.108,1349 0.125,1350 0.043,1351 5.575,1352 2.099,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.323,1358 0.42,1359 80.115,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 154.82,1366 537.27,1367 680.24,1368 494,1369 140,1370 462.629,1371 161.203,1372 441.369,1373 647.6,1374 412,1375 5.178} {0 CHEMBL338241,1 1.592,2 15.441,3 4.171,4 17.4,5 131.991,6 7.752,7 0.5,8 4.202,9 4.297,10 3.915,11 3.788,12 5.32,13 3.741,14 4.719,15 4.866,16 4.159,17 4.146,18 6.032,19 4.074,20 4.965,21 5.153,22 4.191,23 4.292,24 6.06,25 4.187,26 5.029,27 5.224,28 4.12,29 4.288,30 6.148,31 4.173,32 5.049,33 5.269,34 4.102,35 4.278,36 6.103,37 4.154,38 5.019,39 5.25,40 4.105,41 4.267,42 6.068,43 4.126,44 4.977,45 5.198,46 4.027,47 4.211,48 6.044,49 4.088,50 4.939,51 5.155,52 3.946,53 4.103,54 6.095,55 4.005,56 0.11,57 0.848,58 15.077,59 6.34,60 22.462,61 7.427,62 0.482,63 1.332,64 24.65,65 10.282,66 83.922,67 12.549,68 0.378,69 1.65,70 35.982,71 13.864,72 71.268,73 16.751,74 0.48,75 1.721,76 38.232,77 14.272,78 92.346,79 17.4,80 0.491,81 1.746,82 37.278,83 14.005,84 90.305,85 18.107,86 0.558,87 1.725,88 37.614,89 14.344,90 73.887,91 18.819,92 0.353,93 1.634,94 37.612,95 13.95,96 66.846,97 17.65,98 0.46,99 1.503,100 32.327,101 11.95,102 85.29,103 15.359,104 34,105 48,106 0.254,107 0.589,108 0.764,109 0.859,110 0.866,111 0.866,112 3.56,113 1.035,114 -3.75,115 -3.72,116 -3.54,118 41.9,120 4,123 1,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 5,175 3,177 2,180 20,181 1,186 9,191 4,194 20,195 1,198 9,203 5,206 16,207 1,210 6,215 3,218 17,219 1,221 2,222 8,225 1,227 2,229 16,230 2,234 8,239 3,242 13,243 3,247 7,248 1,252 5,255 11,256 3,258 1,259 6,262 1,264 5,267 7,268 1,270 2212,271 22.791,272 22.791,273 22.791,274 22.791,275 22.791,276 19.965,277 16.144,278 13.744,279 23.211,280 17.704,281 17.704,282 17.704,283 17.704,284 17.704,285 13.389,286 10.799,287 6.438,288 18.287,289 4.362,290 2.261,291 1.165,292 0.573,293 0.528,294 0.528,295 4.242,300 1,301 1092,302 4.743,306 418.507,313 2.298,314 41.157,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 74,326 525,327 4.844,328 4.683,329 7.293,330 4.292,331 3.375,332 4.697,333 2.341,334 12.404,335 3.065,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.86,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.517,349 2.522,350 3.471,352 7.107,353 2.512,354 3.882,355 2.813,356 5.345,357 3.432,358 2.48,359 3.431,361 6.906,362 2.356,363 3.556,364 2.7,365 5.134,366 3.237,367 2.232,368 2.922,370 6.126,371 2.219,372 3.53,373 2.184,374 4.819,375 3.112,376 2.124,377 2.709,379 5.184,380 2.097,381 3.128,382 1.937,383 4.659,384 2.676,385 1.712,386 2.344,388 4.955,389 1.644,390 3.049,391 1.877,392 4.148,393 2.611,394 1.622,395 2.225,397 3.814,398 1.597,399 2.721,400 1.505,401 3.564,402 2.381,403 1.4,404 1.75,406 2.947,407 1.369,408 2.5,409 1.351,410 3.539,411 2.108,412 1.141,413 1.5,415 2.527,416 1.1,417 2.5,418 1.129,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1.032,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.313,436 1,437 3.285,438 1.957,439 1,440 1.276,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.832,448 0.841,449 1.075,451 1.99,452 0.83,453 1.653,454 1,455 3.005,456 1.358,457 0.493,458 0.552,460 0.756,461 0.422,462 16.3,463 0.479,464 0.786,465 0.023,466 44.75,467 1.316,468 24.5,469 0.721,470 20.25,471 0.596,472 27.859,473 0.819,474 37.1,475 0.598,476 37.157,477 1.093,478 8.907,479 0.262,480 7.479,481 0.22,482 0.112,483 0.051,484 0.215,487 0.646,488 1.224,489 0.841,490 1.195,491 0.696,492 0.974,493 0.669,494 1.025,495 0.919,496 0.994,497 0.501,498 0.996,499 0.933,500 1.058,501 1.124,502 1.098,503 0.892,504 1.026,505 1.08,506 1.113,507 1.189,508 1.124,509 1.155,510 1.119,511 0.895,512 1.013,513 0.908,514 0.945,515 1.031,516 1.038,517 0.477,518 0.991,519 0.908,520 1.001,521 0.511,522 1.02,523 0.769,524 1.077,525 1.078,526 1.137,527 0.789,528 1.048,529 1.137,530 1.002,531 0.882,532 0.913,533 1.185,534 1.019,535 7,536 0.268,537 4,538 1.938,539 1.156,540 0.951,541 0.728,542 0.51,543 0.308,544 0.248,545 18006,546 55967,547 2.004,548 45.2,549 4,550 16,552 2,553 2,554 2,555 2,558 1.757,559 1.88,560 3.854,561 0.177,567 98.733,568 1.592,569 3.693,570 4.789,571 5.381,572 5.426,573 5.426,574 3.327,575 4.161,576 5.055,577 4.071,578 2284.02,579 8.852,580 37630.4,585 369.16,586 1.455,587 5.013,588 0.194,589 0.01,590 0.083,591 0.04,592 0.026,593 0.022,594 0.017,595 0.012,596 0.008,597 0.008,598 0.419,599 0.33,600 0.75,601 1.395,602 186.987,603 0.035,604 -0.066,605 0.171,606 -0.039,607 -0.113,608 0.029,609 0.195,610 0.06,611 0.006,612 0.027,613 0.25,614 -0.024,615 -0.094,616 -0.03,617 -0.076,618 -0.024,619 -0.052,620 -0.018,621 -0.15,622 -0.107,623 -0.184,624 -0.101,625 -0.136,626 -0.128,627 -0.085,628 -0.032,629 -0.025,630 -0.006,631 -0.125,632 -0.048,633 0.18,634 0.006,635 0.054,636 -0.002,637 0.101,639 -0.022,640 -0.086,641 -0.059,642 -0.102,643 0.016,644 -0.028,645 -0.127,646 -0.049,647 -0.051,648 -0.033,649 -0.094,650 -0.056,651 4.512,652 5.488,653 0.529,654 44.235,655 1.007,656 1.119,657 2.525,658 6.373,659 0.675,660 3.611,661 3.892,662 4.078,663 4.234,664 4.419,665 4.466,666 4.554,667 4.511,668 4.533,669 4.595,670 8.878,671 0.64,672 480.63,673 3.611,674 5.13,675 5.943,676 6.792,677 7.625,678 8.482,679 9.323,680 10.184,681 11.031,682 11.893,683 3.2,685 1,693 1,699 12,700 1,704 5,706 18,722 1,724 62,726 22,727 2,728 36,730 64,731 26,733 17,734 4,735 8,736 2,739 3,740 3,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,772 28,773 7,774 2,775 8,776 1,779 2,784 1,785 5,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 1,840 34,844 1,845 1,846 5,847 1,848 1,862 8.1,864 1,865 3,867 1,869 18.083,870 11.067,871 7.681,872 3.572,874 2.948,875 1.399,876 0.951,877 9.26,878 10.33,879 3.912,880 4.483,881 4.951,882 5.427,883 5.928,884 6.097,885 6.398,886 6.473,887 6.7,888 6.976,889 1,890 49,891 12.784,893 5.524,894 7.973,895 23.735,897 19.06,899 2.473,900 84.083,904 306.049,905 171.714,906 33.191,908 123.141,910 5.807,911 165.907,912 429.19,913 33.191,914 10.883,915 12.244,916 126.451,917 153.379,918 48.631,920 282.506,922 306.049,923 199.097,924 123.141,925 5.807,927 282.506,928 146.683,931 46.744,932 126.092,933 32.069,935 306.049,936 156.332,937 171.714,939 5.807,940 306.049,941 32.69,942 133.217,943 16.405,944 139.927,945 306.049,946 156.332,947 171.714,949 0.57,950 0.317,951 0.157,952 0.084,953 19,954 9,955 0.188,956 12,958 1,959 4.558,960 289.433,962 18,963 162.974,967 1,968 25.48,969 12.356,970 7.709,972 156.332,973 21.5,974 4.196,978 3.736,980 59.088,981 634.095,982 49,986 -3.595,987 35.773,989 2.04,991 0.188,994 62.403,995 69.361,996 0.267,997 0.62,998 0.804,999 0.904,1000 0.911,1001 0.911,1002 5.121,1003 1.622,1004 5.927,1005 4.955,1006 4.575,1007 5.17,1008 2.402,1009 6.713,1010 4.513,1011 6.335,1012 1.4,1013 7.479,1014 3.814,1015 4.205,1016 5.103,1017 2.243,1018 7.861,1019 4.067,1020 7.658,1021 1.141,1022 9.152,1023 2.947,1024 6.184,1025 7.414,1026 3.657,1027 10.855,1028 6.039,1029 9.028,1030 1,1031 10.905,1032 2.527,1033 6.673,1034 8.203,1035 4.112,1036 12.894,1037 6.421,1038 10.437,1039 1,1040 12.714,1041 2.275,1042 8.138,1043 10.019,1044 5.206,1045 15.506,1046 7.874,1047 11.876,1048 1,1049 14.562,1050 2.275,1051 9.014,1052 11.194,1053 5.889,1054 17.85,1055 8.635,1056 13.338,1057 0.841,1058 16.44,1059 2.136,1060 10.291,1061 12.829,1062 6.849,1063 20.373,1064 9.879,1065 3.375,1066 0.493,1067 18.341,1068 1.99,1069 11.344,1070 14.189,1071 7.625,1072 22.819,1073 10.822,1074 3.016,1075 12.404,1076 20.258,1077 0.756,1078 12.557,1079 15.754,1080 8.526,1081 25.323,1082 11.98,1083 2.522,1084 10.18,1085 22.188,1086 4.697,1087 13.69,1088 17.205,1089 9.342,1090 27.807,1091 13.01,1092 2.48,1093 7.107,1094 24.129,1095 3.968,1096 14.885,1097 18.747,1098 10.216,1099 30.31,1100 14.135,1101 2.232,1102 6.906,1103 26.077,1104 3.471,1105 16.054,1106 20.242,1107 11.051,1108 32.809,1109 15.206,1110 2.124,1111 6.126,1112 28.032,1113 3.431,1114 17.247,1115 21.778,1116 11.912,1117 35.315,1118 16.319,1119 1.712,1120 5.184,1121 29.992,1122 2.922,1123 18.433,1124 23.296,1125 12.755,1126 37.821,1127 17.411,1128 17706,1129 31382,1130 23.633,1131 41.83,1132 52.524,1133 54.013,1134 53.709,1135 52.338,1136 52.323,1137 70.29,1138 6.402,1139 144.072,1140 50.753,1141 5.745,1142 6.683,1143 7.095,1144 5.342,1145 5.375,1146 7.697,1147 3.925,1148 19.558,1149 5.065,1150 18.358,1151 1.459,1152 1.5,1153 1.492,1154 1.454,1155 1.453,1156 1.952,1157 0.178,1158 4.002,1159 1.41,1160 4.086,1161 4.079,1162 4.735,1163 4.065,1164 7.717,1165 3.992,1166 3.992,1167 4.003,1168 3.953,1169 3.949,1170 7.474,1171 3.928,1172 3.819,1173 3.858,1174 3.75,1175 3.736,1176 6.999,1177 3.734,1178 3.699,1179 3.743,1180 3.719,1181 3.567,1182 6.351,1183 3.55,1184 3.666,1185 3.672,1186 3.579,1187 3.544,1188 4.925,1189 3.505,1190 3.427,1191 3.451,1192 3.346,1193 3.292,1194 4.847,1195 3.285,1196 3.286,1197 3.333,1198 3.152,1199 3.101,1200 4.718,1201 3.095,1202 3.176,1203 3.236,1204 2.998,1205 2.907,1206 4.331,1207 2.903,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.065,1217 7.293,1218 0.345,1219 4.292,1220 0.085,1221 3.375,1222 4.697,1223 2.341,1224 12.404,1225 3.065,1226 1.993,1227 1.978,1228 2.093,1229 2.068,1230 1.3,1231 2.088,1232 1.948,1233 1.951,1234 1.975,1235 2.023,1236 1.234,1237 2.05,1238 1.812,1239 1.777,1240 1.954,1241 1.924,1242 1.147,1243 1.935,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.027,1249 1.868,1250 1.545,1251 1.537,1252 1.701,1253 1.736,1254 0.867,1255 1.755,1256 1.359,1257 1.343,1258 1.568,1259 1.556,1260 0.669,1261 1.567,1262 1.236,1263 1.192,1264 1.509,1265 1.497,1266 0.599,1267 1.505,1268 1.124,1269 1.057,1270 1.21,1271 1.364,1272 0.49,1273 1.405,1274 4.29,1276 5.58,1278 7.06,1280 8.625,1282 10.234,1284 1.53,1289 8.872,1290 2.146,1291 2.632,1292 5.066,1300 39.652,1301 98.733,1302 228.975,1303 296.921,1304 333.65,1305 336.405,1306 336.405,1307 90.761,1308 7.382,1309 105.59,1310 113.97,1311 18,1312 12.445,1313 4.524,1314 3.807,1315 67.627,1316 185,1317 188,1318 0.177,1319 250.49,1320 444,1321 602.957,1322 16810,1324 24.391,1325 0.717,1326 0.582,1327 24.641,1328 19.793,1329 16.386,1330 0.455,1331 0.345,1332 10.938,1333 15.041,1334 10.548,1335 8.791,1336 17.207,1337 12.426,1338 14.528,1339 0.303,1340 0.197,1341 15.851,1342 9.433,1343 11.284,1344 0.195,1345 0.116,1346 12.391,1347 6.733,1348 8.659,1349 0.127,1350 0.066,1351 9.514,1352 4.475,1353 6.674,1354 0.081,1355 0.037,1356 7.365,1357 3.043,1358 0.289,1359 110.725,1360 0.206,1361 32.277,1362 0.458,1363 168,1364 539.93,1365 219.27,1366 538.512,1367 712.74,1368 496,1369 190,1370 473.865,1371 245.873,1372 518.157,1373 740.8,1374 484,1375 8.301} {0 CHEMBL338334,1 1.411,2 14.781,3 4.325,4 18.706,5 126.5,6 7.143,7 0.529,8 4.15,9 4.266,10 3.665,11 3.742,12 5.278,13 3.699,14 4.651,15 4.815,16 3.946,17 4.104,18 5.789,19 4.023,20 4.936,21 5.154,22 3.945,23 4.228,24 5.922,25 4.113,26 4.949,27 5.178,28 3.917,29 4.205,30 5.927,31 4.079,32 4.966,33 5.196,34 3.943,35 4.199,36 5.996,37 4.085,38 4.963,39 5.205,40 3.897,41 4.197,42 5.93,43 4.068,44 4.923,45 5.163,46 3.83,47 4.156,48 5.875,49 4.018,50 4.881,51 5.127,52 3.815,53 4.066,54 5.905,55 3.941,56 0.044,57 0.783,58 12.307,59 5.753,60 10.732,61 7.491,62 0.242,63 1.257,64 21.659,65 9.438,66 44.215,67 12.769,68 0.28,69 1.579,70 31.06,71 12.444,72 56.589,73 16.895,74 0.229,75 1.587,76 31.626,77 12.821,78 53.888,79 17.602,80 0.299,81 1.624,82 32.537,83 12.442,84 64.113,85 17.077,86 0.259,87 1.634,88 32.378,89 12.56,90 52.525,91 17.55,92 0.213,93 1.545,94 30.993,95 12.484,96 46.014,97 17.323,98 0.188,99 1.451,100 30.11,101 11.918,102 48.102,103 16.492,104 15,105 43,106 0.227,107 0.556,108 0.739,109 0.851,110 0.876,111 0.876,112 3.501,113 0.956,114 -4.61,115 -4.54,116 -4.27,118 45,120 5,124 1,133 1,134 1,140 11,141 4,143 2,154 2,163 1,167 1,168 22,169 1,172 4,175 2,177 3,180 26,181 1,186 4,191 3,194 23,195 1,198 6,203 5,206 18,207 1,210 7,215 5,218 17,219 1,222 7,227 3,229 17,230 2,234 6,239 3,242 15,243 3,247 5,248 1,252 5,255 13,256 3,258 1,259 4,262 1,264 5,267 12,268 1,270 2052,271 21.811,272 21.811,273 21.811,274 21.811,275 21.811,276 19.065,277 16.209,278 13.642,279 21.917,280 16.847,281 16.847,282 16.847,283 16.847,284 16.847,285 12.824,286 13.584,287 6.563,288 16.979,289 4.496,290 2.452,291 1.318,292 0.625,293 0.467,294 0.467,295 4.188,299 1,300 1,301 990,302 4.359,306 393.033,313 2.322,314 27.632,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.76,325 68,326 473,327 4.38,328 3.614,329 6.5,330 4.014,331 3.016,332 3.968,333 2.341,334 10.18,335 3.011,336 3.964,337 3.596,338 5.486,339 3.633,340 2.629,341 3.478,342 1.987,343 7.395,344 2.634,345 3.908,346 3.039,347 5.413,348 3.515,349 2.518,350 3.469,351 0.324,352 7.104,353 2.512,354 3.562,355 2.699,356 5.135,357 3.237,358 2.232,359 2.925,361 6.129,362 2.219,363 3.547,364 2.609,365 4.813,366 3.167,367 2.172,368 2.753,370 5.498,371 2.156,372 3.508,373 2.181,374 4.659,375 3.088,376 2.091,377 2.709,379 5.184,380 2.08,381 3.05,382 1.912,383 4.148,384 2.623,385 1.631,386 2.226,388 3.813,389 1.614,390 2.862,391 1.565,392 3.603,393 2.43,394 1.435,395 2.006,397 3.056,398 1.426,399 2.721,400 1.548,401 3.564,402 2.379,403 1.398,404 1.75,406 2.946,407 1.367,408 2.5,409 1.432,410 3.414,411 2.078,412 1.089,413 1.5,415 2.394,416 1.072,417 2.5,418 1.128,419 3.378,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.247,429 2,430 1,431 1.5,433 2.136,434 1,435 2.287,436 1,437 3.247,438 1.957,439 1,440 1.235,442 2.136,443 0.954,444 2.178,445 1,446 3.244,447 1.829,448 0.836,449 1.061,451 1.969,452 0.827,453 1.378,454 0.71,455 2.751,456 1.204,457 0.209,458 0.23,460 0.472,461 0.207,462 15.3,463 0.478,464 0.558,465 0.017,466 41.25,467 1.289,468 22.5,469 0.703,470 18.75,471 0.586,472 25.66,473 0.802,474 33.9,475 0.565,476 31.896,477 0.997,478 8.405,479 0.263,480 7.209,481 0.225,482 0.065,484 0.229,487 0.724,488 1.109,489 0.848,490 1.008,491 0.645,492 0.952,493 0.496,494 1.118,495 0.97,496 1.112,497 0.468,498 1.1,499 0.979,500 0.977,501 1.053,502 0.99,503 0.996,504 1.024,505 0.822,506 1.09,507 0.992,508 1.069,509 0.851,510 1.059,511 1.033,512 1.038,513 1.026,514 0.989,515 0.998,516 1.003,517 0.809,518 1.013,519 1.003,520 1.007,521 0.742,522 1.02,523 0.736,524 1.044,525 1.002,526 1.081,527 0.748,528 1.074,529 0.786,530 1.07,531 0.893,532 1.07,533 0.761,534 1.009,535 5,536 0.169,537 2.444,538 1.5,539 0.924,540 0.569,541 0.482,542 0.457,543 0.312,544 0.146,545 15888,546 43082,547 2.048,548 46.7,549 4,550 14,552 2,553 2,554 4,555 2,558 1.742,559 1.959,560 3.812,561 0.115,563 1,567 84.671,568 1.411,569 3.455,570 4.589,571 5.282,572 5.44,573 5.44,574 3.269,575 4.179,576 4.966,577 4.037,578 2002.23,579 8.674,580 31939,582 1,585 354.413,586 1.171,587 4.951,588 0.147,589 0.006,590 0.057,591 0.036,592 0.023,593 0.014,594 0.012,595 0.013,596 0.009,597 0.005,598 0.322,599 0.17,600 0.88,601 1.258,602 173.282,603 -0.05,604 0.007,605 0.014,606 0.042,607 -0.042,608 0.037,609 0.177,610 -0.044,611 -0.073,612 -0.091,613 0.145,614 -0.11,615 -0.113,616 0.023,617 -0.096,618 0.008,619 -0.12,620 -0.034,621 -0.034,622 -0.113,623 -0.036,624 -0.068,625 -0.047,626 -0.057,627 -0.094,628 -0.038,629 -0.049,630 -0.01,631 -0.065,632 -0.023,633 -0.051,634 -0.008,635 -0.041,636 -0.026,637 -0.028,638 -0.028,639 -0.016,640 -0.066,641 -0.046,642 -0.085,643 -0.022,644 -0.07,645 0.046,646 -0.116,647 0.083,648 -0.078,649 0.078,650 -0.005,651 2.443,652 5.109,653 0.563,654 43.258,655 0.995,656 1.117,657 3.385,658 11.457,659 0.671,660 3.555,661 3.784,662 3.951,663 4.143,664 4.317,665 4.277,666 4.394,667 4.466,668 4.443,669 4.443,670 8.698,671 0.634,672 428.57,673 3.555,674 5.043,675 5.838,676 6.663,677 7.476,678 8.309,679 9.132,680 9.97,681 10.8,682 11.641,683 3.3,690 1,693 1,699 13,700 1,704 4,706 18,724 60,726 21,727 2,728 34,730 62,731 27,733 17,734 3,735 9,736 2,739 3,740 3,751 5,753 21,754 6,756 3,761 2,763 1,765 3,769 1,772 28,773 5,774 2,775 5,779 2,784 1,785 3,795 1,802 3,816 1,818 1,822 1,823 1,830 1,832 3,840 32,845 1,846 6,847 1,862 5,864 1,865 2,869 16.333,870 10.4,871 7.306,872 3.635,874 2.876,875 1.399,876 0.951,877 9.064,878 10.093,879 3.85,880 4.35,881 4.81,882 5.314,883 5.808,884 5.848,885 6.199,886 6.464,887 6.614,888 6.823,889 0.9,890 42,891 11.822,893 4.848,894 7.818,895 22.595,897 17.961,899 2.318,900 74.167,903 1,904 306.049,905 168.131,906 34.796,908 92.973,911 168.131,912 399.022,913 34.796,915 32.789,916 113.715,917 138.915,918 34.023,920 282.506,922 306.049,923 202.927,924 92.973,927 282.506,928 116.515,931 50.884,932 125.781,933 26.262,935 306.049,936 127.769,937 168.131,940 306.049,941 36.321,942 131.81,943 18.011,944 109.759,945 306.049,946 127.769,947 168.131,949 0.556,950 0.3,951 0.16,952 0.087,953 16,954 7,955 0.177,956 11,958 1,959 4.526,960 260.165,962 18,963 152,968 23.277,969 12.461,970 8,972 127.769,973 25.444,974 4.217,978 4.214,980 60.694,981 601.949,982 46,987 22.893,989 2.082,991 0.295,994 59.672,995 67.022,996 0.239,997 0.585,998 0.777,999 0.894,1000 0.921,1001 0.921,1002 5.027,1003 1.435,1004 5.759,1005 3.813,1006 4.466,1007 5.037,1008 2.805,1009 6.444,1010 4.453,1011 6.186,1012 1.398,1013 7.232,1014 3.056,1015 3.761,1016 4.511,1017 2.591,1018 7.111,1019 3.767,1020 7.441,1021 1.089,1022 8.806,1023 2.946,1024 5.927,1025 7.087,1026 4.075,1027 10.186,1028 5.909,1029 8.73,1030 1,1031 10.446,1032 2.394,1033 6.066,1034 7.364,1035 4.429,1036 11.79,1037 6.068,1038 10.05,1039 1,1040 12.132,1041 2.275,1042 7.651,1043 9.397,1044 5.542,1045 14.356,1046 7.632,1047 11.392,1048 1,1049 13.853,1050 2.136,1051 8.223,1052 10.089,1053 6.142,1054 16.368,1055 8.22,1056 12.753,1057 0.836,1058 15.6,1059 2.136,1060 9.535,1061 11.849,1062 7.1,1063 18.767,1064 9.516,1065 3.016,1066 0.209,1067 17.368,1068 1.969,1069 10.344,1070 12.788,1071 7.82,1072 20.956,1073 10.337,1074 2.629,1075 10.18,1076 19.154,1077 0.472,1078 11.525,1079 14.389,1080 8.71,1081 23.3,1082 11.507,1083 2.518,1084 7.395,1085 20.953,1086 3.968,1087 12.465,1088 15.484,1089 9.489,1090 25.564,1091 12.454,1092 2.232,1093 7.104,1094 22.764,1095 3.478,1096 13.587,1097 16.989,1098 10.35,1099 27.891,1100 13.569,1101 2.172,1102 6.129,1103 24.585,1104 3.469,1105 14.598,1106 18.185,1107 11.16,1108 30.186,1109 14.583,1110 2.091,1111 5.498,1112 26.415,1113 2.925,1114 15.696,1115 19.632,1116 12.009,1117 32.508,1118 15.677,1119 1.631,1120 5.184,1121 28.251,1122 2.753,1123 16.745,1124 20.892,1125 12.836,1126 34.817,1127 16.727,1128 15481,1129 25602,1130 22.94,1131 40.273,1132 49.102,1133 50.198,1134 49.39,1135 48.485,1136 48.51,1137 64.616,1138 9.303,1139 125.373,1140 48.158,1141 5.294,1142 5.614,1143 6.301,1144 5.05,1145 5.016,1146 6.968,1147 3.925,1148 16.922,1149 5.011,1150 13.771,1151 1.444,1152 1.476,1153 1.453,1154 1.426,1155 1.427,1156 1.9,1157 0.274,1158 3.687,1159 1.416,1160 4.02,1161 4.049,1162 3.961,1163 3.965,1164 7.474,1165 3.96,1166 3.918,1167 3.948,1168 3.847,1169 3.856,1170 7.428,1171 3.849,1172 3.821,1173 3.861,1174 3.751,1175 3.737,1176 6.351,1177 3.735,1178 3.696,1179 3.742,1180 3.581,1181 3.552,1182 4.923,1183 3.548,1184 3.585,1185 3.638,1186 3.493,1187 3.392,1188 4.749,1189 3.405,1190 3.398,1191 3.426,1192 3.313,1193 3.237,1194 4.716,1195 3.248,1196 3.251,1197 3.302,1198 3.102,1199 3.083,1200 4.25,1201 3.079,1202 3.008,1203 3.053,1204 2.874,1205 2.815,1206 4.098,1207 2.825,1208 0.129,1209 0.106,1210 0.191,1211 0.118,1212 0.089,1213 4.38,1214 0.117,1215 3.614,1216 0.069,1217 6.5,1218 0.299,1219 4.014,1220 0.089,1221 3.016,1222 3.968,1223 2.341,1224 10.18,1225 3.011,1226 1.99,1227 1.966,1228 2.095,1229 2.064,1230 1.297,1231 2.075,1232 1.917,1233 1.889,1234 2.044,1235 2.007,1236 1.222,1237 2.02,1238 1.814,1239 1.779,1240 1.959,1241 1.929,1242 1.159,1243 1.94,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.032,1249 1.868,1250 1.526,1251 1.471,1252 1.734,1253 1.747,1254 0.867,1255 1.743,1256 1.348,1257 1.313,1258 1.55,1259 1.547,1260 0.702,1261 1.541,1262 1.233,1263 1.18,1264 1.489,1265 1.445,1266 0.656,1267 1.46,1268 0.959,1269 0.916,1270 1.203,1271 1.196,1272 0.35,1273 1.196,1274 4.234,1276 5.485,1278 6.919,1280 8.436,1282 9.998,1289 8.865,1290 3.176,1291 2.98,1300 38.036,1301 84.671,1302 207.282,1303 275.34,1304 316.904,1305 326.413,1306 326.413,1307 69.485,1308 7.217,1309 79.29,1310 79.29,1311 18,1312 12.209,1313 4.459,1314 3.7,1315 61.43,1316 166,1317 166,1318 0.175,1319 238.032,1320 422.57,1321 572.558,1322 14001,1324 22.598,1325 0.706,1326 0.564,1327 22.598,1328 18.036,1329 15.614,1330 0.459,1331 0.319,1332 10.759,1333 15.248,1334 10.518,1335 8.761,1336 15.614,1337 10.839,1338 13.297,1339 0.309,1340 0.177,1341 13.297,1342 7.605,1343 10.091,1344 0.198,1345 0.1,1346 10.091,1347 5.124,1348 8.121,1349 0.131,1350 0.056,1351 8.121,1352 3.465,1353 6.392,1354 0.086,1355 0.031,1356 6.392,1357 2.304,1358 0.285,1359 96.371,1360 0.209,1361 30.903,1362 0.45,1363 154,1364 437.599,1365 163.751,1366 429.79,1367 571.23,1368 400,1369 171,1370 398.106,1371 178.316,1372 407.682,1373 579.42,1374 384,1375 7.678} {0 CHEMBL338360,1 1.782,2 15.694,3 5.13,4 26.317,5 131.502,6 8.502,7 0.474,8 4.2,9 4.291,10 3.969,11 3.786,12 5.383,13 3.758,14 4.743,15 4.878,16 4.308,17 4.152,18 6.434,19 4.108,20 4.983,21 5.168,22 4.285,23 4.296,24 6.21,25 4.214,26 5.071,27 5.267,28 4.231,29 4.268,30 6.362,31 4.192,32 5.038,33 5.25,34 4.15,35 4.245,36 6.23,37 4.151,38 4.98,39 5.197,40 4.236,41 4.25,42 6.001,43 4.135,44 5.038,45 5.251,46 4.24,47 4.193,48 6.655,49 4.112,50 4.901,51 5.119,52 3.997,53 4.088,54 6.09,55 4.003,56 0.205,57 1.054,58 12.542,59 6.357,60 48.575,61 6.673,62 1.101,63 2.021,64 22.458,65 10.513,66 202.361,67 11.635,68 0.681,69 1.939,70 34.725,71 14.191,72 113.69,73 16.22,74 1.026,75 2.104,76 39.503,77 14.722,78 176.637,79 16.125,80 1,81 1.927,82 35.581,83 13.699,84 173.716,85 15.947,86 0.639,87 1.864,88 38.068,89 14.318,90 110.632,91 17.317,92 1.553,93 1.884,94 37.386,95 13.528,96 281.937,97 17.082,98 0.692,99 1.615,100 29.845,101 12.079,102 120.372,103 15.023,104 58,105 53,106 0.285,107 0.603,108 0.749,109 0.846,110 0.863,111 0.863,112 3.615,113 0.997,114 -4.81,115 -4.73,116 -4.44,118 42.6,120 4,124 1,131 1,133 1,134 1,140 10,141 4,142 1,143 2,154 1,163 1,167 1,168 19,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 20,195 1,198 9,203 5,206 16,207 1,210 8,215 4,218 17,219 1,222 8,227 2,229 16,230 2,234 8,239 3,242 14,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 5,262 1,264 5,267 9,268 1,270 2626,271 23.393,272 23.393,273 23.393,274 23.393,275 23.393,276 20.605,277 16.285,278 13.877,279 23.885,280 18.751,281 18.751,282 18.751,283 18.751,284 18.751,285 14.504,286 10.302,287 6.567,288 19.629,289 4.149,290 2.165,291 1.25,292 0.648,293 0.537,294 0.537,295 4.292,300 1,301 1170,302 5.244,306 448.029,313 2.395,314 65.392,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 81.5,326 565,327 4.846,328 4.684,329 7.295,330 4.304,331 3.392,332 4.698,333 3.825,334 12.409,335 3.075,336 4.418,337 4.459,338 7.108,339 4.144,340 3.286,341 3.968,342 2.341,343 11.648,344 3.011,345 4.38,346 3.596,347 6.5,348 4.014,349 3.016,350 3.75,352 10.18,353 2.832,354 3.908,355 3.039,356 5.415,357 3.516,358 2.519,359 3.47,361 7.106,362 2.511,363 3.556,364 2.7,365 5.135,366 3.237,367 2.232,368 2.922,370 6.127,371 2.219,372 3.531,373 2.233,374 4.974,375 3.115,376 2.128,377 2.778,379 5.664,380 2.099,381 3.467,382 2.178,383 4.659,384 2.986,385 2.031,386 2.709,388 5.184,389 1.906,390 3.051,391 1.915,392 4.544,393 2.625,394 1.636,395 2.227,397 4.258,398 1.615,399 2.778,400 1.747,401 4.148,402 2.386,403 1.42,404 1.855,406 3.812,407 1.371,408 2.721,409 1.492,410 3.564,411 2.344,412 1.392,413 1.75,415 2.947,416 1.29,417 2.5,418 1.246,419 3.533,420 2.083,421 1.112,422 1.5,424 2.511,425 1.075,426 2.5,427 1.122,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.31,445 1,446 3.284,447 1.957,448 1,449 1.27,451 2.136,452 0.954,453 2.194,454 1,455 3.247,456 1.831,457 0.839,458 1.073,460 1.988,461 0.829,462 16.824,463 0.467,464 1.113,465 0.031,466 45.5,467 1.264,468 24,469 0.667,470 21.5,471 0.597,472 30.795,473 0.855,474 40.176,475 0.659,476 41.374,477 1.149,478 9.102,479 0.253,480 7.958,481 0.221,482 0.13,483 0.079,484 0.208,485 3,487 0.549,488 0.985,489 0.759,490 1.154,491 0.643,492 0.94,493 0.387,494 0.785,495 0.814,496 1.009,497 0.39,498 1.035,499 0.677,500 0.896,501 1.022,502 1.119,503 0.655,504 1.053,505 1.038,506 0.988,507 1.169,508 1.085,509 1.027,510 1.095,511 0.918,512 0.803,513 0.972,514 0.873,515 0.923,516 1.037,517 0.406,518 0.806,519 0.875,520 1.163,521 0.457,522 1.101,523 0.409,524 0.689,525 0.784,526 0.923,527 0.443,528 1.004,529 0.688,530 0.83,531 0.772,532 0.966,533 0.688,534 1.07,535 9,536 0.334,537 4.889,538 2.438,539 1.236,540 1.076,541 0.973,542 0.573,543 0.357,544 0.268,545 21004,546 80455,547 1.965,548 41,549 4,550 13,552 2,553 2,554 2,555 2,558 1.771,559 1.815,560 3.874,561 0.204,567 108.712,568 1.782,569 3.766,570 4.681,571 5.283,572 5.394,573 5.394,574 3.317,575 4.517,576 5.139,577 4.137,578 2606.29,579 9.014,580 45095.8,585 361.775,586 1.622,587 5.073,588 0.237,589 0.011,590 0.092,591 0.046,592 0.025,593 0.024,594 0.022,595 0.012,596 0.009,597 0.008,598 0.485,599 0.17,600 0.75,601 1.409,602 201.831,603 0.007,604 -0.023,605 0.135,606 -0.012,607 -0.103,608 0.042,609 0.415,610 0.25,611 0.048,612 0.011,613 0.399,614 -0.079,615 -0.032,616 -0.094,617 -0.033,618 -0.063,619 0.003,620 -0.021,621 -0.151,622 -0.073,623 -0.173,624 -0.075,625 -0.12,626 -0.097,627 -0.133,628 0.026,629 -0.088,630 0.054,631 -0.132,632 -0.038,633 0.079,634 -0.104,635 0.125,636 -0.124,637 0.014,638 -0.034,639 0.392,640 0.13,641 0.122,642 0.003,643 0.376,644 0.004,645 -0.013,646 -0.08,647 0.035,648 -0.078,649 -0.014,650 -0.046,651 5.785,652 5.408,653 0.5,654 48.324,655 1.026,656 1.134,657 3.584,658 12.848,659 0.675,660 3.664,661 3.989,662 4.143,663 4.29,664 4.466,665 4.554,666 4.71,667 4.554,668 4.575,669 4.635,670 9.328,671 0.657,672 518.6,673 3.664,674 5.209,675 6.023,676 6.891,677 7.725,678 8.596,679 9.441,680 10.313,681 11.164,682 12.036,683 3.3,685 1,693 1,699 12,700 1,704 5,706 18,724 61,726 22,727 2,728 38,730 63,731 26,733 17,734 4,735 8,736 2,739 3,740 3,745 1,750 1,751 4,753 20,754 6,756 4,760 1,761 3,763 1,765 2,770 3,772 25,773 9,774 2,775 10,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,838 3,840 36,844 1,845 1,846 5,847 1,852 1,861 3,862 6.6,864 1,865 3,869 19.833,870 10.579,871 7.847,872 3.534,874 2.982,875 1.396,876 0.959,877 9.17,878 10.508,879 3.951,880 4.538,881 4.992,882 5.465,883 5.964,884 6.17,885 6.549,886 6.493,887 6.717,888 6.988,889 1,890 53,891 14.115,893 6.762,894 8.384,895 24.449,897 19.91,899 2.884,900 103.833,904 270.735,905 166.533,906 33.191,908 112.141,909 44.88,910 5.807,911 160.725,912 382.877,913 78.071,915 12.244,916 126.451,917 153.379,918 80.454,920 247.193,921 7.76,922 270.735,923 193.916,924 157.022,925 5.807,927 247.193,928 180.564,931 54.503,932 113.151,933 32.069,935 315.616,936 145.332,937 166.533,939 5.807,940 278.495,941 30.632,942 122.334,943 16.405,944 173.807,945 270.735,946 190.212,947 166.533,949 0.586,950 0.314,951 0.149,952 0.079,953 22,954 11,955 0.175,956 11,958 1,959 4.649,960 315.258,962 18,963 171.362,967 1,968 27.292,969 12.096,970 8.124,972 190.212,973 17.999,974 4.155,978 1.519,980 59.088,981 627.48,982 51,986 -3.944,987 35.602,989 1.979,991 0.077,994 62.614,995 69.171,996 0.3,997 0.635,998 0.789,999 0.891,1000 0.909,1001 0.909,1002 5.19,1003 1.636,1004 6.057,1005 5.184,1006 4.673,1007 5.226,1008 3.381,1009 6.893,1010 4.584,1011 6.429,1012 1.42,1013 7.649,1014 4.258,1015 4.511,1016 5.239,1017 4.06,1018 8.209,1019 4.255,1020 7.772,1021 1.392,1022 9.368,1023 3.812,1024 6.368,1025 7.476,1026 5.571,1027 11.168,1028 6.147,1029 9.159,1030 1.112,1031 11.166,1032 2.947,1033 7.013,1034 8.3,1035 6.762,1036 13.283,1037 6.604,1038 10.581,1039 1,1040 13.016,1041 2.511,1042 8.425,1043 10.085,1044 8.113,1045 15.888,1046 8.018,1047 12.031,1048 1,1049 14.9,1050 2.275,1051 9.397,1052 11.271,1053 9.418,1054 18.252,1055 8.821,1056 13.501,1057 1,1058 16.808,1059 2.275,1060 10.66,1061 12.889,1062 10.755,1063 20.768,1064 10.046,1065 3.392,1066 0.839,1067 18.732,1068 2.136,1069 11.766,1070 14.25,1071 12.086,1072 23.212,1073 11.009,1074 3.286,1075 12.409,1076 20.667,1077 1.988,1078 12.98,1079 15.805,1080 13.424,1081 25.706,1082 12.157,1083 3.016,1084 11.648,1085 22.611,1086 4.698,1087 14.139,1088 17.252,1089 14.762,1090 28.179,1091 13.193,1092 2.519,1093 10.18,1094 24.561,1095 3.968,1096 15.34,1097 18.786,1098 16.102,1099 30.669,1100 14.311,1101 2.232,1102 7.106,1103 26.516,1104 3.75,1105 16.522,1106 20.277,1107 17.443,1108 33.155,1109 15.382,1110 2.128,1111 6.127,1112 28.475,1113 3.47,1114 17.72,1115 21.808,1116 18.784,1117 35.648,1118 16.489,1119 2.031,1120 5.664,1121 30.437,1122 2.922,1123 18.913,1124 23.322,1125 20.125,1126 38.14,1127 17.577,1128 20730,1129 40976,1130 24.326,1131 41.188,1132 57.134,1133 57.158,1134 57.215,1135 56.746,1136 56.417,1137 74.394,1138 12.332,1139 161.963,1140 53.974,1141 5.748,1142 6.684,1143 7.097,1144 5.356,1145 5.392,1146 7.698,1147 5.409,1148 19.632,1149 5.075,1150 22.533,1151 1.504,1152 1.504,1153 1.506,1154 1.493,1155 1.485,1156 1.958,1157 0.325,1158 4.262,1159 1.42,1160 4.093,1161 4.087,1162 4.735,1163 4.072,1164 8.513,1165 4,1166 3.994,1167 4.009,1168 3.953,1169 3.95,1170 7.999,1171 3.933,1172 3.822,1173 3.861,1174 3.803,1175 3.737,1176 7.999,1177 3.735,1178 3.716,1179 3.745,1180 3.746,1181 3.606,1182 7.717,1183 3.56,1184 3.692,1185 3.71,1186 3.58,1187 3.55,1188 7.474,1189 3.537,1190 3.433,1191 3.464,1192 3.349,1193 3.295,1194 6.999,1195 3.291,1196 3.301,1197 3.348,1198 3.248,1199 3.106,1200 6.351,1201 3.107,1202 3.171,1203 3.199,1204 3.139,1205 2.855,1206 4.923,1207 2.902,1208 0.128,1209 0.123,1210 0.192,1211 0.113,1212 0.089,1213 4.846,1214 0.124,1215 4.684,1216 0.101,1217 7.295,1218 0.327,1219 4.304,1220 0.081,1221 3.392,1222 4.698,1223 3.825,1224 12.409,1225 3.075,1226 1.994,1227 1.983,1228 2.093,1229 2.069,1230 1.3,1231 2.091,1232 1.961,1233 1.957,1234 1.987,1235 2.033,1236 1.236,1237 2.055,1238 1.813,1239 1.778,1240 1.956,1241 1.926,1242 1.165,1243 1.936,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.03,1249 1.868,1250 1.562,1251 1.56,1252 1.7,1253 1.747,1254 0.871,1255 1.761,1256 1.367,1257 1.348,1258 1.51,1259 1.553,1260 0.671,1261 1.551,1262 1.233,1263 1.194,1264 1.221,1265 1.466,1266 0.573,1267 1.461,1268 0.963,1269 0.923,1270 1.181,1271 1.282,1272 0.333,1273 1.22,1274 4.344,1276 5.666,1278 7.171,1280 8.754,1282 10.379,1286 38.084,1289 8.855,1290 1.631,1291 2.412,1296 -4.535,1300 40.087,1301 108.712,1302 229.721,1303 285.536,1304 322.265,1305 329.02,1306 329.02,1307 125.101,1308 7.526,1309 96.36,1310 104.74,1311 18,1312 12.582,1313 4.524,1314 3.807,1315 74.154,1316 205,1317 178,1318 0.174,1319 250.089,1320 453.42,1321 601.977,1322 20330,1323 4.9,1324 26.184,1325 0.727,1326 0.556,1327 23.934,1328 20.019,1329 17.059,1330 0.449,1331 0.332,1332 11.108,1333 15.575,1334 10.812,1335 8.925,1336 16.669,1337 12.63,1338 16.316,1339 0.308,1340 0.185,1341 15.682,1342 9.779,1343 11.812,1344 0.191,1345 0.111,1346 11.983,1347 6.855,1348 9.048,1349 0.126,1350 0.063,1351 9.203,1352 4.543,1353 6.855,1354 0.08,1355 0.036,1356 7.272,1357 3.097,1358 0.285,1359 115.9,1360 0.203,1361 33.822,1362 0.447,1363 182,1364 768.528,1365 247.408,1366 680.721,1367 872.42,1368 622,1369 206,1370 567.319,1371 269.692,1372 592.438,1373 871.92,1374 554,1375 8.222} {0 CHEMBL338419,1 1.643,2 15.122,3 5.214,4 27.19,5 162.721,6 7.769,7 0.409,8 4.42,9 4.523,10 4.117,11 3.991,12 5.464,13 3.941,14 4.986,15 5.151,16 4.418,17 4.38,18 6.173,19 4.301,20 5.262,21 5.466,22 4.473,23 4.566,24 6.261,25 4.439,26 5.352,27 5.566,28 4.407,29 4.572,30 6.379,31 4.436,32 5.392,33 5.63,34 4.495,35 4.585,36 6.389,37 4.454,38 5.369,39 5.585,40 4.57,41 4.651,42 6.397,43 4.518,44 5.455,45 5.678,46 4.503,47 4.675,48 6.461,49 4.542,50 5.449,51 5.68,52 4.449,53 4.615,54 6.527,55 4.491,56 0.101,57 1.079,58 18.438,59 7.79,60 21.539,61 9.573,62 0.586,63 1.76,64 32.887,65 12.691,66 83.268,67 16.142,68 0.595,69 2.211,70 53.15,71 18.607,72 76.365,73 22.938,74 0.631,75 2.331,76 57.64,77 19.961,78 116.786,79 25.036,80 0.844,81 2.418,82 58.3,83 19.429,84 117.18,85 25.221,86 0.695,87 2.471,88 58.224,89 20.507,90 95.235,91 26.162,92 0.607,93 2.571,94 61.276,95 22.204,96 111.072,97 28.42,98 0.885,99 2.42,100 59.812,101 20.731,102 132.99,103 27.458,104 31,105 59,106 0.251,107 0.554,108 0.738,109 0.85,110 0.855,111 0.855,112 3.741,113 1.065,114 -4.17,115 -4.11,116 -3.89,118 40.3,120 4,124 7,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 3,172 4,175 1,177 1,180 22,181 1,185 2,186 10,191 1,194 22,195 1,198 13,203 1,206 16,207 1,209 2,210 9,215 1,218 17,219 1,221 1,222 15,227 1,229 16,230 2,234 13,239 2,242 13,243 3,246 2,247 11,248 1,252 3,255 12,256 3,258 1,259 12,262 1,264 3,267 8,268 1,270 3748,271 27.584,272 27.584,273 27.584,274 27.584,275 27.584,276 24.727,277 24.974,278 16.73,279 28.273,280 21.729,281 21.729,282 21.729,283 21.729,284 21.729,285 17.448,286 24.253,287 7.977,288 22.861,289 4.624,290 2.647,291 1.438,292 0.711,293 0.675,294 0.675,295 4.434,297 1,300 1,301 1310,302 5.099,306 688.307,313 2.125,314 51.072,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.67,323 0.5,324 0.66,325 88.833,326 620,327 4.931,328 4.725,329 7.666,330 4.432,331 3.51,332 4.758,333 2.341,334 13.61,335 3.21,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.86,343 10.18,344 3.011,345 3.912,346 3.04,347 5.614,348 3.525,349 2.548,350 3.471,351 0.8,352 7.183,353 2.514,354 3.853,355 2.917,356 5.407,357 3.445,358 2.512,359 3.41,360 0.4,361 7.022,362 2.316,363 3.557,364 2.888,365 5.329,366 3.348,367 2.427,368 2.923,370 6.693,371 2.219,372 3.537,373 2.731,374 5.133,375 3.237,376 2.232,377 2.709,379 6.132,380 2.212,381 3.521,382 2.467,383 5.002,384 3.116,385 2.136,386 2.536,388 5.729,389 2.093,390 3.193,391 2.173,392 4.659,393 2.867,394 1.958,395 2.373,397 5.184,398 1.729,399 3.046,400 2.136,401 4.256,402 2.613,403 1.623,404 2.224,406 3.897,407 1.599,408 2.805,409 1.903,410 4.142,411 2.416,412 1.52,413 1.811,415 3.765,416 1.367,417 2.72,418 1.546,419 3.635,420 2.38,421 1.401,422 1.744,424 3.113,425 1.34,426 2.5,427 1.481,428 3.564,429 2.263,430 1.337,431 1.5,433 2.946,434 1.213,435 2.5,436 1.256,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1.135,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.475,454 1,455 3.328,456 1.957,457 1,458 1.47,460 2.136,461 0.954,462 19.914,463 0.486,464 0.933,465 0.023,466 49.5,467 1.207,468 24,469 0.585,470 25.5,471 0.622,472 41.478,473 1.012,474 45.486,475 0.591,476 44.22,477 1.079,478 9.714,479 0.237,480 10.111,481 0.247,482 0.103,483 0.042,484 0.216,487 0.637,488 1.392,489 0.751,490 1.2,491 0.659,492 1.01,493 0.806,494 1.052,495 0.834,496 0.906,497 0.515,498 0.965,499 0.941,500 1.009,501 1.16,502 1.107,503 0.814,504 1.026,505 1.04,506 1.153,507 1.112,508 1.169,509 1.248,510 1.104,511 0.986,512 0.9,513 0.733,514 0.778,515 1.124,516 0.88,517 0.634,518 1.072,519 0.979,520 1.137,521 0.615,522 1.05,523 0.86,524 1.089,525 0.935,526 1.103,527 1.044,528 1.054,529 0.957,530 0.959,531 0.891,532 0.91,533 1.02,534 0.992,535 8,536 0.383,537 4.889,538 2.375,539 1.667,540 1.285,541 0.932,542 0.785,543 0.463,544 0.371,545 28700,546 85553,547 2.043,548 46.8,549 4,550 25,552 2,553 1,554 2,555 2,558 1.809,559 1.929,560 3.844,561 -0.376,567 126.481,568 1.643,569 3.62,570 4.829,571 5.556,572 5.591,573 5.591,574 3.207,575 4.503,576 5.327,577 4.079,578 3344.88,579 9.431,580 61755.2,585 482.543,586 1.398,587 5.291,588 0.182,589 0.008,590 0.083,591 0.039,592 0.029,593 0.021,594 0.014,595 0.012,596 0.008,597 0.007,598 0.403,599 0.33,600 0.75,601 1.154,602 235.561,603 0.042,604 -0.182,605 0.13,606 -0.076,607 -0.082,608 0.002,609 0.102,610 0.088,611 0.018,612 0.074,613 0.205,614 -0.008,615 -0.075,616 0.062,617 -0.095,618 -0.012,619 -0.017,620 -0.02,621 -0.113,622 -0.143,623 -0.126,624 -0.116,625 -0.111,626 -0.102,627 -0.061,628 0.104,629 0.099,630 0.161,631 -0.1,632 0.09,633 0.089,634 -0.011,635 0.004,636 -0.069,637 0.086,638 -0.037,639 -0.043,640 -0.092,641 -0.039,642 -0.085,643 -0.063,644 -0.047,645 0.006,646 -0.02,647 -0.017,648 -0.004,649 -0.013,650 -0.009,651 4.623,652 6.595,653 0.585,654 55.616,655 1.005,656 1.123,657 2.942,658 8.655,659 0.672,660 3.807,661 4.094,662 4.304,663 4.477,664 4.682,665 4.718,666 4.812,667 4.89,668 4.963,669 5.056,670 9.185,671 0.631,672 598.22,673 3.807,674 5.333,675 6.155,676 7.008,677 7.85,678 8.711,679 9.564,680 10.431,681 11.29,682 12.16,683 3.9,686 2,693 1,699 12,700 1,704 5,706 18,723 1,724 77,726 22,727 2,728 44,730 80,731 31,733 17,734 4,735 8,736 2,739 4,740 4,741 1,751 4,753 20,754 11,756 4,760 1,761 3,763 1,765 2,772 36,773 8,774 1,775 10,776 2,779 3,784 1,785 5,795 1,802 4,818 1,822 1,823 1,828 1,830 1,831 1,832 4,834 1,837 1,840 41,844 1,845 1,846 11,848 1,851 2,861 1,862 6.5,864 1,865 3,866 1,869 21.25,870 13.36,871 9.139,872 4.683,874 2.639,875 1.339,876 0.957,877 11.636,878 10.434,879 4.06,880 4.6,881 5.058,882 5.509,883 5.997,884 6.157,885 6.433,886 6.618,887 6.865,888 7.147,889 0.9,890 61,891 15.499,893 6.761,894 7.858,895 29.202,897 23.971,899 2.358,900 96.694,904 411.989,905 176.696,906 21.428,907 39.149,908 123.141,910 5.807,911 170.888,912 574.278,913 21.428,915 29.851,916 110.046,917 164.379,918 40.531,920 388.446,921 39.149,922 411.989,923 192.317,924 123.141,925 44.956,927 388.446,928 135.683,929 11,931 52.589,932 113.466,933 71.218,935 411.989,936 144.57,937 215.845,939 5.807,940 411.989,941 48.555,942 126.976,944 179.075,945 411.989,946 144.57,947 215.845,949 0.572,950 0.319,951 0.161,952 0.088,953 24,954 11,955 0.175,956 14,958 1,959 5.057,960 391.116,962 24,963 205.66,967 1,968 31.049,969 15.365,970 9.303,972 144.57,973 21.77,974 4.243,978 3.695,980 42.683,981 772.403,982 57,986 -3.706,987 38.113,989 2.057,991 0.19,994 77.363,995 86.464,996 0.262,997 0.578,998 0.771,999 0.887,1000 0.892,1001 0.892,1002 5.286,1003 1.958,1004 6.133,1005 5.729,1006 4.779,1007 5.288,1008 2.511,1009 6.927,1010 4.685,1011 6.477,1012 1.623,1013 7.688,1014 5.184,1015 4.369,1016 5.173,1017 2.283,1018 8.072,1019 4.177,1020 7.788,1021 1.52,1022 9.368,1023 3.897,1024 6.382,1025 7.479,1026 3.67,1027 11.138,1028 6.189,1029 9.146,1030 1.401,1031 11.135,1032 3.765,1033 6.858,1034 8.26,1035 4.117,1036 13.251,1037 6.557,1038 10.549,1039 1.337,1040 12.965,1041 3.113,1042 8.347,1043 10.073,1044 5.207,1045 15.949,1046 8.031,1047 11.985,1048 1,1049 14.842,1050 2.946,1051 9.238,1052 11.263,1053 5.89,1054 18.394,1055 8.812,1056 13.45,1057 1,1058 16.756,1059 2.275,1060 10.54,1061 12.899,1062 6.849,1063 21.015,1064 10.074,1065 3.51,1066 1,1067 18.697,1068 2.275,1069 11.625,1070 14.28,1071 7.625,1072 23.566,1073 11.052,1074 3.016,1075 13.61,1076 20.66,1077 2.136,1078 12.87,1079 15.853,1080 8.526,1081 26.172,1082 12.233,1083 2.548,1084 10.18,1085 22.639,1086 4.758,1087 14.041,1088 17.324,1089 9.342,1090 28.758,1091 13.302,1092 2.512,1093 7.183,1094 24.63,1095 3.968,1096 15.274,1097 18.877,1098 10.216,1099 31.363,1100 14.456,1101 2.427,1102 7.022,1103 26.631,1104 3.471,1105 16.485,1106 20.391,1107 11.051,1108 33.963,1109 15.568,1110 2.232,1111 6.693,1112 28.64,1113 3.41,1114 17.719,1115 21.94,1116 11.912,1117 36.57,1118 16.714,1119 2.136,1120 6.132,1121 30.654,1122 2.923,1123 18.949,1124 23.474,1125 12.755,1126 39.175,1127 17.846,1128 27673,1129 47989,1130 29.296,1131 51.739,1132 64.602,1133 66.336,1134 65.743,1135 64.779,1136 64.443,1137 82.419,1138 8.802,1139 177.916,1140 61.339,1141 5.931,1142 6.725,1143 7.468,1144 5.535,1145 5.51,1146 7.758,1147 3.925,1148 21.573,1149 5.21,1150 20.321,1151 1.468,1152 1.508,1153 1.494,1154 1.472,1155 1.465,1156 1.873,1157 0.2,1158 4.044,1159 1.394,1160 4.104,1161 4.099,1162 4.742,1163 4.082,1164 7.715,1165 4.006,1166 3.993,1167 4.006,1168 3.956,1169 3.95,1170 7.474,1171 3.932,1172 3.822,1173 3.868,1174 3.925,1175 3.738,1176 6.999,1177 3.736,1178 3.802,1179 3.854,1180 3.747,1181 3.627,1182 6.351,1183 3.621,1184 3.699,1185 3.744,1186 3.682,1187 3.559,1188 4.938,1189 3.551,1190 3.665,1191 3.686,1192 3.58,1193 3.54,1194 4.913,1195 3.511,1196 3.423,1197 3.444,1198 3.363,1199 3.294,1200 4.719,1201 3.283,1202 3.327,1203 3.348,1204 3.256,1205 3.156,1206 4.626,1207 3.136,1208 0.112,1209 0.107,1210 0.174,1211 0.101,1212 0.08,1213 4.931,1214 0.108,1215 4.725,1216 0.053,1217 7.666,1218 0.309,1219 4.432,1220 0.073,1221 3.51,1222 4.758,1223 2.341,1224 13.61,1225 3.21,1226 1.996,1227 1.984,1228 2.094,1229 2.075,1230 1.331,1231 2.098,1232 1.955,1233 1.954,1234 1.982,1235 2.032,1236 1.281,1237 2.054,1238 1.814,1239 1.779,1240 1.946,1241 1.967,1242 1.222,1243 1.971,1244 1.744,1245 1.684,1246 1.945,1247 1.92,1248 1.153,1249 1.932,1250 1.68,1251 1.631,1252 1.889,1253 1.856,1254 1.038,1255 1.868,1256 1.577,1257 1.553,1258 1.748,1259 1.759,1260 0.96,1261 1.776,1262 1.366,1263 1.339,1264 1.596,1265 1.555,1266 0.829,1267 1.561,1268 1.236,1269 1.218,1270 1.513,1271 1.463,1272 0.825,1273 1.484,1274 4.489,1276 5.784,1278 7.272,1280 8.845,1282 10.465,1285 6.009,1289 8.974,1290 6.129,1292 5.434,1295 3.786,1300 48.608,1301 126.481,1302 278.746,1303 371.839,1304 427.788,1305 430.543,1306 430.543,1307 111.63,1308 7.795,1309 100.04,1310 108.42,1311 24,1312 12.706,1313 4.524,1314 3.807,1315 75.952,1316 228,1317 229,1318 0.158,1319 306.186,1320 544.35,1321 738.854,1322 26706,1323 1.3,1324 29.081,1325 0.709,1326 0.599,1327 29.831,1328 24.564,1329 19.825,1330 0.451,1331 0.355,1332 13.786,1333 18.052,1334 13.366,1335 10.992,1336 20.902,1337 15.62,1338 17.655,1339 0.299,1340 0.208,1341 19.382,1342 12.279,1343 14.013,1344 0.192,1345 0.126,1346 15.642,1347 9.216,1348 10.832,1349 0.125,1350 0.072,1351 12.076,1352 6.272,1353 8.625,1354 0.081,1355 0.043,1356 9.793,1357 4.574,1358 0.253,1359 134.829,1360 0.185,1361 37.024,1362 0.42,1363 206,1364 629.091,1365 278.905,1366 651.019,1367 856,1368 602,1369 235,1370 549.425,1371 308.717,1372 602.973,1373 872.39,1374 566,1375 8.398} {0 CHEMBL338420,1 1.674,2 13.735,3 4.497,4 20.219,5 128.724,6 8.146,7 0.486,8 4.171,9 4.262,10 3.928,11 3.794,12 5.302,13 3.751,14 4.709,15 4.843,16 4.226,17 4.191,18 6.06,19 4.127,20 5.005,21 5.196,22 4.259,23 4.332,24 6.134,25 4.228,26 5.045,27 5.244,28 4.217,29 4.319,30 6.176,31 4.207,32 5.036,33 5.231,34 4.213,35 4.296,36 6.183,37 4.208,38 5.015,39 5.221,40 4.204,41 4.338,42 6.242,43 4.223,44 5.068,45 5.291,46 4.114,47 4.333,48 6.08,49 4.213,50 5.029,51 5.266,52 4.086,53 4.223,54 6.092,55 4.107,56 0.125,57 0.881,58 13.273,59 6.062,60 26.233,61 6.775,62 0.433,63 1.44,64 21.758,65 10.214,66 82.656,67 12.121,68 0.488,69 1.874,70 35.923,71 14.308,72 92,73 16.658,74 0.577,75 1.863,76 41.077,77 15.274,78 112.401,79 17.555,80 0.638,81 1.782,82 35.542,83 13.65,84 120.999,85 16.29,86 0.664,87 1.859,88 34.456,89 14.237,90 119.789,91 18.178,92 0.419,93 1.861,94 35.757,95 14.888,96 82.316,97 19.358,98 0.423,99 1.81,100 35.381,101 13.989,102 77.587,103 18.218,104 31,105 52,106 0.269,107 0.603,108 0.758,109 0.868,110 0.879,111 0.89,112 3.56,113 1.015,114 -4.61,115 -4.54,116 -4.27,118 44.1,120 5,126 1,133 1,134 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,177 3,180 23,181 1,186 7,191 5,194 22,195 1,198 11,203 5,206 18,207 1,210 8,215 3,218 21,219 1,222 8,227 2,229 22,230 2,234 9,239 4,242 17,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 7,262 2,264 5,267 7,268 2,270 2146,271 22.609,272 22.609,273 22.609,274 22.609,275 22.609,276 19.73,277 15.278,278 13.448,279 22.914,280 18.308,281 18.308,282 18.308,283 18.308,284 18.308,285 13.954,286 8.345,287 6.456,288 18.833,289 4.209,290 2.129,291 1.162,292 0.475,293 0.407,294 0.339,295 4.253,300 1,301 992,302 4.528,305 85.928,306 352.036,309 155.668,313 2.135,314 49.859,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 74.5,326 467,327 4.853,328 4.686,329 7.308,330 4.318,331 3.396,332 4.7,333 2.341,334 12.511,335 3.132,336 4.44,337 3.596,338 6.529,339 4.084,340 3.088,341 4.07,343 10.31,344 3.049,345 4.174,346 3.247,347 6.222,348 3.856,349 2.863,350 3.692,352 9.381,353 2.838,354 3.837,355 2.97,356 5.312,357 3.361,358 2.408,359 3.395,361 6.648,362 2.289,363 3.601,364 2.874,365 5.184,366 3.237,367 2.232,368 3.016,370 6.283,371 2.219,372 3.549,373 2.302,374 5.024,375 3.191,376 2.209,377 2.71,379 5.827,380 2.164,381 3.2,382 2.104,383 4.659,384 2.908,385 1.94,386 2.361,388 5.184,389 1.871,390 3.06,391 1.894,392 4.597,393 2.597,394 1.61,395 2.252,397 4.515,398 1.586,399 2.929,400 1.8,401 4.432,402 2.535,403 1.547,404 2.049,406 4.341,407 1.525,408 2.847,409 1.663,410 4.13,411 2.48,412 1.491,413 1.934,415 3.732,416 1.464,417 2.719,418 1.462,419 3.564,420 2.371,421 1.393,422 1.742,424 2.946,425 1.358,426 2.5,427 1.128,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.309,438 1.957,439 1,440 1.5,442 2.136,443 0.954,444 2.231,445 1,446 3.247,447 1.859,448 0.864,449 1.115,451 2.057,452 0.857,453 1.659,454 0.743,455 3.185,456 1.435,457 0.434,458 0.509,460 1.099,461 0.434,462 16.252,463 0.478,464 0.943,465 0.028,466 44.5,467 1.309,468 24,469 0.706,470 20.5,471 0.603,472 29.494,473 0.867,474 36.548,475 0.619,476 37.047,477 1.09,478 8.596,479 0.253,480 7.719,481 0.227,482 0.1,483 0.051,484 0.277,486 1,487 0.554,488 1.038,489 0.792,490 1.112,491 0.631,492 0.907,493 0.48,494 1.022,495 0.857,496 1.034,497 0.459,498 1.029,499 0.905,500 1.016,501 1.105,502 1.069,503 0.852,504 1.052,505 0.969,506 0.96,507 1.245,508 1.14,509 0.98,510 1.052,511 1.001,512 0.835,513 0.912,514 0.891,515 1.088,516 0.996,517 0.42,518 0.869,519 0.882,520 1.007,521 0.393,522 1.066,523 0.581,524 0.916,525 0.824,526 0.991,527 0.591,528 1.082,529 0.659,530 0.981,531 0.76,532 0.958,533 0.6,534 1.022,535 8,536 0.281,537 4,538 2.667,539 1.417,540 1.23,541 0.718,542 0.718,543 0.4,544 0.4,545 16986,546 55435,547 2.052,548 42.4,549 4,550 11,552 2,553 2,554 2,555 4,558 1.761,559 1.915,560 3.708,561 0.177,567 98.768,568 1.674,569 3.754,570 4.721,571 5.408,572 5.476,573 5.544,574 3.187,575 4.337,576 5.054,577 3.9,578 2188.05,579 8.874,580 34110,585 347.076,586 1.533,587 5.01,588 0.216,589 0.009,590 0.077,591 0.052,592 0.029,593 0.025,594 0.014,595 0.015,596 0.009,597 0.011,598 0.458,599 0.17,600 0.88,601 1.304,602 183.523,603 0.027,604 -0.012,605 0.161,607 -0.087,608 0.057,609 0.207,610 -0.036,611 0.002,612 -0.039,613 0.212,614 -0.074,615 -0.098,616 -0.034,617 -0.084,618 -0.029,619 -0.057,620 -0.055,621 -0.11,622 -0.039,623 -0.13,624 -0.058,625 -0.089,626 -0.041,627 -0.132,628 -0.012,629 -0.042,630 0.027,631 -0.162,632 -0.027,633 0.2,634 0.048,635 0.001,636 -0.04,637 0.202,638 -0.052,639 0.009,640 -0.079,641 -0.009,642 -0.077,643 -0.005,644 -0.061,645 0.024,646 -0.107,647 0.096,648 -0.051,649 0.04,650 -0.005,651 4.671,652 5.714,653 0.618,654 42.007,655 1.012,656 1.12,657 3.385,658 11.456,659 0.687,660 3.638,661 3.97,662 4.19,663 4.443,664 4.654,665 4.771,666 4.934,667 5.075,668 5.147,669 5.288,670 7.946,671 0.658,672 480.6,673 3.638,674 5.187,675 6.023,676 6.905,677 7.763,678 8.652,679 9.522,680 10.416,681 11.293,682 12.19,683 3.4,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 59,726 22,727 2,728 37,730 62,731 26,733 17,734 5,735 7,736 2,739 4,740 5,748 3,751 6,753 20,754 6,756 4,760 1,761 3,763 1,765 2,770 1,772 25,773 7,774 2,775 8,776 1,779 2,784 0.75,785 4,795 1,801 1,802 3,805 1,818 1,822 1,823 1,830 1,832 3,834 1,838 1,840 34,844 1,845 1,846 5,847 1,850 1,861 1,862 6.8,864 1,865 3,869 17.75,870 10.293,871 7.375,872 3.518,874 3.03,875 1.383,876 0.98,877 7.332,878 10.938,879 3.932,880 4.538,881 5.019,882 5.543,883 6.053,884 6.287,885 6.625,886 6.897,887 7.163,888 7.517,889 1,890 51,891 12.897,893 5.866,894 8.076,895 23.781,897 20.053,899 2.576,900 87.583,904 270.735,905 158.847,906 33.191,908 112.141,909 14.96,910 5.807,911 153.039,912 382.877,913 48.151,915 12.673,916 116.975,917 153.379,918 44.694,919 14.96,920 247.193,922 270.735,923 186.23,924 127.101,925 5.807,927 238.611,928 159.226,931 47.172,932 112.796,933 32.069,935 285.695,936 145.332,937 158.847,939 5.807,940 270.735,941 40.182,942 112.857,943 16.405,944 143.887,945 270.735,946 160.292,947 158.847,949 0.583,950 0.32,951 0.166,952 0.091,953 24,954 11,955 0.145,956 9,957 1,958 1.095,959 4.466,960 312.772,961 0.095,962 21,963 166.974,967 1,968 23.972,969 10.399,970 6.051,972 160.292,973 18.154,974 4.211,978 3.596,980 59.088,981 589.874,982 50,986 -3.754,987 36.279,989 2.033,991 0.152,994 59.705,995 66.076,996 0.285,997 0.638,998 0.803,999 0.919,1000 0.931,1001 0.942,1002 5.173,1003 1.61,1004 6.033,1005 5.184,1006 4.654,1007 5.226,1008 2.258,1009 6.862,1010 4.599,1011 6.403,1012 1.547,1013 7.607,1014 4.515,1015 4.369,1016 5.215,1017 2.243,1018 7.997,1019 4.236,1020 7.739,1021 1.491,1022 9.296,1023 4.341,1024 6.301,1025 7.48,1026 3.628,1027 11.037,1028 6.171,1029 9.117,1030 1.393,1031 11.056,1032 3.732,1033 6.836,1034 8.297,1035 4.112,1036 13.038,1037 6.613,1038 10.532,1039 1,1040 12.867,1041 2.946,1042 8.283,1043 10.092,1044 5.201,1045 15.673,1046 8.053,1047 11.974,1048 1,1049 14.714,1050 2.275,1051 9.186,1052 11.282,1053 5.889,1054 17.991,1055 8.862,1056 13.439,1057 0.864,1058 16.588,1059 2.136,1060 10.458,1061 12.905,1062 6.849,1063 20.52,1064 10.107,1065 3.396,1066 0.434,1067 18.483,1068 2.057,1069 11.524,1070 14.271,1071 7.625,1072 22.954,1073 11.086,1074 3.088,1075 12.511,1076 20.393,1077 1.099,1078 12.736,1079 15.828,1080 8.526,1081 25.46,1082 12.252,1083 2.863,1084 10.31,1085 22.317,1086 4.7,1087 13.874,1088 17.278,1089 9.342,1090 27.939,1091 13.309,1092 2.408,1093 9.381,1094 24.25,1095 4.07,1096 15.069,1097 18.814,1098 10.216,1099 30.445,1100 14.445,1101 2.232,1102 6.648,1103 26.191,1104 3.692,1105 16.24,1106 20.306,1107 11.051,1108 32.944,1109 15.537,1110 2.209,1111 6.283,1112 28.14,1113 3.395,1114 17.434,1115 21.837,1116 11.912,1117 35.454,1118 16.662,1119 1.94,1120 5.827,1121 30.093,1122 3.016,1123 18.621,1124 23.351,1125 12.755,1126 37.965,1127 17.771,1128 16392,1129 29795,1130 24.444,1131 40.551,1132 55.657,1133 57.299,1134 56.571,1135 55.353,1136 55.147,1137 73.309,1138 4.682,1139 158.953,1140 53.672,1141 5.778,1142 6.686,1143 7.11,1144 5.378,1145 5.396,1146 7.7,1147 3.925,1148 19.876,1149 5.132,1150 18.048,1151 1.504,1152 1.549,1153 1.529,1154 1.496,1155 1.49,1156 1.981,1157 0.127,1158 4.296,1159 1.451,1160 4.12,1161 4.126,1162 4.736,1163 4.088,1164 8.201,1165 4.037,1166 4.003,1167 4.003,1168 3.995,1169 3.975,1170 7.717,1171 3.933,1172 3.865,1173 3.903,1174 3.799,1175 3.783,1176 7.474,1177 3.782,1178 3.7,1179 3.745,1180 3.72,1181 3.566,1182 6.999,1183 3.556,1184 3.644,1185 3.649,1186 3.583,1187 3.537,1188 6.351,1189 3.492,1190 3.458,1191 3.472,1192 3.397,1193 3.343,1194 4.922,1195 3.325,1196 3.282,1197 3.313,1198 3.174,1199 3.115,1200 4.721,1201 3.114,1202 3.012,1203 3.063,1204 2.88,1205 2.856,1206 4.583,1207 2.851,1208 0.131,1209 0.127,1210 0.198,1211 0.117,1212 0.092,1213 4.853,1214 0.127,1215 4.686,1216 0.063,1217 7.308,1218 0.338,1219 4.318,1220 0.085,1221 3.396,1222 4.7,1223 2.341,1224 12.511,1225 3.132,1226 1.981,1227 1.962,1228 2.074,1229 2.048,1230 1.294,1231 2.063,1232 1.952,1233 1.96,1234 1.965,1235 2.027,1236 1.227,1237 2.058,1238 1.796,1239 1.764,1240 1.925,1241 1.896,1242 1.184,1243 1.905,1244 1.678,1245 1.629,1246 1.887,1247 1.855,1248 1.091,1249 1.868,1250 1.62,1251 1.585,1252 1.799,1253 1.792,1254 0.981,1255 1.808,1256 1.345,1257 1.336,1258 1.537,1259 1.541,1260 0.698,1261 1.533,1262 1.309,1263 1.305,1264 1.312,1265 1.465,1266 0.514,1267 1.508,1268 1.046,1269 1.002,1270 1.181,1271 1.261,1272 0.508,1273 1.272,1274 4.317,1276 5.645,1277 2.398,1278 7.155,1279 4.727,1280 8.749,1281 6.823,1282 10.39,1286 13.168,1289 8.913,1290 2.38,1291 2.74,1294 -0.29,1300 38.794,1301 98.768,1302 221.473,1303 278.547,1304 319.076,1305 323.076,1306 327.076,1307 90.756,1308 7.907,1309 96.36,1310 104.74,1311 23,1312 12.718,1313 4.524,1314 3.807,1315 56.864,1316 163,1317 168,1318 0.171,1319 240.299,1320 428.92,1321 578.09,1322 30163,1323 1.7,1324 24.131,1325 0.71,1326 0.567,1327 23.511,1328 19.263,1329 16.315,1330 0.441,1331 0.338,1332 11.055,1333 15.037,1334 10.717,1335 8.84,1336 16.742,1337 12.524,1338 15.32,1339 0.295,1340 0.193,1341 15.999,1342 10.023,1343 11.818,1344 0.182,1345 0.113,1346 12.512,1347 7.348,1348 9.774,1349 0.116,1350 0.065,1351 10.648,1352 5.43,1353 7.716,1354 0.074,1355 0.036,1356 8.401,1357 3.781,1358 0.271,1359 110,1360 0.202,1361 31.676,1362 0.46,1363 178,1364 594.306,1365 230.555,1366 570.992,1367 752.25,1368 524,1369 206,1370 503.934,1371 264.129,1372 542.514,1373 783.29,1374 509,1375 9} {0 CHEMBL338546,1 1.741,2 12.5,3 3.79,4 14.363,5 109.798,6 8.294,7 0.414,8 4.002,9 4.097,10 3.784,11 3.6,12 5.109,13 3.541,14 4.529,15 4.678,16 4.036,17 3.959,18 5.893,19 3.867,20 4.808,21 5.012,22 4.037,23 4.084,24 5.907,25 3.951,26 4.827,27 5.033,28 3.909,29 4.022,30 5.959,31 3.894,32 4.815,33 5.035,34 3.909,35 4.001,36 5.873,37 3.865,38 4.833,39 5.073,40 3.928,41 3.998,42 5.903,43 3.851,44 4.804,45 5.066,46 3.847,47 3.97,48 5.743,49 3.809,50 4.763,51 4.992,52 3.921,53 3.905,54 5.921,55 3.785,56 0.121,57 0.708,58 12.072,59 5.21,60 23.808,61 6.04,62 0.437,63 1.101,64 20.134,65 8.641,66 80.083,67 10.572,68 0.45,69 1.344,70 35.413,71 12.185,72 79.139,73 14.522,74 0.564,75 1.34,76 35.516,77 11.692,78 99.891,79 13.841,80 0.537,81 1.328,82 34.721,83 11.35,84 97.563,85 13.881,86 0.604,87 1.343,88 33.031,89 11.278,90 95.567,91 14.867,92 0.397,93 1.343,94 33.257,95 11.492,96 59.646,97 15.149,98 0.506,99 1.239,100 36.323,101 11.041,102 84.182,103 13.235,104 31,105 38,106 0.292,107 0.631,108 0.791,109 0.88,110 0.88,111 0.88,112 3.373,113 1.118,114 -3.67,115 -3.64,116 -3.46,118 39.2,120 5,124 1,133 1,134 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 3,175 3,177 2,180 13,181 1,186 7,191 4,194 13,195 1,198 9,203 4,206 8,207 1,210 5,215 3,218 8,219 1,222 6,227 4,229 7,230 2,234 7,237 1,239 4,242 5,243 2,247 6,248 1,252 3,255 7,256 1,258 3,259 5,262 1,264 1,265 1,267 9,270 1412,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.186,277 13.695,278 11.287,279 18.782,280 14.316,281 14.316,282 14.316,283 14.316,284 14.316,285 10.994,286 8.276,287 5.37,288 14.987,289 3.931,290 1.918,291 0.961,292 0.431,293 0.431,294 0.431,295 4.038,297 1,299 1,300 1,301 713,302 4.637,306 231.288,313 1.714,314 39.799,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.76,325 61.333,326 350,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 4.2,337 3.596,338 6.134,339 3.832,340 2.835,341 3.729,343 9.024,344 2.825,345 3.835,346 2.982,347 5.149,348 3.313,349 2.401,350 3.393,352 6.32,353 2.219,354 3.551,355 2.898,356 4.733,357 3.237,358 2.232,359 2.733,361 5.188,362 2.159,363 3.393,364 2.09,365 4.661,366 2.921,367 1.942,368 2.685,370 4.793,371 1.899,372 3.084,373 1.948,374 4.508,375 2.624,376 1.683,377 2.292,379 4.689,380 1.544,381 2.736,382 1.744,383 3.664,384 2.454,385 1.467,386 1.799,388 3.116,389 1.418,390 2.584,391 1.485,392 3.563,393 2.365,394 1.39,395 1.57,397 2.941,398 1.342,399 2.5,400 1.202,401 3.414,402 2,403 1.014,404 1.5,406 2.304,407 1,408 2.5,409 1.011,410 3.366,411 1.996,412 1,413 1.5,415 2.275,416 0.992,417 2.276,418 1,419 3.247,420 1.954,421 1,422 1.209,424 2.136,425 0.951,426 1.634,427 1,428 3.032,429 1.458,430 0.478,431 0.519,433 1.047,434 0.464,435 1.208,436 0.646,437 2.666,438 1.048,439 0.066,440 0.071,442 0.147,443 0.064,444 1.119,445 0.444,446 2.517,447 0.592,448 -0.225,449 -0.282,451 -0.494,452 -0.149,453 1,454 0.224,455 2.231,456 0.34,457 -0.665,458 -0.736,460 -1.545,461 -0.655,462 13.681,463 0.489,464 0.704,465 0.025,466 34.5,467 1.232,468 18,469 0.643,470 16.5,471 0.589,472 23.878,473 0.853,474 31.319,475 0.614,476 26.328,477 0.94,478 6.612,479 0.236,480 6.769,481 0.242,482 0.15,483 0.061,484 0.183,487 0.589,488 1.282,489 0.74,490 1.167,491 0.683,492 0.965,493 0.489,494 1.145,495 0.804,496 1.028,497 0.457,498 1.062,499 0.916,500 1.067,501 1.072,502 1.088,503 0.871,504 1.019,505 1.161,506 1.068,507 1.105,508 1.081,509 1.176,510 1.075,511 1.001,512 1.046,513 0.786,514 0.93,515 1.072,516 1.04,517 0.608,518 1.022,519 0.706,520 0.926,521 0.641,522 1.042,523 0.546,524 0.946,525 0.718,526 0.898,527 0.471,528 0.932,529 1.058,530 0.998,531 1.014,532 1.044,533 1.005,534 0.898,535 6,536 0.136,537 3.333,538 1.563,539 0.853,540 0.618,541 0.344,542 0.443,543 0.395,544 0.234,545 9901,546 35641,547 1.947,548 45.1,549 6,550 9,552 2,553 2,554 2,555 2,558 1.711,559 1.816,560 3.584,561 0.282,563 1,567 88.813,568 1.741,569 3.755,570 4.711,571 5.241,572 5.241,573 5.241,574 2.999,575 4.307,576 4.778,577 3.776,578 1427.27,579 8.31,580 20293.6,582 1,584 1,585 289.294,586 1.496,587 4.724,588 0.207,589 0.005,590 0.088,591 0.042,592 0.026,593 0.02,594 0.011,595 0.015,596 0.012,597 0.008,598 0.434,599 0.33,600 0.88,601 1.474,602 143.954,603 0.033,604 -0.068,605 0.129,606 -0.034,607 -0.106,608 0.031,609 0.258,610 -0.029,611 0.011,612 -0.033,613 0.273,614 -0.093,615 -0.088,616 -0.056,617 -0.059,618 -0.029,619 -0.042,620 -0.008,621 -0.183,622 -0.069,623 -0.163,624 -0.08,625 -0.141,626 -0.1,627 -0.125,628 -0.061,629 -0.006,630 -0.004,631 -0.135,632 -0.07,633 0.117,634 -0.064,635 0.092,636 -0.043,637 0.057,638 -0.052,639 0.067,640 0.035,641 0.12,642 0.037,643 0.066,644 0.079,645 -0.077,646 -0.014,647 0.023,648 -0.002,649 -0.022,650 0.096,651 4.492,652 5.298,653 0.429,654 29.031,655 1.012,656 1.123,657 2.441,658 5.957,659 0.681,660 3.401,661 3.664,662 3.784,663 3.892,664 4.025,665 3.97,666 3.932,667 3.892,668 3.871,669 3.85,670 7.446,671 0.641,672 422.97,673 3.401,674 4.905,675 5.694,676 6.529,677 7.34,678 8.181,679 9.001,680 9.846,681 10.672,682 11.519,683 3.9,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 51,726 16,727 1,728 29,730 52,731 20,733 11,734 2,735 4,736 2,739 2,740 2,741 1,751 5,753 14,754 6,756 4,760 1,761 3,763 1,765 2,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,822 1,823 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 6,847 1,861 1,862 7.8,864 1,865 3,869 15.417,870 8.71,871 6.319,872 3.032,874 1.902,875 1.29,876 0.934,877 8.807,878 8.464,879 3.689,880 4.234,881 4.615,882 5.024,883 5.461,884 5.49,885 5.567,886 5.384,887 5.455,888 5.574,889 1,890 37,891 10.567,893 4.582,894 8.102,895 19.426,897 15.526,899 2.602,900 72.861,903 1,904 247.193,905 117.347,906 33.191,907 39.149,908 112.141,910 5.807,911 111.539,912 398.483,913 33.191,915 14.778,916 88.546,917 153.379,918 29.517,920 223.651,921 39.149,922 247.193,923 144.73,924 112.141,925 44.956,927 223.651,928 135.683,931 49.278,932 69.19,933 71.218,935 247.193,936 145.332,937 156.495,939 5.807,940 247.193,941 27.111,942 84.429,943 16.405,944 168.075,945 247.193,946 145.332,947 156.495,949 0.568,950 0.303,951 0.146,952 0.078,953 14,954 7,955 0.212,956 11,958 1,959 4.02,960 212.471,962 12,963 128.606,967 1,968 22.252,969 11.082,970 7.857,972 145.332,973 13.222,974 4.119,978 1.611,980 59.088,981 549.02,982 39,986 -3.576,987 35.248,989 2.008,991 0.22,994 51.633,995 57.265,996 0.307,997 0.662,998 0.831,999 0.924,1000 0.924,1001 0.924,1002 4.89,1003 1.39,1004 5.68,1005 3.116,1006 4.344,1007 4.92,1008 2.258,1009 6.447,1010 4.253,1011 6.101,1012 1.014,1013 7.225,1014 2.941,1015 4.007,1016 4.924,1017 2.243,1018 7.644,1019 3.783,1020 7.427,1021 1,1022 8.898,1023 2.304,1024 5.943,1025 7.162,1026 3.628,1027 10.616,1028 5.738,1029 8.801,1030 1,1031 10.658,1032 2.275,1033 6.463,1034 8.026,1035 4.112,1036 12.714,1037 6.104,1038 10.217,1039 0.478,1040 12.479,1041 2.136,1042 7.912,1043 9.804,1044 5.201,1045 15.328,1046 7.553,1047 11.664,1048 0.066,1049 14.342,1050 1.047,1051 8.817,1052 11.041,1053 5.889,1054 17.71,1055 8.31,1056 13.136,1057 -0.225,1058 16.237,1059 0.147,1060 10.093,1061 12.66,1062 6.849,1063 20.242,1064 9.551,1065 3.374,1066 -0.665,1067 18.154,1068 -0.494,1069 11.168,1070 14.064,1071 7.625,1072 22.711,1073 10.492,1074 2.835,1075 12.404,1076 20.087,1077 -1.545,1078 12.387,1079 15.628,1080 8.526,1081 25.227,1082 11.647,1083 2.401,1084 9.024,1085 22.032,1086 4.697,1087 13.536,1088 17.107,1089 9.342,1090 27.726,1091 12.674,1092 2.232,1093 6.32,1094 23.986,1095 3.729,1096 14.739,1097 18.654,1098 10.216,1099 30.24,1100 13.794,1101 1.942,1102 5.188,1103 25.947,1104 3.393,1105 15.92,1106 20.167,1107 11.051,1108 32.749,1109 14.861,1110 1.683,1111 4.793,1112 27.913,1113 2.733,1114 17.123,1115 21.71,1116 11.912,1117 35.264,1118 15.969,1119 1.467,1120 4.689,1121 29.883,1122 2.685,1123 18.319,1124 23.239,1125 12.755,1126 37.779,1127 17.056,1128 9994,1129 19144,1130 18.663,1131 34.71,1132 42,1133 43.603,1134 42.725,1135 42.061,1136 41.763,1137 55.393,1138 4.682,1139 112.767,1140 39.877,1141 5.781,1142 6.683,1143 7.095,1144 5.337,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 15.897,1151 1.448,1152 1.504,1153 1.473,1154 1.45,1155 1.44,1156 1.91,1157 0.161,1158 3.889,1159 1.375,1160 4.076,1161 4.058,1162 4.735,1163 4.064,1164 7.717,1165 3.976,1166 3.932,1167 3.962,1168 3.925,1169 3.857,1170 7.474,1171 3.852,1172 3.706,1173 3.753,1174 3.872,1175 3.596,1176 6.999,1177 3.569,1178 3.678,1179 3.71,1180 3.592,1181 3.56,1182 6.351,1183 3.527,1184 3.527,1185 3.539,1186 3.449,1187 3.403,1188 4.932,1189 3.377,1190 3.321,1191 3.349,1192 3.221,1193 3.141,1194 4.904,1195 3.136,1196 3.032,1197 3.078,1198 3.143,1199 2.818,1200 4.339,1201 2.827,1202 2.854,1203 2.925,1204 2.886,1205 2.735,1206 4.263,1207 2.715,1208 0.167,1209 0.161,1210 0.251,1211 0.148,1212 0.116,1213 4.844,1214 0.162,1215 4.683,1216 0.081,1217 7.293,1218 0.428,1219 4.291,1220 0.106,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.956,1227 1.965,1228 2.053,1229 2.036,1230 1.33,1231 2.07,1232 1.911,1233 1.88,1234 1.954,1235 1.999,1236 1.211,1237 2.02,1238 1.689,1239 1.641,1240 1.891,1241 1.858,1242 1.135,1243 1.869,1244 1.623,1245 1.58,1246 1.844,1247 1.805,1248 0.967,1249 1.827,1250 1.424,1251 1.429,1252 1.546,1253 1.598,1254 0.719,1255 1.619,1256 1.247,1257 1.221,1258 1.331,1259 1.46,1260 0.588,1261 1.475,1262 0.974,1263 0.927,1264 1.181,1265 1.224,1266 0.413,1267 1.237,1268 0.886,1269 0.821,1270 1.126,1271 1.062,1272 0.218,1273 1.107,1274 4.078,1276 5.352,1278 6.808,1280 8.347,1282 9.933,1285 5.792,1289 8.751,1290 2.874,1291 2.592,1300 32.711,1301 88.813,1302 191.48,1303 240.274,1304 267.294,1305 267.294,1306 267.294,1307 87.883,1308 6.562,1309 96.36,1310 104.74,1311 12,1312 12.084,1313 4.087,1314 3.459,1315 61.939,1316 124,1317 120,1318 0.235,1319 213.449,1320 377.8,1321 512.575,1322 5567,1323 2,1324 20.408,1325 0.729,1326 0.604,1327 21.158,1328 16.917,1329 13.382,1330 0.461,1331 0.373,1332 9.015,1333 11.885,1334 8.68,1335 7.207,1336 14.492,1337 10.809,1338 12.028,1339 0.317,1340 0.221,1341 13.759,1342 8.416,1343 8.69,1344 0.202,1345 0.135,1346 10.086,1347 5.786,1348 6.413,1349 0.134,1350 0.08,1351 7.446,1352 3.829,1353 4.88,1354 0.089,1355 0.05,1356 5.833,1357 2.731,1358 0.378,1359 94.759,1360 0.231,1361 27.368,1362 0.618,1363 134,1364 454.398,1365 197.911,1366 486.9,1367 624.7,1368 444,1369 148,1370 382.182,1371 210.974,1372 432.067,1373 615.42,1374 404,1375 7.62} {0 CHEMBL338588,1 1.52,2 14.857,3 5.646,4 31.881,5 140.652,6 7.354,7 0.486,8 4.261,9 4.368,10 3.928,11 3.867,12 5.333,13 3.802,14 4.794,15 4.961,16 4.197,17 4.241,18 6.044,19 4.152,20 5.041,21 5.228,22 4.295,23 4.423,24 6.079,25 4.298,26 5.175,27 5.377,28 4.292,29 4.458,30 6.268,31 4.328,32 5.242,33 5.45,34 4.162,35 4.432,36 6.358,37 4.295,38 5.217,39 5.491,40 4.095,41 4.388,42 6.108,43 4.214,44 5.106,45 5.348,46 4.006,47 4.287,48 6.126,49 4.147,50 4.997,51 5.241,52 3.985,53 4.196,54 6.034,55 4.072,56 0.099,57 0.913,58 17.13,59 6.962,60 20.816,61 8.644,62 0.42,63 1.458,64 27.814,65 11.528,66 79.99,67 14.897,68 0.246,69 1.824,70 37.982,71 15.369,72 57.555,73 19.203,74 0.322,75 2.048,76 49.147,77 17.901,78 80.107,79 21.856,80 0.62,81 2.094,82 45.18,83 16.178,84 128.52,85 20.759,86 0.331,87 2.07,88 49.199,89 18.011,90 71.836,91 24.141,92 0.398,93 1.813,94 40.736,95 15.025,96 85.149,97 19.952,98 0.237,99 1.619,100 34.598,101 13.552,102 59.496,103 18.401,104 55,105 51,106 0.239,107 0.564,108 0.739,109 0.815,110 0.841,111 0.841,112 3.588,113 1.066,114 -4.65,115 -4.56,116 -4.29,118 41.8,119 3,120 4,124 1,133 1,134 1,140 8,141 6,142 1,143 2,154 1,163 1,167 1,168 22,169 1,171 1,172 3,175 3,177 2,180 26,181 1,186 7,191 4,194 26,195 1,198 13,203 7,206 21,207 1,210 8,215 4,218 17,219 1,222 10,227 3,229 18,230 2,234 8,239 3,242 16,243 3,247 6,248 1,252 5,255 17,256 3,258 1,259 5,262 1,264 5,267 14,268 1,270 2317,271 22.921,272 22.921,273 22.921,274 22.921,275 22.921,276 19.936,277 16.566,278 13.691,279 23.139,280 18.258,281 18.258,282 18.258,283 18.258,284 18.258,285 13.765,286 11.769,287 6.49,288 18.631,289 4.546,290 2.482,291 1.366,292 0.885,293 0.72,294 0.72,295 4.266,300 1,301 1079,302 4.743,306 426.936,313 2.18,314 39.989,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 75,326 520,327 4.92,328 4.728,329 7.495,330 4.401,331 3.476,332 4.785,333 2.341,334 13.262,335 3.195,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 4.078,346 3.039,347 5.869,348 3.623,349 2.63,350 3.709,352 8.022,353 2.605,354 3.908,355 2.821,356 5.414,357 3.51,358 2.513,359 3.47,361 7.103,362 2.505,363 3.555,364 2.696,365 5.134,366 3.237,367 2.232,368 2.922,370 6.125,371 2.219,372 3.53,373 2.192,374 4.95,375 3.112,376 2.124,377 2.709,379 5.529,380 2.098,381 3.307,382 2.152,383 4.879,384 2.923,385 1.926,386 2.578,388 5.225,389 1.92,390 3.232,391 2.147,392 4.659,393 2.879,394 1.879,395 2.481,397 5.184,398 1.879,399 3.051,400 1.91,401 4.149,402 2.624,403 1.633,404 2.227,406 3.816,407 1.615,408 2.721,409 1.543,410 3.749,411 2.382,412 1.401,413 1.75,415 2.947,416 1.369,417 2.5,418 1.429,419 3.564,420 2.133,421 1.17,422 1.5,424 2.589,425 1.122,426 2.5,427 1.129,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.317,436 1,437 3.314,438 1.957,439 1,440 1.285,442 2.136,443 0.954,444 2.196,445 1,446 3.247,447 1.835,448 0.843,449 1.077,451 1.999,452 0.832,453 1.39,454 0.82,455 3.179,456 1.21,457 0.221,458 0.243,460 0.515,461 0.216,462 16.967,463 0.485,464 1.002,465 0.029,466 44.25,467 1.264,468 24,469 0.686,470 20.25,471 0.579,472 33.23,473 0.949,474 38.233,475 0.571,476 36.889,477 1.054,478 8.576,479 0.245,480 8.093,481 0.231,482 0.167,483 0.049,484 0.265,487 0.586,488 1.199,489 0.878,490 1.176,491 0.697,492 0.997,493 0.457,494 0.985,495 0.85,496 0.956,497 0.439,498 0.948,499 0.891,500 1.091,501 1.075,502 1.093,503 0.915,504 1.069,505 0.998,506 1.23,507 1.376,508 1.335,509 0.966,510 1.112,511 1.562,512 1.057,513 1.178,514 0.987,515 1.605,516 1.169,517 0.557,518 0.94,519 0.936,520 0.98,521 0.48,522 0.911,523 1.011,524 0.936,525 0.954,526 0.932,527 1.023,528 0.985,529 0.771,530 0.98,531 0.708,532 0.892,533 0.746,534 0.932,535 8,536 0.293,537 4.222,538 3.438,539 1.498,540 1,541 0.647,542 0.635,543 0.406,544 0.268,545 18807,546 52460,547 1.971,548 47.8,549 13,550 11,552 2,553 2,554 2,555 2,558 1.765,559 1.818,560 3.777,561 0.134,567 101.822,568 1.52,569 3.584,570 4.7,571 5.181,572 5.346,573 5.346,574 3.196,575 4.615,576 5.101,577 4.031,578 2398.58,579 8.941,580 39932.5,585 406.428,586 1.608,587 5.037,588 0.216,589 0.01,590 0.083,591 0.065,592 0.028,593 0.023,594 0.015,595 0.015,596 0.01,597 0.007,598 0.472,599 0.17,600 0.75,601 1.344,602 193.281,603 0.059,604 -0.031,605 0.169,606 -0.01,607 -0.119,608 0.04,609 0.31,610 0.102,611 0.091,612 0.075,613 0.288,614 0.054,615 -0.075,616 -0.043,617 -0.037,618 -0.014,619 -0.093,620 -0.054,621 -0.062,622 -0.189,623 -0.158,624 -0.181,625 -0.001,626 -0.093,627 -0.297,628 -0.053,629 -0.273,630 -0.077,631 -0.281,632 -0.231,633 0.051,634 0.029,635 0.089,636 0.037,637 0.081,638 0.112,639 -0.09,640 0.029,641 -0.047,642 0.004,643 -0.07,644 -0.003,645 0.028,646 -0.038,647 0.111,648 0.011,649 0.051,650 0.06,651 4.51,652 5.882,653 0.514,654 42.731,655 0.998,656 1.119,657 3.415,658 11.664,659 0.67,660 3.638,661 3.951,662 4.143,663 4.382,664 4.466,665 4.522,666 4.511,667 4.595,668 4.575,669 4.635,670 8.768,671 0.627,672 492.69,673 3.638,674 5.176,675 5.999,676 6.874,677 7.714,678 8.598,679 9.445,680 10.334,681 11.186,682 12.079,683 3,685 1,693 1,699 10,700 1,704 7,706 18,724 67,726 22,727 2,728 37,730 69,731 28,733 17,734 6,735 6,736 2,739 3,740 3,745 3,751 4,753 20,754 8,756 4,760 1,761 3,763 1,765 2,772 32,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 3,840 35,844 1,845 1,846 5,847 1,862 6,864 1,865 3,869 19.25,870 12.733,871 7.736,872 4.017,874 3.025,875 1.406,876 0.954,877 9.114,878 10.483,879 3.932,880 4.538,881 5.012,882 5.553,883 5.971,884 6.165,885 6.345,886 6.587,887 6.727,888 7.002,889 0.9,890 53,891 13.2,893 5.714,894 7.898,895 24.75,897 20.111,899 2.398,900 83.917,904 353.133,905 172.668,906 33.191,908 112.141,910 5.807,911 166.86,912 465.274,913 33.191,914 26.476,915 12.244,916 107.499,917 153.379,918 41.945,920 329.591,922 353.133,923 200.051,924 112.141,925 5.807,927 329.591,928 135.683,931 73.219,932 100.57,933 32.069,935 353.133,936 145.332,937 172.668,939 5.807,940 353.133,941 37.003,942 129.857,943 16.405,944 128.927,945 353.133,946 145.332,947 172.668,949 0.579,950 0.321,951 0.173,952 0.083,953 21,954 11,955 0.159,956 11,958 1,959 4.522,960 307.746,962 18,963 167.525,967 1,968 26.5,969 12.037,970 7.437,972 145.332,973 19.135,974 4.211,978 5.879,980 59.088,981 671.132,982 50,986 -3.593,987 36.587,989 2.051,991 0.204,994 66.843,995 74.982,996 0.251,997 0.591,998 0.775,999 0.854,1000 0.881,1001 0.881,1002 5.162,1003 1.879,1004 6.009,1005 5.225,1006 4.635,1007 5.226,1008 2.258,1009 6.836,1010 4.592,1011 6.398,1012 1.633,1013 7.585,1014 5.184,1015 4.369,1016 5.255,1017 2.243,1018 8.019,1019 4.271,1020 7.738,1021 1.401,1022 9.281,1023 3.816,1024 6.275,1025 7.5,1026 3.628,1027 11.079,1028 6.162,1029 9.12,1030 1.17,1031 11.053,1032 2.947,1033 6.825,1034 8.343,1035 4.112,1036 13.153,1037 6.621,1038 10.54,1039 1,1040 12.879,1041 2.589,1042 8.263,1043 10.131,1044 5.201,1045 15.843,1046 8.036,1047 11.988,1048 1,1049 14.746,1050 2.275,1051 9.187,1052 11.346,1053 5.889,1054 18.243,1055 8.854,1056 13.459,1057 0.843,1058 16.642,1059 2.136,1060 10.465,1061 12.972,1062 6.849,1063 20.841,1064 10.087,1065 3.476,1066 0.221,1067 18.563,1068 1.999,1069 11.558,1070 14.363,1071 7.625,1072 23.355,1073 11.076,1074 3.016,1075 13.262,1076 20.502,1077 0.515,1078 12.787,1079 15.932,1080 8.526,1081 25.934,1082 12.241,1083 2.63,1084 10.18,1085 22.455,1086 4.785,1087 13.956,1088 17.408,1089 9.342,1090 28.488,1091 13.309,1092 2.513,1093 8.022,1094 24.42,1095 3.968,1096 15.176,1097 18.961,1098 10.216,1099 31.065,1100 14.452,1101 2.232,1102 7.103,1103 26.393,1104 3.709,1105 16.379,1106 20.479,1107 11.051,1108 33.636,1109 15.557,1110 2.124,1111 6.125,1112 28.374,1113 3.47,1114 17.602,1115 22.029,1116 11.912,1117 36.215,1118 16.695,1119 1.926,1120 5.529,1121 30.361,1122 2.922,1123 18.821,1124 23.568,1125 12.755,1126 38.793,1127 17.819,1128 18550,1129 31142,1130 23.75,1131 44.898,1132 54.647,1133 56.554,1134 56.37,1135 54.291,1136 54.284,1137 72.594,1138 4.682,1139 154.233,1140 53.231,1141 5.824,1142 6.728,1143 7.297,1144 5.454,1145 5.476,1146 7.785,1147 3.925,1148 21.059,1149 5.195,1150 21.777,1151 1.477,1152 1.528,1153 1.524,1154 1.467,1155 1.467,1156 1.962,1157 0.127,1158 4.168,1159 1.439,1160 4.111,1161 4.104,1162 4.738,1163 4.099,1164 7.717,1165 4.029,1166 3.997,1167 4.016,1168 3.953,1169 3.951,1170 7.474,1171 3.941,1172 3.823,1173 3.862,1174 3.785,1175 3.739,1176 6.999,1177 3.736,1178 3.709,1179 3.745,1180 3.744,1181 3.626,1182 6.351,1183 3.56,1184 3.688,1185 3.702,1186 3.58,1187 3.55,1188 4.923,1189 3.536,1190 3.428,1191 3.455,1192 3.346,1193 3.296,1194 4.723,1195 3.289,1196 3.289,1197 3.35,1198 3.152,1199 3.125,1200 4.683,1201 3.11,1202 3.266,1203 3.346,1204 3.067,1205 3.116,1206 4.247,1207 3.101,1208 0.133,1209 0.128,1210 0.203,1211 0.119,1212 0.094,1213 4.92,1214 0.129,1215 4.728,1216 0.063,1217 7.495,1218 0.358,1219 4.401,1220 0.086,1221 3.476,1222 4.785,1223 2.341,1224 13.262,1225 3.195,1226 2.013,1227 2.014,1228 2.094,1229 2.078,1230 1.312,1231 2.11,1232 1.985,1233 1.963,1234 2.062,1235 2.051,1236 1.285,1237 2.067,1238 1.814,1239 1.779,1240 1.958,1241 1.928,1242 1.212,1243 1.941,1244 1.68,1245 1.632,1246 1.889,1247 1.856,1248 1.036,1249 1.868,1250 1.576,1251 1.574,1252 1.704,1253 1.748,1254 0.88,1255 1.78,1256 1.381,1257 1.352,1258 1.639,1259 1.554,1260 0.755,1261 1.579,1262 1.303,1263 1.226,1264 1.63,1265 1.507,1266 0.719,1267 1.557,1268 1.274,1269 1.214,1270 1.51,1271 1.495,1272 0.664,1273 1.515,1274 4.317,1276 5.631,1278 7.132,1280 8.726,1282 10.372,1284 5.6,1289 8.894,1290 2.214,1291 2.736,1300 41.991,1301 101.822,1302 240.154,1303 314.879,1304 347.144,1305 358.163,1306 358.163,1307 99.792,1308 7.458,1309 96.36,1310 104.74,1311 18,1312 12.614,1313 4.524,1314 3.807,1315 70.799,1316 189,1317 168,1318 0.182,1319 265.679,1320 469.81,1321 640.017,1322 18353,1324 25.424,1325 0.726,1326 0.607,1327 25.674,1328 21.23,1329 16.67,1330 0.451,1331 0.355,1332 11.701,1333 15.511,1334 11.14,1335 9.349,1336 17.491,1337 13.147,1338 15.459,1339 0.303,1340 0.204,1341 16.745,1342 10.422,1343 11.431,1344 0.184,1345 0.121,1346 12.578,1347 7.525,1348 10.029,1349 0.127,1350 0.073,1351 11.23,1352 5.748,1353 6.639,1354 0.077,1355 0.039,1356 7.344,1357 3.337,1358 0.295,1359 111.31,1360 0.205,1361 32.831,1362 0.474,1363 176,1364 508.195,1365 224.391,1366 518.556,1367 691.18,1368 476,1369 201,1370 465.319,1371 257.556,1372 514.604,1373 737.92,1374 480,1375 7.721} {0 CHEMBL33874,1 1.59,2 12.36,3 2.212,4 4.892,5 92.781,6 7.985,7 0.63,8 3.841,9 3.946,10 3.464,11 3.385,12 5.044,13 3.387,14 4.32,15 4.464,16 3.761,17 3.721,18 5.533,19 3.703,20 4.527,21 4.711,22 3.719,23 3.769,24 5.699,25 3.719,26 4.504,27 4.698,28 3.637,29 3.643,30 5.83,31 3.6,32 4.424,33 4.642,34 3.535,35 3.545,36 5.627,37 3.502,38 4.278,39 4.474,40 3.494,41 3.514,42 5.548,43 3.471,44 4.179,45 4.345,46 3.433,47 3.535,48 5.375,49 3.479,50 4.226,51 4.43,52 3.28,53 3.479,54 5.353,55 3.378,56 0.051,57 0.599,58 7.273,59 3.573,60 7.184,61 4.284,62 0.281,63 0.926,64 13.608,65 5.609,66 21.927,67 6.828,68 0.34,69 1.033,70 19.193,71 7.435,72 36.064,73 9.212,74 0.422,75 0.987,76 19.552,77 6.9,78 72.028,79 8.549,80 0.383,81 0.898,82 19.072,83 6.443,84 49.28,85 8.202,86 0.414,87 0.782,88 15.902,89 5.784,90 50.671,91 7.262,92 0.198,93 0.75,94 12.743,95 5.399,96 31.026,97 6.59,98 0.286,99 0.78,100 14.279,101 5.653,102 37.806,103 7.432,104 5,105 35,106 0.276,107 0.582,108 0.715,109 0.8,110 0.836,111 0.844,112 3.265,113 0.868,114 -3.49,115 -3.47,116 -3.31,118 45.2,124 2,140 9,141 2,142 1,143 1,149 1,154 2,156 1,168 10,171 1,172 4,175 2,177 2,180 10,185 1,186 6,191 4,194 5,197 1,198 7,203 4,206 1,209 1,210 7,215 1,218 4,221 1,222 6,225 1,229 8,234 4,242 9,246 1,247 3,255 6,258 1,259 3,262 1,267 2,270 984,271 17.121,272 17.121,273 17.121,274 17.121,275 17.121,276 14.841,277 13.919,278 10.48,279 17.452,280 13.338,281 13.338,282 13.338,283 13.338,284 13.338,285 9.942,286 12.963,287 5.002,288 13.822,289 3.803,290 2.037,291 1.269,292 0.78,293 0.571,294 0.524,295 3.949,298 1,299 1,300 1,301 662,302 3.464,305 86.132,306 191.233,313 2.266,314 26.376,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 54.5,326 309,327 4.242,328 3.691,329 6.134,330 3.903,331 2.901,332 3.791,333 1.2,334 8.942,335 2.899,336 4.09,337 3.382,338 5.921,339 3.703,340 2.701,341 3.652,342 0.86,343 8.241,344 2.708,345 3.921,346 2.885,347 5.366,348 3.463,349 2.547,350 3.479,351 0.8,352 7.027,353 2.329,354 3.713,355 2.625,356 5.297,357 3.316,358 2.366,359 3.068,361 6.818,362 2.236,363 3.264,364 2.181,365 4.435,366 2.804,367 1.804,368 2.528,370 4.472,371 1.796,372 2.847,373 2.026,374 3.911,375 2.427,376 1.469,377 1.908,379 3.293,380 1.398,381 2.7,382 1.568,383 3.6,384 2.288,385 1.318,386 1.759,388 2.965,389 1.268,390 2.518,391 1.324,392 3.414,393 2,394 1,395 1.5,397 2.275,398 1,399 2.5,400 1.168,401 3.388,402 2,403 1,404 1.5,406 2.268,407 1,408 2.5,409 1,410 3.247,411 1.981,412 0.979,413 1.409,415 2.136,416 0.969,417 2.144,418 1,419 3.169,420 1.798,421 0.852,422 1.073,424 1.942,425 0.799,426 2.118,427 0.804,428 3,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.217,436 0.618,437 2.601,438 0.907,439 -0.024,440 -0.029,442 -0.058,443 -0.022,444 1,445 0.233,446 2.398,447 0.545,448 -0.477,449 -0.592,451 -1.162,452 -0.468,453 0.742,454 -0.24,455 2,456 0.321,457 -0.656,458 -0.875,460 -1.471,461 -0.639,462 11.7,463 0.468,464 0.452,465 0.018,466 35.75,467 1.43,468 19.5,469 0.78,470 16.25,471 0.65,472 14.839,473 0.594,474 26.1,475 0.621,476 25.696,477 1.028,478 7.525,479 0.301,480 4.695,481 0.188,482 0.057,484 0.248,487 0.734,488 1.323,489 0.712,490 1.075,491 0.554,492 0.917,493 0.891,494 1.018,495 0.948,496 1.002,497 0.632,498 0.982,499 1.134,500 1.054,501 1.047,502 1.091,503 0.978,504 1.064,505 1.275,506 1.114,507 1.102,508 1.113,509 1.25,510 1.079,511 1.278,512 0.881,513 0.966,514 0.887,515 1.283,516 0.867,517 1.079,518 0.76,519 0.901,520 0.78,521 1.338,522 0.806,523 1.053,524 1.04,525 1.062,526 1.064,527 1.214,528 1.072,529 0.721,530 1.088,531 1.122,532 1.154,533 0.866,534 1.206,535 4,536 0.054,537 2.444,538 1.035,539 0.738,540 0.809,541 0.331,542 0.165,543 0.16,544 0.149,545 8478,546 24855,547 2.085,548 40.5,550 13,551 1,552 2,553 1,558 1.672,559 2,560 3.591,561 -0.317,562 1,563 1,565 1,567 66.77,568 1.59,569 3.355,570 4.124,571 4.612,572 4.821,573 4.869,574 3.133,575 3.974,576 4.612,577 3.79,578 1137.02,579 7.936,580 14815.8,581 1,582 1,584 1,585 226.477,586 1.164,587 4.597,588 0.148,589 0.004,590 0.07,591 0.032,592 0.026,593 0.031,594 0.013,595 0.007,596 0.008,597 0.01,598 0.349,599 0.33,600 1,601 0.477,602 124.607,603 -0.046,604 -0.204,605 0.044,606 -0.088,607 -0.045,608 -0.019,609 0.022,610 0.077,611 -0.093,612 -0.046,613 0.013,614 -0.085,615 -0.083,616 -0.093,617 -0.085,618 -0.105,619 -0.039,620 -0.098,621 -0.054,622 -0.158,623 -0.09,624 -0.154,625 0.081,626 -0.129,627 -0.087,628 0.059,629 0.083,630 0.077,631 -0.048,632 0.112,633 0.068,634 0.18,635 0.105,636 0.211,637 0.007,638 0.175,639 -0.155,640 -0.06,641 -0.162,642 -0.057,643 -0.168,644 -0.103,645 0.061,646 -0.122,647 -0.178,648 -0.159,649 -0.059,650 -0.205,651 2.112,652 5.126,653 0.68,654 27.814,655 1.011,656 1.12,657 2.258,658 5.099,659 0.684,660 3.332,661 3.584,662 3.784,663 3.932,664 4.007,665 3.97,666 4.007,667 4.007,668 4.111,669 4.143,670 7.36,671 0.664,672 335.39,673 3.332,674 4.828,675 5.638,676 6.466,677 7.287,678 8.117,679 8.942,680 9.773,681 10.6,682 11.432,683 7.1,690 1,691 1,693 1,699 12,700 1,704 3,705 1,706 17,722 1,724 42,726 19,727 2,728 27,730 44,731 19,733 15,734 3,735 9,736 2,739 3,740 3,753 17,754 2,756 2,761 2,765 2,768 1,769 1,772 17,773 5,774 1,775 6,778 1,779 3,782 1,784 1,785 3,801 1,802 2,832 3,840 25,846 2,847 1,848 1,862 7.1,865 2,867 1,869 12.5,870 7.4,871 5.639,872 2.353,874 2.67,875 1.393,876 0.977,877 5.599,878 9.465,879 3.651,880 4.178,881 4.686,882 5.148,883 5.461,884 5.462,885 5.668,886 5.714,887 6.082,888 6.363,889 1,890 32,891 9.219,893 3.848,894 7.913,895 17.199,897 13.463,899 2.413,900 60.333,904 188.338,905 139.722,906 36.695,908 61.29,911 139.722,912 249.627,913 36.695,915 24.709,916 94.334,917 108.645,918 33.561,919 11.771,920 153.024,922 188.338,923 176.417,924 61.29,927 188.338,928 61.29,931 44.274,932 115.358,933 16.786,935 188.338,936 97.985,937 139.722,940 188.338,941 27.722,942 113.899,943 18.011,944 78.075,945 188.338,946 97.985,947 139.722,949 0.566,950 0.323,951 0.165,952 0.077,953 15,954 6,955 0.136,956 6,958 1,959 3.948,960 187.164,962 17,963 108.096,968 16.932,969 8.267,970 4.783,972 96.086,973 20.561,974 3.96,978 1.493,979 1.914,980 18.011,981 426.044,982 37.5,987 24.111,991 -0.87,994 42.473,995 47.03,996 0.295,997 0.622,998 0.765,999 0.855,1000 0.894,1001 0.903,1002 4.83,1003 1,1004 5.572,1005 2.965,1006 4.263,1007 4.864,1008 1.893,1009 6.275,1010 4.203,1011 6,1012 1,1013 7.064,1014 2.275,1015 3.611,1016 4.369,1018 6.952,1019 3.559,1020 7.264,1021 0.979,1022 8.655,1023 2.268,1024 5.753,1025 6.948,1026 1.955,1027 9.992,1028 5.646,1029 8.564,1030 0.852,1031 10.307,1032 2.136,1033 5.969,1034 7.31,1036 11.514,1037 5.879,1038 9.895,1039 0.618,1040 11.997,1041 1.942,1042 7.502,1043 9.278,1044 2.117,1045 14.012,1046 7.373,1047 11.246,1048 -0.024,1049 13.714,1050 1.372,1051 8.12,1052 10.041,1054 15.872,1055 8.012,1056 12.614,1057 -0.477,1058 15.449,1059 -0.058,1060 9.386,1061 11.727,1062 2.355,1063 18.174,1064 9.253,1065 2.901,1066 -0.656,1067 17.197,1068 -1.162,1069 10.204,1070 12.704,1072 20.187,1073 10.092,1074 2.701,1075 8.942,1076 18.954,1077 -1.471,1078 11.346,1079 14.24,1080 2.642,1081 22.411,1082 11.22,1083 2.547,1084 8.241,1085 20.718,1086 3.791,1087 12.268,1088 15.341,1090 24.499,1091 12.16,1092 2.366,1093 7.027,1094 22.487,1095 3.652,1096 13.351,1097 16.79,1098 2.96,1099 26.691,1100 13.239,1101 1.804,1102 6.818,1103 24.261,1104 3.479,1105 14.328,1106 17.968,1108 28.818,1109 14.23,1110 1.469,1111 4.472,1112 26.038,1113 3.068,1114 15.386,1115 19.366,1116 3.296,1117 30.998,1118 15.288,1119 1.318,1120 3.293,1121 27.819,1122 2.528,1123 16.392,1124 20.591,1126 33.147,1127 16.306,1128 8100,1129 13997,1130 18.375,1131 28.71,1132 39.78,1133 41.108,1134 39.557,1135 39.094,1136 39.109,1137 53.189,1138 5.72,1139 103.503,1140 37.956,1141 5.127,1142 5.691,1143 5.936,1144 4.99,1145 4.901,1146 6.791,1147 2.4,1148 15.356,1149 4.899,1150 8.813,1151 1.473,1152 1.523,1153 1.465,1154 1.448,1155 1.448,1156 1.97,1157 0.212,1158 3.833,1159 1.406,1160 3.981,1161 4.02,1162 3.927,1163 3.882,1164 7.446,1165 3.887,1166 3.91,1167 3.958,1168 3.85,1169 3.82,1170 7.411,1171 3.817,1172 3.873,1173 3.9,1174 3.814,1175 3.697,1176 4.963,1177 3.726,1178 3.466,1179 3.497,1180 3.41,1181 3.222,1182 4.821,1183 3.262,1184 3.317,1185 3.376,1186 3.187,1187 3.108,1188 4.725,1189 3.118,1190 3.037,1191 3.042,1192 2.975,1193 2.868,1194 4.294,1195 2.886,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.817,1201 2.715,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.674,1207 2.715,1208 0.157,1209 0.137,1210 0.227,1211 0.145,1212 0.107,1213 4.242,1214 0.14,1215 3.691,1216 0.044,1217 6.134,1218 0.331,1219 3.903,1220 0.107,1221 2.901,1222 3.791,1223 1.2,1224 8.942,1225 2.899,1226 1.918,1227 1.896,1228 2.024,1229 2.026,1230 1.116,1231 2.022,1232 1.88,1233 1.858,1234 1.991,1235 1.972,1236 1.076,1237 1.98,1238 1.629,1239 1.563,1240 1.825,1241 1.863,1242 1.042,1243 1.855,1244 1.32,1245 1.283,1246 1.501,1247 1.589,1248 0.529,1249 1.543,1250 1.294,1251 1.237,1252 1.413,1253 1.527,1254 0.361,1255 1.516,1256 1.093,1257 1.04,1258 1.323,1259 1.369,1260 0.312,1261 1.362,1262 0.933,1263 0.901,1264 1.181,1265 1.141,1266 0.218,1267 1.116,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.007,1276 5.273,1277 2.398,1278 6.72,1279 4.443,1280 8.244,1281 6.26,1282 9.806,1290 1.183,1291 2.365,1292 5.617,1300 27.896,1301 66.77,1302 140.928,1303 173.193,1304 193.722,1305 202.477,1306 204.477,1307 44.329,1308 6.795,1309 73.22,1310 73.22,1311 17,1312 12.004,1313 4.322,1314 3.524,1315 42.157,1316 110,1317 97,1318 0.183,1319 173.942,1320 300.45,1321 416.179,1322 8318,1324 17.485,1325 0.699,1326 0.538,1327 17.485,1328 13.462,1329 12.22,1330 0.453,1331 0.289,1332 7.692,1333 11.713,1334 7.563,1335 6.28,1336 12.22,1337 7.815,1338 10.451,1339 0.299,1340 0.152,1341 10.451,1342 5.323,1343 8.594,1344 0.2,1345 0.083,1346 8.594,1347 3.557,1348 6.715,1349 0.134,1350 0.045,1351 6.715,1352 2.227,1353 4.645,1354 0.086,1355 0.024,1356 4.645,1357 1.31,1358 0.298,1359 76.906,1360 0.233,1361 25.193,1362 0.469,1363 124,1364 414.83,1365 137.55,1366 396.211,1367 529.91,1368 370,1369 140,1370 376.91,1371 153.387,1372 380.225,1373 546.76,1374 357,1375 6.745} {0 CHEMBL339269,1 1.666,2 14.727,3 5.102,4 26.031,5 129.483,6 8.118,7 0.514,8 4.166,9 4.262,10 3.919,11 3.787,12 5.255,13 3.727,14 4.702,15 4.847,16 4.195,17 4.172,18 6.002,19 4.08,20 5.006,21 5.207,22 4.22,23 4.328,24 6.054,25 4.195,26 5.074,27 5.288,28 4.122,29 4.304,30 6.136,31 4.166,32 5.071,33 5.303,34 4.157,35 4.29,36 6.08,37 4.15,38 5.033,39 5.265,40 4.167,41 4.271,42 6.104,43 4.13,44 4.984,45 5.22,46 3.984,47 4.202,48 6.001,49 4.063,50 4.892,51 5.121,52 3.947,53 4.096,54 5.985,55 3.976,56 0.108,57 0.818,58 13.982,59 6.117,60 22.944,61 7.238,62 0.413,63 1.315,64 23.399,65 10.32,66 80.89,67 12.821,68 0.39,69 1.683,70 40.384,71 14.934,72 79.285,73 18.194,74 0.518,75 1.767,76 43.086,77 15.325,78 103.028,79 18.8,80 0.519,81 1.766,82 41.676,83 14.722,84 98.196,85 18.744,86 0.552,87 1.709,88 40.526,89 14.557,90 92.67,91 18.885,92 0.391,93 1.598,94 37.417,95 13.958,96 75.894,97 18.095,98 0.33,99 1.434,100 33.069,101 12.295,102 64.744,103 16.079,104 31,105 47,106 0.268,107 0.576,108 0.741,109 0.85,110 0.871,111 0.871,112 3.531,113 1.086,114 -4.58,115 -4.51,116 -4.24,118 41.7,120 5,121 1,124 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 22,181 1,186 7,191 4,194 22,195 1,198 9,203 5,206 16,207 1,210 6,215 3,218 17,219 1,222 10,227 3,229 16,230 2,234 8,239 3,242 13,243 3,247 6,248 1,252 5,255 12,256 3,258 1,259 5,262 1,264 5,267 8,268 1,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.25,277 19.14,278 13.246,279 22.298,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 13.289,286 17.692,287 6.299,288 17.945,289 4.241,290 2.331,291 1.306,292 0.627,293 0.5,294 0.5,295 4.212,297 1,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 41.444,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71.333,326 486,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.266,337 3.596,338 6.5,339 4.014,340 3.016,341 3.784,342 0.68,343 10.18,344 3.011,345 3.896,346 3.348,347 5.415,348 3.516,349 2.52,350 3.444,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.219,363 3.55,364 2.722,365 5.128,366 3.237,367 2.232,368 2.825,370 6.124,371 2.159,372 3.497,373 2.266,374 4.73,375 3.111,376 2.124,377 2.709,379 5.184,380 2.093,381 3.082,382 1.9,383 4.659,384 2.636,385 1.671,386 2.29,388 4.759,389 1.618,390 2.951,391 1.723,392 4.148,393 2.568,394 1.609,395 2.115,397 3.814,398 1.464,399 2.616,400 1.535,401 3.564,402 2.38,403 1.4,404 1.619,406 2.947,407 1.367,408 2.5,409 1.322,410 3.526,411 2.1,412 1.133,413 1.5,415 2.52,416 1.089,417 2.5,418 1.053,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.302,436 1,437 3.282,438 1.957,439 1,440 1.269,442 2.136,443 0.954,444 2.052,445 1,446 3.247,447 1.832,448 0.84,449 0.973,451 1.989,452 0.829,453 1.372,454 0.705,455 2.951,456 1.2,457 0.206,458 0.227,460 0.465,461 0.203,462 16.181,463 0.49,464 0.824,465 0.025,466 42,467 1.273,468 22.5,469 0.682,470 19.5,471 0.591,472 29.267,473 0.887,474 36.019,475 0.6,476 33.305,477 1.009,478 7.958,479 0.241,480 7.89,481 0.239,482 0.127,483 0.052,484 0.216,487 0.576,488 1.199,489 0.74,490 1.112,491 0.672,492 0.938,493 0.479,494 1.111,495 0.812,496 1.021,497 0.451,498 1.053,499 0.868,500 1.067,501 1.055,502 1.09,503 0.832,504 1.047,505 1.032,506 1.074,507 1.041,508 1.07,509 1.057,510 1.078,511 0.901,512 0.978,513 0.686,514 0.836,515 0.973,516 0.976,517 0.568,518 1.001,519 0.784,520 0.992,521 0.569,522 1.017,523 0.757,524 0.969,525 0.793,526 0.94,527 0.765,528 0.987,529 0.821,530 1.031,531 0.766,532 0.937,533 0.785,534 1.001,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 54341,547 2.004,548 45,549 7,550 12,552 2,553 2,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.192,567 99.935,568 1.666,569 3.576,570 4.601,571 5.28,572 5.407,573 5.407,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 354.413,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.17,600 0.75,601 1.33,602 179.449,603 0.041,604 -0.034,605 0.125,606 -0.015,607 -0.099,608 0.042,609 0.252,610 -0.016,611 -0.002,612 -0.035,613 0.264,614 -0.089,615 -0.074,616 -0.057,617 -0.074,618 -0.048,619 -0.036,620 -0.04,621 -0.127,622 -0.083,623 -0.129,624 -0.081,625 -0.102,626 -0.092,627 -0.081,628 0.003,629 0.063,630 0.068,631 -0.114,633 0.128,634 -0.015,635 0.071,636 -0.042,637 0.089,638 -0.014,639 -0.022,640 -0.013,641 0.007,642 -0.01,643 -0.01,644 0.015,645 -0.013,646 -0.088,647 0.026,648 -0.051,649 0.016,650 -0.014,651 4.498,652 5.404,653 0.545,654 41.971,655 1.007,656 1.118,657 3.354,658 11.247,659 0.687,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.646,672 487.06,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 3.3,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 60,726 21,727 2,728 35,730 62,731 25,733 17,734 4,735 8,739 3,740 3,741 1,751 5,753 18,754 7,755 1,756 3,760 1,761 3,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 6,847 1,850 1,861 1,862 6.7,864 1,865 3,869 17.583,870 10.293,871 7.347,872 3.608,874 2.783,875 1.381,876 0.952,877 9.161,878 10.086,879 3.871,880 4.437,881 4.862,882 5.322,883 5.821,884 5.905,885 6.116,886 6.271,887 6.534,888 6.815,889 0.9,890 47,891 12.435,893 5.443,894 7.981,895 23.187,897 19.041,899 2.481,900 81.861,904 294.278,905 148.961,906 33.191,907 39.149,908 112.141,910 5.807,911 143.154,912 445.567,913 33.191,915 14.778,916 116.975,917 153.379,918 32.703,920 270.735,921 39.149,922 294.278,923 176.344,924 112.141,925 44.956,927 270.735,928 135.683,931 49.278,932 110.28,933 61.742,935 294.278,936 145.332,937 188.11,939 5.807,940 294.278,941 30.296,942 112.857,943 16.405,944 168.075,945 294.278,946 145.332,947 188.11,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.194,956 12,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 25.072,969 12.058,970 7.763,972 145.332,973 21.706,974 4.232,978 3.915,980 59.088,981 627.719,982 47,986 -3.581,987 35.615,991 -0.774,994 60.4,995 67.096,996 0.282,997 0.605,998 0.779,999 0.894,1000 0.915,1001 0.915,1002 5.085,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.124,1008 2.35,1009 6.691,1010 4.481,1011 6.293,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.066,1017 2.243,1018 7.84,1019 4.025,1020 7.613,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.35,1026 3.64,1027 10.837,1028 6.003,1029 8.977,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.138,1035 4.112,1036 12.881,1037 6.376,1038 10.382,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 9.947,1044 5.203,1045 15.497,1046 7.839,1047 11.816,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.122,1053 5.889,1054 17.844,1055 8.598,1056 13.274,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.757,1062 6.849,1063 20.369,1064 9.849,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.12,1071 7.625,1072 22.817,1073 10.793,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.689,1080 8.526,1081 25.322,1082 11.956,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.144,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.784,1096 14.877,1097 18.691,1098 10.216,1099 30.309,1100 14.116,1101 2.232,1102 6.321,1103 26.071,1104 3.444,1105 16.047,1106 20.191,1107 11.051,1108 32.808,1109 15.189,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.732,1116 11.912,1117 35.314,1118 16.304,1119 1.671,1120 5.184,1121 29.988,1122 2.825,1123 18.429,1124 23.255,1125 12.755,1126 37.821,1127 17.397,1128 16206,1129 29625,1130 22.94,1131 41.233,1132 51.242,1133 52.762,1134 52.276,1135 51.338,1136 51.047,1137 67.689,1138 6.042,1139 140.992,1140 49.163,1141 5.767,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.959,1151 1.464,1152 1.507,1153 1.494,1154 1.467,1155 1.458,1156 1.934,1157 0.173,1158 4.028,1159 1.405,1160 4.085,1161 4.081,1162 4.736,1163 4.068,1164 7.717,1165 3.991,1166 3.994,1167 4.006,1168 3.946,1169 3.945,1170 7.474,1171 3.925,1172 3.819,1173 3.858,1174 3.923,1175 3.735,1176 6.999,1177 3.733,1178 3.707,1179 3.755,1180 3.746,1181 3.581,1182 6.351,1183 3.556,1184 3.651,1185 3.66,1186 3.584,1187 3.556,1188 4.932,1189 3.509,1190 3.436,1191 3.464,1192 3.338,1193 3.292,1194 4.901,1195 3.28,1196 3.288,1197 3.322,1198 3.195,1199 3.113,1200 4.708,1201 3.103,1202 3.029,1203 3.076,1204 3.125,1205 2.84,1206 4.267,1207 2.843,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.996,1227 1.978,1228 2.113,1229 2.078,1230 1.404,1231 2.096,1232 1.949,1233 1.951,1234 1.974,1235 2.014,1236 1.247,1237 2.052,1238 1.813,1239 1.777,1240 1.948,1241 1.922,1242 1.156,1243 1.937,1244 1.693,1245 1.642,1246 1.9,1247 1.868,1248 1.082,1249 1.882,1250 1.542,1251 1.531,1252 1.708,1253 1.717,1254 0.866,1255 1.741,1256 1.372,1257 1.348,1258 1.574,1259 1.579,1260 0.785,1261 1.584,1262 1.229,1263 1.199,1264 1.262,1265 1.406,1266 0.533,1267 1.446,1268 0.984,1269 0.938,1270 1.181,1271 1.229,1272 0.417,1273 1.233,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1285 5.826,1289 8.882,1290 3.288,1291 2.623,1294 0.13,1300 38.765,1301 99.935,1302 214.559,1303 276.075,1304 316.804,1305 324.413,1306 324.413,1307 92.804,1308 7.302,1309 96.36,1310 104.74,1311 18,1312 12.417,1313 4.459,1314 3.7,1315 64.462,1316 172,1317 168,1318 0.18,1319 248.162,1320 435.76,1321 597.276,1322 15053,1323 1.7,1324 23.684,1325 0.718,1326 0.598,1327 24.434,1328 19.726,1329 15.848,1330 0.453,1331 0.362,1332 10.875,1333 14.351,1334 10.495,1335 8.695,1336 16.958,1337 12.669,1338 14.359,1339 0.306,1340 0.213,1341 16.09,1342 10.025,1343 10.876,1344 0.194,1345 0.128,1346 12.272,1347 7.161,1348 8.348,1349 0.126,1350 0.073,1351 9.37,1352 4.834,1353 6.556,1354 0.082,1355 0.044,1356 7.514,1357 3.503,1358 0.293,1359 109.557,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 506.398,1365 227.911,1366 541.641,1367 704.55,1368 496,1369 185,1370 444.182,1371 247.974,1372 497.355,1373 711.66,1374 466,1375 8.699} {0 CHEMBL339335,1 1.642,2 15.324,3 5.558,4 30.895,5 134.084,6 7.954,7 0.5,8 4.21,9 4.309,10 3.942,11 3.826,12 5.282,13 3.763,14 4.752,15 4.903,16 4.215,17 4.212,18 6.024,19 4.116,20 5.06,21 5.269,22 4.24,23 4.368,24 6.083,25 4.229,26 5.125,27 5.345,28 4.144,29 4.345,30 6.162,31 4.202,32 5.122,33 5.359,34 4.178,35 4.332,36 6.108,37 4.186,38 5.086,39 5.324,40 4.188,41 4.314,42 6.134,43 4.167,44 5.039,45 5.28,46 3.984,47 4.255,48 6.006,49 4.104,50 4.955,51 5.19,52 3.937,53 4.181,54 5.929,55 4.038,56 0.102,57 0.858,58 15.035,59 6.473,60 22.468,61 7.801,62 0.407,63 1.383,64 25.293,65 10.968,66 81.669,67 13.814,68 0.376,69 1.769,70 42.872,71 15.771,72 79.747,73 19.527,74 0.5,75 1.85,76 45.456,77 16.117,78 102.626,79 20.109,80 0.503,81 1.85,82 44.1,83 15.518,84 97.273,85 20.037,86 0.543,87 1.793,88 42.941,89 15.354,90 93.157,91 20.153,92 0.407,93 1.685,94 39.624,95 14.758,96 83.753,97 19.329,98 0.34,99 1.542,100 35.186,101 13.262,102 67.239,103 17.654,104 32,105 48,106 0.262,107 0.565,108 0.729,109 0.843,110 0.873,111 0.873,112 3.56,113 1.097,114 -4.78,115 -4.7,116 -4.41,118 41.3,120 6,121 1,124 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,177 2,180 23,181 1,186 7,191 4,194 23,195 1,198 9,203 5,206 17,207 1,210 6,215 3,218 18,219 1,222 10,227 3,229 18,230 1,234 7,239 2,242 16,243 2,247 6,252 4,255 15,256 3,259 5,260 1,264 5,267 9,268 3,270 2372,271 22.628,272 22.628,273 22.628,274 22.628,275 22.628,276 19.957,277 19.14,278 13.746,279 23.005,280 17.776,281 17.776,282 17.776,283 17.776,284 17.776,285 13.789,286 17.692,287 6.549,288 18.445,289 4.335,290 2.438,291 1.41,292 0.692,293 0.508,294 0.508,295 4.242,297 1,300 1,301 1084,302 4.743,306 419.46,313 2.363,314 41.619,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 73.333,326 521,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.266,337 3.596,338 6.5,339 4.014,340 3.015,341 3.784,342 0.68,343 10.18,344 3.011,345 3.896,346 3.348,347 5.415,348 3.516,349 2.52,350 3.444,352 7.106,353 2.511,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.222,363 3.55,364 2.722,365 5.128,366 3.24,367 2.235,368 2.824,370 6.124,371 2.159,372 3.498,373 2.266,374 4.73,375 3.112,376 2.125,377 2.71,379 5.184,380 2.095,381 3.082,382 1.901,383 4.659,384 2.7,385 1.708,386 2.29,388 4.759,389 1.692,390 2.955,391 1.777,392 4.157,393 2.581,394 1.64,395 2.117,397 3.864,398 1.477,399 2.704,400 1.584,401 3.637,402 2.451,403 1.475,404 1.714,406 3.125,407 1.428,408 2.5,409 1.323,410 3.527,411 2.116,412 1.145,413 1.5,415 2.557,416 1.105,417 2.5,418 1.194,419 3.414,420 2.002,421 1.013,422 1.5,424 2.304,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.332,436 1,437 3.39,438 2,439 1,440 1.301,442 2.275,443 0.997,444 2.189,445 1,446 3.247,447 1.956,448 1,449 1.139,451 2.136,452 0.953,453 1.657,454 0.821,455 2.982,456 1.493,457 0.498,458 0.553,460 1.121,461 0.493,462 16.681,463 0.491,464 0.824,465 0.024,466 42.5,467 1.25,468 22.5,469 0.662,470 20,471 0.588,472 31.193,473 0.917,474 37.319,475 0.592,476 33.649,477 0.99,478 7.958,479 0.234,480 8.39,481 0.247,482 0.123,483 0.05,484 0.21,487 0.575,488 1.209,489 0.75,490 1.122,491 0.668,492 0.956,493 0.476,494 1.125,495 0.82,496 1.035,497 0.446,498 1.068,499 0.853,500 1.061,501 1.039,502 1.08,503 0.817,504 1.037,505 1.017,506 1.068,507 1.027,508 1.061,509 1.041,510 1.067,511 0.889,512 0.976,513 0.686,514 0.838,515 0.958,516 0.971,517 0.561,518 0.998,519 0.779,520 0.987,521 0.556,522 1.009,523 0.771,524 0.955,525 0.818,526 0.931,527 0.786,528 1,529 0.757,530 1.004,531 0.801,532 0.925,533 0.758,534 1.033,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.944,541 0.647,542 0.385,543 0.308,544 0.299,545 18086,546 58196,547 2.004,548 46,549 9,550 12,552 2,553 2,554 2,555 2,558 1.758,559 1.88,560 3.845,561 0.177,567 103.476,568 1.642,569 3.539,570 4.567,571 5.285,572 5.469,573 5.469,574 3.366,575 4.418,576 5.054,577 4.075,578 2285.88,579 8.855,580 37747.6,585 376.569,586 1.455,587 5.013,588 0.194,589 0.008,590 0.083,591 0.04,592 0.025,593 0.022,594 0.015,595 0.01,596 0.008,597 0.008,598 0.415,599 0.17,600 0.75,601 1.454,602 187.053,603 0.043,604 -0.033,605 0.125,606 -0.013,607 -0.094,608 0.04,609 0.253,610 -0.026,611 -0.001,612 -0.041,613 0.267,614 -0.092,615 -0.064,616 -0.05,617 -0.058,618 -0.039,619 -0.026,620 -0.027,621 -0.116,622 -0.077,623 -0.114,624 -0.073,625 -0.091,626 -0.079,627 -0.073,628 0.004,629 0.067,630 0.067,631 -0.104,632 0.005,633 0.131,634 -0.013,635 0.076,636 -0.036,637 0.099,638 -0.007,639 -0.044,640 0.004,641 -0.02,642 0.001,643 -0.039,645 -0.035,646 -0.052,647 -0.02,648 -0.033,649 -0.051,650 -0.039,651 4.494,652 5.426,653 0.529,654 45.765,655 1.004,656 1.119,657 3.555,658 12.637,659 0.682,660 3.611,661 3.892,662 4.06,663 4.22,664 4.407,665 4.431,666 4.466,667 4.489,668 4.554,669 4.615,670 8.888,671 0.64,672 501.09,673 3.611,674 5.13,675 5.938,676 6.786,677 7.614,678 8.469,679 9.307,680 10.166,681 11.01,682 11.872,683 3.2,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 63,726 21,727 2,728 36,730 65,731 26,733 17,734 4,735 8,739 3,740 3,741 1,751 6,753 18,754 8,755 1,756 3,760 1,761 3,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 34,844 1,845 1,846 7,847 1,850 1,861 1,862 6.3,864 1,865 3,869 18.083,870 10.793,871 7.597,872 3.858,874 2.757,875 1.375,876 0.949,877 9.792,878 10.105,879 3.892,880 4.449,881 4.869,882 5.327,883 5.824,884 5.908,885 6.113,886 6.26,887 6.534,888 6.815,889 1,890 48,891 12.81,893 5.581,894 7.952,895 24.004,897 19.707,899 2.452,900 83.361,904 317.82,905 151.496,906 33.191,907 39.149,908 112.141,910 5.807,911 145.688,912 469.11,913 33.191,915 17.313,916 116.975,917 153.379,918 32.703,920 294.278,921 39.149,922 317.82,923 178.879,924 112.141,925 44.956,927 294.278,928 135.683,931 51.813,932 110.28,933 61.742,935 317.82,936 145.332,937 190.644,939 5.807,940 317.82,941 32.831,942 112.857,943 16.405,944 168.075,945 317.82,946 145.332,947 190.644,949 0.572,950 0.31,951 0.154,952 0.084,953 19,954 9,955 0.2,956 13,958 1,959 4.577,960 288.166,962 18,963 162.974,967 1,968 26.053,969 12.779,970 8.318,972 145.332,973 21.916,974 4.259,978 4.008,980 59.088,981 653.796,982 48,986 -3.578,987 35.586,991 -0.755,994 63.283,995 70.511,996 0.275,997 0.592,998 0.764,999 0.884,1000 0.915,1001 0.915,1002 5.103,1003 1.64,1004 5.922,1005 4.759,1006 4.575,1007 5.136,1008 2.35,1009 6.701,1010 4.504,1011 6.306,1012 1.475,1013 7.469,1014 3.864,1015 4.205,1016 5.066,1017 2.243,1018 7.84,1019 4.025,1020 7.622,1021 1.145,1022 9.138,1023 3.125,1024 6.176,1025 7.354,1026 3.64,1027 10.839,1028 6.017,1029 8.984,1030 1.013,1031 10.889,1032 2.557,1033 6.661,1034 8.138,1035 4.112,1036 12.881,1037 6.376,1038 10.386,1039 1,1040 12.697,1041 2.304,1042 8.125,1043 9.948,1044 5.203,1045 15.497,1046 7.846,1047 11.819,1048 1,1049 14.546,1050 2.275,1051 9,1052 11.122,1053 5.889,1054 17.844,1055 8.598,1056 13.276,1057 1,1058 16.425,1059 2.275,1060 10.279,1061 12.757,1062 6.849,1063 20.369,1064 9.852,1065 3.374,1066 0.498,1067 18.328,1068 2.136,1069 11.333,1070 14.12,1071 7.625,1072 22.817,1073 10.793,1074 3.015,1075 12.404,1076 20.247,1077 1.121,1078 12.548,1079 15.689,1080 8.526,1081 25.322,1082 11.958,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.144,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.784,1096 14.878,1097 18.691,1098 10.216,1099 30.309,1100 14.117,1101 2.235,1102 6.321,1103 26.071,1104 3.444,1105 16.047,1106 20.191,1107 11.051,1108 32.808,1109 15.189,1110 2.125,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.732,1116 11.912,1117 35.314,1118 16.304,1119 1.708,1120 5.184,1121 29.988,1122 2.824,1123 18.429,1124 23.255,1125 12.755,1126 37.821,1127 17.397,1128 17769,1129 32124,1130 23.633,1131 42.995,1132 52.617,1133 54.097,1134 53.584,1135 52.595,1136 52.308,1137 68.948,1138 6.042,1139 143.501,1140 50.425,1141 5.781,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 18.426,1151 1.462,1152 1.503,1153 1.488,1154 1.461,1155 1.453,1156 1.915,1157 0.168,1158 3.986,1159 1.401,1160 4.085,1161 4.082,1162 4.736,1163 4.069,1164 7.717,1165 3.992,1166 3.995,1167 4.006,1168 3.947,1169 3.945,1170 7.474,1171 3.926,1172 3.819,1173 3.859,1174 3.923,1175 3.736,1176 6.999,1177 3.733,1178 3.734,1179 3.785,1180 3.746,1181 3.597,1182 6.351,1183 3.586,1184 3.653,1185 3.663,1186 3.603,1187 3.575,1188 4.932,1189 3.511,1190 3.492,1191 3.528,1192 3.381,1193 3.339,1194 4.901,1195 3.33,1196 3.324,1197 3.355,1198 3.228,1199 3.173,1200 4.708,1201 3.157,1202 3.124,1203 3.172,1204 3.144,1205 2.933,1206 4.267,1207 2.932,1208 0.135,1209 0.13,1210 0.203,1211 0.119,1212 0.094,1213 4.844,1214 0.13,1215 4.683,1216 0.065,1217 7.293,1218 0.345,1219 4.291,1220 0.085,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.996,1227 1.978,1228 2.115,1229 2.078,1230 1.416,1231 2.097,1232 1.949,1233 1.951,1234 1.989,1235 2.014,1236 1.266,1237 2.053,1238 1.814,1239 1.778,1240 1.952,1241 1.925,1242 1.181,1243 1.944,1244 1.727,1245 1.674,1246 1.921,1247 1.894,1248 1.109,1249 1.908,1250 1.549,1251 1.533,1252 1.732,1253 1.724,1254 0.892,1255 1.746,1256 1.441,1257 1.407,1258 1.651,1259 1.646,1260 0.865,1261 1.658,1262 1.264,1263 1.244,1264 1.37,1265 1.43,1266 0.595,1267 1.467,1268 1.08,1269 1.032,1270 1.181,1271 1.32,1272 0.499,1273 1.332,1274 4.29,1276 5.58,1278 7.055,1280 8.615,1282 10.22,1285 5.833,1289 8.827,1290 4.454,1291 2.633,1294 0.177,1300 40.292,1301 103.476,1302 222.972,1303 287.74,1304 332.959,1305 344.569,1306 344.569,1307 97.117,1308 7.348,1309 96.36,1310 104.74,1311 18,1312 12.425,1313 4.459,1314 3.7,1315 67.561,1316 181,1317 180,1318 0.177,1319 257.755,1320 453.06,1321 620.681,1322 16048,1323 1.6,1324 24.391,1325 0.717,1326 0.601,1327 25.141,1328 20.433,1329 16.348,1330 0.454,1331 0.366,1332 11.375,1333 14.851,1334 10.985,1335 9.112,1336 17.458,1337 13.169,1338 14.712,1339 0.307,1340 0.216,1341 16.444,1342 10.379,1343 11.126,1344 0.195,1345 0.13,1346 12.522,1347 7.411,1348 8.525,1349 0.127,1350 0.075,1351 9.547,1352 5.011,1353 6.677,1354 0.082,1355 0.045,1356 7.635,1357 3.621,1358 0.288,1359 112.557,1360 0.206,1361 32.31,1362 0.459,1363 168,1364 510.398,1365 231.911,1366 545.802,1367 710.31,1368 500,1369 189,1370 448.182,1371 251.974,1372 501.517,1373 717.42,1374 470,1375 7.509} {0 CHEMBL339568,1 1.734,2 13.065,3 4.802,4 23.058,5 122.524,6 8.788,7 0.545,8 4.04,9 4.123,10 3.868,11 3.685,12 5.204,13 3.637,14 4.534,15 4.653,16 4.149,17 4.049,18 5.951,19 3.978,20 4.808,21 4.982,22 4.191,23 4.184,24 5.986,25 4.078,26 4.829,27 5.008,28 4.12,29 4.148,30 6.049,31 4.046,32 4.833,33 5.015,34 4.128,35 4.145,36 6.047,37 4.052,38 4.84,39 5.042,40 4.078,41 4.136,42 6.016,43 4.029,44 4.793,45 5.025,46 3.905,47 4.073,48 5.772,49 3.934,50 4.723,51 4.95,52 3.992,53 3.944,54 5.895,55 3.834,56 0.126,57 0.7,58 10.585,59 5.06,60 22.956,61 5.477,62 0.412,63 1.099,64 16.844,65 8.297,66 74.587,67 9.645,68 0.431,69 1.394,70 30.368,71 11.811,72 71.886,73 13.386,74 0.489,75 1.425,76 32.921,77 12.103,78 77.102,79 13.39,80 0.519,81 1.404,82 31.681,83 11.691,84 90.128,85 13.163,86 0.566,87 1.416,88 28.48,89 11.303,90 86.471,91 14.191,92 0.313,93 1.391,94 28.003,95 11.419,96 46.704,97 14.994,98 0.357,99 1.284,100 28.289,101 10.716,102 45.247,103 13.171,104 31,105 45,106 0.286,107 0.607,108 0.756,109 0.855,110 0.864,111 0.864,112 3.471,113 1.038,114 -4.37,115 -4.3,116 -4.06,118 44.2,120 3,133 1,134 1,140 10,141 2,142 3,143 2,154 1,163 1,167 1,168 14,169 1,171 1,172 3,175 3,177 3,180 18,181 1,186 7,191 5,194 19,195 1,198 11,203 4,206 14,207 1,210 8,215 2,218 16,219 1,222 8,227 4,229 16,230 2,234 5,239 4,242 9,243 3,247 7,248 1,250 1,252 5,255 6,256 3,258 1,259 7,262 1,264 4,267 8,270 1761,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 17.628,277 13.206,278 12.343,279 20.885,280 16.303,281 16.303,282 16.303,283 16.303,284 16.303,285 12.028,286 7.818,287 5.895,288 16.982,289 3.967,290 2.016,291 1.115,292 0.515,293 0.462,294 0.462,295 4.151,297 1,299 1,300 1,301 845,302 4.416,306 367.251,313 1.942,314 41.302,317 1,318 0.83,319 0.83,320 0.6,322 1,323 1,324 0.75,325 67.333,326 405,327 4.856,328 4.686,329 7.308,330 4.311,331 3.392,332 4.707,333 2.341,334 12.507,335 3.093,336 4.378,337 3.596,338 6.499,339 4.01,340 3.013,341 3.965,343 10.179,344 3.001,345 3.901,346 3.034,347 5.45,348 3.458,349 2.489,350 3.473,352 7.114,353 2.415,354 3.813,355 2.899,356 5.201,357 3.291,358 2.366,359 3.373,361 6.337,362 2.219,363 3.553,364 2.581,365 5.06,366 3.237,367 2.232,368 2.895,370 6.033,371 2.159,372 3.506,373 2.159,374 4.66,375 3.053,376 2.083,377 2.709,379 5.184,380 2.003,381 3.086,382 1.907,383 4.63,384 2.615,385 1.64,386 2.293,388 4.585,389 1.592,390 3.004,391 1.713,392 4.138,393 2.498,394 1.536,395 2.177,397 3.774,398 1.412,399 2.72,400 1.469,401 3.564,402 2.373,403 1.395,404 1.747,406 2.946,407 1.358,408 2.5,409 1.128,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.315,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.232,436 1,437 3.247,438 1.855,439 0.862,440 1.114,442 2.047,443 0.852,444 1.43,445 0.72,446 3.163,447 1.215,448 0.225,449 0.252,451 0.517,452 0.22,453 1.17,454 0.604,455 2.659,456 0.878,457 -0.084,458 -0.1,460 -0.215,461 -0.074,462 15.181,463 0.49,464 0.824,465 0.027,466 43,467 1.387,468 24.5,469 0.79,470 18.5,471 0.597,472 23.71,473 0.765,474 32.819,475 0.631,476 34.842,477 1.124,478 8.438,479 0.272,480 6.411,481 0.207,482 0.135,483 0.055,484 0.231,487 0.583,488 1.142,489 0.707,490 1.066,491 0.692,492 0.863,493 0.471,494 1.113,495 0.786,496 0.996,497 0.471,498 1.01,499 0.957,500 1.042,501 1.032,502 1.017,503 0.913,504 1.007,505 1.073,506 1.047,507 1.107,508 1.095,509 1.044,510 1.035,511 1.065,512 0.996,513 0.77,514 0.903,515 1.161,516 0.983,517 0.613,518 1.01,519 0.708,520 0.927,521 0.673,522 1.065,523 0.469,524 1.054,525 0.702,526 0.945,527 0.418,528 1.058,529 0.731,530 0.997,531 0.708,532 0.922,533 0.637,534 0.902,535 7,536 0.219,537 3.778,538 2.063,539 1.436,540 0.833,541 0.482,542 0.559,543 0.48,544 0.306,545 13023,546 46264,547 2.004,548 40.4,549 4,550 11,552 2,553 2,554 2,558 1.737,559 1.869,560 3.639,561 0.225,567 90.142,568 1.734,569 3.684,570 4.586,571 5.186,572 5.239,573 5.239,574 3.063,575 4.349,576 4.921,577 3.837,578 1784.02,579 8.603,580 26376.7,585 296.423,586 1.525,587 4.873,588 0.212,589 0.008,590 0.084,591 0.046,592 0.033,593 0.019,594 0.012,595 0.016,596 0.014,597 0.009,598 0.453,599 0.17,600 1,601 1.383,602 163.19,603 0.03,604 -0.035,605 0.121,606 -0.023,607 -0.127,608 0.045,609 0.269,610 -0.053,612 -0.043,613 0.262,614 -0.097,615 -0.114,616 -0.037,617 -0.059,618 -0.001,619 -0.073,620 -0.022,621 -0.148,622 -0.033,623 -0.133,624 -0.062,625 -0.082,626 -0.053,627 -0.14,628 -0.015,630 0.032,631 -0.138,632 -0.019,633 0.101,634 -0.047,635 0.042,636 -0.064,637 0.024,638 -0.08,639 0.059,640 -0.086,641 0.065,642 -0.043,643 0.034,644 -0.025,645 0.061,646 -0.006,647 0.19,648 0.044,649 0.106,650 0.12,651 4.647,652 5.561,653 0.581,654 35.748,655 1.014,656 1.113,657 3.14,658 9.858,659 0.711,660 3.526,661 3.829,662 4.007,663 4.205,664 4.407,665 4.419,666 4.511,667 4.615,668 4.635,669 4.635,670 7.641,671 0.677,672 456.98,673 3.526,674 5.056,675 5.872,676 6.735,677 7.573,678 8.442,679 9.291,680 10.164,681 11.018,682 11.894,683 3.8,688 1,693 1,699 12,700 1,704 5,706 18,723 1,724 52,726 22,727 2,728 33,730 54,731 23,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 3,753 20,754 3,756 4,760 1,761 3,763 1,765 2,772 21,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 3,847 1,861 1,862 7.7,864 1,865 3,869 16.583,870 9.043,871 6.847,872 2.962,874 2.984,875 1.414,876 0.967,877 7.721,878 10.191,879 3.85,880 4.449,881 4.914,882 5.433,883 5.953,884 6.119,885 6.446,886 6.737,887 6.983,888 7.25,889 0.889,890 45,891 11.678,893 5.173,894 8.071,895 21.354,897 17.325,899 2.571,900 79.694,903 1,904 223.651,905 154.019,906 33.191,907 39.149,908 112.141,910 5.807,911 148.212,912 374.941,913 33.191,915 7.604,916 110.046,917 169.784,918 35.46,920 200.109,921 39.149,922 223.651,923 181.402,924 112.141,925 44.956,927 223.651,928 112.141,931 25.698,932 113.037,933 87.623,935 223.651,936 145.332,937 193.168,939 5.807,940 223.651,941 25.878,942 122.334,943 16.405,944 168.075,945 223.651,946 145.332,947 193.168,949 0.577,950 0.313,951 0.159,952 0.089,953 19,954 9,955 0.167,956 9,958 1,959 4.222,960 262.869,962 18,963 143.58,967 1,968 22.858,969 10.472,970 6.58,972 145.332,973 20.102,974 4.157,978 2.775,980 59.088,981 562.151,982 46,986 -3.73,987 35.883,989 1.979,991 0.083,994 52.749,995 57.85,996 0.304,997 0.646,998 0.804,999 0.91,1000 0.919,1001 0.919,1002 5.066,1003 1.536,1004 5.872,1005 4.585,1006 4.511,1007 5.136,1008 2.258,1009 6.676,1010 4.432,1011 6.297,1012 1.395,1013 7.434,1014 3.774,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.014,1020 7.629,1021 1,1022 9.116,1023 2.946,1024 6.138,1025 7.399,1026 3.628,1027 10.856,1028 5.965,1029 9.005,1030 1,1031 10.877,1032 2.275,1033 6.661,1034 8.196,1035 4.112,1036 12.901,1037 6.362,1038 10.419,1039 1,1040 12.693,1041 2.275,1042 8.111,1043 10.013,1044 5.201,1045 15.535,1046 7.814,1047 11.861,1048 0.862,1049 14.548,1050 2.136,1051 9.009,1052 11.193,1053 5.889,1054 17.886,1055 8.591,1056 13.327,1057 0.225,1058 16.432,1059 2.047,1060 10.285,1061 12.83,1062 6.849,1063 20.425,1064 9.84,1065 3.392,1066 -0.084,1067 18.338,1068 0.517,1069 11.354,1070 14.195,1071 7.625,1072 22.879,1073 10.799,1074 3.013,1075 12.507,1076 20.26,1077 -0.215,1078 12.572,1079 15.763,1080 8.526,1081 25.395,1082 11.965,1083 2.489,1084 10.179,1085 22.196,1086 4.707,1087 13.715,1088 17.218,1089 9.342,1090 27.887,1091 13.009,1092 2.366,1093 7.114,1094 24.14,1095 3.965,1096 14.917,1097 18.763,1098 10.216,1099 30.401,1100 14.143,1101 2.232,1102 6.337,1103 26.093,1104 3.473,1105 16.095,1106 20.262,1107 11.051,1108 32.908,1109 15.226,1110 2.083,1111 6.033,1112 28.051,1113 3.373,1114 17.296,1115 21.8,1116 11.912,1117 35.424,1118 16.347,1119 1.64,1120 5.184,1121 30.014,1122 2.895,1123 18.49,1124 23.321,1125 12.755,1126 37.939,1127 17.449,1128 12832,1129 24378,1130 21.553,1131 36.949,1132 48.925,1133 50.436,1134 49.758,1135 48.763,1136 48.464,1137 66.408,1138 4.682,1139 135.82,1140 46.556,1141 5.689,1142 6.686,1143 7.11,1144 5.364,1145 5.392,1146 7.707,1147 3.925,1148 19.847,1149 5.093,1150 16.964,1151 1.483,1152 1.528,1153 1.508,1154 1.478,1155 1.469,1156 2.012,1157 0.142,1158 4.116,1159 1.411,1160 4.099,1161 4.09,1162 4.737,1163 4.081,1164 7.717,1165 4.008,1166 3.963,1167 3.976,1168 3.936,1169 3.919,1170 7.474,1171 3.9,1172 3.796,1173 3.833,1174 3.925,1175 3.714,1176 6.999,1177 3.712,1178 3.697,1179 3.741,1180 3.716,1181 3.562,1182 6.351,1183 3.548,1184 3.594,1185 3.571,1186 3.577,1187 3.524,1188 4.938,1189 3.455,1190 3.373,1191 3.393,1192 3.297,1193 3.212,1194 4.912,1195 3.219,1196 3.034,1197 3.066,1198 3.158,1199 2.839,1200 4.73,1201 2.853,1202 2.854,1203 2.925,1204 2.923,1205 2.735,1206 4.268,1207 2.715,1208 0.147,1209 0.142,1210 0.221,1211 0.131,1212 0.103,1213 4.856,1214 0.143,1215 4.686,1216 0.071,1217 7.308,1218 0.379,1219 4.311,1220 0.094,1221 3.392,1222 4.707,1223 2.341,1224 12.507,1225 3.093,1226 1.996,1227 1.992,1228 2.074,1229 2.07,1230 1.284,1231 2.092,1232 1.932,1233 1.924,1234 1.955,1235 1.997,1236 1.175,1237 2.024,1238 1.783,1239 1.75,1240 1.913,1241 1.889,1242 1.104,1243 1.899,1244 1.678,1245 1.629,1246 1.886,1247 1.855,1248 0.941,1249 1.868,1250 1.43,1251 1.461,1252 1.528,1253 1.586,1254 0.68,1255 1.613,1256 1.3,1257 1.279,1258 1.236,1259 1.498,1260 0.55,1261 1.503,1262 0.969,1263 0.935,1264 1.181,1265 1.198,1266 0.325,1267 1.195,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.205,1276 5.509,1278 7.002,1280 8.579,1282 10.201,1285 5.826,1289 8.839,1290 1.224,1291 2.557,1300 35.185,1301 90.142,1302 191.588,1303 238.449,1304 269.668,1305 272.423,1306 272.423,1307 80.268,1308 7.207,1309 96.36,1310 104.74,1311 18,1312 12.437,1313 4.524,1314 3.807,1315 58.216,1316 141,1317 144,1318 0.198,1319 226.05,1320 398.52,1321 543.322,1322 12414,1323 1.9,1324 22.269,1325 0.718,1326 0.584,1327 23.019,1328 18.105,1329 14.848,1330 0.45,1331 0.346,1332 9.632,1333 13.38,1334 9.275,1335 7.7,1336 15.958,1337 11.423,1338 13.671,1339 0.304,1340 0.198,1341 15.379,1342 8.901,1343 10.257,1344 0.19,1345 0.114,1346 11.65,1347 6.137,1348 8.124,1349 0.123,1350 0.063,1351 9.322,1352 4.154,1353 6.486,1354 0.08,1355 0.037,1356 7.596,1357 2.966,1358 0.316,1359 103.511,1360 0.215,1361 29.508,1362 0.532,1363 156,1364 510.398,1365 220.244,1366 546.799,1367 714.14,1368 500,1369 177,1370 456.745,1371 241.977,1372 510.828,1373 732.92,1374 478,1375 8.301} {0 CHEMBL339812,1 1.73,2 13.848,3 3.989,4 15.914,5 124.95,6 7.993,7 0.486,8 4.162,9 4.263,10 3.899,11 3.731,12 5.303,13 3.692,14 4.689,15 4.845,16 4.172,17 4.095,18 6.046,19 4.038,20 4.943,21 5.139,22 4.188,23 4.231,24 6.094,25 4.14,26 5.01,27 5.205,28 4.134,29 4.246,30 6.162,31 4.145,32 5.048,33 5.27,34 4.16,35 4.249,36 6.106,37 4.148,38 5.066,39 5.296,40 4.179,41 4.288,42 6.261,43 4.158,44 5.084,45 5.33,46 4.067,47 4.256,48 6.097,49 4.128,50 5.038,51 5.282,52 4.024,53 4.148,54 6.15,55 4.034,56 0.137,57 0.92,58 13.912,59 5.893,60 25.328,61 6.81,62 0.5,63 1.444,64 23.122,65 9.514,66 82.601,67 11.622,68 0.538,69 1.76,70 35.489,71 12.938,72 87.803,73 15.32,74 0.645,75 1.789,76 37.167,77 13.394,78 108.051,79 16.03,80 0.674,81 1.817,82 37.674,83 13.046,84 104.513,85 16.975,86 0.851,87 1.911,88 37.803,89 13.921,90 123.302,91 18.606,92 0.53,93 1.842,94 41.575,95 14.702,96 84.054,97 19.381,98 0.718,99 1.716,100 37.585,101 13.055,102 105.871,103 17.176,104 42,105 48,106 0.279,107 0.624,108 0.795,109 0.881,110 0.881,111 0.881,112 3.531,113 1.027,114 -3.52,115 -3.49,116 -3.33,118 40.7,120 4,123 1,124 1,133 1,134 1,140 8,141 1,142 2,143 2,150 2,154 1,163 1,167 1,168 10,169 1,171 1,172 7,175 3,177 2,180 10,181 1,186 9,191 3,194 11,195 1,198 10,201 1,203 4,206 9,207 1,209 1,210 5,215 2,218 11,219 1,221 2,222 6,227 2,229 9,230 1,234 7,235 1,239 3,242 6,243 2,246 1,247 6,248 1,250 1,252 4,255 5,256 2,258 1,259 6,262 2,264 4,267 4,268 1,270 2122,271 21.766,272 21.766,273 21.766,274 21.766,275 21.766,276 18.936,277 14.789,278 13.003,279 22.17,280 17.244,281 17.244,282 17.244,283 17.244,284 17.244,285 13.005,286 8.028,287 6.148,288 17.929,289 4.153,290 2.015,291 0.954,292 0.42,293 0.42,294 0.42,295 4.209,299 1,300 1,301 950,302 4.69,305 110.198,306 263.882,313 2.062,314 47.686,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 73,326 457,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 2.341,334 12.404,335 3.079,336 4.531,337 3.596,338 6.755,339 4.138,340 3.171,341 4.202,343 10.99,344 3.06,345 4.056,346 3.244,347 6.045,348 3.649,349 2.675,350 3.612,352 8.578,353 2.599,354 3.835,355 2.875,356 5.154,357 3.351,358 2.4,359 3.393,361 6.321,362 2.272,363 3.552,364 2.78,365 5.129,366 3.237,367 2.232,368 2.79,370 5.88,371 2.219,372 3.444,373 2.144,374 4.731,375 3.002,376 2.024,377 2.705,379 5.184,380 1.977,381 3.085,382 1.957,383 4.659,384 2.645,385 1.683,386 2.292,388 4.761,389 1.61,390 2.936,391 1.832,392 4.287,393 2.55,394 1.571,395 2.062,397 3.882,398 1.526,399 2.719,400 1.545,401 3.835,402 2.381,403 1.402,404 1.742,406 2.955,407 1.368,408 2.565,409 1.281,410 3.564,411 2.136,412 1.177,413 1.591,415 2.85,416 1.125,417 2.5,418 1.231,419 3.519,420 2.06,421 1.088,422 1.5,424 2.459,425 1.055,426 2.5,427 1.114,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.304,436 1,437 3.287,438 1.956,439 1,440 1.261,442 2.136,443 0.953,444 2.149,445 1,446 3.247,447 1.785,448 0.8,449 1.016,451 1.915,452 0.784,453 1.34,454 0.708,455 2.962,456 1.195,457 0.207,458 0.223,460 0.468,461 0.203,462 15.652,463 0.474,464 0.896,465 0.027,466 42.25,467 1.28,468 22,469 0.667,470 20.25,471 0.614,472 28.408,473 0.861,474 36.548,475 0.619,476 35.924,477 1.089,478 8.402,479 0.255,480 7.374,481 0.223,482 0.135,483 0.053,484 0.249,486 1,487 0.593,488 1.21,489 0.812,490 1.215,491 0.644,492 0.981,493 0.564,494 1.054,495 0.86,496 1.009,497 0.476,498 0.99,499 0.972,500 1.034,501 1.13,502 1.077,503 0.896,504 1.007,505 1.044,506 1.016,507 1.203,508 1.131,509 1.045,510 1.144,511 0.814,512 0.876,513 0.863,514 0.919,515 0.825,516 1.009,517 0.43,518 0.9,519 0.869,520 0.989,521 0.387,522 1.085,523 0.616,524 0.916,525 0.94,526 1.051,527 0.561,528 1.03,529 0.854,530 0.884,531 0.826,532 0.876,533 0.869,534 0.983,535 7,536 0.269,537 4.444,538 2.507,539 1.423,540 1.132,541 0.701,542 0.565,543 0.395,544 0.37,545 15486,546 52589,547 1.987,548 44.1,549 4,550 14,552 2,553 2,554 4,558 1.753,559 1.842,560 3.7,561 0.222,563 1,567 102.071,568 1.73,569 3.867,570 4.929,571 5.463,572 5.463,573 5.463,574 3.184,575 4.62,576 5.012,577 3.917,578 2068.34,579 8.785,580 32223.4,585 347.076,586 1.573,587 4.957,588 0.2,589 0.009,590 0.093,591 0.052,592 0.032,593 0.025,594 0.016,595 0.013,596 0.01,597 0.01,598 0.459,599 0.33,600 0.75,601 1.364,602 177.592,603 0.019,604 -0.112,605 0.165,606 -0.051,607 -0.094,608 0.021,609 0.177,610 -0.022,611 0.035,612 0.003,613 0.213,614 -0.02,615 -0.119,616 -0.021,617 -0.086,618 -0.01,619 -0.056,620 -0.005,621 -0.154,622 -0.069,623 -0.216,624 -0.117,625 -0.133,626 -0.16,627 -0.069,628 -0.037,629 0.004,630 -0.006,631 -0.095,632 -0.026,633 0.222,634 0.025,635 0.025,636 -0.039,637 0.195,638 -0.079,639 0.011,640 -0.066,641 0.005,642 -0.076,643 0.035,644 0.001,645 -0.014,646 -0.022,647 0.046,648 0.013,649 -0.04,650 0.006,651 4.645,652 5.413,653 0.515,654 40.252,655 1.014,656 1.128,657 2.287,658 5.229,659 0.67,660 3.584,661 3.892,662 4.094,663 4.277,664 4.419,665 4.477,666 4.533,667 4.554,668 4.595,669 4.615,670 8.055,671 0.641,672 471.6,673 3.584,674 5.118,675 5.943,676 6.808,677 7.656,678 8.529,679 9.387,680 10.265,681 11.13,682 12.01,683 5.1,685 1,691 1,693 1,699 10,700 1,704 5,705 1,706 17,723 1,724 59,726 21,727 1,728 35,730 61,731 24,733 15,734 2,735 4,736 2,739 3,740 3,751 4,753 18,754 6,756 4,760 1,761 3,763 1,765 2,769 1,770 1,772 26,773 7,774 2,775 9,776 1,779 3,784 1,785 4,795 1,797 1,801 1,802 2,818 1,822 1,823 1,830 1,832 3,834 1,836 1,838 1,840 33,844 1,845 1,846 5,847 1,861 1,862 6.8,864 1,865 3,869 17.917,870 10.576,871 7.319,872 3.422,874 2.744,875 1.376,876 0.958,877 8.427,878 10.045,879 3.882,880 4.48,881 4.958,882 5.45,883 5.852,884 6.053,885 6.284,886 6.42,887 6.668,888 6.867,889 1,890 48,891 12.477,893 5.521,894 8.124,895 22.847,897 18.542,899 2.624,900 86.583,904 282.506,905 153.295,906 35.09,908 112.141,909 14.96,910 5.807,911 147.488,912 394.648,913 50.05,914 8.396,915 12.244,916 107.499,917 153.379,918 37.037,919 20.474,920 258.964,922 282.506,923 182.577,924 127.101,925 5.807,927 297.467,928 112.141,931 48.643,932 107.673,933 32.069,935 297.467,936 147.231,937 153.295,939 5.807,940 282.506,941 35.71,942 113.677,943 16.405,944 143.887,945 282.506,946 162.191,947 153.295,949 0.579,950 0.322,951 0.16,952 0.084,953 20,954 10,955 0.18,956 11,958 1,959 4.37,960 285.783,962 17,963 160.465,967 1,968 24.69,969 11.264,970 6.767,972 160.292,973 15.807,974 4.19,978 2.282,979 1.988,980 59.088,981 597.992,982 47.5,986 -3.728,987 35.645,989 2.01,991 0.115,994 59.807,995 66.575,996 0.294,997 0.657,998 0.838,999 0.929,1000 0.929,1001 0.929,1002 5.107,1003 1.571,1004 5.948,1005 4.761,1006 4.575,1007 5.168,1008 2.258,1009 6.77,1010 4.495,1011 6.339,1012 1.402,1013 7.526,1014 3.882,1015 4.29,1016 5.182,1017 2.243,1018 7.958,1019 4.11,1020 7.678,1021 1.177,1022 9.224,1023 2.955,1024 6.217,1025 7.442,1026 3.628,1027 10.987,1028 6.032,1029 9.063,1030 1.088,1031 10.999,1032 2.85,1033 6.781,1034 8.308,1035 4.112,1036 13.034,1037 6.475,1038 10.487,1039 1,1040 12.826,1041 2.459,1042 8.217,1043 10.085,1044 5.201,1045 15.668,1046 7.895,1047 11.939,1048 1,1049 14.689,1050 2.275,1051 9.145,1052 11.315,1053 5.889,1054 18.004,1055 8.707,1056 13.414,1057 0.8,1058 16.578,1059 2.136,1060 10.412,1061 12.923,1062 6.849,1063 20.533,1064 9.936,1065 3.374,1066 0.207,1067 18.485,1068 1.915,1069 11.494,1070 14.314,1071 7.625,1072 22.968,1073 10.915,1074 3.171,1075 12.404,1076 20.407,1077 0.468,1078 12.705,1079 15.863,1080 8.526,1081 25.47,1082 12.07,1083 2.675,1084 10.99,1085 22.339,1086 4.697,1087 13.851,1088 17.326,1089 9.342,1090 27.942,1091 13.123,1092 2.4,1093 8.578,1094 24.279,1095 4.202,1096 15.047,1097 18.856,1098 10.216,1099 30.44,1100 14.251,1101 2.232,1102 6.321,1103 26.226,1104 3.612,1105 16.221,1106 20.354,1107 11.051,1108 32.928,1109 15.339,1110 2.024,1111 5.88,1112 28.177,1113 3.393,1114 17.414,1115 21.881,1116 11.912,1117 35.427,1118 16.459,1119 1.683,1120 5.184,1121 30.133,1122 2.79,1123 18.601,1124 23.396,1125 12.755,1126 37.924,1127 17.562,1128 15282,1129 28367,1130 22.652,1131 39.557,1132 52.04,1133 53.578,1134 53.474,1135 51.785,1136 51.609,1137 69.171,1138 4.682,1139 146.111,1140 49.659,1141 5.749,1142 6.683,1143 7.095,1144 5.347,1145 5.374,1146 7.697,1147 3.925,1148 19.779,1149 5.079,1150 19.229,1151 1.487,1152 1.531,1153 1.528,1154 1.48,1155 1.475,1156 1.976,1157 0.134,1158 4.175,1159 1.419,1160 4.099,1161 4.117,1162 4.735,1163 4.064,1164 8.201,1165 3.995,1166 4.022,1167 4.023,1168 4.005,1169 3.944,1170 7.717,1171 3.932,1172 3.832,1173 3.877,1174 3.767,1175 3.721,1176 7.474,1177 3.726,1178 3.697,1179 3.742,1180 3.721,1181 3.56,1182 6.999,1183 3.547,1184 3.657,1185 3.67,1186 3.579,1187 3.54,1188 6.351,1189 3.495,1190 3.398,1191 3.421,1192 3.313,1193 3.248,1194 4.928,1195 3.245,1196 3.268,1197 3.315,1198 3.137,1199 3.085,1200 4.747,1201 3.071,1202 3.071,1203 3.168,1204 2.862,1205 2.854,1206 4.584,1207 2.833,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.292,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.079,1226 1.952,1227 1.961,1228 2.024,1229 2.034,1230 1.273,1231 2.067,1232 1.91,1233 1.88,1234 1.967,1235 2.014,1236 1.211,1237 2.02,1238 1.705,1239 1.654,1240 1.89,1241 1.882,1242 1.104,1243 1.886,1244 1.683,1245 1.635,1246 1.883,1247 1.856,1248 1.036,1249 1.868,1250 1.532,1251 1.489,1252 1.71,1253 1.72,1254 0.807,1255 1.727,1256 1.444,1257 1.456,1258 1.568,1259 1.604,1260 0.698,1261 1.624,1262 1.246,1263 1.197,1264 1.473,1265 1.486,1266 0.617,1267 1.489,1268 1.145,1269 1.087,1270 1.22,1271 1.349,1272 0.484,1273 1.386,1274 4.263,1276 5.572,1277 2.398,1278 7.064,1279 4.727,1280 8.639,1281 6.804,1282 10.26,1284 1.903,1286 13.064,1289 8.885,1290 1.872,1291 2.549,1300 37.815,1301 102.071,1302 228.162,1303 290.811,1304 322.321,1305 322.321,1306 322.321,1307 97.581,1308 7.302,1309 101.29,1310 109.67,1311 17,1312 12.549,1313 4.459,1314 3.755,1315 64.247,1316 158,1317 167,1318 0.194,1319 238.229,1320 420.32,1321 573.04,1322 14567,1323 1.7,1324 23.847,1325 0.723,1326 0.577,1327 23.226,1328 19.055,1329 15.776,1330 0.451,1331 0.342,1332 10.485,1333 14.367,1334 10.127,1335 8.406,1336 16.203,1337 11.986,1338 14.438,1339 0.301,1340 0.193,1341 15.14,1342 9.283,1343 11.181,1344 0.19,1345 0.113,1346 11.878,1347 6.692,1348 8.653,1349 0.122,1350 0.064,1351 9.369,1352 4.509,1353 6.454,1354 0.079,1355 0.036,1356 6.981,1357 2.955,1358 0.311,1359 107.435,1360 0.21,1361 31.12,1362 0.517,1363 166,1364 589.951,1365 220.637,1366 562.536,1367 737.42,1368 516,1369 190,1370 491.822,1371 249.123,1372 527.604,1373 758.66,1374 494,1375 8.398} {0 CHEMBL340396,1 1.707,2 13.875,3 4.531,4 20.529,5 125.578,6 8.564,7 0.529,8 4.089,9 4.177,10 3.892,11 3.728,12 5.232,13 3.676,14 4.594,15 4.724,16 4.168,17 4.096,18 5.974,19 4.019,20 4.865,21 5.043,22 4.191,23 4.234,24 6.008,25 4.119,26 4.912,27 5.104,28 4.107,29 4.187,30 6.08,31 4.075,32 4.876,33 5.073,34 4.157,35 4.19,36 6.013,37 4.076,38 4.915,39 5.123,40 4.128,41 4.189,42 6.095,43 4.076,44 4.854,45 5.08,46 3.919,47 4.122,48 5.869,49 3.994,50 4.78,51 5.003,52 3.929,53 4.022,54 5.882,55 3.899,56 0.119,57 0.741,58 11.701,59 5.422,60 23.105,61 6.063,62 0.424,63 1.174,64 19.09,65 8.904,66 77.07,67 10.587,68 0.396,69 1.473,70 34.11,71 12.978,72 74.328,73 14.967,74 0.54,75 1.524,76 34.422,77 12.652,78 95.387,79 14.614,80 0.438,81 1.498,82 34.134,83 12.499,84 74.142,85 14.73,86 0.58,87 1.518,88 34.176,89 12.746,90 91.595,91 15.849,92 0.355,93 1.439,94 29.528,95 11.934,96 63.581,97 15.591,98 0.287,99 1.329,100 29.115,101 11.273,102 44.684,103 14.492,104 31,105 46,106 0.279,107 0.607,108 0.765,109 0.858,110 0.866,111 0.866,112 3.502,113 1.048,114 -4.31,115 -4.25,116 -4.01,118 43.6,120 3,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 5,194 20,195 1,198 9,203 5,206 15,207 1,210 8,215 2,218 16,219 1,222 10,227 3,229 16,230 2,234 6,239 4,242 13,243 3,247 5,248 1,252 5,255 8,256 3,258 1,259 7,262 2,264 5,267 6,268 1,270 1920,271 21.214,272 21.214,273 21.214,274 21.214,275 21.214,276 18.335,277 15.263,278 12.769,279 21.583,280 16.776,281 16.776,282 16.776,283 16.776,284 16.776,285 12.466,286 13.204,287 6.084,288 17.44,289 4.074,290 2.06,291 1.09,292 0.523,293 0.473,294 0.473,295 4.182,297 1,299 1,300 1,301 926,302 4.528,306 385.618,313 2.094,314 41.073,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.8,325 69.333,326 444,327 4.845,328 4.684,329 7.293,330 4.293,331 3.376,332 4.697,333 2.341,334 12.407,335 3.068,336 4.379,337 3.596,338 6.5,339 4.013,340 3.015,341 3.968,342 0.522,343 10.18,344 3.009,345 3.907,346 3.04,347 5.418,348 3.504,349 2.512,350 3.471,352 7.107,353 2.492,354 3.831,355 2.899,356 5.169,357 3.307,358 2.393,359 3.391,361 6.323,362 2.219,363 3.555,364 2.714,365 5.11,366 3.237,367 2.232,368 2.918,370 6.111,371 2.159,372 3.526,373 2.187,374 4.715,375 3.099,376 2.114,377 2.709,379 5.184,380 2.074,381 3.086,382 1.923,383 4.659,384 2.624,385 1.652,386 2.293,388 4.725,389 1.607,390 3.035,391 1.81,392 4.146,393 2.544,394 1.588,395 2.214,397 3.803,398 1.441,399 2.721,400 1.491,401 3.564,402 2.377,403 1.398,404 1.749,406 2.946,407 1.364,408 2.5,409 1.142,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1.022,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.401,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.241,436 1,437 3.259,438 1.886,439 0.899,440 1.136,442 2.113,443 0.883,444 1.871,445 1,446 3.247,447 1.594,448 0.638,449 0.747,451 1.515,452 0.605,453 1.312,454 0.647,455 2.763,456 1.139,457 0.143,458 0.159,460 0.324,461 0.141,462 15.681,463 0.49,464 0.824,465 0.026,466 43,467 1.344,468 24,469 0.75,470 19,471 0.594,472 25.581,473 0.799,474 34.119,475 0.62,476 34.959,477 1.092,478 8.471,479 0.265,480 6.877,481 0.215,482 0.131,483 0.053,484 0.223,487 0.58,488 1.155,489 0.717,490 1.076,491 0.687,492 0.885,493 0.494,494 1.059,495 0.8,496 0.974,497 0.473,498 1,499 0.918,500 1.103,501 1.103,502 1.122,503 0.894,504 1.055,505 1.154,506 1.024,507 1.025,508 0.99,509 1.176,510 1.04,511 0.89,512 1.027,513 0.769,514 0.944,515 0.919,516 0.995,517 0.663,518 0.995,519 0.79,520 0.987,521 0.717,522 1.03,523 0.636,524 1.002,525 0.712,526 0.904,527 0.648,528 1.039,529 0.657,530 1.118,531 0.779,532 1.013,533 0.567,534 1.056,535 7,536 0.252,537 4,538 1.813,539 1.276,540 1,541 0.526,542 0.465,543 0.382,544 0.328,545 14700,546 50935,547 2.004,548 41.8,549 4,550 13,552 2,553 2,554 2,558 1.744,559 1.873,560 3.713,561 0.208,567 93.894,568 1.707,569 3.721,570 4.691,571 5.259,572 5.309,573 5.309,574 3.207,575 4.265,576 4.968,577 3.929,578 1948.77,579 8.687,580 30022.7,585 317.975,586 1.501,587 4.922,588 0.206,589 0.009,590 0.087,591 0.039,592 0.03,593 0.023,594 0.013,595 0.013,596 0.011,597 0.01,598 0.441,599 0.17,600 0.88,601 1.356,602 171.29,603 0.034,604 -0.034,605 0.122,606 -0.02,607 -0.12,608 0.043,609 0.252,610 0.016,611 -0.002,612 -0.014,613 0.256,614 -0.074,615 -0.093,616 -0.101,617 -0.101,618 -0.072,619 -0.059,620 -0.057,621 -0.179,622 -0.026,623 -0.122,624 -0.02,625 -0.153,626 -0.071,627 -0.077,628 -0.021,629 0.041,630 0.021,631 -0.067,632 -0.013,633 0.102,634 -0.026,635 0.039,636 -0.061,637 0.06,638 -0.033,639 -0.003,640 -0.051,641 0.014,642 -0.028,643 -0.029,644 -0.032,645 0.041,646 -0.163,647 0.056,648 -0.099,649 0.065,650 -0.044,651 4.56,652 5.46,653 0.563,654 38.875,655 1.012,656 1.114,657 3.079,658 9.482,659 0.704,660 3.555,661 3.85,662 4.025,663 4.19,664 4.407,665 4.419,666 4.466,667 4.533,668 4.595,669 4.615,670 8.111,671 0.667,672 471.01,673 3.555,674 5.081,675 5.894,676 6.749,677 7.584,678 8.444,679 9.289,680 10.153,681 11.003,682 11.869,683 3.6,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 55,726 22,727 2,728 34,730 57,731 24,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 3,753 20,754 4,756 4,760 1,761 3,763 1,765 2,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 4,847 1,861 1,862 7.3,864 1,865 3,869 17.083,870 9.543,871 7.097,872 3.15,874 2.954,875 1.407,876 0.963,877 8.318,878 10.209,879 3.871,880 4.46,881 4.922,882 5.402,883 5.929,884 6.079,885 6.345,886 6.553,887 6.854,888 7.085,889 1,890 46,891 12.041,893 5.288,894 8.037,895 22.17,897 17.984,899 2.537,900 81.194,904 247.193,905 156.554,906 33.191,907 39.149,908 112.141,910 5.807,911 150.746,912 398.483,913 33.191,915 9.709,916 126.451,917 153.379,918 35.888,920 223.651,921 39.149,922 247.193,923 183.937,924 112.141,925 44.956,927 247.193,928 112.141,931 44.209,932 113.466,933 71.218,935 247.193,936 145.332,937 195.702,939 5.807,940 247.193,941 28.413,942 122.334,943 16.405,944 168.075,945 247.193,946 145.332,947 195.702,949 0.576,950 0.313,951 0.154,952 0.088,953 19,954 9,955 0.175,956 10,958 1,959 4.348,960 270.618,962 18,963 150,967 1,968 23.837,969 11.167,970 7.104,972 145.332,973 20.808,974 4.176,978 3.306,980 59.088,981 588.227,982 47,986 -3.643,987 35.693,989 2.012,991 0.142,994 55.633,995 61.265,996 0.295,997 0.644,998 0.811,999 0.91,1000 0.918,1001 0.918,1002 5.085,1003 1.588,1004 5.889,1005 4.725,1006 4.533,1007 5.147,1008 2.313,1009 6.681,1010 4.458,1011 6.309,1012 1.398,1013 7.446,1014 3.803,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.638,1021 1,1022 9.123,1023 2.946,1024 6.151,1025 7.402,1026 3.632,1027 10.835,1028 5.987,1029 9.011,1030 1,1031 10.879,1032 2.275,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.375,1038 10.423,1039 1,1040 12.691,1041 2.275,1042 8.113,1043 10.012,1044 5.202,1045 15.498,1046 7.828,1047 11.863,1048 0.899,1049 14.543,1050 2.136,1051 9,1052 11.188,1053 5.889,1054 17.845,1055 8.595,1056 13.326,1057 0.638,1058 16.424,1059 2.113,1060 10.275,1061 12.823,1062 6.849,1063 20.37,1064 9.843,1065 3.376,1066 0.143,1067 18.327,1068 1.515,1069 11.334,1070 14.185,1071 7.625,1072 22.818,1073 10.792,1074 3.015,1075 12.407,1076 20.247,1077 0.324,1078 12.548,1079 15.751,1080 8.526,1081 25.324,1082 11.954,1083 2.512,1084 10.18,1085 22.179,1086 4.697,1087 13.684,1088 17.202,1089 9.342,1090 27.808,1091 12.989,1092 2.393,1093 7.107,1094 24.122,1095 3.968,1096 14.881,1097 18.745,1098 10.216,1099 30.312,1100 14.117,1101 2.232,1102 6.323,1103 26.072,1104 3.471,1105 16.052,1106 20.241,1107 11.051,1108 32.811,1109 15.192,1110 2.114,1111 6.111,1112 28.028,1113 3.391,1114 17.247,1115 21.777,1116 11.912,1117 35.317,1118 16.308,1119 1.652,1120 5.184,1121 29.989,1122 2.918,1123 18.435,1124 23.295,1125 12.755,1126 37.824,1127 17.402,1128 14453,1129 27102,1130 22.246,1131 38.71,1132 50.291,1133 51.73,1134 50.967,1135 50.21,1136 49.922,1137 67.902,1138 5.725,1139 138.847,1140 48.035,1141 5.717,1142 6.684,1143 7.095,1144 5.343,1145 5.376,1146 7.697,1147 3.925,1148 19.573,1149 5.068,1150 17.47,1151 1.479,1152 1.521,1153 1.499,1154 1.477,1155 1.468,1156 1.997,1157 0.168,1158 4.084,1159 1.413,1160 4.089,1161 4.082,1162 4.736,1163 4.072,1164 7.717,1165 3.999,1166 3.981,1167 3.992,1168 3.948,1169 3.94,1170 7.474,1171 3.919,1172 3.811,1173 3.849,1174 3.925,1175 3.729,1176 6.999,1177 3.727,1178 3.697,1179 3.742,1180 3.738,1181 3.571,1182 6.351,1183 3.549,1184 3.629,1185 3.622,1186 3.579,1187 3.543,1188 4.937,1189 3.487,1190 3.394,1191 3.414,1192 3.319,1193 3.245,1194 4.913,1195 3.248,1196 3.13,1197 3.167,1198 3.166,1199 2.947,1200 4.721,1201 2.948,1202 2.931,1203 2.984,1204 3.007,1205 2.756,1206 4.269,1207 2.754,1208 0.143,1209 0.138,1210 0.215,1211 0.126,1212 0.099,1213 4.845,1214 0.138,1215 4.684,1216 0.069,1217 7.293,1218 0.365,1219 4.293,1220 0.09,1221 3.376,1222 4.697,1223 2.341,1224 12.407,1225 3.068,1226 1.994,1227 1.983,1228 2.086,1229 2.068,1230 1.29,1231 2.089,1232 1.943,1233 1.941,1234 1.958,1235 2.005,1236 1.199,1237 2.037,1238 1.802,1239 1.768,1240 1.935,1241 1.908,1242 1.13,1243 1.919,1244 1.679,1245 1.63,1246 1.888,1247 1.856,1248 0.983,1249 1.868,1250 1.483,1251 1.498,1252 1.572,1253 1.65,1254 0.753,1255 1.678,1256 1.326,1257 1.305,1258 1.449,1259 1.524,1260 0.64,1261 1.52,1262 1.07,1263 1.034,1264 1.181,1265 1.274,1266 0.432,1267 1.296,1268 0.899,1269 0.848,1270 1.181,1271 1.128,1272 0.278,1273 1.141,1274 4.234,1276 5.533,1278 7.02,1280 8.589,1282 10.202,1285 5.823,1289 8.851,1290 1.433,1291 2.593,1300 36.711,1301 93.894,1302 204.65,1303 258.001,1304 289.22,1305 291.975,1306 291.975,1307 84.298,1308 7.256,1309 96.36,1310 104.74,1311 18,1312 12.418,1313 4.524,1314 3.807,1315 61.302,1316 156,1317 156,1318 0.189,1319 235.642,1320 415.82,1321 566.728,1322 13700,1323 1.8,1324 22.976,1325 0.718,1326 0.588,1327 23.726,1328 18.812,1329 15.348,1330 0.451,1331 0.349,1332 10.086,1333 13.855,1334 9.712,1335 8.059,1336 16.458,1337 11.88,1338 14.005,1339 0.304,1340 0.203,1341 15.737,1342 9.324,1343 10.639,1344 0.193,1345 0.117,1346 12.019,1347 6.44,1348 8.078,1349 0.124,1350 0.065,1351 9.109,1352 4.245,1353 6.588,1354 0.081,1355 0.039,1356 7.665,1357 3.128,1358 0.304,1359 106.557,1360 0.212,1361 30.483,1362 0.498,1363 160,1364 514.398,1365 223.911,1366 550.317,1367 718.06,1368 504,1369 181,1370 456.182,1371 244.141,1372 510.454,1373 731.72,1374 478,1375 8.155} {0 CHEMBL34041,1 1.668,2 10.158,3 1.208,4 1.46,5 67.16,6 7.948,7 0.55,8 3.618,9 3.71,10 3.22,11 3.043,12 4.844,13 3.077,14 4.102,15 4.245,16 3.49,17 3.337,18 5.401,19 3.357,20 4.256,21 4.43,22 3.34,23 3.359,24 5.459,25 3.318,26 4.143,27 4.35,28 3.154,29 3.298,30 5.119,31 3.217,32 4.139,33 4.37,34 3.173,35 3.23,36 5.234,37 3.151,38 4.014,39 4.238,40 3.077,41 3.094,42 5.176,43 3.049,44 3.84,45 4.025,46 2.947,47 2.964,48 5.013,49 2.938,50 3.699,51 3.9,52 2.793,53 2.84,54 4.91,55 2.757,56 0.119,57 0.457,58 6.171,59 2.838,60 11.21,61 3.352,62 0.41,63 0.668,64 12.024,65 4.152,66 40.862,67 5.053,68 0.681,69 0.679,70 15.944,71 5.107,72 56.926,73 6.343,74 0.329,75 0.642,76 13.863,77 5.068,78 25.69,79 6.73,80 0.413,81 0.62,82 14.564,83 4.911,84 28.899,85 6.937,86 0.336,87 0.542,88 12.991,89 4.081,90 35.885,91 5.582,92 0.335,93 0.462,94 10.443,95 3.244,96 32.327,97 4.082,98 0.383,99 0.412,100 8.946,101 2.984,102 27.909,103 4.188,104 8,105 25,106 0.312,107 0.677,108 0.808,109 0.82,110 0.843,111 0.865,112 3.007,113 0.866,114 -2.04,115 -2.09,116 -2.08,118 39.4,124 3,140 4,142 2,143 1,149 1,154 1,156 1,163 1,167 1,168 2,171 1,172 4,173 1,175 1,180 2,185 2,186 4,189 1,194 2,207 2,209 2,210 4,215 2,219 2,222 4,227 2,234 2,235 1,246 2,247 2,250 1,270 464,271 12.845,272 12.845,273 12.845,274 12.845,275 12.845,276 11.293,277 14.276,278 7.998,279 13.295,280 9.899,281 9.899,282 9.899,283 9.899,284 9.899,285 7.613,286 14.003,287 3.858,288 10.615,289 3.376,290 1.429,291 0.727,292 0.667,293 0.545,294 0.424,295 3.669,299 1,300 1,301 399,302 3.082,305 62.15,306 68.846,313 1.956,314 20.62,317 1,318 1,319 1,320 0.8,322 1,323 1,324 0.83,325 43,326 193,327 4.043,328 3.627,329 5.497,330 3.616,331 2.669,332 3.638,333 2.423,334 7.404,335 2.522,336 3.918,337 2.962,338 5.352,339 3.452,340 2.538,341 3.478,342 0.922,343 6.997,344 2.317,345 3.589,346 2.725,347 5.14,348 3.239,349 2.295,350 2.821,351 0.86,352 6.407,353 2.16,354 3.419,355 2.594,356 4.603,357 3.021,358 2.059,359 2.634,361 5.029,362 1.942,363 2.714,364 1.689,365 3.61,366 2.35,367 1.42,368 1.777,370 3.016,371 1.314,372 2.5,373 1.427,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.192,382 1.163,383 3.224,384 1.855,385 0.961,386 1.144,388 2.105,389 0.853,390 2.118,391 1,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.825,400 0.618,401 2.936,402 1.508,403 0.613,404 0.7,406 1.352,407 0.538,408 1.191,409 0.547,410 2.482,411 0.886,412 -0.03,413 -0.035,415 -0.07,416 -0.027,417 0.722,418 0.264,419 2,420 0.378,421 -0.543,422 -0.637,424 -1.258,425 -0.489,426 0.5,427 -0.13,428 1.918,429 0.009,430 -1,431 -1.171,433 -2,434 -0.926,435 0.459,436 -0.548,437 1.616,439 -1,440 -1.412,442 -2.76,443 -1,444 0.071,445 -0.948,446 1.096,447 -0.188,448 -1.09,449 -1.5,451 -3,452 -1.029,453 -0.065,454 -1,455 1,456 -0.386,457 -1.332,458 -1.652,460 -3.129,461 -1.274,462 8.633,463 0.454,464 0.349,465 0.018,466 25.25,467 1.329,468 12.5,469 0.658,470 12.75,471 0.671,472 10.848,473 0.571,474 21.367,475 0.647,476 16.347,477 0.86,478 5.451,479 0.287,480 3.786,481 0.199,482 0.077,484 0.22,487 0.894,488 1.54,489 0.737,490 1.274,491 0.755,492 1.017,493 1.074,494 1.053,495 0.979,496 1.022,497 0.562,498 0.964,499 1.158,500 0.831,501 1.21,502 0.934,503 1.016,504 1.064,505 0.84,506 1.109,507 1.038,508 1.194,509 0.526,510 1.182,511 0.563,512 0.994,513 0.813,514 1.057,515 0.527,516 1.018,517 0.96,518 0.967,519 0.866,520 0.928,521 1.145,522 0.881,523 1.346,524 0.98,525 1.153,526 0.911,527 1.319,528 0.968,529 0.439,530 1.019,531 0.985,532 1.061,533 0.392,534 1.159,535 3.5,536 0.02,537 1.333,538 0.347,539 0.507,540 0.427,541 0.208,542 0.134,543 0.103,544 0.067,545 3771,546 13342,547 2.025,548 42.4,550 10,551 1,552 2,553 1,558 1.592,559 1.932,560 3.332,561 -0.198,563 1,565 1,567 55.056,568 1.668,569 3.615,570 4.317,571 4.378,572 4.499,573 4.62,574 2.76,575 3.577,576 4.215,577 3.523,578 602.478,579 7.127,580 6393.27,582 1,585 166.465,586 1.19,587 4.196,588 0.175,589 0.003,590 0.053,591 0.017,592 0.03,593 0.025,594 0.013,595 0.01,596 0.009,597 0.008,598 0.344,599 0.5,600 1,601 1.236,602 85.976,603 -0.104,604 -0.347,605 0.036,606 -0.179,607 -0.094,608 -0.06,609 -0.077,610 0.059,611 -0.086,612 -0.041,613 0.136,614 -0.053,615 -0.027,616 0.125,617 -0.234,618 0.04,619 -0.072,620 -0.121,621 -0.075,622 -0.152,623 -0.11,624 -0.17,625 -0.029,626 -0.154,627 0.192,628 -0.068,629 0.158,630 -0.063,631 0.143,632 0.019,633 -0.085,634 -0.046,635 0.125,636 0.045,637 -0.046,638 0.13,639 -0.289,640 -0.013,641 -0.181,642 0.056,643 -0.258,644 -0.017,645 0.384,646 -0.03,647 -0.042,648 -0.078,649 0.225,650 -0.167,651 2.666,652 3.336,653 0.579,654 18.277,655 1.025,656 1.131,657 0.815,658 0.664,659 0.648,660 3.045,661 3.258,662 3.367,663 3.497,664 3.555,665 3.497,666 3.497,667 3.555,668 3.555,669 3.434,670 6.202,671 0.638,672 262.29,673 3.045,674 4.511,675 5.283,676 6.089,677 6.878,678 7.686,679 8.482,680 9.29,681 10.091,682 10.899,683 6.1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 2,724 33,726 12,727 1,728 20,730 34,731 13,733 9,734 2,735 4,739 2,740 2,753 10,754 3,756 1,761 1,765 1,768 1,769 1,772 14,773 5,774 1,775 6,778 1,779 2,784 1,785 4,801 1,802 1,818 1,830 1,832 2,840 19,845 1,846 3,848 2,862 12.1,864 1,865 1,867 2,869 9.833,870 5.683,871 4.333,872 1.75,874 1.917,875 1.318,876 0.905,877 4.948,878 7.95,879 3.314,880 3.801,881 4.199,882 4.639,883 4.886,884 4.844,885 4.961,886 5.211,887 5.469,888 5.564,889 0.857,890 20,891 6.952,893 2.799,894 8.053,895 12.863,897 9.694,899 2.553,900 48.5,904 153.024,905 87.306,906 18.685,908 89.828,911 87.306,912 242.852,913 18.685,915 11.29,916 46.952,917 117.684,918 43.433,919 11.771,920 117.711,922 153.024,923 105.99,924 89.828,927 153.024,928 89.828,931 30.856,932 58.349,933 16.786,935 153.024,936 108.513,937 87.306,940 153.024,941 22.687,942 66.518,944 106.614,945 153.024,946 108.513,947 87.306,949 0.557,950 0.289,951 0.143,952 0.073,953 10,954 4,955 0.206,956 7,958 1,959 3.363,960 120.247,962 11,963 76.711,968 13.584,969 6.921,970 4.732,972 106.614,973 12.147,974 3.937,978 1.215,979 1.921,980 42.683,981 348.843,982 26.5,987 10.336,991 -0.999,994 33.814,995 37.325,996 0.331,997 0.717,998 0.856,999 0.868,1000 0.892,1001 0.916,1002 4.474,1003 0.618,1004 5.198,1005 2.105,1006 3.932,1007 4.483,1008 2.617,1009 5.826,1010 3.797,1011 5.621,1012 0.613,1013 6.64,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.032,1020 6.865,1021 -0.03,1022 8.169,1023 1.352,1024 5.352,1025 6.509,1026 3.859,1027 9.283,1028 5.082,1029 8.14,1030 -0.543,1031 9.748,1032 -0.07,1033 5.442,1034 6.827,1035 4.238,1036 10.592,1037 5.101,1038 9.442,1039 -1,1040 11.359,1041 -1.258,1042 6.987,1043 8.77,1044 5.441,1045 12.98,1046 6.587,1047 10.762,1048 -1,1049 12.99,1050 -2,1051 7.46,1052 9.475,1053 6.111,1054 14.628,1055 6.976,1056 12.094,1057 -1.09,1058 14.635,1059 -2.76,1060 8.731,1061 11.147,1062 7.139,1063 16.791,1064 8.201,1065 2.669,1066 -1.332,1067 16.289,1068 -3,1069 9.41,1070 12.066,1071 7.928,1072 18.6,1073 8.791,1074 2.538,1075 7.404,1076 17.95,1077 -3.129,1078 10.54,1079 13.589,1080 8.878,1081 20.663,1082 9.881,1083 2.295,1084 6.997,1085 19.616,1086 3.638,1087 11.336,1088 14.636,1089 9.719,1090 22.555,1091 10.589,1092 2.059,1093 6.407,1094 21.285,1095 3.478,1096 12.39,1097 16.073,1098 10.635,1099 24.572,1100 11.603,1101 1.42,1102 5.029,1103 22.958,1104 2.821,1105 13.255,1106 17.199,1107 11.499,1108 26.506,1109 12.383,1110 1,1111 3.016,1112 24.632,1113 2.634,1114 14.267,1115 18.582,1116 12.399,1117 28.503,1118 13.355,1119 0.961,1120 2.275,1121 26.309,1122 1.777,1123 15.173,1124 19.76,1125 13.274,1126 30.459,1127 14.181,1128 3783,1129 7214,1130 13.405,1131 21.398,1132 28.788,1133 28.926,1134 28.555,1135 28.358,1136 28.348,1137 37.238,1138 8.41,1139 71.916,1140 26.445,1141 4.918,1142 5.627,1143 5.155,1144 4.708,1145 4.669,1146 6.638,1147 4.104,1148 12.679,1149 4.522,1150 7.962,1151 1.439,1152 1.446,1153 1.428,1154 1.418,1155 1.417,1156 1.862,1157 0.42,1158 3.596,1159 1.322,1160 3.952,1161 4.006,1162 3.89,1163 3.824,1164 7.474,1165 3.831,1166 3.876,1167 3.907,1168 3.819,1169 3.695,1170 6.351,1171 3.722,1172 3.533,1173 3.535,1174 3.463,1175 3.255,1176 4.967,1177 3.301,1178 3.34,1179 3.397,1180 3.201,1181 3.131,1182 4.887,1183 3.135,1184 2.898,1185 2.925,1186 2.816,1187 2.735,1188 4.512,1189 2.715,1190 2.854,1191 2.908,1192 2.687,1193 2.677,1194 4.063,1195 2.702,1196 2.591,1197 2.657,1198 2.403,1199 2.317,1200 3.674,1201 2.304,1202 2.484,1203 2.575,1204 2.269,1205 2.136,1206 3.629,1207 2.188,1208 0.202,1209 0.181,1210 0.275,1211 0.181,1212 0.133,1213 4.043,1214 0.182,1215 3.627,1216 0.121,1217 5.497,1218 0.37,1219 3.616,1220 0.126,1221 2.669,1222 3.638,1223 2.423,1224 7.404,1225 2.522,1226 1.87,1227 1.852,1228 1.979,1229 1.995,1230 1.107,1231 1.988,1232 1.627,1233 1.56,1234 1.823,1235 1.861,1236 1.023,1237 1.852,1238 1.381,1239 1.368,1240 1.576,1241 1.681,1242 0.697,1243 1.639,1244 1.307,1245 1.243,1246 1.499,1247 1.527,1248 0.527,1249 1.52,1250 1.091,1251 1.028,1252 1.328,1253 1.377,1254 0.315,1255 1.368,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.753,1263 0.728,1264 0.953,1265 1.055,1266 0.047,1267 1.005,1268 0.398,1269 0.344,1270 0.821,1271 0.83,1273 0.839,1274 3.714,1276 4.949,1277 2.398,1278 6.344,1279 4.443,1280 7.812,1281 6.26,1282 9.32,1289 8.479,1290 0.907,1292 10.558,1300 21.063,1301 55.056,1302 119.304,1303 142.465,1304 144.465,1305 148.465,1306 152.465,1307 27.011,1308 6.033,1309 73.58,1310 73.58,1311 11,1312 11.491,1313 3.7,1314 2.907,1315 34.078,1316 70,1317 59,1318 0.236,1319 132.693,1320 228.26,1321 315.532,1322 2938,1324 13.502,1325 0.711,1326 0.538,1327 13.502,1328 10.229,1329 9.237,1330 0.462,1331 0.289,1332 5.629,1333 8.649,1334 5.554,1335 4.589,1336 9.237,1337 5.771,1338 7.939,1339 0.318,1340 0.152,1341 7.939,1342 3.803,1343 5.818,1344 0.208,1345 0.084,1346 5.818,1347 2.363,1348 4.372,1349 0.137,1350 0.046,1351 4.372,1352 1.465,1353 3.121,1354 0.092,1355 0.025,1356 3.121,1357 0.837,1358 0.384,1359 59.507,1360 0.273,1361 19.896,1362 0.604,1363 90,1364 356.647,1365 105.039,1366 327.762,1367 428.18,1368 306,1369 98,1370 295.505,1371 111.935,1372 292.474,1373 416.28,1374 273,1375 7.022} {0 CHEMBL340504,1 1.734,2 13.548,3 3.94,4 15.521,5 121.131,6 8.788,7 0.545,8 4.04,9 4.123,10 3.868,11 3.685,12 5.203,13 3.637,14 4.535,15 4.657,16 4.147,17 4.051,18 5.95,19 3.98,20 4.8,21 4.967,22 4.168,23 4.189,24 5.989,25 4.082,26 4.842,27 5.022,28 4.059,29 4.147,30 6.021,31 4.038,32 4.847,33 5.047,34 4.122,35 4.137,36 5.973,37 4.03,38 4.861,39 5.07,40 4.17,41 4.107,42 6.131,43 4.012,44 4.799,45 5,46 3.918,47 3.967,48 6.098,49 3.877,50 4.582,51 4.784,52 3.669,53 3.797,54 5.746,55 3.686,56 0.126,57 0.7,58 10.585,59 5.06,60 22.977,61 5.477,62 0.429,63 1.104,64 17.015,65 8.221,66 74.868,67 9.523,68 0.426,69 1.386,70 31.373,71 11.988,72 70.123,73 13.351,74 0.502,75 1.432,76 32.613,77 12.176,78 87.304,79 13.651,80 0.464,81 1.447,82 30.828,83 11.652,84 80.409,85 13.832,86 0.529,87 1.452,88 32.794,89 12.105,90 66.869,91 14.76,92 0.635,93 1.292,94 30.972,95 11.225,96 101.741,97 12.857,98 0.44,99 1.033,100 24.116,101 8.969,102 78.833,103 10.602,104 29,105 45,106 0.286,107 0.614,108 0.769,109 0.855,110 0.864,111 0.864,112 3.471,113 1.035,114 -4.1,115 -4.05,116 -3.83,118 44.2,120 2,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 4,194 20,195 1,198 9,203 5,206 13,207 2,210 7,215 4,218 12,219 3,222 11,223 1,227 5,229 10,230 3,233 1,234 8,237 1,239 4,242 9,243 1,247 4,252 3,255 10,256 1,259 3,264 3,267 7,270 1638,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 17.628,277 12.169,278 12.26,279 20.884,280 16.276,281 16.276,282 16.276,283 16.276,284 16.276,285 11.993,286 6.66,287 5.824,288 16.945,289 3.967,290 1.978,291 1.038,292 0.515,293 0.462,294 0.462,295 4.151,297 1,299 1,300 1,301 880,302 4.416,306 372.817,313 2.108,314 41.255,317 1,318 0.83,319 0.83,320 0.6,322 1,323 1,324 0.75,325 67.333,326 420,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.397,334 12.404,335 3.063,336 4.382,337 3.616,338 6.5,339 4.016,340 3.018,341 3.97,342 0.242,343 10.182,344 3.013,345 3.91,346 3.028,347 5.415,348 3.517,349 2.521,350 3.471,352 7.106,353 2.513,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.19,363 3.583,364 2.698,365 5.128,366 3.211,367 2.208,368 2.937,370 6.124,371 2.159,372 3.489,373 2.181,374 4.73,375 3.099,376 2.109,377 2.694,379 5.184,380 2.082,381 3.083,382 1.9,383 4.665,384 2.592,385 1.655,386 2.291,388 4.758,389 1.514,390 3.008,391 1.724,392 4.071,393 2.503,394 1.53,395 2.185,397 3.583,398 1.45,399 2.613,400 1.41,401 3.528,402 2.124,403 1.152,404 1.565,406 2.604,407 1.114,408 2.5,409 1.307,410 3.455,411 2.002,412 1.018,413 1.5,415 2.376,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 0.996,435 2.272,436 1,437 3.247,438 1.955,439 1,440 1.224,442 2.136,443 0.952,444 1.478,445 0.75,446 2.981,447 1.258,448 0.264,449 0.301,451 0.615,452 0.26,453 1.161,454 0.605,455 2.744,456 0.899,457 -0.071,458 -0.082,460 -0.174,461 -0.065,462 15.181,463 0.49,464 0.824,465 0.027,466 42.5,467 1.371,468 24,469 0.774,470 18.5,471 0.597,472 23.697,473 0.764,474 32.819,475 0.631,476 34.301,477 1.106,478 8.495,479 0.274,480 6.353,481 0.205,482 0.135,483 0.055,484 0.231,487 0.583,488 1.142,489 0.707,490 1.066,491 0.694,492 0.863,493 0.5,494 1.04,495 0.795,496 0.956,497 0.482,498 0.981,499 0.966,500 1.062,501 1.141,502 1.112,503 0.908,504 1.051,505 1.065,506 1.109,507 1.117,508 1.126,509 1.095,510 1.116,511 0.88,512 1.038,513 0.66,514 0.872,515 0.967,516 1.001,517 0.622,518 1.056,519 0.745,520 1.043,521 0.585,522 0.997,523 1.208,524 0.928,525 0.891,526 0.928,527 1.258,528 0.984,529 1.163,530 0.969,531 0.938,532 0.914,533 1.194,534 1.063,535 7,536 0.219,537 4,538 1.813,539 1.036,540 1.111,541 0.81,542 0.424,543 0.25,544 0.188,545 13783,546 48768,547 2.004,548 40.4,550 13,552 2,553 2,554 2,555 2,558 1.733,559 1.869,560 3.67,561 0.225,563 1,567 90.142,568 1.734,569 3.723,570 4.662,571 5.186,572 5.239,573 5.239,574 3.112,575 4.26,576 4.926,577 3.903,578 1815,579 8.584,580 27521.3,585 296.423,586 1.525,587 4.873,588 0.212,589 0.01,590 0.089,591 0.04,592 0.025,593 0.027,594 0.019,595 0.012,596 0.009,597 0.008,598 0.452,599 0.33,600 1,601 1.064,602 164.68,603 0.03,604 -0.035,605 0.121,606 -0.023,607 -0.129,608 0.045,609 0.249,610 0.03,611 -0.007,612 -0.006,613 0.25,614 -0.072,615 -0.127,616 -0.052,617 -0.137,618 -0.065,619 -0.064,620 -0.064,621 -0.16,622 -0.113,623 -0.188,624 -0.123,625 -0.132,626 -0.136,627 -0.071,628 -0.05,629 0.081,630 0.032,631 -0.114,632 -0.025,633 0.17,634 -0.075,635 0.137,636 -0.093,637 0.176,638 0.01,639 -0.083,640 0.01,641 -0.042,642 0.003,643 -0.067,644 -0.005,645 -0.163,646 -0.055,647 -0.092,648 -0.021,649 -0.167,650 -0.075,651 4.517,652 5.345,653 0.581,654 34.951,655 1.014,656 1.113,657 2.872,658 8.247,659 0.711,660 3.526,661 3.829,662 4.007,663 4.174,664 4.382,665 4.419,666 4.419,667 4.394,668 4.443,669 4.489,670 8.068,671 0.677,672 456.98,673 3.526,674 5.056,675 5.872,676 6.73,677 7.567,678 8.43,679 9.275,680 10.14,681 10.989,682 11.855,683 3.8,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 52,726 22,727 2,728 33,730 54,731 23,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 2,753 20,754 3,756 4,760 1,761 3,763 1,765 2,769 1,772 21,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 3,847 1,861 1,862 7.7,864 1,865 3,869 16.583,870 9.043,871 6.847,872 2.9,874 2.951,875 1.409,876 0.967,877 7.721,878 10.158,879 3.85,880 4.449,881 4.914,882 5.407,883 5.918,884 6.09,885 6.334,886 6.462,887 6.725,888 6.982,889 0.889,890 45,891 11.659,893 5.142,894 8.071,895 21.354,897 17.317,899 2.571,900 79.694,903 1,904 223.651,905 154.019,906 33.191,907 39.149,908 112.141,910 5.807,911 148.212,912 374.941,913 33.191,915 7.175,916 126.451,917 153.379,918 35.888,920 200.109,921 39.149,922 223.651,923 181.402,924 112.141,925 44.956,927 200.109,928 135.683,931 41.675,932 113.466,933 71.218,935 223.651,936 145.332,937 193.168,939 5.807,940 223.651,941 25.878,942 122.334,943 16.405,944 168.075,945 223.651,946 145.332,947 193.168,949 0.579,950 0.315,951 0.156,952 0.09,953 19,954 9,955 0.167,956 9,958 1,959 4.262,960 259.289,962 18,963 143.58,967 1,968 22.858,969 10.472,970 6.58,972 145.332,973 20.594,974 4.108,978 3.275,980 59.088,981 562.151,982 46,986 -3.601,987 35.707,989 1.661,991 -0.128,994 52.749,995 57.85,996 0.304,997 0.653,998 0.818,999 0.91,1000 0.919,1001 0.919,1002 5.066,1003 1.53,1004 5.872,1005 4.758,1006 4.511,1007 5.136,1008 2.35,1009 6.671,1010 4.435,1011 6.297,1012 1.152,1013 7.434,1014 3.583,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.629,1021 1.018,1022 9.115,1023 2.604,1024 6.138,1025 7.399,1026 3.742,1027 10.833,1028 5.973,1029 9.005,1030 1,1031 10.875,1032 2.376,1033 6.661,1034 8.196,1035 4.213,1036 12.881,1037 6.376,1038 10.419,1039 1,1040 12.688,1041 2.275,1042 8.107,1043 10.011,1044 5.351,1045 15.497,1046 7.823,1047 11.86,1048 1,1049 14.541,1050 2.275,1051 9,1052 11.189,1053 6.05,1054 17.844,1055 8.598,1056 13.324,1057 0.264,1058 16.423,1059 2.136,1060 10.272,1061 12.824,1062 7.042,1063 20.369,1064 9.842,1065 3.374,1066 -0.071,1067 18.326,1068 0.615,1069 11.333,1070 14.185,1071 7.838,1072 22.817,1073 10.794,1074 3.018,1075 12.404,1076 20.246,1077 -0.174,1078 12.546,1079 15.751,1080 8.766,1081 25.322,1082 11.954,1083 2.521,1084 10.182,1085 22.179,1086 4.697,1087 13.682,1088 17.202,1089 9.604,1090 27.806,1091 12.99,1092 2.399,1093 7.106,1094 24.121,1095 3.97,1096 14.878,1097 18.744,1098 10.503,1099 30.309,1100 14.117,1101 2.208,1102 6.321,1103 26.071,1104 3.471,1105 16.049,1106 20.24,1107 11.361,1108 32.808,1109 15.192,1110 2.109,1111 6.124,1112 28.027,1113 3.393,1114 17.243,1115 21.776,1116 12.247,1117 35.315,1118 16.307,1119 1.655,1120 5.184,1121 29.988,1122 2.937,1123 18.43,1124 23.294,1125 13.113,1126 37.821,1127 17.4,1128 13484,1129 25546,1130 21.553,1131 36.949,1132 48.964,1133 50.492,1134 49.658,1135 48.777,1136 48.494,1137 66.457,1138 5.279,1139 135.888,1140 46.61,1141 5.744,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 4.03,1148 19.555,1149 5.063,1150 16.985,1151 1.484,1152 1.53,1153 1.505,1154 1.478,1155 1.47,1156 2.014,1157 0.16,1158 4.118,1159 1.412,1160 4.083,1161 4.075,1162 4.736,1163 4.068,1164 7.717,1165 3.992,1166 3.991,1167 4.001,1168 3.954,1169 3.947,1170 7.474,1171 3.929,1172 3.818,1173 3.856,1174 3.924,1175 3.735,1176 6.999,1177 3.733,1178 3.657,1179 3.672,1180 3.747,1181 3.578,1182 6.351,1183 3.516,1184 3.591,1185 3.607,1186 3.517,1187 3.439,1188 4.936,1189 3.439,1190 3.339,1191 3.36,1192 3.264,1193 3.196,1194 4.913,1195 3.181,1196 3.098,1197 3.122,1198 3.154,1199 2.914,1200 4.718,1201 2.926,1202 2.854,1203 2.925,1204 2.996,1205 2.735,1206 4.268,1207 2.715,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.073,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.397,1224 12.404,1225 3.063,1226 1.991,1227 1.977,1228 2.087,1229 2.065,1230 1.274,1231 2.085,1232 1.948,1233 1.95,1234 1.957,1235 2.01,1236 1.165,1237 2.043,1238 1.809,1239 1.775,1240 1.935,1241 1.919,1242 1.083,1243 1.929,1244 1.575,1245 1.548,1246 1.75,1247 1.756,1248 0.867,1249 1.761,1250 1.5,1251 1.491,1252 1.658,1253 1.691,1254 0.832,1255 1.701,1256 1.263,1257 1.252,1258 1.238,1259 1.421,1260 0.527,1261 1.46,1262 1.023,1263 0.997,1264 1.181,1265 1.247,1266 0.325,1267 1.231,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.205,1276 5.509,1278 7.002,1280 8.576,1282 10.192,1285 5.804,1289 9.036,1290 0.654,1291 2.583,1300 35.185,1301 90.142,1302 193.588,1303 242.449,1304 269.668,1305 272.423,1306 272.423,1307 79.971,1308 7.207,1309 96.36,1310 104.74,1311 18,1312 12.405,1313 4.524,1314 3.807,1315 58.509,1316 154,1317 147,1318 0.185,1319 226.05,1320 398.52,1321 543.322,1322 13266,1323 1.9,1324 22.269,1325 0.718,1326 0.584,1327 23.019,1328 18.105,1329 14.848,1330 0.45,1331 0.345,1332 9.586,1333 13.351,1334 9.224,1335 7.638,1336 15.958,1337 11.38,1338 13.652,1339 0.303,1340 0.199,1341 15.383,1342 8.959,1343 10.384,1344 0.192,1345 0.116,1346 11.78,1347 6.277,1348 7.941,1349 0.124,1350 0.065,1351 8.963,1352 4.149,1353 6.341,1354 0.08,1355 0.038,1356 7.3,1357 2.991,1358 0.3,1359 103.557,1360 0.215,1361 29.751,1362 0.484,1363 156,1364 510.398,1365 219.911,1366 546.067,1367 712.26,1368 500,1369 177,1370 452.182,1371 239.974,1372 506.031,1373 725.57,1374 474,1375 6} {0 CHEMBL341094,1 1.682,2 14.727,3 4.393,4 19.3,5 125.745,6 8.079,7 0.514,8 4.14,9 4.234,10 3.888,11 3.748,12 5.293,13 3.703,14 4.653,15 4.793,16 4.146,17 4.11,18 6.035,19 4.041,20 4.934,21 5.128,22 4.164,23 4.243,24 6.092,25 4.14,26 4.968,27 5.166,28 4.08,29 4.212,30 6.132,31 4.106,32 4.957,33 5.166,34 4.085,35 4.204,36 6.054,37 4.096,38 4.96,39 5.184,40 4.072,41 4.212,42 6.201,43 4.084,44 4.931,45 5.163,46 3.948,47 4.156,48 5.985,49 4.033,50 4.846,51 5.067,52 3.911,53 4.045,54 6.004,55 3.947,56 0.125,57 0.863,58 13.277,59 5.935,60 25.688,61 6.679,62 0.44,63 1.365,64 21.349,65 9.708,66 80.577,67 11.539,68 0.476,69 1.729,70 35.008,71 13.553,72 89.798,73 15.788,74 0.581,75 1.7,76 36.262,77 13.479,78 111.684,79 15.786,80 0.549,81 1.661,82 33.535,83 12.792,84 100.778,85 15.819,86 0.691,87 1.729,88 34.46,89 13.336,90 120.846,91 17.265,92 0.424,93 1.599,94 33.618,95 13.085,96 78.653,97 16.844,98 0.402,99 1.475,100 28.814,101 11.5,102 74.59,103 14.647,104 31,105 47,106 0.272,107 0.597,108 0.758,109 0.861,110 0.868,111 0.868,112 3.531,113 1.029,114 -4.41,115 -4.34,116 -4.09,118 43.1,120 4,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 4,194 20,195 1,198 9,203 5,206 16,207 1,210 6,215 3,218 17,219 1,222 8,227 2,229 16,230 2,234 8,239 3,242 13,243 3,247 6,248 1,252 5,255 11,256 3,258 1,259 5,262 1,264 5,267 7,268 1,270 2080,271 21.921,272 21.921,273 21.921,274 21.921,275 21.921,276 19.042,277 13.458,278 13.246,279 22.224,280 17.276,281 17.276,282 17.276,283 17.276,284 17.276,285 12.966,286 6.81,287 6.299,288 17.794,289 4.176,290 2.16,291 1.164,292 0.53,293 0.483,294 0.483,295 4.212,299 1,300 1,301 1013,302 4.637,306 403.746,313 2.209,314 47.02,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 72.5,326 486,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.064,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.909,346 3.039,347 5.415,348 3.516,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.875,356 5.154,357 3.35,358 2.399,359 3.393,361 6.321,362 2.271,363 3.555,364 2.7,365 5.128,366 3.237,367 2.232,368 2.922,370 6.124,371 2.219,372 3.53,373 2.184,374 4.73,375 3.111,376 2.124,377 2.709,379 5.184,380 2.097,381 3.086,382 1.932,383 4.659,384 2.642,385 1.671,386 2.292,388 4.759,389 1.623,390 3.046,391 1.867,392 4.148,393 2.587,394 1.609,395 2.224,397 3.814,398 1.553,399 2.721,400 1.501,401 3.564,402 2.381,403 1.4,404 1.75,406 2.947,407 1.368,408 2.5,409 1.305,410 3.526,411 2.102,412 1.133,413 1.5,415 2.52,416 1.094,417 2.5,418 1.125,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.312,436 1,437 3.282,438 1.957,439 1,440 1.274,442 2.136,443 0.954,444 2.195,445 1,446 3.247,447 1.832,448 0.84,449 1.074,451 1.989,452 0.83,453 1.38,454 0.694,455 2.951,456 1.201,457 0.206,458 0.227,460 0.465,461 0.204,462 15.752,463 0.477,464 0.824,465 0.025,466 43.5,467 1.318,468 24,469 0.727,470 19.5,471 0.591,472 26.568,473 0.805,474 35.848,475 0.618,476 36.004,477 1.091,478 8.626,479 0.261,480 7.222,481 0.219,482 0.103,483 0.053,484 0.222,486 1,487 0.563,488 1.072,489 0.809,490 1.148,491 0.644,492 0.937,493 0.505,494 1.029,495 0.889,496 1.055,497 0.484,498 1.054,499 0.919,500 1.011,501 1.123,502 1.086,503 0.887,504 1.024,505 1.044,506 0.971,507 1.18,508 1.082,509 1.063,510 1.083,511 0.84,512 0.874,513 0.895,514 0.933,515 0.889,516 1.038,517 0.445,518 0.869,519 0.888,520 1.001,521 0.409,522 1.056,523 0.647,524 0.872,525 0.875,526 0.979,527 0.648,528 1.023,529 0.821,530 0.967,531 0.782,532 0.955,533 0.807,534 1.036,535 7,536 0.268,537 4,538 1.938,539 1.116,540 0.889,541 0.647,542 0.51,543 0.308,544 0.248,545 16513,546 55846,547 2.004,548 43.1,549 4,550 13,552 2,553 2,554 2,555 2,558 1.75,559 1.877,560 3.793,561 0.192,563 1,567 97.57,568 1.682,569 3.698,570 4.694,571 5.328,572 5.375,573 5.375,574 3.222,575 4.56,576 5.013,577 4.015,578 2119.82,579 8.769,580 34004.9,585 339.763,586 1.478,587 4.968,588 0.2,589 0.01,590 0.085,591 0.041,592 0.026,593 0.021,594 0.015,595 0.013,596 0.008,597 0.008,598 0.428,599 0.17,600 0.75,601 1.33,602 179.449,603 0.027,604 -0.029,605 0.161,606 -0.014,607 -0.094,608 0.044,609 0.207,610 -0.03,611 -0.009,612 -0.046,613 0.21,614 -0.09,615 -0.09,616 -0.029,617 -0.078,618 -0.024,619 -0.054,620 -0.016,621 -0.146,622 -0.052,623 -0.17,624 -0.068,625 -0.129,626 -0.093,627 -0.085,628 -0.047,629 -0.023,630 -0.008,631 -0.117,632 -0.051,633 0.211,634 0.044,635 0.027,636 -0.036,637 0.212,638 -0.038,639 -0.001,640 -0.028,641 0.01,642 -0.034,643 0.002,644 0.004,645 -0.027,646 -0.083,647 0.03,648 -0.065,649 -0.016,650 -0.038,651 4.615,652 5.318,653 0.545,654 41.971,655 1.012,656 1.122,657 3.182,658 10.125,659 0.682,660 3.584,661 3.871,662 4.043,663 4.205,664 4.394,665 4.419,666 4.466,667 4.489,668 4.511,669 4.575,670 8.585,671 0.652,672 468.59,673 3.584,674 5.106,675 5.916,676 6.767,677 7.598,678 8.456,679 9.296,680 10.157,681 11.002,682 11.865,683 3.4,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 58,726 22,727 2,728 35,730 60,731 25,733 17,734 4,735 8,736 2,739 3,740 3,751 4,753 20,754 5,756 4,760 1,761 3,763 1,765 2,769 1,770 1,772 25,773 7,774 2,775 8,776 1,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,838 1,840 33,844 1,845 1,846 5,847 1,861 1,862 6.9,864 1,865 3,869 17.583,870 10.043,871 7.347,872 3.4,874 2.924,875 1.4,876 0.961,877 8.621,878 10.227,879 3.892,880 4.472,881 4.929,882 5.407,883 5.91,884 6.058,885 6.313,886 6.462,887 6.692,888 6.97,889 0.9,890 47,891 12.464,893 5.507,894 8.124,895 22.847,897 18.542,899 2.624,900 86.583,904 270.735,905 164.709,906 33.191,908 112.141,909 14.96,910 5.807,911 158.901,912 382.877,913 48.151,915 12.244,916 126.451,917 153.379,918 41.509,919 14.96,920 247.193,922 270.735,923 192.092,924 127.101,925 5.807,927 262.153,928 135.683,931 46.744,932 119.086,933 32.069,935 285.695,936 145.332,937 164.709,939 5.807,940 270.735,941 36.568,942 122.334,943 16.405,944 143.887,945 270.735,946 160.292,947 164.709,949 0.574,950 0.312,951 0.154,952 0.085,953 19,954 9,955 0.183,956 11,958 1,959 4.47,960 278.663,962 18,963 156.465,967 1,968 24.473,969 11.624,970 7.436,972 160.292,973 19.736,974 4.177,978 2.391,980 59.088,981 595.736,982 48,986 -3.698,987 35.411,989 2.02,991 0.155,994 58.705,995 65.076,996 0.287,997 0.631,998 0.801,999 0.909,1000 0.918,1001 0.918,1002 5.103,1003 1.609,1004 5.905,1005 4.759,1006 4.554,1007 5.159,1008 2.258,1009 6.691,1010 4.495,1011 6.322,1012 1.4,1013 7.458,1014 3.814,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.056,1020 7.647,1021 1.133,1022 9.131,1023 2.947,1024 6.163,1025 7.406,1026 3.628,1027 10.837,1028 6.021,1029 9.018,1030 1,1031 10.884,1032 2.52,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.403,1038 10.427,1039 1,1040 12.694,1041 2.275,1042 8.119,1043 10.012,1044 5.201,1045 15.497,1046 7.856,1047 11.866,1048 1,1049 14.544,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.618,1056 13.328,1057 0.84,1058 16.424,1059 2.136,1060 10.277,1061 12.823,1062 6.849,1063 20.369,1064 9.864,1065 3.374,1066 0.206,1067 18.327,1068 1.989,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.808,1074 3.016,1075 12.404,1076 20.247,1077 0.465,1078 12.547,1079 15.75,1080 8.526,1081 25.322,1082 11.968,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 12.999,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 10.216,1099 30.309,1100 14.125,1101 2.232,1102 6.321,1103 26.071,1104 3.471,1105 16.047,1106 20.24,1107 11.051,1108 32.808,1109 15.198,1110 2.124,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 11.912,1117 35.314,1118 16.312,1119 1.671,1120 5.184,1121 29.988,1122 2.922,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.404,1128 16206,1129 30014,1130 22.94,1131 39.551,1132 51.442,1133 52.998,1134 52.276,1135 51.214,1136 51.047,1137 69.004,1138 4.682,1139 140.992,1140 49.598,1141 5.744,1142 6.683,1143 7.095,1144 5.335,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.064,1150 17.959,1151 1.47,1152 1.514,1153 1.494,1154 1.463,1155 1.458,1156 1.972,1157 0.134,1158 4.028,1159 1.417,1160 4.085,1161 4.079,1162 4.735,1163 4.064,1164 8.201,1165 3.991,1166 3.993,1167 4.005,1168 3.953,1169 3.949,1170 7.717,1171 3.929,1172 3.819,1173 3.858,1174 3.751,1175 3.736,1176 7.474,1177 3.734,1178 3.698,1179 3.743,1180 3.72,1181 3.562,1182 6.999,1183 3.549,1184 3.656,1185 3.668,1186 3.579,1187 3.542,1188 6.351,1189 3.498,1190 3.423,1191 3.444,1192 3.346,1193 3.29,1194 4.923,1195 3.282,1196 3.272,1197 3.308,1198 3.15,1199 3.098,1200 4.72,1201 3.089,1202 2.999,1203 3.04,1204 2.871,1205 2.805,1206 4.584,1207 2.814,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.067,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.064,1226 1.993,1227 1.977,1228 2.093,1229 2.068,1230 1.3,1231 2.088,1232 1.947,1233 1.949,1234 1.97,1235 2.021,1236 1.233,1237 2.049,1238 1.812,1239 1.777,1240 1.951,1241 1.923,1242 1.14,1243 1.934,1244 1.68,1245 1.631,1246 1.889,1247 1.856,1248 1.026,1249 1.868,1250 1.538,1251 1.524,1252 1.7,1253 1.723,1254 0.865,1255 1.742,1256 1.351,1257 1.337,1258 1.51,1259 1.54,1260 0.667,1261 1.54,1262 1.211,1263 1.18,1264 1.211,1265 1.407,1266 0.509,1267 1.437,1268 0.947,1269 0.906,1270 1.181,1271 1.182,1272 0.323,1273 1.182,1274 4.263,1276 5.557,1278 7.038,1280 8.602,1282 10.211,1286 13.019,1289 8.852,1290 1.989,1291 2.532,1300 37.794,1301 97.57,1302 214.464,1303 272.279,1304 309.008,1305 311.763,1306 311.763,1307 96.767,1308 7.302,1309 96.36,1310 104.74,1311 18,1312 12.417,1313 4.524,1314 3.807,1315 64.462,1316 172,1317 168,1318 0.18,1319 238.1,1320 423.98,1321 572.724,1322 15053,1323 1.7,1324 23.684,1325 0.718,1326 0.569,1327 23.063,1328 18.763,1329 15.848,1330 0.453,1331 0.343,1332 10.531,1333 14.542,1334 10.206,1335 8.464,1336 16.275,1337 12.002,1338 14.359,1339 0.306,1340 0.196,1341 15.06,1342 9.211,1343 10.876,1344 0.194,1345 0.116,1346 11.572,1347 6.487,1348 8.348,1349 0.126,1350 0.066,1351 9.065,1352 4.334,1353 6.556,1354 0.082,1355 0.037,1356 7.09,1357 2.966,1358 0.293,1359 107.248,1360 0.209,1361 31.447,1362 0.469,1363 164,1364 578.306,1365 216.222,1366 554.304,1367 723.74,1368 508,1369 185,1370 476.653,1371 241.126,1372 514.129,1373 736.56,1374 482,1375 8.398} {0 CHEMBL341211,1 1.619,2 9.818,3 2.819,4 7.948,5 82.412,6 7.676,7 0.522,8 3.753,9 3.861,10 3.327,11 3.265,12 4.985,13 3.256,14 4.216,15 4.372,16 3.564,17 3.573,18 5.446,19 3.532,20 4.464,21 4.691,22 3.556,23 3.61,24 5.532,25 3.552,26 4.372,27 4.589,28 3.535,29 3.486,30 5.501,31 3.46,32 4.314,33 4.495,34 3.559,35 3.473,36 5.504,37 3.475,38 4.329,39 4.512,40 3.472,41 3.53,42 5.545,43 3.479,44 4.326,45 4.563,46 3.242,47 3.535,48 5.324,49 3.405,50 4.257,51 4.524,52 3.024,53 3.434,54 5.093,55 3.269,56 0.123,57 0.551,58 7.508,59 3.57,60 13.378,61 4.396,62 0.231,63 0.819,64 13.26,65 5.437,66 39.988,67 7.157,68 0.376,69 0.954,70 19.853,71 6.359,72 52.213,73 8.816,74 0.403,75 0.863,76 18.093,77 5.352,78 48.473,79 7.373,80 0.413,81 0.82,82 16.532,83 4.822,84 45.754,85 6.228,86 0.52,87 0.852,88 16.486,89 5.192,90 54.588,91 6.895,92 0.328,93 0.848,94 16.835,95 6.071,96 37.295,97 8.677,98 0.188,99 0.772,100 16.117,101 6.043,102 26.002,103 8.85,104 12,105 28,106 0.29,107 0.617,108 0.77,109 0.86,110 0.873,111 0.873,112 3.145,113 0.916,114 -3.47,115 -3.45,116 -3.29,118 41,120 3,124 1,140 7,141 1,143 1,144 1,153 1,154 1,162 2,163 1,167 1,168 9,169 1,172 5,175 1,177 1,180 7,181 1,185 1,186 10,191 1,194 4,195 1,197 2,198 12,203 1,206 3,209 1,210 9,211 1,218 5,221 1,222 5,223 1,225 1,229 7,233 1,234 3,237 1,242 8,247 2,255 7,256 1,259 2,260 1,264 1,267 4,268 3,270 812,271 15.071,272 15.071,273 15.071,274 15.071,275 15.071,276 13.203,277 8.2,278 9.69,279 15.26,280 11.415,281 11.415,282 11.415,283 11.415,284 11.415,285 8.755,286 5.628,287 4.671,288 11.687,289 3.667,290 1.837,291 0.985,292 0.481,293 0.41,294 0.41,295 3.813,298 1,299 1,300 1,301 445,302 3.606,306 165.299,313 1.413,314 21.743,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 216,327 4.369,328 3.999,329 6.498,330 3.985,331 3.006,332 3.943,333 2.373,334 10.173,335 2.94,336 3.736,337 3.596,338 5.247,339 3.262,340 2.278,341 3.298,342 2.341,343 6.4,344 2.239,345 3.55,346 2.937,347 4.659,348 3.24,349 2.235,350 2.71,352 5.184,353 2.22,354 3.279,355 2.278,356 4.223,357 2.786,358 1.828,359 2.58,361 4.066,362 1.747,363 2.792,364 1.806,365 3.73,366 2.605,367 1.634,368 1.908,370 3.366,371 1.578,372 2.781,373 1.66,374 3.555,375 2.297,376 1.317,377 1.814,379 2.88,380 1.289,381 2.503,382 1.317,383 3.4,384 2.146,385 1.172,386 1.5,388 2.524,389 1.133,390 2.5,391 1.157,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.983,403 1,404 1.439,406 2.136,407 0.982,408 1.932,409 1,410 3,411 1.622,412 0.671,413 0.815,415 1.531,416 0.631,417 1.234,418 0.809,419 2.459,420 1.094,421 0.097,422 0.105,424 0.212,425 0.096,426 0.772,427 0.504,428 2.198,429 0.408,430 -0.555,431 -0.615,433 -1.223,434 -0.522,435 0.719,436 0.008,437 1.879,438 0.29,439 -0.705,440 -0.952,442 -1.547,443 -0.7,444 0.5,445 -0.614,446 1.555,447 0.027,448 -1,449 -1.213,451 -2,452 -0.936,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.439,460 -2.204,461 -0.949,462 10.2,463 0.464,464 0.315,465 0.014,466 28.25,467 1.284,468 15,469 0.682,470 13.25,471 0.602,472 14.756,473 0.671,474 24,475 0.615,476 19.559,477 0.889,478 5.914,479 0.269,480 4.857,481 0.221,482 0.065,484 0.196,487 0.664,488 1.095,489 0.763,490 1.075,491 0.684,492 0.973,493 0.701,494 1.34,495 0.917,496 1.228,497 0.488,498 1.14,499 1.061,500 1.009,501 0.947,502 0.91,503 0.995,504 0.905,505 1.208,506 0.98,507 0.952,508 0.866,509 0.975,510 0.849,511 1.595,512 1.039,513 1.097,514 0.859,515 1.144,516 0.865,517 1.173,518 1.018,519 1.25,520 0.975,521 0.983,522 1.089,523 0.578,524 0.961,525 1.096,526 1.069,527 0.421,528 1.168,529 0.391,530 0.992,531 0.985,532 1.139,533 0.43,534 1.173,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.135,543 0.066,544 0.131,545 4971,546 16273,547 2.022,548 43.6,549 2,550 9,552 1,553 1,554 2,555 2,558 1.645,559 1.941,560 3.247,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.448,570 4.301,571 4.805,572 4.875,573 4.875,574 2.642,575 3.334,576 4.424,577 3.459,578 798.953,579 7.606,580 9279.7,581 1,582 1,583 1,584 1,585 206.131,586 1.096,587 4.414,588 0.109,589 0.008,590 0.056,591 0.037,592 0.018,593 0.009,594 0.01,595 0.007,596 0.004,597 0.009,598 0.267,599 0.5,600 1,601 1.936,602 103.058,603 0.098,604 0.081,605 0.033,606 0.013,607 -0.012,609 0.083,610 -0.264,611 -0.055,612 -0.182,613 0.177,614 -0.156,615 -0.108,616 -0.031,617 0.035,618 0.049,619 -0.113,620 0.066,621 -0.091,622 0.023,623 0.052,624 0.057,625 -0.092,626 0.081,627 -0.259,628 -0.004,629 -0.1,630 0.065,631 -0.198,632 0.025,633 -0.043,634 0.038,635 -0.296,636 -0.027,637 -0.091,638 -0.176,639 0.045,640 0.037,641 -0.173,642 -0.071,643 0.054,644 -0.154,645 0.049,646 -0.05,647 -0.057,648 -0.121,649 0.022,650 -0.108,651 2.465,652 3.427,653 0.545,654 20.182,655 1.012,656 1.129,657 2.239,658 5.011,659 0.659,660 3.178,661 3.367,662 3.526,663 3.714,664 3.871,665 3.761,666 3.829,667 3.807,668 3.714,669 3.611,670 6.082,671 0.638,672 299.36,673 3.178,674 4.635,675 5.416,676 6.229,677 7.036,678 7.862,679 8.684,680 9.517,681 10.347,682 11.185,683 7.7,692 1,693 2,699 8,700 2,704 2,706 12,709 1,724 39,726 14,727 1,728 23,730 40,731 16,733 10,734 1,735 5,736 1,739 2,740 2,751 3,753 12,754 4,756 2,761 1,764 1,765 2,768 1,769 1,772 17,773 6,774 1,775 6,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,840 22,845 1,846 4,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 6.8,871 5.139,872 2.332,874 2.058,875 1.335,876 0.907,877 6.37,878 8.209,879 3.466,880 3.932,881 4.401,882 4.907,883 5.398,884 5.393,885 5.769,886 5.984,887 6.097,888 6.196,889 1,890 27,891 8.055,893 3.227,894 7.962,895 15.074,897 11.466,899 2.462,900 54.167,904 188.338,905 97.186,906 52.726,908 79.047,911 97.186,912 267.385,913 52.726,915 12.196,916 66.334,917 116.592,918 45.608,920 176.567,922 188.338,923 149.912,924 79.047,927 164.795,928 102.589,931 43.4,932 73.186,933 33.326,935 188.338,936 131.773,937 97.186,940 188.338,941 21.805,942 75.381,944 131.773,945 188.338,946 131.773,947 97.186,949 0.543,950 0.291,951 0.16,952 0.088,953 10,954 4,955 0.2,956 8,958 1,959 3.547,960 152.083,962 12,963 94.107,968 15.964,969 8.779,970 5.482,972 131.773,973 14.772,974 7.912,978 1.507,980 42.683,981 417.297,982 31,987 10.427,990 4.148,991 -0.194,994 39.473,995 44.03,996 0.306,997 0.652,998 0.814,999 0.909,1000 0.922,1001 0.922,1002 4.615,1003 1,1004 5.313,1005 2.524,1006 4.043,1007 4.615,1008 3.036,1009 5.984,1010 3.999,1011 5.754,1012 1,1013 6.772,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.16,1020 6.995,1021 0.671,1022 8.345,1023 2.136,1024 5.468,1025 6.643,1026 4.616,1027 9.804,1028 5.384,1029 8.275,1030 0.097,1031 9.999,1032 1.531,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.463,1038 9.592,1039 -0.555,1040 11.71,1041 0.212,1042 7.201,1043 8.965,1044 6.289,1045 14.116,1046 7.077,1047 10.938,1048 -0.705,1049 13.464,1050 -1.223,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.642,1056 12.308,1057 -1,1058 15.248,1059 -1.547,1060 9.128,1061 11.447,1062 7.991,1063 18.633,1064 8.962,1065 3.006,1066 -1,1067 17.055,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.784,1074 2.278,1075 10.173,1076 18.878,1077 -2.204,1078 11.178,1079 14.023,1080 9.704,1081 23.227,1082 10.966,1083 2.235,1084 6.4,1085 20.713,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 11.92,1092 1.828,1093 5.184,1094 22.556,1095 3.298,1096 13.298,1097 16.66,1098 11.42,1099 27.849,1100 13.04,1101 1.634,1102 4.066,1103 24.406,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.058,1110 1.317,1111 3.366,1112 26.261,1113 2.58,1114 15.457,1115 19.335,1116 13.139,1117 32.481,1118 15.152,1119 1.172,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.202,1128 5050,1129 9238,1130 15.485,1131 25.71,1132 32.928,1133 34.84,1134 32.962,1135 32.518,1136 32.478,1137 43.225,1138 9.428,1139 81.215,1140 31.711,1141 5.256,1142 5.999,1143 6.322,1144 5.021,1145 5.006,1146 6.943,1147 4.746,1148 16.907,1149 4.94,1150 8.884,1151 1.432,1152 1.515,1153 1.433,1154 1.414,1155 1.412,1156 1.879,1157 0.41,1158 3.531,1159 1.379,1160 3.964,1161 3.997,1162 3.916,1163 3.884,1164 7.474,1165 3.884,1166 3.768,1167 3.815,1168 3.703,1169 3.646,1170 6.351,1171 3.655,1172 3.727,1173 3.775,1174 3.6,1175 3.568,1176 5.095,1177 3.563,1178 3.419,1179 3.445,1180 3.329,1181 3.151,1182 4.86,1183 3.183,1184 3.19,1185 3.234,1186 3.106,1187 3.026,1188 4.676,1189 3.036,1190 2.87,1191 2.925,1192 2.701,1193 2.735,1194 4.035,1195 2.715,1196 2.854,1197 2.917,1198 2.687,1199 2.552,1200 3.889,1201 2.576,1202 2.671,1203 2.755,1204 2.548,1205 2.524,1206 3.785,1207 2.527,1208 0.19,1209 0.174,1210 0.283,1211 0.173,1212 0.131,1213 4.369,1214 0.171,1215 3.999,1216 0.103,1217 6.498,1218 0.442,1219 3.985,1220 0.128,1221 3.006,1222 3.943,1223 2.373,1224 10.173,1225 2.94,1226 1.927,1227 1.9,1228 2.032,1229 2.028,1230 1.276,1231 2.027,1232 1.734,1233 1.691,1234 1.949,1235 1.896,1236 1.103,1237 1.912,1238 1.703,1239 1.651,1240 1.852,1241 1.88,1242 0.848,1243 1.877,1244 1.305,1245 1.268,1246 1.555,1247 1.605,1248 0.77,1249 1.576,1250 1.132,1251 1.09,1252 1.276,1253 1.342,1254 0.347,1255 1.315,1256 0.886,1257 0.821,1258 1.181,1259 1.12,1260 0.218,1261 1.111,1262 0.756,1263 0.707,1264 1.086,1265 1.062,1266 0.209,1267 1.107,1268 0.676,1269 0.613,1270 0.96,1271 0.887,1272 0.021,1273 0.908,1274 3.85,1276 5.069,1278 6.482,1280 7.987,1282 9.547,1289 8.572,1290 1.71,1292 5.314,1300 24.896,1301 63.134,1302 134.479,1303 167.724,1304 187.376,1305 190.131,1306 190.131,1307 41.006,1308 6.151,1309 84.67,1310 84.67,1311 12,1312 11.755,1313 3.907,1314 3.17,1315 42.222,1316 74,1317 90,1318 0.26,1319 158.414,1320 277.09,1321 378.289,1322 3028,1324 15.623,1325 0.71,1326 0.548,1327 15.623,1328 12.053,1329 10.771,1330 0.468,1331 0.305,1332 6.92,1333 10.274,1334 6.811,1335 5.687,1336 10.771,1337 7.024,1338 8.845,1339 0.316,1340 0.164,1341 8.845,1342 4.599,1343 6.58,1344 0.199,1345 0.088,1346 6.58,1347 2.894,1348 5.267,1349 0.132,1350 0.046,1351 5.267,1352 1.824,1353 4.159,1354 0.088,1355 0.024,1356 4.159,1357 1.135,1358 0.411,1359 68.188,1360 0.254,1361 22.147,1362 0.701,1363 102,1364 366.556,1365 114.136,1366 348.715,1367 461.15,1368 324,1369 112,1370 330.981,1371 123.254,1372 328.108,1373 462.6,1374 308,1375 4} {0 CHEMBL341426,1 1.874,2 10.577,3 3.601,4 12.966,5 87.375,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.159,13 3.352,14 4.368,15 4.515,16 3.901,17 3.637,18 6.145,19 3.658,20 4.55,21 4.746,22 3.836,23 3.712,24 5.841,25 3.71,26 4.574,27 4.777,28 3.837,29 3.625,30 5.935,31 3.661,32 4.495,33 4.668,34 3.85,35 3.596,36 5.879,37 3.655,38 4.505,39 4.674,40 3.833,41 3.641,42 5.978,43 3.654,44 4.526,45 4.732,46 3.81,47 3.658,48 6.011,49 3.622,50 4.492,51 4.724,52 3.627,53 3.571,54 5.777,55 3.534,56 0.281,57 0.802,58 6.17,59 3.909,60 45.126,61 4.069,62 1.027,63 1.509,64 13.975,65 6.115,66 173.83,67 6.732,68 0.798,69 1.276,70 19.397,71 7.181,72 103.784,73 8.681,74 1.039,75 1.309,76 21.541,77 6.751,78 142.845,79 7.493,80 0.919,81 1.234,82 18.197,83 6.016,84 113.575,85 6.231,86 1.053,87 1.25,88 17.664,89 6.209,90 117.124,91 6.973,92 1.081,93 1.256,94 19.262,95 6.951,96 100.229,97 9.034,98 0.756,99 1.347,100 19.399,101 7.257,102 106.417,103 8.803,104 36,105 36,106 0.33,107 0.682,108 0.832,109 0.897,110 0.897,111 0.897,112 3.304,113 0.859,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 5,141 2,143 1,144 1,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 1,186 8,191 1,194 4,195 1,197 1,198 10,203 1,206 2,209 1,210 7,211 1,218 3,221 2,222 5,223 1,225 1,229 5,233 1,234 3,237 1,242 6,247 3,255 6,256 1,259 2,260 1,264 1,267 3,268 3,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.497,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.229,289 3.518,290 1.524,291 0.675,292 0.304,293 0.304,294 0.304,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.434,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.199,331 3.327,332 4.031,333 3.825,334 11.708,335 3.01,336 4.287,337 3.999,338 6.494,339 3.938,340 2.982,341 3.669,342 2.373,343 10.157,344 2.762,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.216,358 2.235,359 2.71,361 5.184,362 2.138,363 3.252,364 2.347,365 4.601,366 2.772,367 1.837,368 2.489,370 4.714,371 1.701,372 2.806,373 1.92,374 4.097,375 2.603,376 1.655,377 1.918,379 3.696,380 1.553,381 2.788,382 1.726,383 3.709,384 2.314,385 1.372,386 1.818,388 3.224,389 1.279,390 2.574,391 1.454,392 3.498,393 2.146,394 1.185,395 1.603,397 2.629,398 1.129,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.942,412 1,413 1.441,415 2.136,416 0.939,417 1.932,418 1,419 3.041,420 1.619,421 0.673,422 0.816,424 1.556,425 0.63,426 1.234,427 0.814,428 2.73,429 1.091,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.413,439 -0.549,440 -0.613,442 -1.231,443 -0.515,444 0.744,445 0.51,446 2.288,447 0.315,448 -0.658,449 -0.876,451 -1.549,452 -0.638,453 0.625,454 0.504,455 2,456 0.183,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.901,473 0.765,474 29.843,475 0.711,476 26.46,477 1.018,478 6.637,479 0.255,480 5.739,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.646,492 0.976,493 0.506,494 0.803,495 0.739,496 1.064,497 0.388,498 1.041,499 0.766,500 0.905,501 0.82,502 1.016,503 0.666,504 0.977,505 1.167,506 1.054,507 1.016,508 0.921,509 1.052,510 0.887,511 1.218,512 1.012,513 1.026,514 0.919,515 0.975,516 0.878,517 0.894,518 0.851,519 1.079,520 0.98,521 0.846,522 1.089,523 0.421,524 0.812,525 0.816,526 1.039,527 0.472,528 1.123,529 0.823,530 1.237,531 0.954,532 1.251,533 0.846,534 1.196,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31911,547 1.943,548 38.1,549 2,550 7,552 2,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,563 1,567 78.726,568 1.874,569 3.868,570 4.717,571 5.089,572 5.089,573 5.089,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.082,608 -0.01,609 0.339,610 0.239,611 0.082,612 -0.021,613 0.421,614 -0.084,615 -0.06,616 -0.142,617 0.076,618 -0.038,619 -0.014,620 0.046,621 -0.202,622 -0.107,623 -0.033,624 0.033,625 -0.157,626 0.08,627 -0.265,628 -0.11,629 -0.105,630 0.022,631 -0.171,632 0.042,633 0.013,634 0.073,635 -0.188,636 -0.02,637 -0.055,638 -0.162,639 0.343,640 0.073,641 0.109,642 -0.054,643 0.208,644 -0.101,645 -0.033,646 -0.265,647 0.019,648 -0.237,649 -0.02,650 -0.13,651 5.732,652 4.946,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.428,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.034,893 4.616,894 8.542,895 17.097,897 13.186,899 3.042,900 79.083,903 1,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 47.381,917 128.608,918 102.293,920 153.024,921 7.76,922 176.567,923 150.768,924 123.927,927 153.024,928 147.47,931 59.778,932 57.419,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 24.99,942 65.047,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 117.457,968 19.711,969 9.188,970 6.33,972 176.898,973 8.894,974 7.778,978 -0.299,980 42.683,981 451.262,982 35,987 10.449,990 3.916,991 -0.768,994 43.894,995 48.464,996 0.348,997 0.717,998 0.875,999 0.944,1000 0.944,1001 0.944,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.173,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.7,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.649,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 5.992,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.441,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.171,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.405,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.322,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.464,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.47,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.575,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.622,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.714,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.781,1128 7498,1129 15840,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.758,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.067,1141 5.384,1142 6.46,1143 6.943,1144 5.27,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.01,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.473,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.373,1160 3.988,1161 4.018,1162 3.953,1163 3.906,1164 8.513,1165 3.91,1166 3.79,1167 3.837,1168 3.748,1169 3.641,1170 7.999,1171 3.659,1172 3.727,1173 3.775,1174 3.601,1175 3.567,1176 7.999,1177 3.563,1178 3.431,1179 3.46,1180 3.393,1181 3.155,1182 7.474,1183 3.194,1184 3.33,1185 3.369,1186 3.283,1187 3.067,1188 6.351,1189 3.104,1190 3.132,1191 3.182,1192 3.062,1193 2.909,1194 5.067,1195 2.934,1196 2.865,1197 2.915,1198 2.696,1199 2.593,1200 4.845,1201 2.594,1202 2.777,1203 2.859,1204 2.63,1205 2.55,1206 4.624,1207 2.583,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.199,1220 0.111,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.01,1226 1.939,1227 1.916,1228 2.023,1229 2.041,1230 1.276,1231 2.033,1232 1.728,1233 1.684,1234 1.948,1235 1.904,1236 1.133,1237 1.913,1238 1.701,1239 1.649,1240 1.826,1241 1.888,1242 0.81,1243 1.877,1244 1.304,1245 1.267,1246 1.554,1247 1.608,1248 0.768,1249 1.577,1250 1.158,1251 1.123,1252 1.246,1253 1.455,1254 0.316,1255 1.37,1256 1.024,1257 0.975,1258 1.202,1259 1.298,1260 0.251,1261 1.255,1262 0.763,1263 0.71,1264 1.085,1265 1.111,1266 0.208,1267 1.106,1268 0.758,1269 0.684,1270 1.052,1271 0.996,1272 0.02,1273 1.022,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.837,1289 8.573,1290 1.021,1292 5.165,1296 -4.482,1300 27.573,1301 78.726,1302 162.461,1303 198.113,1304 213.722,1305 213.722,1306 213.722,1307 80.08,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.286,1332 7.551,1333 11.582,1334 7.488,1335 6.177,1336 11.165,1337 7.735,1338 11.437,1339 0.318,1340 0.147,1341 9.479,1342 5.297,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.32,1348 6.108,1349 0.125,1350 0.042,1351 5.575,1352 2.074,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.313,1358 0.42,1359 80.069,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 155.208,1366 536.865,1367 679.64,1368 494,1369 140,1370 459.449,1371 161.48,1372 439.405,1373 647.72,1374 410,1375 4} {0 CHEMBL341591,1 1.177,2 8.917,3 3.811,4 14.528,5 99.176,6 5.586,8 4.144,9 4.286,10 3.486,11 3.706,12 4.864,13 3.619,14 4.818,15 5.022,16 3.908,17 4.241,18 5.436,19 4.114,20 5.255,21 5.494,22 4.09,23 4.553,24 5.863,25 4.384,26 5.495,27 5.772,28 4.043,29 4.67,30 6.037,31 4.447,32 5.574,33 5.901,34 3.898,35 4.587,36 6.06,37 4.329,38 5.387,39 5.721,40 3.608,41 4.339,42 5.916,43 4.075,44 5.089,45 5.423,46 3.337,47 4.051,48 5.601,49 3.786,50 4.823,51 5.157,52 3.068,53 3.761,54 5.361,55 3.499,56 0.081,57 0.833,58 15.689,59 6.762,60 5.706,61 9.608,62 0.15,63 1.502,64 29.162,65 12.668,66 9.866,67 17.991,68 0.24,69 2.158,70 43.356,71 18.692,72 20.54,73 26.568,74 0.273,75 2.581,76 52.755,77 22.648,78 25.156,79 32.491,80 0.315,81 2.561,82 54.373,83 22.251,84 28.137,85 32.486,86 0.337,87 2.055,88 45.073,89 17.367,90 29.594,91 25.631,92 0.227,93 1.525,94 33.265,95 13.122,96 19.599,97 19.251,98 0.191,99 1.154,100 25.553,101 9.754,102 16.574,103 14.403,104 10,105 45,106 0.196,107 0.439,108 0.722,109 0.87,110 0.897,111 0.897,112 3.231,113 1.137,114 -5.7,115 -5.57,116 -5.19,118 37.3,119 2,120 9,121 4,122 2,124 1,126 2,133 1,134 1,168 21,177 3,180 35,191 3,194 40,203 4,206 29,215 7,218 20,227 4,229 15,239 4,242 9,252 4,255 2,264 6,270 662,271 16.114,272 16.114,273 16.114,274 16.114,275 16.114,276 15.868,277 15.722,278 8.813,279 16.213,280 13.762,281 13.762,282 13.762,283 13.762,284 13.762,285 13.387,286 24.142,287 4.11,288 13.936,289 4.706,290 3.248,291 1.552,292 0.661,293 0.5,294 0.5,295 3.929,299 1,300 1,301 490,302 3.24,303 29.687,305 33.929,306 113.864,309 55.85,310 126.086,313 1.431,314 13.892,317 0.75,318 1,319 1,320 0.8,321 1,322 1,323 1,324 0.94,325 49.5,326 214,327 4.741,328 3.852,329 7.943,330 4.709,331 3.71,332 3.836,333 0.68,334 14.965,335 3.709,336 4.55,337 3.596,338 7.807,339 4.513,340 3.514,341 3.589,342 0.4,343 14.347,344 3.512,345 3.685,346 2.854,347 6.275,348 3.646,349 2.68,350 2.692,352 8.996,353 2.595,354 3.52,355 2.659,356 5.625,357 3.466,358 2.483,359 2.551,361 7.542,362 2.434,363 3.283,364 2.426,365 5.453,366 3.214,367 2.242,368 2.303,370 6.579,371 2.172,372 3.129,373 2.135,374 5.04,375 2.858,376 1.869,377 2.143,379 5.357,380 1.843,381 2.714,382 1.725,383 4.889,384 2.691,385 1.695,386 1.712,388 5.029,389 1.687,390 2.541,391 1.58,392 4.676,393 2.524,394 1.527,395 1.539,397 4.512,398 1.521,399 2.066,400 1.25,401 3.99,402 2.064,403 1.065,404 1.066,406 2.75,407 1.064,408 1.717,409 0.803,410 3.534,411 1.674,412 0.678,413 0.691,415 1.627,416 0.675,417 1.322,418 0.514,419 3.196,420 1.289,421 0.313,422 0.314,424 0.805,425 0.304,426 1.095,427 0.345,428 3.144,429 1.055,430 0.085,431 0.085,433 0.208,434 0.082,435 0.907,436 -0.142,437 2.97,438 0.806,439 -0.189,440 -0.196,442 -0.535,443 -0.188,444 0.629,445 -0.276,446 2.784,447 0.571,448 -0.408,449 -0.417,451 -1.076,452 -0.398,453 0.315,454 -0.467,455 2.591,456 0.22,457 -0.76,458 -0.79,460 -2.093,461 -0.735,462 11.733,463 0.489,464 0.839,465 0.035,466 15.75,467 0.656,468 1,469 0.042,470 14.75,471 0.615,472 37.906,473 1.579,474 28.467,475 0.482,476 4.339,477 0.181,478 1.176,479 0.049,480 10.329,481 0.43,482 0.114,483 0.085,484 0.298,487 1.019,488 1.23,489 1.115,490 1.176,491 1.061,492 1.154,493 0.815,494 1.113,495 1.083,496 1.133,497 0.717,498 1.124,499 0.894,500 1.138,501 1.138,502 1.173,503 0.901,504 1.173,505 0.59,506 1.196,507 1.128,508 1.225,509 0.579,510 1.214,511 0.535,512 0.986,513 0.893,514 0.981,515 0.476,516 0.962,517 1.103,518 0.874,519 0.957,520 0.884,521 1.068,522 0.906,523 0.876,524 0.916,525 0.909,526 0.916,527 0.897,528 0.915,529 1.087,530 0.923,531 0.928,532 0.91,533 1.117,534 0.909,535 7,536 0.019,537 5.167,538 2.819,539 2.316,540 1,541 0.62,542 0.302,543 0.207,544 0.126,545 6210,546 8851,547 2.187,548 59.3,549 22,550 5,553 2,555 6,558 1.673,559 2.028,560 3.088,561 0.132,563 1,567 69.444,568 1.177,569 2.634,570 4.331,571 5.221,572 5.382,573 5.382,574 2.709,575 4.168,576 4.552,577 3.215,578 887.395,579 7.878,580 9603,582 1,584 1,585 347.076,586 1.692,587 4.499,588 0.25,589 0.003,590 0.123,591 0.059,592 0.055,593 0.029,594 0.025,595 0.016,596 0.015,597 0.011,598 0.585,599 0.67,600 0.75,601 0.566,602 110.361,603 -0.038,604 0.105,605 0.077,606 0.119,607 -0.115,608 0.106,609 -0.037,610 0.09,611 0.015,612 0.057,613 -0.001,614 0.043,615 -0.075,616 -0.031,617 -0.093,618 -0.053,619 -0.032,620 -0.071,621 -0.03,622 -0.166,623 -0.149,624 -0.17,625 -0.022,626 -0.168,627 0.059,628 -0.057,629 0.028,630 -0.03,631 0.056,632 -0.007,633 -0.058,634 0.038,635 -0.013,636 0.021,637 -0.05,638 0.009,639 0.008,640 -0.011,641 0.02,642 0.001,643 -0.019,644 0.01,645 -0.004,646 -0.022,647 0.013,648 -0.009,649 -0.031,650 0.002,651 1.406,652 4.128,653 0.833,654 18.097,655 0.974,656 1.132,657 4.473,658 20.003,659 0.617,660 3.367,661 3.829,662 4.174,663 4.5,664 4.812,665 5.011,666 5.215,667 5.416,668 5.568,669 5.602,670 5.081,671 0.554,672 329.58,673 3.367,674 4.99,675 5.916,676 6.87,677 7.814,678 8.771,679 9.722,680 10.681,681 11.635,682 12.595,683 1.7,685 1,724 59,725 1,726 1,728 28,730 63,731 22,739 5,740 11,745 2,746 2,747 2,748 10,749 4,751 11,753 2,754 20,755 4,756 1,763 1,765 1,769 1,772 35,773 2,774 2,775 2,779 1,784 0.4,785 1,787 1,799 1,801 1,802 3,805 1,806 2,822 1,823 1,826 1,830 1,832 2,836 2,840 24,845 1,846 10,847 1,850 6,852 2,862 1.7,863 1,869 11.833,870 10.533,871 4.889,872 4.185,874 0.412,875 1.052,876 0.916,877 3.528,878 8.363,879 3.401,880 3.892,881 4.277,882 4.635,883 4.977,884 5.22,885 5.476,886 5.727,887 5.927,888 5.991,889 1,890 48,891 9.068,893 4.155,894 7.236,895 19.087,897 18.781,899 1.736,900 41.667,901 0.003,902 1,903 1,904 388.446,905 55.229,906 18.011,908 42.683,911 55.229,912 431.13,913 18.011,914 17.65,915 24.916,916 70.17,918 3.186,920 388.446,922 388.446,923 73.239,924 42.683,927 317.82,928 70.627,929 42.683,931 60.578,932 3.186,933 9.476,935 388.446,936 60.694,937 55.229,940 388.446,941 28.102,942 27.127,943 18.011,944 42.683,945 388.446,946 60.694,947 55.229,949 0.619,950 0.364,951 0.193,952 0.108,953 28,954 11,955 0.032,956 2,957 3,958 1.3,959 3.531,960 226.371,961 0.3,962 20,963 110.039,968 15.881,969 5.331,970 2.392,972 60.694,980 60.694,981 504.369,982 29,989 2.574,991 1.614,994 57.45,995 66.766,996 0.2,997 0.448,998 0.736,999 0.888,1000 0.915,1001 0.915,1002 4.804,1003 1.527,1004 6.004,1005 5.029,1006 4.511,1007 4.575,1008 0.809,1009 7.015,1010 4.491,1011 6.019,1012 1.065,1013 7.706,1014 4.512,1015 4.575,1016 4.635,1018 8.606,1019 4.544,1020 7.389,1021 0.678,1022 9.53,1023 2.75,1024 6.389,1025 6.518,1026 0.391,1027 11.734,1028 6.362,1029 8.788,1030 0.313,1031 11.431,1032 1.627,1033 7.223,1034 7.34,1036 14.099,1037 7.196,1038 10.226,1039 0.085,1040 13.381,1041 0.805,1042 8.646,1043 8.829,1044 0.187,1045 16.899,1046 8.622,1047 11.688,1048 -0.189,1049 15.363,1050 0.208,1051 9.772,1052 9.954,1054 19.492,1055 9.752,1056 13.17,1057 -0.408,1058 17.369,1059 -0.535,1060 11.09,1061 11.326,1062 0.089,1063 22.212,1064 11.073,1065 3.71,1066 -0.76,1067 19.391,1068 -1.076,1069 12.322,1070 12.57,1072 24.872,1073 12.307,1074 3.514,1075 14.965,1076 21.424,1077 -2.093,1078 13.615,1079 13.907,1080 0.042,1081 27.57,1082 13.602,1083 2.68,1084 14.347,1085 23.466,1086 3.836,1087 14.884,1088 15.198,1090 30.251,1091 14.873,1092 2.483,1093 8.996,1094 25.514,1095 3.589,1096 16.173,1097 16.526,1098 0.019,1099 32.943,1100 16.164,1101 2.242,1102 7.542,1103 27.566,1104 2.692,1105 17.457,1106 17.837,1108 35.63,1109 17.449,1110 1.869,1111 6.579,1112 29.621,1113 2.551,1114 18.748,1115 19.164,1116 0.009,1117 38.322,1118 18.741,1119 1.695,1120 5.357,1121 31.679,1122 2.303,1123 20.038,1124 20.484,1126 41.012,1127 20.032,1128 5696,1129 6804,1130 18.781,1131 36.404,1132 43.871,1133 44.306,1134 46.179,1135 43.752,1136 43.723,1137 45.042,1138 2.16,1139 145.433,1140 43.2,1141 5.741,1142 5.852,1143 7.216,1144 5.724,1145 5.71,1146 6.315,1147 1.36,1148 23.656,1149 5.709,1150 10.126,1151 1.567,1152 1.582,1153 1.649,1154 1.563,1155 1.562,1156 1.609,1157 0.077,1158 5.194,1159 1.543,1160 4.122,1161 4.162,1162 4.029,1163 4.053,1164 6.449,1165 4.042,1166 3.917,1167 3.967,1168 3.814,1169 3.822,1170 4.559,1171 3.813,1172 3.777,1173 3.841,1174 3.657,1175 3.616,1176 4.458,1177 3.618,1178 3.509,1179 3.568,1180 3.36,1181 3.366,1182 4.27,1183 3.355,1184 3.399,1185 3.469,1186 3.224,1187 3.276,1188 3.896,1189 3.255,1190 3.261,1191 3.341,1192 3.056,1193 3.101,1194 3.801,1195 3.079,1196 3.128,1197 3.214,1198 2.94,1199 2.975,1200 3.712,1201 2.956,1202 3.039,1203 3.137,1204 2.779,1205 2.854,1206 3.602,1207 2.822,1208 0.169,1209 0.138,1210 0.284,1211 0.168,1212 0.132,1213 4.741,1214 0.137,1215 3.852,1216 0.024,1217 7.943,1218 0.534,1219 4.709,1220 0.132,1221 3.71,1222 3.836,1223 0.68,1224 14.965,1225 3.709,1226 2.055,1227 2.022,1228 2.204,1229 2.147,1230 1.661,1231 2.168,1232 1.813,1233 1.771,1234 2.003,1235 1.936,1236 1.419,1237 1.961,1238 1.675,1239 1.62,1240 1.909,1241 1.824,1242 1.316,1243 1.856,1244 1.424,1245 1.364,1246 1.694,1247 1.607,1248 1.03,1249 1.638,1250 1.391,1251 1.327,1252 1.673,1253 1.567,1254 0.997,1255 1.607,1256 1.275,1257 1.201,1258 1.592,1259 1.474,1260 0.889,1261 1.519,1262 1.155,1263 1.065,1264 1.53,1265 1.39,1266 0.767,1267 1.443,1268 1.063,1269 0.979,1270 1.416,1271 1.292,1272 0.676,1273 1.336,1274 4.043,1275 1.946,1276 5.468,1277 3.932,1278 7.107,1279 5.861,1280 8.848,1281 7.769,1282 10.641,1284 5.199,1289 10.128,1290 13.081,1291 3.544,1294 4.511,1296 1.015,1300 32.692,1301 69.444,1302 155.424,1303 255.508,1304 308.056,1305 317.566,1306 317.566,1307 38.216,1308 7.951,1309 42.17,1310 42.17,1311 26,1312 13.079,1313 1,1314 1,1315 30.244,1316 74,1317 74,1318 0.213,1319 192.698,1320 344.51,1321 461.944,1322 28936,1324 16.527,1325 0.689,1326 0.648,1327 16.527,1328 15.56,1329 11.505,1330 0.411,1331 0.379,1332 10.576,1333 11.366,1334 10.25,1335 8.359,1336 11.505,1337 10.615,1338 11.534,1339 0.256,1340 0.229,1341 11.534,1342 10.316,1343 10.15,1344 0.159,1345 0.143,1346 10.15,1347 9.132,1348 8.607,1349 0.097,1350 0.086,1351 8.607,1352 7.648,1353 7.443,1354 0.061,1355 0.051,1356 7.443,1357 6.267,1358 0.32,1359 70.06,1360 0.231,1361 22.714,1362 0.634,1363 146,1364 204.483,1365 149.824,1366 204.269,1367 293.81,1368 194,1369 185,1370 224.681,1371 188.521,1372 232.124,1373 349.55,1374 221,1375 4.456} {0 CHEMBL341686,1 1.752,2 14.067,3 4.677,4 21.875,5 121.563,6 8.265,7 0.387,8 4.105,9 4.202,10 3.905,11 3.724,12 5.154,13 3.636,14 4.658,15 4.81,16 4.171,17 4.108,18 5.936,19 3.971,20 4.947,21 5.158,22 4.206,23 4.23,24 5.968,25 4.05,26 4.978,27 5.212,28 3.998,29 4.17,30 5.949,31 3.979,32 4.967,33 5.208,34 4.021,35 4.136,36 5.91,37 3.953,38 4.979,39 5.219,40 4.062,41 4.117,42 6.033,43 3.945,44 4.938,45 5.184,46 3.994,47 4.1,48 5.873,49 3.904,50 4.877,51 5.111,52 4.011,53 4.044,54 5.901,55 3.878,56 0.113,57 0.8,58 14.146,59 6.193,60 22.578,61 7.213,62 0.445,63 1.29,64 27.44,65 11.075,66 82.181,67 12.971,68 0.485,69 1.587,70 47.214,71 15.48,72 77.364,73 17.632,74 0.53,75 1.6,76 47.773,77 15.268,78 91.871,79 17.866,80 0.538,81 1.551,82 46.152,83 14.689,84 94.634,85 17.441,86 0.741,87 1.52,88 44.685,89 14.206,90 122.642,91 17.337,92 0.56,93 1.497,94 45.369,95 14.425,96 98.243,97 17.012,98 0.561,99 1.405,100 41.175,101 12.978,102 87.056,103 15.33,104 29,105 40,106 0.289,107 0.601,108 0.774,109 0.875,110 0.886,111 0.886,112 3.439,113 1.234,114 -3.96,115 -3.92,116 -3.71,118 36.8,120 6,124 2,126 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,171 1,172 2,175 3,177 1,180 12,181 1,186 7,191 4,194 11,198 7,203 3,206 7,207 2,210 5,215 2,218 7,219 2,222 6,227 5,229 8,230 2,234 4,239 3,242 8,243 1,247 6,252 2,253 1,255 5,256 1,259 4,260 1,262 1,263 1,264 2,267 6,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 13.744,278 12.194,279 20.328,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 5.97,287 5.838,288 16.3,289 4.081,290 2.186,291 1.136,292 0.526,293 0.456,294 0.456,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 40.755,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 65.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 3.412,334 12.404,335 3.062,336 3.898,337 4.46,338 5.37,339 3.53,340 2.562,341 3.444,342 2.114,343 7.047,344 2.505,345 3.835,346 3.578,347 5.313,348 3.412,349 2.477,350 3.393,352 6.896,353 2.277,354 3.612,355 2.898,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.158,363 3.391,364 2.722,365 4.733,366 3.126,367 2.135,368 2.427,370 5.057,371 2.083,372 3.085,373 2.594,374 4.611,375 2.685,376 1.732,377 2.292,379 4.77,380 1.635,381 2.936,382 1.973,383 3.745,384 2.536,385 1.572,386 2.101,388 3.356,389 1.487,390 2.651,391 1.644,392 3.665,393 2.465,394 1.504,395 1.647,397 3.199,398 1.405,399 2.5,400 1.635,401 3.414,402 2.068,403 1.095,404 1.5,406 2.37,407 1.059,408 2.5,409 1.207,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1.102,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.752,430 0.838,431 0.877,433 1.81,434 0.75,435 1.544,436 1,437 2.861,438 1.307,439 0.42,440 0.448,442 0.924,443 0.361,444 1.12,445 0.619,446 2.693,447 0.946,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.554,455 2.543,456 0.617,457 -0.222,458 -0.273,460 -0.488,461 -0.15,462 15.014,463 0.5,464 0.721,465 0.024,466 34,467 1.133,468 16.5,469 0.55,470 17.5,471 0.583,472 30.612,473 1.02,474 34.186,475 0.6,476 23.577,477 0.786,478 5.781,479 0.193,480 8.584,481 0.286,482 0.136,483 0.056,484 0.167,487 0.589,488 1.258,489 0.752,490 1.101,491 0.669,492 0.985,493 0.5,494 1.191,495 0.966,496 1.133,497 0.438,498 1.118,499 0.862,500 1.13,501 1.143,502 1.205,503 0.814,504 1.074,505 0.933,506 1.055,507 1.118,508 1.124,509 0.903,510 1.066,511 0.918,512 0.995,513 0.84,514 0.962,515 0.982,516 1,517 0.874,518 0.941,519 0.822,520 0.931,521 0.95,522 0.977,523 0.956,524 0.947,525 0.832,526 0.889,527 0.989,528 0.962,529 1.053,530 0.96,531 0.928,532 0.951,533 1.052,534 0.957,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 44422,547 1.951,548 47.4,549 6,550 11,552 2,553 2,555 6,558 1.726,559 1.827,560 3.758,561 0.276,567 99.854,568 1.752,569 3.647,570 4.697,571 5.307,572 5.377,573 5.377,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.75,601 1.085,602 159.717,603 0.037,604 -0.046,605 0.123,606 0.002,607 -0.088,608 0.037,609 0.242,610 -0.056,611 -0.037,612 -0.064,613 0.28,614 -0.115,615 -0.046,616 -0.1,617 -0.058,618 -0.091,619 -0.007,620 -0.048,621 -0.099,622 -0.053,623 -0.123,624 -0.087,625 -0.045,626 -0.064,627 -0.071,628 -0.025,629 0.014,630 -0.002,631 -0.084,632 -0.016,633 0.057,634 -0.011,635 0.054,636 -0.005,638 0.002,639 -0.08,640 -0.004,641 0.048,642 0.064,643 -0.107,644 0.025,645 -0.089,646 0.011,647 0.011,648 0.015,649 -0.106,650 0.019,651 4.458,652 5.265,653 0.4,654 34.133,655 1.008,656 1.123,657 2.733,658 7.471,659 0.682,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.631,672 471.09,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 57,726 15,727 1,728 31,730 58,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 9,756 3,760 1,761 3,765 1,769 1,772 27,773 6,774 2,775 9,776 3,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,833 1,834 2,837 1,840 30,844 1,845 1,846 8,847 1,849 1,850 1,861 1,862 7,864 1,865 3,869 16.417,870 9.626,871 6.792,872 3.441,874 1.666,875 1.25,876 0.921,877 10.833,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.341,893 4.886,894 8.012,895 21.181,897 17.124,899 2.512,900 75.361,904 294.278,905 140.339,906 33.191,907 39.149,908 112.141,910 38.027,911 102.312,912 445.567,913 33.191,915 18.213,916 79.07,917 153.379,918 26.332,920 302.955,921 39.149,922 294.278,923 135.502,924 112.141,925 77.176,927 223.651,928 182.768,931 52.712,932 66.004,933 61.742,934 32.22,935 294.278,936 145.332,937 179.487,939 5.807,940 294.278,941 59.579,942 74.952,943 16.405,944 168.075,945 294.278,946 145.332,947 179.487,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.241,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,964 1,967 1,968 24.837,969 13.085,970 9.962,972 145.332,973 13.605,974 4.112,978 1.857,980 59.088,981 619.097,982 40,986 -3.542,987 35.458,991 -0.812,994 57.476,995 64.016,996 0.3,997 0.625,998 0.805,999 0.91,1000 0.922,1001 0.922,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 3.433,1009 6.447,1010 4.27,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.741,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 5.652,1027 10.542,1028 5.693,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.491,1036 12.635,1037 5.989,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 8.019,1045 15.247,1046 7.438,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 6.946,1054 17.644,1055 8.138,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 10.428,1063 20.185,1064 9.379,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 9.511,1072 22.668,1073 10.287,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 12.853,1081 25.192,1082 11.443,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 12.101,1090 27.7,1091 12.456,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 15.283,1099 30.22,1100 13.579,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 14.686,1108 32.735,1109 14.645,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 17.715,1117 35.253,1118 15.758,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 17.255,1126 37.77,1127 16.849,1128 12899,1129 24138,1130 20.049,1131 38.881,1132 44.316,1133 48.406,1134 45.114,1135 44.398,1136 44.219,1137 56.516,1138 11.052,1139 117.127,1140 41.47,1141 5.81,1142 6.683,1143 7.095,1144 5.378,1145 5.374,1146 7.697,1147 6.739,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.561,1153 1.455,1154 1.432,1155 1.426,1156 1.823,1157 0.357,1158 3.778,1159 1.338,1160 4.074,1161 4.054,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.909,1167 3.95,1168 3.957,1169 3.823,1170 7.474,1171 3.812,1172 3.765,1173 3.814,1174 3.923,1175 3.691,1176 6.999,1177 3.651,1178 3.659,1179 3.679,1180 3.808,1181 3.584,1182 6.351,1183 3.519,1184 3.509,1185 3.519,1186 3.473,1187 3.385,1188 4.93,1189 3.34,1190 3.47,1191 3.504,1192 3.337,1193 3.303,1194 4.893,1195 3.291,1196 3.201,1197 3.256,1198 3.166,1199 3.036,1200 4.276,1201 3.022,1202 2.923,1203 3.005,1204 3.129,1205 2.76,1206 4.209,1207 2.737,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.11,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 3.412,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.046,1229 2.024,1230 1.422,1231 2.067,1232 1.886,1233 1.846,1234 1.972,1235 2.003,1236 1.256,1237 2.02,1238 1.766,1239 1.72,1240 1.945,1241 1.9,1242 1.152,1243 1.93,1244 1.591,1245 1.557,1246 1.798,1247 1.757,1248 1.028,1249 1.788,1250 1.418,1251 1.408,1252 1.584,1253 1.638,1254 0.824,1255 1.634,1256 1.388,1257 1.371,1258 1.517,1259 1.583,1260 0.757,1261 1.611,1262 1.175,1263 1.126,1264 1.316,1265 1.366,1266 0.576,1267 1.411,1268 0.938,1269 0.861,1270 1.181,1271 1.157,1272 0.456,1273 1.206,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.796,1289 8.976,1290 5.604,1291 2.605,1293 1.46,1294 0.241,1300 35.952,1301 99.854,1302 207.868,1303 267.746,1304 302.475,1305 306.475,1306 306.475,1307 102.026,1308 6.671,1309 96.36,1310 130.04,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 237.099,1320 416.25,1321 570.282,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.635,1327 22.925,1328 19.056,1329 14.365,1330 0.463,1331 0.411,1332 10.001,1333 12.397,1334 9.539,1335 7.907,1336 15.929,1337 12.751,1338 12.817,1339 0.32,1340 0.26,1341 15.126,1342 10.42,1343 9.156,1344 0.208,1345 0.173,1346 11.333,1347 7.611,1348 6.609,1349 0.138,1350 0.109,1351 8.215,1352 5.226,1353 5.081,1354 0.092,1355 0.07,1356 6.555,1357 3.829,1358 0.35,1359 105.199,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 465.258,1365 228.193,1366 516.041,1367 658.27,1368 472,1369 155,1370 385.896,1371 237.457,1372 446.091,1373 635.64,1374 416,1375 8.699} {0 CHEMBL343535,1 1.724,2 14.067,3 3.932,4 15.464,5 115.388,6 7.983,7 0.387,8 4.113,9 4.211,10 3.85,11 3.664,12 5.181,13 3.61,14 4.671,15 4.826,16 4.102,17 4.023,18 5.97,19 3.936,20 4.962,21 5.173,22 4.101,23 4.15,24 6.05,25 4.012,26 4.989,27 5.225,28 3.937,29 4.095,30 5.983,31 3.95,32 4.977,33 5.219,34 3.963,35 4.067,36 5.942,37 3.924,38 4.988,39 5.228,40 3.983,41 4.049,42 6.067,43 3.915,44 4.949,45 5.195,46 3.86,47 4.009,48 5.914,49 3.868,50 4.888,51 5.121,52 3.889,53 3.973,54 5.982,55 3.841,56 0.134,57 0.787,58 14.206,59 5.915,60 25.092,61 7.043,62 0.533,63 1.217,64 24.746,65 9.822,66 88.669,67 12.099,68 0.779,69 1.47,70 41.59,71 13.473,72 102.243,73 16.55,74 0.694,75 1.481,76 42.745,77 13.211,78 103.77,79 16.646,80 0.683,81 1.441,82 42.012,83 12.871,84 106.243,85 16.384,86 0.88,87 1.41,88 41.534,89 12.733,90 131.88,91 16.544,92 0.737,93 1.367,94 39.043,95 12.264,96 111.156,97 15.953,98 0.804,99 1.308,100 37.726,101 11.52,102 110.282,103 14.717,104 29,105 40,106 0.284,107 0.601,108 0.774,109 0.875,110 0.886,111 0.886,112 3.439,113 1.133,114 -3.2,115 -3.2,116 -3.07,118 36.8,120 6,124 2,126 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,171 1,172 4,173 1,175 3,177 1,180 10,185 1,186 8,189 1,191 3,194 9,198 9,203 3,206 5,207 2,210 6,215 2,218 6,219 2,222 7,225 1,227 4,229 7,230 2,233 1,234 4,239 3,242 7,243 1,246 2,247 4,252 2,253 1,255 5,256 1,259 6,260 1,262 1,263 1,264 2,267 4,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 15.605,278 12.194,279 20.263,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 9.317,287 5.838,288 16.186,289 4.109,290 2.186,291 1.136,292 0.526,293 0.456,294 0.456,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 44.054,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 66.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.423,334 12.404,335 3.062,336 3.898,337 3.627,338 5.37,339 3.536,340 2.562,341 3.444,342 0.922,343 7.047,344 2.509,345 3.835,346 2.898,347 5.313,348 3.433,349 2.477,350 3.393,352 6.896,353 2.346,354 3.612,355 2.826,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.701,365 4.733,366 3.13,367 2.135,368 2.427,370 5.057,371 2.096,372 3.085,373 1.973,374 4.611,375 2.686,376 1.732,377 2.292,379 4.77,380 1.638,381 2.936,382 1.669,383 3.745,384 2.536,385 1.572,386 2.101,388 3.356,389 1.491,390 2.651,391 1.644,392 3.665,393 2.468,394 1.504,395 1.647,397 3.199,398 1.408,399 2.5,400 1.456,401 3.414,402 2.073,403 1.095,404 1.5,406 2.37,407 1.067,408 2.5,409 1.126,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.771,430 0.838,431 0.877,433 1.81,434 0.773,435 1.544,436 0.886,437 2.861,438 1.345,439 0.42,440 0.448,442 0.924,443 0.382,444 1.12,445 0.58,446 2.693,447 0.946,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.458,455 2.543,456 0.622,457 -0.222,458 -0.273,460 -0.488,461 -0.15,462 14.514,463 0.484,464 0.721,465 0.024,466 34.5,467 1.15,468 16.5,469 0.55,470 18,471 0.6,472 28.166,473 0.939,474 34.686,475 0.609,476 26.024,477 0.867,478 6.492,479 0.216,480 7.873,481 0.262,482 0.141,483 0.057,484 0.172,487 0.645,488 1.383,489 0.755,490 1.246,491 0.685,492 1.034,493 0.691,494 1.199,495 0.838,496 1.069,497 0.488,498 1.097,499 0.912,500 1.06,501 1.062,502 1.069,503 0.803,504 1.037,505 1.036,506 1.011,507 1.03,508 1.027,509 0.937,510 1.025,511 0.99,512 0.971,513 0.751,514 0.891,515 1.005,516 0.974,517 0.888,518 0.926,519 0.798,520 0.927,521 0.953,522 0.981,523 0.989,524 0.919,525 0.799,526 0.872,527 1.004,528 0.951,529 0.978,530 0.954,531 0.938,532 0.925,533 0.998,534 0.968,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 44422,547 1.951,548 47.4,549 6,550 11,552 2,553 2,555 6,558 1.726,559 1.827,560 3.758,561 0.276,563 1,567 98.244,568 1.724,569 3.647,570 4.697,571 5.307,572 5.377,573 5.377,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.022,604 -0.108,605 0.131,606 -0.058,607 -0.095,608 0.014,609 0.163,610 -0.067,611 -0.004,612 -0.051,613 0.252,614 -0.108,615 0.009,616 -0.055,617 -0.055,618 -0.022,619 0.025,620 -0.034,621 -0.13,622 -0.031,623 -0.093,624 -0.043,625 -0.065,626 -0.042,627 -0.095,628 -0.017,629 0.047,630 0.027,631 -0.098,632 -0.002,633 0.054,634 -0.004,635 0.055,636 -0.021,638 -0.007,639 -0.064,640 0.003,641 0.021,642 0.029,643 -0.112,644 0.021,645 0.005,646 0.004,647 -0.026,648 0.013,649 -0.048,650 -0.001,651 4.484,652 5.245,653 0.4,654 34.133,655 1.013,656 1.128,657 1.974,658 3.897,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.622,672 455.02,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 57,726 15,727 1,728 31,730 58,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 9,756 3,760 1,761 3,765 1,769 1,772 27,773 7,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 2,818 1,830 1,831 1,832 2,834 1,837 1,840 30,844 1,845 1,846 8,847 1,848 1,850 1,861 1,862 8.8,864 1,865 3,866 1,869 16.417,870 9.626,871 6.792,872 3.441,874 1.666,875 1.25,876 0.919,877 10.417,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.345,893 4.894,894 8.068,895 20.977,897 16.781,899 2.568,900 77.028,903 1,904 294.278,905 111.812,906 33.191,907 39.149,908 123.141,910 5.807,911 106.004,912 456.567,913 33.191,915 21.905,916 79.07,917 164.379,918 26.332,920 270.735,921 39.149,922 294.278,923 139.195,924 123.141,925 44.956,927 223.651,928 182.768,929 11,931 56.405,932 66.004,933 61.742,935 294.278,936 156.332,937 150.96,939 5.807,940 294.278,941 31.052,942 74.952,943 16.405,944 179.075,945 294.278,946 156.332,947 150.96,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.241,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.451,969 12.781,970 9.701,972 156.332,973 13.429,974 4.086,978 1.779,980 59.088,981 601.57,982 40,986 -3.568,987 35.313,991 -0.997,994 57.727,995 64.305,996 0.295,997 0.625,998 0.805,999 0.91,1000 0.922,1001 0.922,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.502,1009 6.447,1010 4.282,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.756,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.836,1027 10.542,1028 5.714,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.238,1036 12.635,1037 6.011,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.437,1045 15.247,1046 7.461,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 6.111,1054 17.644,1055 8.161,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 7.138,1063 20.185,1064 9.401,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.928,1072 22.668,1073 10.307,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.878,1081 25.192,1082 11.46,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.719,1090 27.7,1091 12.471,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.635,1099 30.22,1100 13.593,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.499,1108 32.735,1109 14.656,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 12.399,1117 35.253,1118 15.768,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 13.274,1126 37.77,1127 16.857,1128 12899,1129 24138,1130 20.049,1131 37.688,1132 44.316,1133 46.169,1134 45.114,1135 44.419,1136 44.219,1137 56.516,1138 6.69,1139 117.127,1140 41.766,1141 5.81,1142 6.683,1143 7.095,1144 5.343,1145 5.374,1146 7.697,1147 4.104,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.489,1153 1.455,1154 1.433,1155 1.426,1156 1.823,1157 0.216,1158 3.778,1159 1.347,1160 4.074,1161 4.054,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.911,1167 3.951,1168 3.925,1169 3.812,1170 7.474,1171 3.81,1172 3.775,1173 3.821,1174 3.833,1175 3.643,1176 6.999,1177 3.633,1178 3.664,1179 3.685,1180 3.654,1181 3.567,1182 6.351,1183 3.511,1184 3.516,1185 3.522,1186 3.435,1187 3.362,1188 4.93,1189 3.332,1190 3.471,1191 3.512,1192 3.336,1193 3.243,1194 4.893,1195 3.276,1196 3.205,1197 3.259,1198 3.162,1199 3.031,1200 4.545,1201 3.017,1202 2.925,1203 3.006,1204 3.045,1205 2.759,1206 4.27,1207 2.737,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.078,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.423,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.053,1229 2.028,1230 1.403,1231 2.067,1232 1.884,1233 1.845,1234 1.974,1235 2.007,1236 1.255,1237 2.024,1238 1.761,1239 1.711,1240 1.946,1241 1.922,1242 1.151,1243 1.936,1244 1.586,1245 1.551,1246 1.807,1247 1.783,1248 1.004,1249 1.796,1250 1.417,1251 1.407,1252 1.615,1253 1.664,1254 0.812,1255 1.645,1256 1.377,1257 1.359,1258 1.53,1259 1.583,1260 0.701,1261 1.619,1262 1.174,1263 1.124,1264 1.317,1265 1.378,1266 0.576,1267 1.413,1268 0.938,1269 0.861,1270 1.181,1271 1.163,1272 0.456,1273 1.207,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.786,1289 8.872,1290 4.429,1291 2.571,1292 5.503,1294 -0.175,1300 35.48,1301 98.244,1302 207.868,1303 267.746,1304 302.475,1305 306.475,1306 306.475,1307 100.973,1308 6.671,1309 105.59,1310 113.97,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 229.965,1320 406.53,1321 552.874,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.608,1327 22.572,1328 18.239,1329 14.365,1330 0.463,1331 0.378,1332 9.873,1333 12.741,1334 9.539,1335 7.907,1336 15.475,1337 11.703,1338 12.817,1339 0.32,1340 0.228,1341 14.549,1342 9.131,1343 9.156,1344 0.208,1345 0.142,1346 10.552,1347 6.255,1348 6.609,1349 0.138,1350 0.087,1351 7.642,1352 4.181,1353 5.081,1354 0.092,1355 0.055,1356 6.042,1357 3.024,1358 0.35,1359 101.566,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 494.134,1365 209.454,1366 516.041,1367 658.27,1368 472,1369 155,1370 398.728,1371 221.849,1372 446.091,1373 635.64,1374 416,1375 7.745} {0 CHEMBL344457,1 1.57,2 14.774,3 4.272,4 18.246,5 119.808,6 7.121,7 0.375,8 4.198,9 4.308,10 3.839,11 3.731,12 5.232,13 3.669,14 4.763,15 4.938,16 4.057,17 4.097,18 5.984,19 3.997,20 5.05,21 5.28,22 4.061,23 4.248,24 6.013,25 4.101,26 5.137,27 5.386,28 3.953,29 4.237,30 6.092,31 4.073,32 5.134,33 5.403,34 3.905,35 4.203,36 6.009,37 4.031,38 5.108,39 5.372,40 3.906,41 4.164,42 6.067,43 3.994,44 5.047,45 5.298,46 3.894,47 4.133,48 6,49 3.976,50 5.044,51 5.291,52 3.877,53 4.095,54 6.062,55 3.952,56 0.099,57 0.875,58 17.374,59 6.605,60 21.14,61 8.36,62 0.476,63 1.363,64 28.632,65 10.869,66 86.612,67 14.184,68 0.38,69 1.682,70 41.425,71 14.527,72 75.129,73 18.996,74 0.543,75 1.742,76 45.196,77 14.845,78 101.971,79 19.925,80 0.505,81 1.701,82 44.237,83 14.645,84 91.718,85 20.3,86 0.751,87 1.624,88 43.138,89 14.247,90 112.175,91 19.504,92 0.502,93 1.581,94 41.901,95 13.472,96 94.425,97 18.014,98 0.642,99 1.55,100 42.4,101 12.622,102 108.297,103 16.805,104 32,105 41,106 0.254,107 0.558,108 0.752,109 0.871,110 0.882,111 0.882,112 3.47,113 1.137,114 -3.42,115 -3.4,116 -3.25,118 36.5,120 8,121 1,123 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 5,175 3,177 2,180 13,181 1,186 9,191 4,194 13,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,221 2,222 5,225 1,227 4,229 10,230 2,234 6,239 4,242 9,243 1,247 8,252 2,253 1,255 7,256 1,259 7,260 1,262 1,263 1,264 2,267 7,268 1,270 1921,271 20.637,272 20.637,273 20.637,274 20.637,275 20.637,276 18.692,277 15.55,278 12.693,279 21.056,280 15.739,281 15.739,282 15.739,283 15.739,284 15.739,285 12.763,286 9.329,287 5.977,288 16.325,289 4.407,290 2.526,291 1.322,292 0.583,293 0.52,294 0.52,295 4.139,299 1,300 1,301 937,302 4.95,306 267.958,313 2.054,314 41.11,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68,326 458,327 4.844,328 4.683,329 7.293,330 4.292,331 3.374,332 4.697,333 2.341,334 12.404,335 3.064,336 3.898,337 3.597,338 5.371,339 3.558,340 2.562,341 3.444,342 0.86,343 7.047,344 2.552,345 3.883,346 2.812,347 5.346,348 3.471,349 2.485,350 3.431,352 6.908,353 2.46,354 3.612,355 2.725,356 5.313,357 3.434,358 2.476,359 2.74,361 6.896,362 2.357,363 3.391,364 2.465,365 4.823,366 3.141,367 2.135,368 2.428,370 5.057,371 2.121,372 3.129,373 1.972,374 4.611,375 2.728,376 1.763,377 2.344,379 4.966,380 1.694,381 2.936,382 1.652,383 3.748,384 2.567,385 1.588,386 2.101,388 3.36,389 1.551,390 2.652,391 1.605,392 3.666,393 2.492,394 1.517,395 1.648,397 3.2,398 1.476,399 2.5,400 1.193,401 3.414,402 2.086,403 1.096,404 1.5,406 2.371,407 1.083,408 2.5,409 1.181,410 3.364,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1.011,419 3.251,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.923,427 1,428 3.247,429 1.819,430 0.843,431 0.88,433 1.815,434 0.818,435 1.653,436 1,437 2.915,438 1.421,439 0.498,440 0.553,442 0.935,443 0.438,444 1.543,445 0.771,446 2.759,447 1.346,448 0.412,449 0.443,451 0.734,452 0.395,453 1.083,454 0.375,455 2.598,456 0.943,457 -0.039,458 -0.042,460 -0.091,461 -0.039,462 14.8,463 0.477,464 0.683,465 0.022,466 35.25,467 1.137,468 17,469 0.548,470 18.25,471 0.589,472 30.188,473 0.974,474 36.2,475 0.575,476 26.376,477 0.851,478 6.457,479 0.208,480 8.446,481 0.272,482 0.124,483 0.056,484 0.169,487 0.651,488 1.394,489 0.906,490 1.341,491 0.679,492 1.116,493 0.641,494 1.162,495 0.957,496 1.112,497 0.461,498 1.122,499 0.847,500 1.119,501 1.08,502 1.136,503 0.794,504 1.073,505 0.987,506 1.032,507 1.102,508 1.059,509 1.016,510 1.065,511 0.782,512 0.975,513 0.897,514 0.98,515 0.906,516 1.002,517 0.782,518 0.906,519 0.894,520 0.907,521 0.924,522 0.957,523 1.01,524 1.031,525 1.085,526 1.04,527 1.061,528 1.012,529 1.313,530 0.927,531 1.181,532 0.957,533 1.359,534 0.968,535 6.5,536 0.169,537 3.111,538 1.313,539 0.933,540 0.868,541 0.447,542 0.266,543 0.32,544 0.237,545 14180,546 41871,547 1.952,548 50.8,549 13,550 11,552 2,553 2,554 2,555 2,558 1.735,559 1.833,560 3.821,561 0.225,563 1,567 98.917,568 1.57,569 3.451,570 4.655,571 5.394,572 5.457,573 5.457,574 3.229,575 4.503,576 4.926,577 4.011,578 1865,579 8.593,580 29696.7,582 1,585 376.569,586 1.417,587 4.879,588 0.203,589 0.006,590 0.076,591 0.033,592 0.027,593 0.026,594 0.014,595 0.008,596 0.01,597 0.007,598 0.409,599 0.33,600 0.88,601 1.159,602 167.019,603 0.042,604 -0.101,605 0.179,606 -0.054,607 -0.083,608 0.013,609 0.202,610 -0.023,611 -0.001,612 -0.035,613 0.274,614 -0.081,615 -0.053,616 -0.088,617 -0.042,618 -0.058,619 -0.004,620 -0.043,621 -0.106,622 -0.048,623 -0.105,624 -0.059,625 -0.072,626 -0.073,627 -0.021,628 -0.031,629 0.015,630 -0.034,631 -0.057,632 -0.01,633 0.101,634 0.021,635 0.039,636 0.036,637 -0.001,638 0.025,639 -0.095,640 -0.054,641 -0.059,642 -0.034,643 -0.092,644 -0.024,645 -0.199,646 0.058,647 -0.124,648 0.021,649 -0.183,650 -0.014,651 4.458,652 5.36,653 0.387,654 36.868,655 1.003,656 1.13,657 2.189,658 4.792,659 0.641,660 3.497,661 3.738,662 3.85,663 3.932,664 4.06,665 4.025,666 3.989,667 3.829,668 3.871,669 3.871,670 8.633,671 0.599,672 448.64,673 3.497,674 4.99,675 5.771,676 6.594,677 7.394,678 8.223,679 9.032,680 9.864,681 10.678,682 11.514,683 3.2,685 1,693 1,699 8,700 1,704 3,706 12,722 1,724 63,726 15,727 1,728 32,730 64,731 23,733 11,734 2,735 4,739 2,740 2,751 8,753 12,754 11,755 1,756 3,760 1,761 3,765 1,769 1,772 32,773 7,774 2,775 8,776 1,779 2,784 1,785 5,795 1,802 2,818 1,830 1,832 2,834 1,836 1,840 31,844 1,845 1,846 9,847 1,848 1,850 1,862 7.9,864 1,865 3,867 1,869 16.917,870 10.983,871 7.125,872 3.892,874 1.684,875 1.249,876 0.913,877 10.825,878 8.439,879 3.738,880 4.234,881 4.575,882 4.945,883 5.368,884 5.349,885 5.407,886 4.859,887 4.963,888 5.079,889 0.9,890 40,891 11.725,893 5.002,894 7.965,895 22.008,897 17.666,899 2.465,900 76.417,903 1,904 353.133,905 124.914,906 33.191,908 123.141,910 5.807,911 119.107,912 476.274,913 33.191,914 10.883,915 22.382,916 79.07,917 153.379,918 39.074,920 329.591,922 353.133,923 152.297,924 123.141,925 5.807,927 329.591,928 146.683,931 56.882,932 78.63,933 22.593,935 353.133,936 156.332,937 124.914,939 5.807,940 353.133,941 33.272,942 85.835,943 16.405,944 139.927,945 353.133,946 156.332,947 124.914,949 0.561,950 0.302,951 0.143,952 0.077,953 14,954 7,955 0.234,956 15,958 1,959 4.379,960 237.141,962 12,963 147.58,967 1,968 25.159,969 13.339,970 9.709,972 156.332,973 13.86,974 4.122,978 2.005,980 59.088,981 634.379,982 41,986 -3.541,987 35.688,991 -0.774,994 63.171,995 71.192,996 0.263,997 0.577,998 0.779,999 0.902,1000 0.913,1001 0.913,1002 4.934,1003 1.517,1004 5.74,1005 3.36,1006 4.419,1007 4.92,1008 2.402,1009 6.475,1010 4.347,1011 6.113,1012 1.096,1013 7.263,1014 3.2,1015 4.007,1016 4.879,1017 2.243,1018 7.618,1019 3.836,1020 7.419,1021 1,1022 8.912,1023 2.371,1024 5.989,1025 7.111,1026 3.657,1027 10.567,1028 5.81,1029 8.774,1030 1,1031 10.649,1032 2.275,1033 6.447,1034 7.964,1035 4.112,1036 12.652,1037 6.119,1038 10.174,1039 0.843,1040 12.449,1041 2.136,1042 7.914,1043 9.738,1044 5.206,1045 15.259,1046 7.572,1047 11.61,1048 0.498,1049 14.296,1050 1.815,1051 8.779,1052 10.979,1053 5.889,1054 17.651,1055 8.27,1056 13.073,1057 0.412,1058 16.18,1059 0.935,1060 10.06,1061 12.602,1062 6.849,1063 20.19,1064 9.508,1065 3.374,1066 -0.039,1067 18.09,1068 0.734,1069 11.117,1070 14.012,1071 7.625,1072 22.671,1073 10.405,1074 2.562,1075 12.404,1076 20.021,1077 -0.091,1078 12.339,1079 15.582,1080 8.526,1081 25.194,1082 11.554,1083 2.485,1084 7.047,1085 21.966,1086 4.697,1087 13.482,1088 17.068,1089 9.342,1090 27.701,1091 12.554,1092 2.476,1093 6.908,1094 23.923,1095 3.444,1096 14.689,1097 18.62,1098 10.216,1099 30.221,1100 13.669,1101 2.135,1102 6.896,1103 25.888,1104 3.431,1105 15.871,1106 20.139,1107 11.051,1108 32.735,1109 14.723,1110 1.763,1111 5.057,1112 27.859,1113 2.74,1114 17.078,1115 21.686,1116 11.912,1117 35.254,1118 15.829,1119 1.588,1120 4.966,1121 29.834,1122 2.428,1123 18.278,1124 23.22,1125 12.755,1126 37.771,1127 16.911,1128 14170,1129 24547,1130 20.742,1131 40.353,1132 45.484,1133 46.999,1134 46.562,1135 45.496,1136 45.496,1137 57.802,1138 6.402,1139 120.206,1140 43.926,1141 5.81,1142 6.683,1143 7.095,1144 5.34,1145 5.374,1146 7.697,1147 3.925,1148 19.556,1149 5.064,1150 17.076,1151 1.421,1152 1.469,1153 1.455,1154 1.422,1155 1.422,1156 1.806,1157 0.2,1158 3.756,1159 1.373,1160 4.077,1161 4.06,1162 4.735,1163 4.06,1164 7.717,1165 3.972,1166 3.92,1167 3.961,1168 3.838,1169 3.825,1170 7.474,1171 3.819,1172 3.807,1173 3.857,1174 3.722,1175 3.697,1176 6.999,1177 3.688,1178 3.69,1179 3.716,1180 3.688,1181 3.571,1182 6.351,1183 3.528,1184 3.542,1185 3.559,1186 3.444,1187 3.39,1188 4.898,1189 3.362,1190 3.476,1191 3.526,1192 3.334,1193 3.311,1194 4.847,1195 3.306,1196 3.24,1197 3.305,1198 3.076,1199 3.039,1200 4.333,1201 3.036,1202 3.175,1203 3.233,1204 2.997,1205 2.908,1206 4.24,1207 2.903,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.073,1217 7.293,1218 0.388,1219 4.292,1220 0.096,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.064,1226 1.954,1227 1.964,1228 2.09,1229 2.041,1230 1.479,1231 2.075,1232 1.899,1233 1.856,1234 1.986,1235 2.018,1236 1.257,1237 2.041,1238 1.808,1239 1.761,1240 1.969,1241 1.946,1242 1.169,1243 1.961,1244 1.625,1245 1.583,1246 1.855,1247 1.816,1248 1.113,1249 1.835,1250 1.464,1251 1.434,1252 1.716,1253 1.683,1254 0.897,1255 1.689,1256 1.424,1257 1.402,1258 1.572,1259 1.619,1260 0.798,1261 1.653,1262 1.204,1263 1.144,1264 1.537,1265 1.481,1266 0.609,1267 1.505,1268 1.125,1269 1.058,1270 1.323,1271 1.375,1272 0.549,1273 1.403,1274 4.174,1276 5.434,1278 6.872,1280 8.39,1282 9.953,1284 1.532,1289 9.013,1290 6.505,1291 2.632,1292 5.05,1294 0.325,1300 37.706,1301 98.917,1302 217.442,1303 293.284,1304 339.814,1305 343.814,1306 343.814,1307 106.382,1308 6.755,1309 105.59,1310 113.97,1311 12,1312 12.088,1313 4,1314 3.322,1315 73.234,1316 161,1317 159,1318 0.211,1319 240.816,1320 425.92,1321 579.352,1322 7902,1324 22.529,1325 0.727,1326 0.607,1327 22.779,1328 18.812,1329 14.903,1330 0.466,1331 0.379,1332 10.644,1333 13.558,1334 10.276,1335 8.59,1336 15.724,1337 12.132,1338 12.986,1339 0.317,1340 0.229,1341 14.309,1342 9.388,1343 9.565,1344 0.208,1345 0.147,1346 10.672,1347 6.745,1348 6.92,1349 0.138,1350 0.092,1351 7.786,1352 4.578,1353 5.199,1354 0.091,1355 0.056,1356 5.892,1357 3.169,1358 0.346,1359 101.826,1360 0.22,1361 30.207,1362 0.538,1363 146,1364 471.93,1365 197.27,1366 466.982,1367 605.99,1368 428,1369 160,1370 387.865,1371 215.873,1372 427.984,1373 605.76,1374 398,1375 8.523} {0 CHEMBL345105,1 1.689,2 14,3 4.496,4 20.215,5 113.549,6 7.84,7 0.4,8 4.085,9 4.189,10 3.814,11 3.667,12 5.136,13 3.599,14 4.644,15 4.806,16 4.067,17 4.045,18 5.923,19 3.938,20 4.961,21 5.186,22 4.059,23 4.188,24 5.955,25 4.029,26 5.025,27 5.273,28 3.938,29 4.126,30 6.03,31 3.967,32 4.989,33 5.236,34 3.917,35 4.066,36 5.985,37 3.91,38 4.955,39 5.208,40 3.917,41 4.027,42 6.009,43 3.876,44 4.882,45 5.133,46 3.776,47 3.986,48 5.848,49 3.828,50 4.834,51 5.079,52 3.848,53 3.955,54 5.899,55 3.805,56 0.109,57 0.778,58 14.311,59 5.854,60 22.659,61 7.151,62 0.424,63 1.228,64 24.208,65 9.921,66 83.107,67 12.619,68 0.421,69 1.529,70 41.157,71 14.046,72 83.437,73 17.618,74 0.562,75 1.553,76 44.235,77 13.981,78 104.765,79 17.853,80 0.631,81 1.462,82 42.794,83 13.106,84 117.507,85 16.64,86 0.717,87 1.394,88 40.663,89 12.62,90 123.775,91 16.549,92 0.516,93 1.339,94 35.683,95 11.721,96 95.417,97 15.317,98 0.529,99 1.293,100 37.697,101 11.645,102 83.338,103 14.757,104 28,105 39,106 0.279,107 0.587,108 0.758,109 0.872,110 0.884,111 0.884,112 3.407,113 1.159,114 -3.96,115 -3.92,116 -3.71,118 37.5,120 7,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 3,175 3,177 2,180 14,181 1,186 7,191 4,194 13,195 2,198 9,203 5,206 8,207 2,210 5,215 3,218 8,219 2,222 7,227 5,229 9,230 1,234 5,239 2,240 1,242 8,243 1,247 6,248 1,250 1,251 1,252 2,255 7,256 1,258 1,259 4,260 2,262 1,264 2,267 8,270 1556,271 19.059,272 19.059,273 19.059,274 19.059,275 19.059,276 17.062,277 12.838,278 11.736,279 19.436,280 14.828,281 14.828,282 14.828,283 14.828,284 14.828,285 11.867,286 5.318,287 5.612,288 15.5,289 4.118,290 2.261,291 1.227,292 0.536,293 0.464,294 0.464,295 4.073,297 1,299 1,300 1,301 834,302 4.743,306 247.93,313 1.931,314 41.179,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63.333,326 406,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.609,338 5.435,339 3.594,340 2.595,341 3.444,343 7.246,344 2.589,345 3.835,346 2.898,347 5.332,348 3.49,349 2.498,350 3.393,352 6.948,353 2.476,354 3.694,355 2.723,356 5.149,357 3.313,358 2.401,359 2.817,361 6.32,362 2.159,363 3.22,364 2.405,365 4.733,366 2.968,367 1.964,368 2.294,370 4.772,371 1.948,372 3.084,373 1.964,374 4.432,375 2.679,376 1.723,377 2.256,379 4.612,380 1.632,381 2.933,382 1.644,383 3.742,384 2.535,385 1.571,386 2.092,388 3.35,389 1.486,390 2.639,391 1.584,392 3.653,393 2.455,394 1.484,395 1.634,397 3.168,398 1.404,399 2.5,400 1.133,401 3.414,402 2.057,403 1.07,404 1.5,406 2.318,407 1.054,408 2.5,409 1,410 3.353,411 2,412 1,413 1.5,415 2.275,416 1,417 2.184,418 1,419 3.247,420 1.956,421 1,422 1.159,424 2.136,425 0.953,426 1.81,427 0.983,428 3.154,429 1.695,430 0.723,431 0.762,433 1.575,434 0.699,435 1.12,436 0.67,437 2.744,438 0.957,439 -0.026,440 -0.029,442 -0.062,443 -0.026,444 1.115,445 0.539,446 2.547,447 0.859,448 -0.122,449 -0.131,451 -0.288,452 -0.109,453 1,454 0.126,455 2.478,456 0.587,457 -0.24,458 -0.299,460 -0.533,461 -0.175,462 14.181,463 0.489,464 0.721,465 0.025,466 33.5,467 1.155,468 16.5,469 0.569,470 17,471 0.586,472 27.629,473 0.953,474 33.219,475 0.593,476 24.273,477 0.837,478 6.045,479 0.208,480 7.82,481 0.27,482 0.144,483 0.059,484 0.176,487 0.585,488 1.33,489 0.765,490 1.207,491 0.667,492 1.023,493 0.473,494 1.2,495 0.818,496 1.078,497 0.43,498 1.119,499 0.842,500 1.108,501 1.031,502 1.109,503 0.796,504 1.065,505 1,506 1.006,507 0.973,508 1.015,509 0.999,510 1.002,511 1.134,512 0.938,513 0.772,514 0.863,515 1.224,516 0.966,517 0.872,518 0.909,519 0.773,520 0.896,521 0.952,522 0.941,523 1.022,524 0.944,525 0.828,526 0.864,527 1.033,528 0.966,529 0.919,530 0.972,531 1.007,532 1.024,533 0.901,534 0.959,535 6.5,536 0.124,537 2.889,538 1.563,539 0.893,540 0.806,541 0.325,542 0.328,543 0.296,544 0.256,545 11866,546 38959,547 1.949,548 48.2,549 11,550 8,552 2,553 2,554 2,555 2,558 1.716,559 1.822,560 3.738,561 0.262,563 1,567 94.591,568 1.689,569 3.547,570 4.58,571 5.272,572 5.343,573 5.343,574 3.185,575 4.142,576 4.832,577 3.939,578 1599.43,579 8.393,580 24055.1,582 1,584 1,585 325.212,586 1.469,587 4.777,588 0.217,589 0.005,590 0.074,591 0.042,592 0.027,593 0.027,594 0.011,595 0.012,596 0.01,597 0.009,598 0.433,599 0.33,600 0.88,601 0.94,602 152.78,603 0.04,604 -0.067,605 0.132,606 -0.029,607 -0.086,608 0.029,609 0.256,610 -0.063,611 0.005,612 -0.059,613 0.283,614 -0.114,615 -0.057,616 -0.1,617 -0.05,618 -0.063,619 -0.014,620 -0.049,621 -0.092,622 -0.041,623 -0.053,624 -0.044,625 -0.054,626 -0.023,627 -0.132,628 0.004,629 0.024,630 0.044,631 -0.148,632 -0.011,633 0.063,634 0.007,635 0.078,636 0.009,637 0.003,638 0.031,639 -0.113,640 0.002,641 -0.014,642 0.039,643 -0.123,645 0.004,646 0.015,647 -0.021,648 -0.019,649 -0.008,650 0.023,651 4.467,652 5.225,653 0.414,654 31.781,655 1.007,656 1.127,657 2.733,658 7.471,659 0.665,660 3.434,661 3.689,662 3.784,663 3.892,664 3.989,665 3.912,666 3.784,667 3.761,668 3.761,669 3.807,670 8.22,671 0.621,672 439.02,673 3.434,674 4.934,675 5.714,676 6.544,677 7.341,678 8.176,679 8.981,680 9.818,681 10.627,682 11.467,683 3.6,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 56,726 15,727 1,728 30,730 57,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 9,755 1,756 3,760 1,761 3,765 1,769 1,772 27,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 29,844 1,845 1,846 8,847 1,850 1,861 1,862 7.1,864 1,865 3,869 15.917,870 9.46,871 6.542,872 3.469,874 1.693,875 1.256,876 0.923,877 9.755,878 8.31,879 3.689,880 4.205,881 4.533,882 4.92,883 5.327,884 5.255,885 5.148,886 4.821,887 4.907,888 5.081,889 1,890 37,891 10.98,893 4.763,894 8.035,895 20.443,897 16.589,899 2.535,900 73.528,903 1,904 294.278,905 109.754,906 33.191,907 39.149,908 112.141,910 5.807,911 103.947,912 445.567,913 33.191,915 19.847,916 79.07,917 153.379,918 26.332,920 270.735,921 39.149,922 294.278,923 137.137,924 112.141,925 44.956,927 270.735,928 135.683,931 54.347,932 66.004,933 61.742,935 294.278,936 145.332,937 148.903,939 5.807,940 294.278,941 28.994,942 74.952,943 16.405,944 168.075,945 294.278,946 145.332,947 148.903,949 0.567,950 0.298,951 0.147,952 0.077,953 14,954 7,955 0.228,956 13,958 1,959 4.191,960 217.296,962 12,963 134.881,967 1,968 23.499,969 12.039,970 9.053,972 145.332,973 13.5,974 4.09,978 1.816,980 59.088,981 588.512,982 39,986 -3.55,987 35.583,991 -0.792,994 56.4,995 63.096,996 0.291,997 0.611,998 0.789,999 0.908,1000 0.92,1001 0.92,1002 4.89,1003 1.484,1004 5.694,1005 3.35,1006 4.369,1007 4.89,1008 2.258,1009 6.438,1010 4.281,1011 6.081,1012 1.07,1013 7.222,1014 3.168,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.393,1021 1,1022 8.876,1023 2.318,1024 5.948,1025 7.095,1026 3.628,1027 10.549,1028 5.745,1029 8.752,1030 1,1031 10.617,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.639,1037 6.059,1038 10.156,1039 0.723,1040 12.422,1041 2.136,1042 7.886,1043 9.729,1044 5.201,1045 15.253,1046 7.516,1047 11.593,1048 -0.026,1049 14.274,1050 1.575,1051 8.766,1052 10.972,1053 5.889,1054 17.647,1055 8.224,1056 13.059,1057 -0.122,1058 16.162,1059 -0.062,1060 10.045,1061 12.596,1062 6.849,1063 20.188,1064 9.468,1065 3.374,1066 -0.24,1067 18.076,1068 -0.288,1069 11.109,1070 14.007,1071 7.625,1072 22.67,1073 10.375,1074 2.595,1075 12.404,1076 20.01,1077 -0.533,1078 12.331,1079 15.578,1080 8.526,1081 25.194,1082 11.528,1083 2.498,1084 7.246,1085 21.958,1086 4.697,1087 13.478,1088 17.064,1089 9.342,1090 27.701,1091 12.535,1092 2.401,1093 6.948,1094 23.917,1095 3.444,1096 14.685,1097 18.617,1098 10.216,1099 30.221,1100 13.654,1101 1.964,1102 6.32,1103 25.883,1104 3.393,1105 15.869,1106 20.136,1107 11.051,1108 32.735,1109 14.711,1110 1.723,1111 4.772,1112 27.855,1113 2.817,1114 17.076,1115 21.684,1116 11.912,1117 35.254,1118 15.819,1119 1.571,1120 4.612,1121 29.831,1122 2.294,1123 18.276,1124 23.218,1125 12.755,1126 37.771,1127 16.903,1128 11821,1129 21657,1130 19.356,1131 37.233,1132 43.084,1133 44.774,1134 43.763,1135 43.027,1136 42.805,1137 55.094,1138 4.682,1139 114.251,1140 40.924,1141 5.809,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.168,1151 1.436,1152 1.492,1153 1.459,1154 1.434,1155 1.427,1156 1.836,1157 0.156,1158 3.808,1159 1.364,1160 4.075,1161 4.056,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.918,1167 3.958,1168 3.925,1169 3.822,1170 7.474,1171 3.817,1172 3.799,1173 3.847,1174 3.836,1175 3.687,1176 6.999,1177 3.678,1178 3.671,1179 3.698,1180 3.684,1181 3.583,1182 6.351,1183 3.525,1184 3.497,1185 3.52,1186 3.399,1187 3.374,1188 4.93,1189 3.337,1190 3.422,1191 3.459,1192 3.292,1193 3.223,1194 4.893,1195 3.228,1196 3.154,1197 3.201,1198 3.161,1199 2.934,1200 4.277,1201 2.941,1202 2.918,1203 2.999,1204 2.998,1205 2.756,1206 4.212,1207 2.735,1208 0.161,1209 0.156,1210 0.243,1211 0.143,1212 0.112,1213 4.844,1214 0.157,1215 4.683,1216 0.078,1217 7.293,1218 0.413,1219 4.291,1220 0.102,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.079,1229 2.034,1230 1.46,1231 2.07,1232 1.895,1233 1.854,1234 1.981,1235 2.01,1236 1.256,1237 2.034,1238 1.797,1239 1.75,1240 1.95,1241 1.937,1242 1.157,1243 1.953,1244 1.609,1245 1.569,1246 1.832,1247 1.791,1248 1.067,1249 1.812,1250 1.419,1251 1.408,1252 1.643,1253 1.612,1254 0.828,1255 1.636,1256 1.354,1257 1.322,1258 1.459,1259 1.567,1260 0.705,1261 1.582,1262 1.089,1263 1.045,1264 1.276,1265 1.337,1266 0.491,1267 1.356,1268 0.931,1269 0.857,1270 1.181,1271 1.156,1272 0.448,1273 1.198,1274 4.111,1276 5.38,1278 6.823,1280 8.347,1282 9.914,1285 5.784,1289 9.144,1290 5.279,1291 2.58,1294 0.094,1300 34.765,1301 94.591,1302 198.606,1303 256.483,1304 295.212,1305 299.212,1306 299.212,1307 99.412,1308 6.617,1309 96.36,1310 104.74,1311 12,1312 12.04,1313 4,1314 3.322,1315 65.842,1316 144,1317 130,1318 0.213,1319 225.968,1320 397.74,1321 543.123,1322 6618,1323 1.8,1324 21.115,1325 0.728,1326 0.615,1327 21.865,1328 17.831,1329 13.865,1330 0.462,1331 0.386,1332 9.793,1333 12.368,1334 9.441,1335 7.853,1336 14.975,1337 11.587,1338 12.475,1339 0.32,1340 0.238,1341 14.207,1342 9.268,1343 8.809,1344 0.205,1345 0.15,1346 10.205,1347 6.448,1348 6.654,1349 0.139,1350 0.092,1351 7.687,1352 4.398,1353 4.877,1354 0.092,1355 0.059,1356 5.837,1357 3.114,1358 0.35,1359 97.658,1360 0.227,1361 28.575,1362 0.543,1363 138,1364 446.398,1365 201.911,1366 478.698,1367 611.27,1368 436,1369 151,1370 370.182,1371 213.974,1372 420.015,1373 596.27,1374 392,1375 8.155} {0 CHEMBL34511,1 1.75,2 8.765,3 1.45,4 2.102,5 61.786,6 8.33,7 0.611,8 3.467,9 3.571,10 3.122,11 2.913,12 4.736,13 2.942,14 3.943,15 4.09,16 3.389,17 3.234,18 5.323,19 3.252,20 4.087,21 4.28,22 3.251,23 3.244,24 5.246,25 3.211,26 4.052,27 4.254,28 3.078,29 3.1,30 5.272,31 3.058,32 3.909,33 4.14,34 2.871,35 2.898,36 5.027,37 2.837,38 3.608,39 3.836,40 2.799,41 2.761,42 4.812,43 2.706,44 3.483,45 3.687,46 2.752,47 2.781,48 4.578,49 2.737,50 3.571,51 3.786,52 2.583,53 2.663,54 4.776,55 2.603,56 0.154,57 0.423,58 4.67,59 2.199,60 3.571,61 2.714,62 0.35,63 0.612,64 9.232,65 3.383,66 39.585,67 4.103,68 0.389,69 0.621,70 12.377,71 4.227,72 17.867,73 5.426,74 0.395,75 0.55,76 12.656,77 4.088,78 37.15,79 5.217,80 0.426,81 0.451,82 12.121,83 3.533,84 44.253,85 4.828,86 0.349,87 0.383,88 8.507,89 2.622,90 29.271,91 3.852,92 0.143,93 0.388,94 6.227,95 2.274,96 9.963,97 3.163,98 0.257,99 0.364,100 7.717,101 2.339,102 30.902,103 3.093,104 6,105 23,106 0.337,107 0.667,108 0.802,109 0.83,110 0.83,111 0.83,112 2.905,113 0.848,114 -2.86,115 -2.87,116 -2.78,118 39.3,124 2,140 4,142 2,143 1,149 1,156 1,162 2,168 2,171 2,172 4,180 2,185 1,186 8,194 2,198 4,209 2,210 2,221 2,222 2,234 2,246 1,247 2,258 2,270 319,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.834,277 13.32,278 7.026,279 11.865,280 8.884,281 8.884,282 8.884,283 8.884,284 8.884,285 6.504,286 13.255,287 3.337,288 9.471,289 3.058,290 1.345,291 0.643,292 0.5,293 0.5,294 0.5,295 3.561,299 1,300 1,301 310,302 2.739,305 53.19,306 59.385,313 1.543,314 19.453,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38.5,326 149,327 4.255,328 3.778,329 5.929,330 3.752,331 2.785,332 3.951,333 2.612,334 8.227,335 2.69,336 3.923,337 2.888,338 5.364,339 3.461,340 2.548,341 3.479,342 0.86,343 7.02,344 2.324,345 3.768,346 2.625,347 5.285,348 3.288,349 2.354,350 3.234,352 6.761,353 2.194,354 2.967,355 2.047,356 3.814,357 2.402,358 1.465,359 2.08,361 3.161,362 1.366,363 2.704,364 1.572,365 3.579,366 2.219,367 1.251,368 1.764,370 2.839,371 1.208,372 2.5,373 1.169,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.149,382 1,383 3.16,384 1.802,385 0.888,386 1.086,388 1.969,389 0.806,390 2.118,391 1,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.219,400 0.618,401 2.508,402 0.891,403 -0.033,404 -0.039,406 -0.078,407 -0.03,408 1,409 0.245,410 2,411 0.31,412 -0.621,413 -0.781,415 -1.418,416 -0.572,417 0.684,418 -0.264,419 1.891,421 -1,422 -1.469,424 -2,425 -1,426 0.5,427 -0.886,428 1.58,430 -1,431 -1.5,433 -2.829,434 -1,435 0.042,436 -1,437 1.023,438 -0.314,439 -1.237,440 -1.879,442 -3,443 -1.14,444 -0.118,445 -1.308,446 1,447 -0.698,448 -1.618,449 -2,451 -4.249,452 -1.446,453 -0.349,454 -1.54,455 1,456 -0.717,457 -1.621,458 -2.34,460 -4.372,461 -1.487,462 7.7,463 0.453,464 0.332,465 0.02,466 25,467 1.471,468 13.5,469 0.794,470 11.5,471 0.676,472 8.325,473 0.49,474 18.7,475 0.668,476 15.268,477 0.898,478 5.198,479 0.306,480 3.056,481 0.18,482 0.087,484 0.234,487 0.522,488 1.448,489 0.642,490 1.177,491 0.488,492 0.994,493 0.904,494 1.063,495 0.925,496 1.008,497 0.45,498 0.961,499 0.994,500 0.989,501 1.059,502 1.097,503 0.592,504 1.095,505 1.203,506 1.073,507 1.159,508 1.198,509 1.132,510 1.18,511 1.024,512 0.804,513 1.012,514 0.907,515 1.053,516 0.966,517 0.356,518 0.868,519 0.682,520 0.772,521 0.245,522 0.806,523 0.576,524 1.161,525 0.885,526 1.082,527 0.511,528 1.052,529 1.085,530 0.943,531 1.24,532 1.039,533 1.44,534 1.156,535 3,536 0.046,537 1.556,538 0.597,539 0.387,540 0.406,541 0.168,542 0.078,543 0.079,544 0.087,545 2673,546 9861,547 2.028,548 39.3,550 8,551 1,552 2,558 1.558,559 1.925,560 3.137,561 -0.634,563 1,565 1,567 48.989,568 1.75,569 3.463,570 4.164,571 4.307,572 4.307,573 4.307,574 2.542,575 3.499,576 4.059,577 3.301,578 448.873,579 6.81,580 4269.98,582 1,584 1,585 134.606,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.031,592 0.026,593 0.034,594 0.014,595 0.007,596 0.009,597 0.014,598 0.377,599 0.5,600 1,601 0.844,602 72.786,603 0.17,604 -0.235,605 0.077,606 -0.129,607 0.015,608 -0.082,609 -0.025,610 0.046,611 -0.086,612 -0.022,613 0.196,614 -0.052,615 -0.104,616 -0.025,617 -0.119,618 -0.104,619 0.021,620 -0.108,621 -0.196,622 -0.191,623 -0.16,624 -0.215,625 -0.119,626 -0.182,627 -0.001,628 0.023,629 0.059,630 0.059,631 -0.112,632 0.064,633 0.429,634 0.044,635 0.324,636 0.225,637 0.314,638 0.247,639 -0.032,640 -0.094,641 -0.024,642 -0.073,643 -0.001,644 -0.04,645 -0.192,646 0.013,647 -0.264,648 -0.098,649 -0.3,650 -0.186,651 2.435,652 3.436,653 0.647,654 13.253,655 1.029,656 1.135,657 1.63,658 2.658,659 0.658,660 2.944,661 3.178,662 3.332,663 3.434,664 3.434,665 3.434,666 3.367,667 3.219,668 3.296,669 3.367,670 5.414,671 0.654,672 233.25,673 2.944,674 4.419,675 5.209,676 6.023,677 6.828,678 7.643,679 8.451,680 9.268,681 10.077,682 10.894,683 10.7,691 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,722 1,724 28,726 13,727 1,728 18,730 29,731 11,733 9,734 2,735 4,739 2,740 2,753 9,754 2,756 2,759 1,761 2,769 1,772 11,773 4,775 6,778 1,779 3,784 1,785 3,801 1,802 1,832 2,840 17,846 2,848 1,862 10.7,867 1,868 2,869 8.833,870 4.933,871 3.861,872 1.525,874 2.039,875 1.35,876 0.934,877 3.726,878 7.862,879 3.277,880 3.823,881 4.271,882 4.709,883 4.936,884 5.059,885 5.144,886 4.875,887 5.22,888 5.686,889 0.833,890 19,891 6.205,893 2.533,894 8.137,895 11.414,897 8.684,899 2.637,900 44.833,901 0.001,904 129.482,905 79.317,906 24.355,908 61.747,911 79.317,912 191.229,913 24.355,914 5.67,915 6.698,916 46.952,917 48.946,918 29.947,919 11.771,920 94.169,921 50.747,922 129.482,923 103.671,924 61.747,927 129.482,928 11,929 50.747,931 26.263,932 54.953,933 22.456,935 129.482,936 86.101,937 79.317,940 129.482,941 14.698,942 72.188,944 78.532,945 129.482,946 86.101,947 79.317,949 0.565,950 0.313,951 0.15,952 0.066,953 10,954 4,955 0.172,956 5,958 1,959 3.107,960 105.193,962 11,963 63.487,968 11.61,969 5.456,970 3.292,972 78.532,973 11.279,974 3.911,978 0.683,979 1.894,981 294.9,982 25.5,985 -0.435,987 20.872,994 28.822,995 31.784,996 0.364,997 0.72,998 0.866,999 0.896,1000 0.896,1001 0.896,1002 4.44,1003 0.618,1004 5.142,1005 1.969,1006 3.85,1007 4.505,1008 2.616,1009 5.814,1010 3.732,1011 5.617,1012 -0.033,1013 6.619,1014 1.372,1015 3.219,1016 4.182,1017 2.361,1018 6.457,1019 3.043,1020 6.89,1021 -0.621,1022 8.193,1023 -0.078,1024 5.313,1025 6.64,1026 4.172,1027 9.429,1028 5.079,1029 8.202,1030 -1,1031 9.824,1032 -1.418,1033 5.525,1034 7.178,1035 4.506,1036 10.897,1037 5.231,1038 9.543,1039 -1,1040 11.492,1041 -2,1042 7.027,1043 9.033,1044 5.95,1045 13.312,1046 6.691,1047 10.904,1048 -1.237,1049 13.183,1050 -2.829,1051 7.623,1052 9.955,1053 6.556,1054 15.109,1055 7.232,1056 12.28,1057 -1.618,1058 14.891,1059 -3,1060 8.864,1061 11.556,1062 7.795,1063 17.321,1064 8.44,1065 2.785,1066 -1.621,1067 16.609,1068 -4.249,1069 9.65,1070 12.671,1071 8.548,1072 19.267,1073 9.177,1074 2.548,1075 8.227,1076 18.335,1077 -4.372,1078 10.768,1079 14.152,1080 9.67,1081 21.399,1082 10.266,1083 2.354,1084 7.02,1085 20.067,1086 3.951,1087 11.653,1088 15.37,1089 10.509,1090 23.417,1091 11.107,1092 1.465,1093 6.761,1094 21.804,1095 3.479,1096 12.711,1097 16.793,1098 11.563,1099 25.52,1100 12.139,1101 1.251,1102 3.161,1103 23.545,1104 3.234,1105 13.649,1106 18.07,1107 12.452,1108 27.575,1109 13.039,1110 1,1111 2.839,1112 25.29,1113 2.08,1114 14.679,1115 19.463,1116 13.468,1117 29.669,1118 14.043,1119 0.888,1120 2.275,1121 27.037,1122 1.764,1123 15.648,1124 20.775,1125 14.386,1126 31.743,1127 14.978,1128 2684,1129 5267,1130 12.019,1131 18.426,1132 26.101,1133 26.876,1134 26.202,1135 25.845,1136 25.821,1137 36.042,1138 6.945,1139 67.249,1140 24.328,1141 5.125,1142 5.778,1143 5.587,1144 4.836,1145 4.785,1146 6.951,1147 4.612,1148 13.753,1149 4.69,1150 7.125,1151 1.45,1152 1.493,1153 1.456,1154 1.436,1155 1.434,1156 2.002,1157 0.386,1158 3.736,1159 1.352,1160 3.993,1161 4.027,1162 3.951,1163 3.849,1164 7.815,1165 3.862,1166 3.908,1167 3.966,1168 3.851,1169 3.697,1170 6.999,1171 3.727,1172 3.521,1173 3.539,1174 3.488,1175 3.17,1176 4.962,1177 3.216,1178 3.289,1179 3.35,1180 3.142,1181 2.977,1182 4.815,1183 3.039,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.279,1189 2.715,1190 2.67,1191 2.722,1192 2.561,1193 2.365,1194 3.674,1195 2.417,1196 2.483,1197 2.574,1198 2.277,1199 2.282,1200 3.667,1201 2.281,1202 2.362,1203 2.468,1204 2.175,1205 2.061,1206 3.341,1207 2.07,1208 0.236,1209 0.21,1210 0.329,1211 0.208,1212 0.155,1213 4.255,1214 0.22,1215 3.778,1216 0.145,1217 5.929,1218 0.457,1219 3.752,1220 0.149,1221 2.785,1222 3.951,1223 2.612,1224 8.227,1225 2.69,1226 1.902,1227 1.88,1228 2,1229 2.081,1230 1.111,1231 2.04,1232 1.63,1233 1.563,1234 1.825,1235 1.882,1236 1.036,1237 1.864,1238 1.311,1239 1.25,1240 1.5,1241 1.652,1242 0.528,1243 1.551,1244 1.203,1245 1.172,1246 1.34,1247 1.527,1248 0.317,1249 1.514,1250 1.037,1251 0.969,1252 1.202,1253 1.344,1254 0.218,1255 1.338,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.126,1261 1.107,1262 0.482,1263 0.445,1264 0.845,1265 0.802,1267 0.811,1268 0.257,1269 0.122,1270 0.672,1271 0.602,1273 0.659,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.78,1281 6.26,1282 9.318,1290 1.186,1292 5.443,1300 18.316,1301 48.989,1302 96.954,1303 116.606,1304 120.606,1305 120.606,1306 120.606,1307 24.934,1308 5.823,1309 72.87,1310 72.87,1311 11,1312 11.479,1313 3.807,1314 3.087,1315 28.801,1316 55,1317 41,1318 0.257,1319 116.307,1320 195.87,1321 275.548,1322 2157,1324 12.088,1325 0.711,1326 0.531,1327 12.088,1328 9.022,1329 8.254,1330 0.459,1331 0.283,1332 4.963,1333 7.693,1334 4.906,1335 4.066,1336 8.254,1337 5.085,1338 7.106,1339 0.309,1340 0.148,1341 7.106,1342 3.4,1343 5.534,1344 0.205,1345 0.082,1346 5.534,1347 2.225,1348 4.138,1349 0.138,1350 0.045,1351 4.138,1352 1.352,1353 2.64,1354 0.088,1355 0.025,1356 2.64,1357 0.737,1358 0.412,1359 53.443,1360 0.288,1361 17.778,1362 0.67,1363 82,1364 332.142,1365 95.244,1366 310.062,1367 404.44,1368 286,1369 91,1370 290.749,1371 104.221,1372 284.827,1373 402.44,1374 265,1375 4.301} {0 CHEMBL345471,1 1.693,2 8.129,3 2.1,4 4.409,5 113.725,6 8.047,7 0.333,8 4.083,9 4.182,10 3.697,11 3.54,12 5.339,13 3.56,14 4.59,15 4.743,16 4.039,17 3.909,18 5.911,19 3.915,20 4.751,21 4.907,22 4.154,23 4.086,24 5.911,25 4.08,26 4.954,27 5.091,28 4.366,29 4.205,30 6.293,31 4.228,32 5.11,33 5.255,34 4.473,35 4.322,36 6.416,37 4.345,38 5.231,39 5.389,40 4.576,41 4.399,42 6.596,43 4.409,44 5.362,45 5.544,46 4.482,47 4.361,48 6.855,49 4.342,50 5.243,51 5.481,52 3.997,53 4.201,54 6.393,55 4.101,56 0.233,57 0.765,58 9.579,59 4.588,60 13.506,61 5.525,62 0.711,63 1.16,64 19.5,65 7.219,66 73.416,67 9.112,68 0.503,69 1.377,70 22.048,71 8.955,72 48.761,73 11.156,74 0.854,75 1.575,76 27.681,77 10.29,78 100.356,79 12.289,80 1.051,81 1.802,82 33.594,83 11.855,84 120.714,85 14.032,86 1.317,87 2.017,88 37.894,89 13.32,90 117.191,91 16.895,92 2.232,93 2.057,94 48.601,95 14.161,96 259.959,97 18.272,98 1.451,99 1.809,100 46.256,101 13.263,102 159.135,103 18.217,104 64,105 46,106 0.28,107 0.675,108 0.852,109 0.877,110 0.883,111 0.883,112 3.473,113 0.864,114 -3,115 -3,116 -2.9,118 39.6,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,162 2,168 7,171 3,172 9,175 1,177 1,180 9,185 1,186 12,191 1,194 7,197 3,198 19,201 1,203 3,206 8,209 2,210 14,213 1,215 1,218 4,221 6,222 13,225 3,227 3,229 4,233 12,234 12,237 3,239 1,242 2,246 2,247 5,255 3,258 3,259 5,267 1,270 1686,271 20.759,272 20.759,273 20.759,274 20.759,275 20.759,276 18.196,277 25.987,278 12.32,279 21.344,280 16.166,281 16.166,282 16.166,283 16.166,284 16.166,285 12.299,286 31.397,287 5.621,288 16.85,289 4.035,290 1.641,291 0.571,292 0.42,293 0.382,294 0.382,295 4.147,299 1,300 1,301 518,302 4.123,305 89.997,306 203.402,313 1.174,314 51.713,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 70,326 252,327 4.698,328 3.937,329 7.2,330 4.384,331 3.393,332 4.243,333 2.612,334 12.712,335 3.361,336 4.328,337 3.771,338 6.408,339 3.859,340 2.885,341 3.961,342 1.674,343 9.728,344 2.809,345 4.124,346 3.49,347 6.325,348 3.718,349 2.735,350 3.54,351 1.36,352 9.338,353 2.686,354 3.915,355 2.984,356 5.542,357 3.447,358 2.517,359 3.431,360 1.216,361 7.319,362 2.335,363 3.599,364 2.9,365 5.307,366 3.077,367 2.124,368 2.991,369 1.115,370 6.325,371 2.025,372 3.464,373 2.618,374 5.043,375 3.005,376 2.031,377 2.661,378 0.522,379 5.648,380 1.96,381 3.123,382 2.3,383 4.715,384 2.714,385 1.752,386 2.232,388 4.662,389 1.674,390 2.999,391 2.137,392 4.456,393 2.627,394 1.639,395 2.099,397 3.923,398 1.616,399 2.617,400 1.552,401 3.723,402 2.186,403 1.235,404 1.603,406 2.873,407 1.17,408 2.581,409 1.461,410 3.591,411 2.049,412 1.112,413 1.596,415 2.566,416 1.037,417 2.481,418 1.347,419 3.466,420 2,421 1,422 1.456,424 2.304,425 1,426 2.118,427 1.282,428 3.295,429 1.857,430 0.915,431 0.987,433 1.636,434 0.854,435 2.048,436 1.25,437 3.165,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.5,445 1,446 3,447 1.295,448 0.389,449 0.41,451 0.703,452 0.348,453 1.304,454 0.756,455 2.722,456 1.006,457 0.021,458 0.025,460 0.042,461 0.021,462 14.1,463 0.455,464 0.789,465 0.025,466 39.5,467 1.274,468 19,469 0.613,470 20.5,471 0.661,472 28.25,473 0.911,474 34.5,475 0.651,476 36.808,477 1.187,478 8.309,479 0.268,480 6.575,481 0.212,482 0.201,484 0.376,487 0.675,488 1.397,489 0.707,490 1.185,491 0.621,492 1.001,493 0.751,494 0.964,495 0.756,496 0.831,497 0.47,498 0.791,499 0.842,500 1.09,501 0.836,502 1.053,503 0.694,504 0.953,505 1.128,506 1.137,507 0.925,508 1.087,509 1.167,510 0.977,511 1.289,512 1.119,513 0.982,514 1.038,515 1.286,516 0.95,517 0.88,518 1.202,519 0.905,520 1.2,521 0.863,522 1.082,523 1.083,524 0.976,525 1.157,526 1.033,527 0.949,528 1.103,529 1.173,530 0.956,531 1.261,532 1.008,533 1.232,534 1.134,535 5.5,536 0.065,537 3.333,538 3.035,539 2.373,540 2.215,541 1.445,542 0.862,543 0.329,544 0.166,545 9504,546 33030,547 1.975,548 41.5,549 1,550 11,551 1,552 2,553 1,555 6,558 1.753,559 1.806,560 2.961,561 -0.265,562 1,563 1,567 89.724,568 1.693,569 4.087,570 5.157,571 5.308,572 5.346,573 5.346,574 2.392,575 4.632,576 4.924,577 3.166,578 1472.36,579 8.696,580 20270.5,582 1,584 1,585 303.58,586 1.541,587 4.858,588 0.167,589 0.008,590 0.072,591 0.058,592 0.038,593 0.032,594 0.02,595 0.014,596 0.009,597 0.007,598 0.426,599 0.33,600 1,601 1.386,602 154.747,603 0.047,604 -0.173,605 0.049,606 -0.079,607 -0.043,608 -0.036,609 0.116,610 0.147,611 0.122,612 0.202,613 0.181,614 0.176,615 -0.087,616 0.028,617 0.013,618 0.008,619 -0.048,620 0.04,621 -0.097,622 -0.059,623 -0.029,624 -0.059,625 -0.09,626 -0.033,627 -0.192,628 -0.073,629 -0.057,630 -0.024,631 -0.177,632 -0.01,633 0.126,634 -0.153,635 0.021,636 -0.199,637 0.066,638 -0.131,639 0.143,640 -0.019,641 -0.132,642 -0.095,643 0.2,644 -0.175,645 -0.187,646 -0.052,647 -0.219,648 -0.063,649 -0.177,650 -0.135,651 2.532,652 5.712,653 0.548,654 25.471,655 1.025,656 1.132,657 1.773,658 3.144,659 0.653,660 3.526,661 3.85,662 4.159,663 4.489,664 4.727,665 4.913,666 5.017,667 5.037,668 5.037,669 4.949,670 5.513,671 0.644,672 426.47,673 3.526,674 5.069,675 5.932,676 6.834,677 7.731,678 8.648,679 9.558,680 10.482,681 11.398,682 12.325,683 7.5,691 1,692 1,693 1,694 1,699 7,700 1,704 2,705 1,706 11,718 1,724 53,726 17,727 1,728 33,730 55,731 21,733 9,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 15,754 6,755 1,756 6,759 1,761 3,764 1,765 6,769 1,772 22,773 8,774 1,775 10,778 1,779 4,784 1,785 6,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,840 31,845 1,846 2,848 2,850 1,862 11.3,864 1,865 1,866 1,867 1,868 2,869 17.167,870 10.5,871 7.083,872 3.057,874 2.767,875 1.378,876 0.917,877 7.129,878 10.092,879 3.818,880 4.404,881 4.943,882 5.507,883 5.947,884 6.318,885 6.691,886 6.944,887 7.251,888 7.488,889 1,890 52,891 11.541,893 4.971,894 8.134,895 20.947,897 16.487,899 2.634,900 81.667,904 247.193,905 125.888,906 41.14,908 140.575,911 125.888,912 387.768,913 41.14,914 34.204,915 6.698,916 46.952,917 140.479,918 52.065,919 11.771,920 211.88,921 50.747,922 247.193,923 167.028,924 140.575,927 176.567,928 149.455,929 61.747,931 60.699,932 81.117,933 25.212,935 247.193,936 181.715,937 125.888,940 247.193,941 32.736,942 100.721,944 174.146,945 247.193,946 181.715,947 125.888,949 0.572,950 0.347,951 0.204,952 0.114,953 20,954 11,955 0.145,956 8,958 1,959 3.787,960 295.239,962 17,963 151.58,968 22.566,969 9.794,970 4.642,972 174.146,973 10.93,974 4.007,978 0.013,979 1.727,980 42.683,981 554.796,982 44.5,985 -0.532,987 36.218,990 4.522,991 -0.19,994 54.323,995 59.986,996 0.296,997 0.714,998 0.9,999 0.927,1000 0.933,1001 0.933,1002 5.061,1003 1.639,1004 5.932,1005 4.662,1006 4.533,1007 5.091,1008 3.28,1009 6.806,1010 4.465,1011 6.286,1012 1.235,1013 7.53,1014 3.923,1015 4.205,1016 4.966,1017 2.525,1018 7.877,1019 4.139,1020 7.617,1021 1.112,1022 9.236,1023 2.873,1024 6.168,1025 7.279,1026 4.51,1027 11.052,1028 6.057,1029 8.985,1030 1,1031 11.007,1032 2.566,1033 6.686,1034 7.972,1035 4.553,1036 12.988,1037 6.582,1038 10.387,1039 0.915,1040 12.821,1041 2.304,1042 8.129,1043 9.75,1044 6.096,1045 15.707,1046 7.998,1047 11.811,1048 0.618,1049 14.664,1050 1.636,1051 9.024,1052 10.811,1053 6.568,1054 17.996,1055 8.898,1056 13.253,1057 0.389,1058 16.529,1059 1.372,1060 10.288,1061 12.378,1062 7.854,1063 20.576,1064 10.146,1065 3.393,1066 0.021,1067 18.411,1068 0.703,1069 11.351,1070 13.615,1071 8.551,1072 23.01,1073 11.212,1074 2.885,1075 12.712,1076 20.307,1077 0.042,1078 12.558,1079 15.094,1080 9.694,1081 25.551,1082 12.409,1083 2.735,1084 9.728,1085 22.213,1086 4.243,1087 13.697,1088 16.419,1089 10.51,1090 28.045,1091 13.547,1092 2.517,1093 9.338,1094 24.128,1095 3.961,1096 14.892,1097 17.862,1098 11.573,1099 30.579,1100 14.735,1101 2.124,1102 7.319,1103 26.051,1104 3.54,1105 16.066,1106 19.233,1107 12.452,1108 33.099,1109 15.905,1110 2.031,1111 6.325,1112 27.98,1113 3.431,1114 17.263,1115 20.662,1116 13.472,1117 35.634,1118 17.096,1119 1.752,1120 5.648,1121 29.915,1122 2.991,1123 18.455,1124 22.058,1125 14.386,1126 38.165,1127 18.284,1128 9626,1129 18081,1130 21.096,1131 34.602,1132 49.432,1133 51.099,1134 52.412,1135 48.647,1136 48.729,1137 64.328,1138 17,1139 142.301,1140 46.946,1141 5.629,1142 5.937,1143 6.969,1144 5.441,1145 5.393,1146 7.243,1147 4.612,1148 20.293,1149 5.361,1150 18.656,1151 1.498,1152 1.548,1153 1.588,1154 1.474,1155 1.477,1156 1.949,1157 0.515,1158 4.312,1159 1.423,1160 4.075,1161 4.103,1162 4.041,1163 3.972,1164 7.815,1165 3.982,1166 3.922,1167 3.976,1168 3.876,1169 3.745,1170 7.433,1171 3.766,1172 3.795,1173 3.827,1174 3.757,1175 3.626,1176 6.999,1177 3.65,1178 3.553,1179 3.59,1180 3.468,1181 3.335,1182 6.473,1183 3.355,1184 3.473,1185 3.498,1186 3.43,1187 3.191,1188 4.967,1189 3.191,1190 3.402,1191 3.439,1192 3.27,1193 3.04,1194 4.765,1195 3.133,1196 3.249,1197 3.318,1198 3.069,1199 3.014,1200 4.633,1201 3.027,1202 3.1,1203 3.168,1204 2.958,1205 2.919,1206 4.497,1207 2.92,1208 0.142,1209 0.119,1210 0.218,1211 0.133,1212 0.103,1213 4.698,1214 0.129,1215 3.937,1216 0.079,1217 7.2,1218 0.385,1219 4.384,1220 0.102,1221 3.393,1222 4.243,1223 2.612,1224 12.712,1225 3.361,1226 1.996,1227 1.976,1228 2.073,1229 2.123,1230 1.304,1231 2.098,1232 1.788,1233 1.758,1234 1.897,1235 1.971,1236 1.025,1237 1.938,1238 1.546,1239 1.493,1240 1.8,1241 1.776,1242 0.937,1243 1.763,1244 1.491,1245 1.433,1246 1.719,1247 1.748,1248 0.883,1249 1.751,1250 1.314,1251 1.261,1252 1.59,1253 1.649,1254 0.651,1255 1.575,1256 1.261,1257 1.202,1258 1.52,1259 1.576,1260 0.58,1261 1.551,1262 1.225,1263 1.165,1264 1.459,1265 1.525,1266 0.45,1267 1.517,1268 1.194,1269 1.155,1270 1.281,1271 1.46,1272 0.248,1273 1.475,1274 4.205,1276 5.525,1277 2.398,1278 7.05,1279 4.443,1280 8.684,1281 6.26,1282 10.385,1284 4.528,1289 10.8,1290 0.35,1292 10.31,1294 -1.017,1300 34.116,1301 89.724,1302 216.625,1303 273.315,1304 281.315,1305 283.315,1306 283.315,1307 92.414,1308 7.325,1309 131.76,1310 131.76,1311 17,1312 12.831,1313 4.17,1314 3.644,1315 57.131,1316 96,1317 106,1318 0.283,1319 211.91,1320 383.32,1321 508.821,1322 12321,1324 22.543,1325 0.727,1326 0.558,1327 22.543,1328 17.31,1329 14.883,1330 0.451,1331 0.288,1332 9.297,1333 13.963,1334 9.034,1335 7.527,1336 14.883,1337 9.505,1338 13.099,1339 0.285,1340 0.145,1341 13.099,1342 6.685,1343 10.803,1344 0.171,1345 0.077,1346 10.803,1347 4.833,1348 9.438,1349 0.107,1350 0.04,1351 9.438,1352 3.562,1353 7.195,1354 0.064,1355 0.022,1356 7.195,1357 2.41,1358 0.417,1359 95.898,1360 0.218,1361 27.877,1362 0.875,1363 158,1364 597.408,1365 180.826,1366 557.822,1367 736.79,1368 516,1369 188,1370 529.778,1371 210.004,1372 526.753,1373 765.67,1374 490,1375 5.495} {0 CHEMBL345572,1 1.414,2 11.933,3 3.936,4 15.49,5 115.082,6 7.337,7 0.515,8 4.097,9 4.194,10 3.65,11 3.671,12 5.195,13 3.646,14 4.64,15 4.775,16 3.985,17 4.059,18 5.767,19 4.008,20 4.921,21 5.113,22 4.037,23 4.205,24 5.883,25 4.121,26 5.014,27 5.232,28 3.972,29 4.172,30 5.958,31 4.078,32 4.916,33 5.126,34 3.959,35 4.152,36 5.843,37 4.056,38 4.972,39 5.206,40 3.937,41 4.149,42 5.867,43 4.045,44 4.912,45 5.128,46 3.879,47 4.127,48 5.838,49 4.021,50 4.879,51 5.111,52 3.819,53 4.091,54 5.79,55 3.973,56 0.02,57 0.7,58 11.202,59 5.505,60 11.774,61 6.768,62 0.343,63 1.16,64 21.254,65 9.158,66 47.957,67 11.458,68 0.214,69 1.5,70 29.911,71 12.396,72 49.176,73 16.044,74 0.507,75 1.581,76 35.219,77 13.03,78 65.05,79 16.777,80 0.231,81 1.489,82 30.423,83 12.238,84 46.066,85 16.115,86 0.392,87 1.571,88 33.469,89 12.559,90 54.234,91 16.861,92 0.348,93 1.467,94 30.984,95 12.048,96 55.027,97 15.77,98 0.304,99 1.443,100 30.113,101 11.696,102 47.691,103 15.751,104 11,105 44,106 0.232,107 0.562,108 0.761,109 0.88,110 0.906,111 0.918,112 3.44,113 0.93,114 -4.62,115 -4.54,116 -4.27,118 45.5,120 3,121 1,124 1,126 1,127 1,133 2,140 9,141 4,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 8,175 1,177 1,180 20,181 1,186 9,191 1,194 17,195 1,197 1,198 10,203 1,206 13,207 1,210 9,215 1,218 12,219 1,221 1,222 10,227 1,229 13,230 1,234 8,239 1,242 16,247 3,248 2,255 17,256 1,258 2,259 4,262 2,264 1,267 16,268 1,270 1732,271 20.69,272 20.69,273 20.69,274 20.69,275 20.69,276 18.254,277 16.608,278 12.685,279 20.847,280 16.357,281 16.357,282 16.357,283 16.357,284 16.357,285 12.836,286 18.423,287 6.093,288 16.622,289 4.367,290 2.354,291 1.142,292 0.414,293 0.255,294 0.182,295 4.143,299 1,300 1,301 773,302 3.391,306 361.917,310 145.9,313 2.071,314 27.58,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 64.5,326 358,327 4.429,328 3.597,329 6.546,330 4.074,331 3.098,332 4.343,333 2.341,334 10.374,335 3.028,336 4.188,337 3.589,338 6.259,339 3.92,340 2.926,341 3.586,342 1.902,343 9.463,344 2.897,345 3.851,346 3.136,347 5.96,348 3.566,349 2.569,350 3.228,351 0.869,352 8.426,353 2.56,354 3.564,355 2.812,356 5.242,357 3.252,358 2.254,359 2.732,360 0.22,361 6.381,362 2.235,363 3.494,364 2.393,365 4.659,366 3.204,367 2.211,368 2.675,370 5.183,371 2.183,372 3.118,373 2.05,374 4.503,375 2.666,376 1.685,377 2.427,379 4.543,380 1.649,381 3.118,382 1.869,383 4.341,384 2.618,385 1.618,386 2.213,388 4.168,389 1.618,390 2.953,391 1.794,392 4.101,393 2.531,394 1.551,395 2.141,397 3.62,398 1.522,399 2.84,400 1.618,401 3.635,402 2.445,403 1.471,404 1.922,406 3.139,407 1.422,408 2.623,409 1.431,410 3.607,411 2.296,412 1.302,413 1.636,415 2.944,416 1.292,417 2.5,418 1.353,419 3.479,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.175,427 1.207,428 3.247,429 1.913,430 1,431 1.137,433 2.136,434 0.903,435 2.144,436 1,437 3.172,438 1.783,439 0.791,440 0.99,442 1.704,443 0.78,444 1.92,445 0.757,446 3.052,447 1.654,448 0.654,449 0.825,451 1.517,452 0.653,453 1.325,454 0.675,455 2.696,456 1.053,457 0.085,458 0.099,460 0.199,461 0.081,462 14.233,463 0.474,464 0.554,465 0.018,466 37,467 1.233,468 18.5,469 0.617,470 18.5,471 0.617,472 25.649,473 0.855,474 31.967,475 0.581,476 27.955,477 0.932,478 7.457,479 0.249,480 7.246,481 0.242,482 0.047,484 0.281,487 0.798,488 1.116,489 0.796,490 1.049,491 0.741,492 0.944,493 0.898,494 1.073,495 1.003,496 1.067,497 0.564,498 1.053,499 0.972,500 1.109,501 1.004,502 1.116,503 0.866,504 1.075,505 1.333,506 0.882,507 1.071,508 0.906,509 0.844,510 0.942,511 0.941,512 1.109,513 0.99,514 1.094,515 0.608,516 1.059,517 0.976,518 0.912,519 0.959,520 0.916,521 0.633,522 0.928,523 1.113,524 0.989,525 1.069,526 0.979,527 0.857,528 1.013,529 0.905,530 0.958,531 0.992,532 0.946,533 0.813,534 0.975,535 4.5,536 0.14,537 2.889,538 1.188,539 1.28,540 0.924,541 0.423,542 0.311,543 0.332,544 0.203,545 12231,546 33037,547 2.128,548 45.5,549 4,550 14,551 1,552 2,553 1,554 2,556 1,558 1.731,559 2.045,560 3.542,561 -0.415,563 1,567 77.782,568 1.414,569 3.428,570 4.64,571 5.368,572 5.527,573 5.6,574 3.14,575 4.44,576 4.869,577 3.735,578 1624.79,579 8.516,580 22959.3,582 1,584 1,585 317.975,586 1.159,587 4.862,588 0.136,589 0.005,590 0.066,591 0.026,592 0.031,593 0.023,594 0.011,595 0.008,596 0.009,597 0.006,598 0.321,599 0.17,600 1,601 1.405,602 154.959,603 -0.034,604 -0.035,605 0.044,607 -0.065,608 0.028,609 0.116,610 -0.028,611 -0.091,612 -0.055,613 0.132,614 -0.097,615 -0.056,616 -0.121,617 -0.056,618 -0.115,619 -0.07,620 -0.09,621 -0.126,622 0.079,623 -0.052,624 0.065,625 -0.064,626 0.025,627 -0.043,628 -0.127,629 -0.028,630 -0.103,631 0.007,632 -0.07,633 -0.033,634 0.077,635 0.034,636 0.054,637 -0.004,638 0.056,639 -0.128,640 -0.014,641 -0.088,642 0.005,643 -0.101,644 -0.03,645 -0.075,646 0.028,647 -0.02,648 0.036,649 -0.077,650 0.02,651 2.449,652 3.673,653 0.733,654 34.764,655 1,656 1.115,657 3.391,658 11.499,659 0.672,660 3.526,661 3.807,662 4.06,663 4.317,664 4.595,665 4.663,666 4.836,667 4.984,668 5.136,669 5.198,670 7.15,671 0.64,672 403.51,673 3.526,674 5.043,675 5.878,676 6.737,677 7.594,678 8.464,679 9.334,680 10.21,681 11.086,682 11.967,683 1.8,693 1,698 2,699 11,700 1,704 2,706 17,724 55,726 19,727 2,728 33,730 58,731 25,733 15,734 3,735 7,739 4,740 5,748 1,749 1,751 4,753 18,754 7,755 1,756 2,761 1,763 2,765 1,769 1,772 25,773 5,774 1,775 5,779 1,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,831 2,832 3,840 30,845 1,846 4,848 2,850 3,862 7.3,864 1,865 1,866 2,869 14.667,870 9.483,871 6.694,872 3.301,874 3.076,875 1.399,876 0.96,877 6.655,878 10.783,879 3.795,880 4.331,881 4.852,882 5.401,883 5.973,884 6.165,885 6.557,886 6.928,887 7.305,888 7.353,889 1,890 45,891 11.115,893 4.72,894 7.744,895 21.362,897 17.692,899 2.244,900 67.333,902 1,903 1,904 282.506,905 147.316,906 16.786,908 89.828,911 147.316,912 372.334,913 16.786,915 12.196,916 104.598,917 131.066,918 29.612,919 11.771,920 247.193,922 282.506,923 164.102,924 89.828,927 270.735,928 79.599,929 22,930 0.36,931 30.291,932 97.713,933 35.738,935 282.506,936 106.614,937 147.316,940 282.866,941 24.623,942 122.334,944 106.614,945 282.506,946 106.614,947 147.316,949 0.566,950 0.317,951 0.173,952 0.099,953 20,954 8,955 0.121,956 7,957 1,958 1.091,959 4.242,960 262.446,961 0.091,962 22,963 145.207,968 20.43,969 9.772,970 5.212,971 2.342,972 106.614,973 22.041,974 4.258,978 2.022,980 42.683,981 536.436,982 43.5,987 10.673,989 3.948,991 -0.782,994 55.014,995 61.318,996 0.245,997 0.593,998 0.803,999 0.928,1000 0.956,1001 0.969,1002 5.006,1003 1.551,1004 5.826,1005 4.168,1006 4.489,1007 5.017,1008 2.863,1009 6.592,1010 4.456,1011 6.17,1012 1.471,1013 7.348,1014 3.62,1015 3.892,1016 4.59,1017 2.521,1018 7.413,1019 3.862,1020 7.441,1021 1.302,1022 8.976,1023 3.139,1024 6.023,1025 7.125,1026 4.05,1027 10.524,1028 5.963,1029 8.745,1030 1,1031 10.67,1032 2.944,1033 6.293,1034 7.577,1035 4.358,1036 12.228,1037 6.229,1038 10.083,1039 1,1040 12.408,1041 2.476,1042 7.848,1043 9.558,1044 5.485,1045 14.826,1046 7.757,1047 11.445,1048 0.791,1049 14.177,1050 2.136,1051 8.545,1052 10.476,1053 6.075,1054 16.878,1055 8.442,1056 12.827,1057 0.654,1058 15.968,1059 1.704,1060 9.844,1061 12.192,1062 7.037,1063 19.294,1064 9.717,1065 3.098,1066 0.085,1067 17.774,1068 1.517,1069 10.753,1070 13.368,1071 7.759,1072 21.493,1073 10.61,1074 2.926,1075 10.374,1076 19.591,1077 0.199,1078 11.939,1079 14.951,1080 8.65,1081 23.842,1082 11.774,1083 2.569,1084 9.463,1085 21.417,1086 4.343,1087 12.953,1088 16.265,1089 9.435,1090 26.104,1091 12.768,1092 2.254,1093 8.426,1094 23.249,1095 3.586,1096 14.091,1097 17.784,1098 10.298,1099 28.429,1100 13.885,1101 2.211,1102 6.381,1103 25.087,1104 3.228,1105 15.155,1106 19.171,1107 11.114,1108 30.721,1109 14.927,1110 1.685,1111 5.183,1112 26.928,1113 2.732,1114 16.275,1115 20.659,1116 11.966,1117 33.04,1118 16.026,1119 1.618,1120 4.543,1121 28.773,1122 2.675,1123 17.364,1124 22.084,1125 12.798,1126 35.347,1127 17.093,1128 11688,1129 19280,1130 22.652,1131 36.96,1132 48.936,1133 49.465,1134 48.998,1135 48.411,1136 48.433,1137 62.905,1138 10.663,1139 132.546,1140 47.56,1141 5.429,1142 5.597,1143 6.348,1144 5.146,1145 5.098,1146 7.343,1147 3.925,1148 17.123,1149 5.028,1150 10.966,1151 1.483,1152 1.499,1153 1.485,1154 1.467,1155 1.468,1156 1.906,1157 0.323,1158 4.017,1159 1.441,1160 4.097,1161 4.116,1162 4.048,1163 4.051,1164 7.474,1165 4.047,1166 3.936,1167 3.968,1168 3.868,1169 3.834,1170 6.351,1171 3.837,1172 3.757,1173 3.801,1174 3.655,1175 3.644,1176 4.966,1177 3.638,1178 3.65,1179 3.68,1180 3.559,1181 3.49,1182 4.88,1183 3.498,1184 3.495,1185 3.531,1186 3.398,1187 3.387,1188 4.711,1189 3.382,1190 3.327,1191 3.355,1192 3.226,1193 3.127,1194 4.376,1195 3.145,1196 3.077,1197 3.123,1198 2.959,1199 2.975,1200 4.247,1201 2.964,1202 2.968,1203 3.016,1204 2.829,1205 2.797,1206 4.066,1207 2.793,1208 0.134,1209 0.109,1210 0.198,1211 0.123,1212 0.094,1213 4.429,1214 0.132,1215 3.597,1216 0.071,1217 6.546,1218 0.314,1219 4.074,1220 0.092,1221 3.098,1222 4.343,1223 2.341,1224 10.374,1225 3.028,1226 2.076,1227 2.059,1228 2.16,1229 2.137,1230 1.364,1231 2.145,1232 1.899,1233 1.868,1234 2.038,1235 2.029,1236 1.291,1237 2.031,1238 1.748,1239 1.705,1240 1.926,1241 1.893,1242 1.135,1243 1.906,1244 1.6,1245 1.566,1246 1.794,1247 1.796,1248 0.935,1249 1.792,1250 1.493,1251 1.453,1252 1.673,1253 1.63,1254 0.807,1255 1.642,1256 1.26,1257 1.226,1258 1.49,1259 1.489,1260 0.636,1261 1.486,1262 1.083,1263 1.039,1264 1.303,1265 1.251,1266 0.41,1267 1.261,1268 0.94,1269 0.888,1270 1.215,1271 1.172,1272 0.397,1273 1.182,1274 4.205,1276 5.493,1278 6.986,1280 8.575,1282 10.219,1289 8.775,1290 1.981,1292 12.527,1294 -0.452,1300 35.202,1301 77.782,1302 188.531,1303 255.181,1304 295.22,1305 303.975,1306 307.975,1307 53.224,1308 7.707,1309 68.65,1310 68.65,1311 24,1312 12.504,1313 4.322,1314 3.524,1315 46.91,1316 122,1317 150,1318 0.179,1319 214.511,1320 378.68,1321 515.166,1322 23201,1324 20.761,1325 0.692,1326 0.556,1327 20.761,1328 16.685,1329 14.704,1330 0.446,1331 0.31,1332 10.116,1333 14.248,1334 9.929,1335 8.193,1336 14.704,1337 10.23,1338 12.805,1339 0.291,1340 0.171,1341 12.805,1342 7.514,1343 10.447,1344 0.183,1345 0.094,1346 10.447,1347 5.349,1348 8.702,1349 0.118,1350 0.051,1351 8.702,1352 3.793,1353 7.415,1354 0.076,1355 0.028,1356 7.415,1357 2.713,1358 0.282,1359 91.601,1360 0.21,1361 28.541,1362 0.49,1363 154,1364 445.001,1365 167.787,1366 423.612,1367 570.84,1368 398,1369 178,1370 402.779,1371 191.127,1372 407.785,1373 597.18,1374 384,1375 7.301} {0 CHEMBL345586,1 1.772,2 8.719,3 2.581,4 6.663,5 112.565,6 8.136,7 0.324,8 4.121,9 4.217,10 3.736,11 3.561,12 5.348,13 3.592,14 4.658,15 4.813,16 4.107,17 3.916,18 6.096,19 3.932,20 4.762,21 4.916,22 4.161,23 4.096,24 5.887,25 4.09,26 4.969,27 5.104,28 4.389,29 4.229,30 6.282,31 4.25,32 5.148,33 5.297,34 4.531,35 4.362,36 6.44,37 4.387,38 5.311,39 5.477,40 4.627,41 4.444,42 6.71,43 4.453,44 5.383,45 5.573,46 4.466,47 4.4,48 6.639,49 4.382,50 5.32,51 5.537,52 4.308,53 4.227,54 6.808,55 4.171,56 0.229,57 0.89,58 9.745,59 5.073,60 23.423,61 5.732,62 1.195,63 1.419,64 22.103,65 7.757,66 114.517,67 9.266,68 0.602,69 1.47,70 22.158,71 9.507,72 54.488,73 11.486,74 0.956,75 1.766,76 27.766,77 11.207,78 97.795,79 12.905,80 1.166,81 2.163,82 34.557,83 13.259,84 115.208,85 15.122,86 1.86,87 2.449,88 42.867,89 15.227,90 166.728,91 18.301,92 1.868,93 2.404,94 49.454,95 15.709,96 174.446,97 18.898,98 2.527,99 2.179,100 50.361,101 14.57,102 283.573,103 18.956,104 69,105 47,106 0.293,107 0.669,108 0.864,109 0.888,110 0.894,111 0.894,112 3.504,113 0.864,114 -2.81,115 -2.82,116 -2.73,118 40,119 2,121 1,123 1,124 2,128 1,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,168 7,171 2,172 9,175 1,177 1,180 9,185 1,186 8,191 1,194 7,197 3,198 12,201 1,203 4,206 8,209 3,210 8,215 1,218 4,221 6,222 14,225 3,227 2,229 5,233 4,234 9,237 1,239 1,242 2,247 5,255 2,258 2,259 3,262 1,267 1,270 1898,271 21.413,272 21.413,273 21.413,274 21.413,275 21.413,276 19.154,277 26.136,278 12.818,279 22.315,280 16.692,281 16.692,282 16.692,283 16.692,284 16.692,285 13.253,286 31.611,287 5.904,288 17.91,289 4.009,290 1.727,291 0.55,292 0.405,293 0.368,294 0.368,295 4.179,299 1,300 1,301 573,302 4.243,305 94.382,306 211.475,313 1.236,314 55.799,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 73.5,326 279,327 4.687,328 3.915,329 7.19,330 4.376,331 3.386,332 4.183,333 2.621,334 12.673,335 3.35,336 4.173,337 3.535,338 6.334,339 3.764,340 2.809,341 3.739,342 1.674,343 9.436,344 2.699,345 4.125,346 3.452,347 6.22,348 3.712,349 2.731,350 3.555,351 1.36,352 9.153,353 2.671,354 3.892,355 3.02,356 5.487,357 3.436,358 2.509,359 3.405,360 1.216,361 7.256,362 2.318,363 3.493,364 2.974,365 5.176,366 3.057,367 2.162,368 2.667,369 1.066,370 6.153,371 1.989,372 3.233,373 2.637,374 5.01,375 2.963,376 2.084,377 2.306,378 0.616,379 5.583,380 1.809,381 3.11,382 2.433,383 4.724,384 2.729,385 1.779,386 2.212,387 0.302,388 4.74,389 1.676,390 3.009,391 2.247,392 4.561,393 2.678,394 1.728,395 2.108,397 4.516,398 1.587,399 2.759,400 1.624,401 4.024,402 2.332,403 1.385,404 1.824,406 3.175,407 1.278,408 2.601,409 1.531,410 3.607,411 2.137,412 1.177,413 1.619,415 2.837,416 1.125,417 2.47,418 1.461,419 3.588,420 2.087,421 1.161,422 1.449,424 2.583,425 1.07,426 2.118,427 1.346,428 3.303,429 1.855,430 0.911,431 0.992,433 1.639,434 0.852,435 2.054,436 1.219,437 3.171,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.511,445 0.75,446 3,447 1.302,448 0.398,449 0.423,451 0.73,452 0.355,453 1.346,454 0.618,455 2.765,456 1.024,457 0.072,458 0.084,460 0.173,461 0.067,462 14.438,463 0.451,464 0.805,465 0.025,466 37.75,467 1.18,468 16.5,469 0.516,470 21.25,471 0.664,472 31.275,473 0.977,474 36.562,475 0.665,476 36.277,477 1.134,478 8.182,479 0.256,480 7.185,481 0.225,482 0.19,484 0.374,485 2,487 0.753,488 1.228,489 0.693,490 1.264,491 0.664,492 1.03,493 0.734,494 0.713,495 0.795,496 0.748,497 0.565,498 0.773,499 0.725,500 0.819,501 0.805,502 1.026,503 0.569,504 0.96,505 0.948,506 0.956,507 0.876,508 1.089,509 0.907,510 0.997,511 1.073,512 1.059,513 0.913,514 1.092,515 1.027,516 0.983,517 0.87,518 1.092,519 0.924,520 1.132,521 0.905,522 1.062,523 1.195,524 1.01,525 1.173,526 1.096,527 1.128,528 1.13,529 0.895,530 0.971,531 1.102,532 1.06,533 0.825,534 1.149,535 6,536 0.071,537 3.111,538 2.91,539 2.493,540 2.264,541 1.258,542 1.06,543 0.37,544 0.19,545 10491,546 38417,547 1.976,548 41.8,549 1,550 11,551 1,552 3,553 1,554 3,555 3,558 1.76,559 1.811,560 3.066,561 -0.279,563 1,567 97.461,568 1.772,569 4.054,570 5.231,571 5.377,572 5.413,573 5.413,574 2.485,575 4.563,576 4.968,577 3.258,578 1615.97,579 8.783,580 22670,582 1,585 317.975,586 1.531,587 4.907,588 0.176,589 0.005,590 0.066,591 0.056,592 0.04,593 0.031,594 0.017,595 0.017,596 0.008,597 0.007,598 0.424,599 0.33,600 1,601 1.432,602 161.945,603 -0.071,604 -0.201,605 0.035,606 -0.144,607 -0.093,608 -0.045,609 0.222,610 0.323,611 0.101,612 0.263,613 0.223,614 0.174,615 -0.071,616 0.045,617 0.002,618 0.026,619 -0.047,620 0.044,621 -0.077,622 -0.067,623 -0.025,624 -0.055,625 -0.056,626 -0.034,627 -0.133,628 -0.101,629 -0.025,630 -0.068,631 -0.108,632 -0.023,633 0.113,634 -0.103,635 0.007,636 -0.129,637 0.064,638 -0.1,639 -0.168,640 -0.147,641 -0.192,642 -0.143,643 -0.157,644 -0.177,645 0.193,646 -0.051,647 -0.054,648 -0.119,649 0.247,650 -0.177,651 4.418,652 5.947,653 0.531,654 27.813,655 1.031,656 1.142,657 1.579,658 2.492,659 0.646,660 3.555,661 3.871,662 4.159,663 4.5,664 4.745,665 4.927,666 5.024,667 5.112,668 5.056,669 5.024,670 5.744,671 0.64,672 447.48,673 3.555,674 5.094,675 5.948,676 6.847,677 7.737,678 8.652,679 9.557,680 10.479,681 11.391,682 12.318,683 5.5,691 1,692 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 55,726 15,727 1,728 34,730 57,731 22,733 9,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 15,754 7,755 1,756 4,761 1,764 1,765 6,769 1,770 2,772 23,773 9,774 1,775 10,778 1,779 3,784 1,785 5,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,838 2,840 32,845 1,846 2,848 3,850 2,861 2,862 9.1,864 1,865 1,866 1,867 2,869 17.667,870 10.752,871 7.306,872 3.133,874 2.483,875 1.336,876 0.92,877 7.913,878 9.883,879 3.795,880 4.353,881 4.891,882 5.461,883 5.915,884 6.275,885 6.641,886 6.995,887 7.231,888 7.434,889 0.833,890 52,891 12.036,893 5.2,894 8.203,895 21.592,897 16.895,899 2.703,900 86.5,903 1,904 258.964,905 138.547,906 35.47,908 100.828,909 29.92,911 138.547,912 359.792,913 65.39,914 28.533,915 6.698,916 46.952,917 152.25,918 95.472,919 11.771,920 211.88,921 10.173,922 258.964,923 174.018,924 130.748,927 223.651,928 155.062,929 11,931 70.872,932 83.604,933 19.542,935 288.884,936 136.298,937 138.547,940 269.137,941 35.223,942 95.051,944 164.319,945 258.964,946 166.218,947 138.547,949 0.568,950 0.334,951 0.201,952 0.116,953 20,954 11,955 0.14,956 8,958 1,959 3.883,960 306.033,962 17,963 158,968 23.799,969 10.64,970 5.325,972 164.319,973 10.879,974 3.991,978 0.083,979 1.699,980 42.683,981 563.73,982 43.5,987 12.947,990 4.519,991 -0.276,994 56.687,995 62.789,996 0.307,997 0.701,998 0.905,999 0.93,1000 0.936,1001 0.936,1002 5.042,1003 1.728,1004 5.943,1005 4.74,1006 4.554,1007 5.04,1008 3.281,1009 6.801,1010 4.448,1011 6.25,1012 1.385,1013 7.528,1014 4.516,1015 4.205,1016 4.832,1017 2.685,1018 7.84,1019 4.079,1020 7.567,1021 1.177,1022 9.221,1023 3.175,1024 6.172,1025 7.181,1026 4.433,1027 11.015,1028 6.011,1029 8.921,1030 1.161,1031 10.98,1032 2.837,1033 6.661,1034 7.797,1035 4.749,1036 12.935,1037 6.507,1038 10.311,1039 0.911,1040 12.783,1041 2.583,1042 8.11,1043 9.609,1044 6.004,1045 15.657,1046 7.933,1047 11.725,1048 0.618,1049 14.618,1050 1.639,1051 8.985,1052 10.608,1053 6.721,1054 17.942,1055 8.82,1056 13.158,1057 0.398,1058 16.476,1059 1.372,1060 10.251,1061 12.194,1062 7.79,1063 20.523,1064 10.073,1065 3.386,1066 0.072,1067 18.353,1068 0.73,1069 11.303,1070 13.385,1071 8.663,1072 22.958,1073 11.133,1074 2.809,1075 12.673,1076 20.245,1077 0.173,1078 12.511,1079 14.869,1080 9.665,1081 25.499,1082 12.333,1083 2.731,1084 9.436,1085 22.149,1086 4.183,1087 13.645,1088 16.159,1089 10.595,1090 27.994,1091 13.469,1092 2.509,1093 9.153,1094 24.063,1095 3.739,1096 14.84,1097 17.597,1098 11.573,1099 30.528,1100 14.659,1101 2.162,1102 7.256,1103 25.985,1104 3.555,1105 16.012,1106 18.941,1107 12.524,1108 33.047,1109 15.829,1110 2.084,1111 6.153,1112 27.914,1113 3.405,1114 17.209,1115 20.36,1116 13.492,1117 35.581,1118 17.021,1119 1.779,1120 5.583,1121 29.849,1122 2.667,1123 18.401,1124 21.734,1125 14.451,1126 38.111,1127 18.208,1128 10625,1129 20478,1130 21.789,1131 35.54,1132 50.807,1133 51.164,1134 53.381,1135 49.863,1136 49.82,1137 62.986,1138 17.71,1139 144.037,1140 46.845,1141 5.575,1142 5.915,1143 6.959,1144 5.434,1145 5.386,1146 7.183,1147 4.295,1148 20.252,1149 5.35,1150 19.224,1151 1.494,1152 1.505,1153 1.57,1154 1.467,1155 1.465,1156 1.853,1157 0.521,1158 4.236,1159 1.378,1160 4.053,1161 4.083,1162 4.014,1163 3.96,1164 8.365,1165 3.968,1166 3.893,1167 3.944,1168 3.838,1169 3.735,1170 7.999,1171 3.751,1172 3.762,1173 3.791,1174 3.714,1175 3.616,1176 7.433,1177 3.637,1178 3.545,1179 3.581,1180 3.465,1181 3.324,1182 6.473,1183 3.346,1184 3.427,1185 3.468,1186 3.327,1187 3.211,1188 4.966,1189 3.212,1190 3.357,1191 3.397,1192 3.282,1193 2.996,1194 4.826,1195 3.036,1196 3.195,1197 3.268,1198 3.044,1199 2.958,1200 4.688,1201 2.991,1202 3.163,1203 3.221,1204 2.983,1205 2.951,1206 4.496,1207 2.957,1208 0.138,1209 0.115,1210 0.211,1211 0.129,1212 0.1,1213 4.687,1214 0.123,1215 3.915,1216 0.077,1217 7.19,1218 0.373,1219 4.376,1220 0.099,1221 3.386,1222 4.183,1223 2.621,1224 12.673,1225 3.35,1226 1.979,1227 1.962,1228 2.059,1229 2.079,1230 1.301,1231 2.071,1232 1.772,1233 1.744,1234 1.889,1235 1.912,1236 1.02,1237 1.905,1238 1.554,1239 1.503,1240 1.802,1241 1.788,1242 0.944,1243 1.783,1244 1.457,1245 1.388,1246 1.705,1247 1.699,1248 0.856,1249 1.706,1250 1.344,1251 1.305,1252 1.609,1253 1.63,1254 0.657,1255 1.617,1256 1.289,1257 1.222,1258 1.511,1259 1.528,1260 0.576,1261 1.515,1262 1.166,1263 1.093,1264 1.459,1265 1.525,1266 0.455,1267 1.441,1268 1.102,1269 1.065,1270 1.27,1271 1.405,1272 0.274,1273 1.44,1274 4.234,1276 5.549,1277 2.398,1278 7.062,1279 4.443,1280 8.685,1281 6.26,1282 10.377,1284 4.52,1286 26.251,1289 10.662,1290 0.308,1292 15.029,1294 -4.113,1300 35.2,1301 97.461,1302 222.965,1303 287.71,1304 295.71,1305 297.71,1306 297.71,1307 92.896,1308 7.399,1309 95.17,1310 95.17,1311 17,1312 12.825,1313 4,1314 3.392,1315 60.1,1316 102,1317 120,1318 0.276,1319 216.036,1320 395.61,1321 518.887,1322 13756,1323 3.6,1324 23.25,1325 0.727,1326 0.556,1327 21.673,1328 17.788,1329 15.367,1330 0.452,1331 0.288,1332 9.54,1333 14.348,1334 9.299,1335 7.718,1336 14.511,1337 9.793,1338 13.581,1339 0.289,1340 0.144,1341 12.359,1342 6.785,1343 10.814,1344 0.172,1345 0.077,1346 10.564,1347 4.835,1348 9.586,1349 0.108,1350 0.04,1351 9.195,1352 3.588,1353 7.393,1354 0.065,1355 0.021,1356 6.985,1357 2.433,1358 0.409,1359 99.447,1360 0.214,1361 28.733,1362 0.847,1363 162,1364 704.249,1365 191.969,1366 601.843,1367 786.25,1368 562,1369 191,1370 538.777,1371 215.329,1372 532.254,1373 788.43,1374 494,1375 4.602} {0 CHEMBL34574,1 1.553,2 10.75,3 1.794,4 3.22,5 75.286,6 7.22,7 0.524,8 3.723,9 3.834,10 3.258,11 3.188,12 4.832,13 3.182,14 4.248,15 4.424,16 3.516,17 3.499,18 5.349,19 3.47,20 4.399,21 4.605,22 3.383,23 3.543,24 5.393,25 3.466,26 4.326,27 4.535,28 3.323,29 3.481,30 5.382,31 3.391,32 4.35,33 4.587,34 3.235,35 3.37,36 5.403,37 3.284,38 4.135,39 4.371,40 3.1,41 3.276,42 5.079,43 3.188,44 4.018,45 4.228,46 3.079,47 3.294,48 5.065,49 3.173,50 4.077,51 4.353,52 2.843,53 3.177,54 4.899,55 3.018,56 0.024,57 0.524,58 8.047,59 3.453,60 5.503,61 4.524,62 0.325,63 0.784,64 15.547,65 5.233,66 28.288,67 7.059,68 0.397,69 0.817,70 19.06,71 6.342,72 33.875,73 8.462,74 0.189,75 0.778,76 17.103,77 6.235,78 30.513,79 8.494,80 0.367,81 0.731,82 18.741,83 5.843,84 46.245,85 8.098,86 0.251,87 0.635,88 14.727,89 4.865,90 24.862,91 6.806,92 0.275,93 0.627,94 12.199,95 4.769,96 23.915,97 6.827,98 0.118,99 0.61,100 13.677,101 4.864,102 17.857,103 7.29,104 9,105 26,106 0.282,107 0.62,108 0.815,109 0.854,110 0.854,111 0.854,112 3.055,113 0.944,114 -3.07,115 -3.07,116 -2.95,118 39.5,119 1,120 1,124 3,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 5,171 2,172 5,180 6,185 1,186 4,194 4,198 6,206 1,209 1,210 7,218 1,222 2,229 2,233 2,234 3,242 2,247 3,259 2,270 524,271 13.715,272 13.715,273 13.715,274 13.715,275 13.715,276 12.215,277 15.975,278 8.614,279 14.235,280 10.365,281 10.365,282 10.365,283 10.365,284 10.365,285 8.124,286 15.906,287 4.06,288 11.065,289 3.695,290 1.834,291 0.757,292 0.546,293 0.546,294 0.546,295 3.718,298 1,299 1,300 1,301 444,302 3.24,305 66.602,306 73.419,313 2.075,314 17.66,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44,326 215,327 4.065,328 3.714,329 5.558,330 3.684,331 2.703,332 3.65,333 2.491,334 7.592,335 2.654,336 3.919,337 2.921,338 5.357,339 3.46,340 2.544,341 3.478,342 0.86,343 7.009,344 2.327,345 3.689,346 2.647,347 5.242,348 3.332,349 2.381,350 2.941,351 0.473,352 6.697,353 2.248,354 3.332,355 2.486,356 4.758,357 2.941,358 1.987,359 2.542,361 5.327,362 1.877,363 2.713,364 1.814,365 3.609,366 2.348,367 1.416,368 1.776,370 3.011,371 1.314,372 2.5,373 1.632,374 3.414,375 2,376 1.039,377 1.5,379 2.275,380 1,381 2.183,382 1.204,383 3.231,384 1.967,385 1,386 1.142,388 2.086,389 0.95,390 2.118,391 1,392 3.068,393 1.831,394 0.922,395 1.058,397 1.675,398 0.831,399 2.113,400 0.756,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.409,409 0.618,410 2.562,411 1.115,412 0.15,413 0.176,415 0.34,416 0.143,417 0.925,418 0.287,419 2.287,420 0.651,421 -0.284,422 -0.318,424 -0.625,425 -0.263,426 0.669,427 0.025,428 2,429 0.392,430 -0.587,431 -0.678,433 -0.997,434 -0.561,435 0.5,436 -0.366,437 1.696,438 0.139,439 -0.851,440 -1.099,442 -2.022,443 -0.834,444 0.479,445 -0.824,446 1.426,448 -1,449 -1.5,451 -2.846,452 -1,453 0.028,454 -1,455 1.202,456 -0.328,457 -1.27,458 -1.544,460 -3,461 -1.208,462 9.3,463 0.465,464 0.311,465 0.016,466 25,467 1.25,468 12,469 0.6,470 13,471 0.65,472 13.207,473 0.66,474 22.5,475 0.592,476 16.094,477 0.805,478 5.233,479 0.262,480 4.542,481 0.227,482 0.09,484 0.204,487 0.796,488 1.555,489 0.793,490 1.324,491 0.599,492 1.099,493 1.089,494 1.004,495 0.989,496 0.982,497 0.678,498 0.957,499 1.378,500 0.847,501 1.154,502 0.924,503 1.179,504 0.991,505 0.996,506 1.205,507 1.052,508 1.275,509 1.129,510 1.195,511 1.281,512 0.897,513 1.017,514 0.927,515 1.564,516 0.93,517 1.122,518 0.854,519 0.951,520 0.816,521 1.021,522 0.849,523 0.21,524 1.18,525 0.953,526 1.204,527 0.287,528 1.221,529 0.42,530 1.145,531 0.857,532 1.152,533 0.48,534 1.099,535 3.5,536 0.053,537 1.333,538 0.722,539 0.507,540 0.344,541 0.269,542 0.122,543 0.124,544 0.047,545 4310,546 12433,547 2.024,548 47.4,550 10,551 1,552 2,554 2,555 3,558 1.608,559 1.935,560 3.407,561 -0.738,563 1,565 1,567 59.004,568 1.553,569 3.414,570 4.491,571 4.702,572 4.702,573 4.702,574 2.971,575 3.784,576 4.288,577 3.587,578 681.531,579 7.28,580 7512.8,581 1,582 1,584 1,585 199.421,586 1.157,587 4.273,588 0.167,589 0.007,590 0.051,591 0.033,592 0.025,593 0.019,594 0.016,595 0.008,596 0.01,597 0.005,598 0.341,599 0.67,600 1,601 1.413,602 92.273,603 -0.017,604 -0.34,605 0.064,606 -0.198,607 -0.016,608 -0.076,609 0.01,610 0.094,611 -0.029,612 0.013,613 0.071,614 -0.006,615 -0.185,616 0.121,617 -0.162,618 0.061,619 -0.176,620 -0.031,621 -0.066,622 -0.233,623 -0.105,624 -0.255,625 -0.019,626 -0.197,627 -0.09,628 -0.001,629 0.002,630 0.021,631 -0.11,632 0.026,633 -0.143,634 0.094,635 0.028,636 0.164,637 -0.095,638 0.134,639 0.367,640 -0.133,641 -0.068,642 -0.15,643 0.216,644 -0.187,645 0.086,646 -0.207,647 0.064,648 -0.161,649 0.03,650 -0.069,651 1.874,652 4.339,653 0.55,654 20.02,655 1.007,656 1.13,657 1.838,658 3.38,659 0.644,660 3.091,661 3.296,662 3.434,663 3.584,664 3.584,665 3.555,666 3.611,667 3.611,668 3.611,669 3.555,670 6.42,671 0.616,672 274.35,673 3.091,674 4.554,675 5.333,676 6.142,677 6.934,678 7.748,679 8.547,680 9.361,681 10.164,682 10.979,683 5.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 38,726 12,727 1,728 21,730 39,731 15,733 9,734 2,735 4,739 2,740 2,745 1,751 1,753 10,754 5,756 1,761 1,765 1,768 1,769 1,772 18,773 4,775 5,778 1,779 2,784 1,785 3,801 1,802 1,819 1,832 2,836 1,840 20,846 4,848 2,862 7.9,865 1,867 2,869 10.333,870 6.983,871 4.667,872 2.325,874 1.904,875 1.311,876 0.926,877 5.624,878 8.031,879 3.35,880 3.823,881 4.243,882 4.704,883 4.916,884 4.902,885 5.121,886 5.299,887 5.411,888 5.645,889 1,890 22,891 7.359,893 2.919,894 7.8,895 13.978,897 10.587,899 2.3,900 46,901 0.001,904 211.88,905 102.889,906 18.685,908 47.145,911 102.889,912 259.025,913 18.685,914 8.825,915 13.825,916 46.952,917 81.283,918 41.375,919 11.771,920 176.567,922 211.88,923 121.574,924 47.145,927 176.567,928 82.458,931 42.215,932 62.573,933 16.786,935 211.88,936 65.829,937 102.889,940 211.88,941 29.445,942 75.343,944 63.93,945 211.88,946 65.829,947 102.889,949 0.548,950 0.3,951 0.157,952 0.07,953 10,954 4,955 0.205,956 8,958 1,959 3.455,960 129.398,962 11,963 82.439,968 14.601,969 7.704,970 5.013,972 63.93,973 12.875,974 3.966,978 1.711,979 1.953,981 380.598,982 27.5,987 11.339,991 -0.207,994 38.254,995 42.946,996 0.296,997 0.65,998 0.856,999 0.896,1000 0.896,1001 0.896,1002 4.508,1003 0.922,1004 5.242,1005 2.086,1006 3.97,1007 4.505,1008 2.599,1009 5.883,1010 3.858,1011 5.646,1012 0.618,1013 6.688,1014 1.675,1015 3.219,1016 3.98,1017 2.243,1018 6.389,1019 3.088,1020 6.888,1021 0.15,1022 8.225,1023 1.372,1024 5.398,1025 6.53,1026 3.955,1027 9.389,1028 5.189,1029 8.165,1030 -0.284,1031 9.814,1032 0.34,1033 5.485,1034 6.849,1035 4.356,1036 10.702,1037 5.249,1038 9.47,1039 -0.587,1040 11.435,1041 -0.625,1042 7.048,1043 8.793,1044 5.608,1045 13.127,1046 6.76,1047 10.794,1048 -0.851,1049 13.076,1050 -0.997,1051 7.537,1052 9.507,1053 6.296,1054 14.78,1055 7.218,1056 12.131,1057 -1,1058 14.731,1059 -2.022,1060 8.814,1061 11.174,1062 7.364,1063 16.975,1064 8.458,1065 2.703,1066 -1.27,1067 16.395,1068 -2.846,1069 9.515,1070 12.102,1071 8.171,1072 18.793,1073 9.129,1074 2.544,1075 7.592,1076 18.065,1077 -3,1078 10.646,1079 13.621,1080 9.157,1081 20.884,1082 10.234,1083 2.381,1084 7.009,1085 19.739,1086 3.65,1087 11.464,1088 14.675,1089 10.02,1090 22.787,1091 11.026,1092 1.987,1093 6.697,1094 21.417,1095 3.478,1096 12.52,1097 16.108,1098 10.968,1099 24.831,1100 12.061,1101 1.416,1102 5.327,1103 23.098,1104 2.941,1105 13.405,1106 17.24,1107 11.856,1108 26.78,1109 12.922,1110 1.039,1111 3.011,1112 24.781,1113 2.542,1114 14.421,1115 18.621,1116 12.786,1117 28.801,1118 13.922,1119 1,1120 2.275,1121 26.466,1122 1.776,1123 15.344,1124 19.803,1125 13.687,1126 30.776,1127 14.826,1128 4329,1129 7439,1130 14.099,1131 24.466,1132 29.893,1133 30.346,1134 30.074,1135 29.514,1136 29.52,1137 38.381,1138 7.648,1139 74.768,1140 27.841,1141 4.943,1142 5.714,1143 5.33,1144 4.77,1145 4.703,1146 6.65,1147 4.241,1148 13.025,1149 4.654,1150 8.159,1151 1.423,1152 1.445,1153 1.432,1154 1.405,1155 1.406,1156 1.828,1157 0.364,1158 3.56,1159 1.326,1160 3.964,1161 4.012,1162 3.9,1163 3.866,1164 7.432,1165 3.866,1166 3.891,1167 3.934,1168 3.83,1169 3.698,1170 4.963,1171 3.727,1172 3.588,1173 3.618,1174 3.494,1175 3.35,1176 4.83,1177 3.373,1178 3.38,1179 3.439,1180 3.221,1181 3.183,1182 4.467,1183 3.18,1184 3.253,1185 3.313,1186 3.075,1187 3.069,1188 4.306,1189 3.061,1190 2.854,1191 2.925,1192 2.7,1193 2.735,1194 3.723,1195 2.715,1196 2.801,1197 2.828,1198 2.687,1199 2.571,1200 3.674,1201 2.603,1202 2.531,1203 2.631,1204 2.314,1205 2.316,1206 3.625,1207 2.3,1208 0.194,1209 0.177,1210 0.265,1211 0.175,1212 0.129,1213 4.065,1214 0.174,1215 3.714,1216 0.119,1217 5.558,1218 0.362,1219 3.684,1220 0.126,1221 2.703,1222 3.65,1223 2.491,1224 7.592,1225 2.654,1226 1.911,1227 1.89,1228 2.025,1229 2.015,1230 1.168,1231 2.017,1232 1.632,1233 1.567,1234 1.832,1235 1.871,1236 1.081,1237 1.862,1238 1.506,1239 1.457,1240 1.803,1241 1.763,1242 0.938,1243 1.77,1244 1.317,1245 1.259,1246 1.524,1247 1.531,1248 0.675,1249 1.53,1250 1.282,1251 1.223,1252 1.488,1253 1.514,1254 0.523,1255 1.507,1256 1.069,1257 0.999,1258 1.32,1259 1.347,1260 0.313,1261 1.347,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.675,1269 0.647,1270 1.009,1271 0.967,1272 0.113,1273 0.972,1274 3.761,1276 4.99,1277 2.398,1278 6.389,1279 4.443,1280 7.864,1281 6.26,1282 9.382,1284 1.801,1290 2.037,1292 10.525,1300 23.402,1301 59.004,1302 129.716,1303 170.666,1304 178.666,1305 178.666,1306 178.666,1307 30.206,1308 6.127,1309 53.35,1310 53.35,1311 11,1312 11.566,1313 3.7,1314 2.907,1315 36.838,1316 77,1317 72,1318 0.233,1319 147.882,1320 254.07,1321 352.591,1322 3318,1324 14.209,1325 0.71,1326 0.574,1327 14.209,1328 11.489,1329 9.775,1330 0.465,1331 0.315,1332 6.481,1333 9.241,1334 6.334,1335 5.263,1336 9.775,1337 6.608,1338 8.098,1339 0.311,1340 0.164,1341 8.098,1342 4.275,1343 6.183,1344 0.206,1345 0.092,1346 6.183,1347 2.755,1348 4.93,1349 0.141,1350 0.051,1351 4.93,1352 1.77,1353 3.139,1354 0.09,1355 0.028,1356 3.139,1357 0.984,1358 0.381,1359 62.157,1360 0.266,1361 20.814,1362 0.599,1363 94,1364 328.497,1365 106.935,1366 303.74,1367 403.66,1368 286,1369 103,1370 282.475,1371 114.721,1372 280.269,1373 400.58,1374 263,1375 5.538} {0 CHEMBL346590,1 1.379,2 11.9,3 4.398,4 19.34,5 116.858,6 6.714,7 0.375,8 4.171,9 4.284,10 3.637,11 3.703,12 5.215,13 3.661,14 4.739,15 4.905,16 3.977,17 4.098,18 5.778,19 4.027,20 5.047,21 5.246,22 4.044,23 4.276,24 5.955,25 4.168,26 5.255,27 5.513,28 4.005,29 4.29,30 6.095,31 4.169,32 5.079,33 5.289,34 4.051,35 4.333,36 5.965,37 4.209,38 5.28,39 5.55,40 4.035,41 4.373,42 6.073,43 4.224,44 5.169,45 5.413,46 3.933,47 4.314,48 6.014,49 4.161,50 5.157,51 5.445,52 3.828,53 4.229,54 5.956,55 4.064,56 0.04,57 0.792,58 13.898,59 6.33,60 13.161,61 8.255,62 0.388,63 1.291,64 25.915,65 10.42,66 53.336,67 13.942,68 0.24,69 1.679,70 35.521,71 13.991,72 49.116,73 18.95,74 0.786,75 1.85,76 46.417,77 15.497,78 84.477,79 21.249,80 0.21,81 1.773,82 36.339,83 14.753,84 47.583,85 20.295,86 0.511,87 2.021,88 46.146,89 16.764,90 67.73,91 23.869,92 0.39,93 1.85,94 40.804,95 15.397,96 61.904,97 21.566,98 0.44,99 1.796,100 40.912,101 14.52,102 61.38,103 21.104,104 23,105 43,106 0.224,107 0.547,108 0.755,109 0.85,110 0.87,111 0.87,112 3.44,113 0.987,114 -4.5,115 -4.43,116 -4.17,118 41,119 2,120 4,121 1,122 1,124 1,126 1,127 1,133 2,140 7,141 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 8,175 1,177 1,180 18,181 1,186 11,191 1,194 14,195 1,197 1,198 8,203 1,206 14,207 1,210 9,215 1,218 17,219 1,221 1,222 10,227 1,229 15,230 1,234 9,239 1,242 16,247 2,248 2,255 16,256 1,258 2,259 4,262 2,264 1,267 16,268 1,270 1756,271 20.059,272 20.059,273 20.059,274 20.059,275 20.059,276 18.115,277 18.055,278 12.319,279 20.216,280 15.854,281 15.854,282 15.854,283 15.854,284 15.854,285 13.145,286 18.062,287 5.927,288 16.116,289 4.552,290 2.564,291 1.29,292 0.705,293 0.582,294 0.582,295 4.122,299 1,300 1,301 744,302 4.183,306 324.928,313 2.04,314 28.625,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 64.5,326 357,327 4.426,328 3.675,329 7.315,330 4.402,331 3.407,332 3.603,333 2.341,334 12.546,335 3.389,336 4.139,337 3.597,338 6.5,339 3.959,340 2.984,341 3.535,342 1.465,343 10.191,344 2.905,345 3.821,346 3.262,347 5.391,348 3.434,349 2.435,350 3.23,351 0.811,352 6.95,353 2.432,354 3.566,355 2.674,356 5.243,357 3.256,358 2.262,359 2.731,361 6.396,362 2.237,363 3.509,364 2.415,365 4.751,366 3.216,367 2.221,368 2.672,370 5.184,371 2.192,372 3.118,373 2.179,374 4.659,375 2.728,376 1.744,377 2.204,379 4.939,380 1.709,381 2.906,382 1.926,383 4.129,384 2.558,385 1.584,386 2.058,388 3.658,389 1.544,390 2.84,391 1.86,392 3.644,393 2.446,394 1.472,395 1.92,397 3.141,398 1.423,399 2.586,400 1.508,401 3.604,402 2.385,403 1.388,404 1.581,406 3.022,407 1.382,408 2.5,409 1.395,410 3.48,411 2,412 1,413 1.5,415 2.476,416 1,417 2.5,418 1.213,419 3.247,420 1.958,421 1,422 1.5,424 2.136,425 0.955,426 2.169,427 1,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.918,436 1,437 3.188,438 1.773,439 0.778,440 0.832,442 1.67,443 0.769,444 1.291,445 0.737,446 2.987,447 1.044,448 0.075,449 0.085,451 0.177,452 0.072,453 1.088,454 0.335,455 2.664,456 0.869,457 -0.131,458 -0.151,460 -0.346,461 -0.131,462 14.233,463 0.474,464 0.718,465 0.024,466 32.5,467 1.083,468 14.5,469 0.483,470 18,471 0.6,472 31.608,473 1.054,474 33.767,475 0.554,476 24.36,477 0.812,478 6.286,479 0.21,480 8.168,481 0.272,482 0.117,483 0.035,484 0.211,487 0.807,488 1.248,489 0.894,490 1.184,491 0.764,492 1.072,493 0.871,494 1.094,495 0.985,496 1.082,497 0.551,498 1.054,499 1.015,500 1.297,501 1.114,502 1.303,503 0.871,504 1.237,505 1.559,506 0.678,507 1.022,508 0.692,509 0.849,510 0.769,511 0.78,512 1.289,513 1.076,514 1.286,515 0.543,516 1.235,517 0.855,518 0.894,519 0.91,520 0.903,521 0.546,522 0.911,523 0.945,524 1.116,525 1.089,526 1.104,527 0.757,528 1.118,529 0.809,530 0.822,531 0.901,532 0.828,533 0.717,534 0.862,535 6,536 0.148,537 3.111,538 1.813,539 1.476,540 1.16,541 0.587,542 0.467,543 0.34,544 0.18,545 11414,546 29430,547 2.024,548 50.8,549 12,550 12,551 1,552 2,553 1,554 2,556 1,558 1.732,559 1.905,560 3.517,561 -0.415,563 1,567 84.098,568 1.379,569 3.367,570 4.641,571 5.225,572 5.349,573 5.349,574 3.111,575 4.282,576 4.868,577 3.726,578 1620.76,579 8.522,580 22948.7,582 1,585 361.775,586 1.433,587 4.835,588 0.188,589 0.005,590 0.072,591 0.042,592 0.035,593 0.026,594 0.014,595 0.012,596 0.01,597 0.006,598 0.41,599 0.17,600 1,601 1.533,602 154.899,603 -0.022,604 -0.058,605 0.04,606 -0.022,607 -0.061,608 0.011,609 0.144,610 0.002,611 -0.01,612 -0.01,613 0.158,614 -0.029,615 -0.051,616 -0.264,617 -0.145,618 -0.264,619 -0.078,620 -0.225,621 -0.172,622 0.243,623 0.02,624 0.241,625 -0.062,626 0.169,627 -0.023,628 -0.246,629 -0.134,630 -0.237,631 0.016,632 -0.208,633 -0.004,634 0.07,635 0.061,636 0.061,637 0.019,638 0.07,639 -0.082,640 -0.129,641 -0.125,642 -0.107,643 -0.082,644 -0.123,645 -0.042,646 0.146,647 0.064,648 0.118,649 -0.041,650 0.112,651 2.444,652 3.681,653 0.6,654 35.538,655 0.995,656 1.124,657 3.273,658 10.71,659 0.643,660 3.497,661 3.784,662 3.97,663 4.19,664 4.419,665 4.466,666 4.585,667 4.663,668 4.7,669 4.718,670 7.124,671 0.603,672 409.57,673 3.497,674 5.017,675 5.832,676 6.693,677 7.535,678 8.408,679 9.265,680 10.146,681 11.012,682 11.899,683 1.6,693 1,699 9,700 1,704 2,706 12,724 61,726 14,727 1,728 32,730 63,731 25,733 11,734 1,735 5,739 3,740 3,745 2,746 1,748 1,749 1,751 5,753 14,754 11,755 1,756 2,761 1,763 2,765 1,769 1,772 31,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 30,845 1,846 5,848 2,850 3,852 1,862 6.6,864 1,865 1,866 2,869 15.75,870 11.067,871 6.681,872 3.656,874 1.798,875 1.25,876 0.908,877 7.923,878 8.983,879 3.714,880 4.174,881 4.538,882 4.968,883 5.414,884 5.319,885 5.581,886 5.844,887 5.979,888 6.183,889 1,890 43,891 11.143,893 4.644,894 7.725,895 21.524,897 17.633,899 2.225,900 66.75,902 1,903 1,904 353.133,905 143.403,906 16.786,908 89.828,911 143.403,912 442.961,913 16.786,914 17.65,915 14.731,916 85.646,917 131.066,918 24.466,919 11.771,920 317.82,922 353.133,923 160.188,924 89.828,927 341.362,928 79.599,929 22,930 0.36,931 50.476,932 73.615,933 35.738,935 353.133,936 106.614,937 143.403,940 353.493,941 22.012,942 121.031,944 106.614,945 353.133,946 106.614,947 143.403,949 0.57,950 0.308,951 0.161,952 0.091,953 18,954 8,955 0.143,956 9,958 1,959 4.134,960 254.022,962 18,963 141.207,968 22.363,969 10.629,970 6.592,972 106.614,973 18,974 4.274,978 2.307,980 42.683,981 603.149,982 40,987 10.681,989 3.971,991 -0.777,994 60.665,995 68.564,996 0.232,997 0.568,998 0.783,999 0.881,1000 0.902,1001 0.902,1002 4.942,1003 1.472,1004 5.82,1005 3.658,1006 4.466,1007 4.86,1008 2.719,1009 6.624,1010 4.432,1011 6.104,1012 1.388,1013 7.377,1014 3.141,1015 4.111,1016 4.407,1017 2.243,1018 7.796,1019 4.087,1020 7.379,1021 1,1022 9.06,1023 3.022,1024 6.084,1025 6.811,1026 3.865,1027 10.835,1028 6.028,1029 8.685,1030 1,1031 10.827,1032 2.476,1033 6.594,1034 7.088,1035 4.112,1036 12.893,1037 6.547,1038 10.025,1039 1,1040 12.651,1041 2.136,1042 8.067,1043 9.027,1044 5.308,1045 15.541,1046 7.994,1047 11.388,1048 0.778,1049 14.515,1050 2.136,1051 8.971,1052 9.658,1053 5.889,1054 17.897,1055 8.902,1056 12.771,1057 0.075,1058 16.408,1059 1.67,1060 10.26,1061 11.374,1062 6.893,1063 20.444,1064 10.175,1065 3.407,1066 -0.131,1067 18.321,1068 0.177,1069 11.338,1070 12.208,1071 7.625,1072 22.902,1073 11.254,1074 2.984,1075 12.546,1076 20.25,1077 -0.346,1078 12.566,1079 13.788,1080 8.543,1081 25.423,1082 12.471,1083 2.435,1084 10.191,1085 22.191,1086 3.603,1087 13.719,1088 14.752,1089 9.342,1090 27.918,1091 13.623,1092 2.262,1093 6.95,1094 24.14,1095 3.535,1096 14.929,1097 16.243,1098 10.223,1099 30.436,1100 14.826,1101 2.221,1102 6.396,1103 26.096,1104 3.23,1105 16.115,1106 17.296,1107 11.051,1108 32.946,1109 16.01,1110 1.744,1111 5.184,1112 28.057,1113 2.731,1114 17.323,1115 18.724,1116 11.915,1117 35.466,1118 17.213,1119 1.584,1120 4.939,1121 30.022,1122 2.672,1123 18.524,1124 19.839,1125 12.755,1126 37.984,1127 18.412,1128 11278,1129 18196,1130 21.148,1131 39.245,1132 47.579,1133 48.084,1134 47.518,1135 46.665,1136 46.702,1137 57.174,1138 9.234,1139 129.242,1140 45.829,1141 5.426,1142 5.675,1143 7.117,1144 5.474,1145 5.407,1146 6.603,1147 3.925,1148 19.976,1149 5.389,1150 14.59,1151 1.487,1152 1.503,1153 1.485,1154 1.458,1155 1.459,1156 1.787,1157 0.289,1158 4.039,1159 1.432,1160 4.002,1161 4.031,1162 3.925,1163 3.907,1164 7.474,1165 3.904,1166 3.9,1167 3.935,1168 3.828,1169 3.822,1170 6.351,1171 3.82,1172 3.759,1173 3.803,1174 3.661,1175 3.646,1176 4.932,1177 3.641,1178 3.703,1179 3.742,1180 3.597,1181 3.575,1182 4.776,1183 3.57,1184 3.565,1185 3.613,1186 3.442,1187 3.414,1188 4.716,1189 3.412,1190 3.33,1191 3.358,1192 3.221,1193 3.117,1194 4.373,1195 3.135,1196 2.991,1197 3.064,1198 2.833,1199 2.855,1200 4.131,1201 2.837,1202 2.966,1203 3.016,1204 2.826,1205 2.795,1206 4.066,1207 2.791,1208 0.138,1209 0.115,1210 0.229,1211 0.138,1212 0.106,1213 4.426,1214 0.113,1215 3.675,1216 0.073,1217 7.315,1218 0.392,1219 4.402,1220 0.106,1221 3.407,1222 3.603,1223 2.341,1224 12.546,1225 3.389,1226 1.948,1227 1.92,1228 2.089,1229 2.07,1230 1.383,1231 2.073,1232 1.895,1233 1.864,1234 2.033,1235 2,1236 1.308,1237 2.015,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.134,1243 1.906,1244 1.69,1245 1.648,1246 1.894,1247 1.847,1248 1.019,1249 1.861,1250 1.547,1251 1.499,1252 1.776,1253 1.734,1254 0.935,1255 1.75,1256 1.256,1257 1.221,1258 1.495,1259 1.508,1260 0.649,1261 1.497,1262 1.018,1263 0.947,1264 1.417,1265 1.239,1266 0.513,1267 1.308,1268 0.94,1269 0.888,1270 1.351,1271 1.219,1272 0.469,1273 1.268,1274 4.174,1276 5.468,1278 6.956,1280 8.534,1282 10.165,1284 4.355,1289 8.783,1290 2.902,1292 12.731,1294 -0.286,1296 -0.19,1300 36.783,1301 84.098,1302 205.359,1303 283.104,1304 318.755,1305 326.265,1306 326.265,1307 69.212,1308 7.185,1309 68.65,1310 68.65,1311 18,1312 12.435,1313 3.907,1314 3.17,1315 55.077,1316 121,1317 150,1318 0.213,1319 227.759,1320 407.22,1321 547.492,1322 11807,1324 21.399,1325 0.713,1326 0.591,1327 21.399,1328 17.738,1329 14.454,1330 0.452,1331 0.329,1332 10.418,1333 14.003,1334 10.087,1335 8.414,1336 14.454,1337 10.532,1338 13.061,1339 0.304,1340 0.199,1341 13.061,1342 8.559,1343 9.805,1344 0.189,1345 0.105,1346 9.805,1347 5.444,1348 7.914,1349 0.122,1350 0.06,1351 7.914,1352 3.879,1353 6.388,1354 0.078,1355 0.032,1356 6.388,1357 2.657,1358 0.334,1359 90.105,1360 0.217,1361 28.538,1362 0.585,1363 150,1364 417.001,1365 163.787,1366 395.645,1367 524.86,1368 370,1369 170,1370 362.779,1371 183.791,1372 369,1373 534.56,1374 344,1375 7.921} {0 CHEMBL346644,1 1.476,2 18.308,3 5.151,4 26.528,5 148.924,6 6.996,7 0.405,8 4.401,9 4.516,10 3.902,11 3.925,12 5.467,13 3.895,14 4.961,15 5.134,16 4.203,17 4.313,18 6.023,19 4.243,20 5.247,21 5.485,22 4.215,23 4.436,24 6.182,25 4.322,26 5.265,27 5.507,28 4.189,29 4.399,30 6.218,31 4.289,32 5.196,33 5.428,34 4.152,35 4.384,36 6.152,37 4.275,38 5.188,39 5.426,40 4.127,41 4.373,42 6.135,43 4.255,44 5.177,45 5.424,46 4.094,47 4.313,48 6.125,49 4.2,50 5.089,51 5.33,52 4.099,53 4.258,54 6.058,55 4.165,56 0.031,57 1.04,58 16.655,59 7.472,60 11.742,61 9.775,62 0.388,63 1.677,64 31.322,65 12.422,66 56.131,67 16.889,68 0.496,69 2.056,70 43.92,71 16.33,72 71.892,73 22.911,74 0.645,75 2.024,76 45.613,77 15.969,78 83.499,79 22.441,80 0.555,81 1.948,82 41.957,83 15.064,84 74.99,85 21.097,86 0.403,87 1.964,88 41.24,89 15.034,90 64.599,91 21.38,92 0.521,93 1.908,94 41.494,95 14.189,96 69.943,97 20.429,98 0.312,99 1.781,100 37.49,101 13.025,102 50.44,103 18.685,104 16,105 54,106 0.227,107 0.558,108 0.74,109 0.838,110 0.872,111 0.872,112 3.692,113 0.989,114 -4.53,115 -4.46,116 -4.2,118 40.8,120 9,121 1,124 3,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 6,175 2,177 1,180 23,181 1,185 1,186 9,189 2,191 1,194 20,195 1,197 1,198 9,201 1,203 1,206 16,207 1,209 1,210 8,215 3,218 15,219 1,221 1,222 8,227 5,229 12,230 1,233 1,234 10,239 5,242 8,243 2,247 12,252 4,255 4,256 3,258 2,259 15,260 1,264 4,267 1,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 14.051,278 16.658,279 27.094,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.059,286 9.779,287 7.996,288 21.235,289 4.772,290 2.621,291 1.437,292 0.804,293 0.579,294 0.579,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 39.206,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 84.5,326 714,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,351 0.86,352 8.178,353 2.589,354 3.639,355 2.829,356 5.34,357 3.509,358 2.521,359 3.06,361 6.965,362 2.491,363 3.55,364 2.658,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.522,373 2.264,374 4.659,375 3.196,376 2.209,377 2.534,379 5.184,380 2.18,381 3.269,382 2.154,383 4.542,384 2.811,385 1.843,386 2.518,388 4.677,389 1.786,390 2.996,391 2.033,392 4.17,393 2.678,394 1.715,395 2.143,397 3.872,398 1.651,399 2.757,400 1.891,401 3.957,402 2.571,403 1.598,404 1.798,406 3.482,407 1.541,408 2.708,409 1.555,410 3.714,411 2.454,412 1.476,413 1.715,415 3.162,416 1.44,417 2.513,418 1.533,419 3.634,420 2.354,421 1.379,422 1.502,424 3.063,425 1.335,426 2.5,427 1.307,428 3.478,429 2.063,430 1.085,431 1.5,433 2.63,434 1.056,435 2.5,436 1.278,437 3.414,438 2,439 1,440 1.5,442 2.323,443 1,444 2.415,445 1.171,446 3.389,447 2,448 1,449 1.363,451 2.275,452 1,453 2.341,454 1,455 3.267,456 1.956,457 1,458 1.243,460 2.136,461 0.953,462 18.367,463 0.471,464 0.661,465 0.017,466 44.75,467 1.147,468 20.5,469 0.526,470 24.25,471 0.622,472 38.26,473 0.981,474 43.433,475 0.571,476 36.382,477 0.933,478 8.426,479 0.216,480 10.672,481 0.274,482 0.054,484 0.245,487 0.784,488 1.294,489 0.851,490 1.168,491 0.64,492 1.041,493 0.777,494 1.172,495 0.989,496 1.137,497 0.502,498 1.104,499 0.783,500 0.979,501 0.918,502 1.001,503 0.757,504 0.988,505 0.983,506 0.939,507 0.941,508 0.922,509 0.884,510 0.927,511 0.969,512 0.966,513 0.996,514 0.949,515 0.845,516 0.973,517 0.812,518 1.083,519 0.986,520 1.059,521 0.725,522 1.05,523 0.899,524 1.019,525 0.965,526 0.964,527 0.906,528 0.967,529 0.883,530 1.058,531 0.902,532 0.998,533 0.891,534 0.949,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 71543,547 2.082,548 48.7,549 16,550 13,551 1,552 2,553 2,554 2,555 1,558 1.79,559 2,560 4.093,561 0.111,567 112.148,568 1.476,569 3.626,570 4.811,571 5.444,572 5.669,573 5.669,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 474.842,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.75,601 1.233,602 225.902,603 -0.036,604 -0.084,605 0.04,606 -0.023,607 -0.009,608 0.014,609 0.089,610 -0.06,611 -0.053,612 -0.071,613 0.149,614 -0.085,615 0.041,616 0.017,617 0.043,618 0.01,619 0.032,620 0.021,621 0.01,622 0.031,623 0.049,624 0.064,625 -0.009,626 0.062,627 -0.04,628 0.036,629 -0.022,630 0.052,631 -0.048,632 0.024,633 -0.019,634 -0.068,635 -0.029,636 -0.054,637 -0.006,638 -0.046,639 -0.005,640 -0.015,641 0.015,642 0.01,643 -0.04,644 0.017,645 -0.03,646 -0.031,647 0.069,648 -0.015,649 -0.038,650 0.039,651 2.437,652 5.504,653 0.59,654 67.057,655 1,656 1.126,657 3.301,658 10.899,659 0.648,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.613,672 531.71,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.9,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 76,726 20,727 1,728 42,730 79,731 31,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 9,753 18,754 13,755 1,756 3,761 2,763 1,765 3,772 37,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 12,847 1,848 1,850 1,862 6.6,864 1,865 2,866 1,867 1,869 19.5,870 13.183,871 8.861,872 4.971,874 3.021,875 1.376,876 0.943,877 11.308,878 11.047,879 3.998,880 4.48,881 4.983,882 5.495,883 5.944,884 6.23,885 6.645,886 7.011,887 7.397,888 7.743,889 1,890 53,891 14.481,893 6.033,894 7.761,895 27.952,897 22.73,899 2.261,900 88.167,904 411.989,905 156.403,906 51.582,908 113.48,911 156.403,912 525.469,913 51.582,915 52.112,916 78.073,917 171.721,918 43.101,919 11.771,920 376.675,922 411.989,923 207.985,924 113.48,927 400.217,928 114.252,929 11,931 77.984,932 86.954,933 43.047,935 411.989,936 165.062,937 156.403,940 411.989,941 60.235,942 96.168,943 18.011,944 147.051,945 411.989,946 165.062,947 156.403,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.177,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 28.728,969 15.351,970 9.159,972 165.062,973 16.619,974 8.624,976 5.599,978 3.365,980 60.694,981 733.454,982 53.5,987 23.287,989 2.125,991 -0.024,994 75.963,995 85.6,996 0.236,997 0.58,998 0.77,999 0.871,1000 0.907,1001 0.907,1002 5.2,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.168,1008 2.586,1009 6.723,1010 4.656,1011 6.345,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.604,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.213,1026 3.72,1027 10.556,1028 6.126,1029 8.901,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.357,1038 10.236,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.579,1044 5.221,1045 14.785,1046 7.888,1047 11.599,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.546,1056 12.982,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 12.116,1062 6.852,1063 19.199,1064 9.817,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.688,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.75,1080 8.526,1081 23.702,1082 11.846,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.823,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.053,1097 17.438,1098 10.216,1099 28.251,1100 13.933,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.963,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.055,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.113,1128 27880,1129 43989,1130 28.602,1131 49.233,1132 61.564,1133 62.903,1134 61.749,1135 60.718,1136 60.738,1137 76.397,1138 8.518,1139 160.195,1140 59.552,1141 5.411,1142 5.596,1143 6.304,1144 5.103,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.78,1151 1.466,1152 1.498,1153 1.47,1154 1.446,1155 1.446,1156 1.819,1157 0.203,1158 3.814,1159 1.418,1160 4.046,1161 4.069,1162 4.003,1163 3.969,1164 7.474,1165 3.971,1166 3.89,1167 3.939,1168 3.849,1169 3.774,1170 7.429,1171 3.772,1172 3.885,1173 3.916,1174 3.747,1175 3.757,1176 6.351,1177 3.758,1178 3.739,1179 3.78,1180 3.675,1181 3.595,1182 5.149,1183 3.613,1184 3.722,1185 3.766,1186 3.598,1187 3.576,1188 4.916,1189 3.575,1190 3.563,1191 3.615,1192 3.44,1193 3.34,1194 4.661,1195 3.353,1196 3.451,1197 3.485,1198 3.344,1199 3.282,1200 4.594,1201 3.289,1202 3.297,1203 3.36,1204 3.165,1205 3.097,1206 4.23,1207 3.091,1208 0.105,1209 0.086,1210 0.155,1211 0.096,1212 0.072,1213 4.411,1214 0.097,1215 3.596,1216 0.056,1217 6.502,1218 0.243,1219 4.036,1220 0.072,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.11,1229 2.055,1230 1.507,1231 2.064,1232 1.887,1233 1.835,1234 2.079,1235 2.034,1236 1.327,1237 2.062,1238 1.798,1239 1.767,1240 1.955,1241 1.912,1242 1.163,1243 1.921,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 1.046,1249 1.899,1250 1.603,1251 1.558,1252 1.809,1253 1.855,1254 0.963,1255 1.839,1256 1.433,1257 1.396,1258 1.644,1259 1.632,1260 0.922,1261 1.629,1262 1.398,1263 1.361,1264 1.602,1265 1.631,1266 0.835,1267 1.613,1268 1.251,1269 1.182,1270 1.513,1271 1.476,1272 0.825,1273 1.489,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.865,1290 10.456,1291 2.846,1292 5.752,1294 0.652,1300 46.594,1301 112.148,1302 275.611,1303 365.665,1304 413.723,1305 430.842,1306 430.842,1307 89.289,1308 8.026,1309 114.55,1310 114.55,1311 23,1312 12.544,1313 4.392,1314 3.644,1315 70.774,1316 243,1317 263,1318 0.137,1319 286.722,1320 510.63,1321 691.362,1322 41503,1324 27.288,1325 0.7,1326 0.572,1327 27.288,1328 22.311,1329 19.097,1330 0.455,1331 0.33,1332 13.681,1333 18.416,1334 13.45,1335 11.161,1336 19.097,1337 13.845,1338 16.221,1339 0.3,1340 0.184,1341 16.221,1342 9.949,1343 12.978,1344 0.194,1345 0.104,1346 12.978,1347 6.956,1348 10.358,1349 0.126,1350 0.059,1351 10.358,1352 4.825,1353 8.01,1354 0.083,1355 0.034,1356 8.01,1357 3.299,1358 0.226,1359 119.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 574.715,1365 210.337,1366 545.022,1367 728.94,1368 510,1369 217,1370 514.923,1371 234.317,1372 518.626,1373 751.35,1374 488,1375 7.435} {0 CHEMBL347224,1 1.772,2 8.688,3 3.011,4 9.065,5 112.873,6 8.136,7 0.324,8 4.121,9 4.217,10 3.736,11 3.561,12 5.348,13 3.592,14 4.658,15 4.813,16 4.107,17 3.916,18 6.096,19 3.932,20 4.762,21 4.916,22 4.161,23 4.096,24 5.887,25 4.09,26 4.969,27 5.104,28 4.389,29 4.229,30 6.283,31 4.25,32 5.148,33 5.297,34 4.531,35 4.362,36 6.438,37 4.387,38 5.312,39 5.478,40 4.628,41 4.445,42 6.705,43 4.455,44 5.392,45 5.582,46 4.479,47 4.411,48 6.634,49 4.393,50 5.341,51 5.558,52 4.337,53 4.261,54 6.823,55 4.206,56 0.229,57 0.89,58 9.745,59 5.073,60 23.423,61 5.732,62 1.195,63 1.419,64 22.103,65 7.757,66 114.517,67 9.266,68 0.602,69 1.47,70 22.158,71 9.507,72 54.488,73 11.486,74 0.956,75 1.766,76 27.766,77 11.207,78 97.314,79 12.905,80 1.166,81 2.163,82 34.557,83 13.259,84 116.9,85 15.122,86 1.863,87 2.455,88 42.805,89 15.163,90 165.272,91 18.204,92 1.871,93 2.429,94 49.865,95 15.876,96 172.177,97 19.174,98 2.56,99 2.239,100 51.248,101 14.743,102 286.001,103 19.213,104 69,105 47,106 0.293,107 0.669,108 0.864,109 0.888,110 0.894,111 0.894,112 3.504,113 0.864,114 -2.81,115 -2.82,116 -2.73,118 40,119 2,121 1,123 1,124 2,128 1,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,168 7,171 2,172 9,175 1,177 1,180 9,185 1,186 8,191 1,194 7,197 3,198 13,201 1,203 3,206 8,209 2,210 8,213 1,215 1,218 4,221 6,222 13,225 3,227 3,229 4,233 4,234 10,237 1,239 1,242 2,247 5,255 3,258 3,259 3,267 1,270 1878,271 21.413,272 21.413,273 21.413,274 21.413,275 21.413,276 19.154,277 26.422,278 12.818,279 22.315,280 16.692,281 16.692,282 16.692,283 16.692,284 16.692,285 13.25,286 31.748,287 5.904,288 17.91,289 4.009,290 1.727,291 0.55,292 0.405,293 0.368,294 0.368,295 4.179,299 1,300 1,301 571,302 4.243,305 92.999,306 211.475,313 1.207,314 55.742,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 73.5,326 278,327 4.686,328 3.914,329 7.19,330 4.376,331 3.386,332 4.18,333 2.621,334 12.673,335 3.35,336 4.171,337 3.537,338 6.334,339 3.766,340 2.81,341 3.738,342 1.674,343 9.442,344 2.705,345 4.119,346 3.466,347 6.219,348 3.708,349 2.728,350 3.537,351 1.36,352 9.141,353 2.661,354 3.908,355 3.058,356 5.489,357 3.44,358 2.512,359 3.428,360 1.216,361 7.266,362 2.326,363 3.493,364 2.903,365 5.177,366 3.054,367 2.162,368 2.678,369 1.115,370 6.153,371 1.983,372 3.234,373 2.671,374 5.011,375 2.963,376 2.082,377 2.307,378 0.522,379 5.596,380 1.808,381 3.115,382 2.362,383 4.715,384 2.717,385 1.763,386 2.218,387 0.302,388 4.671,389 1.672,390 2.999,391 2.293,392 4.564,393 2.688,394 1.741,395 2.099,397 4.552,398 1.589,399 2.757,400 1.629,401 4.029,402 2.333,403 1.386,404 1.823,406 3.187,407 1.279,408 2.581,409 1.53,410 3.62,411 2.173,412 1.226,413 1.597,415 2.859,416 1.157,417 2.481,418 1.461,419 3.583,420 2.047,421 1.107,422 1.457,424 2.566,425 1.036,426 2.118,427 1.303,428 3.295,429 1.86,430 0.917,431 0.993,433 1.641,434 0.856,435 2.052,436 1.262,437 3.167,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.504,445 0.757,446 3,447 1.299,448 0.397,449 0.418,451 0.72,452 0.353,453 1.326,454 0.618,455 2.73,456 1.029,457 0.076,458 0.086,460 0.179,461 0.07,462 14.438,463 0.451,464 0.805,465 0.025,466 37.75,467 1.18,468 16.5,469 0.516,470 21.25,471 0.664,472 31.313,473 0.979,474 36.562,475 0.665,476 36.282,477 1.134,478 8.182,479 0.256,480 7.185,481 0.225,482 0.19,484 0.374,485 2,487 0.753,488 1.228,489 0.693,490 1.264,491 0.664,492 1.03,493 0.734,494 0.713,495 0.795,496 0.748,497 0.565,498 0.773,499 0.725,500 0.819,501 0.805,502 1.026,503 0.569,504 0.96,505 0.948,506 0.956,507 0.876,508 1.089,509 0.905,510 0.997,511 1.073,512 1.059,513 0.913,514 1.092,515 1.028,516 0.983,517 0.877,518 1.093,519 0.936,520 1.134,521 0.892,522 1.067,523 1.181,524 1.017,525 1.159,526 1.098,527 1.081,528 1.126,529 0.895,530 0.948,531 1.105,532 1.032,533 0.818,534 1.13,535 6,536 0.071,537 3.111,538 2.91,539 2.493,540 2.208,541 1.258,542 1.091,543 0.37,544 0.215,545 10443,546 38377,547 1.976,548 41.8,549 1,550 11,551 1,552 3,553 1,555 6,558 1.761,559 1.811,560 3.049,561 -0.279,563 1,567 97.461,568 1.772,569 4.054,570 5.231,571 5.377,572 5.413,573 5.413,574 2.476,575 4.476,576 4.969,577 3.238,578 1606.21,579 8.786,580 22588.7,582 1,585 317.975,586 1.531,587 4.907,588 0.176,589 0.006,590 0.066,591 0.056,592 0.04,593 0.031,594 0.017,595 0.018,596 0.008,597 0.008,598 0.425,599 0.33,600 1,601 1.432,602 161.834,603 -0.071,604 -0.201,605 0.035,606 -0.144,607 -0.093,608 -0.045,609 0.222,610 0.323,611 0.101,612 0.263,613 0.223,614 0.174,615 -0.071,616 0.045,617 0.002,618 0.026,619 -0.047,620 0.044,621 -0.077,622 -0.067,623 -0.025,624 -0.055,625 -0.055,626 -0.034,627 -0.133,628 -0.101,629 -0.025,630 -0.068,631 -0.109,632 -0.023,633 0.108,634 -0.101,635 -0.006,636 -0.133,637 0.059,638 -0.109,639 -0.162,640 -0.156,641 -0.179,642 -0.144,643 -0.149,644 -0.172,645 0.18,646 -0.027,647 -0.062,648 -0.095,649 0.244,650 -0.161,651 4.418,652 5.746,653 0.531,654 27.773,655 1.031,656 1.142,657 1.579,658 2.492,659 0.646,660 3.555,661 3.871,662 4.159,663 4.5,664 4.745,665 4.927,666 5.03,667 5.124,668 5.056,669 5.011,670 5.711,671 0.64,672 447.48,673 3.555,674 5.094,675 5.948,676 6.847,677 7.737,678 8.652,679 9.557,680 10.479,681 11.392,682 12.318,683 5.5,691 1,692 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 55,726 15,727 1,728 34,730 57,731 22,733 9,734 2,735 4,736 6,739 3,740 3,745 2,749 1,753 15,754 7,755 1,756 4,761 1,764 1,765 6,769 1,770 2,772 23,773 9,774 1,775 10,778 1,779 3,784 1,785 5,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,838 2,840 32,845 1,846 2,848 3,850 2,861 2,862 9.1,864 1,865 1,866 1,867 2,869 17.667,870 10.752,871 7.306,872 3.133,874 2.598,875 1.351,876 0.92,877 7.913,878 9.998,879 3.795,880 4.353,881 4.891,882 5.457,883 5.901,884 6.247,885 6.6,886 6.948,887 7.188,888 7.405,889 0.833,890 52,891 12.035,893 5.199,894 8.203,895 21.592,897 16.895,899 2.703,900 86.5,903 1,904 258.964,905 138.547,906 35.47,908 100.828,909 29.92,911 138.547,912 359.792,913 65.39,914 28.533,915 6.698,916 46.952,917 152.25,918 95.472,919 11.771,920 211.88,921 10.173,922 258.964,923 174.018,924 130.748,927 188.338,928 190.375,929 11,931 70.872,932 83.604,933 19.542,935 288.884,936 136.298,937 138.547,940 269.137,941 35.223,942 95.051,944 164.319,945 258.964,946 166.218,947 138.547,949 0.568,950 0.334,951 0.201,952 0.116,953 20,954 11,955 0.14,956 8,958 1,959 3.878,960 306.328,962 17,963 158,968 23.799,969 10.64,970 5.325,972 164.319,973 10.909,974 4.002,978 0.083,979 1.715,980 42.683,981 563.73,982 43.5,987 12.746,990 4.519,991 -0.276,994 56.687,995 62.789,996 0.307,997 0.701,998 0.905,999 0.93,1000 0.936,1001 0.936,1002 5.042,1003 1.741,1004 5.943,1005 4.671,1006 4.554,1007 5.04,1008 3.281,1009 6.801,1010 4.448,1011 6.25,1012 1.386,1013 7.528,1014 4.552,1015 4.205,1016 4.832,1017 2.685,1018 7.84,1019 4.079,1020 7.567,1021 1.226,1022 9.221,1023 3.187,1024 6.172,1025 7.181,1026 4.437,1027 11.015,1028 6.011,1029 8.921,1030 1.107,1031 10.98,1032 2.859,1033 6.661,1034 7.797,1035 4.749,1036 12.935,1037 6.507,1038 10.311,1039 0.917,1040 12.783,1041 2.566,1042 8.11,1043 9.607,1044 6.006,1045 15.657,1046 7.933,1047 11.725,1048 0.618,1049 14.618,1050 1.641,1051 8.985,1052 10.607,1053 6.721,1054 17.942,1055 8.82,1056 13.158,1057 0.397,1058 16.476,1059 1.372,1060 10.251,1061 12.191,1062 7.791,1063 20.523,1064 10.073,1065 3.386,1066 0.076,1067 18.353,1068 0.72,1069 11.303,1070 13.382,1071 8.663,1072 22.958,1073 11.133,1074 2.81,1075 12.673,1076 20.245,1077 0.179,1078 12.511,1079 14.864,1080 9.665,1081 25.499,1082 12.333,1083 2.728,1084 9.442,1085 22.149,1086 4.18,1087 13.645,1088 16.153,1089 10.595,1090 27.994,1091 13.469,1092 2.512,1093 9.141,1094 24.063,1095 3.738,1096 14.84,1097 17.591,1098 11.573,1099 30.528,1100 14.659,1101 2.162,1102 7.266,1103 25.985,1104 3.537,1105 16.012,1106 18.934,1107 12.524,1108 33.047,1109 15.83,1110 2.082,1111 6.153,1112 27.914,1113 3.428,1114 17.209,1115 20.353,1116 13.492,1117 35.581,1118 17.021,1119 1.763,1120 5.596,1121 29.849,1122 2.678,1123 18.401,1124 21.726,1125 14.451,1126 38.111,1127 18.208,1128 10581,1129 20428,1130 21.789,1131 35.54,1132 50.706,1133 51.165,1134 53.376,1135 49.868,1136 49.822,1137 62.973,1138 17.62,1139 144.038,1140 46.846,1141 5.617,1142 5.914,1143 6.959,1144 5.434,1145 5.386,1146 7.18,1147 4.295,1148 20.252,1149 5.35,1150 19.235,1151 1.491,1152 1.505,1153 1.57,1154 1.467,1155 1.465,1156 1.852,1157 0.518,1158 4.236,1159 1.378,1160 4.051,1161 4.081,1162 4.012,1163 3.959,1164 8.365,1165 3.967,1166 3.896,1167 3.948,1168 3.841,1169 3.733,1170 7.999,1171 3.751,1172 3.764,1173 3.791,1174 3.716,1175 3.622,1176 7.433,1177 3.642,1178 3.553,1179 3.59,1180 3.468,1181 3.335,1182 6.473,1183 3.355,1184 3.403,1185 3.44,1186 3.327,1187 3.191,1188 4.968,1189 3.191,1190 3.357,1191 3.397,1192 3.27,1193 3.02,1194 4.825,1195 3.038,1196 3.249,1197 3.318,1198 3.069,1199 2.962,1200 4.681,1201 3.025,1202 3.1,1203 3.169,1204 2.959,1205 2.919,1206 4.497,1207 2.921,1208 0.138,1209 0.115,1210 0.211,1211 0.129,1212 0.1,1213 4.686,1214 0.123,1215 3.914,1216 0.077,1217 7.19,1218 0.373,1219 4.376,1220 0.099,1221 3.386,1222 4.18,1223 2.621,1224 12.673,1225 3.35,1226 1.979,1227 1.962,1228 2.059,1229 2.078,1230 1.297,1231 2.07,1232 1.771,1233 1.743,1234 1.889,1235 1.913,1236 1.016,1237 1.906,1238 1.545,1239 1.493,1240 1.8,1241 1.769,1242 0.937,1243 1.763,1244 1.491,1245 1.433,1246 1.719,1247 1.747,1248 0.88,1249 1.749,1250 1.314,1251 1.261,1252 1.59,1253 1.577,1254 0.651,1255 1.574,1256 1.261,1257 1.202,1258 1.52,1259 1.528,1260 0.58,1261 1.517,1262 1.225,1263 1.156,1264 1.459,1265 1.525,1266 0.45,1267 1.476,1268 1.104,1269 1.071,1270 1.27,1271 1.46,1272 0.275,1273 1.44,1274 4.234,1276 5.549,1277 2.398,1278 7.062,1279 4.443,1280 8.685,1281 6.26,1282 10.377,1284 4.494,1286 26.251,1289 10.824,1290 0.318,1292 15.029,1294 -4.113,1300 35.2,1301 97.461,1302 222.965,1303 287.71,1304 295.71,1305 297.71,1306 297.71,1307 92.787,1308 7.399,1309 95.17,1310 95.17,1311 17,1312 12.825,1313 4,1314 3.392,1315 60.076,1316 102,1317 112,1318 0.277,1319 216.036,1320 395.61,1321 518.887,1322 13756,1323 3.6,1324 23.25,1325 0.727,1326 0.556,1327 21.673,1328 17.788,1329 15.367,1330 0.452,1331 0.288,1332 9.54,1333 14.348,1334 9.299,1335 7.718,1336 14.511,1337 9.793,1338 13.581,1339 0.289,1340 0.144,1341 12.359,1342 6.785,1343 10.814,1344 0.172,1345 0.077,1346 10.564,1347 4.835,1348 9.586,1349 0.108,1350 0.04,1351 9.195,1352 3.587,1353 7.405,1354 0.065,1355 0.021,1356 6.997,1357 2.439,1358 0.41,1359 99.447,1360 0.214,1361 28.703,1362 0.852,1363 162,1364 704.249,1365 191.969,1366 601.843,1367 786.25,1368 562,1369 191,1370 538.777,1371 215.329,1372 532.254,1373 788.43,1374 494,1375 5.959} {0 CHEMBL347343,1 1.476,2 18.308,3 4.882,4 23.838,5 149.058,6 6.996,7 0.405,8 4.401,9 4.516,10 3.902,11 3.925,12 5.465,13 3.895,14 4.961,15 5.133,16 4.207,17 4.308,18 6.027,19 4.24,20 5.251,21 5.49,22 4.213,23 4.42,24 6.188,25 4.313,26 5.239,27 5.475,28 4.185,29 4.391,30 6.212,31 4.286,32 5.189,33 5.42,34 4.142,35 4.405,36 6.109,37 4.29,38 5.219,39 5.459,40 4.133,41 4.397,42 6.182,43 4.272,44 5.193,45 5.449,46 4.092,47 4.324,48 6.112,49 4.206,50 5.107,51 5.345,52 4.107,53 4.253,54 6.084,55 4.162,56 0.031,57 1.04,58 16.655,59 7.472,60 12.027,61 9.775,62 0.369,63 1.675,64 31.295,65 12.408,66 54.778,67 16.879,68 0.506,69 2.04,70 44.442,71 16.105,72 74.861,73 22.516,74 0.715,75 1.991,76 44.37,77 15.431,78 84.176,79 21.618,80 0.404,81 1.962,82 41.157,83 15.415,84 62.778,85 21.532,86 0.464,87 2.022,88 42.625,89 15.526,90 76.6,91 22.178,92 0.441,93 1.947,94 42.102,95 14.453,96 65.484,97 21.036,98 0.464,99 1.774,100 38.566,101 13.185,102 55.759,103 18.77,104 16,105 54,106 0.227,107 0.553,108 0.731,109 0.838,110 0.872,111 0.872,112 3.692,113 0.992,114 -4.53,115 -4.46,116 -4.2,118 40.8,120 10,124 2,126 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 19,169 1,171 1,172 8,175 2,177 2,180 21,181 1,185 1,186 9,189 1,191 1,194 19,195 1,197 1,198 9,201 2,203 1,206 18,207 1,210 8,215 2,218 17,219 1,221 1,222 9,227 5,229 13,230 1,233 1,234 9,239 5,242 9,243 2,246 1,247 10,252 4,255 6,256 3,258 2,259 13,260 1,264 4,267 3,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 16.898,278 16.658,279 27.093,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.059,286 15.104,287 7.996,288 21.251,289 4.772,290 2.652,291 1.498,292 0.804,293 0.579,294 0.579,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 39.69,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 84.5,326 714,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,351 0.86,352 8.178,353 2.59,354 3.639,355 2.87,356 5.34,357 3.467,358 2.521,359 3.06,361 6.965,362 2.382,363 3.55,364 2.829,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.522,373 2.263,374 4.659,375 3.197,376 2.209,377 2.534,379 5.184,380 2.18,381 3.269,382 2.037,383 4.542,384 2.817,385 1.843,386 2.518,388 4.677,389 1.794,390 2.996,391 1.933,392 4.17,393 2.694,394 1.715,395 2.143,397 3.872,398 1.674,399 2.757,400 1.888,401 3.957,402 2.579,403 1.598,404 1.798,406 3.482,407 1.557,408 2.708,409 1.605,410 3.714,411 2.448,412 1.476,413 1.715,415 3.162,416 1.431,417 2.513,418 1.533,419 3.634,420 2.365,421 1.379,422 1.502,424 3.063,425 1.355,426 2.5,427 1.307,428 3.478,429 2.069,430 1.085,431 1.5,433 2.63,434 1.063,435 2.5,436 1.224,437 3.414,438 2,439 1,440 1.5,442 2.323,443 1,444 2.415,445 1.17,446 3.389,447 2,448 1,449 1.363,451 2.275,452 1,453 2.341,454 1,455 3.267,456 1.958,457 1,458 1.243,460 2.136,461 0.955,462 18.367,463 0.471,464 0.661,465 0.017,466 44.75,467 1.147,468 20.5,469 0.526,470 24.25,471 0.622,472 38.355,473 0.983,474 43.433,475 0.571,476 36.287,477 0.93,478 8.403,479 0.215,480 10.694,481 0.274,482 0.054,484 0.245,487 0.784,488 1.294,489 0.851,490 1.168,491 0.643,492 1.041,493 0.763,494 1.2,495 0.98,496 1.164,497 0.496,498 1.116,499 0.925,500 0.958,501 0.924,502 0.957,503 0.797,504 0.947,505 1.021,506 0.903,507 0.984,508 0.9,509 0.918,510 0.932,511 0.905,512 1.015,513 1,514 1.005,515 0.855,516 1.018,517 0.76,518 1.097,519 0.99,520 1.065,521 0.79,522 1.063,523 0.813,524 1.002,525 0.928,526 0.964,527 0.751,528 0.956,529 0.947,530 1.018,531 0.908,532 0.959,533 0.892,534 0.925,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 71935,547 2.082,548 48.7,549 12,550 12,551 1,552 2,553 2,554 2,555 4,556 2,558 1.79,559 2,560 4.093,561 0.111,567 112.148,568 1.476,569 3.596,570 4.75,571 5.444,572 5.669,573 5.669,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 474.842,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.75,601 1.233,602 225.902,603 -0.036,604 -0.084,605 0.04,606 -0.023,607 -0.012,608 0.014,609 0.103,610 -0.088,611 -0.044,612 -0.099,613 0.154,614 -0.098,615 -0.014,616 0.029,617 0.051,618 0.043,619 0.013,620 0.053,621 0.007,622 0.085,623 0.008,624 0.085,625 -0.022,626 0.051,627 -0.084,628 -0.008,629 -0.044,630 0.015,631 -0.083,632 -0.006,633 0.015,634 -0.087,635 -0.034,636 -0.061,637 0.009,638 -0.057,639 -0.007,640 0.005,641 0.044,642 0.007,643 -0.01,644 0.033,645 0.018,646 -0.012,647 0.079,648 0.019,649 -0.024,650 0.056,651 2.436,652 5.518,653 0.59,654 67.057,655 1,656 1.126,657 3.301,658 10.899,659 0.648,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.613,672 531.71,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.9,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 76,726 20,727 1,728 42,730 79,731 31,733 14,734 2,735 4,736 3,739 4,740 4,748 6,751 11,753 18,754 13,756 3,761 2,763 1,765 3,772 37,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 12,847 1,848 1,850 1,862 6.6,864 1,865 2,866 1,867 1,869 19.5,870 13.183,871 8.861,872 5.026,874 3.021,875 1.376,876 0.945,877 11.308,878 11.047,879 3.998,880 4.48,881 4.983,882 5.495,883 5.944,884 6.23,885 6.645,886 7.011,887 7.397,888 7.743,889 1,890 53,891 14.484,893 6.037,894 7.761,895 27.952,897 22.716,899 2.261,900 88.167,904 411.989,905 154.345,906 51.582,908 113.48,911 154.345,912 525.469,913 51.582,915 50.054,916 78.073,917 171.721,918 43.101,919 11.771,920 376.675,922 411.989,923 205.927,924 113.48,927 341.362,928 173.107,929 11,931 75.926,932 86.954,933 43.047,935 411.989,936 165.062,937 154.345,940 411.989,941 58.177,942 96.168,943 18.011,944 147.051,945 411.989,946 165.062,947 154.345,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.177,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 28.728,969 15.351,970 9.159,972 165.062,973 16.645,974 8.635,976 5.606,978 3.394,980 60.694,981 731.396,982 53.5,987 23.303,989 2.127,991 0.002,994 75.963,995 85.6,996 0.236,997 0.575,998 0.76,999 0.871,1000 0.907,1001 0.907,1002 5.2,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.168,1008 2.586,1009 6.723,1010 4.652,1011 6.345,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.967,1020 7.604,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.213,1026 3.72,1027 10.556,1028 6.113,1029 8.901,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.329,1038 10.236,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.579,1044 5.221,1045 14.785,1046 7.868,1047 11.599,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.516,1056 12.982,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 12.116,1062 6.852,1063 19.199,1064 9.794,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.661,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.75,1080 8.526,1081 23.702,1082 11.822,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.799,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.053,1097 17.438,1098 10.216,1099 28.251,1100 13.912,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.943,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.038,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.097,1128 27880,1129 44093,1130 28.602,1131 49.233,1132 61.564,1133 62.696,1134 61.749,1135 60.749,1136 60.738,1137 76.397,1138 8.518,1139 160.195,1140 59.494,1141 5.411,1142 5.596,1143 6.304,1144 5.097,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.78,1151 1.466,1152 1.493,1153 1.47,1154 1.446,1155 1.446,1156 1.819,1157 0.203,1158 3.814,1159 1.417,1160 4.046,1161 4.069,1162 4.003,1163 3.969,1164 7.474,1165 3.971,1166 3.89,1167 3.923,1168 3.849,1169 3.757,1170 7.429,1171 3.772,1172 3.87,1173 3.914,1174 3.735,1175 3.742,1176 6.351,1177 3.731,1178 3.741,1179 3.783,1180 3.674,1181 3.597,1182 5.149,1183 3.616,1184 3.723,1185 3.771,1186 3.598,1187 3.58,1188 4.916,1189 3.576,1190 3.601,1191 3.656,1192 3.463,1193 3.42,1194 4.661,1195 3.42,1196 3.453,1197 3.486,1198 3.349,1199 3.291,1200 4.599,1201 3.297,1202 3.264,1203 3.31,1204 3.163,1205 3.009,1206 4.23,1207 3.033,1208 0.105,1209 0.086,1210 0.155,1211 0.096,1212 0.072,1213 4.411,1214 0.097,1215 3.596,1216 0.056,1217 6.502,1218 0.243,1219 4.036,1220 0.072,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.086,1229 2.055,1230 1.466,1231 2.063,1232 1.86,1233 1.808,1234 2.079,1235 2.022,1236 1.327,1237 2.045,1238 1.798,1239 1.767,1240 1.955,1241 1.912,1242 1.183,1243 1.921,1244 1.717,1245 1.665,1246 1.902,1247 1.886,1248 1.163,1249 1.899,1250 1.651,1251 1.595,1252 1.886,1253 1.874,1254 0.963,1255 1.877,1256 1.444,1257 1.41,1258 1.644,1259 1.654,1260 0.835,1261 1.632,1262 1.428,1263 1.395,1264 1.563,1265 1.632,1266 0.825,1267 1.627,1268 1.185,1269 1.165,1270 1.513,1271 1.457,1272 0.78,1273 1.429,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.866,1290 10.412,1291 2.891,1292 5.914,1294 0.374,1300 46.594,1301 112.148,1302 273.262,1303 360.968,1304 413.723,1305 430.842,1306 430.842,1307 89.815,1308 8.026,1309 114.55,1310 114.55,1311 23,1312 12.544,1313 4.392,1314 3.644,1315 70.774,1316 243,1317 263,1318 0.137,1319 286.722,1320 510.63,1321 691.362,1322 41503,1324 27.288,1325 0.7,1326 0.572,1327 27.288,1328 22.311,1329 19.097,1330 0.455,1331 0.331,1332 13.723,1333 18.419,1334 13.505,1335 11.195,1336 19.097,1337 13.884,1338 16.221,1339 0.3,1340 0.182,1341 16.221,1342 9.855,1343 12.978,1344 0.194,1345 0.102,1346 12.978,1347 6.858,1348 10.358,1349 0.126,1350 0.058,1351 10.358,1352 4.741,1353 8.01,1354 0.083,1355 0.033,1356 8.01,1357 3.247,1358 0.226,1359 119.495,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 574.715,1365 211.001,1366 544.77,1367 730.62,1368 510,1369 217,1370 519.832,1371 234.594,1372 521.494,1373 756.31,1374 492,1375 7.377} {0 CHEMBL347379,1 1.544,2 8.5,3 1.9,4 3.609,5 69.299,6 8.182,7 0.8,8 3.5,9 3.605,10 3.155,11 3.082,12 4.728,13 3.084,14 3.926,15 4.066,16 3.468,17 3.439,18 5.157,19 3.421,20 4.1,21 4.286,22 3.344,23 3.488,24 5.203,25 3.417,26 4.051,27 4.271,28 3.136,29 3.345,30 5.077,31 3.245,32 3.904,33 4.131,34 3.016,35 3.177,36 4.935,37 3.089,38 3.763,39 3.974,40 2.898,41 3.05,42 4.826,43 2.967,44 3.681,45 3.932,46 2.762,47 2.907,48 4.663,49 2.814,50 3.413,51 3.633,52 2.598,53 2.649,54 4.515,55 2.591,56 0.033,57 0.429,58 4.801,59 2.308,60 6.824,61 2.693,62 0.136,63 0.672,64 8.01,65 3.451,66 12.47,67 4.207,68 0.114,69 0.742,70 11.126,71 4.699,72 16.588,73 5.939,74 0.114,75 0.678,76 11.768,77 4.813,78 18.708,79 6.352,80 0.106,81 0.58,82 10.49,83 4.148,84 16.015,85 5.506,86 0.099,87 0.511,88 8.716,89 3.46,90 15.963,91 4.458,92 0.11,93 0.485,94 8.651,95 3.159,96 12.477,97 4.359,98 0.071,99 0.365,100 6.232,101 2.259,102 11.082,103 2.943,104 2,105 27,106 0.29,107 0.609,108 0.838,109 0.913,110 0.913,111 0.913,112 2.96,113 0.835,114 -3.44,115 -3.42,116 -3.27,118 48.3,133 1,135 1,140 5,141 2,143 1,144 1,145 1,149 1,156 1,168 7,171 1,172 4,175 1,177 1,180 8,186 4,191 1,194 7,198 4,203 2,206 4,210 4,215 2,218 2,222 3,227 1,233 1,234 3,239 1,247 1,258 1,259 1,262 1,270 346,271 12.378,272 12.378,273 12.378,274 12.378,275 12.378,276 10.36,277 6.9,278 7.448,279 12.67,280 9.904,281 9.904,282 9.904,283 9.904,284 9.904,285 6.906,286 3.663,287 3.594,288 10.381,289 3.314,290 1.615,291 0.4,295 3.642,299 1,300 1,301 335,302 2.121,305 47.408,306 85.693,310 73.093,313 1.5,314 10.653,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38.5,326 153,327 4.441,328 2.989,329 6.211,330 3.94,331 2.96,332 4.376,334 9.336,335 2.905,336 3.989,337 2.668,338 5.404,339 3.494,340 2.566,341 3.564,343 7.137,344 2.397,345 3.742,346 2.476,347 5.228,348 3.293,349 2.339,350 3.223,352 6.648,353 2.217,354 3.409,355 2.123,356 4.915,357 2.957,358 2.005,359 2.745,361 5.646,362 1.894,363 3.118,364 1.618,365 4.41,366 2.603,367 1.618,368 2.427,370 4.372,371 1.592,372 2.8,373 1.362,374 3.528,375 2.228,376 1.293,377 1.865,379 2.795,380 1.206,381 2.279,382 0.77,383 3.281,384 1.739,385 0.76,386 1.13,388 1.789,389 0.743,390 2.146,391 0.618,392 3.01,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 2.118,400 0.56,401 3,402 1.493,403 0.527,404 0.827,406 1.241,407 0.508,408 1.283,409 0.093,410 2.45,411 0.812,412 -0.126,413 -0.169,415 -0.294,416 -0.116,417 0.882,418 -0.523,419 2.299,420 0.368,421 -0.618,422 -0.863,424 -1.818,425 -0.607,426 0.583,427 -0.618,428 2.262,429 0.213,430 -0.716,431 -0.927,433 -1.893,434 -0.661,435 0.286,436 -0.96,437 1.896,438 -0.148,439 -1.102,440 -1.479,442 -2.674,443 -1.033,444 0.156,445 -1.149,446 1.419,447 -0.272,448 -1.225,449 -1.742,451 -3.469,452 -1.18,453 -0.118,454 -1.507,455 1.106,456 -0.6,457 -1.546,458 -2.196,460 -3.873,461 -1.447,462 8.533,463 0.474,464 0.362,465 0.02,466 28,467 1.556,468 16,469 0.889,470 12,471 0.667,472 8.734,473 0.485,474 17.867,475 0.616,476 16.78,477 0.932,478 5.724,479 0.318,480 3.086,481 0.171,482 0.039,484 0.281,487 0.961,488 1.264,489 0.715,490 0.942,491 0.967,492 0.822,493 0.769,494 0.981,495 0.882,496 0.903,497 0.564,498 0.897,499 0.928,500 1.015,501 1.096,502 1.086,503 0.871,504 1.108,505 0.826,506 0.987,507 1.045,508 1.099,509 0.884,510 1.107,511 0.872,512 0.949,513 0.942,514 1.003,515 0.821,516 0.99,517 1.042,518 1.099,519 1.071,520 1.09,521 1.118,522 1.095,523 0.688,524 0.875,525 0.922,526 0.924,527 0.576,528 0.943,529 1.132,530 1.209,531 0.997,532 1.05,533 1.028,534 1.01,535 3.5,536 0.038,537 1.556,538 0.597,539 0.992,540 0.177,541 0.211,542 0.161,543 0.061,544 0.061,545 3159,546 9216,547 2.154,548 37.9,550 6,551 2,552 2,553 1,558 1.58,559 2.077,560 3.095,561 -0.28,563 1,564 1,565 1,567 44.77,568 1.544,569 3.243,570 4.458,571 4.858,572 4.858,573 4.858,574 2.585,575 3.725,576 4.142,577 3.224,578 493.266,579 6.996,580 4673.55,581 1,582 1,584 1,585 140.881,586 1.135,587 4.128,588 0.175,589 0.009,590 0.058,591 0.026,592 0.055,593 0.011,594 0.015,595 0.013,596 0.006,597 0.009,598 0.377,599 0.83,600 1,601 0.463,602 77.176,603 -0.104,604 -0.218,605 0.031,606 -0.034,607 -0.169,608 0.004,609 0.064,610 0.106,611 -0.091,612 -0.011,613 0.091,614 -0.062,615 -0.138,616 -0.045,617 -0.201,618 -0.124,619 -0.094,620 -0.159,621 -0.048,622 -0.079,623 -0.066,624 -0.094,625 -0.065,626 -0.084,627 -0.025,628 -0.046,629 0.068,630 0.006,631 0.056,632 0.045,633 -0.112,634 -0.175,635 -0.091,636 -0.104,637 -0.15,638 -0.101,639 0.074,640 0.085,641 0.115,642 0.058,643 0.067,644 0.088,645 -0.1,646 -0.243,647 0.017,648 -0.095,649 -0.019,650 -0.037,651 1.621,652 3.293,653 0.833,654 12.914,655 1.006,656 1.116,657 2.213,658 4.896,659 0.707,660 3.045,661 3.332,662 3.555,663 3.784,664 3.951,665 3.932,666 4.007,667 4.094,668 4.143,669 4.007,670 5.09,671 0.686,672 237.28,673 3.045,674 4.554,675 5.38,676 6.232,677 7.074,678 7.929,679 8.778,680 9.634,681 10.486,682 11.343,683 10.3,691 1,693 2,698 2,699 8,700 2,704 2,705 1,706 16,721 1,724 29,726 17,727 1,728 20,730 31,731 14,733 12,734 3,735 3,736 2,739 3,740 4,753 14,756 1,763 2,769 1,772 11,773 3,774 1,775 4,778 1,779 3,784 0.667,785 1,795 1,801 1,802 2,806 1,822 1,832 2,840 18,845 1,862 3.4,864 1,869 8.667,870 5.133,871 3.944,872 1.574,874 3.611,875 1.559,876 0.992,877 2.729,878 10.068,879 3.401,880 4.039,881 4.665,882 5.271,883 5.796,884 6.122,885 6.54,886 6.993,887 7.4,888 7.521,889 0.833,890 23,891 6.57,893 2.748,894 7.759,895 12.44,897 9.961,899 2.259,900 40.667,901 0.001,904 117.711,905 100.521,906 35.47,908 42.683,911 100.521,912 160.394,913 35.47,915 9.047,916 65.905,917 108.415,918 18.849,919 23.542,920 70.627,922 117.711,923 135.991,924 42.683,927 117.711,928 42.683,931 21.709,932 71.235,933 43.047,935 117.711,936 78.153,937 100.521,940 117.711,941 7.903,942 94.517,944 76.254,945 117.711,946 78.153,947 100.521,949 0.575,950 0.324,951 0.173,952 0.089,953 14,954 5,955 0.065,956 2,957 1,958 1.133,959 3.212,960 125.86,961 0.133,962 15,963 75.059,968 10.842,969 4.531,970 2.378,971 1.787,972 76.254,973 14.656,974 8.011,978 1.118,979 1.874,980 42.683,981 296.386,982 29,989 3.927,994 29.167,995 32.365,996 0.318,997 0.668,998 0.918,999 1,1000 1,1001 1,1002 4.585,1003 0.618,1004 5.333,1005 1.789,1006 4.007,1007 4.723,1009 6.066,1010 3.923,1011 5.799,1012 0.527,1013 6.836,1014 1.372,1015 3.434,1016 4.407,1018 6.763,1019 3.299,1020 7.092,1021 -0.126,1022 8.433,1023 1.241,1024 5.525,1025 6.982,1027 9.817,1028 5.371,1029 8.423,1030 -0.618,1031 10.084,1032 -0.294,1033 5.771,1034 7.543,1036 11.34,1037 5.573,1038 9.784,1039 -0.716,1040 11.771,1041 -1.818,1042 7.29,1043 9.501,1045 13.879,1046 7.079,1047 11.166,1048 -1.102,1049 13.482,1050 -1.893,1051 7.933,1052 10.502,1054 15.773,1055 7.691,1056 12.564,1057 -1.225,1058 15.211,1059 -2.674,1060 9.201,1061 12.189,1063 18.124,1064 8.948,1065 2.96,1066 -1.546,1067 16.955,1068 -3.469,1069 10.05,1070 13.421,1072 20.195,1073 9.776,1074 2.566,1075 9.336,1076 18.71,1077 -3.873,1078 11.205,1079 14.985,1081 22.473,1082 10.92,1083 2.339,1084 7.137,1085 20.474,1086 4.376,1087 12.162,1088 16.337,1090 24.629,1091 11.862,1092 2.005,1093 6.648,1094 22.247,1095 3.564,1096 13.267,1097 17.847,1099 26.879,1100 12.956,1101 1.618,1102 5.646,1103 24.028,1104 3.223,1105 14.28,1106 19.259,1108 29.075,1109 13.956,1110 1.293,1111 4.372,1112 25.814,1113 2.745,1114 15.365,1115 20.746,1117 31.314,1118 15.029,1119 0.76,1120 2.795,1121 27.606,1122 2.427,1123 16.408,1124 22.189,1126 33.529,1127 16.06,1128 3016,1129 5239,1130 13.811,1131 20.517,1132 29.982,1133 29.295,1134 29.372,1135 29.414,1136 29.371,1137 42.17,1139 80.673,1140 28.077,1141 5.059,1142 4.989,1143 5.841,1144 4.982,1145 4.96,1146 7.376,1148 15.76,1149 4.905,1150 5.195,1151 1.499,1152 1.465,1153 1.469,1154 1.471,1155 1.469,1156 2.108,1158 4.034,1159 1.404,1160 4.08,1161 4.108,1162 4.041,1163 4.011,1164 6.476,1165 4.014,1166 3.9,1167 3.962,1168 3.85,1169 3.703,1170 4.994,1171 3.732,1172 3.519,1173 3.553,1174 3.451,1175 3.41,1176 4.896,1177 3.415,1178 3.157,1179 3.21,1180 3.047,1181 3.046,1182 4.359,1183 3.039,1184 2.983,1185 3.029,1186 2.89,1187 2.813,1188 4.016,1189 2.825,1190 2.623,1191 2.674,1192 2.519,1193 2.465,1194 3.88,1195 2.467,1196 2.496,1197 2.581,1198 2.308,1199 2.288,1200 3.379,1201 2.275,1202 2.47,1203 2.565,1204 2.262,1205 2.227,1206 3.363,1207 2.237,1208 0.222,1209 0.149,1210 0.311,1211 0.197,1212 0.148,1213 4.441,1214 0.219,1215 2.989,1217 6.211,1218 0.467,1219 3.94,1220 0.145,1221 2.96,1222 4.376,1224 9.336,1225 2.905,1226 2.041,1227 2.019,1228 2.114,1229 2.123,1230 1.228,1231 2.121,1232 1.643,1233 1.596,1234 1.769,1235 1.831,1236 0.824,1237 1.814,1238 1.406,1239 1.362,1240 1.566,1241 1.57,1242 0.611,1243 1.569,1244 1.292,1245 1.226,1246 1.465,1247 1.523,1248 0.414,1249 1.509,1250 1.037,1251 0.98,1252 1.248,1253 1.207,1254 0.261,1255 1.229,1256 0.889,1257 0.845,1258 1.108,1259 1.125,1260 0.134,1261 1.117,1262 0.525,1263 0.466,1264 0.796,1265 0.797,1267 0.808,1268 0.436,1269 0.363,1270 0.784,1271 0.727,1273 0.75,1274 3.714,1276 5.004,1277 2.398,1278 6.482,1279 4.443,1280 8.05,1281 6.26,1282 9.668,1289 9.293,1300 19.886,1301 44.77,1302 94.053,1303 129.272,1304 140.881,1305 140.881,1306 140.881,1307 17.718,1308 6.457,1309 50.94,1310 50.94,1311 17,1312 11.896,1313 4.17,1314 3.322,1315 25.938,1316 55,1317 46,1318 0.235,1319 123.843,1320 201.65,1321 293.937,1322 4895,1324 12.372,1325 0.687,1326 0.531,1327 12.372,1328 9.562,1329 8.81,1330 0.44,1331 0.278,1332 5.492,1333 8.499,1334 5.388,1335 4.489,1336 8.81,1337 5.566,1338 7.845,1339 0.291,1340 0.146,1341 7.845,1342 3.947,1343 6.442,1344 0.189,1345 0.078,1346 6.442,1347 2.663,1348 5.254,1349 0.122,1350 0.041,1351 5.254,1352 1.767,1353 4.053,1354 0.079,1355 0.022,1356 4.053,1357 1.13,1358 0.369,1359 54.956,1360 0.269,1361 18.343,1362 0.642,1363 94,1364 273.085,1365 101.793,1366 271.547,1367 375.32,1368 254,1369 108,1370 282.129,1371 115.684,1372 288.752,1373 414.75,1374 271,1375 6.42} {0 CHEMBL348968,1 1.466,2 12,3 3.391,4 11.5,5 115.321,6 7.126,7 0.364,8 4.177,9 4.277,10 3.684,11 3.663,12 5.297,13 3.649,14 4.728,15 4.875,16 4.047,17 4.031,18 5.864,19 4.002,20 5.037,21 5.212,22 4.135,23 4.184,24 6.113,25 4.129,26 5.159,27 5.382,28 4.061,29 4.21,30 6.109,31 4.136,32 5.066,33 5.256,34 4.123,35 4.286,36 6.045,37 4.201,38 5.268,39 5.508,40 4.119,41 4.335,42 6.231,43 4.221,44 5.193,45 5.434,46 3.998,47 4.268,48 6.096,49 4.144,50 5.11,51 5.372,52 3.893,53 4.174,54 6.008,55 4.047,56 0.079,57 0.777,58 13.153,59 6.081,60 17.949,61 7.521,62 0.431,63 1.232,64 24.815,65 9.729,66 59.401,67 12.488,68 0.806,69 1.544,70 35.746,71 12.54,72 83.718,73 16.282,74 0.938,75 1.652,76 42.528,77 13.548,78 97.568,79 17.989,80 0.384,81 1.691,82 35.532,83 13.823,84 60.143,85 18.423,86 0.941,87 1.926,88 46.571,89 15.709,90 111.581,91 21.925,92 0.715,93 1.791,94 42.997,95 14.842,96 85.928,97 20.595,98 0.636,99 1.657,100 39.945,101 13.366,102 82.011,103 19.037,104 32,105 45,106 0.239,107 0.591,108 0.794,109 0.873,110 0.889,111 0.894,112 3.472,113 0.943,114 -3.3,115 -3.29,116 -3.15,118 40,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 9,175 1,177 2,180 9,181 1,185 2,186 11,189 1,191 3,194 6,195 1,197 1,198 7,203 2,206 7,207 1,210 9,215 3,218 12,219 1,221 1,222 11,225 2,227 1,229 9,230 1,233 1,234 10,239 1,242 9,247 2,248 2,252 2,255 10,256 1,258 2,259 4,262 2,264 3,267 11,268 1,270 1872,271 20.559,272 20.559,273 20.559,274 20.559,275 20.559,276 18.562,277 21.509,278 12.464,279 20.867,280 16.315,281 16.315,282 16.315,283 16.315,284 16.315,285 13.53,286 25.748,287 5.961,288 16.87,289 4.441,290 2.283,291 1.042,292 0.558,293 0.458,294 0.425,295 4.152,299 1,300 1,301 773,302 4.243,306 335.228,313 2.065,314 39.336,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 68.5,326 372,327 4.445,328 3.807,329 7.318,330 4.365,331 3.413,332 3.806,333 2.341,334 12.563,335 3.244,336 4.165,337 3.597,338 6.501,339 3.957,340 2.989,341 3.588,342 1.465,343 10.195,344 2.891,345 4.05,346 3.344,347 6.012,348 3.677,349 2.72,350 3.312,351 0.86,352 8.473,353 2.592,354 3.566,355 2.986,356 5.25,357 3.256,358 2.265,359 2.732,360 0.811,361 6.409,362 2.237,363 3.511,364 2.495,365 4.865,366 3.217,367 2.222,368 2.674,370 5.186,371 2.192,372 3.119,373 2.283,374 4.659,375 2.728,376 1.759,377 2.204,379 5.101,380 1.695,381 2.906,382 1.961,383 4.17,384 2.555,385 1.595,386 2.069,388 3.74,389 1.529,390 2.856,391 1.863,392 4.092,393 2.444,394 1.475,395 1.977,397 3.582,398 1.422,399 2.825,400 1.708,401 3.637,402 2.395,403 1.414,404 1.91,406 3.136,407 1.383,408 2.584,409 1.485,410 3.6,411 2.35,412 1.381,413 1.579,415 2.965,416 1.328,417 2.5,418 1.399,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.169,427 1.216,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.235,438 1.772,439 0.779,440 0.832,442 1.67,443 0.768,444 1.378,445 0.741,446 3.007,447 1.072,448 0.157,449 0.183,451 0.374,452 0.141,453 1.262,454 0.5,455 2.685,456 1.006,457 0.048,458 0.055,460 0.111,461 0.045,462 14.4,463 0.465,464 0.807,465 0.026,466 34.75,467 1.121,468 15.5,469 0.5,470 19.25,471 0.621,472 31.392,473 1.013,474 35.4,475 0.59,476 28.098,477 0.906,478 6.903,479 0.223,480 7.962,481 0.257,482 0.139,483 0.035,484 0.243,487 0.875,488 1.278,489 0.845,490 1.204,491 0.849,492 1.048,493 0.911,494 1.181,495 0.911,496 1.153,497 0.57,498 1.049,499 1.159,500 1.148,501 1.096,502 1.148,503 0.906,504 1.117,505 1.418,506 0.761,507 1.066,508 0.771,509 0.897,510 0.834,511 0.889,512 1.272,513 1.053,514 1.264,515 0.643,516 1.207,517 0.882,518 0.948,519 0.984,520 0.964,521 0.746,522 0.989,523 0.951,524 1.01,525 1.028,526 1.01,527 0.702,528 1.035,529 0.868,530 0.86,531 0.93,532 0.864,533 0.811,534 0.896,535 6.5,536 0.182,537 3.778,538 2,539 1.747,540 1.271,541 0.628,542 0.483,543 0.435,544 0.24,545 12283,546 36213,547 2.004,548 48.3,549 4,550 11,551 1,552 2,553 2,554 2,555 6,556 1,558 1.741,559 1.869,560 3.522,561 0.193,563 1,567 87.983,568 1.466,569 3.624,570 4.865,571 5.348,572 5.448,573 5.482,574 3.112,575 4.503,576 4.916,577 3.742,578 1740.19,579 8.618,580 25165.8,582 1,585 354.413,586 1.525,587 4.873,588 0.197,589 0.006,590 0.084,591 0.043,592 0.04,593 0.027,594 0.014,595 0.012,596 0.012,597 0.007,598 0.442,599 0.33,600 1,601 1.543,602 161.578,603 -0.065,604 -0.075,605 0.03,606 -0.033,607 -0.106,608 0.01,609 0.081,610 -0.078,611 0.031,612 -0.079,613 0.132,614 -0.04,615 0.019,616 -0.134,617 -0.103,618 -0.136,619 -0.032,620 -0.144,621 -0.197,622 0.183,623 -0.036,624 0.18,625 -0.096,626 0.117,627 -0.068,628 -0.223,629 -0.124,630 -0.212,631 -0.011,632 -0.186,633 0.028,634 0.024,635 -0.004,636 0.005,637 0.004,638 -0.004,639 -0.07,640 -0.045,641 -0.056,642 -0.03,643 -0.057,644 -0.041,645 -0.067,646 0.108,647 0.041,648 0.094,649 -0.066,650 0.095,651 2.475,652 4.06,653 0.581,654 36.747,655 1.007,656 1.126,657 2.07,658 4.284,659 0.64,660 3.526,661 3.829,662 4.025,663 4.234,664 4.477,665 4.511,666 4.615,667 4.7,668 4.779,669 4.796,670 7.223,671 0.611,672 427.54,673 3.526,674 5.056,675 5.878,676 6.744,677 7.593,678 8.469,679 9.332,680 10.215,681 11.087,682 11.973,683 1.7,693 1,699 8,700 1,704 3,706 12,721 1,722 1,724 60,726 14,727 1,728 33,730 62,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,772 29,773 7,774 2,775 7,779 1,784 1,785 6,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,840 31,845 2,846 4,848 3,850 3,852 1,862 10,864 2,865 1,866 2,867 1,869 16.583,870 10.85,871 6.875,872 3.49,874 1.854,875 1.255,876 0.889,877 8.074,878 9.124,879 3.738,880 4.22,881 4.6,882 5.024,883 5.478,884 5.405,885 5.62,886 5.878,887 6.06,888 6.242,889 1,890 46,891 11.522,893 4.876,894 7.901,895 21.718,897 17.578,899 2.401,900 74.417,903 1,904 317.82,905 133.45,906 16.786,908 143.511,911 133.45,912 461.331,913 16.786,914 17.65,915 12.196,916 76.17,917 173.749,918 37.524,919 11.771,920 282.506,922 317.82,923 150.235,924 143.511,927 235.422,928 203.909,929 22,930 0.36,931 47.941,932 66.196,933 35.738,935 317.82,936 160.297,937 133.45,940 318.179,941 21.535,942 111.555,944 160.297,945 317.82,946 160.297,947 133.45,949 0.575,950 0.316,951 0.162,952 0.092,953 19,954 9,955 0.145,956 9,958 1,959 4.166,960 267.849,962 18,963 151.58,968 23.265,969 10.759,970 6.536,972 160.297,973 14.124,974 4.222,978 1.36,980 85.367,981 611.566,982 41,987 10.675,989 3.861,991 -0.809,994 60.436,995 67.568,996 0.248,997 0.614,998 0.824,999 0.905,1000 0.922,1001 0.928,1002 4.977,1003 1.475,1004 5.878,1005 3.74,1006 4.511,1007 4.905,1008 2.812,1009 6.696,1010 4.438,1011 6.152,1012 1.414,1013 7.448,1014 3.582,1015 4.205,1016 4.559,1017 2.243,1018 7.874,1019 4.087,1020 7.439,1021 1.381,1022 9.142,1023 3.136,1024 6.146,1025 6.896,1026 3.888,1027 10.913,1028 5.993,1029 8.757,1030 1,1031 10.914,1032 2.965,1033 6.686,1034 7.303,1035 4.112,1036 12.954,1037 6.473,1038 10.109,1039 1,1040 12.74,1041 2.476,1042 8.139,1043 9.173,1044 5.312,1045 15.6,1046 7.891,1047 11.484,1048 0.779,1049 14.602,1050 2.136,1051 9.054,1052 9.944,1053 5.889,1054 17.941,1055 8.744,1056 12.878,1057 0.157,1058 16.491,1059 1.67,1060 10.333,1061 11.596,1062 6.893,1063 20.483,1064 9.982,1065 3.413,1066 0.048,1067 18.399,1068 0.374,1069 11.412,1070 12.57,1071 7.625,1072 22.932,1073 11,1074 2.989,1075 12.563,1076 20.322,1077 0.111,1078 12.631,1079 14.099,1080 8.544,1081 25.451,1082 12.175,1083 2.72,1084 10.195,1085 22.256,1086 3.806,1087 13.782,1088 15.194,1089 9.342,1090 27.942,1091 13.268,1092 2.265,1093 8.473,1094 24.198,1095 3.588,1096 14.986,1097 16.648,1098 10.223,1099 30.459,1100 14.423,1101 2.222,1102 6.409,1103 26.148,1104 3.312,1105 16.169,1106 17.82,1107 11.051,1108 32.969,1109 15.551,1110 1.759,1111 5.186,1112 28.104,1113 2.732,1114 17.373,1115 19.226,1116 11.915,1117 35.488,1118 16.705,1119 1.595,1120 5.101,1121 30.064,1122 2.674,1123 18.572,1124 20.449,1125 12.755,1126 38.007,1127 17.85,1128 12177,1129 20996,1130 21.553,1131 38.392,1132 49.24,1133 49.858,1134 49.781,1135 48.423,1136 48.433,1137 59.112,1138 10.954,1139 136.236,1140 46.657,1141 5.445,1142 5.807,1143 7.12,1144 5.439,1145 5.413,1146 6.806,1147 3.925,1148 20.036,1149 5.244,1150 16.638,1151 1.492,1152 1.511,1153 1.509,1154 1.467,1155 1.468,1156 1.791,1157 0.332,1158 4.128,1159 1.414,1160 3.986,1161 4.011,1162 3.918,1163 3.865,1164 7.474,1165 3.872,1166 3.888,1167 3.91,1168 3.83,1169 3.8,1170 6.47,1171 3.803,1172 3.759,1173 3.803,1174 3.662,1175 3.645,1176 6.351,1177 3.64,1178 3.695,1179 3.729,1180 3.593,1181 3.534,1182 4.941,1183 3.541,1184 3.553,1185 3.6,1186 3.432,1187 3.399,1188 4.818,1189 3.396,1190 3.324,1191 3.353,1192 3.213,1193 3.111,1194 4.674,1195 3.129,1196 2.968,1197 3.016,1198 2.838,1199 2.795,1200 4.387,1201 2.791,1202 2.955,1203 3.009,1204 2.827,1205 2.747,1206 4.314,1207 2.758,1208 0.135,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.445,1214 0.115,1215 3.807,1216 0.071,1217 7.318,1218 0.381,1219 4.365,1220 0.098,1221 3.413,1222 3.806,1223 2.341,1224 12.563,1225 3.244,1226 1.909,1227 1.882,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.866,1233 1.845,1234 1.981,1235 1.98,1236 1.148,1237 1.979,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.109,1243 1.906,1244 1.659,1245 1.62,1246 1.871,1247 1.843,1248 1.006,1249 1.85,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.505,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.842,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.205,1276 5.509,1278 7.008,1280 8.597,1282 10.237,1284 3.715,1289 18.832,1290 1.735,1292 18.439,1294 -0.879,1296 -0.86,1300 36.685,1301 87.983,1302 217.443,1303 291.884,1304 320.904,1305 326.904,1306 328.904,1307 80.058,1308 7.27,1309 98.11,1310 98.11,1311 18,1312 12.508,1313 3.907,1314 3.17,1315 57.976,1316 128,1317 158,1318 0.213,1319 226.159,1320 407.5,1321 543.588,1322 13176,1324 22.269,1325 0.718,1326 0.574,1327 22.269,1328 17.809,1329 14.865,1330 0.45,1331 0.314,1332 10.216,1333 14.225,1334 9.941,1335 8.243,1336 14.865,1337 10.374,1338 13.578,1339 0.302,1340 0.18,1341 13.578,1342 8.081,1343 10.342,1344 0.188,1345 0.093,1346 10.342,1347 5.109,1348 8.151,1349 0.12,1350 0.052,1351 8.151,1352 3.504,1353 6.739,1354 0.077,1355 0.028,1356 6.739,1357 2.426,1358 0.335,1359 93.909,1360 0.215,1361 29.256,1362 0.588,1363 156,1364 500.887,1365 176.763,1366 465.467,1367 615.47,1368 434,1369 178,1370 432.082,1371 198.767,1372 430.63,1373 627.65,1374 403,1375 7.495} {0 CHEMBL349150,1 1.562,2 18.8,3 8.317,4 69.174,5 204.847,6 7.752,7 0.5,8 4.598,9 4.712,10 4.235,11 4.211,12 5.64,13 4.16,14 5.157,15 5.331,16 4.632,17 4.624,18 6.148,19 4.55,20 5.415,21 5.616,22 4.77,23 4.814,24 6.355,25 4.714,26 5.502,27 5.701,28 4.857,29 4.901,30 6.456,31 4.785,32 5.545,33 5.74,34 4.81,35 4.955,36 6.464,37 4.829,38 5.653,39 5.867,40 4.886,41 5.017,42 6.542,43 4.867,44 5.683,45 5.93,46 4.703,47 4.941,48 6.515,49 4.772,50 5.587,51 5.856,52 4.498,53 4.767,54 6.395,55 4.597,56 0.054,57 1.307,58 18.285,59 8.623,60 13.474,61 11.182,62 0.382,63 2.215,64 37.572,65 14.826,66 39.171,67 19.562,68 0.48,69 2.792,70 54.545,71 19.995,72 53.43,73 25.914,74 0.522,75 3.057,76 61.987,77 22.197,78 64.087,79 28.792,80 0.46,81 3.174,82 64.789,83 24.495,84 60.14,85 30.987,86 0.499,87 3.431,88 74.459,89 27.282,90 65.374,91 35.579,92 0.604,93 3.455,94 78.668,95 27.823,96 73.644,97 37.368,98 0.577,99 3.064,100 71.918,101 24.687,102 69.173,103 34.023,104 34,105 79,106 0.229,107 0.562,108 0.78,109 0.868,110 0.888,111 0.888,112 3.934,113 0.995,114 -7.72,115 -7.49,116 -6.91,118 44,119 3,120 5,124 4,126 1,133 1,134 1,140 10,141 6,142 1,143 2,150 1,151 1,153 1,154 1,157 2,162 1,168 21,171 3,172 14,180 27,185 2,186 14,194 24,197 1,198 20,206 29,209 1,210 12,218 31,221 1,222 14,229 33,233 2,234 14,242 20,247 18,255 14,258 1,259 16,267 12,270 5988,271 34.421,272 34.421,273 34.421,274 34.421,275 34.421,276 30.514,277 36.395,278 20.501,279 35.285,280 27.662,281 27.662,282 27.662,283 27.662,284 27.662,285 21.664,286 47.067,287 9.705,288 29.041,289 4.946,290 2.667,291 1.176,292 0.574,293 0.442,294 0.442,295 4.653,297 1,301 2080,302 4.637,305 193.757,306 586.757,307 143.571,309 163.188,310 403.779,313 2.896,314 35.673,317 0.5,318 0.33,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.49,325 105.333,326 940,327 4.777,328 3.681,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.38,337 3.625,338 6.687,339 4.015,340 3.021,341 4.001,342 0.995,343 10.738,344 3.012,345 4.361,346 3.244,347 6.5,348 3.958,349 3.011,350 3.969,351 0.795,352 10.18,353 2.833,354 4.232,355 3.207,356 6.359,357 3.834,358 2.891,359 3.837,360 0.359,361 9.645,362 2.713,363 3.933,364 3.044,365 5.771,366 3.581,367 2.613,368 3.477,369 0.286,370 7.891,371 2.539,372 3.663,373 2.894,374 5.632,375 3.35,376 2.372,377 2.983,379 7.345,380 2.297,381 3.655,382 2.737,383 5.487,384 3.296,385 2.344,386 2.93,388 6.988,389 2.227,390 3.59,391 2.543,392 5.232,393 3.263,394 2.322,395 2.825,397 6.342,398 2.169,399 3.471,400 2.287,401 5.029,402 3.084,403 2.111,404 2.68,406 6.066,407 2.045,408 3.208,409 2.126,410 4.977,411 2.845,412 1.908,413 2.379,415 5.625,416 1.781,417 3.111,418 2.016,419 4.942,420 2.71,421 1.777,422 2.279,424 5.291,425 1.678,426 2.968,427 1.925,428 4.632,429 2.67,430 1.695,431 2.083,433 4.488,434 1.607,435 2.87,436 1.863,437 4.184,438 2.477,439 1.54,440 2.023,442 3.853,443 1.433,444 2.836,445 1.816,446 4.15,447 2.443,448 1.473,449 1.935,451 3.378,452 1.418,453 2.761,454 1.639,455 3.908,456 2.35,457 1.414,458 1.799,460 3.186,461 1.258,462 24.614,463 0.492,464 1.11,465 0.022,466 62.5,467 1.25,468 30.5,469 0.61,470 32,471 0.64,472 58.899,473 1.178,474 52.186,475 0.573,476 53.337,477 1.067,478 11.805,479 0.236,480 12.602,481 0.252,482 0.104,484 0.337,487 0.678,488 1.219,489 0.689,490 0.977,491 0.587,492 0.932,493 0.831,494 1.047,495 0.752,496 0.874,497 0.593,498 0.869,499 1.088,500 0.983,501 0.938,502 0.9,503 0.919,504 0.882,505 0.988,506 1.08,507 1.038,508 1.042,509 1.048,510 0.986,511 0.974,512 1.088,513 1.172,514 1.143,515 1.06,516 1.064,517 0.793,518 1.116,519 1.061,520 1.125,521 0.774,522 1.13,523 0.789,524 1.056,525 1.141,526 1.111,527 0.718,528 1.11,529 0.751,530 1,531 1.001,532 1.021,533 0.652,534 1.024,535 8,536 0.316,537 5.333,538 3.917,539 2.844,540 2.011,541 1.405,542 0.856,543 0.655,544 0.416,545 52848,546 133675,547 2.142,548 45.1,549 6,550 20,552 2,554 5,555 8,558 1.85,559 2.027,560 4.061,561 -0.796,567 142.163,568 1.562,569 3.841,570 5.332,571 5.933,572 6.065,573 6.065,574 3.565,575 5.404,576 5.611,577 4.342,578 5318.73,579 9.974,580 111644,585 592.209,586 1.33,587 5.586,588 0.143,589 0.005,590 0.068,591 0.045,592 0.031,593 0.022,594 0.016,595 0.011,596 0.01,597 0.007,598 0.357,599 0.17,600 0.5,601 1.348,602 304.113,603 0.054,604 -0.102,605 0.062,606 -0.019,607 0.016,608 0.007,609 0.11,610 0.039,611 0.101,612 0.087,613 0.106,614 0.076,615 -0.07,616 0.074,617 0.043,618 0.106,619 -0.04,620 0.083,621 -0.039,622 -0.021,623 0.015,624 0.01,625 -0.049,626 -0.006,627 -0.114,628 -0.034,629 -0.13,630 -0.063,631 -0.133,632 -0.072,633 -0.022,634 -0.103,635 -0.034,636 -0.091,637 -0.063,638 -0.128,639 -0.007,640 -0.076,641 -0.083,642 -0.102,643 -0.039,644 -0.1,645 0.035,646 -0.046,647 -0.004,648 -0.05,649 0.026,650 -0.012,651 1.788,652 4.749,653 0.7,654 78.35,655 0.995,656 1.118,657 6.494,658 42.167,659 0.694,660 4.043,661 4.382,662 4.71,663 5.043,664 5.323,665 5.533,666 5.784,667 6.019,668 6.198,669 6.34,670 10.734,671 0.649,672 705.39,673 4.043,674 5.602,675 6.475,676 7.375,677 8.272,678 9.185,679 10.096,680 11.018,681 11.939,682 12.868,683 6.6,686 1,691 1,692 1,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,723 1,724 91,726 31,727 2,728 56,730 97,731 40,733 23,734 4,735 8,736 3,739 7,740 13,741 1,745 3,748 2,751 6,753 27,754 13,756 3,761 1,763 1,764 1,765 3,772 41,773 7,775 10,776 2,779 6,784 0.571,785 2,795 1,801 2,802 4,803 1,805 1,806 2,819 1,822 1,823 1,828 1,832 4,834 1,836 3,837 1,840 50,846 9,848 1,850 1,851 1,856 1,859 1,861 1,862 2.2,865 1,867 1,869 24.667,870 17.51,871 11,872 5.987,874 5.332,875 1.53,876 1.005,877 10.7,878 15.387,879 4.304,880 4.905,881 5.519,882 6.135,883 6.65,884 7.032,885 7.514,886 7.957,887 8.362,888 8.712,889 1,890 88,891 18.515,893 7.878,894 7.552,895 36.24,897 30.448,899 2.052,900 102.611,904 482.615,905 246.361,906 71.92,907 39.149,908 36.145,910 31.278,911 215.083,912 557.909,913 71.92,914 26.476,915 23.582,916 104.239,917 113.403,918 77.633,919 1.358,920 490.351,921 39.149,922 482.615,923 287.003,924 36.145,925 70.426,927 388.446,928 130.314,931 95.547,932 131.869,933 98.736,934 31.278,935 482.615,936 108.065,937 285.509,940 482.615,941 97.551,942 153.833,944 142.191,945 482.615,946 108.065,947 285.509,949 0.577,950 0.343,951 0.195,952 0.107,953 38,954 17,955 0.124,956 12,957 3,958 1.171,959 5.683,960 566.082,961 0.171,962 35,963 278.193,964 1,968 34.486,969 15.513,970 7.423,972 106.166,973 24.734,974 13.367,977 1.83,978 11.945,979 2.202,981 876.19,982 73,987 11.749,989 2.272,990 5.231,991 1.988,994 90.57,995 101.746,996 0.24,997 0.59,998 0.819,999 0.912,1000 0.932,1001 0.932,1002 5.557,1003 2.322,1004 6.46,1005 6.988,1006 5.069,1007 5.595,1008 2.664,1009 7.311,1010 4.976,1011 6.762,1012 2.111,1013 8.037,1014 6.342,1015 4.635,1016 5.352,1017 2.283,1018 8.296,1019 4.482,1020 8.074,1021 1.908,1022 9.719,1023 6.066,1024 6.688,1025 7.778,1026 3.888,1027 11.467,1028 6.511,1029 9.425,1030 1.777,1031 11.467,1032 5.625,1033 7.124,1034 8.414,1035 4.278,1036 13.344,1037 6.884,1038 10.812,1039 1.695,1040 13.258,1041 5.291,1042 8.621,1043 10.278,1044 5.493,1045 16.039,1046 8.357,1047 12.226,1048 1.54,1049 15.08,1050 4.488,1051 9.46,1052 11.331,1053 6.16,1054 18.281,1055 9.132,1056 13.661,1057 1.473,1058 16.924,1059 3.853,1060 10.747,1061 12.963,1062 7.209,1063 20.832,1064 10.388,1065 3.434,1066 1.414,1067 18.787,1068 3.378,1069 11.776,1070 14.223,1071 7.993,1072 23.227,1073 11.356,1074 3.021,1075 12.682,1076 20.664,1077 3.186,1078 12.988,1079 15.756,1080 8.963,1081 25.74,1082 12.528,1083 3.011,1084 10.738,1085 22.552,1086 4.517,1087 14.106,1088 17.121,1089 9.802,1090 28.202,1091 13.587,1092 2.891,1093 10.18,1094 24.45,1095 4.001,1096 15.298,1097 18.614,1098 10.734,1099 30.711,1100 14.732,1101 2.613,1102 9.645,1103 26.355,1104 3.969,1105 16.458,1106 20.033,1107 11.599,1108 33.205,1109 15.834,1110 2.372,1111 7.891,1112 28.268,1113 3.837,1114 17.649,1115 21.513,1116 12.512,1117 35.719,1118 16.974,1119 2.344,1120 7.345,1121 30.186,1122 3.477,1123 18.833,1124 22.961,1125 13.391,1126 38.23,1127 18.099,1128 49049,1129 78238,1130 38.085,1131 63.154,1132 85.265,1133 85.715,1134 87.183,1135 84.287,1136 84.059,1137 108.638,1138 9.755,1139 244.945,1140 79.992,1141 5.724,1142 5.681,1143 6.99,1144 5.542,1145 5.434,1146 7.517,1147 4.174,1148 20.396,1149 5.245,1150 23.442,1151 1.523,1152 1.531,1153 1.557,1154 1.505,1155 1.501,1156 1.94,1157 0.174,1158 4.374,1159 1.428,1160 4.137,1161 4.169,1162 4.33,1163 4.089,1164 7.432,1165 4.06,1166 3.998,1167 4.028,1168 3.999,1169 3.947,1170 5.1,1171 3.94,1172 3.874,1173 3.901,1174 3.952,1175 3.829,1176 4.945,1177 3.811,1178 3.845,1179 3.897,1180 3.82,1181 3.732,1182 4.917,1183 3.734,1184 3.772,1185 3.812,1186 3.744,1187 3.632,1188 4.725,1189 3.65,1190 3.742,1191 3.785,1192 3.626,1193 3.593,1194 4.615,1195 3.587,1196 3.549,1197 3.598,1198 3.461,1199 3.372,1200 4.468,1201 3.377,1202 3.45,1203 3.523,1204 3.388,1205 3.271,1206 4.392,1207 3.276,1208 0.085,1209 0.066,1210 0.128,1211 0.078,1212 0.061,1213 4.777,1214 0.081,1215 3.681,1216 0.044,1217 7.189,1218 0.226,1219 4.376,1220 0.058,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.99,1227 1.966,1228 2.094,1229 2.07,1230 1.337,1231 2.08,1232 1.922,1233 1.902,1234 2.009,1235 2.001,1236 1.315,1237 2.009,1238 1.832,1239 1.794,1240 1.978,1241 1.956,1242 1.177,1243 1.967,1244 1.75,1245 1.715,1246 1.93,1247 1.898,1248 1.103,1249 1.91,1250 1.721,1251 1.672,1252 1.887,1253 1.863,1254 1.04,1255 1.875,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.997,1261 1.846,1262 1.546,1263 1.499,1264 1.804,1265 1.744,1266 0.939,1267 1.763,1268 1.505,1269 1.453,1270 1.722,1271 1.725,1272 0.864,1273 1.732,1274 4.727,1276 6.061,1277 3.045,1278 7.587,1279 5.533,1280 9.205,1281 7.751,1282 10.877,1284 5.94,1285 6.786,1290 7.108,1292 5.077,1294 -0.148,1295 2.531,1300 59.055,1301 142.163,1302 349.523,1303 485.216,1304 539.945,1305 551.945,1306 551.945,1307 84.846,1308 10.054,1309 85.5,1310 113.74,1311 41,1312 13.373,1313 5,1314 4.17,1315 73.25,1316 328,1317 400,1318 0.108,1319 364.094,1320 634.6,1321 880.15,1322 430766,1323 1.1,1324 34.614,1325 0.692,1326 0.606,1327 35.467,1328 30.305,1329 24.406,1330 0.436,1331 0.332,1332 17.324,1333 23.009,1334 16.733,1335 13.831,1336 25.103,1337 18.581,1338 21.789,1339 0.276,1340 0.181,1341 22.775,1342 14.317,1343 18.846,1344 0.171,1345 0.099,1346 19.999,1347 10.897,1348 16.546,1349 0.107,1350 0.056,1351 17.956,1352 8.59,1353 13.69,1354 0.067,1355 0.031,1356 15.016,1357 6.373,1358 0.175,1359 158.11,1360 0.162,1361 43.254,1362 0.283,1363 270,1364 702.406,1365 329.722,1366 738.098,1367 1024.79,1368 696,1369 324,1370 736.074,1371 379.877,1372 771.441,1373 1141.5,1374 730,1375 7.143} {0 CHEMBL349160,1 1.59,2 10.32,3 2.981,4 8.885,5 97.466,6 7.815,7 0.407,8 3.922,9 4.013,10 3.568,11 3.498,12 5.021,13 3.454,14 4.469,15 4.601,16 3.897,17 3.872,18 5.611,19 3.796,20 4.715,21 4.905,22 3.88,23 3.934,24 5.663,25 3.838,26 4.785,27 4.999,28 3.844,29 3.924,30 5.756,31 3.833,32 4.706,33 4.906,34 3.824,35 3.98,36 5.636,37 3.858,38 4.772,39 5.005,40 3.811,41 4,42 5.654,43 3.852,44 4.696,45 4.92,46 3.742,47 3.927,48 5.608,49 3.768,50 4.582,51 4.814,52 3.575,53 3.762,54 5.529,55 3.615,56 0.048,57 0.607,58 9.618,59 4.859,60 11.552,61 5.625,62 0.388,63 0.997,64 19.703,65 8.222,66 47.812,67 9.53,68 0.338,69 1.218,70 29.321,71 10.574,72 47.6,73 12.704,74 0.541,75 1.24,76 29.404,77 10.464,78 60.322,79 12.818,80 0.334,81 1.236,82 28.188,83 10.716,84 42.871,85 13.031,86 0.402,87 1.327,88 29.737,89 11.117,90 47.41,91 14.247,92 0.368,93 1.233,94 30.882,95 10.908,96 48.282,97 13.379,98 0.309,99 1.076,100 25.644,101 9.271,102 41.435,103 11.617,104 11,105 35,106 0.274,107 0.633,108 0.835,109 0.916,110 0.923,111 0.923,112 3.267,113 1.021,114 -3.55,115 -3.52,116 -3.36,118 41.3,120 3,121 1,124 1,126 1,127 1,133 2,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 8,169 1,171 1,172 6,175 1,177 1,180 8,181 1,186 9,191 1,194 5,195 1,197 1,198 8,203 1,206 5,207 1,210 5,215 1,218 8,219 1,221 1,222 5,227 1,229 9,230 1,234 6,239 1,242 9,247 2,248 2,255 6,256 1,258 2,259 2,262 2,264 1,267 4,268 1,270 1094,271 17.173,272 17.173,273 17.173,274 17.173,275 17.173,276 15.383,277 16.608,278 10.689,279 17.532,280 13.386,281 13.386,282 13.386,283 13.386,284 13.386,285 10.859,286 18.423,287 5.135,288 13.978,289 3.934,290 1.855,291 0.685,292 0.217,293 0.174,294 0.174,295 3.952,298 1,299 1,300 1,301 547,302 3.24,305 76.77,306 164.457,313 1.613,314 25.425,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 54.5,326 258,327 4.222,328 3.597,329 6.543,330 4.047,331 3.083,332 3.622,333 2.341,334 10.36,335 2.966,336 4.026,337 3.586,338 6.091,339 3.686,340 2.737,341 3.537,342 1.902,343 8.867,344 2.591,345 3.567,346 3.113,347 5.242,348 3.254,349 2.26,350 2.74,351 0.869,352 6.385,353 2.235,354 3.518,355 2.408,356 4.659,357 3.21,358 2.219,359 2.698,360 0.22,361 5.183,362 2.184,363 3.148,364 2.14,365 4.505,366 2.761,367 1.814,368 2.236,370 4.637,371 1.704,372 3,373 1.936,374 4.116,375 2.592,376 1.623,377 2.125,379 3.67,380 1.568,381 2.822,382 1.862,383 3.636,384 2.445,385 1.476,386 1.871,388 3.143,389 1.422,390 2.5,391 1.43,392 3.48,393 1.959,394 1,395 1.5,397 2.482,398 0.955,399 2.264,400 1.248,401 3.308,402 1.917,403 1,404 1.2,406 2.144,407 0.908,408 2.164,409 1.034,410 3.247,411 1.891,412 0.948,413 1.128,415 2.136,416 0.88,417 2.118,418 1,419 3.02,420 1.707,421 0.726,422 0.927,424 1.592,425 0.704,426 1.912,427 0.72,428 3,429 1.462,430 0.618,431 0.812,433 1.372,434 0.506,435 1.284,436 0.618,437 2.56,438 1.021,439 0.052,440 0.061,442 0.122,443 0.05,444 0.772,445 0.313,446 2.433,447 0.546,448 -0.43,449 -0.46,451 -0.991,452 -0.414,453 0.592,454 0.077,455 2.162,456 0.285,457 -0.654,458 -0.724,460 -1.613,461 -0.605,462 12.067,463 0.483,464 0.435,465 0.017,466 28,467 1.12,468 12.5,469 0.5,470 15.5,471 0.62,472 22.315,473 0.893,474 27.533,475 0.599,476 19.074,477 0.763,478 5.521,479 0.221,480 6.716,481 0.269,482 0.055,484 0.249,487 0.817,488 1.144,489 0.757,490 0.998,491 0.74,492 0.952,493 0.921,494 1.085,495 0.999,496 1.047,497 0.56,498 1.065,499 0.995,500 1.178,501 1.032,502 1.207,503 0.904,504 1.112,505 1.318,506 0.81,507 0.828,508 0.747,509 0.838,510 0.861,511 0.947,512 1.05,513 1.063,514 1.045,515 0.619,516 1.048,517 0.753,518 0.91,519 0.898,520 0.884,521 0.592,522 0.978,523 0.861,524 1.035,525 1.158,526 1.092,527 0.793,528 1.038,529 0.893,530 1.035,531 0.998,532 0.998,533 0.861,534 1.025,535 3.5,536 0.098,537 2.222,538 0.903,539 0.814,540 0.715,541 0.353,542 0.181,543 0.175,544 0.133,545 7134,546 22112,547 2.085,548 45.7,549 4,550 9,551 2,552 2,553 1,554 2,556 1,558 1.683,559 2,560 3.339,561 -0.317,562 1,563 1,567 73.135,568 1.59,569 3.668,570 4.839,571 5.306,572 5.35,573 5.35,574 2.774,575 4.054,576 4.605,577 3.53,578 1059.05,579 7.988,580 13155.9,582 1,584 1,585 254.084,586 1.164,587 4.597,588 0.13,589 0.007,590 0.063,591 0.027,592 0.025,593 0.022,594 0.011,595 0.006,596 0.007,597 0.007,598 0.306,599 0.33,600 1,601 1.592,602 121.361,603 -0.05,604 -0.049,605 0.058,606 0.02,607 -0.062,608 0.024,609 0.096,610 -0.035,611 -0.068,612 -0.035,613 0.139,614 -0.107,615 -0.041,616 -0.2,617 -0.059,618 -0.212,619 -0.08,620 -0.129,621 -0.131,622 0.117,623 0.032,624 0.122,625 -0.044,626 0.082,627 -0.103,628 -0.059,629 -0.1,630 -0.045,631 -0.018,632 -0.054,633 -0.021,634 0.078,635 0.013,636 0.06,637 -0.019,638 0.016,639 -0.074,640 -0.045,641 -0.067,642 -0.026,643 -0.075,644 -0.019,645 -0.069,646 -0.064,647 -0.029,648 -0.028,649 -0.082,650 -0.03,651 2.444,652 3.57,653 0.68,654 25.99,655 1.007,656 1.118,657 2.315,658 5.36,659 0.676,660 3.332,661 3.584,662 3.807,663 4.043,664 4.22,665 4.304,666 4.443,667 4.533,668 4.564,669 4.5,670 6.308,671 0.638,672 359.48,673 3.332,674 4.828,675 5.645,676 6.491,677 7.334,678 8.192,679 9.048,680 9.914,681 10.779,682 11.65,683 2.2,693 1,699 7,700 1,703 1,704 2,706 11,724 46,726 13,728 27,730 48,731 19,733 9,739 3,740 3,748 1,749 1,751 4,753 12,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 21,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,801 1,802 2,818 1,822 2,830 1,831 2,832 3,834 1,840 25,845 1,846 4,848 2,850 3,856 1,862 8.7,864 1,865 1,866 2,869 12.5,870 7.817,871 5.667,872 2.697,874 1.719,875 1.25,876 0.931,877 6.594,878 8.586,879 3.57,880 4.021,881 4.432,882 4.884,883 5.155,884 5.236,885 5.534,886 5.835,887 6.103,888 6.304,889 0.857,890 33,891 9.262,893 3.881,894 7.813,895 17.723,897 14.448,899 2.313,900 57.833,903 1,904 235.422,905 131.888,906 16.786,908 89.828,910 31.278,911 100.611,912 325.25,913 16.786,915 12.196,916 64.866,917 131.066,918 21.28,919 24.901,920 219.615,922 235.422,923 117.396,924 89.828,925 31.278,927 223.651,928 79.599,929 22,930 0.36,931 30.291,932 51.008,933 35.738,934 31.278,935 235.422,936 106.614,937 131.888,940 235.782,941 48.928,942 82.601,944 106.614,945 235.422,946 106.614,947 131.888,949 0.558,950 0.308,951 0.168,952 0.088,953 15,954 6,955 0.146,956 7,958 1,959 3.806,960 195.853,962 17,963 114.096,964 1,968 18.088,969 9.114,970 5.129,972 106.614,973 13.538,974 4.21,977 1.62,978 2.098,980 42.683,981 473.924,982 34.5,987 10.57,989 3.939,991 -0.777,994 46.323,995 51.408,996 0.288,997 0.664,998 0.876,999 0.961,1000 0.969,1001 0.969,1002 4.769,1003 1,1004 5.58,1005 3.143,1006 4.263,1007 4.705,1008 2.863,1009 6.319,1010 4.179,1011 5.9,1012 1,1013 7.084,1014 2.482,1015 3.611,1016 4.06,1017 2.521,1018 7.111,1019 3.519,1020 7.143,1021 0.948,1022 8.698,1023 2.144,1024 5.765,1025 6.643,1026 4.05,1027 10.225,1028 5.61,1029 8.417,1030 0.726,1031 10.382,1032 2.136,1033 6.019,1034 6.873,1035 4.358,1036 11.94,1037 5.83,1038 9.724,1039 0.618,1040 12.114,1041 1.592,1042 7.566,1043 8.847,1044 5.485,1045 14.536,1046 7.333,1047 11.054,1048 0.052,1049 13.881,1050 1.372,1051 8.256,1052 9.513,1053 6.075,1054 16.606,1055 7.978,1056 12.402,1057 -0.43,1058 15.671,1059 0.122,1060 9.546,1061 11.199,1062 7.037,1063 19.027,1064 9.229,1065 3.083,1066 -0.654,1067 17.478,1068 -0.991,1069 10.453,1070 12.105,1071 7.759,1072 21.242,1073 10.089,1074 2.737,1075 10.36,1076 19.298,1077 -1.613,1078 11.632,1079 13.634,1080 8.65,1081 23.599,1082 11.231,1083 2.26,1084 8.867,1085 21.128,1086 3.622,1087 12.646,1088 14.68,1089 9.435,1090 25.875,1091 12.199,1092 2.219,1093 6.385,1094 22.965,1095 3.537,1096 13.781,1097 16.118,1098 10.298,1099 28.211,1100 13.296,1101 1.814,1102 5.183,1103 24.807,1104 2.74,1105 14.845,1106 17.248,1107 11.114,1108 30.514,1109 14.318,1110 1.623,1111 4.637,1112 26.654,1113 2.698,1114 15.964,1115 18.63,1116 11.966,1117 32.843,1118 15.399,1119 1.476,1120 3.67,1121 28.504,1122 2.236,1123 17.054,1124 19.811,1125 12.798,1126 35.16,1127 16.449,1128 7015,1129 12425,1130 18.375,1131 31.085,1132 39.869,1133 39.66,1134 39.471,1135 39.056,1136 39.112,1137 48.913,1138 10.663,1139 104.186,1140 37.345,1141 5.222,1142 5.597,1143 6.345,1144 5.125,1145 5.083,1146 6.622,1147 3.925,1148 17.109,1149 4.926,1150 9.66,1151 1.477,1152 1.469,1153 1.462,1154 1.447,1155 1.449,1156 1.812,1157 0.395,1158 3.859,1159 1.383,1160 3.981,1161 4.004,1162 4.224,1163 3.928,1164 7.474,1165 3.883,1166 3.832,1167 3.848,1168 3.867,1169 3.813,1170 6.351,1171 3.776,1172 3.752,1173 3.795,1174 3.651,1175 3.643,1176 4.938,1177 3.635,1178 3.606,1179 3.641,1180 3.519,1181 3.438,1182 4.797,1183 3.443,1184 3.356,1185 3.377,1186 3.27,1187 3.136,1188 4.541,1189 3.158,1190 3.026,1191 3.063,1192 2.896,1193 2.806,1194 4.364,1195 2.816,1196 2.963,1197 3.013,1198 2.826,1199 2.785,1200 4.066,1201 2.788,1202 2.794,1203 2.863,1204 2.682,1205 2.537,1206 3.809,1207 2.545,1208 0.156,1209 0.133,1210 0.242,1211 0.15,1212 0.114,1213 4.222,1214 0.134,1215 3.597,1216 0.087,1217 6.543,1218 0.384,1219 4.047,1220 0.11,1221 3.083,1222 3.622,1223 2.341,1224 10.36,1225 2.966,1226 1.904,1227 1.874,1228 2.041,1229 2.042,1230 1.358,1231 2.041,1232 1.749,1233 1.705,1234 1.926,1235 1.893,1236 1.136,1237 1.906,1238 1.611,1239 1.584,1240 1.795,1241 1.804,1242 0.935,1243 1.8,1244 1.492,1245 1.453,1246 1.673,1247 1.628,1248 0.847,1249 1.641,1250 1.377,1251 1.371,1252 1.509,1253 1.518,1254 0.652,1255 1.534,1256 1.219,1257 1.192,1258 1.313,1259 1.347,1260 0.607,1261 1.392,1262 0.94,1263 0.888,1264 1.215,1265 1.164,1266 0.397,1267 1.179,1268 0.825,1269 0.776,1270 1.139,1271 1.142,1272 0.28,1273 1.154,1274 4.007,1276 5.273,1277 2.398,1278 6.727,1279 4.443,1280 8.277,1281 6.293,1282 9.884,1289 8.692,1290 2.057,1292 12.167,1294 -0.28,1300 29.336,1301 73.135,1302 168.746,1303 222.574,1304 244.084,1305 246.084,1306 246.084,1307 46.523,1308 6.867,1309 68.65,1310 96.89,1311 17,1312 12.195,1313 3.807,1314 3.087,1315 41.633,1316 88,1317 110,1318 0.219,1319 184.263,1320 324.57,1321 441.362,1322 7754,1324 17.485,1325 0.699,1326 0.584,1327 17.838,1328 14.601,1329 12.237,1330 0.453,1331 0.34,1332 8.273,1333 11.298,1334 8.054,1335 6.631,1336 12.691,1337 9.189,1338 10.472,1339 0.299,1340 0.197,1341 11.055,1342 6.903,1343 8.267,1344 0.188,1345 0.113,1346 8.948,1347 4.973,1348 6.793,1349 0.121,1350 0.063,1351 7.438,1352 3.545,1353 5.171,1354 0.077,1355 0.033,1356 5.503,1357 2.19,1358 0.343,1359 81.344,1360 0.233,1361 24.483,1362 0.606,1363 124,1364 395.862,1365 160.069,1366 390.081,1367 515.5,1368 366,1369 141,1370 339.179,1371 173.609,1372 353.584,1373 516.59,1374 332,1375 7.149} {0 CHEMBL349982,1 1.678,2 22.018,3 6.751,4 45.579,5 214.934,6 8.046,7 0.459,8 4.675,9 4.781,10 4.334,11 4.241,12 5.774,13 4.212,14 5.229,15 5.393,16 4.716,17 4.637,18 6.28,19 4.588,20 5.468,21 5.655,22 4.862,23 4.808,24 6.519,25 4.74,26 5.539,27 5.72,28 4.939,29 4.866,30 6.614,31 4.791,32 5.569,33 5.748,34 4.896,35 4.889,36 6.613,37 4.811,38 5.618,39 5.804,40 4.95,41 4.96,42 6.631,43 4.851,44 5.692,45 5.924,46 4.781,47 4.919,48 6.637,49 4.786,50 5.64,51 5.891,52 4.616,53 4.788,54 6.565,55 4.647,56 0.124,57 1.416,58 18.355,59 9.133,60 15.426,61 11.224,62 0.597,63 2.324,64 39.291,65 15.381,66 48.875,67 19.255,68 0.862,69 2.88,70 56.152,71 19.68,72 81.617,73 24.489,74 0.844,75 3.084,76 62.699,77 21.292,78 93.939,79 25.899,80 1.004,81 3.1,82 65.999,83 22.746,84 96.118,85 26.66,86 0.909,87 3.268,88 71.561,89 25.088,90 80.715,91 30.948,92 0.956,93 3.394,94 75.458,95 26.153,96 99.117,97 35.163,98 1.055,99 3.091,100 75.367,101 24.864,102 99.512,103 33.573,104 46,105 85,106 0.243,107 0.576,108 0.797,109 0.879,110 0.891,111 0.891,112 4.027,113 0.965,114 -6.13,115 -5.98,116 -5.56,118 42.3,119 3,120 4,124 6,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 2,157 2,162 2,168 16,171 4,172 17,180 19,185 4,186 20,194 13,197 2,198 28,206 17,209 2,210 19,218 19,221 3,222 18,229 22,233 6,234 15,242 14,246 3,247 14,255 14,258 4,259 12,267 12,270 8049,271 37.75,272 37.75,273 37.75,274 37.75,275 37.75,276 33.712,277 41.307,278 22.578,279 38.819,280 30.106,281 30.106,282 30.106,283 30.106,284 30.106,285 23.825,286 50.869,287 10.669,288 31.766,289 4.922,290 2.613,291 1.087,292 0.518,293 0.436,294 0.436,295 4.742,297 1,301 2663,302 5.244,305 231.152,306 697.955,307 170.994,309 195.641,310 480.768,313 3.365,314 55.267,317 0.25,318 0.17,319 0.5,320 0.6,321 0.5,322 0.33,323 0.5,324 0.41,325 118.833,326 1211,327 4.777,328 3.999,329 7.189,330 4.377,331 3.435,332 4.518,333 2.443,334 12.683,335 3.246,336 4.38,337 3.758,338 6.688,339 4.002,340 3.021,341 4.001,342 2.373,343 10.741,344 2.973,345 4.362,346 3.681,347 6.5,348 3.964,349 3.015,350 3.968,351 2.061,352 10.18,353 2.838,354 4.241,355 3.608,356 6.369,357 3.862,358 2.916,359 3.838,360 1.162,361 9.686,362 2.745,363 3.929,364 3.225,365 6.031,366 3.637,367 2.681,368 3.471,369 0.795,370 8.571,371 2.552,372 3.894,373 3.146,374 5.707,375 3.503,376 2.516,377 3.115,378 0.739,379 7.354,380 2.483,381 3.655,382 2.971,383 5.527,384 3.35,385 2.373,386 2.938,387 0.286,388 7.106,389 2.297,390 3.64,391 2.784,392 5.414,393 3.272,394 2.337,395 2.917,396 0.166,397 6.83,398 2.178,399 3.536,400 2.737,401 5.134,402 3.111,403 2.141,404 2.825,406 6.125,407 2.083,408 3.413,409 2.561,410 5.029,411 3.065,412 2.105,413 2.617,415 6.066,416 1.991,417 3.154,418 2.231,419 4.977,420 2.731,421 1.807,422 2.352,424 5.296,425 1.677,426 3.061,427 2.154,428 4.676,429 2.718,430 1.783,431 2.232,433 4.567,434 1.635,435 2.879,436 1.993,437 4.208,438 2.514,439 1.57,440 2.032,442 3.94,443 1.48,444 2.848,445 1.908,446 4.182,447 2.484,448 1.539,449 1.959,451 3.804,452 1.439,453 2.794,454 1.841,455 4.151,456 2.405,457 1.464,458 1.835,460 3.375,461 1.361,462 26.514,463 0.482,464 1.199,465 0.022,466 68,467 1.236,468 32,469 0.582,470 36,471 0.655,472 63.909,473 1.162,474 58.686,475 0.605,476 62.291,477 1.133,478 13.292,479 0.242,480 13.525,481 0.246,482 0.109,484 0.332,487 0.67,488 1.268,489 0.667,490 1.029,491 0.56,492 0.949,493 0.937,494 1.079,495 0.762,496 0.882,497 0.66,498 0.864,499 1.071,500 1.009,501 0.95,502 0.902,503 0.984,504 0.871,505 1.222,506 1.116,507 1.088,508 1.063,509 1.268,510 0.984,511 1.389,512 1.016,513 1.177,514 1.03,515 1.312,516 0.965,517 0.858,518 1.181,519 1.147,520 1.209,521 0.777,522 1.156,523 0.696,524 1.061,525 1.075,526 1.098,527 0.712,528 1.13,529 0.775,530 0.978,531 1.022,532 1.036,533 0.773,534 1.05,535 8.5,536 0.37,537 6.222,538 4.042,539 2.964,540 2.185,541 1.625,542 0.885,543 0.627,544 0.52,545 73517,546 203405,547 2.117,548 43.3,549 2,550 23,552 2,554 5,555 10,558 1.869,559 2,560 4.274,561 -0.742,567 162.793,568 1.678,569 3.987,570 5.512,571 6.082,572 6.164,573 6.164,574 3.755,575 5.563,576 5.751,577 4.575,578 6794.24,579 10.232,580 160765,585 640.192,586 1.342,587 5.721,588 0.139,589 0.006,590 0.073,591 0.043,592 0.031,593 0.023,594 0.017,595 0.011,596 0.009,597 0.008,598 0.359,599 0.17,600 0.38,601 1.4,602 348.003,603 0.062,604 -0.12,605 0.062,606 -0.043,607 0.015,608 -0.011,609 0.024,610 0.007,611 0.091,612 0.095,613 0.036,614 0.081,615 -0.049,616 0.065,617 0.036,618 0.106,619 -0.035,620 0.084,621 -0.128,622 -0.04,623 -0.019,624 -0.009,625 -0.116,626 -0.026,627 -0.209,628 0.042,629 -0.116,630 0.038,631 -0.179,632 -0.005,633 0.014,634 -0.135,635 -0.075,636 -0.138,637 -0.014,638 -0.16,639 0.065,640 -0.076,641 -0.064,642 -0.121,643 0.026,644 -0.117,645 0.07,646 -0.036,647 -0.011,648 -0.06,649 0.035,650 -0.027,651 1.87,652 6.491,653 0.636,654 96.959,655 1.007,656 1.122,657 4.903,658 24.041,659 0.686,660 4.127,661 4.454,662 4.771,663 5.081,664 5.352,665 5.561,666 5.802,667 6.014,668 6.178,669 6.303,670 12.537,671 0.652,672 780.42,673 4.127,674 5.68,675 6.547,676 7.438,677 8.329,678 9.235,679 10.141,680 11.058,681 11.974,682 12.899,683 7.2,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 97,726 32,727 2,728 61,730 103,731 41,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 5,753 27,754 14,756 4,761 2,764 2,765 4,772 42,773 11,775 14,776 2,779 7,784 0.571,785 5,795 1,801 2,802 4,803 1,805 1,806 2,817 1,819 1,831 1,832 4,834 1,836 3,837 1,840 55,846 10,848 3,850 1,851 1,856 1,859 1,861 1,862 5.2,865 2,866 1,867 2,869 27.5,870 18.626,871 12.194,872 6.187,874 5.275,875 1.52,876 0.983,877 12.719,878 15.425,879 4.382,880 4.963,881 5.559,882 6.152,883 6.661,884 7.043,885 7.517,886 7.948,887 8.335,888 8.657,889 1,890 95,891 20.405,893 8.694,894 7.696,895 39.149,897 32.283,899 2.196,900 120.778,904 494.386,905 250.297,906 91.32,907 39.149,908 83.508,910 31.278,911 219.019,912 617.043,913 91.32,914 26.476,915 35.843,916 94.762,917 157.009,918 101.942,919 1.358,920 502.122,921 39.149,922 494.386,923 310.34,924 83.508,925 70.426,927 376.675,928 190.22,929 11,931 124.084,932 136.144,933 89.26,934 31.278,935 494.386,936 174.829,937 289.446,940 494.386,941 110.964,942 144.356,944 208.954,945 494.386,946 174.829,947 289.446,949 0.575,950 0.341,951 0.19,952 0.103,953 39,954 18,955 0.146,956 15,957 3,958 1.171,959 6.138,960 621.341,961 0.171,962 35,963 313.975,964 1,968 38.831,969 18.015,970 8.853,972 172.93,973 22.82,974 13.115,977 1.658,978 10.024,979 2.103,981 958.661,982 79,987 25.086,990 9.581,991 1.224,994 97.654,995 108.873,996 0.254,997 0.604,998 0.835,999 0.921,1000 0.934,1001 0.934,1002 5.631,1003 2.337,1004 6.526,1005 7.106,1006 5.142,1007 5.652,1008 3.544,1009 7.367,1010 5.04,1011 6.829,1012 2.141,1013 8.099,1014 6.83,1015 4.691,1016 5.407,1017 2.619,1018 8.345,1019 4.546,1020 8.137,1021 2.105,1022 9.778,1023 6.125,1024 6.751,1025 7.817,1026 4.943,1027 11.508,1028 6.561,1029 9.483,1030 1.807,1031 11.523,1032 6.066,1033 7.179,1034 8.453,1035 4.578,1036 13.38,1037 6.938,1038 10.867,1039 1.783,1040 13.312,1041 5.296,1042 8.676,1043 10.304,1044 6.55,1045 16.069,1046 8.396,1047 12.278,1048 1.57,1049 15.132,1050 4.567,1051 9.509,1052 11.355,1053 6.398,1054 18.305,1055 9.171,1056 13.71,1057 1.539,1058 16.975,1059 3.94,1060 10.794,1061 12.98,1062 8.228,1063 20.852,1064 10.414,1065 3.435,1066 1.464,1067 18.835,1068 3.804,1069 11.818,1070 14.237,1071 8.174,1072 23.243,1073 11.378,1074 3.021,1075 12.683,1076 20.709,1077 3.375,1078 13.027,1079 15.766,1080 9.936,1081 25.753,1082 12.542,1083 3.015,1084 10.741,1085 22.595,1086 4.518,1087 14.14,1088 17.129,1089 9.938,1090 28.212,1091 13.595,1092 2.916,1093 10.18,1094 24.489,1095 4.001,1096 15.329,1097 18.62,1098 11.661,1099 30.719,1100 14.733,1101 2.681,1102 9.686,1103 26.392,1104 3.968,1105 16.486,1106 20.037,1107 11.7,1108 33.211,1109 15.831,1110 2.516,1111 8.571,1112 28.302,1113 3.838,1114 17.675,1115 21.516,1116 13.395,1117 35.724,1118 16.966,1119 2.373,1120 7.354,1121 30.217,1122 3.471,1123 18.856,1124 22.964,1125 13.465,1126 38.234,1127 18.088,1128 68416,1129 114011,1130 41.263,1131 66.523,1132 92.317,1133 95.555,1134 94.573,1135 91.266,1136 91.075,1137 116.707,1138 20.05,1139 262.53,1140 86.259,1141 5.728,1142 5.999,1143 7.017,1144 5.544,1145 5.435,1146 7.518,1147 4.816,1148 20.397,1149 5.246,1150 27.372,1151 1.513,1152 1.566,1153 1.55,1154 1.496,1155 1.493,1156 1.913,1157 0.329,1158 4.304,1159 1.414,1160 4.133,1161 4.165,1162 4.33,1163 4.084,1164 7.433,1165 4.055,1166 3.986,1167 4.014,1168 4,1169 3.918,1170 7.426,1171 3.917,1172 3.872,1173 3.9,1174 3.94,1175 3.827,1176 5.102,1177 3.81,1178 3.834,1179 3.886,1180 3.82,1181 3.717,1182 5.007,1183 3.72,1184 3.806,1185 3.845,1186 3.746,1187 3.641,1188 4.94,1189 3.666,1190 3.746,1191 3.788,1192 3.631,1193 3.579,1194 4.802,1195 3.578,1196 3.568,1197 3.592,1198 3.588,1199 3.38,1200 4.702,1201 3.397,1202 3.523,1203 3.572,1204 3.394,1205 3.292,1206 4.617,1207 3.299,1208 0.078,1209 0.066,1210 0.118,1211 0.072,1212 0.056,1213 4.777,1214 0.074,1215 3.999,1216 0.04,1217 7.189,1218 0.208,1219 4.377,1220 0.053,1221 3.435,1222 4.518,1223 2.443,1224 12.683,1225 3.246,1226 1.956,1227 1.932,1228 2.051,1229 2.047,1230 1.291,1231 2.048,1232 1.923,1233 1.903,1234 2.005,1235 2.005,1236 1.279,1237 2.01,1238 1.801,1239 1.765,1240 1.953,1241 1.948,1242 1.179,1243 1.951,1244 1.787,1245 1.751,1246 1.936,1247 1.912,1248 1.103,1249 1.922,1250 1.711,1251 1.662,1252 1.911,1253 1.903,1254 1.04,1255 1.91,1256 1.67,1257 1.626,1258 1.826,1259 1.852,1260 0.965,1261 1.846,1262 1.552,1263 1.508,1264 1.8,1265 1.742,1266 0.94,1267 1.758,1268 1.483,1269 1.421,1270 1.724,1271 1.734,1272 0.868,1273 1.736,1274 4.812,1276 6.138,1277 3.045,1278 7.654,1279 5.533,1280 9.262,1281 7.751,1282 10.926,1284 5.776,1285 6.74,1290 4.413,1292 16.586,1294 -0.214,1295 1.865,1300 63.221,1301 162.793,1302 386.746,1303 534.708,1304 589.927,1305 597.927,1306 597.927,1307 114.826,1308 10.15,1309 133.39,1310 161.63,1311 41,1312 13.407,1313 5.044,1314 4.248,1315 85.034,1316 425,1317 500,1318 0.096,1319 389.542,1320 686.63,1321 942.243,1322 530729,1323 1,1324 38.313,1325 0.697,1326 0.593,1327 39.166,1328 32.607,1329 26.817,1330 0.44,1331 0.322,1332 18.269,1333 25.017,1334 17.703,1335 14.598,1336 27.514,1337 19.621,1338 23.709,1339 0.279,1340 0.174,1341 24.695,1342 14.781,1343 20.438,1344 0.175,1345 0.094,1346 21.591,1347 11.022,1348 17.511,1349 0.109,1350 0.052,1351 18.91,1352 8.383,1353 14.295,1354 0.068,1355 0.029,1356 15.663,1357 6.112,1358 0.158,1359 175.568,1360 0.156,1361 47.194,1362 0.243,1363 292,1364 885.257,1365 361.747,1366 892.991,1367 1218.27,1368 840,1369 348,1370 864.256,1371 414.513,1372 890.964,1373 1311.94,1374 840,1375 7.237} {0 CHEMBL350225,1 1.494,2 11.9,3 4.217,4 17.781,5 120.071,6 7.248,7 0.375,8 4.144,9 4.248,10 3.717,11 3.716,12 5.204,13 3.657,14 4.701,15 4.855,16 4.116,17 4.123,18 5.767,19 4.023,20 4.992,21 5.174,22 4.179,23 4.28,24 5.924,25 4.143,26 5.119,27 5.349,28 4.082,29 4.257,30 6.006,31 4.131,32 5.023,33 5.217,34 4.108,35 4.326,36 5.935,37 4.19,38 5.224,39 5.482,40 4.116,41 4.367,42 6.046,43 4.209,44 5.129,45 5.364,46 4.032,47 4.315,48 5.991,49 4.145,50 5.081,51 5.354,52 3.892,53 4.209,54 5.903,55 4.037,56 0.028,57 0.771,58 13.424,59 6.329,60 13.001,61 7.808,62 0.372,63 1.28,64 26.729,65 10.911,66 53.217,67 13.314,68 0.311,69 1.678,70 43.881,71 15.487,72 49.559,73 18.174,74 0.691,75 1.726,76 44.118,77 15.094,78 74.684,79 18.779,80 0.199,81 1.731,82 37.764,83 15.102,84 46.183,85 19.211,86 0.498,87 1.995,88 46.951,89 17.138,90 67.075,91 22.811,92 0.414,93 1.857,94 44.835,95 16.221,96 62.623,97 20.958,98 0.42,99 1.739,100 41.656,101 14.843,102 58.55,103 19.979,104 23,105 43,106 0.245,107 0.575,108 0.776,109 0.857,110 0.87,111 0.87,112 3.44,113 1.036,114 -4.56,115 -4.49,116 -4.22,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 7,141 1,142 1,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 6,175 1,177 1,180 15,181 1,186 11,191 1,194 9,195 1,197 1,198 6,203 1,206 10,207 1,210 9,215 1,218 14,219 1,221 1,222 9,227 1,229 11,230 1,234 9,239 1,242 13,247 1,248 2,255 13,256 1,258 2,259 4,262 2,264 1,267 14,268 1,270 1756,271 20.059,272 20.059,273 20.059,274 20.059,275 20.059,276 18.115,277 17.61,278 12.319,279 20.407,280 15.854,281 15.854,282 15.854,283 15.854,284 15.854,285 13.145,286 18.391,287 5.927,288 16.469,289 4.388,290 2.372,291 1.143,292 0.649,293 0.568,294 0.568,295 4.122,299 1,300 1,301 744,302 4.183,306 324.928,313 2.04,314 28.093,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 64.5,326 357,327 4.426,328 4.852,329 7.315,330 4.342,331 3.407,332 3.603,333 2.95,334 12.546,335 3.176,336 4.139,337 3.597,338 6.5,339 3.95,340 2.984,341 3.535,342 2.341,343 10.191,344 2.876,345 3.821,346 3.586,347 5.391,348 3.384,349 2.435,350 3.23,351 1.465,352 6.95,353 2.296,354 3.566,355 3.321,356 5.243,357 3.255,358 2.262,359 2.731,360 0.811,361 6.396,362 2.236,363 3.509,364 2.617,365 4.751,366 3.215,367 2.221,368 2.672,370 5.184,371 2.19,372 3.118,373 2.33,374 4.659,375 2.713,376 1.744,377 2.204,379 4.939,380 1.679,381 2.906,382 1.971,383 4.129,384 2.542,385 1.584,386 2.058,388 3.658,389 1.509,390 2.84,391 1.863,392 3.644,393 2.443,394 1.472,395 1.92,397 3.141,398 1.421,399 2.586,400 1.742,401 3.604,402 2.361,403 1.388,404 1.581,406 3.022,407 1.339,408 2.5,409 1.414,410 3.48,411 2,412 1,413 1.5,415 2.476,416 1,417 2.5,418 1.225,419 3.247,420 1.958,421 1,422 1.5,424 2.136,425 0.955,426 2.169,427 1,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.918,436 1,437 3.188,438 1.772,439 0.778,440 0.832,442 1.67,443 0.768,444 1.291,445 0.785,446 2.987,447 1.038,448 0.075,449 0.085,451 0.177,452 0.071,453 1.088,454 0.684,455 2.664,456 0.739,457 -0.131,458 -0.151,460 -0.346,461 -0.111,462 14.567,463 0.486,464 0.718,465 0.024,466 33,467 1.1,468 15,469 0.5,470 18,471 0.6,472 31.78,473 1.059,474 33.433,475 0.567,476 24.187,477 0.806,478 6.253,479 0.208,480 8.202,481 0.273,482 0.114,483 0.034,484 0.206,487 0.809,488 1.173,489 0.814,490 1.05,491 0.769,492 1.015,493 0.888,494 1.032,495 0.952,496 0.992,497 0.557,498 1.003,499 1.056,500 1.323,501 1.5,502 1.521,503 0.889,504 1.228,505 1.566,506 0.727,507 1.015,508 0.746,509 0.891,510 0.815,511 0.82,512 1.28,513 1.134,514 1.276,515 0.563,516 1.233,517 0.884,518 0.878,519 0.839,520 0.844,521 0.565,522 0.908,523 0.965,524 1.102,525 1.124,526 1.106,527 0.764,528 1.1,529 0.826,530 0.823,531 0.866,532 0.814,533 0.731,534 0.866,535 6,536 0.148,537 3.111,538 1.813,539 1.476,540 1.16,541 0.587,542 0.467,543 0.34,544 0.18,545 11414,546 31582,547 2.024,548 49.2,549 4,550 12,551 1,552 2,553 1,554 2,555 6,556 1,558 1.732,559 1.905,560 3.517,561 -0.382,563 1,567 88.155,568 1.494,569 3.511,570 4.74,571 5.234,572 5.315,573 5.315,574 3.111,575 4.282,576 4.868,577 3.726,578 1620.76,579 8.522,580 22948.7,582 1,585 347.076,586 1.433,587 4.835,588 0.188,589 0.005,590 0.072,591 0.042,592 0.035,593 0.026,594 0.014,595 0.012,596 0.01,597 0.006,598 0.41,599 0.17,600 1,601 1.533,602 154.899,603 -0.028,604 -0.041,605 0.06,606 0.016,607 -0.071,608 0.02,609 0.138,610 0.049,611 0.073,612 0.083,613 0.157,614 0.003,615 -0.045,616 -0.253,617 -0.18,618 -0.293,619 -0.075,620 -0.197,621 -0.19,622 0.222,623 -0.009,624 0.204,625 -0.077,626 0.133,627 -0.042,628 -0.249,629 -0.164,630 -0.237,631 0.006,632 -0.219,633 -0.014,634 0.08,635 0.067,636 0.079,637 0.011,638 0.069,639 -0.086,640 -0.116,641 -0.104,642 -0.09,643 -0.081,644 -0.103,645 -0.046,646 0.139,647 0.059,648 0.116,649 -0.041,650 0.115,651 2.446,652 3.679,653 0.6,654 35.538,655 0.998,656 1.12,657 3.333,658 11.108,659 0.663,660 3.497,661 3.784,662 3.97,663 4.19,664 4.419,665 4.466,666 4.585,667 4.663,668 4.7,669 4.718,670 7.124,671 0.618,672 427.61,673 3.497,674 5.017,675 5.832,676 6.693,677 7.535,678 8.408,679 9.265,680 10.146,681 11.012,682 11.899,683 1.7,693 1,699 9,700 1,704 2,706 12,724 59,726 14,727 1,728 32,730 61,731 24,733 11,734 1,735 5,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,772 29,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 2,840 30,845 1,846 4,848 2,849 1,850 3,852 1,862 6.8,864 1,865 1,866 2,869 15.75,870 10.733,871 6.681,872 3.489,874 1.798,875 1.25,876 0.907,877 8.232,878 8.983,879 3.714,880 4.174,881 4.538,882 4.968,883 5.414,884 5.319,885 5.581,886 5.844,887 5.979,888 6.183,889 1,890 43,891 11.134,893 4.639,894 7.736,895 21.446,897 17.503,899 2.236,900 67.083,903 1,904 329.591,905 171.453,906 16.786,908 89.828,910 32.22,911 139.233,912 419.419,913 16.786,914 17.65,915 12.196,916 85.646,917 131.066,918 22.831,919 11.771,920 326.497,922 329.591,923 156.019,924 89.828,925 32.22,927 247.193,928 150.226,929 22,930 0.36,931 47.941,932 71.98,933 35.738,934 32.22,935 329.591,936 106.614,937 171.453,940 329.95,941 50.062,942 121.031,944 106.614,945 329.591,946 106.614,947 171.453,949 0.57,950 0.308,951 0.161,952 0.091,953 18,954 8,955 0.148,956 9,958 1,959 4.134,960 254.022,962 18,963 141.207,964 1,968 22.705,969 10.876,970 6.774,972 106.614,973 17.848,974 4.269,978 2.214,980 42.683,981 607.657,982 40,987 10.679,989 3.962,991 -0.779,994 58.858,995 66.069,996 0.254,997 0.597,998 0.806,999 0.89,1000 0.903,1001 0.903,1002 4.942,1003 1.472,1004 5.82,1005 3.658,1006 4.466,1007 4.86,1008 3.484,1009 6.624,1010 4.384,1011 6.104,1012 1.388,1013 7.377,1014 3.141,1015 4.111,1016 4.407,1017 2.243,1018 7.796,1019 3.958,1020 7.379,1021 1,1022 9.06,1023 3.022,1024 6.084,1025 6.811,1026 5.294,1027 10.835,1028 5.901,1029 8.685,1030 1,1031 10.827,1032 2.476,1033 6.594,1034 7.088,1035 4.112,1036 12.893,1037 6.319,1038 10.025,1039 1,1040 12.651,1041 2.136,1042 8.067,1043 9.027,1044 7.326,1045 15.541,1046 7.758,1047 11.388,1048 0.778,1049 14.515,1050 2.136,1051 8.971,1052 9.658,1053 5.889,1054 17.897,1055 8.565,1056 12.771,1057 0.075,1058 16.408,1059 1.67,1060 10.26,1061 11.374,1062 9.43,1063 20.444,1064 9.809,1065 3.407,1066 -0.131,1067 18.321,1068 0.177,1069 11.338,1070 12.208,1071 7.625,1072 22.902,1073 10.796,1074 2.984,1075 12.546,1076 20.25,1077 -0.346,1078 12.566,1079 13.788,1080 11.561,1081 25.423,1082 11.966,1083 2.435,1084 10.191,1085 22.191,1086 3.603,1087 13.719,1088 14.752,1089 9.342,1090 27.918,1091 13.035,1092 2.262,1093 6.95,1094 24.14,1095 3.535,1096 14.929,1097 16.243,1098 13.706,1099 30.436,1100 14.18,1101 2.221,1102 6.396,1103 26.096,1104 3.23,1105 16.115,1106 17.296,1107 11.051,1108 32.946,1109 15.287,1110 1.744,1111 5.184,1112 28.057,1113 2.731,1114 17.323,1115 18.724,1116 15.858,1117 35.466,1118 16.425,1119 1.584,1120 4.939,1121 30.022,1122 2.672,1123 18.524,1124 19.839,1125 12.755,1126 37.984,1127 17.551,1128 11278,1129 18848,1130 21.148,1131 39.131,1132 47.579,1133 49.612,1134 47.518,1135 46.824,1136 46.702,1137 57.174,1138 15.134,1139 129.242,1140 44.84,1141 5.426,1142 6.852,1143 7.117,1144 5.461,1145 5.407,1146 6.603,1147 5.9,1148 19.976,1149 5.176,1150 14.59,1151 1.487,1152 1.55,1153 1.485,1154 1.463,1155 1.459,1156 1.787,1157 0.473,1158 4.039,1159 1.401,1160 3.98,1161 4.007,1162 4.062,1163 3.902,1164 7.474,1165 3.881,1166 3.875,1167 3.903,1168 3.865,1169 3.821,1170 6.351,1171 3.81,1172 3.759,1173 3.803,1174 3.664,1175 3.645,1176 4.931,1177 3.64,1178 3.691,1179 3.726,1180 3.622,1181 3.57,1182 4.768,1183 3.552,1184 3.549,1185 3.597,1186 3.478,1187 3.412,1188 4.715,1189 3.402,1190 3.323,1191 3.353,1192 3.247,1193 3.115,1194 4.372,1195 3.131,1196 2.967,1197 3.016,1198 2.962,1199 2.809,1200 4.103,1201 2.791,1202 2.954,1203 3.009,1204 2.826,1205 2.794,1206 4.066,1207 2.747,1208 0.138,1209 0.152,1210 0.229,1211 0.136,1212 0.106,1213 4.426,1214 0.113,1215 4.852,1216 0.092,1217 7.315,1218 0.392,1219 4.342,1220 0.099,1221 3.407,1222 3.603,1223 2.95,1224 12.546,1225 3.176,1226 1.913,1227 1.888,1228 2.045,1229 2.049,1230 1.364,1231 2.049,1232 1.879,1233 1.853,1234 1.987,1235 1.947,1236 1.186,1237 1.974,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.129,1243 1.906,1244 1.664,1245 1.626,1246 1.864,1247 1.836,1248 1.018,1249 1.847,1250 1.536,1251 1.488,1252 1.77,1253 1.714,1254 0.935,1255 1.739,1256 1.252,1257 1.217,1258 1.494,1259 1.504,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.821,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.174,1276 5.468,1278 6.956,1280 8.534,1282 10.165,1284 4.281,1289 8.781,1290 2.016,1292 12.689,1293 1.743,1294 -0.346,1296 -0.274,1300 36.443,1301 88.155,1302 207.129,1303 279.65,1304 308.811,1305 313.566,1306 313.566,1307 68.157,1308 7.185,1309 68.65,1310 93.95,1311 18,1312 12.435,1313 3.907,1314 3.17,1315 55.077,1316 121,1317 150,1318 0.213,1319 229.297,1320 408.43,1321 551.246,1322 11807,1324 21.399,1325 0.713,1326 0.609,1327 21.753,1328 18.255,1329 14.454,1330 0.452,1331 0.345,1332 10.191,1333 13.502,1334 9.806,1335 8.145,1336 14.835,1337 11.05,1338 13.061,1339 0.304,1340 0.225,1341 13.907,1342 9.654,1343 9.805,1344 0.189,1345 0.12,1346 10.56,1347 6.222,1348 7.914,1349 0.122,1350 0.071,1351 8.708,1352 4.59,1353 6.388,1354 0.078,1355 0.039,1356 7.074,1357 3.16,1358 0.334,1359 93.914,1360 0.217,1361 28.538,1362 0.585,1363 150,1364 431.862,1365 192.75,1366 429.225,1367 571.18,1368 402,1369 170,1370 381.522,1371 206.614,1372 401.536,1373 583.92,1374 376,1375 7.398} {0 CHEMBL350510,1 1.571,2 12.353,3 3.185,4 10.141,5 127.382,6 7.533,7 0.333,8 4.255,9 4.344,10 3.933,11 3.79,12 5.327,13 3.747,14 4.831,15 4.971,16 4.229,17 4.154,18 6.09,19 4.109,20 5.128,21 5.293,22 4.319,23 4.308,24 6.235,25 4.246,26 5.248,27 5.452,28 4.299,29 4.347,30 6.331,31 4.273,32 5.194,33 5.377,34 4.311,35 4.433,36 6.203,37 4.332,38 5.363,39 5.594,40 4.349,41 4.488,42 6.306,43 4.366,44 5.374,45 5.59,46 4.242,47 4.42,48 6.49,49 4.3,50 5.278,51 5.551,52 4.095,53 4.329,54 6.133,55 4.182,56 0.122,57 0.871,58 16.422,59 7.228,60 26.047,61 8.277,62 0.605,63 1.387,64 30.287,65 11.622,66 95.776,67 13.874,68 0.909,69 1.725,70 41.253,71 14.507,72 106.72,73 17.543,74 1.219,75 1.862,76 48.842,77 15.896,78 127.745,79 19.739,80 0.602,81 1.94,82 42.255,83 16.471,84 88.447,85 20.658,86 0.83,87 2.228,88 58.746,89 19.426,90 111.979,91 25.106,92 1.451,93 2.103,94 53.338,95 17.795,96 182.651,97 23.166,98 0.897,99 1.968,100 53.093,101 17.002,102 110.245,103 22.95,104 59,105 51,106 0.251,107 0.593,108 0.801,109 0.872,110 0.882,111 0.882,112 3.561,113 1.082,114 -3.42,115 -3.4,116 -3.25,118 38.5,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 2,172 9,175 1,177 1,180 9,181 1,185 2,186 13,191 1,194 6,195 1,197 3,198 11,203 1,206 7,207 1,210 11,215 1,218 12,219 1,221 1,222 15,227 1,229 9,230 1,233 5,234 10,239 1,242 9,247 2,248 2,255 10,256 1,258 2,259 8,262 2,264 1,267 11,268 1,270 2232,271 22.032,272 22.032,273 22.032,274 22.032,275 22.032,276 19.786,277 22.751,278 13.154,279 22.539,280 17.809,281 17.809,282 17.809,283 17.809,284 17.809,285 14.527,286 26.789,287 6.284,288 18.708,289 4.451,290 2.307,291 1.004,292 0.558,293 0.496,294 0.496,295 4.237,300 1,301 866,302 4.899,306 368.179,313 2.277,314 52.364,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 75.5,326 420,327 4.846,328 5.191,329 7.34,330 4.382,331 3.45,332 4.705,333 2.95,334 12.659,335 3.246,336 4.413,337 3.801,338 7.22,339 4.215,340 3.322,341 3.597,342 2.341,343 12.113,344 2.919,345 4.136,346 3.597,347 6.5,348 3.949,349 2.98,350 3.505,351 1.465,352 10.189,353 2.869,354 3.804,355 3.335,356 5.6,357 3.298,358 2.352,359 3.23,360 0.86,361 7.314,362 2.239,363 3.566,364 2.908,365 5.248,366 3.253,367 2.261,368 2.731,369 0.811,370 6.405,371 2.204,372 3.509,373 2.506,374 4.83,375 3.213,376 2.22,377 2.672,379 5.185,380 2.178,381 3.119,382 2.302,383 4.659,384 2.719,385 1.746,386 2.204,388 5.026,389 1.69,390 2.906,391 2.018,392 4.153,393 2.548,394 1.585,395 2.059,397 3.671,398 1.524,399 2.841,400 1.905,401 4.081,402 2.444,403 1.472,404 1.921,406 3.348,407 1.422,408 2.667,409 1.859,410 3.638,411 2.37,412 1.388,413 1.718,415 3.134,416 1.357,417 2.583,418 1.513,419 3.612,420 2.135,421 1.153,422 1.579,424 2.825,425 1.126,426 2.5,427 1.399,428 3.48,429 1.958,430 1,431 1.5,433 2.476,434 0.955,435 2.169,436 1.216,437 3.247,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.918,445 1,446 3.235,447 1.772,448 0.779,449 0.832,451 1.67,452 0.768,453 1.309,454 0.759,455 3.01,456 1.043,457 0.087,458 0.1,460 0.211,461 0.081,462 16.067,463 0.473,464 1.096,465 0.032,466 39,467 1.147,468 18,469 0.529,470 21,471 0.618,472 36.231,473 1.066,474 39.133,475 0.602,476 33.774,477 0.993,478 7.457,479 0.219,480 8.619,481 0.254,482 0.176,483 0.083,484 0.218,487 0.705,488 1.319,489 0.855,490 1.297,491 0.727,492 1.067,493 0.864,494 1.15,495 0.985,496 1.149,497 0.546,498 1.013,499 1.244,500 1.106,501 1.025,502 1.065,503 1.045,504 1.083,505 1.282,506 0.807,507 0.971,508 0.801,509 0.778,510 0.858,511 0.961,512 1.192,513 1.004,514 1.126,515 0.726,516 1.179,517 0.782,518 1.078,519 1.052,520 1.157,521 0.59,522 1.035,523 1.09,524 0.985,525 0.982,526 0.915,527 1.061,528 1.088,529 0.823,530 0.76,531 0.852,532 0.769,533 0.581,534 0.791,535 8.5,536 0.281,537 4.444,538 2.75,539 1.884,540 1.847,541 0.791,542 0.576,543 0.505,544 0.407,545 15298,546 48772,547 1.963,548 47.7,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.764,559 1.805,560 3.536,561 -0.334,563 1,567 102.126,568 1.571,569 3.716,570 5.018,571 5.464,572 5.526,573 5.526,574 3.091,575 4.271,576 5.051,577 3.806,578 2135,579 8.889,580 32890.3,585 391.454,586 1.665,587 4.985,588 0.236,589 0.007,590 0.087,591 0.053,592 0.036,593 0.035,594 0.015,595 0.013,596 0.012,597 0.01,598 0.503,599 0.33,600 0.88,601 1.608,602 182.172,603 0.014,604 -0.094,605 0.166,606 -0.05,607 -0.123,608 0.01,609 0.122,610 -0.05,611 0.011,612 -0.058,613 0.223,614 -0.005,615 -0.082,616 -0.096,617 -0.086,618 -0.084,619 -0.117,620 -0.117,621 -0.094,622 0.148,623 -0.015,624 0.132,625 0.004,626 0.094,627 -0.111,628 -0.16,629 -0.122,630 -0.128,631 -0.06,632 -0.172,633 0.002,634 -0.074,635 -0.013,636 -0.117,637 0.024,638 -0.017,639 -0.007,640 -0.049,641 -0.112,642 -0.035,643 -0.072,644 -0.135,645 -0.043,646 0.18,647 0.113,648 0.168,649 -0.005,650 0.206,651 4.396,652 5.192,653 0.529,654 41.156,655 1.011,656 1.125,657 2.192,658 4.803,659 0.65,660 3.611,661 3.951,662 4.127,663 4.357,664 4.575,665 4.663,666 4.727,667 4.779,668 4.875,669 4.997,670 7.586,671 0.617,672 489.64,673 3.611,674 5.165,675 5.989,676 6.876,677 7.729,678 8.624,679 9.489,680 10.389,681 11.262,682 12.166,683 1.5,693 1,699 8,700 1,704 3,706 12,722 1,724 65,726 16,727 1,728 36,730 67,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 4,760 1,761 3,763 2,765 1,772 31,773 8,774 1,775 9,776 1,779 1,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,834 1,836 3,840 34,843 1,845 1,846 4,848 3,850 3,852 1,862 10.8,864 1,865 3,866 2,867 1,869 18.833,870 12.15,871 7.375,872 3.704,874 2.136,875 1.285,876 0.91,877 8.748,878 9.63,879 3.85,880 4.394,881 4.741,882 5.204,883 5.637,884 5.689,885 5.905,886 6.017,887 6.192,888 6.523,889 1,890 52,891 12.876,893 5.714,894 8.01,895 23.817,897 19.599,899 2.51,900 85.333,904 353.133,905 148.237,906 16.786,908 145.141,910 6.046,911 142.191,912 498.274,913 16.786,914 24.841,915 12.196,916 82.216,917 175.379,918 39.074,919 11.771,920 317.82,922 353.133,923 158.976,924 145.141,925 6.046,927 270.735,928 205.539,929 22,930 0.36,931 47.941,932 74.937,933 41.784,935 353.133,936 161.926,937 148.237,939 6.046,940 353.493,941 23.086,942 118.746,944 161.926,945 353.133,946 161.926,947 148.237,949 0.586,950 0.314,951 0.162,952 0.09,953 22,954 11,955 0.149,956 10,958 1,959 4.297,960 308.801,962 18,963 168.974,967 1,968 26.207,969 11.349,970 7.296,972 161.926,973 13.71,974 4.215,978 1.239,980 42.683,981 663.296,982 46,986 -3.479,987 35.095,989 3.809,991 -0.829,994 65.723,995 73.112,996 0.261,997 0.617,998 0.833,999 0.907,1000 0.918,1001 0.918,1002 5.112,1003 1.585,1004 6.033,1005 5.026,1006 4.635,1007 5.081,1008 3.528,1009 6.903,1010 4.53,1011 6.336,1012 1.472,1013 7.642,1014 3.671,1015 4.511,1016 5.121,1017 2.243,1018 8.247,1019 4.294,1020 7.677,1021 1.388,1022 9.378,1023 3.348,1024 6.354,1025 7.269,1026 5.3,1027 11.259,1028 6.111,1029 9.057,1030 1.153,1031 11.193,1032 3.134,1033 7.031,1034 8.131,1035 4.112,1036 13.386,1037 6.658,1038 10.475,1039 1,1040 13.058,1041 2.825,1042 8.444,1043 9.865,1044 7.327,1045 16.038,1046 8.033,1047 11.92,1048 1,1049 14.956,1050 2.476,1051 9.444,1052 11.094,1053 5.889,1054 18.416,1055 8.915,1056 13.387,1057 0.779,1058 16.876,1059 2.136,1060 10.716,1061 12.694,1062 9.43,1063 20.97,1064 10.133,1065 3.45,1066 0.087,1067 18.812,1068 1.67,1069 11.845,1070 14.093,1071 7.625,1072 23.433,1073 11.162,1074 3.322,1075 12.659,1076 20.758,1077 0.211,1078 13.072,1079 15.649,1080 11.561,1081 25.959,1082 12.326,1083 2.98,1084 12.113,1085 22.713,1086 4.705,1087 14.253,1088 17.127,1089 9.342,1090 28.454,1091 13.419,1092 2.352,1093 10.189,1094 24.673,1095 3.597,1096 15.469,1097 18.671,1098 13.706,1099 30.973,1100 14.567,1101 2.261,1102 7.314,1103 26.638,1104 3.505,1105 16.67,1106 20.185,1107 11.051,1108 33.482,1109 15.691,1110 2.22,1111 6.405,1112 28.607,1113 3.23,1114 17.885,1115 21.728,1116 15.858,1117 36.001,1118 16.837,1119 1.746,1120 5.185,1121 30.578,1122 2.731,1123 19.097,1124 23.259,1125 12.755,1126 38.517,1127 17.976,1128 15273,1129 27405,1130 22.94,1131 42.256,1132 54.237,1133 56.944,1134 54.709,1135 53.759,1136 53.59,1137 66.978,1138 16.854,1139 156.727,1140 50.966,1141 5.846,1142 7.191,1143 7.142,1144 5.476,1145 5.45,1146 7.705,1147 5.9,1148 20.377,1149 5.246,1150 20.854,1151 1.507,1152 1.582,1153 1.52,1154 1.493,1155 1.489,1156 1.861,1157 0.468,1158 4.354,1159 1.416,1160 4.087,1161 4.064,1162 4.736,1163 4.09,1164 7.716,1165 3.992,1166 3.957,1167 3.977,1168 3.901,1169 3.846,1170 7.474,1171 3.847,1172 3.765,1173 3.806,1174 3.737,1175 3.647,1176 6.999,1177 3.642,1178 3.722,1179 3.747,1180 3.653,1181 3.602,1182 6.351,1183 3.566,1184 3.632,1185 3.637,1186 3.582,1187 3.52,1188 4.946,1189 3.494,1190 3.548,1191 3.592,1192 3.429,1193 3.398,1194 4.841,1195 3.394,1196 3.324,1197 3.353,1198 3.213,1199 3.111,1200 4.702,1201 3.129,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.389,1207 2.791,1208 0.135,1209 0.144,1210 0.204,1211 0.122,1212 0.096,1213 4.846,1214 0.131,1215 5.191,1216 0.082,1217 7.34,1218 0.352,1219 4.382,1220 0.09,1221 3.45,1222 4.705,1223 2.95,1224 12.659,1225 3.246,1226 1.968,1227 1.986,1228 2.048,1229 2.064,1230 1.362,1231 2.079,1232 1.904,1233 1.875,1234 1.985,1235 2.019,1236 1.216,1237 2.04,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.142,1243 1.906,1244 1.668,1245 1.637,1246 1.872,1247 1.855,1248 1.088,1249 1.867,1250 1.548,1251 1.547,1252 1.772,1253 1.731,1254 0.935,1255 1.751,1256 1.526,1257 1.482,1258 1.587,1259 1.666,1260 0.813,1261 1.721,1262 1.252,1263 1.216,1264 1.494,1265 1.505,1266 0.647,1267 1.495,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.29,1276 5.624,1278 7.144,1280 8.754,1282 10.413,1284 4.731,1289 8.799,1290 1.575,1292 18.573,1294 -1.109,1296 -0.996,1300 40.114,1301 102.126,1302 241.531,1303 326.17,1304 355.189,1305 359.189,1306 359.189,1307 108.02,1308 7.494,1309 112.02,1310 120.4,1311 18,1312 12.692,1313 4.087,1314 3.459,1315 67.081,1316 152,1317 182,1318 0.214,1319 250.879,1320 452.1,1321 603.904,1322 17643,1324 24.769,1325 0.729,1326 0.6,1327 25.019,1328 20.403,1329 16.076,1330 0.447,1331 0.361,1332 11.093,1333 14.635,1334 10.568,1335 8.772,1336 16.971,1337 12.987,1338 15.574,1339 0.305,1340 0.212,1341 16.942,1342 10.816,1343 11.075,1344 0.182,1345 0.109,1346 11.821,1347 6.629,1348 9.046,1349 0.117,1350 0.06,1351 9.739,1352 4.602,1353 7.189,1354 0.075,1355 0.033,1356 7.697,1357 3.122,1358 0.335,1359 110.543,1360 0.209,1361 31.442,1362 0.588,1363 174,1364 583.068,1365 229.618,1366 562.257,1367 736.33,1368 518,1369 199,1370 490.777,1371 261.719,1372 522.296,1373 755.24,1374 485,1375 7.347} {0 CHEMBL350595,1 1.417,2 12.613,3 4.145,4 17.179,5 118.669,6 6.864,7 0.364,8 4.196,9 4.303,10 3.679,11 3.701,12 5.262,13 3.672,14 4.762,15 4.923,16 4.039,17 4.071,18 5.844,19 4.025,20 5.052,21 5.233,22 4.103,23 4.229,24 6.049,25 4.154,26 5.19,27 5.426,28 4.037,29 4.253,30 6.081,31 4.155,32 5.085,33 5.291,34 4.081,35 4.3,36 6.001,37 4.194,38 5.25,39 5.504,40 4.068,41 4.33,42 6.094,43 4.205,44 5.157,45 5.389,46 4.002,47 4.289,48 6.046,49 4.164,50 5.141,51 5.4,52 3.908,53 4.243,54 6.004,55 4.098,56 0.02,57 0.803,58 13.976,59 6.371,60 13.903,61 8.146,62 0.373,63 1.282,64 26.45,65 10.242,66 56.699,67 13.48,68 0.59,69 1.605,70 36.514,71 13.128,72 67.323,73 17.301,74 0.747,75 1.738,76 43.491,77 14.4,78 81.539,79 19.51,80 0.247,81 1.733,82 36.79,83 14.307,84 53.003,85 19.494,86 0.574,87 1.92,88 45.342,89 15.715,90 73.368,91 22.12,92 0.514,93 1.782,94 40.785,95 14.725,96 68.615,97 20.337,98 0.396,99 1.767,100 40.138,101 14.36,102 62.168,103 20.492,104 32,105 45,106 0.23,107 0.573,108 0.787,109 0.853,110 0.865,111 0.865,112 3.472,113 0.968,114 -4,115 -3.95,116 -3.74,118 40.3,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 10,175 1,177 1,180 13,181 1,185 2,186 11,191 1,194 9,195 1,197 1,198 7,203 1,206 9,207 1,210 12,215 1,218 12,219 1,221 1,222 11,227 1,229 9,230 1,233 1,234 10,239 1,242 13,247 4,248 2,255 12,256 1,258 2,259 5,262 2,264 1,267 13,268 1,270 1906,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 18.538,277 23.172,278 12.406,279 20.788,280 16.32,281 16.32,282 16.32,283 16.32,284 16.32,285 13.55,286 27.077,287 5.962,288 16.811,289 4.537,290 2.418,291 1.097,292 0.694,293 0.617,294 0.617,295 4.152,299 1,300 1,301 813,302 4.243,306 338.259,313 2.092,314 32.104,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 67.5,326 391,327 4.427,328 3.802,329 7.315,330 4.361,331 3.407,332 3.662,333 2.341,334 12.546,335 3.242,336 4.142,337 3.597,338 6.5,339 3.953,340 2.984,341 3.583,342 1.465,343 10.191,344 2.889,345 3.956,346 3.333,347 5.443,348 3.547,349 2.564,350 3.324,351 0.86,352 7.13,353 2.52,354 3.567,355 2.792,356 5.246,357 3.257,358 2.266,359 2.736,360 0.811,361 6.405,362 2.238,363 3.516,364 2.515,365 4.965,366 3.218,367 2.223,368 2.698,370 5.743,371 2.193,372 3.363,373 2.355,374 4.679,375 3.012,376 2.045,377 2.61,379 5.183,380 1.965,381 3.115,382 2.159,383 4.658,384 2.694,385 1.718,386 2.201,388 4.841,389 1.67,390 2.85,391 1.932,392 4.127,393 2.514,394 1.557,395 1.929,397 3.652,398 1.489,399 2.604,400 1.86,401 3.637,402 2.438,403 1.457,404 1.596,406 3.137,407 1.419,408 2.5,409 1.404,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.217,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1,428 3.263,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.247,438 1.773,439 0.779,440 0.833,442 1.672,443 0.769,444 1.38,445 0.743,446 3.012,447 1.096,448 0.162,449 0.187,451 0.389,452 0.149,453 1.264,454 0.553,455 2.687,456 1.018,457 0.048,458 0.055,460 0.112,461 0.046,462 14.567,463 0.47,464 0.824,465 0.027,466 34,467 1.097,468 15,469 0.484,470 19,471 0.613,472 32.456,473 1.047,474 35.233,475 0.568,476 26.611,477 0.858,478 6.688,479 0.216,480 8.16,481 0.263,482 0.149,483 0.034,484 0.24,487 0.829,488 1.299,489 0.867,490 1.229,491 0.794,492 1.081,493 0.947,494 1.127,495 0.919,496 1.1,497 0.566,498 1.017,499 1.278,500 1.169,501 1.159,502 1.169,503 0.992,504 1.15,505 1.438,506 0.782,507 1.056,508 0.794,509 0.894,510 0.851,511 0.879,512 1.255,513 1.047,514 1.246,515 0.596,516 1.188,517 0.976,518 0.911,519 0.947,520 0.915,521 0.622,522 0.922,523 1.032,524 1.043,525 1.073,526 1.04,527 0.798,528 1.063,529 0.805,530 1.008,531 0.981,532 1.017,533 0.735,534 1.022,535 7,536 0.21,537 3.556,538 1.875,539 1.667,540 1.174,541 0.708,542 0.53,543 0.381,544 0.201,545 12491,546 33393,547 2.004,548 50,549 7,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.74,559 1.869,560 3.586,561 -0.393,563 1,567 87.874,568 1.417,569 3.536,570 4.857,571 5.26,572 5.337,573 5.337,574 3.106,575 4.374,576 4.914,577 3.782,578 1758.84,579 8.614,580 25565.2,582 1,585 369.16,586 1.525,587 4.873,588 0.212,589 0.007,590 0.079,591 0.042,592 0.039,593 0.026,594 0.016,595 0.013,596 0.01,597 0.006,598 0.45,599 0.33,600 1,601 1.543,602 162.053,603 -0.027,604 -0.097,605 0.045,606 -0.057,607 -0.085,608 -0.003,609 0.119,610 -0.036,611 0.055,612 -0.035,613 0.176,614 -0.004,615 -0.024,616 -0.146,617 -0.151,618 -0.151,619 -0.091,620 -0.171,621 -0.168,622 0.164,623 -0.025,624 0.158,625 -0.085,626 0.1,627 -0.045,628 -0.218,629 -0.101,630 -0.204,631 0.005,632 -0.169,633 -0.044,634 0.059,635 0.035,636 0.049,637 -0.006,638 0.056,639 -0.082,640 -0.053,641 -0.098,642 -0.046,643 -0.075,644 -0.073,645 -0.042,646 -0.017,647 -0.026,648 -0.041,649 -0.048,650 -0.029,651 2.458,652 3.686,653 0.581,654 37.95,655 1,656 1.125,657 2.769,658 7.665,659 0.64,660 3.526,661 3.829,662 4.007,663 4.22,664 4.466,665 4.511,666 4.644,667 4.7,668 4.736,669 4.771,670 7.363,671 0.605,672 425.57,673 3.526,674 5.056,675 5.872,676 6.737,677 7.58,678 8.454,679 9.312,680 10.193,681 11.06,682 11.945,683 1.6,693 1,699 8,700 1,704 3,706 12,722 1,724 62,726 14,727 1,728 33,730 64,731 25,733 11,734 2,735 4,739 3,740 3,745 3,748 1,749 1,751 4,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 31,773 6,774 1,775 6,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 31,845 1,846 4,848 3,850 3,852 1,862 8.1,864 1,865 1,866 2,867 1,869 16.583,870 11.65,871 6.847,872 3.683,874 1.821,875 1.25,876 0.904,877 8.108,878 9.091,879 3.738,880 4.22,881 4.585,882 5.014,883 5.487,884 5.421,885 5.654,886 5.882,887 6.012,888 6.224,889 0.889,890 45,891 11.514,893 4.805,894 7.772,895 22.016,897 17.805,899 2.272,900 70.417,903 1,904 353.133,905 145.46,906 16.786,908 100.828,911 145.46,912 453.961,913 16.786,914 26.476,915 12.196,916 76.17,917 131.066,918 40.709,919 11.771,920 317.82,922 353.133,923 162.246,924 100.828,927 270.735,928 161.226,929 22,930 0.36,931 56.766,932 69.382,933 35.738,935 353.133,936 117.613,937 145.46,940 353.493,941 24.72,942 120.38,944 117.613,945 353.133,946 117.613,947 145.46,949 0.576,950 0.31,951 0.157,952 0.092,953 19,954 9,955 0.141,956 9,958 1,959 4.195,960 265.964,962 18,963 147.58,968 23.303,969 10.786,970 6.812,972 117.613,973 15.393,974 4.251,978 2.932,980 42.683,981 616.207,982 41,987 10.686,989 3.92,991 -0.791,994 61.992,995 69.773,996 0.238,997 0.594,998 0.816,999 0.883,1000 0.896,1001 0.896,1002 4.977,1003 1.557,1004 5.872,1005 4.841,1006 4.511,1007 4.905,1008 2.812,1009 6.678,1010 4.448,1011 6.152,1012 1.457,1013 7.434,1014 3.652,1015 4.205,1016 4.559,1017 2.243,1018 7.84,1019 4.107,1020 7.436,1021 1,1022 9.117,1023 3.137,1024 6.138,1025 6.887,1026 3.888,1027 10.866,1028 6.002,1029 8.75,1030 1,1031 10.878,1032 2.477,1033 6.661,1034 7.256,1035 4.112,1036 12.907,1037 6.474,1038 10.095,1039 1,1040 12.695,1041 2.275,1042 8.113,1043 9.13,1044 5.312,1045 15.553,1046 7.888,1047 11.462,1048 0.779,1049 14.551,1050 2.136,1051 9.014,1052 9.839,1053 5.889,1054 17.902,1055 8.73,1056 12.846,1057 0.162,1058 16.436,1059 1.672,1060 10.293,1061 11.503,1062 6.893,1063 20.448,1064 9.967,1065 3.407,1066 0.048,1067 18.343,1068 0.389,1069 11.367,1070 12.404,1071 7.625,1072 22.903,1073 10.981,1074 2.984,1075 12.546,1076 20.267,1077 0.112,1078 12.588,1079 13.946,1080 8.544,1081 25.424,1082 12.155,1083 2.564,1084 10.191,1085 22.203,1086 3.662,1087 13.737,1088 14.969,1089 9.342,1090 27.919,1091 13.246,1092 2.266,1093 7.13,1094 24.149,1095 3.583,1096 14.944,1097 16.431,1098 10.223,1099 30.436,1100 14.403,1101 2.223,1102 6.405,1103 26.102,1104 3.324,1105 16.127,1106 17.535,1107 11.051,1108 32.947,1109 15.53,1110 2.045,1111 5.743,1112 28.062,1113 2.736,1114 17.333,1115 18.943,1116 11.915,1117 35.466,1118 16.685,1119 1.718,1120 5.183,1121 30.026,1122 2.698,1123 18.532,1124 20.102,1125 12.755,1126 37.984,1127 17.83,1128 12376,1129 20335,1130 21.553,1131 39.699,1132 49.272,1133 49.782,1134 49.612,1135 48.414,1136 48.423,1137 59.098,1138 10.954,1139 135.781,1140 46.895,1141 5.427,1142 5.802,1143 7.117,1144 5.434,1145 5.407,1146 6.662,1147 3.925,1148 19.977,1149 5.242,1150 16.833,1151 1.493,1152 1.509,1153 1.503,1154 1.467,1155 1.467,1156 1.791,1157 0.332,1158 4.115,1159 1.421,1160 3.99,1161 4.016,1162 3.92,1163 3.879,1164 7.474,1165 3.882,1166 3.902,1167 3.93,1168 3.836,1169 3.822,1170 6.351,1171 3.821,1172 3.76,1173 3.804,1174 3.663,1175 3.645,1176 4.952,1177 3.641,1178 3.7,1179 3.736,1180 3.597,1181 3.539,1182 4.861,1183 3.546,1184 3.557,1185 3.603,1186 3.437,1187 3.401,1188 4.716,1189 3.399,1190 3.326,1191 3.355,1192 3.217,1193 3.113,1194 4.394,1195 3.131,1196 3.158,1197 3.236,1198 2.976,1199 3.003,1200 4.326,1201 2.985,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.066,1207 2.791,1208 0.134,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.427,1214 0.111,1215 3.802,1216 0.071,1217 7.315,1218 0.38,1219 4.361,1220 0.098,1221 3.407,1222 3.662,1223 2.341,1224 12.546,1225 3.242,1226 1.917,1227 1.892,1228 2.051,1229 2.059,1230 1.362,1231 2.054,1232 1.895,1233 1.866,1234 2.026,1235 1.996,1236 1.155,1237 2.006,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.128,1243 1.906,1244 1.665,1245 1.626,1246 1.879,1247 1.851,1248 1.073,1249 1.859,1250 1.536,1251 1.487,1252 1.772,1253 1.729,1254 0.935,1255 1.744,1256 1.253,1257 1.217,1258 1.517,1259 1.507,1260 0.647,1261 1.496,1262 1.179,1263 1.105,1264 1.494,1265 1.397,1266 0.584,1267 1.442,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.205,1276 5.509,1278 7.002,1280 8.584,1282 10.216,1284 5.963,1289 8.784,1290 1.882,1292 18.745,1294 -0.652,1296 -0.696,1300 37.497,1301 87.874,1302 219.238,1303 301.121,1304 326.141,1305 330.896,1306 330.896,1307 73.051,1308 7.27,1309 77.88,1310 77.88,1311 18,1312 12.482,1313 3.907,1314 3.17,1315 58.015,1316 130,1317 158,1318 0.21,1319 231.755,1320 416.01,1321 557.243,1322 13176,1324 22.269,1325 0.718,1326 0.592,1327 22.269,1328 18.361,1329 14.848,1330 0.45,1331 0.323,1332 10.502,1333 14.271,1334 10.144,1335 8.452,1336 14.848,1337 10.644,1338 13.682,1339 0.304,1340 0.187,1341 13.682,1342 8.426,1343 10.215,1344 0.189,1345 0.098,1346 10.215,1347 5.273,1348 8.056,1349 0.12,1350 0.054,1351 8.056,1352 3.587,1353 6.683,1354 0.078,1355 0.029,1356 6.683,1357 2.495,1358 0.33,1359 93.23,1360 0.215,1361 29.357,1362 0.574,1363 156,1364 468.737,1365 174.659,1366 438.081,1367 583.73,1368 410,1369 177,1370 412.052,1371 195.331,1372 413.256,1373 600.1,1374 386,1375 6.444} {0 CHEMBL350816,1 1.485,2 12.242,3 4.024,4 16.189,5 124.406,6 7.152,7 0.343,8 4.215,9 4.318,10 3.731,11 3.731,12 5.341,13 3.709,14 4.773,15 4.929,16 4.09,17 4.102,18 5.88,19 4.064,20 5.068,21 5.242,22 4.189,23 4.272,24 6.122,25 4.211,26 5.219,27 5.447,28 4.155,29 4.302,30 6.206,31 4.222,32 5.121,33 5.314,34 4.182,35 4.364,36 6.097,37 4.276,38 5.287,39 5.526,40 4.22,41 4.426,42 6.233,43 4.317,44 5.266,45 5.492,46 4.117,47 4.378,48 6.312,49 4.258,50 5.251,51 5.534,52 3.973,53 4.284,54 6.093,55 4.145,56 0.036,57 0.827,58 13.379,59 6.301,60 18.269,61 7.9,62 0.402,63 1.313,64 25.81,65 10.277,66 59.489,67 13.262,68 0.616,69 1.666,70 36.094,71 13.317,72 74.055,73 17.183,74 0.853,75 1.83,76 44.687,77 14.756,78 103.164,79 19.698,80 0.381,81 1.83,82 37.452,83 14.502,84 65.956,85 19.312,86 0.519,87 2.092,88 46.056,89 16.653,90 85.82,91 23.236,92 0.707,93 2.04,94 45.239,95 15.694,96 121.733,97 21.689,98 0.702,99 1.908,100 46.916,101 15.573,102 92.877,103 22.329,104 46,105 48,106 0.238,107 0.599,108 0.808,109 0.872,110 0.882,111 0.882,112 3.532,113 0.946,114 -3.64,115 -3.61,116 -3.44,118 41.3,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 3,142 1,143 2,154 2,163 1,167 1,168 12,169 1,171 1,172 11,175 1,177 1,180 13,181 1,185 2,186 12,191 1,194 8,195 1,197 2,198 10,203 1,206 10,207 1,210 12,215 1,218 12,219 1,221 1,222 14,227 1,229 11,230 1,233 3,234 12,239 1,242 11,247 2,248 2,255 12,256 1,258 2,259 7,262 2,264 1,267 15,268 1,270 2128,271 21.877,272 21.877,273 21.877,274 21.877,275 21.877,276 19.816,277 25.191,278 13.12,279 22.16,280 17.236,281 17.236,282 17.236,283 17.236,284 17.236,285 14.189,286 29.593,287 6.189,288 17.733,289 4.493,290 2.243,291 0.943,292 0.544,293 0.48,294 0.48,295 4.211,299 1,300 1,301 835,302 4.416,306 357.904,313 2.219,314 38.94,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 72,326 404,327 4.465,328 4.077,329 7.319,330 4.367,331 3.415,332 3.966,333 2.341,334 12.568,335 3.247,336 4.241,337 3.799,338 6.501,339 3.962,340 2.994,341 3.59,342 2.035,343 10.198,344 2.896,345 4.111,346 3.597,347 6.15,348 3.806,349 2.823,350 3.338,351 1.465,352 9.043,353 2.774,354 3.598,355 3.337,356 5.25,357 3.257,358 2.266,359 2.851,360 0.86,361 6.411,362 2.237,363 3.566,364 2.939,365 4.956,366 3.218,367 2.223,368 2.732,369 0.811,370 5.79,371 2.193,372 3.513,373 2.509,374 4.893,375 3.116,376 2.121,377 2.674,379 5.197,380 2.108,381 3.177,382 2.343,383 4.659,384 2.736,385 1.769,386 2.205,388 5.163,389 1.702,390 3.109,391 2.241,392 4.294,393 2.57,394 1.607,395 2.097,397 3.968,398 1.543,399 2.852,400 1.956,401 4.119,402 2.448,403 1.484,404 1.92,406 3.631,407 1.423,408 2.756,409 1.862,410 3.637,411 2.389,412 1.412,413 1.58,415 3.136,416 1.371,417 2.583,418 1.662,419 3.48,420 1.958,421 1,422 1.5,424 2.477,425 0.955,426 2.5,427 1.4,428 3.277,429 1.913,430 1,431 1.162,433 2.136,434 0.903,435 2.169,436 1.216,437 3.247,438 1.772,439 0.779,440 1.136,442 1.672,443 0.769,444 1.918,445 1,446 3.037,447 1.626,448 0.667,449 0.832,451 1.198,452 0.637,453 1.407,454 0.741,455 2.862,456 1.038,457 0.074,458 0.085,460 0.172,461 0.07,462 15.467,463 0.469,464 0.875,465 0.027,466 38.25,467 1.159,468 18,469 0.545,470 20.25,471 0.614,472 34.486,473 1.045,474 36.733,475 0.583,476 31.203,477 0.946,478 7.419,479 0.225,480 8.378,481 0.254,482 0.166,483 0.032,484 0.259,487 0.819,488 1.261,489 0.828,490 1.196,491 0.696,492 1.045,493 0.932,494 1.076,495 0.881,496 1.067,497 0.51,498 0.981,499 1.244,500 1.161,501 1.114,502 1.168,503 0.863,504 1.132,505 1.405,506 0.782,507 1.02,508 0.79,509 0.821,510 0.833,511 1.014,512 1.172,513 1.084,514 1.175,515 0.699,516 1.15,517 0.839,518 1.048,519 0.931,520 1.039,521 0.586,522 1.008,523 1.038,524 1.09,525 1.187,526 1.141,527 1.056,528 1.18,529 0.936,530 0.721,531 0.858,532 0.721,533 0.674,534 0.765,535 7.5,536 0.231,537 4,538 2.188,539 1.978,540 1.611,541 0.709,542 0.514,543 0.46,544 0.331,545 14293,546 41645,547 1.987,548 47.6,549 7,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.757,559 1.842,560 3.541,561 -0.382,563 1,567 93.541,568 1.485,569 3.734,570 5.035,571 5.433,572 5.497,573 5.497,574 3.106,575 4.802,576 5.007,577 3.79,578 2001.16,579 8.803,580 30280.8,582 1,585 376.569,586 1.573,587 4.957,588 0.214,589 0.006,590 0.083,591 0.044,592 0.04,593 0.032,594 0.014,595 0.012,596 0.011,597 0.008,598 0.465,599 0.33,600 1,601 1.609,602 175.37,603 -0.034,604 -0.091,605 0.039,606 -0.054,607 -0.043,608 -0.003,609 0.109,610 -0.013,611 0.066,612 -0.009,613 0.139,614 0.019,615 -0.023,616 -0.155,617 -0.127,618 -0.148,619 -0.064,620 -0.156,621 -0.138,622 0.157,623 0.013,624 0.17,625 -0.028,626 0.125,627 -0.105,628 -0.144,629 -0.139,630 -0.142,631 -0.05,632 -0.147,633 -0.006,634 -0.067,635 0.034,636 -0.047,637 0.027,638 -0.007,639 -0.062,640 -0.083,641 -0.207,642 -0.168,643 -0.113,644 -0.207,645 -0.063,646 0.193,647 0.145,648 0.227,649 -0.026,650 0.226,651 2.476,652 3.711,653 0.545,654 39.983,655 1.003,656 1.125,657 2.406,658 5.79,659 0.65,660 3.584,661 3.892,662 4.094,663 4.317,664 4.564,665 4.644,666 4.682,667 4.771,668 4.852,669 4.927,670 7.491,671 0.619,672 450.58,673 3.584,674 5.118,675 5.943,676 6.815,677 7.667,678 8.548,679 9.414,680 10.302,681 11.175,682 12.067,683 3.2,692 1,693 1,699 7,700 1,704 4,706 12,707 1,722 1,724 63,726 15,727 1,728 35,730 65,731 26,733 11,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,752 1,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 30,773 7,774 1,775 7,779 2,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 33,845 1,846 4,848 3,850 3,852 1,853 1,858 1,860 1,862 7.9,864 1,865 1,866 2,867 1,869 17.917,870 12.017,871 7.375,872 3.747,874 2.107,875 1.284,876 0.903,877 8.494,878 9.532,879 3.829,880 4.304,881 4.727,882 5.187,883 5.646,884 5.748,885 5.829,886 6.013,887 6.177,888 6.461,889 1,890 50,891 12.24,893 5.14,894 7.881,895 23.125,897 18.653,899 2.381,900 78.583,903 1,904 341.362,905 155.772,906 47.845,908 100.828,911 155.772,912 442.19,913 47.845,914 26.476,915 12.196,916 66.693,917 147.667,918 74.954,919 11.771,920 306.049,922 341.362,923 203.616,924 100.828,927 258.964,928 161.226,929 22,930 0.36,931 87.826,932 79.693,933 35.738,935 341.362,936 148.673,937 155.772,940 341.722,941 27.906,942 110.904,943 16.602,944 148.673,945 341.362,946 148.673,947 155.772,949 0.575,950 0.319,951 0.166,952 0.095,953 20,954 10,955 0.138,956 9,958 1,959 4.276,960 293.599,962 18,963 164.465,968 24.766,969 11.317,970 6.805,972 148.673,973 12.811,974 4.239,978 2.89,980 42.683,981 645.806,982 45,987 10.711,989 3.867,991 -0.81,994 63.211,995 70.856,996 0.248,997 0.625,998 0.842,999 0.909,1000 0.92,1001 0.92,1002 5.081,1003 1.607,1004 5.948,1005 5.163,1006 4.575,1007 4.99,1008 3.216,1009 6.772,1010 4.513,1011 6.274,1012 1.484,1013 7.522,1014 3.968,1015 4.29,1016 4.691,1017 2.243,1018 7.941,1019 4.201,1020 7.57,1021 1.412,1022 9.215,1023 3.631,1024 6.217,1025 7.016,1026 4.42,1027 10.976,1028 6.087,1029 8.895,1030 1,1031 10.983,1032 3.136,1033 6.758,1034 7.479,1035 4.112,1036 12.999,1037 6.584,1038 10.251,1039 1,1040 12.803,1041 2.477,1042 8.202,1043 9.326,1044 5.842,1045 15.642,1046 7.988,1047 11.628,1048 0.779,1049 14.658,1050 2.136,1051 9.113,1052 10.163,1053 5.889,1054 17.973,1055 8.844,1056 13.023,1057 0.667,1058 16.54,1059 1.672,1060 10.386,1061 11.792,1062 7.361,1063 20.512,1064 10.073,1065 3.415,1066 0.074,1067 18.443,1068 1.198,1069 11.461,1070 12.837,1071 7.625,1072 22.955,1073 11.09,1074 2.994,1075 12.568,1076 20.36,1077 0.172,1078 12.676,1079 14.351,1080 8.931,1081 25.471,1082 12.258,1083 2.823,1084 10.198,1085 22.289,1086 3.966,1087 13.823,1088 15.519,1089 9.342,1090 27.959,1091 13.348,1092 2.266,1093 9.043,1094 24.228,1095 3.59,1096 15.025,1097 16.968,1098 10.535,1099 30.473,1100 14.499,1101 2.223,1102 6.411,1103 26.174,1104 3.338,1105 16.205,1106 18.211,1107 11.051,1108 32.981,1109 15.622,1110 2.121,1111 5.79,1112 28.127,1113 2.851,1114 17.407,1115 19.623,1116 12.161,1117 35.499,1118 16.771,1119 1.769,1120 5.197,1121 30.085,1122 2.732,1123 18.603,1124 20.913,1125 12.755,1126 38.017,1127 17.912,1128 14239,1129 24400,1130 22.652,1131 40.943,1132 53.363,1133 55.468,1134 53.075,1135 51.296,1136 51.265,1137 63.331,1138 15.023,1139 145.519,1140 49.66,1141 5.465,1142 6.077,1143 7.12,1144 5.443,1145 5.415,1146 6.966,1147 4.376,1148 20.05,1149 5.247,1150 19.076,1151 1.525,1152 1.585,1153 1.516,1154 1.466,1155 1.465,1156 1.809,1157 0.429,1158 4.158,1159 1.419,1160 3.998,1161 4.022,1162 3.938,1163 3.898,1164 7.474,1165 3.902,1166 3.917,1167 3.943,1168 3.86,1169 3.831,1170 6.82,1171 3.833,1172 3.76,1173 3.804,1174 3.665,1175 3.645,1176 6.351,1177 3.641,1178 3.701,1179 3.736,1180 3.598,1181 3.539,1182 4.945,1183 3.546,1184 3.556,1185 3.603,1186 3.436,1187 3.4,1188 4.837,1189 3.398,1190 3.327,1191 3.367,1192 3.232,1193 3.166,1194 4.697,1195 3.172,1196 3.301,1197 3.351,1198 3.211,1199 3.111,1200 4.392,1201 3.128,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.322,1207 2.791,1208 0.128,1209 0.116,1210 0.209,1211 0.125,1212 0.098,1213 4.465,1214 0.113,1215 4.077,1216 0.067,1217 7.319,1218 0.359,1219 4.367,1220 0.093,1221 3.415,1222 3.966,1223 2.341,1224 12.568,1225 3.247,1226 1.927,1227 1.907,1228 2.049,1229 2.06,1230 1.362,1231 2.054,1232 1.9,1233 1.871,1234 2.021,1235 2.003,1236 1.158,1237 2.008,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.131,1243 1.906,1244 1.664,1245 1.625,1246 1.879,1247 1.851,1248 1.074,1249 1.859,1250 1.535,1251 1.486,1252 1.772,1253 1.728,1254 0.935,1255 1.744,1256 1.285,1257 1.23,1258 1.537,1259 1.507,1260 0.647,1261 1.498,1262 1.252,1263 1.213,1264 1.494,1265 1.467,1266 0.588,1267 1.489,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.263,1276 5.572,1278 7.074,1280 8.668,1282 10.314,1284 5.711,1289 8.801,1290 1.725,1292 18.764,1294 -0.893,1296 -0.859,1298 9.455,1299 2.171,1300 38.992,1301 93.541,1302 235.236,1303 317.185,1304 342.304,1305 346.304,1306 346.304,1307 87.719,1308 7.425,1309 101.67,1310 101.67,1311 18,1312 12.599,1313 4,1314 3.459,1315 63.965,1316 144,1317 174,1318 0.213,1319 242.287,1320 439.03,1321 582.94,1322 16054,1324 23.847,1325 0.723,1326 0.583,1327 23.847,1328 19.231,1329 15.797,1330 0.451,1331 0.315,1332 10.885,1333 15.18,1334 10.517,1335 8.761,1336 15.797,1337 11.034,1338 14.403,1339 0.3,1340 0.182,1341 14.403,1342 8.725,1343 10.98,1344 0.186,1345 0.093,1346 10.98,1347 5.502,1348 8.803,1349 0.119,1350 0.051,1351 8.803,1352 3.767,1353 7.14,1354 0.075,1355 0.028,1356 7.14,1357 2.626,1358 0.334,1359 99.276,1360 0.21,1361 30.741,1362 0.585,1363 166,1364 520.382,1365 185.353,1366 491.931,1367 651.02,1368 458,1369 190,1370 456.461,1371 209.329,1372 460.158,1373 666.57,1374 429,1375 7.301} {0 CHEMBL350961,1 1.635,2 18.627,3 7.542,4 56.877,5 204.059,6 7.938,7 0.491,8 4.609,9 4.72,10 4.264,11 4.195,12 5.683,13 4.156,14 5.162,15 5.333,16 4.652,17 4.6,18 6.176,19 4.539,20 5.411,21 5.608,22 4.792,23 4.776,24 6.388,25 4.694,26 5.488,27 5.684,28 4.887,29 4.846,30 6.494,31 4.755,32 5.506,33 5.683,34 4.849,35 4.896,36 6.495,37 4.801,38 5.619,39 5.816,40 4.936,41 4.988,42 6.576,43 4.863,44 5.682,45 5.911,46 4.773,47 4.957,48 6.565,49 4.805,50 5.652,51 5.919,52 4.588,53 4.819,54 6.47,55 4.658,56 0.085,57 1.34,58 17.718,59 8.522,60 15.291,61 10.785,62 0.406,63 2.229,64 37.073,65 14.465,66 41.007,67 18.645,68 0.54,69 2.783,70 53.766,71 18.988,72 59.132,73 24.11,74 0.64,75 3.02,76 60.949,77 20.518,78 72.925,79 25.926,80 0.621,81 3.053,82 61.554,83 22.231,84 68.356,85 26.839,86 0.778,87 3.341,88 70.455,89 25.172,90 76.489,91 32.008,92 0.759,93 3.462,94 76.379,95 26.962,96 82.625,97 35.898,98 0.741,99 3.257,100 76.046,101 25.27,102 81.54,103 34.881,104 35,105 80,106 0.239,107 0.568,108 0.79,109 0.885,110 0.901,111 0.901,112 3.954,113 0.978,114 -6.9,115 -6.7,116 -6.21,118 42.9,119 3,120 4,124 5,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 16,171 3,172 17,180 19,185 2,186 20,194 13,197 2,198 27,206 18,209 2,210 14,218 23,221 4,222 12,229 29,233 5,234 11,242 20,246 1,247 15,255 16,259 18,267 13,270 6379,271 35.128,272 35.128,273 35.128,274 35.128,275 35.128,276 31.221,277 39.028,278 21.042,279 36.103,280 28.178,281 28.178,282 28.178,283 28.178,284 28.178,285 22.17,286 50.802,287 9.982,288 29.717,289 4.873,290 2.625,291 1.11,292 0.459,293 0.355,294 0.355,295 4.672,297 1,301 2097,302 4.743,305 189.575,306 580.932,307 140.435,309 157.896,310 395.095,313 3.007,314 41.106,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.47,325 108.833,326 950,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.392,337 3.681,338 6.687,339 4.017,340 3.032,341 4.001,342 2.373,343 10.738,344 2.988,345 4.361,346 3.625,347 6.508,348 3.957,349 3.012,350 3.986,351 0.995,352 10.225,353 2.832,354 4.232,355 3.245,356 6.358,357 3.833,358 2.89,359 3.837,360 0.795,361 9.645,362 2.711,363 3.934,364 3.207,365 5.772,366 3.575,367 2.607,368 3.48,369 0.359,370 7.921,371 2.531,372 3.661,373 3.005,374 5.639,375 3.35,376 2.373,377 2.976,378 0.286,379 7.383,380 2.297,381 3.655,382 2.852,383 5.519,384 3.298,385 2.346,386 2.866,388 7.054,389 2.224,390 3.568,391 2.737,392 5.221,393 3.263,394 2.324,395 2.825,397 6.305,398 2.166,399 3.45,400 2.539,401 5.029,402 3.042,403 2.077,404 2.678,406 6.066,407 2,408 3.21,409 2.288,410 4.977,411 2.837,412 1.902,413 2.38,415 5.455,416 1.767,417 3.11,418 2.077,419 4.89,420 2.714,421 1.786,422 2.275,424 5.289,425 1.657,426 2.939,427 1.996,428 4.631,429 2.677,430 1.736,431 2.059,433 4.487,434 1.608,435 2.869,436 1.87,437 4.184,438 2.48,439 1.54,440 2.02,442 3.838,443 1.446,444 2.836,445 1.828,446 4.127,447 2.455,448 1.486,449 1.934,451 3.378,452 1.419,453 2.794,454 1.738,455 3.908,456 2.35,457 1.414,458 1.836,460 3.321,461 1.258,462 24.848,463 0.487,464 1.11,465 0.022,466 63.75,467 1.25,468 30.5,469 0.598,470 33.25,471 0.652,472 59.83,473 1.173,474 53.752,475 0.591,476 56.178,477 1.102,478 12.255,479 0.24,480 12.651,481 0.248,482 0.103,484 0.334,487 0.656,488 1.24,489 0.672,490 0.995,491 0.575,492 0.936,493 0.896,494 1.078,495 0.75,496 0.877,497 0.637,498 0.861,499 1.14,500 1.036,501 0.947,502 0.908,503 0.968,504 0.876,505 1.138,506 1.065,507 1.041,508 1.003,509 1.111,510 0.929,511 1.238,512 1.105,513 1.221,514 1.134,515 1.177,516 1.037,517 0.824,518 1.085,519 1.085,520 1.105,521 0.784,522 1.119,523 0.719,524 1.097,525 1.164,526 1.158,527 0.625,528 1.169,529 0.754,530 0.953,531 0.986,532 0.98,533 0.626,534 1.02,535 8,536 0.361,537 5.111,538 4.042,539 2.764,540 2.067,541 1.445,542 0.839,543 0.536,544 0.412,545 54053,546 144056,547 2.139,548 44,549 2,550 21,552 2,554 5,555 10,558 1.857,559 2.026,560 4.056,561 -0.761,567 148.795,568 1.635,569 3.883,570 5.398,571 6.049,572 6.153,573 6.153,574 3.565,575 5.594,576 5.639,577 4.324,578 5513.33,579 10.042,580 115760,585 592.209,586 1.32,587 5.615,588 0.14,589 0.005,590 0.064,591 0.045,592 0.03,593 0.022,594 0.015,595 0.01,596 0.008,597 0.006,598 0.346,599 0.17,600 0.5,601 1.441,602 310.644,603 0.099,604 -0.103,605 0.064,606 -0.027,607 0.041,608 -0.003,609 0.051,610 0.011,611 0.1,612 0.091,613 0.081,614 0.082,615 -0.104,616 0.031,617 0.039,618 0.097,619 -0.059,620 0.082,621 -0.079,622 0.015,623 0.029,624 0.044,625 -0.05,626 0.034,627 -0.162,628 -0.027,629 -0.159,630 -0.047,631 -0.158,632 -0.069,633 0.041,634 -0.046,635 -0.052,636 -0.067,637 -0.032,638 -0.13,639 0.042,640 -0.106,641 -0.12,642 -0.145,643 -0.004,644 -0.157,645 0.008,646 0.003,647 -0.001,648 -0.018,649 -0.001,650 -0.004,651 1.849,652 4.668,653 0.686,654 79.498,655 1.001,656 1.121,657 5.666,658 32.103,659 0.691,660 4.06,661 4.394,662 4.718,663 5.056,664 5.333,665 5.545,666 5.79,667 6.023,668 6.203,669 6.354,670 10.568,671 0.651,672 722.38,673 4.06,674 5.617,675 6.488,676 7.386,677 8.282,678 9.195,679 10.105,680 11.027,681 11.947,682 12.877,683 7.7,686 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 91,726 31,727 2,728 57,730 97,731 39,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 5,753 26,754 13,756 3,761 1,764 2,765 3,772 40,773 9,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,819 1,828 1,832 4,834 1,836 3,837 1,840 51,846 9,848 2,850 1,851 1,856 1,859 1,861 1,862 3.3,865 1,867 2,869 25.167,870 17.543,871 11.25,872 5.903,874 5.402,875 1.536,876 0.995,877 11.147,878 15.487,879 4.317,880 4.913,881 5.523,882 6.142,883 6.654,884 7.033,885 7.511,886 7.955,887 8.36,888 8.715,889 1,890 89,891 18.871,893 8.02,894 7.6,895 36.645,897 30.515,899 2.1,900 107.111,904 470.844,905 238.513,906 91.32,907 39.149,908 47.364,910 31.278,911 207.236,912 557.356,913 91.32,914 26.476,915 25.64,916 94.762,917 116.159,918 105.066,919 1.358,920 478.58,921 39.149,922 470.844,923 298.556,924 47.364,925 70.426,927 353.133,928 165.075,931 117.005,932 131.44,933 89.26,934 31.278,935 470.844,936 138.684,937 277.662,940 470.844,941 99.18,942 144.356,944 172.809,945 470.844,946 138.684,947 277.662,949 0.575,950 0.341,951 0.195,952 0.107,953 38,954 17,955 0.134,956 13,957 3,958 1.171,959 5.716,960 583.771,961 0.171,962 35,963 287.294,964 1,968 35.343,969 16.085,970 7.754,972 136.785,973 23.869,974 13.312,977 1.806,978 11.258,979 2.186,981 887.19,982 74,987 11.668,990 9.788,991 1.465,994 91.116,995 102.039,996 0.251,997 0.597,998 0.829,999 0.929,1000 0.946,1001 0.946,1002 5.568,1003 2.324,1004 6.469,1005 7.054,1006 5.081,1007 5.602,1008 3.243,1009 7.318,1010 4.98,1011 6.77,1012 2.077,1013 8.043,1014 6.305,1015 4.635,1016 5.352,1017 2.283,1018 8.296,1019 4.475,1020 8.08,1021 1.902,1022 9.724,1023 6.066,1024 6.696,1025 7.781,1026 4.721,1027 11.472,1028 6.505,1029 9.429,1030 1.786,1031 11.47,1032 5.455,1033 7.124,1034 8.414,1035 4.278,1036 13.347,1037 6.871,1038 10.815,1039 1.736,1040 13.26,1041 5.289,1042 8.626,1043 10.28,1044 6.398,1045 16.045,1046 8.343,1047 12.228,1048 1.54,1049 15.082,1050 4.487,1051 9.462,1052 11.334,1053 6.16,1054 18.285,1055 9.116,1056 13.664,1057 1.486,1058 16.927,1059 3.838,1060 10.751,1061 12.966,1062 8.121,1063 20.837,1064 10.37,1065 3.434,1066 1.414,1067 18.79,1068 3.378,1069 11.78,1070 14.228,1071 7.993,1072 23.231,1073 11.336,1074 3.032,1075 12.682,1076 20.667,1077 3.321,1078 12.993,1079 15.761,1080 9.86,1081 25.745,1082 12.507,1083 3.012,1084 10.738,1085 22.555,1086 4.517,1087 14.111,1088 17.127,1089 9.802,1090 28.206,1091 13.565,1092 2.89,1093 10.225,1094 24.453,1095 4.001,1096 15.303,1097 18.62,1098 11.606,1099 30.714,1100 14.708,1101 2.607,1102 9.645,1103 26.359,1104 3.986,1105 16.464,1106 20.039,1107 11.599,1108 33.208,1109 15.81,1110 2.373,1111 7.921,1112 28.271,1113 3.837,1114 17.655,1115 21.519,1116 13.355,1117 35.721,1118 16.949,1119 2.346,1120 7.383,1121 30.19,1122 3.48,1123 18.839,1124 22.968,1125 13.391,1126 38.232,1127 18.074,1128 50340,1129 82360,1130 38.778,1131 62.853,1132 86.438,1133 88.787,1134 88.409,1135 85.429,1136 85.193,1137 109.752,1138 14.501,1139 247.135,1140 80.698,1141 5.724,1142 6,1143 7.017,1144 5.542,1145 5.434,1146 7.517,1147 4.816,1148 20.396,1149 5.245,1150 23.719,1151 1.516,1152 1.558,1153 1.551,1154 1.499,1155 1.495,1156 1.925,1157 0.254,1158 4.336,1159 1.416,1160 4.136,1161 4.168,1162 4.33,1163 4.087,1164 7.432,1165 4.058,1166 3.984,1167 4.015,1168 3.999,1169 3.916,1170 5.102,1171 3.914,1172 3.873,1173 3.9,1174 3.942,1175 3.828,1176 5.005,1177 3.81,1178 3.839,1179 3.89,1180 3.819,1181 3.72,1182 4.939,1183 3.724,1184 3.773,1185 3.812,1186 3.741,1187 3.632,1188 4.799,1189 3.65,1190 3.746,1191 3.788,1192 3.629,1193 3.578,1194 4.669,1195 3.577,1196 3.527,1197 3.579,1198 3.441,1199 3.299,1200 4.609,1201 3.305,1202 3.45,1203 3.523,1204 3.385,1205 3.276,1206 4.467,1207 3.279,1208 0.084,1209 0.07,1210 0.126,1211 0.077,1212 0.06,1213 4.777,1214 0.079,1215 4,1216 0.043,1217 7.189,1218 0.222,1219 4.376,1220 0.057,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.966,1227 1.94,1228 2.067,1229 2.062,1230 1.325,1231 2.066,1232 1.92,1233 1.901,1234 2.001,1235 1.996,1236 1.279,1237 2.003,1238 1.816,1239 1.778,1240 1.955,1241 1.949,1242 1.167,1243 1.954,1244 1.751,1245 1.716,1246 1.939,1247 1.906,1248 1.1,1249 1.918,1250 1.711,1251 1.662,1252 1.888,1253 1.864,1254 1.04,1255 1.876,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.959,1261 1.846,1262 1.545,1263 1.498,1264 1.8,1265 1.741,1266 0.94,1267 1.758,1268 1.483,1269 1.42,1270 1.722,1271 1.726,1272 0.864,1273 1.732,1274 4.745,1276 6.075,1277 3.045,1278 7.597,1279 5.533,1280 9.213,1281 7.751,1282 10.884,1284 5.889,1285 6.792,1290 5.954,1292 10.796,1294 -0.165,1295 2.493,1300 59.264,1301 148.795,1302 353.365,1303 491.216,1304 550.435,1305 559.945,1306 559.945,1307 90.619,1308 10.085,1309 107.09,1310 135.33,1311 41,1312 13.382,1313 5,1314 4.17,1315 75.317,1316 327,1317 423,1318 0.111,1319 365.292,1320 637.09,1321 883.073,1322 450535,1323 1.1,1324 35.321,1325 0.693,1326 0.6,1327 36.175,1328 30.583,1329 24.906,1330 0.437,1331 0.326,1332 17.277,1333 23.304,1334 16.714,1335 13.801,1336 25.603,1337 18.578,1338 22.154,1339 0.277,1340 0.177,1341 23.14,1342 14.187,1343 19.028,1344 0.171,1345 0.096,1346 20.181,1347 10.633,1348 16.807,1349 0.108,1350 0.054,1351 18.217,1352 8.354,1353 13.83,1354 0.067,1355 0.03,1356 15.156,1357 6.12,1358 0.179,1359 162.564,1360 0.161,1361 43.761,1362 0.293,1363 274,1364 769.786,1365 338.321,1366 793.855,1367 1096.41,1368 748,1369 328,1370 790.279,1371 389.031,1372 819.419,1373 1207.86,1374 774,1375 7.229} {0 CHEMBL351024,1 1.599,2 19.346,3 7.418,4 55.028,5 210.533,6 7.741,7 0.483,8 4.644,9 4.765,10 4.277,11 4.23,12 5.699,13 4.184,14 5.199,15 5.381,16 4.661,17 4.639,18 6.175,19 4.569,20 5.465,21 5.675,22 4.805,23 4.814,24 6.421,25 4.722,26 5.543,27 5.755,28 4.897,29 4.875,30 6.516,31 4.777,32 5.537,33 5.722,34 4.867,35 4.922,36 6.517,37 4.823,38 5.651,39 5.85,40 4.946,41 5.013,42 6.61,43 4.885,44 5.719,45 5.954,46 4.784,47 4.982,48 6.585,49 4.827,50 5.684,51 5.955,52 4.601,53 4.847,54 6.49,55 4.682,56 0.103,57 1.427,58 19.37,59 8.823,60 16.472,61 11.555,62 0.336,63 2.363,64 39.359,65 15.035,66 34.679,67 20.132,68 0.508,69 2.955,70 57.735,71 19.972,72 61.259,73 26.371,74 0.668,75 3.178,76 66.134,77 21.529,78 75.069,79 28.163,80 0.587,81 3.165,82 64.55,83 22.955,84 67.337,85 28.577,86 0.757,87 3.448,88 73.731,89 25.862,90 83.379,91 33.329,92 0.757,93 3.566,94 80.096,95 28.008,96 83.088,97 37.651,98 0.733,99 3.334,100 78.358,101 25.917,102 80.765,103 36.154,104 36,105 81,106 0.232,107 0.566,108 0.789,109 0.888,110 0.902,111 0.902,112 3.973,113 0.993,114 -6.66,115 -6.48,116 -6.01,118 42.1,119 3,120 5,124 5,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 17,171 2,172 15,175 1,177 2,180 19,185 2,186 19,191 2,194 13,197 2,198 26,203 1,206 18,209 2,210 15,218 24,221 3,222 12,225 1,229 30,233 4,234 11,237 1,242 21,246 1,247 15,255 16,259 17,264 2,267 13,270 6822,271 35.835,272 35.835,273 35.835,274 35.835,275 35.835,276 31.928,277 40.266,278 21.566,279 36.652,280 28.678,281 28.678,282 28.678,283 28.678,284 28.678,285 22.67,286 52.777,287 10.275,288 30.064,289 4.971,290 2.676,291 1.142,292 0.461,293 0.361,294 0.361,295 4.69,297 1,301 2218,302 4.848,305 196.057,306 598.934,307 145.214,309 163.315,310 408.489,313 3.192,314 39.884,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.47,325 110.333,326 1006,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.373,334 12.682,335 3.245,336 4.392,337 3.625,338 6.687,339 4.017,340 3.032,341 4.001,342 1.907,343 10.738,344 2.988,345 4.361,346 3.574,347 6.508,348 3.957,349 3.012,350 3.986,351 0.995,352 10.225,353 2.832,354 4.232,355 3.245,356 6.358,357 3.833,358 2.89,359 3.837,360 0.795,361 9.645,362 2.711,363 3.934,364 3.207,365 5.772,366 3.575,367 2.607,368 3.48,369 0.359,370 7.921,371 2.531,372 3.661,373 3.005,374 5.639,375 3.388,376 2.38,377 2.976,378 0.149,379 7.383,380 2.386,381 3.658,382 2.852,383 5.519,384 3.298,385 2.346,386 2.866,388 7.054,389 2.224,390 3.568,391 2.737,392 5.221,393 3.263,394 2.324,395 2.828,397 6.305,398 2.166,399 3.45,400 2.539,401 5.034,402 3.042,403 2.077,404 2.678,406 6.089,407 2,408 3.21,409 2.288,410 4.977,411 2.837,412 1.902,413 2.38,415 5.455,416 1.768,417 3.11,418 2.077,419 4.89,420 2.721,421 1.788,422 2.275,424 5.289,425 1.672,426 2.939,427 1.996,428 4.631,429 2.681,430 1.74,431 2.059,433 4.487,434 1.61,435 2.869,436 1.87,437 4.184,438 2.484,439 1.541,440 2.02,442 3.84,443 1.459,444 2.836,445 1.751,446 4.127,447 2.466,448 1.499,449 1.934,451 3.378,452 1.421,453 2.795,454 1.688,455 3.908,456 2.389,457 1.414,458 1.837,460 3.338,461 1.374,462 25.414,463 0.489,464 1.11,465 0.021,466 64.25,467 1.236,468 30.5,469 0.587,470 33.75,471 0.649,472 62.129,473 1.195,474 54.986,475 0.579,476 56.53,477 1.087,478 12.187,479 0.234,480 13.219,481 0.254,482 0.1,484 0.327,487 0.653,488 1.252,489 0.695,490 0.989,491 0.571,492 0.944,493 0.863,494 1.103,495 0.761,496 0.904,497 0.643,498 0.89,499 1.107,500 1.045,501 0.93,502 0.922,503 1.016,504 0.886,505 1.203,506 1.014,507 1.014,508 0.96,509 1.123,510 0.889,511 1.293,512 1.095,513 1.195,514 1.129,515 1.154,516 1.018,517 1.002,518 1.077,519 1.109,520 1.115,521 1.062,522 1.124,523 0.834,524 1.069,525 1.159,526 1.146,527 0.659,528 1.147,529 0.841,530 0.944,531 0.99,532 0.979,533 0.658,534 1.012,535 8,536 0.361,537 5.111,538 4.042,539 2.844,540 2.067,541 1.445,542 0.839,543 0.536,544 0.412,545 57590,546 144941,547 2.136,548 45.3,549 5,550 21,552 2,553 1,554 5,555 9,558 1.861,559 2.026,560 4.1,561 -0.413,567 151.93,568 1.599,569 3.894,570 5.428,571 6.109,572 6.209,573 6.209,574 3.611,575 5.585,576 5.666,577 4.374,578 5799.44,579 10.094,580 124453,585 624.136,586 1.31,587 5.644,588 0.138,589 0.005,590 0.063,591 0.045,592 0.03,593 0.021,594 0.015,595 0.01,596 0.008,597 0.006,598 0.342,599 0.17,600 0.5,601 1.531,602 319.185,603 0.108,604 -0.09,605 0.062,606 -0.01,607 0.047,608 0.007,609 0.038,611 0.094,612 0.07,613 0.053,614 0.065,615 -0.068,616 0.021,617 0.057,618 0.083,619 -0.04,620 0.079,621 -0.062,622 0.055,623 0.064,624 0.084,625 -0.042,626 0.078,627 -0.138,628 -0.018,629 -0.121,630 -0.037,631 -0.106,632 -0.042,633 0.001,634 -0.037,635 -0.065,636 -0.072,637 -0.081,638 -0.137,639 0.03,640 -0.09,641 -0.109,642 -0.128,643 -0.009,644 -0.138,645 0.001,647 -0.005,648 -0.015,649 -0.011,650 -0.006,651 1.581,652 4.938,653 0.673,654 84.522,655 0.998,656 1.124,657 5.43,658 29.482,659 0.686,660 4.078,661 4.407,662 4.727,663 5.063,664 5.342,665 5.549,666 5.793,667 6.026,668 6.205,669 6.356,670 10.891,671 0.643,672 735.43,673 4.078,674 5.631,675 6.5,676 7.396,677 8.29,678 9.201,679 10.111,680 11.032,681 11.952,682 12.88,683 8.4,686 1,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 95,726 31,727 2,728 58,730 101,731 40,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 6,753 26,754 14,756 3,761 1,764 2,765 3,772 43,773 9,774 1,775 12,776 2,779 8,784 0.571,785 2,795 1,801 2,802 4,803 1,805 1,806 2,816 1,828 1,832 4,834 1,836 3,837 1,840 52,846 10,847 1,848 1,850 1,851 1,856 1,859 1,861 1,862 2.1,865 1,867 1,869 25.667,870 18.126,871 11.5,872 6.216,874 5.399,875 1.534,876 0.998,877 11.68,878 15.514,879 4.331,880 4.92,881 5.527,882 6.144,883 6.658,884 7.034,885 7.512,886 7.956,887 8.36,888 8.715,889 0.923,890 90,891 19.256,893 8.172,894 7.569,895 37.56,897 31.337,899 2.069,900 107.611,904 494.386,905 236.074,906 109.331,907 39.149,908 36.364,910 31.278,911 204.797,912 569.899,913 109.331,914 26.476,915 43.699,916 94.762,917 113.673,918 94.066,919 1.358,920 502.122,921 39.149,922 494.386,923 314.128,924 36.364,925 70.426,927 388.446,928 142.304,931 135.063,932 128.953,933 89.26,934 31.278,935 494.386,936 145.695,937 275.223,940 494.386,941 96.742,942 144.356,943 18.011,944 161.809,945 494.386,946 145.695,947 275.223,949 0.574,950 0.338,951 0.193,952 0.109,953 38,954 17,955 0.129,956 13,957 3,958 1.171,959 5.812,960 595.086,961 0.171,962 35,963 296.423,964 1,968 36.3,969 16.732,970 8.139,972 143.796,973 23.96,974 13.336,977 1.811,978 11.316,979 2.19,980 18.011,981 915.304,982 75,987 11.938,990 9.822,991 1.75,994 94.774,995 106.743,996 0.243,997 0.593,998 0.826,999 0.93,1000 0.945,1001 0.945,1002 5.58,1003 2.324,1004 6.479,1005 7.054,1006 5.094,1007 5.609,1008 3.074,1009 7.323,1010 5,1011 6.778,1012 2.077,1013 8.05,1014 6.305,1015 4.635,1016 5.352,1017 1.668,1018 8.296,1019 4.483,1020 8.086,1021 1.902,1022 9.728,1023 6.089,1024 6.703,1025 7.783,1026 4.43,1027 11.474,1028 6.523,1029 9.433,1030 1.788,1031 11.473,1032 5.455,1033 7.124,1034 8.414,1035 3.063,1036 13.347,1037 6.881,1038 10.818,1039 1.74,1040 13.262,1041 5.289,1042 8.629,1043 10.28,1044 6.03,1045 16.045,1046 8.357,1047 12.23,1048 1.541,1049 15.083,1050 4.487,1051 9.462,1052 11.334,1053 4.419,1054 18.285,1055 9.125,1056 13.665,1057 1.499,1058 16.928,1059 3.84,1060 10.753,1061 12.966,1062 7.698,1063 20.837,1064 10.38,1065 3.434,1066 1.414,1067 18.79,1068 3.378,1069 11.78,1070 14.228,1071 5.752,1072 23.231,1073 11.344,1074 3.032,1075 12.682,1076 20.667,1077 3.338,1078 12.994,1079 15.761,1080 9.393,1081 25.745,1082 12.515,1083 3.012,1084 10.738,1085 22.555,1086 4.517,1087 14.111,1088 17.127,1089 7.069,1090 28.206,1091 13.571,1092 2.89,1093 10.225,1094 24.453,1095 4.001,1096 15.304,1097 18.62,1098 11.1,1099 30.714,1100 14.714,1101 2.607,1102 9.645,1103 26.359,1104 3.986,1105 16.464,1106 20.039,1107 8.375,1108 33.208,1109 15.815,1110 2.38,1111 7.921,1112 28.271,1113 3.837,1114 17.656,1115 21.519,1116 12.816,1117 35.721,1118 16.953,1119 2.346,1120 7.383,1121 30.19,1122 3.48,1123 18.839,1124 22.968,1125 9.674,1126 38.232,1127 18.077,1128 53721,1129 85504,1130 39.471,1131 65.165,1132 87.381,1133 89.953,1134 89.824,1135 86.55,1136 86.277,1137 110.812,1138 13.155,1139 249.412,1140 82.1,1141 5.724,1142 6,1143 7.057,1144 5.542,1145 5.434,1146 7.517,1147 4.746,1148 20.396,1149 5.245,1150 24.054,1151 1.507,1152 1.551,1153 1.549,1154 1.492,1155 1.488,1156 1.911,1157 0.227,1158 4.3,1159 1.416,1160 4.136,1161 4.169,1162 4.33,1163 4.087,1164 7.429,1165 4.059,1166 3.984,1167 4.016,1168 3.999,1169 3.916,1170 5.102,1171 3.914,1172 3.873,1173 3.901,1174 3.943,1175 3.828,1176 5.005,1177 3.81,1178 3.839,1179 3.891,1180 3.819,1181 3.72,1182 4.939,1183 3.724,1184 3.773,1185 3.83,1186 3.741,1187 3.632,1188 4.799,1189 3.65,1190 3.773,1191 3.812,1192 3.655,1193 3.603,1194 4.669,1195 3.604,1196 3.605,1197 3.678,1198 3.452,1199 3.437,1200 4.609,1201 3.421,1202 3.451,1203 3.524,1204 3.416,1205 3.283,1206 4.389,1207 3.285,1208 0.082,1209 0.069,1210 0.124,1211 0.075,1212 0.059,1213 4.777,1214 0.078,1215 4,1216 0.041,1217 7.189,1218 0.219,1219 4.376,1220 0.056,1221 3.434,1222 4.517,1223 2.373,1224 12.682,1225 3.245,1226 1.966,1227 1.94,1228 2.067,1229 2.062,1230 1.325,1231 2.066,1232 1.92,1233 1.901,1234 2.001,1235 1.996,1236 1.285,1237 2.003,1238 1.816,1239 1.778,1240 1.972,1241 1.951,1242 1.168,1243 1.957,1244 1.751,1245 1.716,1246 1.942,1247 1.934,1248 1.155,1249 1.943,1250 1.735,1251 1.679,1252 1.904,1253 1.864,1254 1.1,1255 1.876,1256 1.67,1257 1.626,1258 1.888,1259 1.85,1260 1.04,1261 1.849,1262 1.614,1263 1.539,1264 1.826,1265 1.817,1266 0.959,1267 1.846,1268 1.545,1269 1.498,1270 1.722,1271 1.726,1272 0.864,1273 1.732,1274 4.762,1276 6.089,1277 3.045,1278 7.607,1279 5.533,1280 9.22,1281 7.751,1282 10.889,1284 6.13,1285 6.798,1290 7.483,1291 2.921,1292 5.818,1294 -0.163,1295 2.5,1300 61.098,1301 151.93,1302 369.936,1303 515.633,1304 580.362,1305 589.872,1306 589.872,1307 94.617,1308 10.115,1309 109.89,1310 138.13,1311 41,1312 13.385,1313 5,1314 4.17,1315 77.619,1316 343,1317 458,1318 0.109,1319 377.683,1320 656.6,1321 913.306,1322 470312,1323 1.1,1324 36.028,1325 0.693,1326 0.604,1327 36.882,1328 31.382,1329 25.406,1330 0.438,1331 0.331,1332 17.901,1333 23.883,1334 17.316,1335 14.354,1336 26.103,1337 19.189,1338 22.508,1339 0.278,1340 0.182,1341 23.494,1342 14.732,1343 19.297,1344 0.172,1345 0.098,1346 20.45,1347 10.923,1348 16.866,1349 0.107,1350 0.054,1351 18.276,1352 8.489,1353 14.136,1354 0.068,1355 0.03,1356 15.462,1357 6.273,1358 0.176,1359 165.11,1360 0.159,1361 44.546,1362 0.286,1363 278,1364 744.384,1365 340.389,1366 777.504,1367 1076.65,1368 732,1369 332,1370 778.514,1371 391.872,1372 811.089,1373 1193.98,1374 766,1375 6.268} {0 CHEMBL351224,1 1.609,2 22.552,3 8.403,4 70.614,5 231.123,6 7.898,7 0.523,8 4.731,9 4.842,10 4.38,11 4.325,12 5.807,13 4.286,14 5.281,15 5.449,16 4.755,17 4.73,18 6.291,19 4.667,20 5.541,21 5.74,22 4.882,23 4.899,24 6.502,25 4.81,26 5.624,27 5.831,28 4.954,29 4.948,30 6.596,31 4.85,32 5.616,33 5.8,34 4.927,35 4.984,36 6.593,37 4.888,38 5.723,39 5.922,40 5.009,41 5.065,42 6.694,43 4.944,44 5.767,45 5.995,46 4.863,47 5.037,48 6.67,49 4.892,50 5.748,51 6.009,52 4.698,53 4.919,54 6.609,55 4.766,56 0.079,57 1.51,58 19.946,59 9.559,60 17.375,61 12.16,62 0.408,63 2.518,64 40.991,65 16.234,66 44.036,67 20.988,68 0.521,69 3.16,70 60.19,71 21.829,72 64.245,73 28.017,74 0.721,75 3.407,76 69.981,77 23.623,78 82.904,79 30.076,80 0.621,81 3.374,82 68.165,83 24.732,84 73.423,85 30.164,86 0.925,87 3.653,88 77.984,89 27.572,90 94.041,91 34.838,92 0.774,93 3.754,94 82.282,95 29.319,96 91.333,97 38.828,98 0.835,99 3.588,100 82.31,101 27.794,102 100.618,103 37.977,104 17,105 90,106 0.229,107 0.551,108 0.774,109 0.884,110 0.906,111 0.909,112 4.079,113 0.969,114 -6.97,115 -6.77,116 -6.27,118 43.7,119 2,120 6,124 5,126 1,140 12,141 7,142 1,143 4,150 1,151 1,153 2,154 1,157 2,162 2,168 20,171 3,172 19,180 22,185 2,186 23,194 15,197 2,198 29,206 19,209 2,210 16,218 24,221 5,222 14,229 31,233 5,234 12,242 23,246 2,247 17,255 19,259 20,267 15,270 10132,271 40.103,272 40.103,273 40.103,274 40.103,275 40.103,276 35.445,277 42.666,278 24.184,279 41.063,280 32.196,281 32.196,282 32.196,283 32.196,284 32.196,285 25.143,286 53.58,287 11.603,288 33.786,289 5.078,290 2.817,291 1.253,292 0.476,293 0.325,294 0.306,295 4.802,297 1,301 2918,302 5,305 234.314,306 941.442,307 173.249,309 195.417,310 487.241,313 3.843,314 45.882,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 123.333,326 1308,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.392,337 3.682,338 6.687,339 4.017,340 3.032,341 4.001,342 2.373,343 10.738,344 2.988,345 4.361,346 3.625,347 6.508,348 3.957,349 3.012,350 3.986,351 0.995,352 10.225,353 2.832,354 4.232,355 3.245,356 6.358,357 3.833,358 2.89,359 3.837,360 0.795,361 9.645,362 2.711,363 3.934,364 3.207,365 5.772,366 3.575,367 2.607,368 3.48,369 0.359,370 7.921,371 2.531,372 3.897,373 3.005,374 5.639,375 3.514,376 2.525,377 3.444,378 0.286,379 7.383,380 2.497,381 3.661,382 2.852,383 5.519,384 3.352,385 2.375,386 2.976,388 7.054,389 2.298,390 3.658,391 2.737,392 5.34,393 3.298,394 2.346,395 2.866,397 6.966,398 2.224,399 3.568,400 2.72,401 5.221,402 3.263,403 2.324,404 2.828,406 6.305,407 2.166,408 3.45,409 2.539,410 5.034,411 3.042,412 2.077,413 2.678,415 6.09,416 2,417 3.21,418 2.288,419 4.977,420 2.837,421 1.902,422 2.38,424 5.455,425 1.768,426 3.11,427 2.077,428 4.89,429 2.72,430 1.788,431 2.275,433 5.289,434 1.665,435 2.95,436 1.996,437 4.631,438 2.681,439 1.743,440 2.114,442 4.487,443 1.61,444 2.938,445 1.941,446 4.184,447 2.574,448 1.607,449 2.059,451 3.841,452 1.548,453 2.869,454 1.87,455 4.127,456 2.48,457 1.54,458 2.02,460 3.401,461 1.444,462 28.248,463 0.487,464 1.178,465 0.02,466 74.25,467 1.28,468 36.5,469 0.629,470 37.75,471 0.651,472 67.726,473 1.168,474 60.552,475 0.588,476 66.219,477 1.142,478 14.296,479 0.246,480 14.128,481 0.244,482 0.072,484 0.312,487 0.66,488 1.23,489 0.678,490 0.991,491 0.566,492 0.929,493 0.913,494 1.088,495 0.787,496 0.909,497 0.668,498 0.899,499 1.096,500 1.066,501 0.959,502 0.963,503 0.953,504 0.932,505 1.209,506 1.025,507 1.043,508 0.987,509 1.145,510 0.929,511 1.266,512 1.1,513 1.206,514 1.141,515 1.166,516 1.039,517 1.012,518 1.044,519 1.107,520 1.084,521 1.047,522 1.096,523 0.818,524 1.086,525 1.166,526 1.156,527 0.75,528 1.149,529 0.873,530 0.948,531 1.011,532 0.988,533 0.89,534 1.022,535 8.5,536 0.365,537 5.333,538 4.104,539 2.915,540 2.102,541 1.547,542 0.913,543 0.565,544 0.433,545 86907,546 223781,547 2.162,548 43.7,549 4,550 23,552 4,554 5,555 9,558 1.882,559 2.071,560 4.306,561 -0.773,567 165.688,568 1.609,569 3.869,570 5.434,571 6.211,572 6.361,573 6.381,574 3.787,575 5.617,576 5.821,577 4.621,578 7638.51,579 10.391,580 186436,585 688.71,586 1.217,587 5.81,588 0.131,589 0.005,590 0.059,591 0.042,592 0.029,593 0.02,594 0.015,595 0.01,596 0.007,597 0.006,598 0.325,599 0.17,600 0.38,601 0.367,602 371.372,603 0.097,604 -0.104,605 0.065,606 -0.026,607 0.06,609 0.036,610 -0.002,611 0.065,612 0.057,613 0.061,614 0.041,615 -0.081,616 -0.015,617 0.023,618 0.042,619 -0.055,620 0.033,621 -0.084,622 0.026,623 0.032,624 0.053,625 -0.072,626 0.04,627 -0.139,628 -0.043,629 -0.135,630 -0.063,631 -0.13,632 -0.069,633 0.031,634 -0.023,635 -0.053,636 -0.049,637 -0.052,638 -0.114,639 0.04,640 -0.105,641 -0.104,642 -0.137,643 0.023,644 -0.139,645 0.008,646 0.004,647 -0.01,648 -0.016,649 0.006,650 -0.009,651 1.855,652 5.267,653 0.707,654 113.05,655 1,656 1.12,657 5.741,658 32.962,659 0.693,660 4.19,661 4.511,662 4.82,663 5.142,664 5.412,665 5.595,666 5.832,667 6.057,668 6.23,669 6.378,670 12.848,671 0.654,672 813.5,673 4.19,674 5.74,675 6.603,676 7.491,677 8.377,678 9.279,679 10.181,680 11.094,681 12.006,682 12.928,683 7.8,686 1,691 1,692 2,693 4,699 16,700 4,703 1,704 12,705 1,706 34,708 1,709 1,723 1,724 103,726 37,727 2,728 65,730 110,731 45,733 28,734 4,735 8,736 2,739 8,740 14,741 1,745 2,748 2,751 7,753 31,754 14,756 3,761 1,764 2,765 3,772 45,773 10,775 13,776 2,779 8,784 0.625,785 3,795 2,801 2,802 5,803 1,805 1,806 2,819 1,828 1,832 5,834 1,836 2,837 1,840 58,846 11,848 2,850 1,851 1,856 1,859 1,861 1,862 2.9,865 1,867 2,869 28,870 19.326,871 12.75,872 6.551,874 5.855,875 1.563,876 1.001,877 12.918,878 16.249,879 4.454,880 5.04,881 5.636,882 6.238,883 6.745,884 7.071,885 7.537,886 7.973,887 8.373,888 8.725,889 0.933,890 98,891 21.472,893 9.134,894 7.582,895 41.751,897 34.815,899 2.082,900 120.778,904 529.7,905 274.99,906 108.106,907 39.149,908 47.364,910 31.278,911 243.712,912 616.212,913 108.106,914 17.65,915 30.709,916 113.715,917 156.487,918 126.346,919 1.358,920 513.893,921 39.149,922 529.7,923 351.818,924 47.364,925 70.426,927 423.76,928 153.303,931 131.343,932 153.578,933 106.046,934 31.278,935 529.7,936 155.469,937 314.139,940 529.7,941 107.435,942 172.578,944 189.595,945 529.7,946 155.469,947 314.139,949 0.574,950 0.337,951 0.191,952 0.106,953 42,954 18,955 0.145,956 16,957 3,958 1.146,959 6.442,960 673.848,961 0.146,962 41,963 339.763,964 1,968 39.896,969 18.779,970 9.376,972 153.57,973 31.435,974 17.488,977 1.805,978 12.356,979 2.188,981 999.308,982 85,987 12.267,990 9.848,991 1.449,994 102.985,995 115.367,996 0.241,997 0.579,998 0.813,999 0.929,1000 0.951,1001 0.954,1002 5.695,1003 2.346,1004 6.572,1005 7.054,1006 5.198,1007 5.73,1008 3.243,1009 7.398,1010 5.104,1011 6.888,1012 2.324,1013 8.131,1014 6.966,1015 4.691,1016 5.414,1017 2.283,1018 8.336,1019 4.541,1020 8.188,1021 2.077,1022 9.796,1023 6.305,1024 6.79,1025 7.89,1026 4.721,1027 11.51,1028 6.61,1029 9.526,1030 1.902,1031 11.529,1032 6.09,1033 7.171,1034 8.466,1035 4.278,1036 13.366,1037 6.93,1038 10.902,1039 1.788,1040 13.309,1041 5.455,1042 8.694,1043 10.366,1044 6.398,1045 16.06,1046 8.424,1047 12.306,1048 1.743,1049 15.122,1050 5.289,1051 9.499,1052 11.375,1053 6.16,1054 18.293,1055 9.165,1056 13.733,1057 1.607,1058 16.959,1059 4.487,1060 10.796,1061 13.028,1062 8.121,1063 20.843,1064 10.427,1065 3.434,1066 1.54,1067 18.816,1068 3.841,1069 11.806,1070 14.26,1071 7.993,1072 23.234,1073 11.374,1074 3.032,1075 12.682,1076 20.687,1077 3.401,1078 13.021,1079 15.803,1080 9.86,1081 25.746,1082 12.546,1083 3.012,1084 10.738,1085 22.572,1086 4.517,1087 14.128,1088 17.15,1089 9.802,1090 28.207,1091 13.592,1092 2.89,1093 10.225,1094 24.466,1095 4.001,1096 15.32,1097 18.647,1098 11.606,1099 30.715,1100 14.734,1101 2.607,1102 9.645,1103 26.369,1104 3.986,1105 16.475,1106 20.055,1107 11.599,1108 33.208,1109 15.829,1110 2.525,1111 7.921,1112 28.279,1113 3.837,1114 17.665,1115 21.536,1116 13.355,1117 35.722,1118 16.966,1119 2.375,1120 7.383,1121 30.196,1122 3.48,1123 18.845,1124 22.978,1125 13.391,1126 38.232,1127 18.087,1128 79411,1129 127692,1130 44.728,1131 71.381,1132 97.977,1133 100.357,1134 99.286,1135 96.934,1136 96.695,1137 125.409,1138 14.501,1139 275.757,1140 91.952,1141 5.731,1142 6,1143 7.013,1144 5.542,1145 5.434,1146 7.517,1147 4.816,1148 20.396,1149 5.245,1150 22.739,1151 1.507,1152 1.544,1153 1.527,1154 1.491,1155 1.488,1156 1.929,1157 0.223,1158 4.242,1159 1.415,1160 4.138,1161 4.171,1162 4.33,1163 4.089,1164 7.432,1165 4.06,1166 3.985,1167 4.017,1168 3.999,1169 3.917,1170 5.104,1171 3.915,1172 3.899,1173 3.94,1174 3.944,1175 3.829,1176 5.007,1177 3.812,1178 3.872,1179 3.899,1180 3.828,1181 3.798,1182 4.94,1183 3.797,1184 3.838,1185 3.89,1186 3.815,1187 3.719,1188 4.893,1189 3.723,1190 3.773,1191 3.812,1192 3.741,1193 3.631,1194 4.799,1195 3.65,1196 3.739,1197 3.781,1198 3.625,1199 3.575,1200 4.668,1201 3.574,1202 3.545,1203 3.598,1204 3.442,1205 3.362,1206 4.609,1207 3.358,1208 0.073,1209 0.062,1210 0.111,1211 0.067,1212 0.053,1213 4.777,1214 0.069,1215 4,1216 0.038,1217 7.189,1218 0.195,1219 4.376,1220 0.05,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.966,1227 1.94,1228 2.067,1229 2.062,1230 1.325,1231 2.066,1232 1.92,1233 1.901,1234 2.019,1235 2,1236 1.282,1237 2.008,1238 1.873,1239 1.835,1240 2.001,1241 1.996,1242 1.253,1243 2.003,1244 1.816,1245 1.778,1246 1.952,1247 1.948,1248 1.167,1249 1.954,1250 1.751,1251 1.716,1252 1.938,1253 1.899,1254 1.1,1255 1.913,1256 1.709,1257 1.66,1258 1.888,1259 1.864,1260 1.04,1261 1.876,1262 1.67,1263 1.626,1264 1.826,1265 1.85,1266 0.959,1267 1.846,1268 1.545,1269 1.498,1270 1.764,1271 1.736,1272 0.887,1273 1.745,1274 4.875,1276 6.196,1277 3.045,1278 7.708,1279 5.533,1280 9.31,1281 7.751,1282 10.967,1284 4.078,1285 6.813,1290 7.447,1292 11.279,1294 -0.171,1295 2.495,1300 67.339,1301 165.688,1302 398.544,1303 559.651,1304 639.69,1305 655.2,1306 657.2,1307 104.63,1308 10.394,1309 119.98,1310 148.22,1311 47,1312 13.438,1313 5.248,1314 4.392,1315 84.446,1316 444,1317 574,1318 0.089,1319 413.465,1320 720.71,1321 1000.61,1322 717510,1323 1,1324 39.848,1325 0.687,1326 0.591,1327 40.702,1328 34.254,1329 28.424,1330 0.437,1331 0.323,1332 19.667,1333 26.762,1334 19.088,1335 15.754,1336 29.121,1337 20.985,1338 25.154,1339 0.279,1340 0.179,1341 26.14,1342 16.067,1343 21.531,1344 0.175,1345 0.097,1346 22.684,1347 11.924,1348 18.715,1349 0.11,1350 0.054,1351 20.126,1352 9.201,1353 15.546,1354 0.07,1355 0.03,1356 16.872,1357 6.699,1358 0.145,1359 184.17,1360 0.15,1361 49.221,1362 0.226,1363 310,1364 857.431,1365 375.709,1366 882.652,1367 1218.74,1368 832,1369 368,1370 878.392,1371 430.862,1372 911.327,1373 1337.32,1374 860,1375 6} {0 CHEMBL351385,1 1.906,2 8.758,3 3.812,4 14.531,5 117.179,6 8.961,7 0.314,8 4.108,9 4.2,10 3.799,11 3.586,12 5.36,13 3.613,14 4.655,15 4.805,16 4.248,17 3.96,18 6.281,19 3.981,20 4.786,21 4.929,22 4.356,23 4.157,24 6.04,25 4.155,26 5.014,27 5.142,28 4.626,29 4.269,30 6.522,31 4.295,32 5.099,33 5.24,34 4.586,35 4.36,36 6.421,37 4.374,38 5.257,39 5.415,40 4.748,41 4.446,42 6.687,43 4.452,44 5.345,45 5.527,46 4.596,47 4.43,48 6.639,49 4.409,50 5.319,51 5.517,52 4.548,53 4.284,54 6.999,55 4.245,56 0.302,57 0.946,58 7.745,59 5.047,60 38.626,61 5.285,62 1.308,63 1.793,64 20.139,65 8.126,66 172.096,67 8.903,68 0.769,69 1.661,70 21.035,71 10.104,72 80.658,73 11.026,74 1.508,75 1.872,76 35.08,77 12.4,78 183.663,79 12.298,80 1.362,81 2.061,82 31.647,83 13.085,84 160.795,85 13.705,86 1.929,87 2.308,88 41.346,89 14.944,90 208.966,91 16.487,92 1.938,93 2.448,94 51.157,95 16.598,96 205.689,97 18.794,98 3.073,99 2.32,100 53.341,101 15.694,102 372.119,103 18.586,104 96,105 51,106 0.316,107 0.695,108 0.862,109 0.877,110 0.883,111 0.883,112 3.533,113 0.876,114 -4.14,115 -4.08,116 -3.86,118 40.7,119 2,121 1,123 1,124 2,131 1,134 2,136 1,137 1,140 3,141 2,142 1,143 1,149 1,152 1,154 1,156 1,168 7,171 2,172 7,175 1,177 1,180 11,185 1,186 5,191 1,194 10,197 3,198 10,201 1,203 3,206 11,209 2,210 8,213 1,215 1,218 4,221 2,222 16,225 2,227 4,229 5,233 3,234 11,237 1,239 1,242 2,247 4,255 4,258 2,259 4,267 1,270 2007,271 21.524,272 21.524,273 21.524,274 21.524,275 21.524,276 19.25,277 26.231,278 12.473,279 22.392,280 17.134,281 17.134,282 17.134,283 17.134,284 17.134,285 13.648,286 30.617,287 5.688,288 18.42,289 3.849,290 1.562,291 0.551,292 0.463,293 0.426,294 0.426,295 4.203,297 1,300 1,301 592,302 4.528,305 97.357,306 220.562,313 1.234,314 70.057,317 1,318 0.83,319 1,320 1,321 0.5,322 1,323 1,324 0.9,325 76.333,326 289,327 4.715,328 4.477,329 7.309,330 4.402,331 3.451,332 4.245,333 3.825,334 12.817,335 3.348,336 4.519,337 3.913,338 7.135,339 4.207,340 3.303,341 3.988,342 1.674,343 12.094,344 2.93,345 4.125,346 3.51,347 6.332,348 3.725,349 2.748,350 3.541,351 1.36,352 9.399,353 2.689,354 3.953,355 3.198,356 6.143,357 3.566,358 2.643,359 3.432,360 1.216,361 8.75,362 2.415,363 3.87,364 2.904,365 5.486,366 3.417,367 2.495,368 3.15,369 1.115,370 7.233,371 2.286,372 3.484,373 2.749,374 5.189,375 3.045,376 2.096,377 2.663,378 0.522,379 6.061,380 1.978,381 3.131,382 2.48,383 5.021,384 2.747,385 1.825,386 2.207,388 5.453,389 1.677,390 3.01,391 2.297,392 4.715,393 2.71,394 1.75,395 2.091,397 4.662,398 1.628,399 2.859,400 1.691,401 4.456,402 2.353,403 1.414,404 2.001,406 3.661,407 1.262,408 2.581,409 1.652,410 3.87,411 2.222,412 1.278,413 1.598,415 3.167,416 1.19,417 2.516,418 1.462,419 3.605,420 2.064,421 1.138,422 1.499,424 2.584,425 1.048,426 2.118,427 1.449,428 3.322,429 1.867,430 0.931,431 1,433 1.658,434 0.861,435 2.059,436 1.271,437 3.256,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.504,445 0.789,446 3,447 1.299,448 0.401,449 0.421,451 0.731,452 0.353,453 1.322,454 0.72,455 2.911,456 1.017,457 0.071,458 0.081,460 0.168,461 0.059,462 15.105,463 0.458,464 1.077,465 0.033,466 37.75,467 1.144,468 16,469 0.485,470 21.75,471 0.659,472 35.284,473 1.069,474 37.695,475 0.698,476 37.836,477 1.147,478 8.05,479 0.244,480 7.545,481 0.229,482 0.247,483 0.033,484 0.358,485 3,487 0.695,488 1.124,489 0.583,490 1.117,491 0.651,492 0.961,493 0.611,494 0.689,495 0.611,496 0.709,497 0.422,498 0.718,499 0.757,500 0.918,501 0.756,502 0.966,503 0.648,504 0.912,505 0.995,506 1.009,507 1.058,508 1.131,509 1.009,510 0.992,511 1.005,512 0.917,513 0.894,514 0.988,515 0.928,516 0.956,517 0.804,518 0.936,519 0.856,520 1.099,521 0.761,522 1.039,523 1.006,524 0.992,525 1.159,526 1.175,527 0.906,528 1.155,529 0.766,530 0.958,531 1.115,532 1.074,533 0.748,534 1.16,535 7.5,536 0.104,537 4.222,538 3.722,539 2.622,540 2.389,541 1.465,542 1.357,543 0.514,544 0.306,545 11182,546 45598,547 1.935,548 38.9,549 1,550 10,551 1,552 2,553 1,555 6,558 1.768,559 1.744,560 3.064,561 -0.262,563 1,567 102.908,568 1.906,569 4.193,570 5.204,571 5.292,572 5.329,573 5.329,574 2.487,575 4.658,576 5.015,577 3.268,578 1725.7,579 8.872,580 24567.9,585 310.764,586 1.723,587 4.925,588 0.214,589 0.007,590 0.083,591 0.065,592 0.039,593 0.034,594 0.02,595 0.021,596 0.009,597 0.01,598 0.502,599 0.33,600 0.88,601 1.377,602 168.361,603 -0.067,604 -0.152,605 0.012,606 -0.094,607 -0.098,608 -0.028,609 0.271,610 0.334,611 0.161,612 0.265,613 0.366,614 0.212,615 -0.074,616 -0.034,617 0.056,618 0.048,619 -0.035,620 0.065,621 -0.027,622 -0.047,623 0.005,624 -0.094,625 -0.027,626 -0.05,627 -0.151,628 -0.056,629 -0.05,630 -0.006,631 -0.127,632 -0.014,633 0.063,634 -0.07,635 0.068,636 -0.12,637 0.036,638 -0.08,639 -0.117,640 -0.206,641 -0.141,642 -0.205,643 -0.107,644 -0.17,645 0.314,646 -0.02,647 -0.038,648 -0.109,649 0.32,650 -0.179,651 5.981,652 5.729,653 0.515,654 28.237,655 1.041,656 1.146,657 2.91,658 8.471,659 0.664,660 3.584,661 3.951,662 4.234,663 4.554,664 4.771,665 4.963,666 5.094,667 5.215,668 5.182,669 5.182,670 5.791,671 0.661,672 483.91,673 3.584,674 5.153,675 6.019,676 6.936,677 7.832,678 8.76,679 9.668,680 10.6,681 11.514,682 12.449,683 5.6,691 1,692 1,693 1,699 6,700 1,704 3,705 1,706 11,723 1,724 54,726 15,727 1,728 35,730 56,731 22,733 9,734 3,735 3,736 6,739 3,740 3,741 1,745 3,749 1,750 1,753 15,754 7,755 1,756 4,761 1,764 1,765 6,770 3,772 21,773 9,774 1,775 11,776 1,778 1,779 3,784 1,785 4,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,837 1,838 3,840 33,845 1,846 2,848 2,850 1,852 1,861 4,862 7.4,864 1,865 1,866 1,867 1,869 18.917,870 10.705,871 7.333,872 3.097,874 2.55,875 1.341,876 0.929,877 7.68,878 10.022,879 3.818,880 4.416,881 4.964,882 5.519,883 5.954,884 6.32,885 6.698,886 7.045,887 7.318,888 7.559,889 0.833,890 57,891 12.953,893 6.218,894 8.37,895 22,897 17.529,899 2.87,900 94.694,904 235.422,905 128.101,906 35.47,907 39.149,908 89.828,909 44.88,911 128.101,912 364.399,913 80.35,914 28.533,915 6.698,916 37.476,917 140.479,918 100.875,919 11.771,920 200.109,921 46.908,922 235.422,923 163.571,924 134.708,925 39.149,927 164.795,928 194.335,929 11,931 68.459,932 75.57,933 58.691,935 280.302,936 125.298,937 167.249,940 243.182,941 36.666,942 85.575,944 207.428,945 235.422,946 170.179,947 167.249,949 0.586,950 0.349,951 0.198,952 0.106,953 23,954 13,955 0.125,956 7,958 1,959 3.867,960 324.586,962 17,963 159.71,968 25.034,969 10.124,970 5.162,972 168.279,973 8.092,974 3.965,978 -1.724,979 1.652,980 42.683,981 572.85,982 44.5,987 12.729,990 4.453,991 -0.972,994 56.196,995 61.863,996 0.331,997 0.729,998 0.904,999 0.919,1000 0.926,1001 0.926,1002 5.098,1003 1.75,1004 6.066,1005 5.453,1006 4.635,1007 5.103,1008 3.561,1009 6.982,1010 4.505,1011 6.346,1012 1.414,1013 7.7,1014 4.662,1015 4.511,1016 5.056,1017 3.941,1018 8.236,1019 4.266,1020 7.696,1021 1.278,1022 9.447,1023 3.661,1024 6.361,1025 7.296,1026 5.534,1027 11.346,1028 6.121,1029 9.083,1030 1.138,1031 11.259,1032 3.167,1033 7.031,1034 8.024,1035 6.695,1036 13.386,1037 6.684,1038 10.501,1039 0.931,1040 13.112,1041 2.584,1042 8.429,1043 9.775,1044 8.077,1045 16.092,1046 8.074,1047 11.941,1048 0.618,1049 14.994,1050 1.658,1051 9.421,1052 10.851,1053 9.389,1054 18.429,1055 8.984,1056 13.397,1057 0.401,1058 16.895,1059 1.372,1060 10.68,1061 12.408,1062 10.738,1063 21.011,1064 10.218,1065 3.451,1066 0.071,1067 18.811,1068 0.731,1069 11.803,1070 13.651,1071 12.074,1072 23.464,1073 11.279,1074 3.303,1075 12.817,1076 20.739,1077 0.168,1078 13.022,1079 15.127,1080 13.417,1081 26.009,1082 12.466,1083 2.748,1084 12.094,1085 22.676,1086 4.245,1087 14.198,1088 16.455,1089 14.758,1090 28.508,1091 13.595,1092 2.643,1093 9.399,1094 24.621,1095 3.988,1096 15.41,1097 17.896,1098 16.1,1099 31.042,1100 14.774,1101 2.495,1102 8.75,1103 26.571,1104 3.541,1105 16.61,1106 19.269,1107 17.441,1108 33.56,1109 15.935,1110 2.096,1111 7.233,1112 28.526,1113 3.432,1114 17.824,1115 20.697,1116 18.783,1117 36.092,1118 17.116,1119 1.825,1120 6.061,1121 30.485,1122 3.15,1123 19.035,1124 22.094,1125 20.124,1126 38.62,1127 18.294,1128 11363,1129 23140,1130 21.789,1131 35.881,1132 53.388,1133 53.382,1134 56.076,1135 52.617,1136 52.325,1137 65.692,1138 19.426,1139 159.624,1140 48.606,1141 5.646,1142 6.477,1143 7.078,1144 5.459,1145 5.451,1146 7.245,1147 5.5,1148 20.792,1149 5.348,1150 22.039,1151 1.525,1152 1.525,1153 1.602,1154 1.503,1155 1.495,1156 1.877,1157 0.555,1158 4.561,1159 1.389,1160 4.058,1161 4.086,1162 4.096,1163 3.979,1164 8.513,1165 3.983,1166 3.907,1167 3.958,1168 3.905,1169 3.755,1170 7.999,1171 3.772,1172 3.786,1173 3.814,1174 3.771,1175 3.632,1176 7.999,1177 3.656,1178 3.553,1179 3.59,1180 3.468,1181 3.335,1182 7.433,1183 3.355,1184 3.404,1185 3.441,1186 3.393,1187 3.192,1188 6.473,1189 3.192,1190 3.322,1191 3.37,1192 3.273,1193 3.057,1194 4.97,1195 3.094,1196 3.243,1197 3.31,1198 3.263,1199 2.993,1200 4.892,1201 3.012,1202 3.086,1203 3.152,1204 3.066,1205 2.907,1206 4.7,1207 2.904,1208 0.135,1209 0.128,1210 0.209,1211 0.126,1212 0.099,1213 4.715,1214 0.121,1215 4.477,1216 0.109,1217 7.309,1218 0.366,1219 4.402,1220 0.096,1221 3.451,1222 4.245,1223 3.825,1224 12.817,1225 3.348,1226 1.986,1227 1.971,1228 2.048,1229 2.076,1230 1.305,1231 2.069,1232 1.784,1233 1.76,1234 1.879,1235 1.919,1236 1.035,1237 1.908,1238 1.547,1239 1.494,1240 1.8,1241 1.772,1242 0.937,1243 1.763,1244 1.491,1245 1.433,1246 1.719,1247 1.747,1248 0.888,1249 1.75,1250 1.314,1251 1.262,1252 1.59,1253 1.579,1254 0.658,1255 1.575,1256 1.266,1257 1.207,1258 1.52,1259 1.525,1260 0.58,1261 1.517,1262 1.227,1263 1.159,1264 1.459,1265 1.479,1266 0.452,1267 1.483,1268 1.093,1269 1.057,1270 1.206,1271 1.41,1272 0.259,1273 1.329,1274 4.263,1276 5.617,1277 2.398,1278 7.166,1279 4.443,1280 8.818,1281 6.26,1282 10.531,1284 4.3,1285 6.23,1286 40.774,1289 10.795,1290 0.165,1292 10.193,1294 -1.227,1296 -4.731,1300 35.696,1301 102.908,1302 226.441,1303 280.989,1304 285.744,1305 287.744,1306 287.744,1307 116.598,1308 7.471,1309 85.94,1310 85.94,1311 17,1312 12.952,1313 4,1314 3.392,1315 63.141,1316 107,1317 118,1318 0.278,1319 221.571,1320 408.1,1321 532.392,1322 14667,1323 7.4,1324 24.336,1325 0.737,1326 0.568,1327 22.336,1328 18.737,1329 15.595,1330 0.446,1331 0.292,1332 9.629,1333 14.349,1334 9.357,1335 7.722,1336 14.672,1337 10.217,1338 14.669,1339 0.288,1340 0.146,1341 13.007,1342 7.454,1343 11.547,1344 0.17,1345 0.08,1346 11.341,1347 5.456,1348 10.107,1349 0.108,1350 0.043,1351 9.389,1352 3.998,1353 7.378,1354 0.063,1355 0.022,1356 7.118,1357 2.623,1358 0.412,1359 103.693,1360 0.214,1361 29.377,1362 0.853,1363 172,1364 784.828,1365 221.185,1366 690.28,1367 886.28,1368 638,1369 205,1370 590.276,1371 245.156,1372 585.288,1373 879.92,1374 545,1375 4.796} {0 CHEMBL351562,1 1.603,2 20.964,3 8.776,4 77.025,5 223.924,6 8.005,7 0.54,8 4.684,9 4.792,10 4.347,11 4.292,12 5.769,13 4.254,14 5.228,15 5.389,16 4.73,17 4.698,18 6.253,19 4.637,20 5.485,21 5.677,22 4.862,23 4.866,24 6.467,25 4.781,26 5.578,27 5.78,28 4.936,29 4.91,30 6.569,31 4.817,32 5.561,33 5.74,34 4.91,35 4.946,36 6.558,37 4.856,38 5.664,39 5.851,40 4.994,41 5.04,42 6.663,43 4.923,44 5.736,45 5.96,46 4.834,47 5.02,48 6.645,49 4.873,50 5.717,51 5.982,52 4.648,53 4.896,54 6.538,55 4.735,56 0.078,57 1.409,58 18.456,59 9.051,60 16.257,61 11.385,62 0.381,63 2.371,64 37.949,65 15.442,66 41.196,67 19.629,68 0.453,69 3.004,70 55.72,71 20.687,72 59.784,73 26.106,74 0.682,75 3.258,76 66.405,77 22.703,78 79.995,79 28.265,80 0.598,81 3.196,82 64.334,83 23.482,84 67.87,85 28.018,86 0.8,87 3.481,88 71.792,89 25.985,90 87.516,91 32.233,92 0.765,93 3.678,94 78.986,95 28.502,96 92.503,97 37.332,98 0.738,99 3.541,100 80.033,101 27.495,102 87.624,103 37.449,104 17,105 88,106 0.23,107 0.553,108 0.763,109 0.867,110 0.898,111 0.898,112 4.045,113 0.959,114 -7.53,115 -7.31,116 -6.75,118 44.9,119 2,120 4,124 5,126 1,140 15,141 7,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 22,171 3,172 17,180 25,185 2,186 22,194 16,197 2,198 29,206 18,209 2,210 17,218 25,221 4,222 14,229 33,233 5,234 12,242 25,246 1,247 15,255 19,259 20,267 14,270 8830,271 38.689,272 38.689,273 38.689,274 38.689,275 38.689,276 34.03,277 41.18,278 23.198,279 39.566,280 31.196,281 31.196,282 31.196,283 31.196,284 31.196,285 24.143,286 54.457,287 11.127,288 32.669,289 5.011,290 2.765,291 1.297,292 0.577,293 0.362,294 0.362,295 4.769,297 1,301 2624,302 4.796,305 220.205,306 887.175,307 162.942,309 183.414,310 458.259,313 3.575,314 43.397,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.47,325 118.833,326 1174,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.454,334 12.682,335 3.245,336 4.392,337 3.688,338 6.687,339 4.017,340 3.032,341 4.001,342 2.373,343 10.738,344 2.988,345 4.361,346 3.625,347 6.508,348 3.957,349 3.012,350 3.986,351 0.995,352 10.225,353 2.832,354 4.232,355 3.245,356 6.358,357 3.833,358 2.89,359 3.837,360 0.828,361 9.645,362 2.711,363 3.934,364 3.207,365 5.772,366 3.575,367 2.607,368 3.48,369 0.795,370 7.921,371 2.531,372 3.91,373 3.005,374 5.639,375 3.539,376 2.559,377 3.448,378 0.359,379 7.383,380 2.506,381 3.661,382 2.852,383 5.519,384 3.299,385 2.346,386 2.976,388 7.054,389 2.268,390 3.63,391 2.762,392 5.363,393 3.298,394 2.324,395 2.866,397 7.026,398 2.224,399 3.568,400 2.737,401 5.221,402 3.263,403 2.304,404 2.816,406 6.305,407 2.166,408 3.45,409 2.539,410 4.995,411 3.042,412 2.077,413 2.678,415 5.986,416 2,417 3.21,418 2.288,419 4.977,420 2.836,421 1.902,422 2.38,424 5.455,425 1.767,426 3.11,427 2.077,428 4.89,429 2.713,430 1.785,431 2.275,433 5.289,434 1.656,435 2.939,436 1.996,437 4.631,438 2.676,439 1.733,440 2.082,442 4.487,443 1.609,444 2.917,445 1.87,446 4.184,447 2.494,448 1.541,449 2.059,451 3.838,452 1.483,453 2.869,454 1.763,455 4.127,456 2.477,457 1.508,458 2.02,460 3.378,461 1.439,462 27.348,463 0.488,464 1.178,465 0.021,466 72.75,467 1.299,468 36.5,469 0.652,470 36.25,471 0.647,472 63.79,473 1.139,474 57.852,475 0.59,476 65.092,477 1.162,478 14.191,479 0.253,480 13.233,481 0.236,482 0.075,484 0.322,487 0.651,488 1.18,489 0.667,490 0.96,491 0.575,492 0.905,493 0.902,494 1.074,495 0.775,496 0.896,497 0.663,498 0.886,499 1.074,500 1.089,501 0.964,502 0.985,503 0.945,504 0.946,505 1.247,506 1.038,507 1.042,508 0.989,509 1.144,510 0.92,511 1.296,512 1.08,513 1.197,514 1.108,515 1.065,516 0.996,517 1.007,518 1.087,519 1.129,520 1.111,521 1.115,522 1.122,523 0.823,524 1.103,525 1.201,526 1.17,527 0.858,528 1.183,529 0.794,530 0.959,531 1.013,532 0.995,533 0.724,534 1.039,535 8.5,536 0.348,537 5.333,538 3.979,539 2.995,540 2.213,541 1.487,542 0.879,543 0.544,544 0.417,545 76745,546 198389,547 2.168,548 42.9,549 2,550 26,552 2,554 5,555 7,558 1.876,559 2.074,560 4.212,561 -0.782,567 157.143,568 1.603,569 3.85,570 5.317,571 6.038,572 6.252,573 6.252,574 3.698,575 5.629,576 5.773,577 4.518,578 6957.75,579 10.298,580 162252,585 648.242,586 1.235,587 5.758,588 0.135,589 0.005,590 0.061,591 0.041,592 0.031,593 0.022,594 0.015,595 0.01,596 0.007,597 0.006,598 0.332,599 0.17,600 0.5,601 0.376,602 353.325,603 0.101,604 -0.08,605 0.063,606 -0.016,607 0.041,608 0.005,609 0.046,610 0.003,611 0.068,612 0.059,613 0.057,614 0.043,615 -0.07,616 -0.031,617 0.013,618 0.013,619 -0.049,620 0.009,621 -0.079,622 0.016,623 0.039,624 0.047,625 -0.055,626 0.041,627 -0.139,628 -0.022,629 -0.12,630 -0.035,631 -0.08,632 -0.036,633 0.009,634 -0.056,635 -0.081,636 -0.084,637 -0.062,638 -0.152,639 0.021,640 -0.114,641 -0.144,642 -0.16,643 -0.034,644 -0.178,645 -0.001,646 0.003,647 -0.013,648 -0.023,649 -0.023,650 -0.015,651 1.88,652 5.241,653 0.732,654 100.548,655 1,656 1.117,657 6.303,658 39.724,659 0.7,660 4.159,661 4.489,662 4.804,663 5.13,664 5.407,665 5.591,666 5.826,667 6.052,668 6.227,669 6.372,670 12.048,671 0.661,672 784.45,673 4.159,674 5.714,675 6.581,676 7.473,677 8.362,678 9.268,679 10.172,680 11.087,681 12.001,682 12.924,683 7.1,686 1,691 1,692 2,693 3,699 17,700 3,703 1,704 12,705 1,706 34,708 1,709 1,723 1,724 98,726 37,727 3,728 63,730 105,731 44,733 29,734 5,735 13,736 2,739 8,740 14,741 1,745 2,748 2,751 5,753 32,754 12,756 3,761 1,764 2,765 3,772 42,773 9,775 12,776 2,779 7,784 0.625,785 3,795 1,801 2,802 5,803 1,805 1,806 2,819 1,828 1,832 5,834 1,836 2,837 1,840 56,846 9,848 2,850 1,851 1,856 1,859 1,861 1,862 3.1,865 1,867 2,869 27,870 18.46,871 12.25,872 6.14,874 5.875,875 1.568,876 1.009,877 11.908,878 16.223,879 4.431,880 5.027,881 5.629,882 6.234,883 6.747,884 7.075,885 7.54,886 7.976,887 8.376,888 8.722,889 0.929,890 96,891 20.726,893 8.856,894 7.585,895 40.248,897 33.665,899 2.085,900 116.778,904 494.386,905 280.255,906 91.32,907 39.149,908 47.364,910 31.278,911 248.977,912 580.899,913 91.32,914 17.65,915 25.64,916 142.144,917 116.159,918 108.251,919 1.358,920 502.122,921 39.149,922 494.386,923 340.298,924 47.364,925 70.426,927 411.989,928 129.761,931 108.179,932 182.007,933 89.26,934 31.278,935 494.386,936 138.684,937 319.404,940 494.386,941 102.366,942 182.912,944 172.809,945 494.386,946 138.684,947 319.404,949 0.577,950 0.339,951 0.193,952 0.109,953 42,954 18,955 0.133,956 14,957 3,958 1.146,959 6.235,960 652.925,961 0.146,962 41,963 321.212,964 1,968 38.05,969 17.526,970 8.624,972 136.785,973 33.58,974 13.352,977 1.805,978 12.194,979 2.187,981 952.474,982 83,987 12.241,990 9.837,991 1.424,994 97.999,995 109.454,996 0.242,997 0.582,998 0.804,999 0.913,1000 0.945,1001 0.945,1002 5.675,1003 2.324,1004 6.555,1005 7.054,1006 5.176,1007 5.717,1008 3.288,1009 7.388,1010 5.084,1011 6.874,1012 2.304,1013 8.119,1014 7.026,1015 4.691,1016 5.414,1017 2.283,1018 8.336,1019 4.541,1020 8.177,1021 2.077,1022 9.788,1023 6.305,1024 6.777,1025 7.886,1026 4.742,1027 11.508,1028 6.599,1029 9.519,1030 1.902,1031 11.524,1032 5.986,1033 7.171,1034 8.466,1035 4.278,1036 13.366,1037 6.929,1038 10.897,1039 1.785,1040 13.306,1041 5.455,1042 8.687,1043 10.364,1044 6.415,1045 16.06,1046 8.419,1047 12.303,1048 1.733,1049 15.12,1050 5.289,1051 9.499,1052 11.375,1053 6.178,1054 18.293,1055 9.164,1056 13.73,1057 1.541,1058 16.958,1059 4.487,1060 10.793,1061 13.028,1062 8.14,1063 20.843,1064 10.425,1065 3.434,1066 1.508,1067 18.815,1068 3.838,1069 11.806,1070 14.26,1071 8.025,1072 23.234,1073 11.373,1074 3.032,1075 12.682,1076 20.687,1077 3.378,1078 13.02,1079 15.803,1080 9.881,1081 25.747,1082 12.545,1083 3.012,1084 10.738,1085 22.571,1086 4.517,1087 14.129,1088 17.15,1089 9.847,1090 28.207,1091 13.591,1092 2.89,1093 10.225,1094 24.466,1095 4.001,1096 15.32,1097 18.647,1098 11.63,1099 30.715,1100 14.734,1101 2.607,1102 9.645,1103 26.369,1104 3.986,1105 16.476,1106 20.055,1107 11.656,1108 33.208,1109 15.829,1110 2.559,1111 7.921,1112 28.28,1113 3.837,1114 17.666,1115 21.536,1116 13.384,1117 35.722,1118 16.966,1119 2.346,1120 7.383,1121 30.196,1122 3.48,1123 18.846,1124 22.978,1125 13.458,1126 38.232,1127 18.087,1128 69961,1129 112736,1130 43.342,1131 68.614,1132 95.539,1133 97.808,1134 96.733,1135 94.402,1136 94.165,1137 122.883,1138 15.607,1139 270.717,1140 89.688,1141 5.724,1142 6,1143 7.012,1144 5.542,1145 5.434,1146 7.517,1147 4.827,1148 20.396,1149 5.245,1150 22.178,1151 1.516,1152 1.553,1153 1.535,1154 1.498,1155 1.495,1156 1.951,1157 0.248,1158 4.297,1159 1.424,1160 4.138,1161 4.17,1162 4.33,1163 4.088,1164 7.432,1165 4.06,1166 3.985,1167 4.017,1168 3.999,1169 3.918,1170 5.103,1171 3.915,1172 3.911,1173 3.939,1174 3.944,1175 3.846,1176 5.006,1177 3.839,1178 3.872,1179 3.899,1180 3.839,1181 3.826,1182 4.94,1183 3.809,1184 3.838,1185 3.89,1186 3.817,1187 3.719,1188 4.799,1189 3.723,1190 3.773,1191 3.812,1192 3.741,1193 3.631,1194 4.772,1195 3.65,1196 3.723,1197 3.769,1198 3.6,1199 3.568,1200 4.668,1201 3.564,1202 3.458,1203 3.524,1204 3.437,1205 3.284,1206 4.609,1207 3.286,1208 0.076,1209 0.063,1210 0.114,1211 0.069,1212 0.055,1213 4.777,1214 0.072,1215 4,1216 0.039,1217 7.189,1218 0.201,1219 4.376,1220 0.052,1221 3.434,1222 4.517,1223 2.454,1224 12.682,1225 3.245,1226 1.966,1227 1.94,1228 2.067,1229 2.062,1230 1.325,1231 2.066,1232 1.92,1233 1.901,1234 2.034,1235 1.998,1236 1.279,1237 2.01,1238 1.904,1239 1.877,1240 2.001,1241 1.995,1242 1.167,1243 2.003,1244 1.816,1245 1.778,1246 1.951,1247 1.948,1248 1.132,1249 1.954,1250 1.751,1251 1.716,1252 1.938,1253 1.887,1254 1.1,1255 1.906,1256 1.704,1257 1.653,1258 1.888,1259 1.864,1260 1.04,1261 1.876,1262 1.67,1263 1.626,1264 1.826,1265 1.85,1266 0.959,1267 1.846,1268 1.545,1269 1.498,1270 1.722,1271 1.726,1272 0.864,1273 1.732,1274 4.844,1276 6.172,1277 3.045,1278 7.689,1279 5.533,1280 9.298,1281 7.751,1282 10.959,1284 4.077,1285 6.808,1290 5.696,1292 11.251,1294 -0.17,1295 2.494,1300 64.791,1301 157.143,1302 377.3,1303 521.109,1304 591.712,1305 612.732,1306 612.732,1307 97.562,1308 10.348,1309 107.09,1310 135.33,1311 47,1312 13.433,1313 5.248,1314 4.392,1315 79.945,1316 405,1317 504,1318 0.093,1319 397.078,1320 692.41,1321 960.631,1322 662765,1323 1,1324 38.434,1325 0.686,1326 0.589,1327 39.287,1328 32.97,1329 27.424,1330 0.435,1331 0.32,1332 18.834,1333 25.844,1334 18.256,1335 15.075,1336 28.121,1337 20.136,1338 24.447,1339 0.278,1340 0.176,1341 25.433,1342 15.528,1343 21.039,1344 0.174,1345 0.096,1346 22.192,1347 11.571,1348 18.31,1349 0.109,1350 0.053,1351 19.72,1352 8.931,1353 15.359,1354 0.069,1355 0.03,1356 16.685,1357 6.552,1358 0.151,1359 177.67,1360 0.152,1361 47.619,1362 0.24,1363 302,1364 829.786,1365 366.321,1366 857.447,1367 1185.98,1368 808,1369 360,1370 856.279,1371 421.696,1372 890.492,1373 1309.08,1374 840,1375 6.333} {0 CHEMBL352075,1 1.451,2 13.313,3 3.642,4 13.265,5 120.091,6 7.009,7 0.353,8 4.221,9 4.322,10 3.721,11 3.699,12 5.31,13 3.683,14 4.784,15 4.938,16 4.069,17 4.059,18 5.886,19 4.029,20 5.055,21 5.229,22 4.143,23 4.22,24 6.073,25 4.162,26 5.188,27 5.41,28 4.08,29 4.266,30 6.107,31 4.181,32 5.122,33 5.327,34 4.112,35 4.335,36 6.048,37 4.226,38 5.281,39 5.542,40 4.095,41 4.348,42 6.115,43 4.221,44 5.173,45 5.399,46 4.039,47 4.271,48 6.086,49 4.162,50 5.143,51 5.391,52 3.978,53 4.225,54 6.051,55 4.106,56 0.049,57 0.814,58 14.031,59 6.404,60 14.413,61 8.038,62 0.482,63 1.278,64 27.002,65 10.113,66 61.838,67 13.081,68 0.706,69 1.584,70 36.516,71 12.864,72 70.86,73 16.755,74 0.868,75 1.727,76 43.347,77 14.226,78 84.093,79 19.073,80 0.429,81 1.793,82 37.985,83 14.846,84 58.528,85 20.273,86 0.641,87 1.962,88 46.944,89 16.173,90 76.52,91 23.063,92 0.666,93 1.763,94 41.847,95 14.47,96 75.32,97 19.857,98 0.825,99 1.711,100 41.182,101 13.742,102 76.123,103 19.411,104 35,105 46,106 0.234,107 0.576,108 0.783,109 0.842,110 0.857,111 0.868,112 3.502,113 0.949,114 -3.51,115 -3.48,116 -3.33,118 39.7,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 12,175 1,177 1,180 9,181 1,185 2,186 13,191 1,194 7,195 1,197 1,198 6,203 1,206 9,207 1,209 1,210 11,215 1,218 12,219 1,221 1,222 11,227 1,229 7,230 1,233 1,234 10,239 1,242 11,246 2,247 2,248 2,255 12,256 1,258 2,259 5,262 2,264 1,267 11,268 1,270 2068,271 21.377,272 21.377,273 21.377,274 21.377,275 21.377,276 19.46,277 25.06,278 12.904,279 21.837,280 16.747,281 16.747,282 16.747,283 16.747,284 16.747,285 13.973,286 30.258,287 6.101,288 17.429,289 4.527,290 2.411,291 1.131,292 0.766,293 0.671,294 0.607,295 4.183,299 1,300 1,301 884,302 4.359,306 352.084,313 2.164,314 35.334,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 70.5,326 426,327 4.428,328 3.802,329 7.315,330 4.361,331 3.408,332 3.675,333 2.341,334 12.546,335 3.242,336 4.143,337 3.597,338 6.5,339 3.953,340 2.984,341 3.585,342 1.465,343 10.191,344 2.889,345 3.983,346 3.333,347 5.496,348 3.564,349 2.606,350 3.333,351 0.86,352 7.314,353 2.49,354 3.567,355 2.887,356 5.252,357 3.257,358 2.268,359 2.744,360 0.86,361 6.436,362 2.237,363 3.52,364 2.636,365 5.159,366 3.219,367 2.225,368 2.715,369 0.811,370 6.258,371 2.193,372 3.414,373 2.402,374 4.716,375 3.05,376 2.12,377 2.639,379 5.184,380 1.955,381 3.115,382 2.196,383 4.658,384 2.696,385 1.721,386 2.201,388 4.878,389 1.67,390 2.85,391 1.936,392 4.128,393 2.516,394 1.559,395 1.93,397 3.653,398 1.49,399 2.606,400 1.861,401 3.637,402 2.438,403 1.458,404 1.598,406 3.137,407 1.419,408 2.5,409 1.405,410 3.48,411 2,412 1,413 1.5,415 2.477,416 1,417 2.5,418 1.221,419 3.414,420 1.958,421 1,422 1.5,424 2.275,425 0.955,426 2.17,427 1.155,428 3.284,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.247,438 1.773,439 0.78,440 0.834,442 1.673,443 0.769,444 1.728,445 1,446 3.024,447 1.448,448 0.587,449 0.647,451 0.989,452 0.5,453 1.286,454 0.74,455 2.755,456 1.038,457 0.074,458 0.084,460 0.171,461 0.07,462 14.9,463 0.466,464 0.786,465 0.025,466 35.5,467 1.109,468 15.5,469 0.484,470 20,471 0.625,472 32.854,473 1.027,474 36.7,475 0.583,476 28.657,477 0.896,478 7.132,479 0.223,480 8.254,481 0.258,482 0.145,483 0.034,484 0.235,487 0.848,488 1.348,489 0.843,490 1.274,491 0.793,492 1.091,493 1.053,494 1.107,495 0.934,496 1.075,497 0.622,498 0.993,499 1.262,500 1.144,501 1.132,502 1.14,503 0.998,504 1.117,505 1.37,506 0.807,507 1.083,508 0.821,509 0.915,510 0.885,511 0.722,512 1.265,513 1.037,514 1.267,515 0.569,516 1.227,517 0.781,518 0.935,519 0.876,520 0.94,521 0.562,522 0.927,523 1.075,524 1.044,525 1.073,526 1.037,527 0.834,528 1.055,529 0.903,530 0.856,531 0.976,532 0.863,533 0.789,534 0.917,535 7,536 0.219,537 3.556,538 1.875,539 1.707,540 1.236,541 0.708,542 0.592,543 0.381,544 0.201,545 13700,546 39244,547 2.004,548 49.2,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.748,559 1.873,560 3.651,561 -0.372,563 1,567 91.382,568 1.451,569 3.566,570 4.846,571 5.211,572 5.306,573 5.37,574 3.233,575 4.093,576 4.959,577 3.844,578 1906.78,579 8.702,580 28490.4,582 1,585 376.569,586 1.501,587 4.922,588 0.206,589 0.007,590 0.077,591 0.04,592 0.038,593 0.027,594 0.016,595 0.014,596 0.01,597 0.006,598 0.44,599 0.33,600 1,601 1.606,602 169.388,603 -0.035,604 -0.135,605 0.049,606 -0.092,607 -0.079,608 -0.017,609 0.048,610 -0.017,611 0.04,612 -0.014,613 0.149,614 0.009,615 -0.056,616 -0.117,617 -0.133,618 -0.119,619 -0.089,620 -0.138,621 -0.185,622 0.154,623 -0.064,624 0.144,625 -0.104,626 0.076,627 0.018,628 -0.217,629 -0.114,630 -0.211,631 0.012,632 -0.194,633 0.002,634 0.033,635 0.086,636 0.03,637 0.026,638 0.07,639 -0.1,640 -0.059,641 -0.093,642 -0.048,643 -0.089,644 -0.069,645 0.003,646 0.127,647 0.004,648 0.1,649 -0.042,650 0.063,651 2.464,652 3.695,653 0.563,654 40.492,655 1.005,656 1.127,657 2.277,658 5.187,659 0.637,660 3.555,661 3.85,662 4.043,663 4.248,664 4.489,665 4.554,666 4.682,667 4.754,668 4.771,669 4.804,670 7.635,671 0.607,672 441.57,673 3.555,674 5.081,675 5.9,676 6.763,677 7.607,678 8.48,679 9.339,680 10.219,681 11.086,682 11.971,683 1.6,693 1,699 8,700 1,704 3,706 12,722 2,724 63,726 14,727 1,728 34,730 65,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 31,773 7,774 1,775 7,779 1,784 1,785 6,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 32,845 1,846 4,848 4,850 3,852 1,862 9.5,864 1,865 1,866 2,867 2,869 17.083,870 11.817,871 7.181,872 3.642,874 1.838,875 1.25,876 0.898,877 8.682,878 9.188,879 3.761,880 4.234,881 4.615,882 5.043,883 5.514,884 5.493,885 5.728,886 5.937,887 6.045,888 6.251,889 1,890 47,891 11.868,893 4.932,894 7.81,895 22.551,897 18.049,899 2.31,900 73.917,903 1,904 353.133,905 149.576,906 16.786,908 111.828,911 149.576,912 464.961,913 16.786,914 28.533,915 12.196,916 76.17,917 131.066,918 53.767,919 11.771,920 317.82,922 353.133,923 166.362,924 111.828,927 270.735,928 172.226,929 22,930 0.36,931 47.941,932 82.323,933 35.738,935 353.133,936 128.613,937 149.576,940 353.493,941 26.778,942 122.438,944 128.613,945 353.133,946 128.613,947 149.576,949 0.571,950 0.315,951 0.16,952 0.09,953 19,954 9,955 0.154,956 10,958 1,959 4.283,960 276.82,962 18,963 154,968 24.244,969 11.459,970 7.052,972 128.613,973 14.835,974 4.248,978 2.436,980 42.683,981 631.323,982 42,987 10.695,989 3.903,991 -0.797,994 63.32,995 70.983,996 0.243,997 0.597,998 0.811,999 0.872,1000 0.888,1001 0.898,1002 4.997,1003 1.559,1004 5.894,1005 4.878,1006 4.533,1007 4.92,1008 2.897,1009 6.701,1010 4.453,1011 6.166,1012 1.458,1013 7.456,1014 3.653,1015 4.205,1016 4.559,1017 2.243,1018 7.861,1019 4.087,1020 7.45,1021 1,1022 9.139,1023 3.137,1024 6.159,1025 6.901,1026 3.91,1027 10.884,1028 5.999,1029 8.764,1030 1,1031 10.899,1032 2.477,1033 6.673,1034 7.272,1035 4.112,1036 12.921,1037 6.461,1038 10.109,1039 1,1040 12.714,1041 2.275,1042 8.131,1043 9.147,1044 5.316,1045 15.562,1046 7.881,1047 11.477,1048 0.78,1049 14.569,1050 2.136,1051 9.028,1052 9.862,1053 5.889,1054 17.908,1055 8.721,1056 12.862,1057 0.587,1058 16.452,1059 1.673,1060 10.307,1061 11.523,1062 6.894,1063 20.451,1064 9.96,1065 3.408,1066 0.074,1067 18.357,1068 0.989,1069 11.378,1070 12.432,1071 7.625,1072 22.906,1073 10.973,1074 2.984,1075 12.546,1076 20.278,1077 0.171,1078 12.598,1079 13.97,1080 8.544,1081 25.426,1082 12.149,1083 2.606,1084 10.191,1085 22.212,1086 3.675,1087 13.745,1088 15,1089 9.342,1090 27.919,1091 13.241,1092 2.268,1093 7.314,1094 24.156,1095 3.585,1096 14.951,1097 16.459,1098 10.223,1099 30.437,1100 14.398,1101 2.225,1102 6.436,1103 26.108,1104 3.333,1105 16.133,1106 17.57,1107 11.051,1108 32.947,1109 15.526,1110 2.12,1111 6.258,1112 28.067,1113 2.744,1114 17.338,1115 18.976,1116 11.915,1117 35.466,1118 16.681,1119 1.721,1120 5.184,1121 30.03,1122 2.715,1123 18.536,1124 20.142,1125 12.755,1126 37.984,1127 17.827,1128 13600,1129 23108,1130 22.246,1131 40.154,1132 50.402,1133 51.045,1134 50.955,1135 49.604,1136 49.582,1137 60.245,1138 12.674,1139 138.636,1140 47.568,1141 5.428,1142 5.802,1143 7.117,1144 5.436,1145 5.408,1146 6.675,1147 3.925,1148 19.977,1149 5.242,1150 17.261,1151 1.482,1152 1.501,1153 1.499,1154 1.459,1155 1.458,1156 1.772,1157 0.373,1158 4.078,1159 1.399,1160 3.988,1161 4.013,1162 3.919,1163 3.866,1164 7.474,1165 3.873,1166 3.893,1167 3.914,1168 3.834,1169 3.803,1170 6.351,1171 3.806,1172 3.759,1173 3.803,1174 3.663,1175 3.645,1176 4.967,1177 3.64,1178 3.698,1179 3.732,1180 3.597,1181 3.535,1182 4.896,1183 3.543,1184 3.556,1185 3.601,1186 3.436,1187 3.399,1188 4.756,1189 3.397,1190 3.327,1191 3.355,1192 3.219,1193 3.112,1194 4.538,1195 3.129,1196 3.24,1197 3.305,1198 3.062,1199 2.961,1200 4.368,1201 2.973,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.174,1207 2.791,1208 0.13,1209 0.112,1210 0.215,1211 0.128,1212 0.1,1213 4.428,1214 0.108,1215 3.802,1216 0.069,1217 7.315,1218 0.369,1219 4.361,1220 0.095,1221 3.408,1222 3.675,1223 2.341,1224 12.546,1225 3.242,1226 1.91,1227 1.883,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.869,1233 1.848,1234 1.983,1235 1.985,1236 1.149,1237 1.983,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.11,1243 1.906,1244 1.659,1245 1.621,1246 1.87,1247 1.847,1248 1.018,1249 1.852,1250 1.534,1251 1.485,1252 1.772,1253 1.728,1254 0.935,1255 1.743,1256 1.252,1257 1.216,1258 1.566,1259 1.513,1260 0.647,1261 1.524,1262 1.188,1263 1.115,1264 1.494,1265 1.495,1266 0.572,1267 1.494,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.234,1276 5.533,1278 7.026,1280 8.607,1282 10.239,1284 5.503,1289 8.791,1290 1.834,1292 23.931,1294 -0.722,1296 -0.739,1300 38.212,1301 91.382,1302 224.646,1303 305.284,1304 328.304,1305 334.304,1306 338.304,1307 76.723,1308 7.35,1309 87.11,1310 87.11,1311 18,1312 12.508,1313 3.907,1314 3.17,1315 61.026,1316 140,1317 166,1318 0.206,1319 235.751,1320 424.8,1321 566.993,1322 14663,1324 22.976,1325 0.718,1326 0.587,1327 22.976,1328 18.77,1329 15.386,1330 0.453,1331 0.316,1332 10.573,1333 14.652,1334 10.242,1335 8.52,1336 15.386,1337 10.756,1338 13.852,1339 0.301,1340 0.18,1341 13.852,1342 8.289,1343 10.623,1344 0.19,1345 0.095,1346 10.623,1347 5.311,1348 8.366,1349 0.121,1350 0.053,1351 8.366,1352 3.624,1353 6.78,1354 0.077,1355 0.028,1356 6.78,1357 2.466,1358 0.325,1359 97.574,1360 0.212,1361 30.2,1362 0.56,1363 160,1364 516.472,1365 181.537,1366 475.526,1367 631.53,1368 446,1369 182,1370 442.598,1371 202.988,1372 442.074,1373 641.42,1374 412,1375 7.387} {0 CHEMBL352120,1 1.594,2 21.185,3 8.775,4 77.006,5 218.016,6 7.645,7 0.467,8 4.691,9 4.807,10 4.312,11 4.272,12 5.735,13 4.226,14 5.255,15 5.433,16 4.69,17 4.677,18 6.232,19 4.605,20 5.518,21 5.73,22 4.825,23 4.852,24 6.448,25 4.757,26 5.583,27 5.789,28 4.911,29 4.919,30 6.546,31 4.814,32 5.615,33 5.814,34 4.865,35 4.961,36 6.547,37 4.849,38 5.699,39 5.907,40 4.935,41 5.035,42 6.613,43 4.898,44 5.76,45 6.002,46 4.767,47 5.001,48 6.605,49 4.841,50 5.723,51 5.991,52 4.573,53 4.885,54 6.512,55 4.71,56 0.095,57 1.459,58 20.742,59 9.597,60 16.497,61 12.461,62 0.417,63 2.427,64 42.391,65 16.296,66 43.052,67 21.617,68 0.582,69 3.041,70 61.756,71 21.446,72 62.985,73 28.237,74 0.655,75 3.266,76 68.428,77 23.034,78 76.735,79 30.128,80 0.667,81 3.329,82 71.03,83 25.179,84 73.448,85 31.803,86 0.782,87 3.565,88 79.565,89 27.791,90 80.24,91 36.181,92 0.768,93 3.679,94 83.34,95 28.898,96 85.819,97 39.452,98 0.725,99 3.437,100 81.051,101 27.341,102 82.004,103 38.15,104 35,105 83,106 0.23,107 0.545,108 0.775,109 0.882,110 0.902,111 0.902,112 4.009,113 1.004,114 -7.4,115 -7.18,116 -6.63,118 42,119 3,120 7,124 5,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 19,171 3,172 17,180 23,185 2,186 19,194 18,197 2,198 26,206 23,209 2,210 15,218 26,221 3,222 15,229 29,233 4,234 15,242 20,247 15,255 19,258 1,259 14,267 18,270 7464,271 37.25,272 37.25,273 37.25,274 37.25,275 37.25,276 33.342,277 40.536,278 22.477,279 38.233,280 29.662,281 29.662,282 29.662,283 29.662,284 29.662,285 23.643,286 48.01,287 10.662,288 31.21,289 5.05,290 2.86,291 1.265,292 0.518,293 0.383,294 0.383,295 4.726,297 1,301 2519,302 5.05,305 216.61,306 658.082,307 160.006,309 182.457,310 450.281,313 3.266,314 41.476,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.47,325 114.833,326 1144,327 4.777,328 4,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.391,337 3.681,338 6.687,339 4.014,340 3.027,341 4.001,342 2.373,343 10.738,344 2.987,345 4.361,346 3.624,347 6.508,348 3.957,349 3.014,350 3.985,351 0.916,352 10.223,353 2.832,354 4.231,355 3.236,356 6.358,357 3.829,358 2.887,359 3.837,360 0.795,361 9.642,362 2.706,363 3.912,364 3.197,365 5.757,366 3.519,367 2.525,368 3.475,369 0.286,370 7.655,371 2.511,372 3.664,373 2.983,374 5.602,375 3.381,376 2.45,377 2.974,378 0.172,379 7.303,380 2.297,381 3.655,382 2.772,383 5.484,384 3.35,385 2.373,386 2.846,388 7.187,389 2.274,390 3.551,391 2.735,392 5.21,393 3.269,394 2.336,395 2.825,397 6.268,398 2.17,399 3.486,400 2.664,401 5.039,402 3.065,403 2.083,404 2.7,406 6.066,407 2.046,408 3.251,409 2.345,410 5.029,411 2.946,412 2.01,413 2.389,415 5.856,416 1.869,417 3.118,418 2.131,419 4.977,420 2.728,421 1.793,422 2.259,424 5.293,425 1.678,426 3.035,427 2.032,428 4.644,429 2.704,430 1.774,431 2.198,433 4.503,434 1.624,435 2.873,436 1.884,437 4.184,438 2.535,439 1.562,440 2.029,442 3.879,443 1.515,444 2.841,445 1.829,446 4.142,447 2.478,448 1.539,449 1.947,451 3.38,452 1.427,453 2.794,454 1.751,455 3.908,456 2.355,457 1.414,458 1.84,460 3.352,461 1.345,462 26.348,463 0.488,464 1.11,465 0.021,466 65.25,467 1.208,468 30.5,469 0.565,470 34.75,471 0.644,472 66.235,473 1.227,474 57.652,475 0.577,476 56.161,477 1.04,478 12.279,479 0.227,480 14.127,481 0.262,482 0.097,484 0.315,487 0.655,488 1.257,489 0.701,490 1.024,491 0.571,492 0.97,493 0.881,494 1.106,495 0.775,496 0.919,497 0.627,498 0.907,499 1.114,500 1,501 0.928,502 0.89,503 0.936,504 0.866,505 1.104,506 1.072,507 1.037,508 1.023,509 1.085,510 0.958,511 1.19,512 1.071,513 1.173,514 1.099,515 1.121,516 1.015,517 0.827,518 1.14,519 1.125,520 1.159,521 0.778,522 1.136,523 0.764,524 1.08,525 1.143,526 1.128,527 0.642,528 1.143,529 0.79,530 1.004,531 1.044,532 1.047,533 0.657,534 1.083,535 8,536 0.303,537 5.333,538 3.917,539 2.844,540 2.067,541 1.488,542 0.767,543 0.513,544 0.38,545 68940,546 177405,547 2.131,548 46,549 6,550 21,552 2,554 5,555 12,558 1.866,559 2.025,560 4.227,561 -0.774,567 159.418,568 1.594,569 3.784,570 5.379,571 6.126,572 6.261,573 6.261,574 3.7,575 5.57,576 5.726,577 4.522,578 6470.5,579 10.187,580 149695,585 664.386,586 1.29,587 5.7,588 0.133,589 0.005,590 0.064,591 0.043,592 0.03,593 0.022,594 0.016,595 0.009,596 0.008,597 0.006,598 0.336,599 0.17,600 0.5,601 1.384,602 339.096,603 0.107,604 -0.098,605 0.066,606 -0.025,607 0.058,608 -0.001,609 0.064,610 -0.01,611 0.091,612 0.064,613 0.096,614 0.056,615 -0.08,616 0.06,617 0.064,618 0.118,619 -0.031,620 0.105,621 -0.054,622 0.002,623 0.033,624 0.028,625 -0.027,626 0.019,627 -0.124,628 -0.007,629 -0.105,630 -0.015,631 -0.111,632 -0.028,633 0.045,634 -0.098,635 -0.062,636 -0.1,637 -0.015,638 -0.134,639 0.015,640 -0.088,641 -0.114,642 -0.13,643 -0.007,644 -0.136,645 -0.025,646 -0.049,647 -0.069,648 -0.082,649 -0.032,650 -0.076,651 1.841,652 4.643,653 0.648,654 89.712,655 0.998,656 1.123,657 6.171,658 38.075,659 0.681,660 4.111,661 4.431,662 4.745,663 5.069,664 5.338,665 5.537,666 5.768,667 5.976,668 6.129,669 6.236,670 12.108,671 0.638,672 764.47,673 4.111,674 5.659,675 6.524,676 7.414,677 8.304,678 9.21,679 10.115,680 11.032,681 11.948,682 12.872,683 7,686 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 100,726 31,727 2,728 60,730 106,731 42,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 3,748 2,751 8,753 26,754 16,756 3,761 1,764 2,765 3,772 46,773 9,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,819 1,828 1,832 4,834 1,836 3,837 1,840 54,846 12,848 2,850 1,851 1,856 1,859 1,861 1,862 3,865 1,867 2,869 26.667,870 19.043,871 12,872 6.653,874 5.358,875 1.529,876 0.987,877 12.772,878 15.492,879 4.357,880 4.934,881 5.535,882 6.144,883 6.651,884 7.02,885 7.486,886 7.909,887 8.286,888 8.593,889 0.929,890 92,891 20.002,893 8.441,894 7.567,895 39.095,897 32.515,899 2.067,900 111.611,904 541.471,905 246.117,906 91.32,907 39.149,908 47.364,910 31.278,911 214.839,912 627.983,913 91.32,914 26.476,915 33.244,916 94.762,917 116.159,918 105.066,919 1.358,920 549.206,921 39.149,922 541.471,923 306.16,924 47.364,925 70.426,927 400.217,928 188.617,931 124.608,932 131.44,933 89.26,934 31.278,935 541.471,936 138.684,937 285.266,940 541.471,941 106.784,942 144.356,944 172.809,945 541.471,946 138.684,947 285.266,949 0.572,950 0.337,951 0.192,952 0.106,953 38,954 17,955 0.151,956 16,957 3,958 1.171,959 6.069,960 607.51,961 0.171,962 35,963 310.764,964 1,968 38.219,969 18.046,970 8.923,972 136.785,973 24.038,974 13.311,977 1.846,978 11.664,979 2.208,981 965.42,982 77,987 11.643,990 9.772,991 1.529,994 99.767,995 112.284,996 0.24,997 0.57,998 0.81,999 0.922,1000 0.942,1001 0.942,1002 5.602,1003 2.336,1004 6.497,1005 7.187,1006 5.118,1007 5.624,1008 3.222,1009 7.332,1010 5.02,1011 6.794,1012 2.083,1013 8.062,1014 6.268,1015 4.635,1016 5.352,1017 2.283,1018 8.296,1019 4.475,1020 8.097,1021 2.01,1022 9.736,1023 6.066,1024 6.718,1025 7.788,1026 4.716,1027 11.471,1028 6.532,1029 9.441,1030 1.793,1031 11.477,1032 5.856,1033 7.124,1034 8.414,1035 4.276,1036 13.344,1037 6.872,1038 10.823,1039 1.774,1040 13.264,1041 5.293,1042 8.635,1043 10.281,1044 6.397,1045 16.04,1046 8.357,1047 12.234,1048 1.562,1049 15.083,1050 4.503,1051 9.46,1052 11.333,1053 6.159,1054 18.282,1055 9.116,1056 13.667,1057 1.539,1058 16.927,1059 3.879,1060 10.753,1061 12.966,1062 8.121,1063 20.834,1064 10.375,1065 3.434,1066 1.414,1067 18.788,1068 3.38,1069 11.776,1070 14.227,1071 7.992,1072 23.229,1073 11.334,1074 3.027,1075 12.682,1076 20.665,1077 3.352,1078 12.99,1079 15.76,1080 9.86,1081 25.742,1082 12.507,1083 3.014,1084 10.738,1085 22.553,1086 4.517,1087 14.106,1088 17.126,1089 9.802,1090 28.204,1091 13.562,1092 2.887,1093 10.223,1094 24.45,1095 4.001,1096 15.299,1097 18.619,1098 11.606,1099 30.713,1100 14.706,1101 2.525,1102 9.642,1103 26.356,1104 3.985,1105 16.458,1106 20.038,1107 11.599,1108 33.207,1109 15.807,1110 2.45,1111 7.655,1112 28.269,1113 3.837,1114 17.65,1115 21.518,1116 13.355,1117 35.721,1118 16.946,1119 2.373,1120 7.303,1121 30.187,1122 3.475,1123 18.833,1124 22.967,1125 13.391,1126 38.232,1127 18.07,1128 64087,1129 103016,1130 40.857,1131 68.137,1132 90.285,1133 92.782,1134 92.343,1135 89.525,1136 89.266,1137 113.856,1138 13.972,1139 255.445,1140 84.756,1141 5.727,1142 6,1143 7.017,1144 5.541,1145 5.434,1146 7.517,1147 4.816,1148 20.396,1149 5.245,1150 24.922,1151 1.505,1152 1.546,1153 1.539,1154 1.492,1155 1.488,1156 1.898,1157 0.233,1158 4.257,1159 1.413,1160 4.135,1161 4.167,1162 4.329,1163 4.086,1164 7.432,1165 4.056,1166 3.992,1167 4.022,1168 4,1169 3.929,1170 5.102,1171 3.926,1172 3.873,1173 3.9,1174 3.944,1175 3.828,1176 5.005,1177 3.81,1178 3.838,1179 3.897,1180 3.818,1181 3.727,1182 4.94,1183 3.728,1184 3.808,1185 3.851,1186 3.749,1187 3.644,1188 4.799,1189 3.667,1190 3.746,1191 3.788,1192 3.63,1193 3.579,1194 4.658,1195 3.578,1196 3.609,1197 3.662,1198 3.547,1199 3.495,1200 4.621,1201 3.478,1202 3.524,1203 3.577,1204 3.393,1205 3.292,1206 4.467,1207 3.298,1208 0.08,1209 0.067,1210 0.12,1211 0.073,1212 0.057,1213 4.777,1214 0.075,1215 4,1216 0.041,1217 7.189,1218 0.211,1219 4.376,1220 0.054,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.969,1227 1.943,1228 2.084,1229 2.057,1230 1.376,1231 2.066,1232 1.923,1233 1.903,1234 2.011,1235 2.009,1236 1.279,1237 2.015,1238 1.823,1239 1.781,1240 1.972,1241 1.961,1242 1.27,1243 1.972,1244 1.79,1245 1.752,1246 1.952,1247 1.914,1248 1.12,1249 1.925,1250 1.711,1251 1.662,1252 1.919,1253 1.904,1254 1.085,1255 1.914,1256 1.671,1257 1.626,1258 1.826,1259 1.852,1260 1.039,1261 1.846,1262 1.605,1263 1.551,1264 1.818,1265 1.754,1266 0.947,1267 1.775,1268 1.529,1269 1.481,1270 1.8,1271 1.74,1272 0.94,1273 1.757,1274 4.796,1276 6.116,1277 3.045,1278 7.627,1279 5.533,1280 9.233,1281 7.751,1282 10.895,1284 5.921,1285 6.787,1290 9.684,1292 10.765,1294 -0.142,1295 2.584,1300 63.845,1301 159.418,1302 378.418,1303 537.882,1304 612.611,1305 626.121,1306 626.121,1307 99.945,1308 10.134,1309 107.09,1310 135.33,1311 41,1312 13.38,1313 5,1314 4.17,1315 82.546,1316 406,1317 470,1318 0.098,1319 394.069,1320 688.99,1321 953.289,1322 525467,1323 1,1324 37.442,1325 0.693,1326 0.606,1327 38.296,1328 32.705,1329 26.406,1330 0.44,1331 0.335,1332 18.777,1333 24.8,1334 18.19,1335 15.035,1336 27.103,1337 20.078,1338 23.203,1339 0.28,1340 0.183,1341 24.189,1342 15.21,1343 19.837,1344 0.174,1345 0.1,1346 20.989,1347 11.417,1348 17.297,1349 0.109,1350 0.056,1351 18.708,1352 8.873,1353 14.177,1354 0.068,1355 0.032,1356 15.51,1357 6.531,1358 0.161,1359 171.564,1360 0.156,1361 46.388,1362 0.25,1363 286,1364 781.786,1365 350.321,1366 806.075,1367 1113.57,1368 760,1369 340,1370 802.279,1371 400.865,1372 831.125,1373 1223.78,1374 786,1375 7.678} {0 CHEMBL352196,1 1.512,2 12.125,3 4.2,4 17.643,5 126.534,6 7.264,7 0.353,8 4.214,9 4.315,10 3.783,11 3.756,12 5.28,13 3.706,14 4.773,15 4.927,16 4.119,17 4.121,18 5.85,19 4.052,20 5.049,21 5.222,22 4.236,23 4.268,24 6.052,25 4.187,26 5.187,27 5.405,28 4.168,29 4.314,30 6.104,31 4.212,32 5.135,33 5.326,34 4.23,35 4.403,36 6.055,37 4.283,38 5.313,39 5.556,40 4.237,41 4.453,42 6.157,43 4.304,44 5.254,45 5.487,46 4.109,47 4.38,48 6.143,49 4.234,50 5.251,51 5.532,52 4.002,53 4.305,54 6.056,55 4.137,56 0.025,57 0.825,58 14.363,59 6.754,60 14.068,61 8.237,62 0.395,63 1.334,64 29.446,65 11.289,66 56.698,67 13.78,68 0.618,69 1.647,70 38.66,71 13.956,72 65.191,73 17.247,74 0.758,75 1.81,76 46.016,77 15.563,78 79.411,79 19.526,80 0.331,81 1.873,82 40.428,83 16.001,84 54.688,85 20.43,86 0.576,87 2.176,88 56.097,89 19.095,90 71.257,91 24.791,92 0.545,93 1.996,94 46.141,95 17.03,96 76.329,97 22.647,98 0.668,99 1.958,100 51.147,101 16.952,102 77.232,103 22.739,104 35,105 46,106 0.244,107 0.586,108 0.803,109 0.878,110 0.888,111 0.888,112 3.502,113 1.058,114 -4.27,115 -4.2,116 -3.97,118 39.7,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 9,175 1,177 1,180 10,181 1,185 2,186 12,191 1,194 8,195 1,197 1,198 7,203 1,206 8,207 1,210 9,215 1,218 14,219 1,221 1,222 13,227 1,229 9,230 1,233 1,234 10,239 1,242 9,247 2,248 2,255 12,256 1,258 2,259 4,262 2,264 1,267 13,268 1,270 2004,271 21.43,272 21.43,273 21.43,274 21.43,275 21.43,276 19.485,277 21.927,278 12.984,279 21.982,280 16.752,281 16.752,282 16.752,283 16.752,284 16.752,285 13.957,286 25.661,287 6.11,288 17.525,289 4.465,290 2.348,291 1.005,292 0.544,293 0.48,294 0.48,295 4.183,299 1,300 1,301 804,302 4.359,306 346.212,313 2.148,314 32.664,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 69.5,326 388,327 4.448,328 4.365,329 7.318,330 4.365,331 3.414,332 3.83,333 2.95,334 12.567,335 3.244,336 4.176,337 3.793,338 6.501,339 3.958,340 2.991,341 3.588,342 2.341,343 10.197,344 2.891,345 4.071,346 3.597,347 6.118,348 3.704,349 2.766,350 3.316,351 1.465,352 8.902,353 2.577,354 3.566,355 3.328,356 5.25,357 3.257,358 2.265,359 2.732,360 0.86,361 6.411,362 2.237,363 3.511,364 2.796,365 4.892,366 3.217,367 2.222,368 2.674,369 0.811,370 5.195,371 2.192,372 3.12,373 2.492,374 4.659,375 2.731,376 1.769,377 2.204,379 5.16,380 1.696,381 2.917,382 2.298,383 4.304,384 2.561,385 1.61,386 2.091,388 3.989,389 1.53,390 2.904,391 2.018,392 4.121,393 2.452,394 1.517,395 2.03,397 3.636,398 1.422,399 2.836,400 1.905,401 3.64,402 2.442,403 1.469,404 1.915,406 3.138,407 1.403,408 2.584,409 1.859,410 3.621,411 2.363,412 1.386,413 1.579,415 3.016,416 1.34,417 2.5,418 1.512,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.169,427 1.399,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1.216,437 3.235,438 1.772,439 0.779,440 0.833,442 1.671,443 0.768,444 1.721,445 1,446 3.01,447 1.365,448 0.532,449 0.615,451 0.903,452 0.431,453 1.286,454 0.742,455 2.737,456 1.037,457 0.074,458 0.084,460 0.171,461 0.07,462 15.4,463 0.481,464 0.769,465 0.024,466 35,467 1.094,468 15.5,469 0.484,470 19.5,471 0.609,472 35.124,473 1.098,474 36.2,475 0.575,476 27.052,477 0.845,478 6.593,479 0.206,480 8.81,481 0.275,482 0.141,483 0.032,484 0.227,487 0.83,488 1.232,489 0.811,490 1.102,491 0.792,492 1.041,493 0.969,494 1.119,495 1.043,496 1.127,497 0.581,498 1.016,499 1.274,500 1.115,501 1.011,502 1.074,503 0.988,504 1.081,505 1.505,506 0.791,507 1.003,508 0.789,509 0.916,510 0.855,511 0.994,512 1.189,513 1.01,514 1.122,515 0.648,516 1.173,517 0.816,518 1.051,519 1.085,520 1.137,521 0.557,522 1.027,523 1.008,524 1.066,525 0.914,526 0.98,527 0.775,528 1.098,529 0.961,530 0.727,531 0.883,532 0.74,533 0.744,534 0.778,535 6.5,536 0.182,537 3.778,538 2,539 1.787,540 1.444,541 0.628,542 0.483,543 0.447,544 0.256,545 13284,546 37900,547 2.004,548 49.2,549 4,550 14,551 1,552 2,553 1,554 2,555 6,556 1,558 1.749,559 1.873,560 3.539,561 -0.372,563 1,567 95.283,568 1.512,569 3.629,570 4.973,571 5.433,572 5.497,573 5.497,574 3.114,575 4.476,576 4.962,577 3.77,578 1869.84,579 8.712,580 27686.6,585 376.569,586 1.501,587 4.922,588 0.191,589 0.006,590 0.082,591 0.042,592 0.038,593 0.029,594 0.013,595 0.011,596 0.011,597 0.007,598 0.431,599 0.17,600 1,601 1.606,602 168.492,603 -0.03,604 -0.075,605 0.062,606 -0.012,607 -0.083,608 0.006,609 0.105,610 -0.037,611 -0.014,612 -0.05,613 0.166,614 -0.011,615 -0.001,616 -0.108,617 -0.056,618 -0.096,619 -0.073,620 -0.115,621 -0.189,622 0.162,623 -0.04,624 0.142,625 -0.089,626 0.091,627 -0.096,628 -0.167,629 -0.115,630 -0.134,631 -0.038,632 -0.173,633 0.011,634 -0.054,635 -0.031,636 -0.105,637 0.02,638 -0.024,639 -0.069,640 -0.112,641 -0.074,642 -0.082,643 -0.073,644 -0.125,645 -0.075,646 0.209,647 0.085,648 0.188,649 -0.04,650 0.195,651 2.458,652 3.709,653 0.563,654 38.375,655 1.001,656 1.122,657 3.037,658 9.221,659 0.656,660 3.555,661 3.85,662 4.06,663 4.277,664 4.511,665 4.564,666 4.654,667 4.727,668 4.812,669 4.868,670 7.369,671 0.614,672 457.64,673 3.555,674 5.081,675 5.905,676 6.772,677 7.623,678 8.5,679 9.365,680 10.248,681 11.121,682 12.009,683 1.6,693 1,699 8,700 1,704 3,706 12,722 1,724 63,726 14,727 1,728 34,730 65,731 25,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 31,773 6,774 1,775 7,776 1,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,833 1,834 1,836 3,840 32,845 1,846 4,848 3,849 1,850 3,852 1,862 7.9,864 1,865 1,866 2,867 1,869 17.083,870 11.817,871 7.208,872 3.649,874 1.898,875 1.258,876 0.906,877 9.03,878 9.248,879 3.761,880 4.234,881 4.63,882 5.063,883 5.511,884 5.468,885 5.684,886 5.908,887 6.088,888 6.305,889 1,890 48,891 11.888,893 4.948,894 7.758,895 22.755,897 18.356,899 2.258,900 72.25,903 1,904 353.133,905 174.41,906 16.786,908 100.828,910 32.22,911 142.191,912 453.961,913 16.786,914 24.841,915 12.196,916 76.17,917 131.066,918 39.074,919 11.771,920 350.039,922 353.133,923 158.976,924 100.828,925 32.22,927 270.735,928 161.226,929 22,930 0.36,931 47.941,932 74.937,933 35.738,934 32.22,935 353.133,936 117.613,937 174.41,940 353.493,941 55.305,942 118.746,944 117.613,945 353.133,946 117.613,947 174.41,949 0.57,950 0.319,951 0.167,952 0.094,953 19,954 9,955 0.154,956 10,958 1,959 4.232,960 280.069,962 18,963 158,964 1,968 24.626,969 11.735,970 6.991,972 117.613,973 15.421,974 4.263,978 2.855,980 42.683,981 645.157,982 42,987 10.709,989 3.924,991 -0.791,994 63.069,995 70.693,996 0.253,997 0.607,998 0.832,999 0.909,1000 0.92,1001 0.92,1002 4.997,1003 1.517,1004 5.9,1005 3.989,1006 4.533,1007 4.92,1008 3.528,1009 6.72,1010 4.445,1011 6.166,1012 1.469,1013 7.47,1014 3.636,1015 4.205,1016 4.559,1017 2.243,1018 7.901,1019 4.077,1020 7.452,1021 1.386,1022 9.163,1023 3.138,1024 6.168,1025 6.91,1026 5.3,1027 10.94,1028 5.993,1029 8.771,1030 1,1031 10.936,1032 3.016,1033 6.698,1034 7.318,1035 4.112,1036 12.982,1037 6.467,1038 10.123,1039 1,1040 12.762,1041 2.476,1042 8.159,1043 9.19,1044 7.327,1045 15.624,1046 7.888,1047 11.5,1048 0.779,1049 14.624,1050 2.136,1051 9.071,1052 9.969,1053 5.889,1054 17.963,1055 8.738,1056 12.895,1057 0.532,1058 16.512,1059 1.671,1060 10.351,1061 11.62,1062 9.43,1063 20.502,1064 9.977,1065 3.414,1066 0.074,1067 18.42,1068 0.903,1069 11.428,1070 12.604,1071 7.625,1072 22.948,1073 10.995,1074 2.991,1075 12.567,1076 20.341,1077 0.171,1078 12.648,1079 14.131,1080 11.561,1081 25.464,1082 12.17,1083 2.766,1084 10.197,1085 22.274,1086 3.83,1087 13.797,1088 15.238,1089 9.342,1090 27.954,1091 13.263,1092 2.265,1093 8.902,1094 24.216,1095 3.588,1096 15.001,1097 16.691,1098 13.706,1099 30.469,1100 14.419,1101 2.222,1102 6.411,1103 26.164,1104 3.316,1105 16.183,1106 17.874,1107 11.051,1108 32.977,1109 15.547,1110 1.769,1111 5.195,1112 28.118,1113 2.732,1114 17.386,1115 19.28,1116 15.858,1117 35.496,1118 16.701,1119 1.61,1120 5.16,1121 30.078,1122 2.674,1123 18.584,1124 20.513,1125 12.755,1126 38.013,1127 17.846,1128 13201,1129 22389,1130 22.246,1131 41.347,1132 50.399,1133 53.965,1134 51.09,1135 49.6,1136 49.587,1137 60.254,1138 16.854,1139 139.138,1140 47.322,1141 5.448,1142 6.365,1143 7.12,1144 5.446,1145 5.414,1146 6.83,1147 5.9,1148 20.047,1149 5.244,1150 17.066,1151 1.482,1152 1.587,1153 1.503,1154 1.459,1155 1.458,1156 1.772,1157 0.496,1158 4.092,1159 1.392,1160 3.987,1161 4.012,1162 4.02,1163 3.885,1164 7.474,1165 3.879,1166 3.887,1167 3.908,1168 3.885,1169 3.825,1170 6.351,1171 3.815,1172 3.759,1173 3.803,1174 3.67,1175 3.645,1176 4.949,1177 3.64,1178 3.695,1179 3.73,1180 3.606,1181 3.537,1182 4.852,1183 3.542,1184 3.553,1185 3.6,1186 3.471,1187 3.399,1188 4.711,1189 3.396,1190 3.324,1191 3.353,1192 3.414,1193 3.189,1194 4.391,1195 3.129,1196 3.209,1197 3.279,1198 3.213,1199 3.111,1200 4.318,1201 3.063,1202 2.967,1203 3.016,1204 2.827,1205 2.795,1206 4.066,1207 2.791,1208 0.131,1209 0.128,1210 0.215,1211 0.128,1212 0.1,1213 4.448,1214 0.113,1215 4.365,1216 0.087,1217 7.318,1218 0.37,1219 4.365,1220 0.095,1221 3.414,1222 3.83,1223 2.95,1224 12.567,1225 3.244,1226 1.91,1227 1.885,1228 2.047,1229 2.057,1230 1.362,1231 2.051,1232 1.874,1233 1.854,1234 1.972,1235 1.963,1236 1.15,1237 1.974,1238 1.749,1239 1.706,1240 1.926,1241 1.893,1242 1.116,1243 1.906,1244 1.66,1245 1.621,1246 1.869,1247 1.839,1248 1.041,1249 1.849,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.521,1259 1.505,1260 0.649,1261 1.495,1262 1.226,1263 1.166,1264 1.494,1265 1.407,1266 0.647,1267 1.493,1268 0.94,1269 0.888,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.234,1276 5.533,1278 7.031,1280 8.621,1282 10.264,1284 5.97,1289 8.802,1290 1.873,1292 18.977,1293 1.636,1294 -0.675,1296 -0.714,1300 38.684,1301 95.283,1302 228.646,1303 313.284,1304 342.304,1305 346.304,1306 346.304,1307 77.57,1308 7.35,1309 77.88,1310 103.18,1311 18,1312 12.543,1313 3.907,1314 3.17,1315 60.935,1316 136,1317 166,1318 0.213,1319 242.886,1320 434.52,1321 584.402,1322 14663,1324 22.976,1325 0.718,1326 0.612,1327 23.33,1328 19.586,1329 15.403,1330 0.453,1331 0.353,1332 10.728,1333 14.331,1334 10.25,1335 8.531,1336 15.961,1337 11.987,1338 13.769,1339 0.299,1340 0.198,1341 14.236,1342 9.112,1343 10.644,1344 0.187,1345 0.107,1346 11.175,1347 6.09,1348 8.545,1349 0.12,1350 0.059,1351 8.986,1352 4.189,1353 6.919,1354 0.077,1355 0.032,1356 7.292,1357 2.891,1358 0.334,1359 102.136,1360 0.212,1361 30.011,1362 0.585,1363 160,1364 487.597,1365 197.601,1366 475.446,1367 632.17,1368 446,1369 183,1370 430.766,1371 217.25,1372 443.051,1373 645.32,1374 413,1375 7.444} {0 CHEMBL352512,1 1.457,2 8.476,3 3.36,4 11.289,5 83.522,6 6.936,7 0.5,8 3.775,9 3.897,10 3.266,11 3.312,12 4.904,13 3.274,14 4.28,15 4.469,16 3.597,17 3.662,18 5.423,19 3.602,20 4.49,21 4.7,22 3.596,23 3.801,24 5.506,25 3.71,26 4.651,27 4.886,28 3.571,29 3.873,30 5.609,31 3.748,32 4.615,33 4.843,34 3.575,35 3.88,36 5.57,37 3.741,38 4.705,39 4.981,40 3.555,41 3.827,42 5.627,43 3.691,44 4.534,45 4.758,46 3.33,47 3.681,48 5.617,49 3.533,50 4.608,51 4.923,52 2.865,53 3.4,54 5.593,55 3.204,56 0.03,57 0.564,58 8.892,59 3.842,60 8.612,61 5.183,62 0.182,63 0.89,64 15.732,65 5.953,66 35.019,67 8.521,68 0.168,69 1.067,70 19.782,71 7.152,72 24.331,73 10.247,74 0.25,75 1.153,76 24.009,77 8.959,78 45.937,79 12.572,80 0.242,81 1.168,82 22.511,83 8.924,84 25.626,85 12.752,86 0.197,87 1.163,88 25.81,89 9.49,90 39.683,91 13.698,92 0.157,93 0.998,94 21.192,95 7.972,96 40.108,97 11.098,98 0.479,99 0.898,100 25.571,101 7.391,102 83.924,103 10.66,104 32,105 30,106 0.259,107 0.628,108 0.803,109 0.847,110 0.847,111 0.847,112 3.103,113 0.954,114 -3.19,115 -3.18,116 -3.06,118 41.5,119 3,120 1,126 1,133 1,134 1,140 4,141 1,143 2,150 2,154 1,163 1,167 1,168 6,169 1,172 9,175 1,177 1,180 6,181 2,186 6,191 2,194 5,198 2,199 1,206 13,207 1,209 2,210 3,213 1,215 1,218 9,219 1,222 2,227 1,229 8,230 3,234 6,239 3,242 5,243 1,247 2,252 1,255 2,256 1,259 2,260 1,264 1,267 1,268 1,270 601,271 13.69,272 13.69,273 13.69,274 13.69,275 13.69,276 11.937,277 15.209,278 8.143,279 13.875,280 10.836,281 10.836,282 10.836,283 10.836,284 10.836,285 8.227,286 15.884,287 3.845,288 11.137,289 3.901,290 1.821,291 0.836,292 0.592,293 0.592,294 0.592,295 3.756,298 1,299 1,300 1,301 361,302 3.606,305 63.409,306 73.222,313 1.451,314 17.231,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 45,326 178,327 4.494,328 3.595,329 6.749,330 4.105,331 3.157,332 4.159,333 1.437,334 10.968,335 2.995,336 4.021,337 3.299,338 5.772,339 3.643,340 2.644,341 3.457,342 0.68,343 7.65,344 2.628,345 3.873,346 2.738,347 5.442,348 3.48,349 2.494,350 3.333,352 7.133,353 2.455,354 3.199,355 2.195,356 4.964,357 2.901,358 1.92,359 2.389,361 5.443,362 1.88,363 3.087,364 2.039,365 4.771,366 2.816,367 1.837,368 2.172,370 4.919,371 1.794,372 2.85,373 1.732,374 3.61,375 2.366,376 1.398,377 1.984,379 3.028,380 1.35,381 2.598,382 1.445,383 3.512,384 2.029,385 1.025,386 1.5,388 2.358,389 1.013,390 2.5,391 1,392 3.465,393 1.956,394 1,395 1.458,397 2.136,398 0.953,399 2.143,400 0.8,401 3.247,402 1.75,403 0.774,404 1.028,406 1.867,407 0.753,408 1.258,409 0.443,410 2.825,411 1.032,412 0.051,413 0.058,415 0.134,416 0.049,417 0.899,418 0.301,419 2.34,420 0.601,421 -0.387,422 -0.472,424 -0.98,425 -0.381,426 0.526,427 -0.177,428 2,429 0.109,430 -0.868,431 -1,433 -2,434 -0.844,435 0.5,436 -0.641,437 1.805,439 -1,440 -1.12,442 -2,443 -0.961,444 0.427,445 -1,446 1.555,448 -1,449 -1.273,451 -2.101,452 -0.974,453 0.135,454 -1,455 1.523,456 -0.026,457 -1,458 -1.5,460 -2.347,461 -1,462 9.967,463 0.475,464 0.6,465 0.029,466 25.75,467 1.226,468 13,469 0.619,470 12.75,471 0.607,472 17.274,473 0.823,474 23.033,475 0.562,476 17.729,477 0.844,478 5.193,479 0.247,480 4.793,481 0.228,482 0.217,484 0.341,487 0.796,488 1.343,489 0.873,490 1.133,491 0.749,492 1.034,493 0.557,494 1.19,495 0.794,496 0.986,497 0.365,498 0.923,499 0.941,500 1.057,501 1.102,502 1.049,503 0.648,504 1.069,505 1.045,506 0.981,507 1.042,508 0.971,509 1.065,510 1.006,511 0.44,512 1.113,513 1.054,514 1.213,515 0.452,516 1.216,517 0.707,518 0.913,519 0.775,520 0.914,521 0.719,522 0.863,523 1.063,524 1.327,525 1.251,526 1.4,527 1.136,528 1.364,529 1.823,530 0.514,531 1.082,532 0.557,533 1.97,534 0.699,535 4.5,536 0.05,537 2.222,538 1.535,539 1.041,540 0.858,541 0.569,542 0.175,543 0.172,544 0.084,545 3825,546 10717,547 1.941,548 48.8,549 3,550 6,552 2,553 1,554 2,555 6,558 1.636,559 1.775,560 3.076,561 -0.338,562 1,563 1,565 1,567 59.734,568 1.457,569 3.536,570 4.522,571 4.766,572 4.766,573 4.766,574 2.57,575 3.916,576 4.361,577 3.227,578 677.623,579 7.494,580 7209.64,581 1,582 1,584 1,585 219.66,586 1.545,587 4.294,588 0.205,589 0.008,590 0.074,591 0.053,592 0.037,593 0.032,594 0.021,595 0.009,596 0.016,597 0.009,598 0.464,599 0.67,600 1,601 1.444,602 94.408,603 -0.045,604 -0.159,605 0.023,606 -0.033,607 -0.088,608 -0.006,609 0.2,610 -0.074,611 0.137,612 0.037,613 0.259,614 0.073,615 -0.136,616 0.055,617 -0.161,618 -0.061,619 -0.011,620 -0.097,621 -0.128,622 -0.002,623 -0.082,624 0.029,625 -0.125,626 -0.016,627 0.153,628 -0.077,629 -0.137,630 -0.199,631 0.037,632 -0.21,633 0.057,634 0.005,635 0.189,636 0.065,637 0.056,638 0.135,639 -0.086,640 -0.36,641 -0.293,642 -0.404,643 -0.085,644 -0.382,645 -0.277,646 0.297,648 0.312,649 -0.287,650 0.211,651 2.555,652 3.997,653 0.524,654 16.78,655 0.995,656 1.126,657 1.959,658 3.837,659 0.653,660 3.135,661 3.434,662 3.638,663 3.85,664 3.951,665 3.989,666 4.025,667 3.97,668 3.97,669 3.85,670 5.212,671 0.615,672 284.39,673 3.135,674 4.654,675 5.476,676 6.34,677 7.189,678 8.062,679 8.921,680 9.799,681 10.665,682 11.546,683 4.9,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 41,726 13,728 22,730 42,731 17,733 9,736 3,739 2,740 2,745 3,751 2,753 12,754 5,756 2,761 1,763 1,765 2,768 1,769 1,772 20,773 3,774 1,775 4,779 2,784 1,785 2,795 1,797 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 3,840 21,845 1,846 1,850 1,862 4.9,864 1,865 1,869 11.833,870 8.183,871 4.694,872 2.454,874 2.378,875 1.378,876 0.916,877 4.842,878 8.673,879 3.418,880 3.984,881 4.501,882 5.014,883 5.394,884 5.594,885 5.92,886 6.195,887 6.448,888 6.678,889 0.833,890 29,891 7.731,893 3.142,894 7.841,895 14.697,897 11.557,899 2.341,900 49.167,904 223.651,905 107.281,906 18.685,908 67.828,911 107.281,912 291.479,913 18.685,914 26.476,915 2.535,916 47.381,917 109.066,918 26.365,919 5.513,920 200.109,922 223.651,923 125.965,924 67.828,927 153.024,928 138.455,931 49.004,932 50.7,933 26.262,935 223.651,936 86.513,937 107.281,940 223.651,941 15.329,942 93.851,944 84.614,945 223.651,946 86.513,947 107.281,949 0.58,950 0.327,951 0.165,952 0.087,953 13,954 7,955 0.119,956 5,958 1,959 3.231,960 152.472,962 11,963 90.239,968 15.365,969 6.618,970 3.75,972 84.614,973 11.604,974 4.135,978 3.217,979 2.166,980 42.683,981 417.445,982 29.5,987 10.997,989 1.717,991 -0.553,994 40.811,995 46.152,996 0.272,997 0.66,998 0.844,999 0.89,1000 0.89,1001 0.89,1002 4.632,1003 1,1004 5.468,1005 2.358,1006 4.111,1007 4.668,1008 1.801,1009 6.26,1010 4.057,1011 5.844,1012 0.774,1013 7.024,1014 2.136,1015 3.761,1016 4.443,1018 7.182,1019 3.672,1020 7.144,1021 0.051,1022 8.684,1023 1.867,1024 5.68,1025 6.812,1026 2.297,1027 10.265,1028 5.56,1029 8.482,1030 -0.387,1031 10.404,1032 0.134,1033 6.133,1034 7.405,1036 12.056,1037 5.961,1038 9.851,1039 -0.868,1040 12.165,1041 -0.98,1042 7.561,1043 9.253,1044 2.933,1045 14.672,1046 7.358,1047 11.243,1048 -1,1049 13.955,1050 -2,1051 8.376,1052 10.236,1054 16.825,1055 8.111,1056 12.654,1057 -1,1058 15.766,1059 -2,1060 9.615,1061 11.853,1062 3.621,1063 19.289,1064 9.312,1065 3.157,1066 -1,1067 17.594,1068 -2.101,1069 10.599,1070 13.039,1072 21.59,1073 10.231,1074 2.644,1075 10.968,1076 19.436,1077 -2.347,1078 11.766,1079 14.546,1080 4.33,1081 24.005,1082 11.353,1083 2.494,1084 7.65,1085 21.289,1086 4.159,1087 12.831,1088 15.839,1090 26.364,1091 12.353,1092 1.92,1093 7.133,1094 23.152,1095 3.457,1096 13.974,1097 17.296,1098 5.048,1099 28.764,1100 13.444,1101 1.837,1102 5.443,1103 25.022,1104 3.333,1105 15.077,1106 18.646,1108 31.144,1109 14.484,1110 1.398,1111 4.919,1112 26.899,1113 2.389,1114 16.214,1115 20.081,1116 5.769,1117 33.54,1118 15.566,1119 1.025,1120 3.028,1121 28.781,1122 2.172,1123 17.337,1124 21.463,1126 35.929,1127 16.627,1128 3968,1129 6725,1130 13.929,1131 26.773,1132 33.394,1133 33.475,1134 34.168,1135 32.613,1136 32.598,1137 43.075,1138 4.233,1139 91.271,1140 31.741,1141 5.27,1142 5.595,1143 6.551,1144 5.141,1145 5.157,1146 7.159,1147 2.873,1148 17.792,1149 4.958,1150 12.449,1151 1.518,1152 1.522,1153 1.553,1154 1.482,1155 1.482,1156 1.958,1157 0.192,1158 4.149,1159 1.443,1160 4.059,1161 4.102,1162 4.009,1163 3.946,1164 7.475,1165 3.955,1166 3.833,1167 3.876,1168 3.77,1169 3.729,1170 6.351,1171 3.734,1172 3.635,1173 3.666,1174 3.561,1175 3.488,1176 4.91,1177 3.496,1178 3.455,1179 3.523,1180 3.273,1181 3.32,1182 4.754,1183 3.299,1184 3.089,1185 3.147,1186 2.967,1187 2.953,1188 4.181,1189 2.942,1190 2.996,1191 3.038,1192 2.821,1193 2.633,1194 4.088,1195 2.682,1196 2.874,1197 3.009,1198 2.62,1199 2.618,1200 3.844,1201 2.57,1202 2.762,1203 2.848,1204 2.499,1205 2.571,1206 3.719,1207 2.567,1208 0.204,1209 0.163,1210 0.307,1211 0.187,1212 0.144,1213 4.494,1214 0.189,1215 3.595,1216 0.065,1217 6.749,1218 0.499,1219 4.105,1220 0.136,1221 3.157,1222 4.159,1223 1.437,1224 10.968,1225 2.995,1226 1.881,1227 1.843,1228 2.009,1229 2.016,1230 1.221,1231 2.016,1232 1.775,1233 1.738,1234 1.938,1235 1.927,1236 1.083,1237 1.931,1238 1.633,1239 1.583,1240 1.839,1241 1.798,1242 0.941,1243 1.809,1244 1.45,1245 1.405,1246 1.648,1247 1.59,1248 0.738,1249 1.612,1250 1.222,1251 1.162,1252 1.476,1253 1.429,1254 0.587,1255 1.444,1256 0.934,1257 0.831,1258 1.417,1259 1.267,1260 0.469,1261 1.308,1262 0.899,1263 0.814,1264 1.204,1265 1.239,1266 0.297,1267 1.228,1268 0.85,1269 0.804,1270 1.074,1271 1.091,1272 0.072,1273 1.118,1274 3.807,1276 5.106,1277 2.398,1278 6.583,1279 4.727,1280 8.142,1281 6.823,1282 9.747,1284 5.807,1289 9.029,1290 0.784,1294 0.263,1300 25.214,1301 59.734,1302 144.989,1303 185.395,1304 195.395,1305 195.395,1306 195.395,1307 37.548,1308 6.295,1309 55.12,1310 55.12,1311 11,1312 12.085,1313 3.807,1314 3.087,1315 39.077,1316 63,1317 63,1318 0.305,1319 160.143,1320 277.24,1321 382.508,1322 3583,1324 15.405,1325 0.734,1326 0.599,1327 15.405,1328 12.576,1329 9.986,1330 0.454,1331 0.318,1332 6.923,1333 9.669,1334 6.611,1335 5.593,1336 9.986,1337 6.993,1338 9.116,1339 0.304,1340 0.179,1341 9.116,1342 5.384,1343 6.94,1344 0.188,1345 0.091,1346 6.94,1347 3.36,1348 5.437,1349 0.118,1350 0.052,1351 5.437,1352 2.395,1353 3.982,1354 0.078,1355 0.028,1356 3.982,1357 1.435,1358 0.465,1359 62.071,1360 0.268,1361 20.692,1362 0.874,1363 104,1364 297.175,1365 112.897,1366 291.263,1367 391.02,1368 270,1369 119,1370 282.653,1371 126.985,1372 289.369,1373 414.54,1374 270,1375 5.678} {0 CHEMBL352668,1 1.548,2 12.882,3 4.039,4 16.314,5 125.993,6 7.353,7 0.333,8 4.245,9 4.346,10 3.78,11 3.721,12 5.398,13 3.711,14 4.802,15 4.952,16 4.149,17 4.098,18 6.036,19 4.076,20 5.091,21 5.26,22 4.242,23 4.265,24 6.176,25 4.22,26 5.256,27 5.474,28 4.235,29 4.3,30 6.319,31 4.243,32 5.156,33 5.344,34 4.263,35 4.355,36 6.207,37 4.29,38 5.35,39 5.582,40 4.26,41 4.393,42 6.375,43 4.31,44 5.291,45 5.503,46 4.183,47 4.339,48 6.429,49 4.248,50 5.178,51 5.424,52 4.053,53 4.28,54 6.106,55 4.166,56 0.187,57 0.856,58 13.455,59 6.309,60 18.986,61 7.849,62 0.613,63 1.335,64 26.218,65 10.237,66 92.527,67 13.175,68 0.845,69 1.669,70 36.543,71 13.093,72 81.202,73 16.995,74 1.297,75 1.811,76 46.863,77 14.452,78 130.633,79 19.425,80 0.564,81 1.855,82 38.386,83 14.267,84 76.951,85 19.122,86 1.143,87 2.054,88 50.718,89 15.91,90 131.764,91 22.148,92 1.468,93 1.893,94 48.104,95 15.311,96 179.776,97 20.67,98 0.675,99 1.818,100 41.69,101 14.217,102 86.714,103 20.334,104 59,105 50,106 0.248,107 0.602,108 0.807,109 0.87,110 0.88,111 0.88,112 3.56,113 0.929,114 -4.12,115 -4.06,116 -3.84,118 39.1,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 2,142 2,143 2,154 1,162 2,163 1,167 1,168 11,169 1,171 2,172 10,175 1,177 1,180 11,181 1,185 3,186 15,191 1,194 7,195 1,197 3,198 13,203 1,206 7,207 1,210 16,215 1,218 12,219 1,221 3,222 15,227 1,229 9,230 1,233 5,234 10,239 1,242 11,247 6,248 2,255 10,256 1,258 2,259 10,262 2,264 1,267 11,268 1,270 2252,271 22.214,272 22.214,273 22.214,274 22.214,275 22.214,276 19.94,277 26.357,278 13.281,279 22.541,280 17.782,281 17.782,282 17.782,283 17.782,284 17.782,285 14.521,286 32.297,287 6.338,288 18.336,289 4.452,290 2.24,291 0.959,292 0.567,293 0.504,294 0.504,295 4.238,299 1,300 1,301 904,302 4.637,306 370.526,313 2.176,314 49.4,317 1,318 0.5,319 0.83,320 1,321 1,322 1,323 1,324 0.9,325 76,326 438,327 4.498,328 3.855,329 7.319,330 4.369,331 3.417,332 4.149,333 2.612,334 12.574,335 3.247,336 4.319,337 3.755,338 6.505,339 3.977,340 3.011,341 3.591,342 2.341,343 10.209,344 2.905,345 4.124,346 3.597,347 6.41,348 3.894,349 2.921,350 3.368,351 1.465,352 9.761,353 2.84,354 3.671,355 3.329,356 5.253,357 3.257,358 2.267,359 3.136,360 0.86,361 6.417,362 2.238,363 3.567,364 2.819,365 5.057,366 3.218,367 2.223,368 2.734,369 0.811,370 5.857,371 2.193,372 3.516,373 2.52,374 4.961,375 3.172,376 2.181,377 2.689,379 5.521,380 2.158,381 3.326,382 2.358,383 4.662,384 2.872,385 1.919,386 2.571,388 5.183,389 1.819,390 3.114,391 2.184,392 4.655,393 2.679,394 1.702,395 2.201,397 4.678,398 1.656,399 2.85,400 1.939,401 4.128,402 2.507,403 1.55,404 1.93,406 3.65,407 1.483,408 2.624,409 1.861,410 3.638,411 2.438,412 1.456,413 1.609,415 3.137,416 1.419,417 2.59,418 1.412,419 3.613,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.361,428 3.48,429 1.958,430 1,431 1.5,433 2.423,434 0.955,435 2.17,436 1.216,437 3.287,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.919,445 1,446 3.247,447 1.773,448 0.78,449 0.833,451 1.673,452 0.769,453 1.47,454 1,455 3.022,456 1.16,457 0.229,458 0.269,460 0.574,461 0.21,462 15.633,463 0.46,464 1.002,465 0.029,466 39.25,467 1.154,468 18,469 0.529,470 21.25,471 0.625,472 35.336,473 1.039,474 38.967,475 0.609,476 33.965,477 0.999,478 7.73,479 0.227,480 8.44,481 0.248,482 0.181,483 0.032,484 0.281,487 0.662,488 1.275,489 0.784,490 1.214,491 0.638,492 1.064,493 0.791,494 1.146,495 0.836,496 1.112,497 0.445,498 1.005,499 1.053,500 1.198,501 1.064,502 1.205,503 0.734,504 1.153,505 1.224,506 0.81,507 0.993,508 0.801,509 0.773,510 0.838,511 0.897,512 1.286,513 1.026,514 1.269,515 0.68,516 1.192,517 1.034,518 0.906,519 1.018,520 0.944,521 0.878,522 0.966,523 1.115,524 0.949,525 1.135,526 0.96,527 1.129,528 1.046,529 0.73,530 1.039,531 0.945,532 1.055,533 0.601,534 1.045,535 8,536 0.293,537 4.222,538 2.438,539 2.178,540 1.632,541 0.83,542 0.576,543 0.5,544 0.352,545 15410,546 49008,547 1.97,548 46.9,549 7,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.764,559 1.813,560 3.603,561 -0.334,563 1,567 99.045,568 1.548,569 3.76,570 5.041,571 5.433,572 5.496,573 5.496,574 3.131,575 4.352,576 5.051,577 3.828,578 2147.59,579 8.888,580 33126.3,585 384,586 1.627,587 4.992,588 0.222,589 0.008,590 0.084,591 0.047,592 0.042,593 0.03,594 0.016,595 0.012,596 0.012,597 0.009,598 0.482,599 0.33,600 0.88,601 1.608,602 182.404,603 0.067,604 -0.031,605 0.048,606 -0.033,607 -0.041,608 -0.01,609 0.131,610 -0.042,611 0.081,612 -0.024,613 0.216,614 0.012,615 -0.019,616 -0.158,617 -0.108,618 -0.165,619 -0.045,620 -0.161,621 -0.084,622 0.129,623 0.029,624 0.161,625 -0.003,626 0.127,627 -0.078,628 -0.222,629 -0.104,630 -0.218,631 -0.011,632 -0.175,633 -0.075,634 0.072,635 -0.026,636 0.015,637 -0.06,638 0.011,639 -0.017,641 -0.13,642 0.017,643 -0.081,644 -0.073,645 -0.031,646 -0.04,647 -0.002,648 -0.06,649 -0.029,650 -0.025,651 2.499,652 4.518,653 0.529,654 41.896,655 1.014,656 1.129,657 2.888,658 8.341,659 0.638,660 3.611,661 3.932,662 4.127,663 4.357,664 4.605,665 4.663,666 4.762,667 4.787,668 4.875,669 4.977,670 7.646,671 0.616,672 470.57,673 3.611,674 5.153,675 5.979,676 6.855,677 7.71,678 8.594,679 9.463,680 10.352,681 11.229,682 12.121,683 3.1,693 1,694 1,699 7,700 1,704 4,706 12,718 1,722 1,724 64,726 16,727 1,728 36,730 66,731 25,733 11,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,753 14,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 30,773 8,774 1,775 9,779 2,784 1,785 7,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 34,845 1,846 4,848 3,850 3,852 1,862 10.9,864 1,865 1,866 2,867 1,868 2,869 18.75,870 12.1,871 7.486,872 3.751,874 2.117,875 1.282,876 0.896,877 8.783,878 9.612,879 3.85,880 4.369,881 4.754,882 5.22,883 5.698,884 5.73,885 5.964,886 6.024,887 6.195,888 6.503,889 0.889,890 52,891 12.657,893 5.404,894 8.032,895 23.547,897 18.987,899 2.532,900 86.083,904 341.362,905 138.741,906 22.456,908 151.575,911 138.741,912 492.937,913 22.456,914 32.146,915 12.196,916 66.693,917 131.066,918 43.466,919 11.771,920 306.049,921 50.747,922 341.362,923 161.197,924 151.575,927 258.964,928 161.226,929 72.747,930 0.36,931 56.766,932 62.662,933 41.408,935 341.362,936 174.03,937 138.741,940 341.722,941 27.477,942 116.574,944 168.36,945 341.362,946 174.03,947 138.741,949 0.581,950 0.317,951 0.165,952 0.096,953 21,954 11,955 0.152,956 10,958 1,959 4.322,960 307.14,962 18,963 168.974,968 25.824,969 11.563,970 7.102,972 168.36,973 12.004,974 4.207,978 1.682,980 42.683,981 654.133,982 46,985 -0.466,987 33.742,989 3.797,991 -0.832,994 64.865,995 72.275,996 0.258,997 0.627,998 0.84,999 0.906,1000 0.916,1001 0.916,1002 5.1,1003 1.702,1004 5.994,1005 5.183,1006 4.615,1007 5.056,1008 3.327,1009 6.825,1010 4.55,1011 6.298,1012 1.55,1013 7.575,1014 4.678,1015 4.369,1016 4.89,1017 2.946,1018 7.999,1019 4.271,1020 7.604,1021 1.456,1022 9.274,1023 3.65,1024 6.263,1025 7.12,1026 4.714,1027 11.039,1028 6.123,1029 8.94,1030 1,1031 11.046,1032 3.137,1033 6.825,1034 7.711,1035 5.015,1036 13.058,1037 6.638,1038 10.307,1039 1,1040 12.868,1041 2.477,1042 8.256,1043 9.485,1044 6.371,1045 15.703,1046 8.028,1047 11.696,1048 1,1049 14.725,1050 2.423,1051 9.176,1052 10.438,1053 6.969,1054 18.027,1055 8.892,1056 13.101,1057 0.78,1058 16.608,1059 2.136,1060 10.443,1061 12.023,1062 8.135,1063 20.564,1064 10.116,1065 3.417,1066 0.229,1067 18.509,1068 1.673,1069 11.521,1070 13.17,1071 8.883,1072 23.001,1073 11.137,1074 3.011,1075 12.574,1076 20.425,1077 0.574,1078 12.734,1079 14.667,1080 9.951,1081 25.512,1082 12.302,1083 2.921,1084 10.209,1085 22.353,1086 4.149,1087 13.881,1088 15.925,1089 10.78,1090 27.994,1091 13.393,1092 2.267,1093 9.761,1094 24.29,1095 3.591,1096 15.08,1097 17.377,1098 11.796,1099 30.505,1100 14.542,1101 2.223,1102 6.417,1103 26.233,1104 3.368,1105 16.258,1106 18.701,1107 12.672,1108 33.008,1109 15.665,1110 2.181,1111 5.857,1112 28.183,1113 3.136,1114 17.458,1115 20.132,1116 13.659,1117 35.523,1118 16.812,1119 1.919,1120 5.521,1121 30.138,1122 2.734,1123 18.652,1124 21.494,1125 14.565,1126 38.038,1127 17.952,1128 15381,1129 27565,1130 23.057,1131 40.852,1132 54.183,1133 55.889,1134 55.139,1135 53.404,1136 53.419,1137 66.725,1138 16.179,1139 152.794,1140 51.696,1141 5.498,1142 5.855,1143 7.121,1144 5.448,1145 5.417,1146 7.149,1147 4.612,1148 20.08,1149 5.247,1150 20.993,1151 1.505,1152 1.552,1153 1.532,1154 1.483,1155 1.484,1156 1.853,1157 0.449,1158 4.244,1159 1.436,1160 4.028,1161 4.049,1162 3.986,1163 3.896,1164 7.815,1165 3.908,1166 3.942,1167 3.971,1168 3.88,1169 3.83,1170 7.474,1171 3.835,1172 3.761,1173 3.805,1174 3.668,1175 3.645,1176 6.999,1177 3.641,1178 3.705,1179 3.74,1180 3.604,1181 3.54,1182 6.351,1183 3.547,1184 3.56,1185 3.605,1186 3.478,1187 3.401,1188 4.946,1189 3.399,1190 3.516,1191 3.546,1192 3.434,1193 3.126,1194 4.838,1195 3.193,1196 3.326,1197 3.354,1198 3.217,1199 3.106,1200 4.698,1201 3.129,1202 3.109,1203 3.181,1204 2.938,1205 2.905,1206 4.393,1207 2.915,1208 0.125,1209 0.107,1210 0.203,1211 0.121,1212 0.095,1213 4.498,1214 0.115,1215 3.855,1216 0.073,1217 7.319,1218 0.349,1219 4.369,1220 0.09,1221 3.417,1222 4.149,1223 2.612,1224 12.574,1225 3.247,1226 1.933,1227 1.913,1228 2.05,1229 2.099,1230 1.362,1231 2.068,1232 1.901,1233 1.872,1234 2.024,1235 2.044,1236 1.161,1237 2.035,1238 1.749,1239 1.706,1240 1.927,1241 1.895,1242 1.133,1243 1.906,1244 1.665,1245 1.627,1246 1.879,1247 1.86,1248 1.077,1249 1.863,1250 1.536,1251 1.487,1252 1.772,1253 1.732,1254 0.935,1255 1.744,1256 1.287,1257 1.243,1258 1.528,1259 1.7,1260 0.647,1261 1.619,1262 1.251,1263 1.214,1264 1.494,1265 1.506,1266 0.589,1267 1.495,1268 1.075,1269 1.016,1270 1.417,1271 1.343,1272 0.469,1273 1.364,1274 4.29,1276 5.609,1278 7.116,1280 8.713,1282 10.363,1284 5.325,1289 8.794,1290 1.548,1292 18.456,1294 -1.149,1296 -1.025,1300 39.422,1301 99.045,1302 240.668,1303 322.616,1304 347.735,1305 351.735,1306 351.735,1307 103.495,1308 7.496,1309 123.7,1310 123.7,1311 18,1312 12.652,1313 4.087,1314 3.459,1315 67.087,1316 153,1317 182,1318 0.212,1319 243.615,1320 441.95,1321 586.179,1322 17555,1324 24.717,1325 0.727,1326 0.575,1327 24.717,1328 19.548,1329 16.17,1330 0.449,1331 0.31,1332 10.964,1333 15.35,1334 10.629,1335 8.838,1336 16.17,1337 11.15,1338 15.143,1339 0.303,1340 0.177,1341 15.143,1342 8.842,1343 11.22,1344 0.184,1345 0.091,1346 11.22,1347 5.555,1348 9.012,1349 0.117,1350 0.05,1351 9.012,1352 3.817,1353 7.522,1354 0.076,1355 0.027,1356 7.522,1357 2.666,1358 0.333,1359 103.057,1360 0.208,1361 31.488,1362 0.582,1363 172,1364 599.853,1365 196.836,1366 556.189,1367 726.94,1368 514,1369 197,1370 514.417,1371 221.704,1372 508.319,1373 736.13,1374 473,1375 7.645} {0 CHEMBL352763,1 1.512,2 8.526,3 2.634,4 6.936,5 74.356,6 7.324,7 0.55,8 3.633,9 3.748,10 3.173,11 3.175,12 4.816,13 3.151,14 4.109,15 4.287,16 3.486,17 3.517,18 5.326,19 3.473,20 4.268,21 4.448,22 3.455,23 3.629,24 5.369,25 3.547,26 4.442,27 4.668,28 3.301,29 3.617,30 5.457,31 3.489,32 4.351,33 4.617,34 3.375,35 3.539,36 5.328,37 3.431,38 4.279,39 4.489,40 3.275,41 3.468,42 5.429,43 3.365,44 4.241,45 4.522,46 2.792,47 3.221,48 5.225,49 3.058,50 3.831,51 4.111,52 2.546,53 2.87,54 4.814,55 2.726,56 0.022,57 0.486,58 7.086,59 3.159,60 7.993,61 4.103,62 0.182,63 0.755,64 12.63,65 4.815,66 33.078,67 6.665,68 0.092,69 0.861,70 14.729,71 5.95,72 18.262,73 8.056,74 0.234,75 0.93,76 19.343,77 7.035,78 47.372,79 9.622,80 0.267,81 0.87,82 18.049,83 6.435,84 24.616,85 9.38,86 0.105,87 0.799,88 15.85,89 5.984,90 25.832,91 8.158,92 0.283,93 0.687,94 17.298,95 5.546,96 52.785,97 7.782,98 0.149,99 0.452,100 11.281,101 3.875,102 28.852,103 5.439,104 20,105 27,106 0.278,107 0.661,108 0.829,109 0.882,110 0.882,111 0.882,112 3.009,113 0.904,114 -2.7,115 -2.71,116 -2.64,118 42.9,119 1,120 1,123 1,133 1,134 1,140 4,141 1,143 2,150 2,154 1,163 1,167 1,168 6,169 1,172 7,175 1,177 1,180 5,181 2,186 6,191 2,194 5,198 2,199 1,206 5,207 1,209 2,210 3,213 1,215 1,218 5,219 1,222 2,227 1,229 4,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 2,260 1,264 1,267 1,268 1,270 419,271 12.483,272 12.483,273 12.483,274 12.483,275 12.483,276 10.653,277 12.047,278 7.434,279 12.657,280 9.836,281 9.836,282 9.836,283 9.836,284 9.836,285 7.211,286 13.384,287 3.532,288 10.105,289 3.617,290 1.533,291 0.615,292 0.329,293 0.329,294 0.329,295 3.662,298 1,299 1,300 1,301 331,302 3.162,305 56.209,306 66.338,313 1.551,314 15.682,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 162,327 4.423,328 3.594,329 6.444,330 4.003,331 3.048,332 4.105,333 1.437,334 9.885,335 2.914,336 4.014,337 3.193,338 5.761,339 3.636,340 2.638,341 3.457,342 0.68,343 7.637,344 2.62,345 3.859,346 2.684,347 5.413,348 3.445,349 2.461,350 3.321,352 7.007,353 2.416,354 3.199,355 2.162,356 4.949,357 2.817,358 1.837,359 2.389,361 5.433,362 1.795,363 2.867,364 1.799,365 3.922,366 2.38,367 1.414,368 2.001,370 3.097,371 1.362,372 2.606,373 1.45,374 3.59,375 2.127,376 1.165,377 1.593,379 2.828,380 1.117,381 2.562,382 1.261,383 3.501,384 2.029,385 1.025,386 1.5,388 2.356,389 1.013,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.457,397 2.136,398 0.953,399 1.385,400 0.505,401 2.851,402 1.188,403 0.204,404 0.231,406 0.498,407 0.2,408 0.945,409 0.416,410 2.351,411 0.637,412 -0.346,413 -0.426,415 -0.85,416 -0.338,417 0.606,418 -0.124,419 2,420 0.205,421 -0.766,422 -0.968,424 -1.836,425 -0.741,426 0.5,427 -0.52,428 1.706,430 -1,431 -1.272,433 -2,434 -0.961,435 0.427,436 -0.92,437 1.555,438 -0.025,439 -1,440 -1.432,442 -2.347,443 -0.972,444 0.254,445 -1,446 1.426,447 -0.137,448 -1.096,449 -1.5,451 -2.708,452 -1.046,453 -0.066,454 -1.125,455 1.322,456 -0.437,457 -1.414,458 -1.691,460 -3.957,461 -1.397,462 8.967,463 0.472,464 0.511,465 0.027,466 24.75,467 1.303,468 13,469 0.684,470 11.75,471 0.618,472 12.844,473 0.676,474 20.433,475 0.584,476 16.676,477 0.878,478 5.233,479 0.275,480 3.843,481 0.202,482 0.186,484 0.323,487 0.8,488 1.324,489 0.818,490 1.086,491 0.737,492 0.977,493 0.607,494 1.041,495 0.793,496 0.883,497 0.385,498 0.853,499 0.824,500 1.214,501 1.117,502 1.23,503 0.67,504 1.212,505 1.146,506 1.106,507 1.206,508 1.112,509 1.197,510 1.168,511 0.439,512 0.73,513 0.707,514 0.769,515 0.411,516 0.773,517 0.984,518 1.311,519 1.124,520 1.335,521 0.973,522 1.266,523 1.345,524 0.715,525 1.115,526 0.795,527 1.435,528 0.902,529 1.079,530 0.739,531 0.893,532 0.791,533 1.21,534 0.819,535 4,536 0.05,537 2.222,538 1.229,539 0.791,540 0.636,541 0.324,542 0.137,543 0.132,544 0.084,545 3127,546 9475,547 1.965,548 45.7,549 3,550 8,552 2,553 1,554 2,558 1.601,559 1.81,560 3.091,561 -0.301,563 1,565 1,567 52.922,568 1.512,569 3.596,570 4.515,571 4.8,572 4.8,573 4.8,574 2.55,575 3.722,576 4.218,577 3.238,578 553.723,579 7.175,580 5524.38,581 1,582 1,584 1,585 179.525,586 1.509,587 4.159,588 0.2,589 0.008,590 0.082,591 0.049,592 0.04,593 0.028,594 0.017,595 0.012,596 0.015,597 0.009,598 0.46,599 0.67,600 1,601 1.368,602 83.106,603 -0.061,604 -0.176,605 0.02,606 -0.035,607 -0.093,608 -0.006,609 0.155,610 0.07,611 0.106,612 0.11,613 0.241,614 0.108,615 -0.102,616 -0.141,617 -0.233,618 -0.225,619 -0.012,620 -0.242,621 -0.178,622 -0.151,623 -0.244,624 -0.135,625 -0.203,626 -0.195,627 0.239,628 0.245,629 0.261,630 0.196,631 0.144,632 0.226,633 -0.055,634 -0.339,635 -0.178,636 -0.354,637 -0.022,638 -0.296,639 -0.196,640 0.154,641 -0.069,642 0.142,643 -0.215,644 0.071,645 -0.064,646 0.105,647 0.137,648 0.176,649 -0.096,650 0.185,651 2.56,652 3.827,653 0.579,654 14.792,655 1.001,656 1.123,657 1.466,658 2.15,659 0.664,660 3.045,661 3.332,662 3.526,663 3.664,664 3.784,665 3.738,666 3.784,667 3.807,668 3.714,669 3.555,670 5.197,671 0.633,672 256.33,673 3.045,674 4.554,675 5.371,676 6.217,677 7.057,678 7.909,679 8.758,680 9.614,681 10.469,682 11.328,683 5.7,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 35,726 13,728 20,730 36,731 15,733 9,736 3,739 2,740 2,745 1,751 1,753 12,754 3,756 2,761 1,763 1,765 2,769 1,772 16,773 3,774 1,775 4,779 2,784 1,785 2,795 1,797 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 2,840 19,845 1,846 1,862 5.7,864 1,865 1,869 10.5,870 6.85,871 4.25,872 1.921,874 2.429,875 1.398,876 0.93,877 4.052,878 8.532,879 3.35,880 3.927,881 4.432,882 4.909,883 5.287,884 5.428,885 5.77,886 6.086,887 6.273,888 6.466,889 0.833,890 25,891 6.971,893 2.834,894 7.912,895 13.124,897 10.22,899 2.412,900 45.833,901 0.001,904 176.567,905 98.027,906 18.685,908 67.828,911 98.027,912 244.395,913 18.685,914 17.222,915 2.535,916 47.381,917 109.066,918 26.365,919 5.513,920 153.024,922 176.567,923 116.711,924 67.828,927 176.567,928 67.828,931 31.354,932 59.096,933 26.262,935 176.567,936 86.513,937 98.027,940 176.567,941 15.329,942 84.597,944 84.614,945 176.567,946 86.513,947 98.027,949 0.58,950 0.329,951 0.152,952 0.082,953 12,954 6,955 0.111,956 4,958 1,959 3.132,960 129.574,962 11,963 80.711,968 13.407,969 5.743,970 3.251,972 84.614,973 11.46,974 4.09,978 3.144,979 1.999,980 42.683,981 361.106,982 27.5,987 10.827,989 1.676,991 -0.566,994 35.043,995 39.322,996 0.295,997 0.701,998 0.88,999 0.936,1000 0.936,1001 0.936,1002 4.551,1003 1,1004 5.352,1005 2.356,1006 4.007,1007 4.61,1008 1.801,1009 6.111,1010 3.955,1011 5.766,1012 0.204,1013 6.893,1014 2.136,1015 3.611,1016 4.369,1018 6.934,1019 3.524,1020 7.065,1021 -0.346,1022 8.534,1023 0.498,1024 5.557,1025 6.765,1026 2.297,1027 9.988,1028 5.449,1029 8.401,1030 -0.766,1031 10.233,1032 -0.85,1033 5.969,1034 7.339,1036 11.626,1037 5.815,1038 9.767,1039 -1,1040 11.968,1041 -1.836,1042 7.402,1043 9.198,1044 2.933,1045 14.193,1046 7.227,1047 11.153,1048 -1,1049 13.727,1050 -2,1051 8.173,1052 10.159,1054 16.176,1055 7.945,1056 12.557,1057 -1.096,1058 15.503,1059 -2.347,1060 9.401,1061 11.779,1062 3.621,1063 18.571,1064 9.146,1065 3.048,1066 -1.414,1067 17.293,1068 -2.708,1069 10.339,1070 12.94,1072 20.713,1073 10.03,1074 2.638,1075 9.885,1076 19.093,1077 -3.957,1078 11.484,1079 14.445,1080 4.33,1081 23.043,1082 11.14,1083 2.461,1084 7.637,1085 20.901,1086 4.105,1087 12.503,1088 15.714,1090 25.261,1091 12.106,1092 1.837,1093 7.007,1094 22.716,1095 3.457,1096 13.615,1097 17.164,1098 5.048,1099 27.565,1100 13.177,1101 1.414,1102 5.433,1103 24.537,1104 3.321,1105 14.675,1106 18.494,1108 29.82,1109 14.184,1110 1.165,1111 3.097,1112 26.363,1113 2.389,1114 15.777,1115 19.918,1116 5.769,1117 32.114,1118 15.241,1119 1.025,1120 2.828,1121 28.194,1122 2.001,1123 16.858,1124 21.282,1126 34.387,1127 16.27,1128 3220,1129 5675,1130 12.83,1131 23.25,1132 30.078,1133 30.428,1134 30.755,1135 29.612,1136 29.583,1137 40.109,1138 4.233,1139 81.752,1140 28.781,1141 5.187,1142 5.594,1143 6.246,1144 5.039,1145 5.048,1146 7.105,1147 2.873,1148 16.708,1149 4.876,1150 10.438,1151 1.504,1152 1.521,1153 1.538,1154 1.481,1155 1.479,1156 2.005,1157 0.212,1158 4.088,1159 1.439,1160 4.042,1161 4.084,1162 3.991,1163 3.93,1164 7.475,1165 3.939,1166 3.828,1167 3.871,1168 3.766,1169 3.724,1170 6.351,1171 3.729,1172 3.616,1173 3.642,1174 3.549,1175 3.466,1176 4.911,1177 3.477,1178 3.112,1179 3.204,1180 2.97,1181 2.96,1182 4.761,1183 2.949,1184 3.059,1185 3.13,1186 2.844,1187 2.853,1188 4.168,1189 2.829,1190 2.994,1191 3.038,1192 2.803,1193 2.633,1194 3.848,1195 2.682,1196 2.762,1197 2.848,1198 2.62,1199 2.571,1200 3.783,1201 2.567,1202 2.674,1203 2.753,1204 2.458,1205 2.482,1206 3.719,1207 2.477,1208 0.221,1209 0.18,1210 0.322,1211 0.2,1212 0.152,1213 4.423,1214 0.205,1215 3.594,1216 0.072,1217 6.444,1218 0.494,1219 4.003,1220 0.146,1221 3.048,1222 4.105,1223 1.437,1224 9.885,1225 2.914,1226 1.875,1227 1.837,1228 1.997,1229 2.002,1230 1.159,1231 2.003,1232 1.748,1233 1.718,1234 1.887,1235 1.897,1236 0.993,1237 1.893,1238 1.546,1239 1.495,1240 1.732,1241 1.731,1242 0.807,1243 1.733,1244 1.379,1245 1.33,1246 1.616,1247 1.558,1248 0.692,1249 1.575,1250 1.046,1251 0.966,1252 1.384,1253 1.27,1254 0.494,1255 1.306,1256 0.864,1257 0.814,1258 1.19,1259 1.257,1260 0.246,1261 1.228,1262 0.781,1263 0.707,1264 1.044,1265 1.014,1266 0.056,1267 1.047,1268 0.698,1269 0.614,1270 0.973,1271 0.968,1273 0.986,1274 3.714,1276 5.004,1277 2.398,1278 6.472,1279 4.727,1280 8.013,1281 6.783,1282 9.592,1284 3.531,1289 8.89,1290 0.782,1300 22.16,1301 52.922,1302 125.873,1303 158.015,1304 168.015,1305 168.015,1306 168.015,1307 29.935,1308 6.103,1309 55.12,1310 55.12,1311 11,1312 11.88,1313 3.807,1314 3.087,1315 33.726,1316 59,1317 51,1318 0.29,1319 140.958,1320 242.64,1321 335.698,1322 2899,1324 13.828,1325 0.728,1326 0.579,1327 13.828,1328 10.998,1329 9.075,1330 0.454,1331 0.301,1332 5.951,1333 8.755,1334 5.708,1335 4.813,1336 9.075,1337 6.028,1338 8.153,1339 0.302,1340 0.166,1341 8.153,1342 4.479,1343 6.569,1344 0.199,1345 0.093,1346 6.569,1347 3.074,1348 4.605,1349 0.121,1350 0.05,1351 4.605,1352 1.889,1353 3.536,1354 0.082,1355 0.028,1356 3.536,1357 1.208,1358 0.449,1359 56.729,1360 0.279,1361 19.161,1362 0.805,1363 94,1364 287.175,1365 102.23,1366 280.781,1367 373.8,1368 260,1369 107,1370 265.948,1371 114.652,1372 273.652,1373 389.18,1374 254,1375 7.301} {0 CHEMBL352874,1 1.644,2 7.824,3 1.17,4 1.368,5 65.132,6 7.709,7 0.556,8 3.511,9 3.63,10 3.096,11 2.978,12 4.729,13 2.988,14 3.98,15 4.162,16 3.395,17 3.324,18 5.274,19 3.314,20 4.09,21 4.28,22 3.173,23 3.388,24 5.151,25 3.291,26 4.194,27 4.446,28 3.131,29 3.347,30 5.125,31 3.232,32 4.081,33 4.334,34 3.199,35 3.25,36 5.151,37 3.186,38 4.033,39 4.243,40 3.06,41 3.175,42 5.213,43 3.09,44 3.879,45 4.169,46 2.624,47 2.85,48 4.879,49 2.719,50 3.546,51 3.761,52 2.323,53 2.405,54 4.892,55 2.346,56 0.057,57 0.454,58 5.805,59 2.36,60 7.864,61 3.112,62 0.277,63 0.683,64 10.736,65 3.424,66 31.322,67 4.815,68 0.193,69 0.705,70 12.105,71 4.792,72 22.018,73 6.438,74 0.209,75 0.728,76 15.036,77 5.11,78 27.885,79 7.548,80 0.214,81 0.656,82 13.52,83 4.304,84 18.288,85 6.34,86 0.287,87 0.597,88 12.457,89 4.178,90 29.401,91 5.79,92 0.178,93 0.464,94 11.879,95 3.547,96 23.008,97 5.409,98 0.366,99 0.28,100 8.905,101 2.167,102 47.673,103 2.715,104 13,105 24,106 0.313,107 0.698,108 0.867,109 0.892,110 0.892,111 0.892,112 2.907,113 0.862,114 -2.01,115 -2.06,116 -2.05,118 40,123 1,124 1,133 2,140 1,141 1,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 3,175 1,177 1,180 2,181 1,185 1,186 3,191 1,194 1,195 1,198 3,203 1,207 1,209 1,210 3,211 1,215 1,221 1,222 2,225 1,234 1,235 1,246 1,247 1,250 1,260 1,270 323,271 11.223,272 11.223,273 11.223,274 11.223,275 11.223,276 9.643,277 11.99,278 6.811,279 11.507,280 8.911,281 8.911,282 8.911,283 8.911,284 8.911,285 6.524,286 16.03,287 3.3,288 9.355,289 3.263,290 1.242,291 0.358,292 0.225,293 0.225,294 0.225,295 3.555,299 1,300 1,301 274,302 2.828,305 99.085,313 1.481,314 13.887,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37.5,326 133,327 4.337,328 3.474,329 6.172,330 3.917,331 2.963,332 4.012,333 1.437,334 9.202,335 2.831,336 3.901,337 3.124,338 5.364,339 3.43,340 2.501,341 3.463,342 0.522,343 7.052,344 2.334,345 3.678,346 2.584,347 5.077,348 3.236,349 2.249,350 2.96,352 5.999,353 2.188,354 3.274,355 2.087,356 4.59,357 2.896,358 1.915,359 2.468,361 4.959,362 1.864,363 2.739,364 1.592,365 4.15,366 2.331,367 1.394,368 1.815,370 3.625,371 1.303,372 2.479,373 1.125,374 3.403,375 1.979,376 1.046,377 1.467,379 2.44,380 0.974,381 2.281,382 0.879,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 2.118,391 0.618,392 2.945,393 1.524,394 0.524,395 0.847,397 1.171,398 0.519,399 1.065,400 0.381,401 2.666,402 0.752,403 -0.204,404 -0.254,406 -0.569,407 -0.194,408 0.587,409 -0.003,410 2,411 0.269,412 -0.697,413 -0.791,415 -1.735,416 -0.652,417 0.445,418 -0.498,419 1.81,420 0.039,421 -0.955,422 -1.088,424 -2,425 -0.881,426 0.245,427 -0.788,428 1.506,429 -0.059,430 -1,431 -1.441,433 -2.595,434 -1.005,435 -0.114,436 -1.201,437 1.225,438 -0.479,439 -1.429,440 -1.768,442 -3.396,443 -1.36,444 -0.118,445 -1.538,446 1.027,447 -0.665,448 -1.609,449 -2.272,451 -4.33,452 -1.476,453 -0.209,454 -1.618,455 1,456 -0.706,457 -1.618,458 -2.427,460 -4.372,461 -1.525,462 7.867,463 0.463,464 0.438,465 0.026,466 22.5,467 1.324,468 11,469 0.647,470 11.5,471 0.676,472 9.757,473 0.574,474 18.533,475 0.618,476 14.648,477 0.862,478 4.861,479 0.286,480 3.287,481 0.193,482 0.148,484 0.292,487 0.861,488 1.615,489 0.767,490 1.189,491 0.73,492 0.995,493 0.777,494 0.923,495 0.873,496 0.773,497 0.366,498 0.796,499 0.815,500 1.125,501 1.222,502 1.289,503 0.792,504 1.336,505 0.649,506 1.134,507 0.946,508 1.109,509 0.563,510 1.092,511 0.695,512 0.843,513 0.753,514 0.834,515 0.474,516 0.793,517 0.971,518 1.113,519 1.134,520 1.187,521 1.19,522 1.207,523 0.753,524 0.911,525 0.894,526 1.013,527 0.681,528 0.974,529 2.326,530 0.567,531 1.496,532 0.635,533 3.054,534 0.906,535 4,536 0.04,537 1.333,538 1.139,539 0.64,540 0.407,541 0.371,542 0.041,543 0.081,544 0.055,545 2372,546 8026,547 1.994,548 43.3,550 8,551 2,552 2,553 1,558 1.566,559 1.855,560 2.991,561 -0.198,563 1,565 1,567 49.327,568 1.644,569 3.665,570 4.548,571 4.682,572 4.682,573 4.682,574 2.469,575 3.617,576 4.054,577 3.143,578 427.389,579 6.843,580 3955.37,582 1,585 147.207,586 1.447,587 4.01,588 0.222,589 0.01,590 0.056,591 0.063,592 0.038,593 0.021,594 0.025,595 0.005,596 0.013,597 0.009,598 0.462,599 0.5,600 1,601 1.403,602 71.342,603 -0.097,604 -0.417,605 0.032,606 -0.145,607 -0.098,608 -0.056,609 0.055,610 0.248,611 0.007,612 0.177,613 0.258,614 0.115,615 -0.113,616 -0.079,617 -0.359,618 -0.258,619 -0.115,620 -0.348,621 -0.008,622 -0.198,623 -0.002,624 -0.116,625 -0.003,626 -0.069,627 0.034,628 0.125,629 0.213,630 0.13,631 0.129,632 0.205,633 0.026,634 -0.161,635 -0.179,636 -0.208,637 -0.144,638 -0.24,639 0.026,640 -0.065,641 0.134,642 -0.07,643 0.063,644 0.047,645 -0.307,646 0.206,647 -0.339,648 0.244,649 -0.621,650 -0.034,651 2.606,652 3.415,653 0.588,654 12.706,655 1.013,656 1.133,657 0.779,658 0.607,659 0.658,660 2.944,661 3.219,662 3.367,663 3.584,664 3.584,665 3.584,666 3.689,667 3.638,668 3.367,669 3.219,670 4.906,671 0.638,672 231.28,673 2.944,674 4.443,675 5.242,676 6.089,677 6.915,678 7.767,679 8.606,680 9.46,681 10.306,682 11.162,683 10,691 2,693 1,699 5,700 1,704 2,705 2,706 10,724 30,726 12,728 18,730 31,731 12,733 7,736 3,739 2,740 2,753 10,754 2,756 2,761 1,763 2,765 1,769 1,772 13,773 3,774 1,775 5,778 1,779 3,784 1,785 2,797 1,801 2,818 1,822 2,830 1,832 2,836 1,840 17,845 1,846 1,862 6.7,864 1,865 1,869 9.167,870 5.55,871 3.778,872 1.539,874 2.154,875 1.368,876 0.929,877 3.445,878 8.015,879 3.258,880 3.818,881 4.307,882 4.817,883 4.977,884 5.256,885 5.649,886 5.924,887 5.908,888 6.099,889 1,890 18,891 6.205,893 2.515,894 8,895 11.575,897 8.922,899 2.5,900 42.5,901 0.001,904 141.253,905 81.544,906 20.584,908 67.828,911 81.544,912 209.081,913 20.584,914 8.396,915 2.106,916 46.524,917 117.684,918 16.031,919 26.299,920 94.169,922 141.253,923 102.128,924 67.828,927 141.253,928 67.828,931 23.57,932 42.82,933 35.738,935 141.253,936 88.412,937 81.544,940 141.253,941 8.958,942 76.384,944 84.614,945 141.253,946 88.412,947 81.544,949 0.572,950 0.301,951 0.157,952 0.079,953 11,954 5,955 0.129,956 4,958 1,959 3.013,960 109.129,962 10,963 67.487,968 11.674,969 5.017,970 3.076,972 84.614,973 9.221,974 3.976,978 1.97,979 3.932,980 42.683,981 311.209,982 25,987 10.415,989 2.718,991 -0.94,994 30.378,995 33.99,996 0.335,997 0.747,998 0.927,999 0.954,1000 0.954,1001 0.954,1002 4.449,1003 0.524,1004 5.209,1005 1.372,1006 3.892,1007 4.5,1008 1.736,1009 5.932,1010 3.8,1011 5.652,1012 -0.204,1013 6.713,1014 1.171,1015 3.434,1016 4.205,1018 6.629,1019 3.292,1020 6.935,1021 -0.697,1022 8.31,1023 -0.569,1024 5.398,1025 6.63,1026 2.269,1027 9.668,1028 5.214,1029 8.254,1030 -0.955,1031 9.96,1032 -1.735,1033 5.74,1034 7.191,1036 11.199,1037 5.496,1038 9.601,1039 -1,1040 11.645,1041 -2,1042 7.172,1043 9.018,1044 2.925,1045 13.727,1046 6.893,1047 10.968,1048 -1.429,1049 13.354,1050 -2.595,1051 7.886,1052 9.987,1054 15.629,1055 7.546,1056 12.351,1057 -1.609,1058 15.083,1059 -3.396,1060 9.104,1061 11.556,1062 3.619,1063 17.967,1064 8.727,1065 2.963,1066 -1.618,1067 16.825,1068 -4.33,1069 10.001,1070 12.731,1072 20.041,1073 9.567,1074 2.501,1075 9.202,1076 18.58,1077 -4.372,1078 11.129,1079 14.187,1080 4.33,1081 22.305,1082 10.657,1083 2.249,1084 7.052,1085 20.345,1086 4.012,1087 12.117,1088 15.465,1090 24.456,1091 11.592,1092 1.915,1093 5.999,1094 22.118,1095 3.463,1096 13.211,1097 16.874,1098 5.047,1099 26.692,1100 12.645,1101 1.394,1102 4.959,1103 23.897,1104 2.96,1105 14.244,1106 18.203,1108 28.879,1109 13.629,1110 1.046,1111 3.625,1112 25.683,1113 2.468,1114 15.326,1115 19.592,1116 5.769,1117 31.104,1118 14.669,1119 0.618,1120 2.44,1121 27.474,1122 1.815,1123 16.382,1124 20.948,1126 33.308,1127 15.678,1128 2444,1129 4566,1130 11.731,1131 19.733,1132 27.394,1133 26.988,1134 26.734,1135 26.448,1136 26.421,1137 35.918,1138 3.916,1139 71.641,1140 25.179,1141 5.122,1142 5.398,1143 5.786,1144 4.977,1145 4.963,1146 6.716,1147 2.873,1148 15.42,1149 4.764,1150 8.535,1151 1.522,1152 1.499,1153 1.485,1154 1.469,1155 1.468,1156 1.995,1157 0.218,1158 3.98,1159 1.399,1160 4.046,1161 4.099,1162 3.993,1163 3.907,1164 7.476,1165 3.922,1166 3.838,1167 3.899,1168 3.782,1169 3.644,1170 6.351,1171 3.672,1172 3.549,1173 3.567,1174 3.489,1175 3.355,1176 4.967,1177 3.379,1178 3.089,1179 3.176,1180 2.922,1181 2.854,1182 4.763,1183 2.842,1184 3.002,1185 3.061,1186 2.827,1187 2.793,1188 4.117,1189 2.802,1190 2.683,1191 2.746,1192 2.484,1193 2.379,1194 3.74,1195 2.407,1196 2.474,1197 2.573,1198 2.263,1199 2.279,1200 3.565,1201 2.265,1202 2.339,1203 2.451,1204 2.113,1205 2.118,1206 3.332,1207 2.098,1208 0.241,1209 0.193,1210 0.343,1211 0.218,1212 0.165,1213 4.337,1214 0.223,1215 3.474,1216 0.08,1217 6.172,1218 0.511,1219 3.917,1220 0.157,1221 2.963,1222 4.012,1223 1.437,1224 9.202,1225 2.831,1226 1.723,1227 1.688,1228 1.867,1229 1.931,1230 1.076,1231 1.916,1232 1.682,1233 1.629,1234 1.821,1235 1.825,1236 0.896,1237 1.823,1238 1.407,1239 1.337,1240 1.629,1241 1.664,1242 0.701,1243 1.652,1244 1.293,1245 1.238,1246 1.479,1247 1.525,1248 0.463,1249 1.514,1250 1.202,1251 1.164,1252 1.353,1253 1.432,1254 0.333,1255 1.401,1256 0.856,1257 0.765,1258 1.193,1259 1.128,1260 0.233,1261 1.161,1262 0.545,1263 0.5,1264 0.918,1265 0.923,1266 0.024,1267 0.92,1268 0.464,1269 0.346,1270 0.843,1271 0.77,1273 0.828,1274 3.611,1276 4.89,1277 3.045,1278 6.315,1279 5.283,1280 7.812,1281 7.248,1282 9.354,1284 1.935,1289 8.552,1290 0.72,1300 19.128,1301 49.327,1302 109.946,1303 136.452,1304 140.452,1305 140.452,1306 140.452,1307 21.722,1308 5.861,1309 60.05,1310 60.05,1311 10,1312 11.718,1313 3.7,1314 3,1315 28.528,1316 49,1317 45,1318 0.293,1319 121.903,1320 204.38,1321 289.203,1322 2084,1324 12.251,1325 0.721,1326 0.556,1327 12.251,1328 9.446,1329 8.148,1330 0.453,1331 0.287,1332 5.064,1333 7.721,1334 4.916,1335 4.127,1336 8.148,1337 5.169,1338 7.432,1339 0.31,1340 0.158,1341 7.432,1342 3.782,1343 5.409,1344 0.193,1345 0.088,1346 5.409,1347 2.451,1348 4.282,1349 0.122,1350 0.046,1351 4.282,1352 1.621,1353 2.903,1354 0.083,1355 0.027,1356 2.903,1357 0.934,1358 0.454,1359 51.814,1360 0.292,1361 17.406,1362 0.811,1363 84,1364 282.821,1365 94.034,1366 272.706,1367 359.5,1368 252,1369 94,1370 254.413,1371 103.541,1372 259.942,1373 367.25,1374 240,1375 5.337} {0 CHEMBL353356,1 1.539,2 12,3 3.864,4 14.93,5 113.844,6 7.28,7 0.364,8 4.16,9 4.261,10 3.688,11 3.655,12 5.283,13 3.642,14 4.722,15 4.871,16 4.054,17 4.02,18 5.88,19 3.994,20 5.028,21 5.207,22 4.146,23 4.167,24 6.142,25 4.118,26 5.138,27 5.364,28 4.065,29 4.188,30 6.113,31 4.12,32 5.046,33 5.236,34 4.132,35 4.265,36 6.062,37 4.187,38 5.255,39 5.502,40 4.128,41 4.312,42 6.273,43 4.205,44 5.145,45 5.378,46 4.002,47 4.245,48 6.077,49 4.128,50 5.102,51 5.369,52 3.901,53 4.156,54 6.031,55 4.035,56 0.078,57 0.831,58 12.456,59 6.06,60 16.341,61 7.355,62 0.465,63 1.314,64 24.341,65 9.727,66 62.069,67 12.196,68 0.906,69 1.649,70 35.473,71 12.533,72 92.502,73 15.846,74 1,75 1.725,76 41.988,77 13.46,78 105.73,79 17.433,80 0.442,81 1.808,82 34.62,83 13.695,84 64.499,85 17.72,86 1.141,87 2.084,88 47.017,89 15.715,90 133.776,91 21.229,92 0.708,93 1.789,94 40.597,95 14.415,96 85.541,97 19.615,98 0.726,99 1.765,100 40.329,101 13.435,102 93.804,103 18.678,104 32,105 45,106 0.252,107 0.6,108 0.801,109 0.881,110 0.892,111 0.892,112 3.472,113 0.94,114 -4.16,115 -4.11,116 -3.88,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 9,175 1,177 1,180 9,181 1,185 2,186 11,191 1,194 6,195 1,197 1,198 7,203 1,206 7,207 1,210 9,215 1,218 12,219 1,221 1,222 11,227 1,229 9,230 1,233 1,234 10,239 1,242 9,247 2,248 2,255 10,256 1,258 2,259 4,262 2,264 1,267 11,268 1,270 1872,271 20.559,272 20.559,273 20.559,274 20.559,275 20.559,276 18.562,277 21.132,278 12.464,279 20.885,280 16.315,281 16.315,282 16.315,283 16.315,284 16.315,285 13.53,286 25.211,287 5.961,288 16.91,289 4.343,290 2.22,291 0.992,292 0.5,293 0.432,294 0.432,295 4.152,299 1,300 1,301 773,302 4.243,306 335.228,313 2.065,314 42.906,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 69,326 372,327 4.445,328 3.81,329 7.318,330 4.365,331 3.413,332 3.806,333 2.341,334 12.563,335 3.244,336 4.165,337 3.597,338 6.501,339 3.957,340 2.989,341 3.588,342 1.465,343 10.195,344 2.89,345 4.05,346 3.356,347 6.012,348 3.667,349 2.72,350 3.312,351 0.86,352 8.473,353 2.559,354 3.566,355 3.11,356 5.25,357 3.256,358 2.265,359 2.732,360 0.811,361 6.409,362 2.237,363 3.511,364 2.517,365 4.865,366 3.217,367 2.222,368 2.674,370 5.186,371 2.192,372 3.119,373 2.301,374 4.659,375 2.727,376 1.759,377 2.204,379 5.101,380 1.695,381 2.906,382 1.984,383 4.17,384 2.555,385 1.595,386 2.069,388 3.74,389 1.528,390 2.856,391 1.869,392 4.092,393 2.444,394 1.475,395 1.977,397 3.582,398 1.422,399 2.825,400 1.835,401 3.637,402 2.388,403 1.414,404 1.91,406 3.136,407 1.372,408 2.584,409 1.503,410 3.6,411 2.343,412 1.381,413 1.579,415 2.965,416 1.312,417 2.5,418 1.399,419 3.48,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.169,427 1.216,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.919,436 1,437 3.235,438 1.772,439 0.779,440 0.832,442 1.67,443 0.768,444 1.378,445 0.741,446 3.007,447 1.065,448 0.157,449 0.183,451 0.374,452 0.138,453 1.262,454 0.573,455 2.685,456 0.998,457 0.048,458 0.055,460 0.111,461 0.045,462 14.352,463 0.463,464 0.807,465 0.026,466 34.25,467 1.105,468 15,469 0.484,470 19.25,471 0.621,472 31.685,473 1.022,474 35.448,475 0.601,476 27.805,477 0.897,478 6.866,479 0.221,480 7.999,481 0.258,482 0.136,483 0.035,484 0.244,486 1,487 0.752,488 1.17,489 0.794,490 1.217,491 0.679,492 1.056,493 0.868,494 1.092,495 0.887,496 1.141,497 0.561,498 1.042,499 1.106,500 1.076,501 1.075,502 1.128,503 0.875,504 1.104,505 1.33,506 0.756,507 1.046,508 0.761,509 0.869,510 0.823,511 0.89,512 1.212,513 1.047,514 1.265,515 0.676,516 1.213,517 0.938,518 0.933,519 1.002,520 0.934,521 0.878,522 0.967,523 0.858,524 0.942,525 1.023,526 1.055,527 0.643,528 1.083,529 0.881,530 0.852,531 0.925,532 0.845,533 0.842,534 0.879,535 6.5,536 0.182,537 3.778,538 2,539 1.747,540 1.271,541 0.628,542 0.483,543 0.435,544 0.24,545 12283,546 37791,547 2.004,548 47.5,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.741,559 1.869,560 3.522,561 -0.361,563 1,567 90.821,568 1.539,569 3.663,570 4.891,571 5.382,572 5.45,573 5.45,574 3.112,575 4.503,576 4.916,577 3.742,578 1740.19,579 8.618,580 25165.8,582 1,584 1,585 347.076,586 1.525,587 4.873,588 0.197,589 0.006,590 0.084,591 0.043,592 0.04,593 0.027,594 0.014,595 0.012,596 0.012,597 0.007,598 0.442,599 0.33,600 1,601 1.543,602 161.578,603 -0.039,604 -0.084,605 0.038,606 -0.059,607 -0.065,608 -0.004,609 0.065,610 -0.096,611 0.032,612 -0.083,613 0.108,614 -0.042,615 0.025,616 -0.106,617 -0.091,618 -0.125,619 -0.017,620 -0.137,621 -0.182,622 0.131,623 -0.024,624 0.185,625 -0.084,626 0.131,627 -0.071,628 -0.213,629 -0.129,630 -0.221,631 -0.014,632 -0.198,633 0.033,634 0.119,635 -0.005,636 0.036,637 -0.003,638 0.017,639 -0.057,640 -0.099,641 -0.075,642 -0.075,643 -0.05,644 -0.084,645 -0.067,646 0.086,647 0.052,648 0.108,649 -0.067,650 0.114,651 2.484,652 6.084,653 0.581,654 36.747,655 1.011,656 1.13,657 2.933,658 8.604,659 0.642,660 3.526,661 3.829,662 4.025,663 4.234,664 4.477,665 4.511,666 4.615,667 4.7,668 4.779,669 4.796,670 7.223,671 0.616,672 429.53,673 3.526,674 5.056,675 5.878,676 6.744,677 7.593,678 8.469,679 9.332,680 10.215,681 11.087,682 11.973,683 1.7,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 59,726 14,727 1,728 33,730 61,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,770 1,772 28,773 7,774 1,775 7,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 31,845 1,846 4,848 3,850 3,852 1,861 1,862 8.5,864 1,865 1,866 2,867 1,869 16.583,870 10.793,871 6.875,872 3.476,874 1.854,875 1.255,876 0.905,877 8.052,878 9.124,879 3.738,880 4.22,881 4.6,882 5.024,883 5.478,884 5.405,885 5.62,886 5.878,887 6.06,888 6.242,889 1,890 46,891 11.559,893 4.926,894 7.965,895 21.663,897 17.536,899 2.465,900 76.417,903 1,904 317.82,905 142.571,906 16.786,908 100.828,909 14.96,911 142.571,912 418.648,913 31.746,914 17.65,915 12.196,916 76.17,917 131.066,918 46.645,919 26.731,920 282.506,922 317.82,923 159.356,924 115.788,927 250.382,928 161.226,929 22,930 0.36,931 47.941,932 75.317,933 35.738,935 332.78,936 117.613,937 142.571,940 318.179,941 30.656,942 111.555,944 132.574,945 317.82,946 132.574,947 142.571,949 0.575,950 0.316,951 0.162,952 0.092,953 19,954 9,955 0.148,956 9,958 1,959 4.166,960 267.849,962 18,963 151.58,968 23.239,969 10.741,970 6.523,972 132.574,973 13.502,974 4.205,978 0.613,980 42.683,981 592.964,982 41,987 10.667,989 3.83,991 -0.817,994 59.621,995 66.698,996 0.262,997 0.623,998 0.831,999 0.915,1000 0.927,1001 0.927,1002 4.977,1003 1.475,1004 5.878,1005 3.74,1006 4.511,1007 4.905,1008 2.812,1009 6.696,1010 4.433,1011 6.152,1012 1.414,1013 7.448,1014 3.582,1015 4.205,1016 4.559,1017 2.243,1018 7.874,1019 4.077,1020 7.439,1021 1.381,1022 9.142,1023 3.136,1024 6.146,1025 6.896,1026 3.888,1027 10.913,1028 5.985,1029 8.757,1030 1,1031 10.914,1032 2.965,1033 6.686,1034 7.303,1035 4.112,1036 12.954,1037 6.462,1038 10.109,1039 1,1040 12.74,1041 2.476,1042 8.139,1043 9.173,1044 5.312,1045 15.6,1046 7.882,1047 11.484,1048 0.779,1049 14.602,1050 2.136,1051 9.054,1052 9.944,1053 5.889,1054 17.941,1055 8.732,1056 12.878,1057 0.157,1058 16.491,1059 1.67,1060 10.333,1061 11.596,1062 6.893,1063 20.483,1064 9.971,1065 3.413,1066 0.048,1067 18.399,1068 0.374,1069 11.412,1070 12.57,1071 7.625,1072 22.932,1073 10.989,1074 2.989,1075 12.563,1076 20.322,1077 0.111,1078 12.631,1079 14.099,1080 8.544,1081 25.451,1082 12.165,1083 2.72,1084 10.195,1085 22.256,1086 3.806,1087 13.782,1088 15.194,1089 9.342,1090 27.942,1091 13.258,1092 2.265,1093 8.473,1094 24.198,1095 3.588,1096 14.986,1097 16.648,1098 10.223,1099 30.459,1100 14.415,1101 2.222,1102 6.409,1103 26.148,1104 3.312,1105 16.169,1106 17.82,1107 11.051,1108 32.969,1109 15.543,1110 1.759,1111 5.186,1112 28.104,1113 2.732,1114 17.373,1115 19.226,1116 11.915,1117 35.488,1118 16.697,1119 1.595,1120 5.101,1121 30.064,1122 2.674,1123 18.572,1124 20.449,1125 12.755,1126 38.007,1127 17.843,1128 12177,1129 21458,1130 21.553,1131 37.875,1132 49.24,1133 50.121,1134 49.781,1135 48.433,1136 48.433,1137 59.112,1138 10.954,1139 136.236,1140 46.524,1141 5.445,1142 5.81,1143 7.12,1144 5.439,1145 5.413,1146 6.806,1147 3.925,1148 20.036,1149 5.244,1150 16.638,1151 1.492,1152 1.519,1153 1.509,1154 1.468,1155 1.468,1156 1.791,1157 0.332,1158 4.128,1159 1.41,1160 3.987,1161 4.012,1162 3.921,1163 3.865,1164 8.201,1165 3.872,1166 3.892,1167 3.917,1168 3.838,1169 3.801,1170 7.474,1171 3.805,1172 3.759,1173 3.803,1174 3.662,1175 3.645,1176 6.351,1177 3.64,1178 3.695,1179 3.73,1180 3.594,1181 3.534,1182 4.943,1183 3.541,1184 3.554,1185 3.601,1186 3.432,1187 3.399,1188 4.824,1189 3.396,1190 3.324,1191 3.353,1192 3.213,1193 3.111,1194 4.681,1195 3.129,1196 2.967,1197 3.016,1198 2.844,1199 2.795,1200 4.388,1201 2.791,1202 2.954,1203 3.009,1204 2.827,1205 2.733,1206 4.315,1207 2.739,1208 0.135,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.445,1214 0.115,1215 3.81,1216 0.071,1217 7.318,1218 0.381,1219 4.365,1220 0.098,1221 3.413,1222 3.806,1223 2.341,1224 12.563,1225 3.244,1226 1.909,1227 1.882,1228 2.047,1229 2.058,1230 1.362,1231 2.052,1232 1.866,1233 1.843,1234 1.979,1235 1.98,1236 1.148,1237 1.979,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.108,1243 1.906,1244 1.659,1245 1.62,1246 1.87,1247 1.843,1248 1.004,1249 1.85,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.505,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.812,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.205,1276 5.509,1278 7.008,1280 8.597,1282 10.237,1284 3.604,1286 14.084,1289 8.764,1290 1.662,1292 18.233,1294 -0.99,1296 -0.94,1300 36.354,1301 90.821,1302 216.105,1303 288.547,1304 317.566,1305 321.566,1306 321.566,1307 84.513,1308 7.27,1309 77.88,1310 77.88,1311 18,1312 12.508,1313 3.907,1314 3.17,1315 57.976,1316 128,1317 158,1318 0.213,1319 223.361,1320 404.78,1321 536.761,1322 13176,1323 1.7,1324 22.269,1325 0.718,1326 0.572,1327 21.399,1328 17.739,1329 14.865,1330 0.45,1331 0.313,1332 10.172,1333 14.182,1334 9.908,1335 8.205,1336 14.454,1337 10.339,1338 13.578,1339 0.302,1340 0.179,1341 13.061,1342 8.044,1343 10.342,1344 0.188,1345 0.092,1346 9.805,1347 5.081,1348 8.151,1349 0.12,1350 0.051,1351 7.914,1352 3.488,1353 6.739,1354 0.077,1355 0.028,1356 6.388,1357 2.41,1358 0.335,1359 94.197,1360 0.215,1361 29.256,1362 0.588,1363 156,1364 554.848,1365 178.49,1366 491.262,1367 643.19,1368 458,1369 178,1370 446.385,1371 200.348,1372 439.1,1373 641.33,1374 411,1375 7.347} {0 CHEMBL353950,1 1.483,2 8.5,3 2.982,4 8.895,5 79.104,6 7.115,7 0.524,8 3.707,9 3.826,10 3.22,11 3.246,12 4.856,13 3.214,14 4.198,15 4.382,16 3.531,17 3.587,18 5.373,19 3.532,20 4.383,21 4.59,22 3.521,23 3.701,24 5.421,25 3.616,26 4.509,27 4.727,28 3.444,29 3.738,30 5.512,31 3.619,32 4.492,33 4.737,34 3.48,35 3.724,36 5.451,37 3.598,38 4.515,39 4.765,40 3.425,41 3.663,42 5.518,43 3.541,44 4.398,45 4.647,46 3.097,47 3.477,48 5.437,49 3.323,50 4.293,51 4.598,52 2.718,53 3.17,54 5.276,55 2.993,56 0.023,57 0.525,58 7.997,59 3.501,60 8.075,61 4.646,62 0.176,63 0.822,64 14.193,65 5.387,66 33.599,67 7.606,68 0.136,69 0.954,70 17.464,71 6.506,72 22.251,73 9.145,74 0.224,75 1.01,76 20.542,77 7.647,78 43.86,79 10.522,80 0.248,81 1.018,82 20.154,83 7.66,84 24.546,85 11.023,86 0.15,87 0.982,88 21.021,89 7.765,90 32.311,91 10.998,92 0.209,93 0.841,94 19.065,95 6.737,96 44.758,97 9.397,98 0.32,99 0.679,100 18.615,101 5.683,102 57.288,103 8.098,104 23,105 28,106 0.268,107 0.649,108 0.836,109 0.883,110 0.883,111 0.883,112 3.057,113 0.943,114 -2.95,115 -2.95,116 -2.85,118 42.1,119 2,120 1,124 1,133 1,134 1,140 4,141 1,143 2,150 2,154 1,163 1,167 1,168 6,169 1,172 8,175 1,177 1,180 5,181 2,186 6,191 2,194 5,198 2,199 1,206 9,207 1,209 2,210 3,213 1,215 1,218 7,219 1,222 2,227 1,229 6,230 2,234 4,239 2,242 4,243 1,247 2,252 1,255 2,256 1,259 2,260 1,264 1,267 1,268 1,270 510,271 13.353,272 13.353,273 13.353,274 13.353,275 13.353,276 11.576,277 13.628,278 7.969,279 13.563,280 10.283,281 10.283,282 10.283,283 10.283,284 10.283,285 7.642,286 13.384,287 3.684,288 10.583,289 3.765,290 1.654,291 0.619,292 0.356,293 0.356,294 0.356,295 3.712,298 1,299 1,300 1,301 346,302 3.317,305 59.809,306 69.78,313 1.5,314 16.506,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 43,326 170,327 4.444,328 3.594,329 6.538,330 4.031,331 3.078,332 4.123,333 1.437,334 10.31,335 2.935,336 4.016,337 3.222,338 5.764,339 3.638,340 2.639,341 3.457,342 0.68,343 7.642,344 2.622,345 3.863,346 2.698,347 5.42,348 3.454,349 2.469,350 3.325,352 7.051,353 2.425,354 3.199,355 2.166,356 4.95,357 2.817,358 1.837,359 2.389,361 5.434,362 1.795,363 2.872,364 1.821,365 4.128,366 2.413,367 1.45,368 2.005,370 3.43,371 1.392,372 2.682,373 1.489,374 3.594,375 2.304,376 1.335,377 1.735,379 2.992,380 1.291,381 2.595,382 1.43,383 3.502,384 2.029,385 1.025,386 1.5,388 2.357,389 1.013,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.458,397 2.136,398 0.953,399 1.662,400 0.607,401 2.92,402 1.45,403 0.465,404 0.543,406 0.88,407 0.457,408 1.161,409 0.431,410 2.585,411 0.927,412 -0.052,413 -0.06,415 -0.101,416 -0.051,417 0.875,418 0.122,419 2.284,420 0.589,421 -0.4,422 -0.484,424 -0.958,425 -0.394,426 0.512,427 -0.205,428 2,429 0.106,430 -0.871,431 -1.116,433 -2,434 -0.848,435 0.5,436 -0.656,437 1.584,439 -1,440 -1.273,442 -2.019,443 -0.961,444 0.427,445 -1,446 1.555,447 -0.026,448 -1,449 -1.5,451 -2.347,452 -0.974,453 0.131,454 -1.026,455 1.422,456 -0.25,457 -1.229,458 -1.567,460 -2.991,461 -1.2,462 9.467,463 0.473,464 0.473,465 0.024,466 25.25,467 1.263,468 13,469 0.65,470 12.25,471 0.613,472 14.802,473 0.74,474 21.733,475 0.572,476 17.041,477 0.852,478 5.216,479 0.261,480 4.398,481 0.22,482 0.176,484 0.306,487 0.797,488 1.334,489 0.847,490 1.111,491 0.733,492 1.007,493 0.583,494 1.149,495 0.819,496 0.972,497 0.38,498 0.924,499 0.875,500 1.059,501 1.042,502 1.048,503 0.645,504 1.05,505 1.144,506 1.089,507 1.17,508 1.085,509 1.176,510 1.131,511 0.438,512 0.943,513 0.901,514 1.02,515 0.432,516 1.025,517 0.814,518 1.067,519 0.909,520 1.076,521 0.823,522 1.018,523 1.186,524 1.061,525 1.191,526 1.142,527 1.265,528 1.168,529 1.538,530 0.584,531 1.019,532 0.631,533 1.678,534 0.737,535 4,536 0.05,537 2.222,538 1.229,539 0.916,540 0.691,541 0.406,542 0.153,543 0.152,544 0.084,545 3474,546 10094,547 1.966,548 47.4,549 3,550 7,552 2,553 1,554 2,555 3,558 1.619,559 1.818,560 3.094,561 -0.32,563 1,565 1,567 56.363,568 1.483,569 3.593,570 4.629,571 4.892,572 4.892,573 4.892,574 2.571,575 3.922,576 4.291,577 3.237,578 615.007,579 7.34,580 6349.11,581 1,582 1,583 1,584 1,585 199.421,586 1.485,587 4.237,588 0.19,589 0.008,590 0.079,591 0.046,592 0.038,593 0.028,594 0.018,595 0.01,596 0.015,597 0.009,598 0.442,599 0.67,600 1,601 1.445,602 88.769,603 -0.052,604 -0.167,605 0.022,606 -0.034,607 -0.081,608 -0.006,609 0.176,610 -0.036,611 0.097,612 0.036,613 0.243,614 0.055,615 -0.106,616 0.024,617 -0.118,618 -0.058,619 0.007,620 -0.077,621 -0.176,622 -0.103,623 -0.216,624 -0.09,625 -0.18,626 -0.153,627 0.192,628 0.063,629 0.031,630 -0.032,631 0.083,632 -0.028,633 0.016,634 -0.128,635 0.054,636 -0.093,637 0.02,638 -0.024,639 -0.136,640 -0.141,641 -0.204,642 -0.177,643 -0.144,644 -0.198,645 -0.203,646 0.238,647 0.051,648 0.277,649 -0.22,650 0.213,651 2.553,652 3.915,653 0.55,654 16,655 0.998,656 1.125,657 1.716,658 2.944,659 0.658,660 3.091,661 3.367,662 3.584,663 3.761,664 3.871,665 3.871,666 3.912,667 3.892,668 3.85,669 3.714,670 5.211,671 0.623,672 270.36,673 3.091,674 4.595,675 5.416,676 6.267,677 7.112,678 7.971,679 8.826,680 9.69,681 10.55,682 11.417,683 5.3,691 1,693 1,699 6,700 1,704 3,705 1,706 11,724 38,726 13,728 21,730 39,731 16,733 9,736 3,739 2,740 2,745 2,751 1,753 12,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 18,773 3,774 1,775 4,779 2,784 1,785 2,795 1,797 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 2,840 20,845 1,846 2,862 5.3,864 1,865 1,869 11,870 7.35,871 4.583,872 2.321,874 2.402,875 1.387,876 0.927,877 4.617,878 8.605,879 3.384,880 3.946,881 4.467,882 4.962,883 5.342,884 5.515,885 5.848,886 6.142,887 6.364,888 6.577,889 0.833,890 27,891 7.354,893 2.98,894 7.867,895 13.941,897 10.875,899 2.367,900 47.333,901 0.001,904 200.109,905 100.561,906 18.685,908 67.828,911 100.561,912 267.937,913 18.685,914 17.65,915 4.64,916 47.381,917 109.066,918 26.365,919 5.513,920 176.567,922 200.109,923 119.246,924 67.828,927 164.795,928 103.142,931 42.285,932 50.7,933 26.262,935 200.109,936 86.513,937 100.561,940 200.109,941 17.435,942 85.026,944 84.614,945 200.109,946 86.513,947 100.561,949 0.57,950 0.332,951 0.166,952 0.087,953 12,954 6,955 0.128,956 5,958 1,959 3.197,960 140.311,962 11,963 86.439,968 14.385,969 6.42,970 3.514,972 84.614,973 11.568,974 4.116,978 3.224,979 2.124,980 42.683,981 387.183,982 28.5,987 10.915,989 1.707,991 -0.548,994 37.927,995 42.737,996 0.283,997 0.685,998 0.882,999 0.932,1000 0.932,1001 0.932,1002 4.582,1003 1,1004 5.389,1005 2.357,1006 4.043,1007 4.63,1008 1.801,1009 6.159,1010 3.989,1011 5.787,1012 0.465,1013 6.93,1014 2.136,1015 3.611,1016 4.369,1018 7.024,1019 3.524,1020 7.085,1021 -0.052,1022 8.575,1023 0.88,1024 5.595,1025 6.781,1026 2.297,1027 10.085,1028 5.481,1029 8.42,1030 -0.4,1031 10.278,1032 -0.101,1033 5.994,1034 7.354,1036 11.797,1037 5.834,1038 9.787,1039 -0.871,1040 12.021,1041 -0.958,1042 7.446,1043 9.216,1044 2.933,1045 14.372,1046 7.26,1047 11.176,1048 -1,1049 13.789,1050 -2,1051 8.219,1052 10.183,1054 16.435,1055 7.979,1056 12.582,1057 -1,1058 15.576,1059 -2.019,1060 9.459,1061 11.804,1062 3.621,1063 18.849,1064 9.187,1065 3.078,1066 -1.229,1067 17.378,1068 -2.347,1069 10.406,1070 12.973,1072 21.064,1073 10.078,1074 2.639,1075 10.31,1076 19.192,1077 -2.991,1078 11.56,1079 14.479,1080 4.33,1081 23.422,1082 11.194,1083 2.469,1084 7.642,1085 21.014,1086 4.123,1087 12.591,1088 15.757,1090 25.703,1091 12.167,1092 1.837,1093 7.051,1094 22.844,1095 3.457,1096 13.713,1097 17.21,1098 5.048,1099 28.043,1100 13.245,1101 1.45,1102 5.434,1103 24.681,1104 3.325,1105 14.784,1106 18.546,1108 30.352,1109 14.26,1110 1.335,1111 3.43,1112 26.523,1113 2.389,1114 15.897,1115 19.974,1116 5.769,1117 32.687,1118 15.324,1119 1.025,1120 2.992,1121 28.37,1122 2.005,1123 16.989,1124 21.344,1126 35.008,1127 16.361,1128 3590,1129 6196,1130 13.523,1131 25.012,1132 31.238,1133 31.49,1134 32.127,1135 30.613,1136 30.597,1137 41.069,1138 4.233,1139 84.46,1140 29.766,1141 5.214,1142 5.594,1143 6.34,1144 5.067,1145 5.078,1146 7.123,1147 2.873,1148 17.134,1149 4.897,1150 10.919,1151 1.488,1152 1.5,1153 1.53,1154 1.458,1155 1.457,1156 1.956,1157 0.202,1158 4.022,1159 1.417,1160 4.05,1161 4.093,1162 3.999,1163 3.937,1164 7.475,1165 3.946,1166 3.83,1167 3.873,1168 3.768,1169 3.726,1170 6.351,1171 3.731,1172 3.623,1173 3.651,1174 3.554,1175 3.473,1176 4.91,1177 3.483,1178 3.349,1179 3.434,1180 3.129,1181 3.187,1182 4.751,1183 3.161,1184 3.089,1185 3.146,1186 2.966,1187 2.952,1188 4.169,1189 2.941,1190 2.996,1191 3.038,1192 2.821,1193 2.633,1194 3.972,1195 2.682,1196 2.762,1197 2.848,1198 2.62,1199 2.571,1200 3.844,1201 2.567,1202 2.68,1203 2.761,1204 2.462,1205 2.487,1206 3.719,1207 2.481,1208 0.212,1209 0.171,1210 0.311,1211 0.192,1212 0.147,1213 4.444,1214 0.196,1215 3.594,1216 0.068,1217 6.538,1218 0.491,1219 4.031,1220 0.14,1221 3.078,1222 4.123,1223 1.437,1224 10.31,1225 2.935,1226 1.877,1227 1.84,1228 2.001,1229 2.008,1230 1.188,1231 2.008,1232 1.759,1233 1.725,1234 1.908,1235 1.911,1236 1.046,1237 1.91,1238 1.589,1239 1.534,1240 1.81,1241 1.771,1242 0.918,1243 1.781,1244 1.427,1245 1.378,1246 1.644,1247 1.579,1248 0.733,1249 1.602,1250 1.193,1251 1.123,1252 1.471,1253 1.406,1254 0.581,1255 1.43,1256 0.901,1257 0.83,1258 1.209,1259 1.267,1260 0.311,1261 1.228,1262 0.851,1263 0.814,1264 1.104,1265 1.1,1266 0.136,1267 1.132,1268 0.712,1269 0.624,1270 1.015,1271 0.977,1272 0.047,1273 0.995,1274 3.761,1276 5.043,1277 2.398,1278 6.512,1279 4.727,1280 8.059,1281 6.804,1282 9.648,1284 3.663,1289 8.963,1290 1.6,1300 23.687,1301 56.363,1302 136.55,1303 175.911,1304 185.911,1305 185.911,1306 185.911,1307 33.024,1308 6.203,1309 55.12,1310 55.12,1311 11,1312 11.964,1313 3.807,1314 3.087,1315 36.341,1316 61,1317 57,1318 0.297,1319 150.55,1320 259.94,1321 359.103,1322 3240,1324 14.535,1325 0.727,1326 0.585,1327 14.535,1328 11.706,1329 9.613,1330 0.458,1331 0.314,1332 6.532,1333 9.292,1334 6.292,1335 5.293,1336 9.613,1337 6.604,1338 8.366,1339 0.299,1340 0.167,1341 8.366,1342 4.664,1343 6.764,1344 0.193,1345 0.092,1346 6.764,1347 3.231,1348 5.094,1349 0.121,1350 0.052,1351 5.094,1352 2.189,1353 3.789,1354 0.081,1355 0.028,1356 3.789,1357 1.338,1358 0.456,1359 59.873,1360 0.272,1361 19.942,1362 0.838,1363 98,1364 291.175,1365 106.563,1366 284.334,1367 380.94,1368 264,1369 112,1370 273.3,1371 119.818,1372 279.033,1373 400.06,1374 261,1375 7.377} {0 CHEMBL354424,1 1.452,2 8.583,3 4.21,4 17.726,5 94.134,6 7.581,7 0.654,8 3.822,9 3.929,10 3.402,11 3.424,12 5.007,13 3.397,14 4.286,15 4.435,16 3.726,17 3.775,18 5.504,19 3.728,20 4.502,21 4.69,22 3.727,23 3.882,24 5.569,25 3.806,26 4.615,27 4.829,28 3.696,29 3.908,30 5.638,31 3.816,32 4.567,33 4.763,34 3.797,35 3.968,36 5.613,37 3.88,38 4.685,39 4.899,40 3.773,41 3.99,42 5.741,43 3.887,44 4.608,45 4.825,46 3.62,47 3.878,48 5.685,49 3.76,50 4.591,51 4.839,52 3.436,53 3.687,54 5.716,55 3.569,56 0.023,57 0.555,58 7.902,59 3.768,60 8.527,61 4.728,62 0.146,63 0.887,64 13.688,65 5.962,66 32.576,67 7.849,68 0.122,69 1.093,70 18.173,71 7.358,72 22.465,73 9.757,74 0.255,75 1.166,76 22.188,77 8.529,78 47.735,79 11.169,80 0.231,81 1.157,82 19.65,83 8.298,84 20.972,85 11.255,86 0.135,87 1.238,88 23.162,89 9.739,90 31.548,91 13.034,92 0.119,93 1.13,94 21.595,95 9.124,96 34.757,97 12.202,98 0.267,99 1.068,100 23.444,101 8.628,102 58.666,103 11.333,104 13,105 35,106 0.252,107 0.583,108 0.753,109 0.863,110 0.874,111 0.874,112 3.229,113 0.89,114 -3.93,115 -3.88,116 -3.68,118 47.6,119 1,120 1,133 1,134 1,140 9,141 1,142 1,143 2,150 2,154 1,163 1,167 1,168 10,169 1,172 9,175 1,177 1,180 9,181 2,186 8,191 2,194 7,198 3,199 1,206 13,207 1,209 2,210 3,213 1,215 1,218 17,219 1,222 2,227 1,229 16,230 3,234 6,239 3,242 11,243 3,247 6,252 3,255 6,256 2,259 4,260 1,264 2,267 2,268 1,270 926,271 16.259,272 16.259,273 16.259,274 16.259,275 16.259,276 13.793,277 15.209,278 9.866,279 16.427,280 12.856,281 12.856,282 12.856,283 12.856,284 12.856,285 9.295,286 15.884,287 4.716,288 13.144,289 3.94,290 2.028,291 1.049,292 0.417,293 0.351,294 0.351,295 3.91,299 1,300 1,301 433,302 3.24,305 69.296,306 153.769,313 1.368,314 17.324,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 51,326 206,327 4.549,328 3.595,329 6.807,330 4.136,331 3.187,332 4.259,333 1.437,334 11.257,335 3.025,336 4.033,337 3.325,338 5.778,339 3.648,340 2.648,341 3.458,342 0.68,343 7.665,344 2.633,345 3.901,346 2.762,347 5.477,348 3.509,349 2.521,350 3.411,352 7.276,353 2.488,354 3.679,355 2.33,356 5.208,357 3.218,358 2.229,359 3.182,361 6.253,362 2.202,363 3.199,364 2.142,365 4.942,366 2.817,367 1.837,368 2.389,370 5.428,371 1.795,372 2.93,373 1.779,374 3.951,375 2.472,376 1.487,377 2.103,379 3.291,380 1.462,381 2.847,382 1.508,383 3.597,384 2.359,385 1.388,386 1.986,388 3.016,389 1.345,390 2.598,391 1.442,392 3.504,393 2.029,394 1.025,395 1.5,397 2.358,398 1.013,399 2.5,400 1,401 3.436,402 2,403 1,404 1.5,406 2.136,407 1,408 2.5,409 1,410 3.247,411 1.956,412 1,413 1.458,415 2.136,416 0.953,417 2.296,418 0.826,419 3.247,420 1.784,421 0.806,422 1.191,424 2.041,425 0.786,426 1.321,427 0.448,428 2.858,429 1.081,430 0.098,431 0.114,433 0.259,434 0.096,435 0.938,436 0.346,437 2.415,438 0.621,439 -0.364,440 -0.451,442 -0.911,443 -0.358,444 0.708,445 -0.155,446 2.2,447 0.271,448 -0.712,449 -0.956,451 -1.665,452 -0.697,453 0.5,454 -0.544,455 2,456 0.031,457 -0.947,458 -1.269,460 -2,461 -0.921,462 11.467,463 0.478,464 0.524,465 0.022,466 33.75,467 1.406,468 19,469 0.792,470 14.75,471 0.615,472 16.46,473 0.686,474 24.533,475 0.584,476 24.379,477 1.016,478 7.03,479 0.293,480 4.617,481 0.192,482 0.102,484 0.297,487 0.783,488 1.162,489 0.78,490 0.969,491 0.728,492 0.891,493 0.545,494 1.2,495 0.835,496 1.024,497 0.406,498 0.972,499 0.878,500 1.118,501 1.055,502 1.07,503 0.656,504 1.07,505 1.206,506 0.915,507 1.055,508 0.87,509 1.171,510 0.93,511 0.488,512 0.891,513 0.923,514 0.966,515 0.459,516 0.991,517 0.781,518 1.048,519 0.96,520 1.085,521 0.791,522 1.055,523 0.799,524 1.112,525 1.029,526 1.181,527 0.849,528 1.148,529 1.398,530 0.913,531 1.052,532 0.945,533 1.509,534 0.957,535 4,536 0.05,537 2.222,538 1.472,539 0.912,540 0.81,541 0.633,542 0.245,543 0.238,544 0.138,545 5791,546 16468,547 2.064,548 42.9,549 3,550 10,552 2,553 1,554 2,558 1.677,559 1.946,560 3.104,561 -0.383,563 1,567 60.98,568 1.452,569 3.365,570 4.344,571 4.975,572 5.041,573 5.041,574 2.555,575 4.085,576 4.553,577 3.258,578 899.325,579 7.903,580 10581.6,582 1,584 1,585 226.477,586 1.347,587 4.522,588 0.154,589 0.007,590 0.063,591 0.043,592 0.028,593 0.022,594 0.018,595 0.008,596 0.01,597 0.009,598 0.363,599 0.5,600 1,601 1.139,602 112.611,603 -0.052,604 -0.102,605 0.027,606 0.003,607 -0.091,608 0.018,609 0.187,610 -0.141,611 0.025,612 -0.064,613 0.213,614 -0.046,615 -0.1,616 -0.065,617 -0.147,618 -0.119,619 -0.01,620 -0.131,621 -0.181,622 0.076,623 -0.079,624 0.1,625 -0.17,626 0.036,627 0.153,628 0.137,629 -0.019,630 0.007,631 0.055,632 -0.023,633 -0.005,634 -0.095,635 -0.012,636 -0.091,637 0.003,638 -0.058,639 -0.002,640 -0.177,641 -0.073,642 -0.183,644 -0.145,645 -0.122,646 0.003,647 0.01,648 0.039,649 -0.115,650 0.041,651 2.579,652 4.163,653 0.708,654 20.667,655 0.998,656 1.113,657 2.697,658 7.275,659 0.691,660 3.296,661 3.584,662 3.829,663 4.078,664 4.277,665 4.331,666 4.477,667 4.533,668 4.533,669 4.511,670 5.462,671 0.659,672 318.4,673 3.296,674 4.812,675 5.645,676 6.509,677 7.368,678 8.244,679 9.116,680 9.999,681 10.878,682 11.766,683 4.8,691 1,693 1,699 11,700 1,704 4,705 1,706 17,724 42,726 19,727 1,728 26,730 44,731 20,733 15,734 1,735 5,736 3,739 3,740 3,745 1,751 1,753 18,754 2,756 2,761 1,763 1,765 2,769 1,772 18,773 3,774 1,775 4,779 2,784 1,785 2,795 1,797 1,801 1,802 2,818 1,822 1,823 1,830 1,832 3,836 1,840 24,845 1,846 1,862 4.8,864 1,865 1,869 12.333,870 7.767,871 5.361,872 2.382,874 3.084,875 1.451,876 0.969,877 4.806,878 9.922,879 3.624,880 4.208,881 4.77,882 5.34,883 5.832,884 6.079,885 6.534,886 6.907,887 7.208,888 7.52,889 0.833,890 34,891 8.819,893 3.664,894 7.813,895 16.727,897 13.363,899 2.313,900 55.5,903 1,904 200.109,905 139.768,906 18.685,908 67.828,911 139.768,912 267.937,913 18.685,914 8.825,915 2.535,916 94.762,917 109.066,918 29.122,919 5.513,920 176.567,922 200.109,923 158.453,924 67.828,927 200.109,928 67.828,931 31.354,932 100.837,933 26.262,935 200.109,936 86.513,937 139.768,940 200.109,941 18.086,942 123.582,944 84.614,945 200.109,946 86.513,947 139.768,949 0.571,950 0.327,951 0.171,952 0.097,953 16,954 7,955 0.114,956 5,958 1,959 3.578,960 192.779,962 17,963 106.039,968 16.067,969 7.179,970 3.765,972 84.614,973 21.47,974 4.163,978 4.044,979 2.083,980 42.683,981 426.39,982 36.5,987 11.163,989 1.697,991 -0.608,994 41.927,995 46.737,996 0.269,997 0.624,998 0.806,999 0.923,1000 0.935,1001 0.935,1002 4.822,1003 1.025,1004 5.609,1005 3.016,1006 4.263,1007 4.894,1008 1.801,1009 6.392,1010 4.217,1011 6.027,1012 1,1013 7.148,1014 2.358,1015 3.761,1016 4.527,1018 7.269,1019 3.672,1020 7.319,1021 1,1022 8.793,1023 2.136,1024 5.814,1025 7.054,1026 2.297,1027 10.394,1028 5.708,1029 8.65,1030 0.806,1031 10.504,1032 2.136,1033 6.176,1034 7.546,1036 12.189,1037 6.007,1038 10.015,1039 0.098,1040 12.26,1041 2.041,1042 7.677,1043 9.496,1044 2.933,1045 14.83,1046 7.489,1047 11.404,1048 -0.364,1049 14.047,1050 0.259,1051 8.444,1052 10.418,1054 17.004,1055 8.184,1056 12.813,1057 -0.712,1058 15.859,1059 -0.911,1060 9.722,1061 12.101,1062 3.621,1063 19.493,1064 9.433,1065 3.187,1066 -0.947,1067 17.69,1068 -1.665,1069 10.686,1070 13.258,1072 21.82,1073 10.323,1074 2.648,1075 11.257,1076 19.535,1077 -2,1078 11.874,1079 14.811,1080 4.33,1081 24.261,1082 11.472,1083 2.521,1084 7.665,1085 21.393,1086 4.259,1087 12.934,1088 16.098,1090 26.646,1091 12.461,1092 2.229,1093 7.276,1094 23.26,1095 3.458,1096 14.091,1097 17.59,1098 5.048,1099 29.073,1100 13.569,1101 1.837,1102 6.253,1103 25.137,1104 3.411,1105 15.197,1106 18.949,1108 31.48,1109 14.608,1110 1.487,1111 5.428,1112 27.02,1113 3.182,1114 16.346,1115 20.413,1116 5.769,1117 33.902,1118 15.702,1119 1.388,1120 3.291,1121 28.909,1122 2.389,1123 17.475,1124 21.812,1126 36.318,1127 16.768,1128 5723,1129 9740,1130 17.394,1131 29.012,1132 39.178,1133 39.306,1134 39.491,1135 38.479,1136 38.45,1137 53.104,1138 4.233,1139 106.227,1140 37.596,1141 5.325,1142 5.595,1143 6.609,1144 5.172,1145 5.187,1146 7.259,1147 2.873,1148 18.085,1149 5.025,1150 10.719,1151 1.507,1152 1.512,1153 1.519,1154 1.48,1155 1.479,1156 2.042,1157 0.163,1158 4.086,1159 1.446,1160 4.085,1161 4.122,1162 4.042,1163 3.983,1164 7.475,1165 3.992,1166 3.853,1167 3.893,1168 3.787,1169 3.768,1170 6.351,1171 3.766,1172 3.766,1173 3.797,1174 3.695,1175 3.685,1176 4.925,1177 3.684,1178 3.594,1179 3.622,1180 3.526,1181 3.453,1182 4.836,1183 3.462,1184 3.091,1185 3.149,1186 2.968,1187 2.955,1188 4.604,1189 2.944,1190 2.997,1191 3.038,1192 2.824,1193 2.735,1194 4.162,1195 2.72,1196 2.854,1197 2.925,1198 2.728,1199 2.726,1200 3.845,1201 2.715,1202 2.846,1203 2.909,1204 2.687,1205 2.633,1206 3.72,1207 2.682,1208 0.175,1209 0.138,1210 0.262,1211 0.159,1212 0.123,1213 4.549,1214 0.164,1215 3.595,1216 0.055,1217 6.807,1218 0.433,1219 4.136,1220 0.116,1221 3.187,1222 4.259,1223 1.437,1224 11.257,1225 3.025,1226 1.931,1227 1.898,1228 2.038,1229 2.043,1230 1.181,1231 2.043,1232 1.85,1233 1.815,1234 1.974,1235 1.961,1236 1.068,1237 1.967,1238 1.711,1239 1.686,1240 1.859,1241 1.84,1242 0.951,1243 1.843,1244 1.491,1245 1.449,1246 1.657,1247 1.626,1248 0.747,1249 1.638,1250 1.304,1251 1.258,1252 1.509,1253 1.5,1254 0.614,1255 1.5,1256 0.957,1257 0.896,1258 1.221,1259 1.268,1260 0.337,1261 1.228,1262 0.886,1263 0.821,1264 1.181,1265 1.137,1266 0.218,1267 1.167,1268 0.859,1269 0.814,1270 1.13,1271 1.062,1272 0.152,1273 1.107,1274 3.97,1276 5.263,1277 2.398,1278 6.746,1279 4.727,1280 8.314,1281 6.823,1282 9.928,1284 1.603,1289 9.161,1290 0.725,1300 27.687,1301 60.98,1302 141.319,1303 182.438,1304 208.968,1305 211.722,1306 211.722,1307 36.17,1308 6.837,1309 55.12,1310 55.12,1311 17,1312 12.299,1313 4.322,1314 3.524,1315 38.865,1316 73,1317 81,1318 0.249,1319 172.744,1320 297.96,1321 413.256,1322 7289,1324 16.941,1325 0.706,1326 0.558,1327 16.941,1328 13.385,1329 11.648,1330 0.448,1331 0.297,1332 7.646,1333 11.339,1334 7.417,1335 6.21,1336 11.648,1337 7.715,1338 10.27,1339 0.293,1340 0.16,1341 10.27,1342 5.591,1343 8.365,1344 0.186,1345 0.085,1346 8.365,1347 3.816,1348 6.637,1349 0.114,1350 0.045,1351 6.637,1352 2.634,1353 5.373,1354 0.076,1355 0.025,1356 5.373,1357 1.756,1358 0.378,1359 72.042,1360 0.24,1361 23.127,1362 0.726,1363 122,1364 347.175,1365 130.897,1366 343.49,1367 467.45,1368 320,1369 141,1370 342.005,1371 149.318,1372 350.618,1373 505.28,1374 329,1375 4.62} {0 CHEMBL354662,1 1.562,2 17.92,3 8.317,4 69.174,5 204.847,6 7.752,7 0.5,8 4.598,9 4.712,10 4.235,11 4.211,12 5.64,13 4.16,14 5.157,15 5.331,16 4.632,17 4.624,18 6.148,19 4.55,20 5.415,21 5.616,22 4.77,23 4.814,24 6.354,25 4.714,26 5.502,27 5.701,28 4.864,29 4.904,30 6.453,31 4.79,32 5.546,33 5.736,34 4.828,35 4.967,36 6.47,37 4.844,38 5.675,39 5.887,40 4.918,41 5.043,42 6.56,43 4.898,44 5.718,45 5.957,46 4.757,47 4.992,48 6.557,49 4.828,50 5.674,51 5.948,52 4.58,53 4.85,54 6.473,55 4.678,56 0.054,57 1.307,58 18.285,59 8.623,60 13.474,61 11.182,62 0.382,63 2.215,64 37.572,65 14.826,66 39.282,67 19.562,68 0.48,69 2.792,70 54.545,71 19.995,72 53.648,73 25.914,74 0.525,75 3.058,76 62.03,77 22.197,78 63.306,79 28.794,80 0.444,81 3.19,82 64.259,83 24.486,84 59.011,85 30.932,86 0.511,87 3.517,88 75.628,89 27.704,90 64.695,91 36.178,92 0.594,93 3.603,94 79.829,95 28.614,96 73.774,97 38.424,98 0.679,99 3.357,100 77.815,101 26.699,102 76.97,103 36.958,104 34,105 79,106 0.229,107 0.562,108 0.784,109 0.879,110 0.901,111 0.901,112 3.935,113 0.995,114 -7.72,115 -7.49,116 -6.91,118 44,119 3,120 5,124 4,126 1,133 1,134 1,140 10,141 6,142 1,143 2,150 1,151 1,153 1,154 1,157 2,162 1,168 21,171 3,172 14,180 27,185 2,186 14,194 24,197 1,198 20,206 29,209 1,210 13,218 31,221 1,222 15,229 33,233 2,234 14,242 21,246 1,247 18,255 17,259 15,267 15,270 5920,271 34.421,272 34.421,273 34.421,274 34.421,275 34.421,276 30.514,277 36.395,278 20.542,279 35.285,280 27.678,281 27.678,282 27.678,283 27.678,284 27.678,285 21.67,286 47.067,287 9.732,288 29.058,289 4.946,290 2.667,291 1.148,292 0.503,293 0.355,294 0.355,295 4.653,297 1,301 1980,302 4.637,305 183.067,306 562.855,307 135.639,309 152.451,310 381.653,313 2.766,314 35.866,317 0.5,318 0.33,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.49,325 105.333,326 896,327 4.777,328 3.681,329 7.189,330 4.376,331 3.434,332 4.517,333 2.443,334 12.682,335 3.245,336 4.392,337 3.625,338 6.687,339 4.028,340 3.032,341 4.001,342 0.995,343 10.738,344 3.024,345 4.361,346 3.245,347 6.508,348 3.957,349 3.012,350 3.986,351 0.795,352 10.225,353 2.832,354 4.232,355 3.208,356 6.358,357 3.833,358 2.89,359 3.837,360 0.359,361 9.645,362 2.712,363 3.934,364 3.063,365 5.772,366 3.576,367 2.607,368 3.48,369 0.286,370 7.921,371 2.536,372 3.661,373 2.877,374 5.639,375 3.35,376 2.372,377 2.976,379 7.383,380 2.297,381 3.655,382 2.737,383 5.519,384 3.298,385 2.346,386 2.866,388 7.054,389 2.224,390 3.568,391 2.543,392 5.221,393 3.263,394 2.324,395 2.825,397 6.305,398 2.166,399 3.449,400 2.288,401 5.029,402 3.045,403 2.076,404 2.678,406 6.066,407 2.007,408 3.21,409 2.098,410 4.977,411 2.841,412 1.899,413 2.38,415 5.455,416 1.781,417 3.109,418 2.015,419 4.89,420 2.705,421 1.778,422 2.275,424 5.289,425 1.662,426 2.936,427 1.907,428 4.631,429 2.655,430 1.676,431 2.059,433 4.487,434 1.605,435 2.869,436 1.854,437 4.184,438 2.478,439 1.54,440 2.02,442 3.802,443 1.432,444 2.835,445 1.814,446 4.125,447 2.437,448 1.465,449 1.934,451 3.378,452 1.414,453 2.761,454 1.639,455 3.908,456 2.35,457 1.414,458 1.806,460 3.185,461 1.258,462 24.614,463 0.492,464 1.11,465 0.022,466 62.5,467 1.25,468 30.5,469 0.61,470 32,471 0.64,472 59.632,473 1.193,474 52.186,475 0.573,476 53.86,477 1.077,478 11.805,479 0.236,480 12.602,481 0.252,482 0.104,484 0.337,487 0.678,488 1.219,489 0.689,490 0.977,491 0.587,492 0.932,493 0.831,494 1.047,495 0.752,496 0.874,497 0.592,498 0.869,499 1.088,500 0.983,501 0.938,502 0.9,503 0.922,504 0.882,505 0.986,506 1.065,507 1.027,508 1.026,509 1.041,510 0.969,511 0.969,512 1.114,513 1.175,514 1.16,515 1.058,516 1.078,517 0.796,518 1.106,519 1.045,520 1.106,521 0.756,522 1.111,523 0.785,524 1.099,525 1.145,526 1.141,527 0.708,528 1.144,529 0.751,530 0.923,531 0.958,532 0.955,533 0.64,534 0.988,535 8,536 0.361,537 5.111,538 4.042,539 2.764,540 2.067,541 1.405,542 0.839,543 0.634,544 0.392,545 50544,546 128075,547 2.142,548 45.1,549 6,550 20,552 2,554 5,555 8,558 1.853,559 2.027,560 4.01,561 -0.796,567 142.163,568 1.562,569 3.841,570 5.359,571 6.005,572 6.153,573 6.153,574 3.485,575 5.444,576 5.612,577 4.269,578 5229.73,579 9.989,580 107229,585 592.209,586 1.33,587 5.586,588 0.143,589 0.005,590 0.065,591 0.046,592 0.03,593 0.022,594 0.015,595 0.01,596 0.009,597 0.006,598 0.352,599 0.17,600 0.5,601 1.348,602 302.029,603 0.054,604 -0.102,605 0.062,606 -0.019,607 0.016,608 0.007,609 0.11,610 0.039,611 0.101,612 0.087,613 0.107,614 0.076,615 -0.07,616 0.074,617 0.043,618 0.106,619 -0.043,620 0.083,621 -0.037,622 -0.007,623 0.026,624 0.026,625 -0.044,626 0.011,627 -0.114,628 -0.056,629 -0.139,630 -0.08,631 -0.137,632 -0.088,633 -0.024,634 -0.089,635 -0.027,636 -0.076,637 -0.058,638 -0.112,639 -0.014,640 -0.111,641 -0.108,642 -0.138,643 -0.046,644 -0.139,645 0.033,646 0.034,647 0.019,648 0.006,649 0.023,650 0.021,651 1.79,652 4.801,653 0.7,654 74.456,655 0.995,656 1.118,657 6.494,658 42.167,659 0.694,660 4.043,661 4.382,662 4.71,663 5.05,664 5.328,665 5.541,666 5.787,667 6.023,668 6.205,669 6.353,670 10.216,671 0.649,672 705.39,673 4.043,674 5.602,675 6.475,676 7.376,677 8.274,678 9.188,679 10.1,680 11.023,681 11.944,682 12.874,683 6.6,686 1,691 1,692 1,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,723 1,724 91,726 31,727 2,728 56,730 97,731 40,733 23,734 4,735 8,736 3,739 7,740 13,741 1,745 3,748 2,751 6,753 27,754 13,756 3,761 1,763 1,764 1,765 3,772 41,773 7,775 10,776 2,779 6,784 0.571,785 2,795 1,801 2,802 4,803 1,805 1,806 2,819 1,822 1,823 1,828 1,832 4,834 1,836 3,837 1,840 50,846 9,848 1,850 1,851 1,856 1,859 1,861 1,862 2.2,865 1,867 1,869 24.667,870 17.51,871 11,872 5.987,874 5.404,875 1.537,876 1.005,877 10.7,878 15.459,879 4.304,880 4.905,881 5.519,882 6.14,883 6.653,884 7.032,885 7.512,886 7.957,887 8.364,888 8.717,889 0.917,890 88,891 18.517,893 7.88,894 7.552,895 36.24,897 30.448,899 2.052,900 102.611,904 482.615,905 246.361,906 71.92,907 39.149,908 36.145,910 31.278,911 215.083,912 557.909,913 71.92,914 26.476,915 23.582,916 104.239,917 113.403,918 77.633,919 1.358,920 490.351,921 39.149,922 482.615,923 287.003,924 36.145,925 70.426,927 388.446,928 130.314,931 95.547,932 131.869,933 98.736,934 31.278,935 482.615,936 108.065,937 285.509,940 482.615,941 97.551,942 153.833,944 142.191,945 482.615,946 108.065,947 285.509,949 0.577,950 0.342,951 0.197,952 0.108,953 38,954 17,955 0.124,956 12,957 3,958 1.171,959 5.614,960 573.02,961 0.171,962 35,963 282.193,964 1,968 34.486,969 15.513,970 7.423,972 106.166,973 24.698,974 13.411,977 1.828,978 11.916,979 2.202,981 876.19,982 73,987 11.801,989 2.285,990 5.24,991 1.985,994 90.57,995 101.746,996 0.24,997 0.59,998 0.824,999 0.923,1000 0.946,1001 0.946,1002 5.557,1003 2.324,1004 6.46,1005 7.054,1006 5.069,1007 5.595,1008 2.664,1009 7.313,1010 4.976,1011 6.762,1012 2.076,1013 8.037,1014 6.305,1015 4.635,1016 5.352,1017 2.283,1018 8.296,1019 4.482,1020 8.074,1021 1.899,1022 9.72,1023 6.066,1024 6.688,1025 7.778,1026 3.888,1027 11.471,1028 6.511,1029 9.425,1030 1.778,1031 11.467,1032 5.455,1033 7.124,1034 8.414,1035 4.278,1036 13.347,1037 6.884,1038 10.812,1039 1.676,1040 13.259,1041 5.289,1042 8.622,1043 10.279,1044 5.493,1045 16.045,1046 8.358,1047 12.226,1048 1.54,1049 15.081,1050 4.487,1051 9.462,1052 11.334,1053 6.16,1054 18.285,1055 9.135,1056 13.662,1057 1.465,1058 16.926,1059 3.802,1060 10.75,1061 12.966,1062 7.209,1063 20.837,1064 10.392,1065 3.434,1066 1.414,1067 18.789,1068 3.378,1069 11.78,1070 14.228,1071 7.993,1072 23.231,1073 11.362,1074 3.032,1075 12.682,1076 20.666,1077 3.185,1078 12.993,1079 15.761,1080 8.963,1081 25.745,1082 12.535,1083 3.012,1084 10.738,1085 22.555,1086 4.517,1087 14.111,1088 17.127,1089 9.802,1090 28.206,1091 13.595,1092 2.89,1093 10.225,1094 24.453,1095 4.001,1096 15.303,1097 18.62,1098 10.734,1099 30.714,1100 14.741,1101 2.607,1102 9.645,1103 26.359,1104 3.986,1105 16.464,1106 20.039,1107 11.599,1108 33.208,1109 15.845,1110 2.372,1111 7.921,1112 28.271,1113 3.837,1114 17.655,1115 21.519,1116 12.512,1117 35.721,1118 16.985,1119 2.346,1120 7.383,1121 30.19,1122 3.48,1123 18.839,1124 22.968,1125 13.391,1126 38.232,1127 18.111,1128 46989,1129 75026,1130 38.085,1131 63.154,1132 85.301,1133 85.671,1134 87.151,1135 84.189,1136 83.989,1137 108.554,1138 9.755,1139 244.739,1140 79.927,1141 5.724,1142 5.681,1143 6.99,1144 5.542,1145 5.434,1146 7.517,1147 4.174,1148 20.396,1149 5.245,1150 23.313,1151 1.523,1152 1.53,1153 1.556,1154 1.503,1155 1.5,1156 1.938,1157 0.174,1158 4.37,1159 1.427,1160 4.137,1161 4.17,1162 4.33,1163 4.089,1164 7.432,1165 4.061,1166 3.999,1167 4.029,1168 3.999,1169 3.948,1170 5.1,1171 3.941,1172 3.873,1173 3.901,1174 3.954,1175 3.828,1176 4.945,1177 3.81,1178 3.843,1179 3.895,1180 3.819,1181 3.73,1182 4.917,1183 3.731,1184 3.773,1185 3.812,1186 3.743,1187 3.632,1188 4.725,1189 3.65,1190 3.742,1191 3.785,1192 3.626,1193 3.593,1194 4.615,1195 3.587,1196 3.547,1197 3.596,1198 3.454,1199 3.366,1200 4.468,1201 3.371,1202 3.449,1203 3.523,1204 3.39,1205 3.27,1206 4.391,1207 3.276,1208 0.085,1209 0.066,1210 0.128,1211 0.078,1212 0.061,1213 4.777,1214 0.081,1215 3.681,1216 0.044,1217 7.189,1218 0.226,1219 4.376,1220 0.058,1221 3.434,1222 4.517,1223 2.443,1224 12.682,1225 3.245,1226 1.991,1227 1.967,1228 2.094,1229 2.071,1230 1.34,1231 2.081,1232 1.922,1233 1.902,1234 2.008,1235 2,1236 1.314,1237 2.008,1238 1.829,1239 1.791,1240 1.977,1241 1.954,1242 1.178,1243 1.965,1244 1.751,1245 1.716,1246 1.929,1247 1.898,1248 1.103,1249 1.91,1250 1.722,1251 1.672,1252 1.888,1253 1.864,1254 1.04,1255 1.876,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.993,1261 1.846,1262 1.545,1263 1.499,1264 1.804,1265 1.744,1266 0.939,1267 1.763,1268 1.504,1269 1.452,1270 1.722,1271 1.726,1272 0.864,1273 1.732,1274 4.727,1276 6.061,1277 3.045,1278 7.587,1279 5.533,1280 9.206,1281 7.751,1282 10.879,1284 5.941,1285 6.798,1290 7.03,1292 5.094,1294 -0.153,1295 2.537,1300 59.055,1301 142.163,1302 349.523,1303 487.706,1304 546.435,1305 559.945,1306 559.945,1307 85.029,1308 10.054,1309 85.5,1310 113.74,1311 41,1312 13.378,1313 5,1314 4.17,1315 73.039,1316 311,1317 390,1318 0.114,1319 364.094,1320 634.6,1321 880.15,1322 430766,1323 1.1,1324 34.614,1325 0.692,1326 0.606,1327 35.467,1328 30.305,1329 24.406,1330 0.436,1331 0.332,1332 17.324,1333 23.009,1334 16.732,1335 13.832,1336 25.103,1337 18.581,1338 21.8,1339 0.276,1340 0.181,1341 22.787,1342 14.32,1343 18.778,1344 0.171,1345 0.099,1346 19.931,1347 10.87,1348 16.63,1349 0.107,1350 0.056,1351 18.04,1352 8.637,1353 13.705,1354 0.067,1355 0.031,1356 15.031,1357 6.382,1358 0.182,1359 158.11,1360 0.162,1361 42.949,1362 0.302,1363 270,1364 702.406,1365 329.722,1366 738.163,1367 1024.81,1368 696,1369 324,1370 736.074,1371 379.877,1372 771.576,1373 1141.74,1374 730,1375 7.167} {0 CHEMBL355596,1 1.646,2 11.321,3 4.356,4 18.976,5 108.242,6 8.619,7 0.4,8 3.987,9 4.073,10 3.664,11 3.562,12 5.12,13 3.539,14 4.533,15 4.659,16 4.041,17 3.947,18 5.724,19 3.897,20 4.814,21 4.99,22 4.128,23 4.099,24 5.839,25 4.012,26 4.901,27 5.098,28 4.218,29 4.06,30 5.983,31 3.978,32 4.785,33 4.98,34 3.987,35 4.045,36 5.753,37 3.955,38 4.872,39 5.089,40 4.04,41 4.092,42 5.849,43 3.977,44 4.798,45 5.013,46 3.981,47 4.058,48 5.765,49 3.934,50 4.755,51 4.967,52 3.954,53 3.982,54 5.804,55 3.853,56 0.094,57 0.612,58 8.118,59 4.704,60 14.507,61 5.506,62 0.457,63 0.992,64 17.479,65 8.056,66 52.432,67 9.489,68 0.469,69 1.243,70 30.267,71 11.338,72 62.805,73 13.689,74 0.948,75 1.288,76 41.896,77 12.057,78 86.442,79 14.123,80 0.472,81 1.25,82 27.486,83 10.804,84 53.183,85 13.392,86 0.737,87 1.343,88 36.63,89 11.913,90 71.817,91 15.146,92 0.489,93 1.252,94 30.159,95 11.334,96 61.193,97 14.416,98 0.581,99 1.135,100 36.329,101 10.926,102 66.082,103 13.629,104 23,105 40,106 0.28,107 0.625,108 0.819,109 0.913,110 0.927,111 0.927,112 3.374,113 0.979,114 -4.89,115 -4.79,116 -4.5,118 42.9,120 3,121 1,124 1,126 1,127 1,133 2,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 8,175 1,177 1,180 13,181 1,186 7,191 1,194 8,195 1,197 1,198 12,203 1,206 10,207 1,210 5,215 1,218 8,219 1,221 1,222 8,227 1,229 13,230 1,234 5,239 1,242 12,247 4,248 2,255 12,256 1,258 2,259 2,262 2,264 1,267 8,268 1,270 1468,271 18.828,272 18.828,273 18.828,274 18.828,275 18.828,276 16.83,277 18.465,278 11.48,279 19.232,280 14.836,281 14.836,282 14.836,283 14.836,284 14.836,285 11.99,286 19.164,287 5.503,288 15.597,289 3.969,290 1.938,291 0.798,292 0.245,293 0.163,294 0.163,295 4.058,297 2,299 1,300 1,301 662,302 3.391,306 287.133,313 1.844,314 33.709,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 61.167,326 317,327 4.335,328 3.635,329 6.582,330 4.082,331 3.118,332 3.929,333 2.341,334 10.478,335 3.001,336 4.147,337 3.597,338 6.382,339 3.855,340 2.894,341 3.578,342 1.902,343 9.718,344 2.772,345 3.628,346 3.259,347 5.283,348 3.277,349 2.333,350 2.911,351 0.869,352 6.58,353 2.238,354 3.561,355 2.904,356 5.201,357 3.239,358 2.244,359 2.729,360 0.22,361 6.311,362 2.197,363 3.47,364 2.59,365 4.741,366 3.153,367 2.195,368 2.665,370 5.183,371 2.013,372 3.129,373 2.367,374 4.659,375 2.69,376 1.795,377 2.218,379 4.966,380 1.619,381 2.987,382 2.007,383 4.152,384 2.575,385 1.63,386 2.117,388 3.727,389 1.433,390 2.831,391 1.865,392 3.952,393 2.445,394 1.479,395 1.901,397 3.241,398 1.412,399 2.59,400 1.599,401 3.633,402 2.211,403 1.246,404 1.604,406 3.104,407 1.166,408 2.5,409 1.378,410 3.48,411 1.958,412 1,413 1.5,415 2.476,416 0.955,417 2.171,418 1.212,419 3.247,420 1.913,421 1,422 1.137,424 2.136,425 0.903,426 1.928,427 1,428 3.07,429 1.778,430 0.787,431 0.845,433 1.684,434 0.772,435 1.414,436 0.769,437 2.766,438 1.102,439 0.179,440 0.208,442 0.415,443 0.152,444 1.134,445 0.591,446 2.545,447 0.793,448 -0.114,449 -0.133,451 -0.266,452 -0.092,453 0.796,454 0.265,455 2.359,456 0.521,457 -0.449,458 -0.49,460 -1.05,461 -0.293,462 13.662,463 0.488,464 0.63,465 0.023,466 32,467 1.143,468 14.5,469 0.518,470 17.5,471 0.625,472 26.466,473 0.945,474 30.738,475 0.627,476 23.783,477 0.849,478 6.412,479 0.229,480 7.13,481 0.255,482 0.153,484 0.293,487 0.757,488 1.198,489 0.576,490 0.955,491 0.711,492 0.897,493 0.854,494 1.127,495 0.716,496 0.951,497 0.547,498 0.993,499 1.006,500 1.142,501 0.917,502 1.064,503 0.909,504 1.054,505 1.163,506 0.86,507 0.857,508 0.889,509 0.797,510 0.905,511 0.911,512 1.089,513 0.717,514 0.952,515 0.629,516 0.996,517 0.752,518 0.913,519 0.89,520 0.959,521 0.628,522 0.988,523 0.802,524 1.029,525 0.773,526 0.899,527 0.764,528 0.979,529 0.982,530 0.998,531 1.22,532 1.06,533 0.928,534 1.051,535 5,536 0.157,537 2.889,538 1.688,539 1.138,540 0.924,541 0.646,542 0.306,543 0.32,544 0.245,545 9376,546 33456,547 2.034,548 42.9,549 4,550 10,551 1,552 2,553 1,554 2,556 1,558 1.714,559 1.909,560 3.454,561 -0.323,563 1,567 80.643,568 1.646,569 3.677,570 4.816,571 5.37,572 5.451,573 5.451,574 2.968,575 4.236,576 4.768,577 3.642,578 1376.72,579 8.32,580 18454.7,582 1,584 1,585 275.121,586 1.379,587 4.74,588 0.167,589 0.008,590 0.072,591 0.041,592 0.029,593 0.024,594 0.017,595 0.009,596 0.01,597 0.009,598 0.387,599 0.17,600 1,601 1.603,602 141.08,603 -0.054,604 -0.068,605 0.008,606 -0.018,607 -0.067,608 0.011,609 0.063,610 -0.057,611 -0.02,612 -0.017,613 0.132,614 -0.079,615 -0.097,616 -0.151,617 -0.04,618 -0.094,619 -0.094,620 -0.081,621 -0.01,622 0.093,623 0.098,624 0.075,625 0.011,626 0.06,627 -0.082,628 -0.083,629 -0.002,630 -0.016,631 -0.02,632 -0.025,633 0.05,634 0.09,635 -0.003,636 0.001,637 0.001,638 0.009,639 -0.055,640 -0.042,641 0.042,642 0.062,643 -0.061,644 0.026,645 -0.099,646 -0.029,647 -0.101,648 -0.052,649 -0.111,650 -0.039,651 2.468,652 3.621,653 0.643,654 30.888,655 1.016,656 1.118,657 3.658,658 13.379,659 0.692,660 3.434,661 3.714,662 3.932,663 4.174,664 4.407,665 4.477,666 4.605,667 4.718,668 4.804,669 4.828,670 6.746,671 0.66,672 422.33,673 3.434,674 4.949,675 5.771,676 6.629,677 7.477,678 8.346,679 9.207,680 10.084,681 10.953,682 11.834,683 2,693 1,699 7,700 1,704 4,706 12,723 2,724 49,726 14,727 1,728 30,730 51,731 21,733 11,734 3,735 3,739 3,740 3,741 2,748 1,749 1,751 4,753 14,754 7,755 1,756 2,761 1,763 2,765 1,769 1,772 21,773 5,774 1,775 7,776 2,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,837 2,840 28,845 1,846 4,848 2,850 3,861 2,862 8.2,864 1,865 1,866 2,869 14.667,870 8.436,871 6.278,872 2.873,874 1.981,875 1.276,876 0.93,877 7.598,878 9.144,879 3.664,880 4.159,881 4.585,882 5.05,883 5.517,884 5.547,885 5.753,886 6.046,887 6.356,888 6.644,889 0.875,890 41,891 10.353,893 4.37,894 7.913,895 19.52,897 15.861,899 2.413,900 67.556,903 1,904 235.422,905 111.266,906 16.786,907 78.297,908 89.828,911 111.266,912 403.547,913 16.786,915 12.196,916 66.693,917 131.066,918 31.467,919 11.771,920 200.109,921 78.297,922 235.422,923 128.052,924 89.828,925 78.297,927 223.651,928 79.599,929 22,930 0.36,931 30.291,932 61.663,933 114.035,935 235.422,936 106.614,937 189.564,940 235.782,941 26.478,942 84.429,944 184.911,945 235.422,946 106.614,947 189.564,949 0.568,950 0.313,951 0.169,952 0.094,953 17,954 8,955 0.137,956 7,958 1,959 3.966,960 232.102,962 18,963 134.606,968 20.968,969 10.147,970 5.871,972 106.614,973 12.59,974 4.203,978 2.743,980 42.683,981 531.599,982 38,987 10.621,989 3.871,991 -0.801,994 49.778,995 54.791,996 0.293,997 0.655,998 0.858,999 0.956,1000 0.971,1001 0.971,1002 4.883,1003 1.479,1004 5.733,1005 3.727,1006 4.394,1007 4.844,1008 2.863,1009 6.5,1010 4.295,1011 6.044,1012 1.246,1013 7.262,1014 3.241,1015 3.892,1016 4.443,1017 2.521,1018 7.345,1019 3.698,1020 7.312,1021 1,1022 8.896,1023 3.104,1024 5.932,1025 6.857,1026 4.05,1027 10.45,1028 5.761,1029 8.608,1030 1,1031 10.595,1032 2.476,1033 6.256,1034 7.241,1035 4.358,1036 12.175,1037 6.005,1038 9.936,1039 0.787,1040 12.338,1041 2.136,1042 7.762,1043 9.157,1044 5.485,1045 14.792,1046 7.519,1047 11.286,1048 0.179,1049 14.113,1050 1.684,1051 8.491,1052 9.943,1053 6.075,1054 16.872,1055 8.183,1056 12.654,1057 -0.114,1058 15.91,1059 0.415,1060 9.768,1061 11.621,1062 7.037,1063 19.313,1064 9.45,1065 3.118,1066 -0.449,1067 17.725,1068 -0.266,1069 10.701,1070 12.634,1071 7.759,1072 21.539,1073 10.327,1074 2.894,1075 10.478,1076 19.552,1077 -1.05,1078 11.88,1079 14.181,1080 8.65,1081 23.912,1082 11.484,1083 2.333,1084 9.718,1085 21.39,1086 3.929,1087 12.911,1088 15.328,1089 9.435,1090 26.198,1091 12.466,1092 2.244,1093 6.58,1094 23.235,1095 3.578,1096 14.051,1097 16.798,1098 10.298,1099 28.545,1100 13.576,1101 2.195,1102 6.311,1103 25.086,1104 2.911,1105 15.129,1106 18.027,1107 11.114,1108 30.857,1109 14.61,1110 1.795,1111 5.183,1112 26.942,1113 2.729,1114 16.254,1115 19.452,1116 11.966,1117 33.195,1118 15.702,1119 1.63,1120 4.966,1121 28.802,1122 2.665,1123 17.355,1124 20.731,1125 12.798,1126 35.518,1127 16.761,1128 9302,1129 17685,1130 19.879,1131 33.915,1132 44.448,1133 45.205,1134 44.958,1135 44.117,1136 43.8,1137 54.682,1138 10.663,1139 120.039,1140 41.27,1141 5.335,1142 5.635,1143 6.384,1144 5.155,1145 5.118,1146 6.929,1147 3.925,1148 17.304,1149 5.001,1150 14.351,1151 1.482,1152 1.507,1153 1.499,1154 1.471,1155 1.46,1156 1.823,1157 0.355,1158 4.001,1159 1.376,1160 3.996,1161 4.017,1162 4.102,1163 3.907,1164 7.474,1165 3.905,1166 3.872,1167 3.896,1168 3.87,1169 3.807,1170 6.351,1171 3.803,1172 3.754,1173 3.798,1174 3.656,1175 3.643,1176 5.041,1177 3.636,1178 3.616,1179 3.651,1180 3.605,1181 3.443,1182 4.911,1183 3.45,1184 3.37,1185 3.389,1186 3.513,1187 3.156,1188 4.726,1189 3.177,1190 3.097,1191 3.123,1192 3.295,1193 2.966,1194 4.606,1195 2.959,1196 2.963,1197 3.014,1198 3.1,1199 2.796,1200 4.369,1201 2.791,1202 2.88,1203 2.922,1204 2.827,1205 2.792,1206 4.066,1207 2.767,1208 0.144,1209 0.121,1210 0.219,1211 0.136,1212 0.104,1213 4.335,1214 0.131,1215 3.635,1216 0.078,1217 6.582,1218 0.349,1219 4.082,1220 0.1,1221 3.118,1222 3.929,1223 2.341,1224 10.478,1225 3.001,1226 1.927,1227 1.908,1228 2.048,1229 2.057,1230 1.36,1231 2.053,1232 1.859,1233 1.835,1234 1.937,1235 1.934,1236 1.142,1237 1.946,1238 1.748,1239 1.704,1240 1.923,1241 1.892,1242 1.099,1243 1.906,1244 1.57,1245 1.529,1246 1.78,1247 1.766,1248 0.935,1249 1.77,1250 1.282,1251 1.254,1252 1.504,1253 1.532,1254 0.658,1255 1.516,1256 1.036,1257 1.01,1258 1.227,1259 1.264,1260 0.439,1261 1.253,1262 0.94,1263 0.888,1264 1.215,1265 1.164,1266 0.397,1267 1.179,1268 0.868,1269 0.824,1270 1.119,1271 1.082,1272 0.27,1273 1.1,1274 4.111,1276 5.398,1278 6.88,1280 8.459,1282 10.092,1285 12.308,1289 8.729,1290 1.814,1292 12.216,1294 -0.738,1300 32.33,1301 80.643,1302 180.173,1303 236.001,1304 263.121,1305 267.121,1306 267.121,1307 62.056,1308 7.163,1309 68.65,1310 68.65,1311 18,1312 12.372,1313 3.907,1314 3.17,1315 49.494,1316 106,1317 134,1318 0.218,1319 206.055,1320 368.44,1321 494.535,1322 11230,1323 4.1,1324 19.933,1325 0.712,1326 0.594,1327 20.933,1328 16.644,1329 13.542,1330 0.451,1331 0.326,1332 8.976,1333 12.485,1334 8.756,1335 7.184,1336 14.119,1337 9.786,1338 11.986,1339 0.3,1340 0.185,1341 12.765,1342 7.417,1343 9.304,1344 0.186,1345 0.102,1346 9.898,1347 5.082,1348 7.714,1349 0.121,1350 0.057,1351 8.463,1352 3.618,1353 6.146,1354 0.076,1355 0.03,1356 6.524,1357 2.415,1358 0.34,1359 90.981,1360 0.224,1361 26.863,1362 0.602,1363 140,1364 463.408,1365 184.826,1366 495.248,1367 635.3,1368 460,1369 160,1370 393.505,1371 194.595,1372 414.658,1373 606.74,1374 389,1375 7.377} {0 CHEMBL357723,1 1.462,2 18.975,3 5.298,4 28.068,5 153.579,6 6.908,7 0.395,8 4.436,9 4.553,10 3.925,11 3.959,12 5.497,13 3.926,14 5,15 5.176,16 4.235,17 4.353,18 6.045,19 4.28,20 5.291,21 5.526,22 4.26,23 4.498,24 6.209,25 4.383,26 5.346,27 5.591,28 4.228,29 4.502,30 6.265,31 4.375,32 5.329,33 5.586,34 4.174,35 4.492,36 6.187,37 4.354,38 5.297,39 5.555,40 4.148,41 4.434,42 6.204,43 4.304,44 5.204,45 5.45,46 4.126,47 4.352,48 6.149,49 4.242,50 5.141,51 5.369,52 4.146,53 4.304,54 6.145,55 4.214,56 0.038,57 1.079,58 17.553,59 7.817,60 13.326,61 10.31,62 0.403,63 1.744,64 32.89,65 13.016,66 57.152,67 17.814,68 0.464,69 2.167,70 45.734,71 17.197,72 72.007,73 24.138,74 0.647,75 2.234,76 49.055,77 17.63,78 84.466,79 25.049,80 0.437,81 2.218,82 47.905,83 17.664,84 69.28,85 25.364,86 0.464,87 2.147,88 46.734,89 16.391,90 77.177,91 23.753,92 0.432,93 1.967,94 42.476,95 14.588,96 66.51,97 20.992,98 0.455,99 1.835,100 39.834,101 13.742,102 63.563,103 19.335,104 26,105 56,106 0.223,107 0.549,108 0.737,109 0.839,110 0.872,111 0.872,112 3.717,113 0.993,114 -4.72,115 -4.63,116 -4.36,118 40.5,120 10,121 1,123 1,124 1,126 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 7,175 2,177 2,180 24,181 1,185 1,186 9,189 1,191 2,194 23,195 1,197 1,198 9,201 1,203 2,206 18,207 1,210 10,215 4,218 15,219 1,222 12,227 5,229 12,230 1,234 13,239 3,242 9,243 2,247 13,250 1,252 3,255 7,256 3,258 2,259 12,260 1,264 4,267 6,268 3,270 3888,271 27.405,272 27.405,273 27.405,274 27.405,275 27.405,276 24.942,277 15.819,278 16.742,279 27.745,280 21.19,281 21.19,282 21.19,283 21.19,284 21.19,285 17.453,286 12.236,287 7.921,288 21.615,289 4.842,290 2.707,291 1.476,292 0.809,293 0.592,294 0.592,295 4.413,300 1,301 1604,302 4.743,305 139.4,306 494.13,313 3.129,314 39.286,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 86.5,326 759,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.632,349 2.652,350 3.449,351 0.86,352 8.178,353 2.604,354 3.652,355 2.86,356 5.48,357 3.596,358 2.598,359 3.06,361 7.336,362 2.584,363 3.638,364 2.829,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.55,373 2.381,374 5.108,375 3.198,376 2.215,377 2.651,379 6.271,380 2.181,381 3.271,382 2.263,383 4.659,384 3.155,385 2.194,386 2.53,388 5.184,389 2.09,390 3.198,391 2.036,392 4.541,393 2.801,394 1.819,395 2.205,397 4.673,398 1.782,399 2.991,400 1.893,401 4.169,402 2.653,403 1.665,404 2.135,406 3.859,407 1.641,408 2.756,409 1.686,410 3.946,411 2.471,412 1.495,413 1.796,415 3.289,416 1.456,417 2.567,418 1.533,419 3.634,420 2.351,421 1.363,422 1.575,424 3.089,425 1.343,426 2.5,427 1.307,428 3.482,429 2.055,430 1.062,431 1.5,433 2.501,434 1.051,435 2.5,436 1.174,437 3.414,438 2,439 1,440 1.5,442 2.293,443 1,444 2.418,445 1.141,446 3.414,447 2,448 1,449 1.349,451 2.275,452 1,453 2.32,454 1,455 3.387,456 1.956,457 1,458 1.209,460 2.275,461 0.953,462 18.867,463 0.472,464 0.729,465 0.018,466 45.25,467 1.131,468 20.5,469 0.513,470 24.75,471 0.619,472 41.036,473 1.026,474 44.733,475 0.566,476 36.885,477 0.922,478 8.471,479 0.212,480 11.059,481 0.276,482 0.08,484 0.265,487 0.783,488 1.3,489 0.864,490 1.178,491 0.643,492 1.054,493 0.77,494 1.157,495 0.975,496 1.12,497 0.495,498 1.086,499 0.814,500 1.005,501 0.939,502 1.013,503 0.758,504 1.001,505 0.873,506 0.975,507 0.983,508 0.974,509 0.831,510 0.994,511 0.753,512 0.994,513 0.931,514 0.98,515 0.75,516 0.983,517 0.861,518 1.002,519 0.957,520 0.963,521 0.822,522 0.969,523 0.984,524 1.011,525 0.98,526 0.967,527 0.938,528 0.963,529 1.116,530 1.048,531 0.983,532 0.992,533 1.151,534 0.968,535 6.5,536 0.319,537 4,538 1.688,539 1.456,540 0.934,541 0.646,542 0.529,543 0.405,544 0.336,545 30940,546 76784,547 2.065,548 49.4,549 13,550 13,551 1,552 2,553 2,554 2,555 6,558 1.796,559 1.967,560 4.139,561 0.099,567 115.503,568 1.462,569 3.597,570 4.827,571 5.495,572 5.712,573 5.712,574 3.637,575 4.972,576 5.285,577 4.367,578 3406.01,579 9.308,580 65568.1,585 497.999,586 1.236,587 5.269,588 0.151,589 0.007,590 0.071,591 0.03,592 0.027,593 0.018,594 0.013,595 0.011,596 0.008,597 0.007,598 0.345,599 0.17,600 0.75,601 1.347,602 233.551,603 -0.033,604 -0.082,605 0.04,606 -0.023,607 -0.007,608 0.013,609 0.094,610 -0.041,611 -0.031,612 -0.048,613 0.156,614 -0.06,615 0.001,616 0.004,617 0.019,618 0.007,619 0.023,620 0.012,621 0.01,622 0.015,623 -0.011,624 0.023,625 -0.009,626 0.005,627 -0.031,628 -0.01,629 0.022,630 0.025,631 -0.043,632 0.03,633 -0.056,634 -0.006,635 0.011,636 0.019,637 -0.033,638 0.026,639 -0.079,640 0.005,641 0.001,642 0.01,643 -0.061,644 0.02,645 -0.059,646 -0.032,647 0.011,648 -0.005,649 -0.092,650 0.012,651 2.435,652 5.611,653 0.575,654 69.12,655 0.998,656 1.127,657 3.489,658 12.174,659 0.646,660 3.784,661 4.043,662 4.263,663 4.454,664 4.635,665 4.691,666 4.796,667 4.89,668 5.004,669 5.1,670 10.691,671 0.609,672 545.74,673 3.784,674 5.293,675 6.111,676 6.952,677 7.789,678 8.637,679 9.483,680 10.337,681 11.189,682 12.047,683 3.8,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 79,726 20,727 1,728 43,730 82,731 32,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 11,753 18,754 14,755 1,756 3,761 2,763 1,765 3,772 39,773 8,774 2,775 8,779 3,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,831 1,832 4,836 1,840 40,845 1,846 11,847 1,848 1,850 2,862 6.3,864 1,865 2,866 1,867 1,869 20.333,870 14.017,871 9.111,872 5.11,874 3.022,875 1.371,876 0.939,877 11.509,878 11.161,879 4.016,880 4.503,881 5.003,882 5.508,883 5.957,884 6.243,885 6.654,886 7.016,887 7.401,888 7.749,889 0.923,890 56,891 14.848,893 6.183,894 7.75,895 28.709,897 23.446,899 2.25,900 90,904 435.531,905 160.636,906 51.582,908 113.48,911 160.636,912 549.011,913 51.582,914 10.883,915 45.462,916 78.073,917 171.721,918 43.101,919 11.771,920 400.217,922 435.531,923 212.218,924 113.48,927 364.904,928 173.107,929 11,931 71.333,932 97.837,933 43.047,935 435.531,936 165.062,937 160.636,940 435.531,941 53.585,942 107.051,943 18.011,944 147.051,945 435.531,946 165.062,947 160.636,949 0.562,950 0.318,951 0.164,952 0.087,953 22,954 10,955 0.171,956 14,958 1,959 5.228,960 360.925,962 23,963 204.877,968 29.704,969 15.498,970 9.135,972 165.062,973 16.714,974 8.672,976 5.634,978 3.451,980 60.694,981 761.229,982 54.5,987 23.406,989 2.131,991 0.045,994 78.847,995 89.016,996 0.232,997 0.571,998 0.766,999 0.872,1000 0.906,1001 0.906,1002 5.227,1003 1.819,1004 6.052,1005 5.184,1006 4.727,1007 5.19,1008 2.586,1009 6.783,1010 4.693,1011 6.377,1012 1.665,1013 7.56,1014 4.673,1015 4.111,1016 4.758,1017 2.243,1018 7.554,1019 4.075,1020 7.642,1021 1.495,1022 9.169,1023 3.859,1024 6.24,1025 7.234,1026 3.72,1027 10.619,1028 6.181,1029 8.941,1030 1.363,1031 10.842,1032 3.289,1033 6.494,1034 7.692,1035 4.112,1036 12.274,1037 6.431,1038 10.277,1039 1.062,1040 12.558,1041 3.089,1042 8.026,1043 9.592,1044 5.221,1045 14.828,1046 7.946,1047 11.638,1048 1,1049 14.303,1050 2.501,1051 8.691,1052 10.478,1053 5.889,1054 16.842,1055 8.606,1056 13.018,1057 1,1058 16.071,1059 2.293,1060 9.969,1061 12.123,1062 6.852,1063 19.225,1064 9.871,1065 3.042,1066 1,1067 17.855,1068 2.275,1069 10.843,1070 13.234,1071 7.625,1072 21.393,1073 10.739,1074 2.941,1075 10.188,1076 19.651,1077 2.275,1078 12.008,1079 14.753,1080 8.526,1081 23.717,1082 11.893,1083 2.652,1084 9.413,1085 21.456,1086 4.063,1087 12.988,1088 15.986,1089 9.342,1090 25.955,1091 12.866,1092 2.598,1093 8.178,1094 23.27,1095 3.89,1096 14.104,1097 17.44,1098 10.216,1099 28.259,1100 13.973,1101 2.235,1102 7.336,1103 25.09,1104 3.449,1105 15.138,1106 18.74,1107 11.051,1108 30.53,1109 15,1110 2.215,1111 6.368,1112 26.916,1113 3.06,1114 16.236,1115 20.161,1116 11.912,1117 32.83,1118 16.089,1119 2.194,1120 6.271,1121 28.746,1122 2.71,1123 17.298,1124 21.498,1125 12.755,1126 35.116,1127 17.144,1128 29777,1129 47165,1130 29.008,1131 50.995,1132 63.046,1133 64.494,1134 63.79,1135 62.331,1136 62.386,1137 78.048,1138 8.518,1139 167.09,1140 61.22,1141 5.411,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 18.766,1151 1.466,1152 1.5,1153 1.483,1154 1.45,1155 1.451,1156 1.815,1157 0.198,1158 3.886,1159 1.424,1160 4.048,1161 4.072,1162 4.004,1163 3.971,1164 7.474,1165 3.972,1166 3.91,1167 3.958,1168 3.849,1169 3.8,1170 7.429,1171 3.788,1172 3.888,1173 3.915,1174 3.778,1175 3.757,1176 6.351,1177 3.77,1178 3.738,1179 3.781,1180 3.674,1181 3.596,1182 5.149,1183 3.612,1184 3.721,1185 3.764,1186 3.598,1187 3.575,1188 4.916,1189 3.574,1190 3.583,1191 3.641,1192 3.449,1193 3.41,1194 4.663,1195 3.406,1196 3.453,1197 3.487,1198 3.348,1199 3.292,1200 4.643,1201 3.297,1202 3.33,1203 3.387,1204 3.202,1205 3.072,1206 4.242,1207 3.09,1208 0.103,1209 0.084,1210 0.151,1211 0.094,1212 0.071,1213 4.411,1214 0.094,1215 3.596,1216 0.054,1217 6.502,1218 0.237,1219 4.036,1220 0.07,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.115,1229 2.055,1230 1.526,1231 2.073,1232 1.904,1233 1.855,1234 2.079,1235 2.049,1236 1.327,1237 2.063,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.184,1243 1.921,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 1.163,1249 1.899,1250 1.631,1251 1.577,1252 1.863,1253 1.855,1254 0.963,1255 1.854,1256 1.451,1257 1.415,1258 1.644,1259 1.66,1260 0.835,1261 1.646,1262 1.429,1263 1.395,1264 1.613,1265 1.632,1266 0.825,1267 1.628,1268 1.234,1269 1.174,1270 1.543,1271 1.523,1272 0.805,1273 1.536,1274 4.466,1276 5.74,1277 2.398,1278 7.197,1279 4.595,1280 8.736,1281 6.605,1282 10.321,1284 1.791,1289 8.875,1290 9.735,1291 2.968,1292 5.449,1294 1.13,1300 48.121,1301 115.503,1302 284.133,1303 381.369,1304 434.124,1305 451.244,1306 451.244,1307 94.746,1308 8.139,1309 114.55,1310 114.55,1311 23,1312 12.601,1313 4.392,1314 3.644,1315 73.683,1316 255,1317 292,1318 0.136,1319 296.315,1320 527.93,1321 714.767,1322 47619,1324 28.158,1325 0.704,1326 0.58,1327 28.158,1328 23.181,1329 19.529,1330 0.454,1331 0.331,1332 14.059,1333 18.83,1334 13.776,1335 11.447,1336 19.529,1337 14.229,1338 16.659,1339 0.297,1340 0.186,1341 16.659,1342 10.391,1343 13.547,1344 0.194,1345 0.108,1346 13.547,1347 7.547,1348 10.634,1349 0.125,1350 0.062,1351 10.634,1352 5.234,1353 8.271,1354 0.081,1355 0.036,1356 8.271,1357 3.646,1358 0.225,1359 122.293,1360 0.186,1361 37.245,1362 0.344,1363 198,1364 580.715,1365 216.337,1366 551.767,1367 738.48,1368 516,1369 225,1370 522.923,1371 241.929,1372 528.43,1373 763.21,1374 496,1375 7.542} {0 CHEMBL362418,1 1.471,2 15.297,3 6.779,4 45.952,5 143.612,6 7.333,7 0.537,8 4.305,9 4.413,10 3.858,11 3.889,12 5.397,13 3.858,14 4.853,15 5.011,16 4.207,17 4.294,18 5.953,19 4.236,20 5.152,21 5.363,22 4.252,23 4.441,24 6.104,25 4.35,26 5.203,27 5.429,28 4.247,29 4.463,30 6.106,31 4.362,32 5.221,33 5.432,34 4.283,35 4.498,36 6.191,37 4.391,38 5.296,39 5.527,40 4.287,41 4.517,42 6.265,43 4.405,44 5.279,45 5.514,46 4.198,47 4.424,48 6.327,49 4.314,50 5.162,51 5.404,52 4.106,53 4.241,54 6.256,55 4.152,56 0.022,57 0.969,58 13.817,59 6.734,60 10.716,61 8.455,62 0.214,63 1.626,64 26.045,65 11.358,66 47.435,67 14.74,68 0.348,69 2.103,70 38.376,71 15.308,72 63.146,73 20.11,74 0.346,75 2.188,76 40.687,77 15.788,78 48.941,79 21.299,80 0.521,81 2.209,82 41.096,83 16.735,84 55.475,85 22.279,86 0.336,87 2.349,88 45.413,89 18.395,90 68.734,91 24.338,92 0.465,93 2.332,94 45.985,95 17.652,96 96.043,97 22.728,98 0.504,99 2.019,100 41.962,101 15.27,102 87.808,103 19.553,104 12,105 56,106 0.23,107 0.584,108 0.799,109 0.913,110 0.913,111 0.913,112 3.642,113 0.943,114 -5.62,115 -5.49,116 -5.12,118 45.6,120 6,121 1,124 2,133 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 18,169 1,172 11,175 1,177 1,180 18,181 1,186 13,191 1,194 16,195 1,198 6,199 1,203 1,206 17,207 2,209 2,210 5,213 1,215 2,218 26,219 2,222 4,227 2,229 24,230 3,234 9,239 3,242 16,243 3,246 1,247 10,252 3,255 11,256 1,259 3,260 1,264 1,267 10,268 1,270 2953,271 25.413,272 25.413,273 25.413,274 25.413,275 25.413,276 22.371,277 24.49,278 15.49,279 25.768,280 20.352,281 20.352,282 20.352,283 20.352,284 20.352,285 15.736,286 25.521,287 7.477,288 20.954,289 4.616,290 2.348,291 0.964,292 0.235,293 0.235,294 0.235,295 4.352,300 1,301 1241,302 4,305 71.324,306 424.422,309 264.934,313 2.365,314 36.905,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.79,325 79.5,326 566,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.075,337 3.51,338 6.102,339 3.673,340 2.7,341 3.676,342 0.86,343 8.765,344 2.63,345 3.942,346 2.978,347 5.785,348 3.639,349 2.651,350 3.508,351 0.522,352 8.001,353 2.615,354 3.93,355 2.91,356 5.537,357 3.512,358 2.522,359 3.37,361 7.23,362 2.498,363 3.621,364 2.632,365 5.34,366 3.249,367 2.306,368 2.928,370 6.965,371 2.171,372 3.53,373 2.537,374 5.147,375 3.182,376 2.207,377 2.787,379 6.184,380 2.132,381 3.356,382 2.495,383 4.966,384 2.968,385 2.01,386 2.606,388 5.833,389 1.903,390 3.273,391 2.218,392 4.852,393 2.903,394 1.927,395 2.502,397 5.273,398 1.865,399 3.127,400 1.975,401 4.37,402 2.724,403 1.738,404 2.302,406 4.097,407 1.713,408 2.778,409 1.67,410 3.892,411 2.468,412 1.496,413 1.839,415 3.571,416 1.448,417 2.733,418 1.545,419 3.817,420 2.436,421 1.465,422 1.769,424 3.097,425 1.418,426 2.661,427 1.402,428 3.699,429 2.257,430 1.266,431 1.707,433 3.042,434 1.251,435 2.5,436 1.363,437 3.596,438 2.198,439 1.207,440 1.5,442 2.705,443 1.194,444 2.48,445 1.188,446 3.485,447 1.969,448 1,449 1.47,451 2.335,452 0.963,453 2.367,454 1.009,455 3.247,456 1.953,457 1,458 1.264,460 2.14,461 0.95,462 17.586,463 0.475,464 0.763,465 0.021,466 46.5,467 1.257,468 23.5,469 0.635,470 23,471 0.622,472 35.192,473 0.951,474 39.414,475 0.58,476 36.824,477 0.995,478 9.021,479 0.244,480 9.06,481 0.245,482 0.054,484 0.307,486 1,487 0.689,488 1.074,489 0.783,490 1.035,491 0.607,492 0.947,493 0.702,494 1.079,495 0.91,496 1.071,497 0.463,498 1.032,499 0.977,500 1.021,501 1.005,502 0.997,503 0.856,504 1.005,505 0.847,506 0.939,507 0.994,508 0.985,509 0.652,510 1,511 0.753,512 0.925,513 1.011,514 1.061,515 0.79,516 1.083,517 0.879,518 0.991,519 0.953,520 1.052,521 0.975,522 1.024,523 1.241,524 1.069,525 1.077,526 1.061,527 1.329,528 1.045,529 1.373,530 1.004,531 0.988,532 0.967,533 1.262,534 0.922,535 6,536 0.173,537 2.667,538 2.674,539 1.64,540 1.344,541 0.786,542 0.58,543 0.438,544 0.242,545 23579,546 61304,547 2.133,548 45.6,549 8,550 15,552 2,553 1,554 3,555 2,558 1.779,559 2.037,560 3.788,561 -0.445,567 100.032,568 1.471,569 3.74,570 5.124,571 5.852,572 5.852,573 5.852,574 3.212,575 4.831,576 5.172,577 4.059,578 2703.27,579 9.095,580 45904.9,585 413.947,586 1.241,587 5.159,588 0.146,589 0.005,590 0.048,591 0.047,592 0.029,593 0.024,594 0.014,595 0.012,596 0.01,597 0.007,598 0.341,599 0.17,600 0.63,601 0.716,602 206.603,603 -0.025,604 -0.054,605 0.043,606 0.006,607 -0.023,608 0.029,609 0.047,610 -0.085,611 -0.026,612 -0.064,613 0.134,614 -0.058,615 -0.091,616 -0.046,617 -0.053,618 -0.007,619 -0.077,620 -0.022,621 -0.067,622 0.004,623 -0.044,624 -0.012,625 -0.024,626 -0.018,627 0.074,628 -0.005,629 -0.067,630 -0.067,631 -0.019,632 -0.092,633 -0.019,634 -0.052,635 0.015,636 -0.051,637 -0.055,638 -0.018,639 -0.091,640 -0.045,641 -0.06,642 -0.07,643 -0.107,644 -0.059,645 -0.05,646 0.002,647 0.067,648 0.008,649 -0.018,650 0.051,651 2.466,652 6.158,653 0.676,654 51.17,655 0.999,656 1.12,657 4.386,658 19.235,659 0.673,660 3.738,661 4.043,662 4.317,663 4.654,664 4.942,665 5.075,666 5.263,667 5.442,668 5.501,669 5.565,670 8.913,671 0.639,672 498.64,673 3.738,674 5.273,675 6.12,676 7.004,677 7.881,678 8.782,679 9.677,680 10.59,681 11.498,682 12.418,683 2.9,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 68,726 24,727 2,728 41,730 72,731 31,733 19,734 5,735 7,736 2,739 5,740 8,748 3,749 1,751 6,753 22,754 9,755 1,756 2,761 1,763 2,765 1,770 1,772 31,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,818 1,822 2,830 1,832 3,838 1,840 37,845 1,846 8,848 1,850 1,861 1,862 4.4,864 1,865 1,867 1,869 18.167,870 11.993,871 8.167,872 4.315,874 4.72,875 1.546,876 0.986,877 8.01,878 13.367,879 4.007,880 4.598,881 5.181,882 5.817,883 6.386,884 6.702,885 7.141,886 7.572,887 7.815,888 8.098,889 0.9,890 57,891 13.77,893 5.929,894 7.766,895 26.521,897 22.274,899 2.266,900 83.833,904 353.133,905 176.544,906 18.685,908 78.828,909 14.96,911 176.544,912 431.961,913 33.645,915 21.905,916 104.239,917 109.066,918 57.488,919 19.861,920 329.591,922 353.133,923 195.228,924 93.788,927 344.551,928 102.37,931 41.899,932 117.591,933 35.738,935 368.093,936 97.513,937 176.544,940 353.133,941 54.21,942 124.233,944 110.574,945 353.133,946 112.473,947 176.544,949 0.569,950 0.319,951 0.187,952 0.111,953 26,954 11,955 0.139,956 10,957 2,958 1.16,959 4.842,960 355.967,961 0.16,962 25,963 192.75,968 25.231,969 11.747,970 6.112,971 1.854,972 110.574,973 20.493,974 4.115,978 4.84,979 2.194,980 42.683,981 642.15,982 54,987 11.607,989 4.201,991 -0.8,994 67.952,995 76.193,996 0.242,997 0.614,998 0.842,999 0.961,1000 0.961,1001 0.961,1002 5.234,1003 1.927,1004 6.084,1005 5.833,1006 4.727,1007 5.286,1008 2.45,1009 6.891,1010 4.672,1011 6.427,1012 1.738,1013 7.626,1014 5.273,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.724,1021 1.496,1022 9.274,1023 4.097,1024 6.293,1025 7.485,1026 3.661,1027 10.966,1028 6.187,1029 9.06,1030 1.465,1031 10.991,1032 3.571,1033 6.635,1034 8.13,1035 4.112,1036 12.826,1037 6.489,1038 10.433,1039 1.266,1040 12.757,1041 3.097,1042 8.173,1043 10.039,1044 5.206,1045 15.541,1046 8.016,1047 11.836,1048 1.207,1049 14.559,1050 3.042,1051 8.96,1052 11.144,1053 5.889,1054 17.817,1055 8.765,1056 13.264,1057 1,1058 16.39,1059 2.705,1060 10.275,1061 12.83,1062 6.849,1063 20.396,1064 10.062,1065 3.405,1066 1,1067 18.245,1068 2.335,1069 11.29,1070 14.171,1071 7.625,1072 22.834,1073 11.041,1074 2.7,1075 12.577,1076 20.12,1077 2.14,1078 12.524,1079 15.767,1080 8.526,1081 25.376,1082 12.252,1083 2.651,1084 8.765,1085 22.011,1086 4.744,1087 13.648,1088 17.224,1089 9.342,1090 27.874,1091 13.342,1092 2.522,1093 8.001,1094 23.915,1095 3.676,1096 14.86,1097 18.788,1098 10.216,1099 30.407,1100 14.527,1101 2.306,1102 7.23,1103 25.83,1104 3.508,1105 16.036,1106 20.298,1107 11.051,1108 32.926,1109 15.67,1110 2.207,1111 6.965,1112 27.755,1113 3.37,1114 17.246,1115 21.853,1116 11.912,1117 35.457,1118 16.851,1119 2.01,1120 6.184,1121 29.688,1122 2.928,1123 18.445,1124 23.387,1125 12.755,1126 37.984,1127 18.02,1128 22065,1129 35734,1130 28.027,1131 45.733,1132 61.132,1133 61.923,1134 61.508,1135 60.474,1136 60.387,1137 79.14,1138 7.445,1139 169.612,1140 58.621,1141 5.744,1142 5.655,1143 6.983,1144 5.433,1145 5.405,1146 7.744,1147 3.925,1148 20.111,1149 5.308,1150 14.735,1151 1.491,1152 1.51,1153 1.5,1154 1.475,1155 1.473,1156 1.93,1157 0.182,1158 4.137,1159 1.43,1160 4.195,1161 4.226,1162 4.161,1163 4.111,1164 8.201,1165 4.119,1166 3.919,1167 3.952,1168 3.853,1169 3.84,1170 7.474,1171 3.839,1172 3.882,1173 3.911,1174 3.821,1175 3.805,1176 6.351,1177 3.804,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.926,1183 3.629,1184 3.635,1185 3.693,1186 3.494,1187 3.506,1188 4.883,1189 3.495,1190 3.467,1191 3.492,1192 3.385,1193 3.263,1194 4.796,1195 3.278,1196 3.374,1197 3.434,1198 3.266,1199 3.197,1200 4.38,1201 3.206,1202 3.258,1203 3.315,1204 3.126,1205 3.103,1206 4.257,1207 3.098,1208 0.117,1209 0.089,1210 0.175,1211 0.107,1212 0.083,1213 4.794,1214 0.116,1215 3.655,1216 0.057,1217 7.157,1218 0.307,1219 4.376,1220 0.081,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.067,1230 1.45,1231 2.065,1232 1.934,1233 1.904,1234 2.05,1235 2.028,1236 1.243,1237 2.042,1238 1.877,1239 1.842,1240 2.01,1241 1.992,1242 1.217,1243 1.999,1244 1.827,1245 1.794,1246 1.949,1247 1.942,1248 1.091,1249 1.945,1250 1.64,1251 1.584,1252 1.863,1253 1.803,1254 0.98,1255 1.828,1256 1.4,1257 1.365,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.336,1263 1.276,1264 1.542,1265 1.546,1266 0.749,1267 1.548,1268 1.248,1269 1.19,1270 1.498,1271 1.442,1272 0.632,1273 1.463,1274 4.419,1276 5.727,1277 2.398,1278 7.229,1279 4.949,1280 8.831,1281 7.248,1282 10.493,1286 14.158,1289 9.529,1290 5.691,1292 6.025,1294 -0.073,1300 43.472,1301 100.032,1302 254.316,1303 348.399,1304 397.947,1305 397.947,1306 397.947,1307 74.249,1308 8.647,1309 64.35,1310 64.35,1311 29,1312 12.93,1313 4.644,1314 3.807,1315 57.039,1316 193,1317 241,1318 0.139,1319 262.813,1320 462.22,1321 633.023,1322 87064,1323 1.5,1324 25.614,1325 0.692,1326 0.562,1327 24.744,1328 20.776,1329 18.081,1330 0.441,1331 0.314,1332 12.758,1333 17.515,1334 12.517,1335 10.318,1336 17.687,1337 12.889,1338 16.101,1339 0.288,1340 0.172,1341 15.468,1342 9.625,1343 12.933,1344 0.175,1345 0.094,1346 12.591,1347 6.979,1348 11.446,1349 0.11,1350 0.052,1351 11.225,1352 5.389,1353 9.78,1354 0.07,1355 0.029,1356 9.499,1357 4.004,1358 0.225,1359 112.45,1360 0.189,1361 34.296,1362 0.365,1363 194,1364 575.022,1365 209.937,1366 531.535,1367 718.76,1368 498,1369 227,1370 519.088,1371 241.219,1372 520.471,1373 758.98,1374 492,1375 6.699} {0 CHEMBL38723,1 1.55,2 12.821,3 3.382,4 11.441,5 114.262,6 7.381,7 0.567,8 4.067,9 4.174,10 3.673,11 3.612,12 5.118,13 3.564,14 4.601,15 4.767,16 3.919,17 3.949,18 5.57,19 3.878,20 4.735,21 4.91,22 3.903,23 4.037,24 5.677,25 3.924,26 4.866,27 5.098,28 3.768,29 4,30 5.703,31 3.862,32 4.856,33 5.109,34 3.738,35 3.937,36 5.666,37 3.812,38 4.761,39 4.992,40 3.779,41 3.93,42 5.621,43 3.809,44 4.763,45 4.997,46 3.769,47 3.955,48 5.616,49 3.838,50 4.803,51 5.047,52 3.803,53 3.994,54 5.655,55 3.867,56 0.011,57 0.736,58 12.149,59 5.484,60 9.78,61 6.809,62 0.32,63 1.165,64 25.552,65 8.973,66 27.116,67 10.689,68 0.37,69 1.286,70 27.628,71 10.671,72 31.726,73 13.302,74 0.349,75 1.388,76 32.56,77 11.75,78 37.358,79 15.266,80 0.397,81 1.334,82 31.553,83 11.12,84 38.379,85 14.838,86 0.421,87 1.282,88 29.906,89 10.422,90 35.25,91 13.776,92 0.224,93 1.302,94 27.293,95 10.179,96 29.985,97 13.815,98 0.389,99 1.352,100 30.944,101 10.658,102 36.563,103 14.002,104 9,105 38,106 0.258,107 0.567,108 0.768,109 0.823,110 0.854,111 0.854,112 3.374,113 1.04,114 -4,115 -3.95,116 -3.74,118 40.7,123 2,124 4,126 1,140 8,141 2,142 2,143 1,149 1,156 1,168 8,171 1,172 4,180 10,185 2,186 6,194 6,197 1,198 5,206 1,209 1,210 3,221 2,222 8,234 9,242 1,247 5,255 4,258 1,259 6,267 8,270 1610,271 19.463,272 19.463,273 19.463,274 19.463,275 19.463,276 17.395,277 22.234,278 11.857,279 20.347,280 14.704,281 14.704,282 14.704,283 14.704,284 14.704,285 11.616,286 23.439,287 5.527,288 15.858,289 4.205,290 2.346,291 1.139,292 0.806,293 0.621,294 0.621,295 4.06,299 1,300 1,301 758,302 3.674,305 96.217,306 224.317,313 1.776,314 16.885,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 60,326 359,327 4.04,328 4.327,329 5.598,330 3.653,331 2.712,332 3.635,333 2.95,334 7.736,335 2.583,336 4.034,337 3.061,338 5.48,339 3.621,340 2.649,341 3.634,342 1.151,343 7.337,344 2.569,345 3.953,346 2.924,347 5.47,348 3.559,349 2.618,350 3.49,351 1.151,352 7.315,353 2.438,354 3.522,355 2.736,356 5.137,357 3.202,358 2.294,359 2.778,360 0.86,361 6.362,362 2.081,363 3.482,364 2.656,365 5.108,366 3.131,367 2.194,368 2.764,370 6.27,371 2.037,372 3.318,373 2.502,374 4.999,375 3.034,376 2.097,377 2.393,379 5.985,380 1.942,381 2.583,382 2.369,383 3.507,384 2.142,385 1.252,386 1.612,388 2.712,389 1.112,390 2.5,391 1.853,392 3.423,393 2,394 1.133,395 1.5,397 2.492,398 1,399 2.5,400 1.363,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.262,409 1.184,410 3.414,411 1.999,412 1,413 1.249,415 2.275,416 0.97,417 2.118,418 1.06,419 3.126,420 1.615,421 0.742,422 0.927,424 1.573,425 0.635,426 1.873,427 1,428 3,429 1.554,430 0.618,431 0.815,433 1.372,434 0.577,435 1.679,436 1,437 2.802,438 1.403,439 0.546,440 0.6,442 0.881,443 0.461,444 1.514,445 0.669,446 2.686,447 1.213,448 0.39,449 0.428,451 0.64,452 0.316,453 1.083,454 0.618,455 2.517,456 0.86,457 -0.057,458 -0.063,460 -0.121,461 -0.052,462 13.633,463 0.487,464 0.409,465 0.015,466 34.75,467 1.241,468 17,469 0.607,470 17.75,471 0.634,472 22.904,473 0.818,474 30.767,475 0.57,476 24.251,477 0.866,478 7.056,479 0.252,480 6.706,481 0.24,482 0.073,484 0.213,487 0.884,488 1.348,489 0.786,490 1.11,491 0.867,492 1.03,493 1.651,494 0.904,495 1.194,496 0.95,497 1.394,498 0.896,499 1.15,500 1.141,501 1.131,502 1.168,503 1.076,504 1.198,505 1.171,506 1.038,507 0.995,508 1.042,509 1.14,510 1.08,511 1.224,512 0.864,513 0.76,514 0.785,515 1.131,516 0.878,517 0.911,518 1.025,519 0.912,520 1.007,521 0.867,522 1,523 0.978,524 1.065,525 0.776,526 0.91,527 0.903,528 0.992,529 1.268,530 0.813,531 0.898,532 0.726,533 1.192,534 0.813,535 5,536 0.111,537 2,538 0.722,539 0.879,540 0.577,541 0.293,542 0.24,543 0.224,544 0.177,545 10779,546 28506,547 2.076,548 48.1,550 23,551 1,552 2,558 1.711,559 2,560 3.618,561 -0.778,562 1,563 1,567 83.69,568 1.55,569 3.409,570 4.616,571 4.949,572 5.134,573 5.134,574 3.057,575 4.379,576 4.776,577 3.786,578 1430.98,579 8.311,580 20420.5,582 1,584 1,585 310.764,586 1.095,587 4.765,588 0.167,589 0.004,590 0.053,591 0.021,592 0.029,593 0.019,594 0.009,595 0.007,596 0.007,597 0.006,598 0.322,599 0.33,600 0.88,601 0.716,602 144.079,603 0.008,604 -0.215,605 0.086,606 -0.082,607 -0.002,608 -0.034,609 -0.232,610 0.179,611 -0.12,612 0.085,613 -0.196,614 0.053,615 0.026,616 -0.129,617 -0.181,618 -0.173,619 -0.022,620 -0.225,621 -0.046,622 -0.099,623 -0.087,624 -0.118,625 -0.078,626 -0.117,627 -0.034,628 0.036,629 0.074,630 0.069,631 -0.027,632 0.071,633 0.134,634 -0.058,635 0.005,636 -0.076,637 0.13,638 -0.034,639 -0.045,640 -0.103,641 0.019,642 -0.044,643 0.025,644 -0.031,645 -0.172,646 0.161,647 0.026,648 0.191,649 -0.14,650 0.143,651 1.396,652 2.649,653 0.607,654 29.714,655 0.998,656 1.121,657 2.769,658 7.667,659 0.67,660 3.434,661 3.664,662 3.85,663 3.989,664 4.111,665 4.094,666 4.094,667 4.111,668 4.234,669 4.317,670 7.484,671 0.624,672 398.57,673 3.434,674 4.92,675 5.72,676 6.538,677 7.349,678 8.169,679 8.984,680 9.804,681 10.62,682 11.44,683 3.7,691 1,693 1,699 11,700 1,704 4,705 1,706 17,722 1,724 54,726 17,727 2,728 30,730 56,731 22,733 15,734 4,735 8,739 3,740 3,751 1,753 15,754 7,769 1,772 26,773 4,775 6,776 1,778 1,779 2,784 1,785 3,801 1,802 2,831 2,832 3,833 1,834 1,836 2,840 28,846 4,848 3,849 1,850 1,862 5.6,866 2,867 1,869 14,870 10.067,871 6.5,872 2.894,874 2.02,875 1.295,876 0.947,877 8.274,878 8.87,879 3.676,880 4.178,881 4.653,882 5.096,883 5.434,884 5.347,885 5.357,886 5.376,887 5.661,888 5.973,889 0.889,890 35,891 10.321,893 4.118,894 7.548,895 20.049,897 15.613,899 2.048,900 57.333,902 1,903 1,904 306.049,905 181.865,906 18.685,908 33,910 32.22,911 149.645,912 339.048,913 18.685,914 18.073,915 15.883,916 84.857,917 70.946,918 35.112,919 11.771,920 302.955,922 306.049,923 168.33,924 33,925 32.22,927 306.049,928 11,929 22,931 35.448,932 116.096,933 16.786,934 32.22,935 306.049,936 51.684,937 181.865,940 306.049,941 61.268,942 122.496,944 49.785,945 306.049,946 51.684,947 181.865,949 0.556,950 0.319,951 0.159,952 0.081,953 15,954 6,955 0.196,956 11,958 1,959 4.204,960 217.136,962 17,963 123.851,964 1,968 20.778,969 11.15,970 6.872,972 49.785,973 21.874,974 4.109,978 4.359,979 2.012,981 539.597,982 38.5,994 53.865,995 60.527,996 0.269,997 0.592,998 0.802,999 0.86,1000 0.892,1001 0.892,1002 4.854,1003 1.133,1004 5.638,1005 2.712,1006 4.344,1007 4.864,1008 3.226,1009 6.304,1010 4.209,1011 5.995,1012 1,1013 7.104,1014 2.492,1015 3.611,1016 4.311,1018 6.88,1019 3.44,1020 7.242,1021 1,1022 8.657,1023 2.275,1024 5.808,1025 6.915,1026 5.079,1027 9.852,1028 5.566,1029 8.522,1030 0.742,1031 10.259,1032 2.275,1033 5.916,1034 7.205,1036 11.207,1037 5.62,1038 9.831,1039 0.618,1040 11.892,1041 1.573,1042 7.482,1043 9.201,1044 7.192,1045 13.616,1046 7.145,1047 11.157,1048 0.546,1049 13.544,1050 1.372,1051 7.982,1052 9.885,1054 15.295,1055 7.583,1056 12.495,1057 0.39,1058 15.207,1059 0.881,1060 9.262,1061 11.6,1062 9.349,1063 17.486,1064 8.835,1065 2.712,1066 -0.057,1067 16.878,1068 0.64,1069 9.97,1070 12.503,1072 19.323,1073 9.48,1074 2.649,1075 7.736,1076 18.555,1077 -0.121,1078 11.108,1079 14.062,1080 11.511,1081 21.418,1082 10.593,1083 2.618,1084 7.337,1085 20.236,1086 3.635,1087 11.932,1088 15.097,1090 23.338,1091 11.357,1092 2.294,1093 7.315,1094 21.919,1095 3.634,1096 12.995,1097 16.561,1098 13.675,1099 25.389,1100 12.394,1101 2.194,1102 6.362,1103 23.605,1104 3.49,1105 13.885,1106 17.68,1108 27.353,1109 13.227,1110 2.097,1111 6.27,1112 25.293,1113 2.778,1114 14.908,1115 19.084,1116 15.838,1117 29.385,1118 14.222,1119 1.252,1120 5.985,1121 26.983,1122 2.764,1123 15.837,1124 20.257,1126 31.374,1127 15.097,1128 10452,1129 17099,1130 20.455,1131 36.159,1132 42.824,1133 45.823,1134 43.394,1135 42.395,1136 42.49,1137 54.648,1138 12.223,1139 110.452,1140 39.441,1141 4.97,1142 6.327,1143 5.214,1144 4.741,1145 4.712,1146 6.635,1147 5.9,1148 13.289,1149 4.583,1150 10.557,1151 1.427,1152 1.527,1153 1.446,1154 1.413,1155 1.416,1156 1.822,1157 0.407,1158 3.682,1159 1.315,1160 3.976,1161 4.023,1162 4.009,1163 3.894,1164 4.964,1165 3.878,1166 3.905,1167 3.938,1168 3.884,1169 3.844,1170 4.878,1171 3.837,1172 3.89,1173 3.92,1174 3.842,1175 3.713,1176 4.761,1177 3.739,1178 3.564,1179 3.599,1180 3.559,1181 3.364,1182 4.601,1183 3.372,1184 3.325,1185 3.368,1186 3.409,1187 3.23,1188 4.413,1189 3.144,1190 3.247,1191 3.308,1192 3.166,1193 3.067,1194 4.242,1195 3.069,1196 3.094,1197 3.168,1198 2.91,1199 2.846,1200 3.893,1201 2.829,1202 2.995,1203 3.082,1204 2.8,1205 2.807,1206 3.68,1207 2.781,1208 0.135,1209 0.144,1210 0.187,1211 0.122,1212 0.09,1213 4.04,1214 0.121,1215 4.327,1216 0.098,1217 5.598,1218 0.258,1219 3.653,1220 0.086,1221 2.712,1222 3.635,1223 2.95,1224 7.736,1225 2.583,1226 1.907,1227 1.887,1228 2.018,1229 2.012,1230 1.208,1231 2.014,1232 1.898,1233 1.877,1234 2.002,1235 1.981,1236 1.142,1237 1.994,1238 1.682,1239 1.629,1240 1.863,1241 1.893,1242 1.116,1243 1.89,1244 1.368,1245 1.319,1246 1.597,1247 1.625,1248 0.718,1249 1.612,1250 1.282,1251 1.232,1252 1.552,1253 1.53,1254 0.693,1255 1.542,1256 1.275,1257 1.217,1258 1.525,1259 1.513,1260 0.607,1261 1.512,1262 1.198,1263 1.128,1264 1.453,1265 1.432,1266 0.533,1267 1.492,1268 1.062,1269 0.983,1270 1.386,1271 1.336,1272 0.511,1273 1.359,1274 4.111,1276 5.361,1277 2.398,1278 6.79,1279 4.443,1280 8.293,1281 6.26,1282 9.834,1284 3.741,1290 2.3,1292 17.264,1293 1.737,1294 -0.062,1300 33.696,1301 83.69,1302 184.107,1303 249.254,1304 267.254,1305 277.254,1306 277.254,1307 41.742,1308 6.85,1309 45.51,1310 70.81,1311 17,1312 12.022,1313 4.17,1314 3.248,1315 49.625,1316 118,1317 140,1318 0.186,1319 212.911,1320 365.14,1321 511.262,1322 8207,1324 19.606,1325 0.7,1326 0.611,1327 19.96,1328 17.101,1329 13.763,1330 0.459,1331 0.347,1332 9.121,1333 12.653,1334 8.701,1335 7.269,1336 14.32,1337 10.4,1338 11.35,1339 0.299,1340 0.192,1341 11.843,1342 7.283,1343 9.437,1344 0.205,1345 0.111,1346 9.929,1347 5.093,1348 7.121,1349 0.134,1350 0.06,1351 7.443,1352 3.157,1353 5.216,1354 0.087,1355 0.034,1356 5.501,1357 2.054,1358 0.3,1359 92.289,1360 0.221,1361 27.434,1362 0.491,1363 136,1364 409.357,1365 167.767,1366 404.373,1367 542.64,1368 384,1369 152,1370 362.371,1371 179.353,1372 383.07,1373 545.62,1374 353,1375 5.194} {0 CHEMBL38825,1 1.544,2 12.966,3 2.445,4 5.978,5 108.114,6 7.481,7 0.548,8 4.066,9 4.165,10 3.625,11 3.546,12 5.219,13 3.548,14 4.586,15 4.737,16 3.908,17 3.887,18 5.754,19 3.871,20 4.756,21 4.926,22 3.896,23 3.99,24 5.825,25 3.925,26 4.885,27 5.109,28 3.798,29 3.946,30 5.878,31 3.857,32 4.835,33 5.074,34 3.736,35 3.879,36 5.758,37 3.792,38 4.726,39 4.947,40 3.755,41 3.885,42 5.65,43 3.796,44 4.791,45 5.016,46 3.784,47 3.926,48 5.806,49 3.835,50 4.765,51 5,52 3.756,53 3.946,54 5.665,55 3.853,56 0.075,57 0.713,58 10.781,59 4.987,60 12.396,61 6.095,62 0.494,63 1.097,64 21.022,65 7.663,66 51.517,67 9.464,68 0.478,69 1.249,70 25.094,71 9.792,72 41.168,73 12.521,74 0.569,75 1.321,76 31.203,77 10.627,78 62.346,79 14.216,80 0.614,81 1.243,82 30.523,83 9.964,84 60.513,85 13.501,86 0.476,87 1.202,88 25.717,89 9.259,90 40.917,91 12.73,92 0.626,93 1.27,94 28.048,95 9.642,96 65.665,97 13.287,98 0.468,99 1.273,100 27.267,101 9.436,102 43.777,103 13.097,104 14,105 40,106 0.257,107 0.604,108 0.775,109 0.831,110 0.863,111 0.863,112 3.407,113 0.894,114 -3.2,115 -3.2,116 -3.07,118 41.5,123 1,124 4,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 10,169 1,171 1,172 5,175 1,177 1,180 10,181 2,185 2,186 8,191 2,194 5,195 2,197 1,198 7,203 2,207 1,209 1,210 5,215 1,221 2,222 7,223 1,233 1,234 9,237 1,242 1,247 7,255 4,258 1,259 4,260 2,267 8,270 1768,271 19.8,272 19.8,273 19.8,274 19.8,275 19.8,276 17.588,277 22.182,278 11.994,279 20.401,280 15.244,281 15.244,282 15.244,283 15.244,284 15.244,285 11.957,286 23.734,287 5.646,288 16.099,289 4.184,290 2.096,291 1.071,292 0.731,293 0.543,294 0.543,295 4.091,299 1,300 1,301 791,302 3.937,305 100.635,306 233.787,313 1.834,314 29.17,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 64,326 376,327 4.166,328 3.576,329 5.929,330 3.787,331 2.79,332 3.756,333 1.437,334 8.23,335 2.776,336 4.035,337 3.061,338 5.592,339 3.633,340 2.686,341 3.635,342 1.151,343 7.721,344 2.582,345 3.957,346 2.923,347 5.479,348 3.59,349 2.641,350 3.49,351 1.151,352 7.335,353 2.46,354 3.707,355 2.727,356 5.302,357 3.357,358 2.387,359 3.04,360 0.86,361 6.806,362 2.321,363 3.492,364 2.654,365 5.112,366 3.166,367 2.233,368 2.767,370 6.283,371 2.071,372 3.346,373 2.421,374 5.018,375 3.083,376 2.141,377 2.407,379 6.043,380 1.996,381 2.785,382 1.993,383 3.799,384 2.297,385 1.312,386 1.792,388 3.017,389 1.273,390 2.581,391 1.808,392 3.505,393 2.142,394 1.248,395 1.608,397 2.709,398 1.112,399 2.5,400 1.32,401 3.414,402 2,403 1.097,404 1.5,406 2.443,407 1,408 2.5,409 1.166,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.252,418 1,419 3.403,420 1.977,421 1,422 1.234,424 2.275,425 0.953,426 2.118,427 1,428 3.066,429 1.554,430 0.626,431 0.927,433 1.381,434 0.577,435 1.769,436 0.966,437 3,438 1.519,439 0.618,440 0.692,442 1.372,443 0.551,444 1.633,445 0.618,446 2.788,447 1.368,448 0.489,449 0.543,451 0.839,452 0.425,453 1.087,454 0.478,455 2.524,456 0.862,457 -0.055,458 -0.061,460 -0.118,461 -0.05,462 13.467,463 0.464,464 0.537,465 0.019,466 36.75,467 1.267,468 18,469 0.621,470 18.75,471 0.647,472 21.973,473 0.758,474 32.133,475 0.606,476 28.213,477 0.973,478 7.916,479 0.273,480 6.22,481 0.214,482 0.087,484 0.252,487 0.865,488 1.395,489 0.783,490 1.217,491 0.757,492 1.022,493 1.242,494 0.917,495 1.028,496 0.894,497 0.67,498 0.903,499 0.973,500 1.184,501 1.115,502 1.249,503 0.74,504 1.223,505 1.103,506 1.03,507 1.059,508 1.081,509 0.943,510 1.066,511 1.129,512 0.879,513 0.976,514 0.887,515 0.88,516 0.899,517 0.736,518 1.077,519 0.939,520 1.076,521 0.468,522 1.054,523 0.825,524 1.024,525 0.97,526 0.979,527 0.721,528 1,529 0.877,530 0.902,531 0.937,532 0.839,533 0.546,534 0.884,535 5.5,536 0.16,537 2.444,538 0.972,539 0.919,540 0.695,541 0.334,542 0.24,543 0.273,544 0.197,545 11802,546 35670,547 2.053,548 45.3,550 20,551 1,552 2,553 1,558 1.72,559 1.955,560 3.636,561 -0.336,562 1,563 1,567 81.824,568 1.544,569 3.632,570 4.657,571 4.997,572 5.185,573 5.185,574 3.073,575 4.073,576 4.827,577 3.829,578 1554.44,579 8.412,580 22804.1,582 1,584 1,585 303.58,586 1.233,587 4.804,588 0.177,589 0.006,590 0.061,591 0.026,592 0.029,593 0.022,594 0.01,595 0.007,596 0.008,597 0.006,598 0.353,599 0.33,600 0.88,601 0.772,602 151.064,603 -0.055,604 -0.223,605 0.049,606 -0.118,607 -0.072,608 -0.032,609 -0.117,610 0.176,611 -0.084,612 0.109,613 0.081,614 0.038,615 -0.009,616 -0.161,617 -0.184,618 -0.222,619 0.004,620 -0.238,621 -0.08,622 -0.091,623 -0.058,624 -0.109,625 -0.04,626 -0.083,627 -0.087,628 0.043,629 0.046,630 0.072,631 -0.063,632 0.084,633 0.079,634 -0.083,635 0.016,636 -0.084,637 0.052,638 -0.053,639 0.063,640 -0.042,641 0.005,642 -0.001,643 0.056,644 -0.009,645 -0.099,646 0.102,647 0.023,648 0.142,649 -0.043,650 0.116,651 2.609,652 3.964,653 0.586,654 31.479,655 1.011,656 1.125,657 1.974,658 3.897,659 0.654,660 3.466,661 3.714,662 3.892,663 4.025,664 4.143,665 4.159,666 4.159,667 4.143,668 4.29,669 4.369,670 7.698,671 0.63,672 396.48,673 3.466,674 4.963,675 5.765,676 6.589,677 7.403,678 8.228,679 9.046,680 9.871,681 10.69,682 11.515,683 3.8,691 1,693 1,699 11,700 1,704 4,705 1,706 17,714 1,722 1,724 53,726 18,727 2,728 31,730 55,731 22,733 15,734 4,735 8,736 1,739 3,740 3,751 1,753 16,754 6,756 1,761 1,765 1,769 1,772 24,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 2,830 1,831 2,832 3,836 1,840 29,845 1,846 4,848 3,850 1,862 9.4,864 1,865 1,866 2,867 1,869 14.833,870 9.517,871 6.611,872 2.84,874 2.104,875 1.304,876 0.928,877 7.817,878 9.032,879 3.726,880 4.238,881 4.708,882 5.149,883 5.491,884 5.496,885 5.545,886 5.437,887 5.75,888 6.039,889 0.889,890 37,891 10.685,893 4.37,894 7.851,895 20.165,897 15.728,899 2.351,900 68.167,903 1,904 270.735,905 144.999,906 18.685,908 100.828,911 144.999,912 371.563,913 18.685,914 10.883,915 15.883,916 84.857,917 139.684,918 36.747,919 11.771,920 235.422,922 270.735,923 163.684,924 100.828,927 270.735,928 78.828,929 22,931 35.448,932 111.45,933 16.786,935 270.735,936 119.513,937 144.999,940 270.735,941 31.593,942 115.306,944 117.613,945 270.735,946 119.513,947 144.999,949 0.565,950 0.318,951 0.156,952 0.078,953 16,954 7,955 0.2,956 11,958 1,959 4.258,960 228.667,962 17,963 132.881,968 21.056,969 10.765,970 6.714,972 117.613,973 19.744,974 4.063,978 3.021,979 1.939,980 42.683,981 535.247,982 40.5,987 10.964,991 -0.942,994 53.56,995 59.611,996 0.27,997 0.634,998 0.813,999 0.872,1000 0.905,1001 0.905,1002 4.914,1003 1.248,1004 5.7,1005 3.017,1006 4.394,1007 4.924,1008 2.477,1009 6.385,1010 4.297,1011 6.072,1012 1.097,1013 7.183,1014 2.709,1015 3.761,1016 4.46,1018 7.024,1019 3.657,1020 7.33,1021 1,1022 8.756,1023 2.443,1024 5.878,1025 6.984,1026 2.87,1027 9.997,1028 5.706,1029 8.62,1030 1,1031 10.382,1032 2.275,1033 6.066,1034 7.347,1036 11.422,1037 5.884,1038 9.939,1039 0.626,1040 12.04,1041 2.275,1042 7.586,1043 9.29,1044 3.356,1045 13.848,1046 7.357,1047 11.276,1048 0.618,1049 13.718,1050 1.381,1051 8.153,1052 10.038,1054 15.6,1055 7.911,1056 12.626,1057 0.489,1058 15.411,1059 1.372,1060 9.409,1061 11.716,1062 3.916,1063 17.818,1064 9.133,1065 2.79,1066 -0.055,1067 17.114,1068 0.839,1069 10.171,1070 12.673,1072 19.727,1073 9.881,1074 2.686,1075 8.23,1076 18.823,1077 -0.118,1078 11.298,1079 14.206,1080 4.529,1081 21.858,1082 10.984,1083 2.641,1084 7.721,1085 20.539,1086 3.756,1087 12.166,1088 15.288,1090 23.847,1091 11.839,1092 2.387,1093 7.335,1094 22.259,1095 3.635,1096 13.229,1097 16.737,1098 5.179,1099 25.942,1100 12.883,1101 2.233,1102 6.806,1103 23.983,1104 3.49,1105 14.155,1106 17.897,1108 27.973,1109 13.798,1110 2.141,1111 6.283,1112 25.71,1113 3.04,1114 15.187,1115 19.293,1116 5.855,1117 30.056,1118 14.816,1119 1.312,1120 6.043,1121 27.441,1122 2.767,1123 16.146,1124 20.503,1126 32.11,1127 15.766,1128 11481,1129 20084,1130 20.86,1131 34.659,1132 45.102,1133 45.741,1134 45.385,1135 44.481,1136 44.535,1137 57.784,1138 9.197,1139 117.458,1140 42.195,1141 5.096,1142 5.576,1143 5.546,1144 4.873,1145 4.79,1146 6.756,1147 2.873,1148 13.812,1149 4.776,1150 13.082,1151 1.455,1152 1.476,1153 1.464,1154 1.435,1155 1.437,1156 1.864,1157 0.297,1158 3.789,1159 1.361,1160 3.983,1161 4.026,1162 3.919,1163 3.887,1164 7.475,1165 3.887,1166 3.913,1167 3.946,1168 3.854,1169 3.842,1170 6.351,1171 3.841,1172 3.9,1173 3.933,1174 3.841,1175 3.712,1176 4.963,1177 3.74,1178 3.572,1179 3.604,1180 3.471,1181 3.357,1182 4.877,1183 3.376,1184 3.362,1185 3.38,1186 3.286,1187 3.137,1188 4.744,1189 3.164,1190 3.284,1191 3.32,1192 3.153,1193 3.056,1194 4.593,1195 3.069,1196 3.088,1197 3.153,1198 2.893,1199 2.824,1200 4.404,1201 2.817,1202 2.938,1203 2.984,1204 2.768,1205 2.735,1206 4.238,1207 2.715,1208 0.134,1209 0.115,1210 0.191,1211 0.122,1212 0.09,1213 4.166,1214 0.121,1215 3.576,1216 0.046,1217 5.929,1218 0.265,1219 3.787,1220 0.09,1221 2.79,1222 3.756,1223 1.437,1224 8.23,1225 2.776,1226 1.921,1227 1.901,1228 2.03,1229 2.023,1230 1.208,1231 2.023,1232 1.899,1233 1.878,1234 2.014,1235 1.997,1236 1.141,1237 2.003,1238 1.683,1239 1.63,1240 1.866,1241 1.903,1242 1.115,1243 1.894,1244 1.369,1245 1.321,1246 1.597,1247 1.629,1248 0.702,1249 1.613,1250 1.282,1251 1.235,1252 1.552,1253 1.544,1254 0.628,1255 1.542,1256 1.261,1257 1.217,1258 1.454,1259 1.523,1260 0.592,1261 1.506,1262 1.181,1263 1.119,1264 1.441,1265 1.466,1266 0.516,1267 1.452,1268 1.019,1269 0.946,1270 1.315,1271 1.294,1272 0.402,1273 1.29,1274 4.143,1276 5.407,1277 2.398,1278 6.845,1279 4.443,1280 8.356,1281 6.26,1282 9.905,1284 1.638,1289 8.994,1290 1.861,1292 17.064,1294 -0.179,1300 33.412,1301 81.824,1302 192.506,1303 246.825,1304 264.825,1305 274.825,1306 274.825,1307 54.059,1308 6.928,1309 82.81,1310 82.81,1311 17,1312 12.093,1313 4.248,1314 3.392,1315 52.416,1316 126,1317 149,1318 0.185,1319 206.845,1320 361.57,1321 496.462,1322 9058,1324 20.476,1325 0.706,1326 0.56,1327 20.476,1328 16.231,1329 14.135,1330 0.456,1331 0.298,1332 9.05,1333 13.401,1334 8.831,1335 7.338,1336 14.135,1337 9.241,1338 12.08,1339 0.302,1340 0.164,1341 12.08,1342 6.558,1343 9.727,1344 0.203,1345 0.091,1346 9.727,1347 4.392,1348 7.336,1349 0.133,1350 0.05,1351 7.336,1352 2.771,1353 5.304,1354 0.086,1355 0.028,1356 5.304,1357 1.766,1358 0.298,1359 90.103,1360 0.219,1361 28.249,1362 0.485,1363 142,1364 486.382,1365 159.253,1366 452.28,1367 596.16,1368 424,1369 159,1370 407.324,1371 176.313,1372 414.052,1373 592.34,1374 383,1375 5.567} {0 CHEMBL38988,1 1.488,2 14.406,3 3.422,4 11.712,5 122.049,6 7.074,7 0.5,8 4.205,9 4.312,10 3.722,11 3.68,12 5.288,13 3.667,14 4.753,15 4.921,16 4.012,17 4.014,18 5.81,19 3.987,20 4.926,21 5.108,22 4.001,23 4.12,24 5.938,25 4.048,26 5.029,27 5.26,28 3.949,29 4.094,30 6.006,31 4.005,32 4.977,33 5.2,34 3.897,35 4.063,36 5.945,37 3.979,38 4.911,39 5.128,40 3.898,41 4.109,42 5.816,43 3.999,44 5.017,45 5.265,46 3.88,47 4.124,48 5.922,49 3.997,50 4.918,51 5.169,52 3.846,53 4.075,54 5.758,55 3.965,56 0.019,57 0.827,58 13.54,59 5.986,60 11.004,61 7.694,62 0.478,63 1.268,64 26.35,65 9.202,66 42.881,67 11.987,68 0.528,69 1.439,70 31.58,71 11.454,72 48.714,73 15.059,74 0.519,75 1.51,76 36.377,77 12.239,78 63.75,79 16.748,80 0.623,81 1.435,82 34.786,83 11.442,84 69.339,85 15.427,86 0.406,87 1.47,88 30.862,89 11.574,90 41.168,91 16.132,92 0.603,93 1.565,94 35.684,95 12.364,96 62.532,97 17.688,98 0.402,99 1.459,100 32.047,101 11.137,102 41.34,103 15.945,104 23,105 44,106 0.24,107 0.558,108 0.762,109 0.814,110 0.84,111 0.84,112 3.501,113 0.936,114 -3.84,115 -3.8,116 -3.61,118 40.3,119 2,123 1,124 4,126 2,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 8,180 11,185 2,186 10,194 5,197 1,198 11,206 2,209 1,210 6,218 4,221 2,222 7,229 4,233 2,234 9,242 3,247 7,255 4,258 1,259 6,267 8,270 2284,271 21.662,272 21.662,273 21.662,274 21.662,275 21.662,276 19.502,277 25.326,278 13.147,279 22.392,280 16.737,281 16.737,282 16.737,283 16.737,284 16.737,285 13.475,286 27.67,287 6.216,288 17.769,289 4.466,290 2.496,291 1.23,292 0.907,293 0.746,294 0.746,295 4.184,299 1,300 1,301 962,302 4.416,305 114.075,306 263.471,313 2.207,314 29.104,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 70,326 461,327 4.195,328 3.678,329 6.047,330 3.83,331 2.843,332 3.769,333 1.674,334 8.663,335 2.802,336 4.035,337 3.062,338 5.593,339 3.634,340 2.692,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.924,347 5.479,348 3.593,349 2.642,350 3.49,351 1.151,352 7.335,353 2.464,354 3.747,355 2.732,356 5.321,357 3.401,358 2.438,359 3.08,360 0.86,361 6.893,362 2.349,363 3.493,364 2.655,365 5.112,366 3.172,367 2.248,368 2.767,370 6.284,371 2.072,372 3.354,373 2.467,374 5.021,375 3.095,376 2.158,377 2.415,379 6.055,380 2.003,381 3.159,382 2.407,383 4.714,384 3.001,385 2.051,386 2.222,388 5.229,389 1.929,390 2.691,391 1.986,392 3.857,393 2.269,394 1.284,395 1.657,397 3.087,398 1.248,399 2.581,400 1.807,401 3.505,402 2.142,403 1.245,404 1.603,406 2.71,407 1.112,408 2.5,409 1.32,410 3.414,411 2,412 1.096,413 1.5,415 2.453,416 1,417 2.5,418 1.166,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.252,427 1,428 3.409,429 1.977,430 1,431 1.233,433 2.275,434 0.953,435 2.118,436 1,437 3.081,438 1.554,439 0.628,440 0.927,442 1.398,443 0.577,444 1.77,445 0.966,446 3,447 1.522,448 0.618,449 0.694,451 1.372,452 0.553,453 1.634,454 0.618,455 2.79,456 1.369,457 0.491,458 0.544,460 0.84,461 0.426,462 14.967,463 0.468,464 0.643,465 0.02,466 38.5,467 1.203,468 18,469 0.563,470 20.5,471 0.641,472 27.587,473 0.862,474 36.033,475 0.581,476 30.409,477 0.95,478 8.062,479 0.252,480 7.467,481 0.233,482 0.122,484 0.261,487 0.827,488 1.467,489 0.819,490 1.307,491 0.689,492 1.099,493 1.329,494 0.942,495 1.009,496 0.915,497 0.835,498 0.898,499 1.216,500 1.121,501 1.144,502 1.163,503 0.931,504 1.148,505 1.184,506 0.997,507 1.001,508 1.024,509 1.229,510 0.987,511 1.402,512 0.893,513 1.089,514 0.897,515 1.701,516 0.933,517 0.704,518 1.176,519 1.017,520 1.188,521 0.551,522 1.165,523 0.744,524 1.022,525 0.945,526 0.993,527 0.705,528 1.004,529 0.835,530 0.921,531 0.892,532 0.864,533 0.598,534 0.879,535 6.5,536 0.193,537 2.667,538 1.222,539 1.079,540 0.834,541 0.415,542 0.326,543 0.298,544 0.197,545 15503,546 41675,547 2.03,548 48.4,550 21,551 1,552 2,555 6,558 1.745,559 1.92,560 3.784,561 -0.774,563 1,567 92.247,568 1.488,569 3.458,570 4.724,571 5.047,572 5.208,573 5.208,574 3.258,575 4.375,576 4.968,577 3.989,578 1978.32,579 8.691,580 31480.3,582 1,585 369.16,586 1.299,587 4.94,588 0.191,589 0.006,590 0.061,591 0.03,592 0.028,593 0.023,594 0.011,595 0.009,596 0.008,597 0.005,598 0.372,599 0.33,600 0.88,601 1.094,602 172.791,603 -0.009,604 -0.261,605 0.069,606 -0.165,607 -0.042,608 -0.055,609 -0.086,610 0.144,611 -0.013,612 0.096,613 0.025,614 0.064,615 -0.052,616 -0.099,617 -0.16,618 -0.14,619 -0.034,620 -0.166,621 -0.067,622 -0.046,623 0.006,624 -0.052,625 -0.01,626 -0.015,627 -0.165,628 0.062,629 -0.066,630 0.07,631 -0.218,632 0.026,633 0.072,634 -0.145,635 -0.079,636 -0.164,637 0.018,638 -0.152,639 0.088,640 -0.049,641 0.023,642 -0.012,643 0.058,644 -0.007,645 -0.061,646 0.08,647 0.068,648 0.119,649 -0.026,650 0.119,651 1.989,652 4.996,653 0.531,654 40.336,655 1.003,656 1.127,657 2.608,658 6.801,659 0.644,660 3.555,661 3.807,662 3.97,663 4.127,664 4.234,665 4.248,666 4.277,667 4.317,668 4.419,669 4.466,670 8.465,671 0.613,672 438.57,673 3.555,674 5.056,675 5.855,676 6.683,677 7.495,678 8.325,679 9.142,680 9.972,681 10.791,682 11.621,683 3.2,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 62,726 18,727 2,728 34,730 64,731 25,733 15,734 4,735 8,736 1,739 3,740 3,745 2,751 2,753 16,754 9,756 1,761 1,765 1,769 1,772 30,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 3,840 32,846 4,848 4,850 2,862 8.1,865 1,866 2,867 2,869 16.667,870 11.817,871 7.278,872 3.554,874 2.102,875 1.295,876 0.929,877 9.291,878 9.236,879 3.795,880 4.294,881 4.753,882 5.2,883 5.533,884 5.558,885 5.657,886 5.654,887 5.9,888 6.101,889 0.9,890 41,891 11.823,893 4.775,894 7.719,895 22.571,897 17.513,899 2.219,900 71,903 1,904 353.133,905 168.931,906 18.685,908 69.144,911 168.931,912 422.278,913 18.685,914 28.533,915 15.883,916 84.857,917 103.282,918 47.746,919 11.771,920 317.82,922 353.133,923 187.616,924 69.144,927 282.506,928 117.771,929 22,931 53.098,932 117.732,933 16.786,935 353.133,936 87.829,937 168.931,940 353.133,941 37.874,942 132.956,944 85.93,945 353.133,946 87.829,947 168.931,949 0.564,950 0.311,951 0.158,952 0.079,953 17,954 8,955 0.203,956 13,958 1,959 4.501,960 260.538,962 17,963 150,968 23.989,969 12.394,970 8.086,972 85.93,973 20.467,974 4.095,978 3.381,979 1.965,981 609.893,982 43.5,987 11.996,991 -0.322,994 62.211,995 69.856,996 0.25,997 0.581,998 0.793,999 0.848,1000 0.875,1001 0.875,1002 4.992,1003 1.284,1004 5.796,1005 5.229,1006 4.489,1007 4.98,1008 2.594,1009 6.485,1010 4.381,1011 6.145,1012 1.245,1013 7.28,1014 3.087,1015 3.892,1016 4.527,1018 7.125,1019 3.774,1020 7.4,1021 1.096,1022 8.854,1023 2.71,1024 5.974,1025 7.021,1026 3.212,1027 10.113,1028 5.779,1029 8.686,1030 1,1031 10.48,1032 2.453,1033 6.176,1034 7.385,1036 11.541,1037 5.97,1038 10.001,1039 1,1040 12.138,1041 2.275,1042 7.683,1043 9.316,1044 4.011,1045 14,1046 7.421,1047 11.335,1048 0.628,1049 13.818,1050 2.275,1051 8.26,1052 10.067,1054 15.771,1055 7.984,1056 12.683,1057 0.618,1058 15.514,1059 1.398,1060 9.511,1061 11.737,1062 4.923,1063 18.03,1064 9.196,1065 2.843,1066 0.491,1067 17.221,1068 1.372,1069 10.285,1070 12.7,1072 19.971,1073 9.953,1074 2.692,1075 8.663,1076 18.937,1077 0.84,1078 11.413,1079 14.229,1080 5.898,1081 22.149,1082 11.053,1083 2.642,1084 7.725,1085 20.66,1086 3.769,1087 12.294,1088 15.316,1090 24.179,1091 11.917,1092 2.438,1093 7.335,1094 22.39,1095 3.635,1096 13.361,1097 16.762,1098 6.902,1099 26.326,1100 12.963,1101 2.248,1102 6.893,1103 24.125,1104 3.49,1105 14.302,1106 17.927,1108 28.404,1109 13.888,1110 2.158,1111 6.284,1112 25.865,1113 3.08,1114 15.341,1115 19.322,1116 7.92,1117 30.541,1118 14.91,1119 2.051,1120 6.055,1121 27.61,1122 2.767,1123 16.316,1124 20.536,1126 32.648,1127 15.87,1128 15176,1129 25007,1130 22.652,1131 39.943,1132 49.588,1133 50.591,1134 49.867,1135 48.794,1136 48.866,1137 62.072,1138 9.672,1139 129.19,1140 46.142,1141 5.126,1142 5.678,1143 5.664,1144 4.919,1145 4.843,1146 6.769,1147 3.349,1148 14.748,1149 4.802,1150 16.088,1151 1.458,1152 1.488,1153 1.467,1154 1.435,1155 1.437,1156 1.826,1157 0.284,1158 3.8,1159 1.357,1160 3.988,1161 4.029,1162 3.924,1163 3.89,1164 7.433,1165 3.891,1166 3.915,1167 3.95,1168 3.857,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.712,1176 4.878,1177 3.74,1178 3.636,1179 3.684,1180 3.517,1181 3.443,1182 4.757,1183 3.445,1184 3.559,1185 3.598,1186 3.438,1187 3.352,1188 4.602,1189 3.368,1190 3.33,1191 3.369,1192 3.206,1193 3.113,1194 4.488,1195 3.129,1196 3.244,1197 3.283,1198 3.118,1199 3.047,1200 4.395,1201 3.056,1202 3.079,1203 3.147,1204 2.884,1205 2.824,1206 4.237,1207 2.816,1208 0.123,1209 0.108,1210 0.178,1211 0.113,1212 0.084,1213 4.195,1214 0.111,1215 3.678,1216 0.049,1217 6.047,1218 0.255,1219 3.83,1220 0.082,1221 2.843,1222 3.769,1223 1.674,1224 8.663,1225 2.802,1226 1.923,1227 1.903,1228 2.032,1229 2.026,1230 1.209,1231 2.026,1232 1.899,1233 1.878,1234 2.014,1235 1.999,1236 1.144,1237 2.004,1238 1.684,1239 1.632,1240 1.887,1241 1.907,1242 1.117,1243 1.897,1244 1.601,1245 1.543,1246 1.863,1247 1.816,1248 1.05,1249 1.838,1250 1.367,1251 1.318,1252 1.597,1253 1.627,1254 0.702,1255 1.612,1256 1.282,1257 1.221,1258 1.551,1259 1.533,1260 0.629,1261 1.539,1262 1.246,1263 1.204,1264 1.454,1265 1.517,1266 0.593,1267 1.504,1268 1.171,1269 1.11,1270 1.432,1271 1.429,1272 0.516,1273 1.428,1274 4.234,1276 5.501,1277 2.398,1278 6.936,1279 4.443,1280 8.445,1281 6.26,1282 9.994,1284 5.308,1290 1.954,1292 22.461,1294 -0.305,1300 37.992,1301 92.247,1302 214.396,1303 292.896,1304 312.896,1305 322.896,1306 322.896,1307 63.348,1308 7.134,1309 71.81,1310 71.81,1311 17,1312 12.196,1313 4.248,1314 3.392,1315 61.21,1316 155,1317 176,1318 0.178,1319 235.622,1320 413.47,1321 566.678,1322 11995,1324 22.761,1325 0.711,1326 0.587,1327 22.761,1328 18.77,1329 15.529,1330 0.457,1331 0.312,1332 10.406,1333 14.731,1334 10.061,1335 8.413,1336 15.529,1337 10.611,1338 13.443,1339 0.306,1340 0.175,1341 13.443,1342 7.707,1343 10.432,1344 0.201,1345 0.091,1346 10.432,1347 4.723,1348 8.174,1349 0.134,1350 0.05,1351 8.174,1352 3.047,1353 5.769,1354 0.085,1355 0.028,1356 5.769,1357 1.938,1358 0.288,1359 98.705,1360 0.21,1361 30.752,1362 0.462,1363 156,1364 511.968,1365 175.357,1366 473.189,1367 630.82,1368 446,1369 174,1370 438.657,1371 193.307,1372 443.628,1373 636.64,1374 411,1375 5.793} {0 CHEMBL39150,1 1.473,2 16.722,3 4.28,4 18.314,5 137.495,6 7.373,7 0.59,8 4.277,9 4.377,10 3.836,11 3.799,12 5.384,13 3.787,14 4.806,15 4.955,16 4.116,17 4.142,18 5.885,19 4.112,20 4.981,21 5.155,22 4.12,23 4.239,24 6.004,25 4.164,26 5.104,27 5.327,28 4.026,29 4.176,30 6.076,31 4.089,32 5.026,33 5.252,34 4.006,35 4.129,36 5.98,37 4.052,38 4.964,39 5.174,40 4.037,41 4.172,42 5.952,43 4.089,44 5.024,45 5.24,46 4.056,47 4.225,48 6.033,49 4.132,50 5.005,51 5.231,52 4.005,53 4.241,54 5.911,55 4.136,56 0.018,57 0.869,58 13.427,59 6.354,60 10.518,61 7.855,62 0.476,63 1.374,64 26.204,65 9.957,66 41.321,67 12.232,68 0.403,69 1.589,70 31.465,71 12.682,72 43.018,73 16.255,74 0.574,75 1.686,76 38.997,77 13.658,78 69.396,79 17.801,80 0.566,81 1.57,82 36.23,83 12.611,84 59.341,85 16.49,86 0.479,87 1.558,88 32.372,89 12.191,90 51.866,91 16.219,92 0.603,93 1.656,94 34.777,95 12.881,96 67.093,97 17.259,98 0.391,99 1.669,100 33.766,101 12.812,102 46.131,103 17.409,104 6,105 50,106 0.232,107 0.525,108 0.705,109 0.816,110 0.86,111 0.86,112 3.615,113 0.906,114 -4.42,115 -4.35,116 -4.1,118 43.9,123 1,124 5,126 1,140 13,141 4,142 1,143 1,149 1,154 1,156 1,168 16,171 2,172 7,180 16,185 2,186 12,194 8,197 1,198 12,206 1,209 1,210 9,218 4,221 2,222 9,229 8,233 2,234 10,242 11,247 7,255 12,258 1,259 5,267 12,270 2994,271 24.938,272 24.938,273 24.938,274 24.938,275 24.938,276 22.027,277 26.4,278 15.258,279 25.63,280 19.22,281 19.22,282 19.22,283 19.22,284 19.22,285 14.905,286 28.986,287 7.243,288 20.194,289 4.571,290 2.711,291 1.567,292 0.864,293 0.587,294 0.587,295 4.314,300 1,301 1292,302 4.243,305 129.471,306 453.41,313 2.515,314 30.376,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 78,326 602,327 4.191,328 3.665,329 6.031,330 3.822,331 2.831,332 3.769,333 1.727,334 8.598,335 2.798,336 4.035,337 3.061,338 5.593,339 3.634,340 2.691,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.924,347 5.479,348 3.593,349 2.642,350 3.49,351 1.151,352 7.335,353 2.494,354 3.897,355 2.771,356 5.348,357 3.505,358 2.518,359 3.445,360 0.86,361 6.989,362 2.457,363 3.723,364 2.722,365 5.304,366 3.365,367 2.391,368 3.066,369 0.636,370 6.835,371 2.329,372 3.492,373 2.654,374 5.112,375 3.167,376 2.236,377 2.767,379 6.284,380 2.072,381 3.348,382 2.422,383 5.019,384 3.084,385 2.144,386 2.41,388 6.049,389 1.997,390 2.966,391 2.003,392 4.186,393 2.553,394 1.588,395 2.126,397 3.856,398 1.527,399 2.821,400 1.813,401 3.607,402 2.355,403 1.367,404 1.881,406 3.05,407 1.335,408 2.582,409 1.737,410 3.506,411 2.142,412 1.251,413 1.61,415 2.711,416 1.112,417 2.5,418 1.32,419 3.415,420 2,421 1.113,422 1.5,424 2.471,425 1,426 2.5,427 1.257,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.165,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.254,445 1,446 3.247,447 1.984,448 1,449 1.238,451 2.136,452 0.959,453 2.118,454 1,455 3.113,456 1.556,457 0.658,458 0.927,460 1.485,461 0.582,462 16.967,463 0.471,464 0.567,465 0.016,466 47,467 1.306,468 24,469 0.667,470 23,471 0.639,472 28.492,473 0.791,474 38.833,475 0.588,476 37.678,477 1.047,478 10.033,479 0.279,480 7.658,481 0.213,482 0.049,484 0.23,487 0.818,488 1.332,489 0.777,490 1.188,491 0.662,492 1.01,493 1.366,494 0.923,495 1.063,496 0.909,497 0.9,498 0.924,499 1,500 1.201,501 1.098,502 1.252,503 0.821,504 1.205,505 1.344,506 0.991,507 1.079,508 1.024,509 1.343,510 1.01,511 1.328,512 0.879,513 0.985,514 0.878,515 1.16,516 0.875,517 0.931,518 1.023,519 0.97,520 1.019,521 1.017,522 1.004,523 0.924,524 0.995,525 0.994,526 0.963,527 1.087,528 0.985,529 0.878,530 0.981,531 0.998,532 0.948,533 0.765,534 0.983,535 6,536 0.152,537 2.889,538 1.035,539 1.071,540 0.924,541 0.477,542 0.267,543 0.33,544 0.239,545 23560,546 62361,547 2.106,548 45.5,550 27,551 1,552 2,558 1.772,559 2.038,560 3.983,561 -0.799,567 97.232,568 1.473,569 3.334,570 4.478,571 5.18,572 5.457,573 5.457,574 3.499,575 4.517,576 5.137,577 4.189,578 2638.78,579 9.022,580 46634.8,585 398.93,586 1.053,587 5.131,588 0.154,589 0.004,590 0.058,591 0.022,592 0.026,593 0.022,594 0.011,595 0.006,596 0.008,597 0.006,598 0.316,599 0.17,600 0.75,601 0.519,602 202.949,603 -0.008,604 -0.206,605 0.069,606 -0.125,607 -0.026,608 -0.033,609 -0.116,610 0.147,611 -0.1,612 0.081,613 -0.046,614 0.009,615 0.024,616 -0.195,617 -0.148,618 -0.242,619 0.023,620 -0.228,621 -0.104,622 -0.049,623 -0.044,624 -0.059,625 -0.081,626 -0.044,627 -0.102,628 0.067,629 0.051,630 0.087,631 -0.042,632 0.094,633 0.04,634 -0.027,635 0.006,636 -0.03,637 0.023,638 -0.02,639 0.043,640 -0.003,641 -0.013,642 0.022,643 0.017,644 -0.001,645 -0.091,646 0.03,647 -0.042,648 0.042,649 -0.091,650 0.015,651 2.017,652 5.358,653 0.639,654 51.787,655 1.003,656 1.119,657 3.19,658 10.173,659 0.666,660 3.689,661 3.932,662 4.127,663 4.277,664 4.419,665 4.407,666 4.454,667 4.489,668 4.635,669 4.727,670 9.586,671 0.636,672 486.61,673 3.689,674 5.187,675 5.994,676 6.817,677 7.633,678 8.458,679 9.277,680 10.103,681 10.924,682 11.75,683 3,691 1,693 1,699 16,700 1,704 5,705 1,706 23,715 1,722 1,724 66,726 24,727 3,728 39,730 69,731 29,733 21,734 5,735 13,736 1,739 4,740 4,751 1,753 22,754 7,756 1,761 1,765 1,772 30,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 3,831 2,832 4,836 1,840 36,846 5,848 4,850 1,862 7.6,865 1,866 2,867 2,869 17.667,870 11.9,871 8.194,872 3.651,874 2.862,875 1.377,876 0.959,877 9.685,878 10.453,879 3.961,880 4.474,881 4.96,882 5.407,883 5.787,884 5.735,885 5.864,886 5.927,887 6.273,888 6.577,889 1,890 47,891 13.296,893 5.443,894 7.69,895 25.417,897 19.99,899 2.19,900 78.833,904 353.133,905 206.44,906 18.685,908 69.144,911 206.44,912 422.278,913 18.685,914 10.883,915 20.475,916 132.239,917 103.282,918 50.932,919 11.771,920 317.82,922 353.133,923 225.125,924 69.144,927 353.133,928 47.145,929 22,931 40.04,932 168.299,933 16.786,935 353.133,936 87.829,937 206.44,940 353.133,941 45.652,942 162.687,944 85.93,945 353.133,946 87.829,947 206.44,949 0.561,950 0.319,951 0.16,952 0.082,953 20,954 8,955 0.203,956 14,958 1,959 4.989,960 309.454,962 23,963 174.117,968 25.645,969 13.595,970 8.332,972 85.93,973 30.098,974 4.109,978 4.296,979 1.966,981 647.402,982 51.5,987 12.358,991 -0.351,994 66.211,995 73.856,996 0.244,997 0.552,998 0.741,999 0.857,1000 0.903,1001 0.903,1002 5.146,1003 1.588,1004 5.916,1005 6.049,1006 4.615,1007 5.162,1008 2.678,1009 6.594,1010 4.525,1011 6.296,1012 1.367,1013 7.39,1014 3.856,1015 3.892,1016 4.605,1018 7.195,1019 3.801,1020 7.548,1021 1.251,1022 8.954,1023 3.05,1024 6.089,1025 7.219,1026 3.305,1027 10.201,1028 5.929,1029 8.832,1030 1.113,1031 10.573,1032 2.711,1033 6.217,1034 7.503,1036 11.62,1037 6.049,1038 10.146,1039 1,1040 12.226,1041 2.471,1042 7.788,1043 9.516,1044 4.165,1045 14.069,1046 7.571,1047 11.479,1048 1,1049 13.903,1050 2.275,1051 8.316,1052 10.198,1054 15.832,1055 8.086,1056 12.825,1057 1,1058 15.595,1059 2.275,1060 9.604,1061 11.928,1062 5.15,1063 18.074,1064 9.339,1065 2.831,1066 0.658,1067 17.299,1068 2.136,1069 10.344,1070 12.832,1072 20.005,1073 10.062,1074 2.691,1075 8.598,1076 19.011,1077 1.485,1078 11.491,1079 14.405,1080 6.196,1081 22.164,1082 11.183,1083 2.642,1084 7.725,1085 20.73,1086 3.769,1087 12.347,1088 15.444,1090 24.182,1091 12.022,1092 2.518,1093 7.335,1094 22.455,1095 3.635,1096 13.423,1097 16.92,1098 7.269,1099 26.311,1100 13.078,1101 2.391,1102 6.989,1103 24.185,1104 3.49,1105 14.346,1106 18.047,1108 28.377,1109 13.983,1110 2.236,1111 6.835,1112 25.92,1113 3.445,1114 15.386,1115 19.463,1116 8.353,1117 30.498,1118 15.007,1119 2.144,1120 6.284,1121 27.659,1122 3.066,1123 16.346,1124 20.647,1126 32.592,1127 15.952,1128 22278,1129 36395,1130 26.811,1131 43.943,1132 56.56,1133 57.657,1134 56.653,1135 55.875,1136 55.953,1137 73.323,1138 11.05,1139 146.485,1140 53.296,1141 5.122,1142 5.665,1143 5.833,1144 4.913,1145 4.831,1146 6.769,1147 3.455,1148 14.551,1149 4.798,1150 12.133,1151 1.45,1152 1.478,1153 1.453,1154 1.433,1155 1.435,1156 1.88,1157 0.283,1158 3.756,1159 1.367,1160 3.997,1161 4.035,1162 3.932,1163 3.902,1164 7.433,1165 3.903,1166 3.92,1167 3.96,1168 3.86,1169 3.842,1170 4.965,1171 3.841,1172 3.904,1173 3.933,1174 3.842,1175 3.83,1176 4.879,1177 3.822,1178 3.883,1179 3.913,1180 3.813,1181 3.712,1182 4.786,1183 3.74,1184 3.573,1185 3.605,1186 3.474,1187 3.358,1188 4.737,1189 3.378,1190 3.398,1191 3.409,1192 3.324,1193 3.175,1194 4.598,1195 3.204,1196 3.301,1197 3.349,1198 3.164,1199 3.067,1200 4.418,1201 3.08,1202 3.139,1203 3.198,1204 2.979,1205 2.972,1206 4.316,1207 2.963,1208 0.107,1209 0.094,1210 0.155,1211 0.098,1212 0.073,1213 4.191,1214 0.097,1215 3.665,1216 0.044,1217 6.031,1218 0.22,1219 3.822,1220 0.072,1221 2.831,1222 3.769,1223 1.727,1224 8.598,1225 2.798,1226 1.929,1227 1.908,1228 2.042,1229 2.03,1230 1.209,1231 2.031,1232 1.9,1233 1.878,1234 2.021,1235 2.003,1236 1.147,1237 2.008,1238 1.895,1239 1.868,1240 2.013,1241 1.978,1242 1.13,1243 1.992,1244 1.683,1245 1.63,1246 1.865,1247 1.902,1248 1.114,1249 1.893,1250 1.371,1251 1.326,1252 1.597,1253 1.63,1254 0.703,1255 1.614,1256 1.295,1257 1.27,1258 1.553,1259 1.562,1260 0.644,1261 1.548,1262 1.281,1263 1.219,1264 1.49,1265 1.526,1266 0.607,1267 1.514,1268 1.204,1269 1.14,1270 1.453,1271 1.494,1272 0.582,1273 1.491,1274 4.369,1276 5.631,1277 2.398,1278 7.071,1279 4.443,1280 8.584,1281 6.26,1282 10.133,1284 1.648,1290 2.162,1292 22.72,1294 -0.173,1300 41.992,1301 97.232,1302 220.012,1303 295.54,1304 341.91,1305 360.175,1306 360.175,1307 63.842,1308 7.591,1309 71.81,1310 71.81,1311 23,1312 12.327,1313 4.644,1314 3.755,1315 62.289,1316 204,1317 212,1318 0.14,1319 257.816,1320 451.49,1321 620.831,1322 23429,1324 25.004,1325 0.695,1326 0.564,1327 25.004,1328 20.286,1329 17.691,1330 0.454,1331 0.302,1332 11.565,1333 16.906,1334 11.277,1335 9.383,1336 17.691,1337 11.774,1338 14.895,1339 0.298,1340 0.166,1341 14.895,1342 8.314,1343 12.344,1344 0.202,1345 0.092,1346 12.344,1347 5.593,1348 9.449,1349 0.133,1350 0.05,1351 9.449,1352 3.571,1353 7.11,1354 0.087,1355 0.028,1356 7.11,1357 2.302,1358 0.229,1359 111.768,1360 0.193,1361 34.134,1362 0.357,1363 178,1364 565.968,1365 196.692,1366 529.56,1367 709.97,1368 500,1369 200,1370 493.748,1371 219.639,1372 503.32,1373 723.02,1374 467,1375 5.488} {0 CHEMBL39172,1 1.471,2 15.758,3 4.025,4 16.198,5 126.756,6 6.963,7 0.486,8 4.247,9 4.356,10 3.75,11 3.723,12 5.31,13 3.705,14 4.8,15 4.973,16 4.015,17 4.061,18 5.825,19 4.019,20 4.977,21 5.177,22 4.024,23 4.159,24 5.947,25 4.075,26 5.071,27 5.302,28 3.958,29 4.118,30 6.023,31 4.026,32 5.014,33 5.246,34 3.922,35 4.083,36 5.935,37 3.996,38 4.938,39 5.154,40 3.944,41 4.125,42 5.878,43 4.025,44 5.026,45 5.258,46 3.946,47 4.166,48 5.979,49 4.054,50 4.98,51 5.221,52 3.906,53 4.166,54 5.835,55 4.049,56 0.008,57 0.865,58 14.452,59 6.323,60 10.327,61 8.221,62 0.477,63 1.331,64 27.888,65 9.779,66 42.382,67 12.92,68 0.455,69 1.514,70 33.445,71 12.229,72 45.808,73 16.529,74 0.548,75 1.553,76 38.174,77 12.586,78 66.187,79 17.248,80 0.595,81 1.474,82 36.222,83 11.822,84 60.258,85 16.173,86 0.431,87 1.49,88 32.117,89 11.7,90 47.236,91 16.271,92 0.614,93 1.591,94 35.83,95 12.434,96 67.943,97 17.53,98 0.362,99 1.575,100 33.681,101 12.109,102 41.366,103 17.267,104 18,105 44,106 0.235,107 0.554,108 0.777,109 0.841,110 0.865,111 0.865,112 3.531,113 0.961,114 -4.04,115 -3.99,116 -3.78,118 40,119 1,120 2,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 12,171 2,172 7,180 11,185 2,186 11,194 5,197 1,198 11,206 1,209 1,210 7,218 3,221 2,222 8,229 5,233 2,234 9,242 6,247 7,255 7,258 1,259 5,267 9,270 2510,271 22.792,272 22.792,273 22.792,274 22.792,275 22.792,276 20.631,277 24.247,278 14.126,279 23.502,280 17.203,281 17.203,282 17.203,283 17.203,284 17.203,285 13.931,286 25.344,287 6.644,288 18.198,289 4.551,290 2.558,291 1.162,292 0.762,293 0.608,294 0.608,295 4.217,299 1,300 1,301 1085,302 4.416,305 118.655,306 273.94,313 2.31,314 29.494,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 72,326 520,327 4.188,328 3.658,329 6.029,330 3.817,331 2.825,332 3.768,333 1.674,334 8.589,335 2.796,336 4.035,337 3.061,338 5.592,339 3.633,340 2.69,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.924,347 5.479,348 3.592,349 2.642,350 3.49,351 1.151,352 7.335,353 2.462,354 3.733,355 2.73,356 5.315,357 3.381,358 2.413,359 3.071,360 0.86,361 6.87,362 2.337,363 3.492,364 2.655,365 5.112,366 3.168,367 2.238,368 2.767,370 6.284,371 2.072,372 3.349,373 2.423,374 5.019,375 3.086,376 2.145,377 2.41,379 6.05,380 1.997,381 2.927,382 2.051,383 4.225,384 2.684,385 1.731,386 1.993,388 4.01,389 1.642,390 2.587,391 1.93,392 3.518,393 2.339,394 1.352,395 1.612,397 2.787,398 1.32,399 2.569,400 1.805,401 3.5,402 2.142,403 1.25,404 1.545,406 2.708,407 1.112,408 2.5,409 1.32,410 3.414,411 2,412 1.112,413 1.5,415 2.456,416 1,417 2.5,418 1.182,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.253,427 1.165,428 3.404,429 1.984,430 1,431 1.236,433 2.275,434 0.959,435 2.118,436 1,437 3.089,438 1.612,439 0.685,440 0.927,442 1.448,443 0.625,444 1.788,445 1,446 3,447 1.554,448 0.618,449 0.735,451 1.372,452 0.577,453 1.727,454 0.965,455 2.794,456 1.489,457 0.571,458 0.628,460 0.963,461 0.515,462 15.467,463 0.469,464 0.499,465 0.015,466 39,467 1.182,468 18,469 0.545,470 21,471 0.636,472 28.745,473 0.871,474 37.333,475 0.574,476 30.684,477 0.93,478 8.075,479 0.245,480 8.098,481 0.245,482 0.086,484 0.22,487 0.825,488 1.468,489 0.837,490 1.313,491 0.66,492 1.112,493 1.332,494 0.965,495 1.059,496 0.947,497 0.86,498 0.948,499 1.028,500 1.125,501 1.038,502 1.161,503 0.813,504 1.113,505 1.315,506 0.989,507 1.049,508 1.013,509 1.338,510 0.99,511 1.383,512 0.876,513 1.03,514 0.872,515 1.353,516 0.889,517 0.847,518 1.13,519 1.01,520 1.129,521 0.915,522 1.103,523 0.909,524 1.029,525 1.011,526 0.994,527 1.099,528 1.017,529 0.825,530 1.015,531 0.968,532 0.973,533 0.621,534 0.988,535 5.5,536 0.16,537 2.667,538 1.097,539 0.999,540 0.778,541 0.394,542 0.283,543 0.306,544 0.213,545 17174,546 44394,547 2.047,548 49.2,549 5,550 22,551 1,552 2,555 2,558 1.752,559 1.96,560 3.891,561 -0.781,563 1,567 95.633,568 1.471,569 3.464,570 4.861,571 5.261,572 5.415,573 5.415,574 3.385,575 4.681,576 5.009,577 4.074,578 2151.18,579 8.776,580 35339.7,585 391.454,586 1.152,587 4.997,588 0.157,589 0.005,590 0.061,591 0.026,592 0.026,593 0.02,594 0.01,595 0.007,596 0.008,597 0.006,598 0.326,599 0.33,600 0.88,601 1.324,602 180.619,603 -0.004,604 -0.251,605 0.068,606 -0.158,607 -0.01,608 -0.052,609 -0.092,610 0.125,611 -0.057,612 0.072,614 0.024,615 0.023,616 -0.109,617 -0.06,618 -0.136,619 0.044,620 -0.116,621 -0.098,622 -0.041,623 -0.028,624 -0.049,625 -0.074,626 -0.029,627 -0.135,628 0.073,629 -0.003,630 0.089,631 -0.138,632 0.069,633 0.05,634 -0.1,635 -0.049,636 -0.111,637 -0.002,638 -0.1,639 0.039,640 -0.031,641 -0.034,642 -0.003,643 -0.014,644 -0.028,645 -0.07,646 0.009,647 -0.019,648 0.03,649 -0.056,650 0.018,651 1.958,652 5.06,653 0.515,654 44.793,655 1.001,656 1.127,657 2.812,658 7.908,659 0.642,660 3.584,661 3.807,662 3.989,663 4.127,664 4.248,665 4.277,666 4.304,667 4.317,668 4.443,669 4.533,670 8.875,671 0.608,672 452.6,673 3.584,674 5.069,675 5.866,676 6.683,677 7.495,678 8.317,679 9.134,680 9.958,681 10.778,682 11.604,683 3.1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 65,726 18,727 2,728 35,730 67,731 26,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 3,753 16,754 10,756 1,761 1,765 1,772 32,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 33,846 7,848 4,850 1,862 7.7,865 1,866 2,867 2,869 16.833,870 11.983,871 7.694,872 3.915,874 2.1,875 1.292,876 0.93,877 10.432,878 9.295,879 3.818,880 4.294,881 4.761,882 5.195,883 5.537,884 5.564,885 5.659,886 5.634,887 5.904,888 6.171,889 0.909,890 42,891 12.208,893 4.904,894 7.687,895 23.447,897 18.173,899 2.187,900 72.167,904 376.675,905 169.767,906 18.685,908 69.144,911 169.767,912 445.82,913 18.685,914 19.708,915 25.544,916 84.857,917 103.282,918 47.746,919 11.771,920 341.362,922 376.675,923 188.452,924 69.144,927 353.133,928 70.687,929 22,931 53.935,932 117.732,933 16.786,935 376.675,936 87.829,937 169.767,940 376.675,941 47.536,942 124.131,944 85.93,945 376.675,946 87.829,947 169.767,949 0.553,950 0.312,951 0.156,952 0.079,953 16,954 7,955 0.224,956 15,958 1,959 4.65,960 268.319,962 17,963 158.465,968 24.97,969 13.787,970 8.653,972 85.93,973 20.55,974 4.101,978 3.414,979 1.969,981 634.272,982 44.5,987 12.06,991 -0.291,994 65.094,995 73.272,996 0.244,997 0.575,998 0.807,999 0.874,1000 0.899,1001 0.899,1002 4.999,1003 1.352,1004 5.784,1005 4.01,1006 4.489,1007 4.98,1008 2.594,1009 6.457,1010 4.386,1011 6.134,1012 1.25,1013 7.255,1014 2.787,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.381,1021 1.112,1022 8.82,1023 2.708,1024 5.953,1025 7.013,1026 3.212,1027 10.072,1028 5.77,1029 8.662,1030 1,1031 10.44,1032 2.456,1033 6.089,1034 7.36,1036 11.504,1037 5.901,1038 9.976,1039 1,1040 12.097,1041 2.275,1042 7.649,1043 9.309,1044 4.011,1045 13.957,1046 7.403,1047 11.309,1048 0.685,1049 13.777,1050 2.275,1051 8.192,1052 10.056,1054 15.734,1055 7.939,1056 12.659,1057 0.618,1058 15.473,1059 1.448,1060 9.47,1061 11.732,1062 4.923,1063 17.982,1064 9.174,1065 2.825,1066 0.571,1067 17.182,1068 1.372,1069 10.226,1070 12.693,1072 19.924,1073 9.919,1074 2.69,1075 8.589,1076 18.899,1077 0.963,1078 11.366,1079 14.224,1080 5.898,1081 22.09,1082 11.03,1083 2.642,1084 7.725,1085 20.623,1086 3.768,1087 12.236,1088 15.31,1090 24.117,1091 11.888,1092 2.413,1093 7.335,1094 22.354,1095 3.635,1096 13.31,1097 16.757,1098 6.902,1099 26.252,1100 12.938,1101 2.238,1102 6.87,1103 24.089,1104 3.49,1105 14.243,1106 17.921,1108 28.325,1109 13.86,1110 2.145,1111 6.284,1112 25.829,1113 3.071,1114 15.283,1115 19.317,1116 7.92,1117 30.451,1118 14.882,1119 1.731,1120 6.05,1121 27.573,1122 2.767,1123 16.251,1124 20.531,1126 32.55,1127 15.84,1128 16826,1129 27198,1130 23.633,1131 41.705,1132 50.022,1133 51.128,1134 50.698,1135 49.427,1136 49.487,1137 62.688,1138 9.672,1139 127.942,1140 46.825,1141 5.119,1142 5.658,1143 5.939,1144 4.906,1145 4.825,1146 6.768,1147 3.349,1148 14.499,1149 4.796,1150 14.347,1151 1.429,1152 1.461,1153 1.449,1154 1.412,1155 1.414,1156 1.791,1157 0.276,1158 3.655,1159 1.338,1160 3.988,1161 4.029,1162 3.923,1163 3.89,1164 7.433,1165 3.891,1166 3.915,1167 3.949,1168 3.857,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.712,1176 4.878,1177 3.74,1178 3.677,1179 3.739,1180 3.526,1181 3.521,1182 4.756,1183 3.506,1184 3.568,1185 3.603,1186 3.454,1187 3.356,1188 4.6,1189 3.375,1190 3.368,1191 3.393,1192 3.266,1193 3.148,1194 4.447,1195 3.171,1196 3.293,1197 3.342,1198 3.154,1199 3.06,1200 4.38,1201 3.073,1202 3.129,1203 3.203,1204 2.925,1205 2.907,1206 4.236,1207 2.891,1208 0.12,1209 0.105,1210 0.172,1211 0.109,1212 0.081,1213 4.188,1214 0.108,1215 3.658,1216 0.048,1217 6.029,1218 0.245,1219 3.817,1220 0.08,1221 2.825,1222 3.768,1223 1.674,1224 8.589,1225 2.796,1226 1.923,1227 1.903,1228 2.032,1229 2.025,1230 1.24,1231 2.026,1232 1.899,1233 1.878,1234 2.014,1235 1.999,1236 1.208,1237 2.004,1238 1.687,1239 1.634,1240 1.956,1241 1.908,1242 1.142,1243 1.907,1244 1.673,1245 1.61,1246 1.865,1247 1.862,1248 1.115,1249 1.886,1250 1.37,1251 1.322,1252 1.597,1253 1.629,1254 0.715,1255 1.613,1256 1.283,1257 1.249,1258 1.563,1259 1.555,1260 0.701,1261 1.551,1262 1.279,1263 1.218,1264 1.545,1265 1.526,1266 0.627,1267 1.521,1268 1.2,1269 1.132,1270 1.453,1271 1.494,1272 0.592,1273 1.498,1274 4.263,1276 5.509,1277 2.398,1278 6.932,1279 4.443,1280 8.434,1281 6.26,1282 9.977,1284 3.711,1290 4.284,1292 22.523,1294 -0.156,1300 39.519,1301 95.633,1302 225.161,1303 315.944,1304 341.944,1305 351.944,1306 351.944,1307 66.772,1308 7.196,1309 71.81,1310 71.81,1311 17,1312 12.182,1313 4.248,1314 3.392,1315 64.295,1316 168,1317 208,1318 0.173,1319 245.214,1320 430.77,1321 590.083,1322 13232,1324 23.305,1325 0.706,1326 0.585,1327 23.305,1328 19.314,1329 16.173,1330 0.462,1331 0.32,1332 11.007,1333 15.382,1334 10.711,1335 8.962,1336 16.173,1337 11.217,1338 13.309,1339 0.302,1340 0.176,1341 13.309,1342 7.742,1343 10.852,1344 0.205,1345 0.096,1346 10.852,1347 5.112,1348 8.19,1349 0.134,1350 0.052,1351 8.19,1352 3.157,1353 5.953,1354 0.086,1355 0.029,1356 5.953,1357 2.007,1358 0.282,1359 102.662,1360 0.206,1361 31.686,1362 0.446,1363 158,1364 513.968,1365 176.692,1366 474.461,1367 632,1368 448,1369 176,1370 435.748,1371 195.307,1372 441.009,1373 634.22,1374 409,1375 5.699} {0 CHEMBL40186,1 1.512,2 14.258,3 2.398,4 5.748,5 119.58,6 7.059,7 0.515,8 4.172,9 4.289,10 3.687,11 3.649,12 5.253,13 3.635,14 4.712,15 4.888,16 3.958,17 3.989,18 5.741,19 3.953,20 4.886,21 5.082,22 3.967,23 4.093,24 5.891,25 4.014,26 4.982,27 5.211,28 3.897,29 4.066,30 5.953,31 3.971,32 4.953,33 5.189,34 3.846,35 4.036,36 5.872,37 3.939,38 4.886,39 5.115,40 3.845,41 4.056,42 5.77,43 3.942,44 4.943,45 5.191,46 3.843,47 4.063,48 5.852,49 3.945,50 4.878,51 5.124,52 3.819,53 4.041,54 5.734,55 3.935,56 0.018,57 0.831,58 13.151,59 5.546,60 10.269,61 7.356,62 0.396,63 1.264,64 25.14,65 8.581,66 34.654,67 11.52,68 0.444,69 1.426,70 30.19,71 10.837,72 44.648,73 14.754,74 0.467,75 1.47,76 34.451,77 11.492,78 60.689,79 15.925,80 0.525,81 1.416,82 33.804,83 11.146,84 58.41,85 15.447,86 0.401,87 1.414,88 30.45,89 11.084,90 40.489,91 15.661,92 0.491,93 1.468,94 32.96,95 11.298,96 55.698,97 16.273,98 0.383,99 1.404,100 30.75,101 10.553,102 39.683,103 15.088,104 16,105 42,106 0.246,107 0.581,108 0.776,109 0.836,110 0.863,111 0.863,112 3.471,113 0.939,114 -3.22,115 -3.21,116 -3.09,118 40,119 1,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 1,172 5,175 1,177 2,180 10,185 2,186 8,191 2,194 5,197 1,198 8,203 2,206 1,209 1,210 5,215 1,218 2,221 2,222 7,229 2,233 1,234 9,237 1,242 2,247 7,255 4,258 1,259 5,267 8,270 2119,271 21.378,272 21.378,273 21.378,274 21.378,275 21.378,276 19.217,277 25.843,278 13.102,279 22.048,280 16.203,281 16.203,282 16.203,283 16.203,284 16.203,285 12.931,286 27.775,287 6.096,288 17.107,289 4.395,290 2.326,291 1.125,292 0.758,293 0.592,294 0.592,295 4.156,299 1,300 1,301 925,302 4.183,305 109.584,306 253.503,313 2.106,314 26.043,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 67.5,326 442,327 4.188,328 3.556,329 6.028,330 3.827,331 2.824,332 3.767,333 1.151,334 8.586,335 2.83,336 4.035,337 3.061,338 5.592,339 3.634,340 2.69,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.923,347 5.479,348 3.593,349 2.642,350 3.49,351 1.058,352 7.335,353 2.466,354 3.733,355 2.728,356 5.315,357 3.386,358 2.411,359 3.07,360 0.86,361 6.869,362 2.353,363 3.492,364 2.654,365 5.112,366 3.168,367 2.238,368 2.767,370 6.284,371 2.072,372 3.349,373 2.422,374 5.019,375 3.086,376 2.145,377 2.41,379 6.05,380 1.998,381 2.897,382 1.997,383 4.195,384 2.538,385 1.567,386 1.961,388 3.849,389 1.514,390 2.582,391 1.81,392 3.506,393 2.142,394 1.252,395 1.61,397 2.711,398 1.112,399 2.5,400 1.51,401 3.417,402 2.001,403 1.127,404 1.5,406 2.476,407 1,408 2.5,409 1.32,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.256,418 1.166,419 3.414,420 2,421 1,422 1.241,424 2.275,425 0.976,426 2.118,427 1,428 3.119,429 1.867,430 0.876,431 0.991,433 1.579,434 0.858,435 2.081,436 1,437 3,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.767,445 0.965,446 2.878,447 1.513,448 0.613,449 0.682,451 1.218,452 0.544,453 1.633,454 0.618,455 2.78,456 1.367,457 0.484,458 0.539,460 0.835,461 0.423,462 14.533,463 0.469,464 0.499,465 0.016,466 38,467 1.226,468 18,469 0.581,470 20,471 0.645,472 25.354,473 0.818,474 34.667,475 0.578,476 29.523,477 0.952,478 8.052,479 0.26,480 7.122,481 0.23,482 0.092,484 0.234,487 0.845,488 1.472,489 0.832,490 1.27,491 0.666,492 1.078,493 1.383,494 0.955,495 1.051,496 0.914,497 0.889,498 0.919,499 1.089,500 1.113,501 1.083,502 1.154,503 0.964,504 1.124,505 1.259,506 1.031,507 1.067,508 1.065,509 1.321,510 1.042,511 1.312,512 0.91,513 1.047,514 0.932,515 1.326,516 0.949,517 0.758,518 1.11,519 0.985,520 1.139,521 0.544,522 1.109,523 0.817,524 0.997,525 0.946,526 0.995,527 0.725,528 0.993,529 0.985,530 0.921,531 0.939,532 0.873,533 0.646,534 0.893,535 5.5,536 0.16,537 2.667,538 1.097,539 0.919,540 0.723,541 0.394,542 0.267,543 0.273,544 0.197,545 14224,546 37838,547 2.05,548 48.3,550 22,551 1,552 2,553 1,555 3,558 1.737,559 1.958,560 3.762,561 -0.361,563 1,567 90.738,568 1.512,569 3.581,570 4.782,571 5.148,572 5.315,573 5.315,574 3.245,575 4.478,576 4.921,577 3.946,578 1834.69,579 8.601,580 28443.4,582 1,585 354.413,586 1.191,587 4.904,588 0.167,589 0.005,590 0.063,591 0.027,592 0.026,593 0.021,594 0.011,595 0.008,596 0.008,597 0.005,598 0.341,599 0.33,600 0.88,601 1.061,602 165.548,603 -0.02,604 -0.248,605 0.062,606 -0.142,607 -0.029,608 -0.043,609 -0.147,610 0.148,611 -0.06,612 0.093,613 -0.054,614 0.041,615 0.004,616 -0.085,617 -0.108,618 -0.131,619 -0.001,620 -0.136,621 -0.09,622 -0.076,623 -0.061,624 -0.087,625 -0.067,626 -0.071,627 -0.12,628 0.03,629 -0.033,630 0.04,631 -0.142,632 0.02,633 0.09,634 -0.118,635 -0.03,636 -0.122,637 0.039,638 -0.101,639 0.067,640 -0.027,641 0.028,642 -0.01,643 0.061,644 0.001,645 -0.099,646 0.064,647 0.033,648 0.117,649 -0.047,650 0.101,651 1.736,652 4.896,653 0.548,654 37.615,655 1.002,656 1.129,657 1.994,658 3.977,659 0.646,660 3.526,661 3.761,662 3.951,663 4.094,664 4.205,665 4.22,666 4.248,667 4.263,668 4.369,669 4.443,670 8.232,671 0.613,672 423.56,673 3.526,674 5.017,675 5.82,676 6.642,677 7.458,678 8.283,679 9.102,680 9.929,681 10.75,682 11.577,683 5,690 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,712 1,722 1,724 60,726 18,727 2,728 33,730 62,731 24,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 1,753 16,754 8,756 1,761 1,765 1,769 1,772 29,773 6,774 1,775 7,778 1,779 3,784 1,785 4,801 1,802 2,831 2,832 3,836 2,840 31,846 5,847 1,848 3,850 1,862 6.7,865 1,866 2,867 1,869 15.833,870 11.067,871 7.194,872 3.478,874 2.103,875 1.298,876 0.942,877 9.096,878 9.172,879 3.773,880 4.266,881 4.744,882 5.184,883 5.521,884 5.541,885 5.633,886 5.593,887 5.838,888 6.086,889 0.9,890 40,891 11.444,893 4.609,894 7.699,895 21.912,897 16.995,899 2.199,900 68.167,903 1,904 329.591,905 159.725,906 36.695,908 58.145,911 159.725,912 387.735,913 36.695,914 19.708,915 35.999,916 84.857,917 100.796,918 36.747,919 11.771,920 294.278,922 329.591,923 196.42,924 58.145,927 294.278,928 71.458,929 22,931 64.39,932 115.245,933 16.786,935 329.591,936 94.84,937 159.725,940 329.591,941 37.493,942 124.131,943 18.011,944 74.93,945 329.591,946 94.84,947 159.725,949 0.556,950 0.318,951 0.162,952 0.08,953 16,954 7,955 0.194,956 12,958 1,959 4.44,960 249.125,962 17,963 145.58,968 23.01,969 12.255,970 7.511,972 92.941,973 20.682,974 4.096,978 3.536,979 1.972,980 18.011,981 584.156,982 42.5,987 11.896,991 -0.07,994 60.101,995 67.73,996 0.256,997 0.606,998 0.81,999 0.872,1000 0.9,1001 0.9,1002 4.958,1003 1.252,1004 5.746,1005 3.849,1006 4.443,1007 4.952,1008 2.304,1009 6.431,1010 4.348,1011 6.103,1012 1.127,1013 7.226,1014 2.711,1015 3.761,1016 4.46,1018 7.066,1019 3.675,1020 7.357,1021 1,1022 8.799,1023 2.476,1024 5.922,1025 7.002,1026 2.453,1027 10.063,1028 5.757,1029 8.644,1030 1,1031 10.425,1032 2.275,1033 6.089,1034 7.36,1036 11.504,1037 5.933,1038 9.962,1039 0.876,1040 12.086,1041 2.275,1042 7.63,1043 9.305,1044 2.633,1045 13.953,1046 7.417,1047 11.3,1048 0.618,1049 13.77,1050 1.579,1051 8.192,1052 10.056,1054 15.733,1055 7.986,1056 12.651,1057 0.613,1058 15.468,1059 1.372,1060 9.459,1061 11.73,1062 2.836,1063 17.979,1064 9.214,1065 2.824,1066 0.484,1067 17.178,1068 1.218,1069 10.225,1070 12.693,1072 19.923,1073 9.984,1074 2.69,1075 8.586,1076 18.896,1077 0.835,1078 11.359,1079 14.223,1080 3.057,1081 22.087,1082 11.094,1083 2.642,1084 7.725,1085 20.621,1086 3.767,1087 12.235,1088 15.31,1090 24.115,1091 11.972,1092 2.411,1093 7.335,1094 22.352,1095 3.635,1096 13.304,1097 16.757,1098 3.291,1099 26.249,1100 13.027,1101 2.238,1102 6.869,1103 24.088,1104 3.49,1105 14.24,1106 17.921,1108 28.323,1109 13.966,1110 2.145,1111 6.284,1112 25.828,1113 3.07,1114 15.278,1115 19.317,1116 3.534,1117 30.447,1118 14.996,1119 1.567,1120 6.05,1121 27.572,1122 2.767,1123 16.248,1124 20.531,1126 32.546,1127 15.969,1128 13898,1129 22780,1130 22.246,1131 38.733,1132 47.538,1133 48.525,1134 48.178,1135 46.895,1136 46.974,1137 60.182,1138 8.44,1139 122.878,1140 44.608,1141 5.118,1142 5.556,1143 5.798,1144 4.915,1145 4.824,1146 6.767,1147 2.302,1148 14.48,1149 4.83,1150 13.719,1151 1.441,1152 1.47,1153 1.46,1154 1.421,1155 1.423,1156 1.824,1157 0.256,1158 3.724,1159 1.352,1160 3.988,1161 4.03,1162 3.924,1163 3.892,1164 7.429,1165 3.893,1166 3.917,1167 3.955,1168 3.858,1169 3.843,1170 4.964,1171 3.842,1172 3.902,1173 3.934,1174 3.841,1175 3.712,1176 4.877,1177 3.74,1178 3.603,1179 3.664,1180 3.497,1181 3.384,1182 4.751,1183 3.4,1184 3.538,1185 3.589,1186 3.407,1187 3.332,1188 4.596,1189 3.338,1190 3.322,1191 3.367,1192 3.183,1193 3.099,1194 4.409,1195 3.109,1196 3.227,1197 3.28,1198 3.072,1199 3.041,1200 4.244,1201 3.043,1202 3.08,1203 3.151,1204 2.881,1205 2.824,1206 4.193,1207 2.816,1208 0.127,1209 0.108,1210 0.183,1211 0.116,1212 0.086,1213 4.188,1214 0.114,1215 3.556,1216 0.035,1217 6.028,1218 0.26,1219 3.827,1220 0.086,1221 2.824,1222 3.767,1223 1.151,1224 8.586,1225 2.83,1226 1.927,1227 1.905,1228 2.036,1229 2.03,1230 1.209,1231 2.031,1232 1.899,1233 1.878,1234 2.014,1235 2,1236 1.146,1237 2.005,1238 1.684,1239 1.632,1240 1.869,1241 1.908,1242 1.118,1243 1.898,1244 1.542,1245 1.464,1246 1.833,1247 1.783,1248 0.986,1249 1.801,1250 1.366,1251 1.315,1252 1.597,1253 1.626,1254 0.703,1255 1.612,1256 1.282,1257 1.22,1258 1.551,1259 1.532,1260 0.632,1261 1.538,1262 1.244,1263 1.194,1264 1.454,1265 1.516,1266 0.595,1267 1.504,1268 1.173,1269 1.108,1270 1.442,1271 1.43,1272 0.517,1273 1.436,1274 4.205,1276 5.46,1277 2.398,1278 6.893,1279 4.443,1280 8.403,1281 6.26,1282 9.953,1284 3.55,1290 2.618,1291 2.797,1292 17.233,1294 -0.143,1300 36.772,1301 90.738,1302 214.873,1303 286.904,1304 308.904,1305 318.904,1306 318.904,1307 57.927,1308 7.069,1309 74.61,1310 74.61,1311 17,1312 12.154,1313 4.248,1314 3.392,1315 58.208,1316 145,1317 168,1318 0.179,1319 228.828,1320 398.38,1321 550.1,1322 10989,1324 21.891,1325 0.706,1326 0.58,1327 21.891,1328 17.991,1329 15.173,1330 0.46,1331 0.313,1332 10.132,1333 14.436,1334 9.851,1335 8.231,1336 15.173,1337 10.328,1338 12.602,1339 0.3,1340 0.169,1341 12.602,1342 7.112,1343 10.333,1344 0.203,1345 0.093,1346 10.333,1347 4.744,1348 7.93,1349 0.134,1350 0.052,1351 7.93,1352 3.042,1353 5.65,1354 0.086,1355 0.029,1356 5.65,1357 1.931,1358 0.291,1359 96.208,1360 0.212,1361 29.943,1362 0.468,1363 150,1364 476.565,1365 166.76,1366 445.171,1367 594.76,1368 420,1369 168,1370 411.983,1371 185.483,1372 419.036,1373 600.84,1374 389,1375 4.907} {0 CHEMBL40425,1 1.41,2 21.56,3 7.281,4 53.016,5 191.208,6 7.289,7 0.444,8 4.609,9 4.706,10 4.138,11 4.159,12 5.74,13 4.135,14 5.139,15 5.28,16 4.464,17 4.538,18 6.304,19 4.485,20 5.434,21 5.628,22 4.53,23 4.692,24 6.436,25 4.61,26 5.524,27 5.732,28 4.52,29 4.709,30 6.525,31 4.619,32 5.514,33 5.723,34 4.545,35 4.766,36 6.471,37 4.667,38 5.578,39 5.796,40 4.552,41 4.811,42 6.547,43 4.696,44 5.597,45 5.83,46 4.497,47 4.773,48 6.534,49 4.65,50 5.498,51 5.723,52 4.456,53 4.684,54 6.46,55 4.574,56 0.079,57 1.171,58 19.271,59 9.443,60 23.847,61 11.487,62 0.536,63 1.91,64 35.57,65 15.527,66 86.712,67 19.544,68 0.485,69 2.471,70 50.953,71 20.648,72 97.443,73 26.728,74 0.87,75 2.624,76 58.043,77 21.949,78 123.303,79 28.37,80 0.599,81 2.688,82 55.952,83 22.498,84 99.168,85 29.594,86 0.67,87 2.888,88 59.781,89 23.994,90 114.613,91 32.168,92 0.919,93 2.876,94 62.858,95 24.11,96 116.474,97 32.498,98 0.592,99 2.605,100 56.068,101 21.983,102 93.85,103 29.37,104 50,105 71,106 0.207,107 0.532,108 0.733,109 0.862,110 0.902,111 0.905,112 3.934,113 0.941,114 -5.5,115 -5.38,116 -5.02,118 44.1,120 7,121 1,124 2,126 1,127 1,133 3,134 1,140 14,141 5,142 2,143 2,154 2,163 2,167 2,168 28,169 2,171 1,172 12,175 2,177 4,180 30,181 2,186 15,191 4,194 26,195 2,198 16,201 1,203 4,206 25,207 2,210 13,215 3,218 31,219 2,222 11,225 1,227 4,229 35,230 2,233 2,234 8,239 5,242 34,243 2,246 1,247 5,248 2,252 5,255 28,256 4,258 2,259 11,260 1,262 2,264 6,267 22,268 4,270 6624,271 34.086,272 34.086,273 34.086,274 34.086,275 34.086,276 30.301,277 30.391,278 20.912,279 34.401,280 26.717,281 26.717,282 26.717,283 26.717,284 26.717,285 21.196,286 29.565,287 10.023,288 27.254,289 5.129,290 2.913,291 1.539,292 0.657,293 0.387,294 0.366,295 4.637,301 2288,302 5.099,306 1022.27,313 3.213,314 55.633,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 108.5,326 1078,327 4.38,328 3.607,329 6.681,330 4.109,331 3.139,332 3.968,333 2.341,334 10.786,335 3.042,336 4.334,337 3.597,338 6.5,339 4.013,340 3.016,341 3.856,342 2.341,343 10.18,344 3.008,345 4.127,346 3.596,347 6.129,348 3.806,349 2.813,350 3.691,351 1.902,352 8.997,353 2.793,354 3.913,355 3.203,356 5.659,357 3.518,358 2.561,359 3.47,360 1.151,361 7.405,362 2.454,363 3.731,364 3.062,365 5.448,366 3.431,367 2.454,368 2.987,369 0.869,370 7.215,371 2.391,372 3.576,373 2.938,374 5.298,375 3.311,376 2.318,377 2.899,378 0.22,379 6.774,380 2.299,381 3.552,382 2.641,383 5.113,384 3.24,385 2.235,386 2.735,388 6.092,389 2.222,390 3.546,391 2.546,392 4.66,393 3.236,394 2.231,395 2.71,397 5.184,398 2.217,399 3.501,400 2.189,401 4.659,402 3.071,403 2.101,404 2.691,406 5.184,407 2.029,408 3.123,409 2.162,410 4.564,411 2.7,412 1.72,413 2.225,415 4.54,416 1.683,417 3.05,418 2,419 4.356,420 2.683,421 1.692,422 2.203,424 4.103,425 1.671,426 2.873,427 1.943,428 4.154,429 2.496,430 1.528,431 2.024,433 3.853,434 1.475,435 2.817,436 1.812,437 3.813,438 2.448,439 1.472,440 1.897,442 3.166,443 1.432,444 2.756,445 1.542,446 3.636,447 2.413,448 1.423,449 1.795,451 3.121,452 1.403,453 2.651,454 1.533,455 3.631,456 2.391,457 1.414,458 1.657,460 3.032,461 1.374,462 23.567,463 0.471,464 0.976,465 0.02,466 60.75,467 1.215,468 30.5,469 0.61,470 30.25,471 0.605,472 50.871,473 1.017,474 54.433,475 0.585,476 56.331,477 1.127,478 12.218,479 0.244,480 12.15,481 0.243,482 0.071,484 0.276,487 0.836,488 1.112,489 0.828,490 1.064,491 0.783,492 0.965,493 0.795,494 1.126,495 0.974,496 1.122,497 0.507,498 1.086,499 0.97,500 1.082,501 0.993,502 1.082,503 0.871,504 1.05,505 1.155,506 0.954,507 1.05,508 0.959,509 0.838,510 0.983,511 0.906,512 1.005,513 0.99,514 1.003,515 0.713,516 1.012,517 0.76,518 1.051,519 1.004,520 1.058,521 0.708,522 1.072,523 0.824,524 0.945,525 0.992,526 0.963,527 0.651,528 1,529 0.846,530 1.029,531 0.964,532 1.048,533 0.722,534 1.032,535 8,536 0.314,537 4.889,538 2.25,539 1.951,540 1.521,541 0.966,542 0.583,543 0.656,544 0.487,545 56388,546 157892,547 2.074,548 46.2,549 10,550 22,551 1,552 2,553 3,554 4,556 1,558 1.848,559 1.974,560 4.317,561 0.601,567 131.153,568 1.41,569 3.626,570 5,571 5.882,572 6.152,573 6.174,574 3.776,575 5.229,576 5.611,577 4.561,578 5587.56,579 9.962,580 127131,585 608.142,586 1.25,587 5.59,588 0.148,589 0.005,590 0.069,591 0.03,592 0.027,593 0.02,594 0.013,595 0.008,596 0.01,597 0.007,598 0.338,599 0.17,600 0.5,601 1.56,602 310.66,603 -0.059,604 0.004,605 0.024,606 0.027,607 -0.079,608 0.038,609 0.104,610 -0.058,611 -0.063,612 -0.076,613 0.151,614 -0.096,615 -0.068,616 -0.074,617 -0.038,618 -0.067,619 -0.069,620 -0.05,621 -0.094,622 0.029,623 -0.055,624 0.032,625 -0.058,626 0.002,627 -0.076,628 -0.002,629 -0.036,630 0.009,631 -0.053,632 -0.005,633 -0.011,634 -0.042,635 -0.057,636 -0.05,637 -0.029,638 -0.059,639 0.007,640 0.04,641 -0.017,642 0.03,643 -0.027,644 0.008,645 -0.014,646 -0.043,647 0.005,648 -0.048,649 -0.032,650 -0.023,651 2.496,652 4.62,653 0.6,654 92.918,655 1.003,656 1.117,657 4.269,658 18.221,659 0.663,660 4.007,661 4.277,662 4.5,663 4.727,664 4.977,665 5.043,666 5.198,667 5.333,668 5.46,669 5.545,670 12.302,671 0.632,672 677.85,673 4.007,674 5.525,675 6.347,676 7.197,677 8.041,678 8.9,679 9.756,680 10.622,681 11.486,682 12.356,683 1.1,693 1,699 16,700 1,704 7,706 24,721 1,722 1,724 93,726 28,727 3,728 54,730 97,731 41,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 8,753 29,754 12,755 1,756 4,761 2,763 3,765 3,772 43,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 50,845 3,846 9,848 3,850 3,862 8.6,864 3,865 2,866 2,867 1,869 25.333,870 15.967,871 11.25,872 5.61,874 4.057,875 1.452,876 0.931,877 13.927,878 13.035,879 4.263,880 4.771,881 5.242,882 5.733,883 6.249,884 6.364,885 6.719,886 7.037,887 7.376,888 7.689,889 1,890 74,891 18.56,893 7.837,894 7.853,895 35.289,897 28.749,899 2.353,900 117.667,904 470.844,905 232.654,906 16.786,908 211.34,911 232.654,912 682.184,913 16.786,915 26.926,916 161.456,917 242.487,918 53.452,919 11.771,920 435.531,922 470.844,923 249.439,924 211.34,927 459.073,928 201.111,929 22,930 0.36,931 45.021,932 158.844,933 45.214,935 470.844,936 228.125,937 232.654,940 471.204,941 53.103,942 179.191,944 228.125,945 470.844,946 228.125,947 232.654,949 0.565,950 0.312,951 0.165,952 0.093,953 28,954 13,955 0.175,956 17,958 1,959 5.933,960 502.463,962 30,963 274.193,968 36.69,969 18.98,970 11.219,972 228.125,973 30.453,974 4.274,978 5.448,980 128.05,981 931.623,982 70,987 21.695,989 5.965,991 -0.554,994 93.276,995 103.893,996 0.216,997 0.555,998 0.765,999 0.899,1000 0.941,1001 0.944,1002 5.476,1003 2.231,1004 6.293,1005 6.092,1006 4.963,1007 5.46,1008 3.358,1009 7.04,1010 4.922,1011 6.639,1012 2.101,1013 7.808,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.316,1020 7.906,1021 1.72,1022 9.426,1023 5.184,1024 6.485,1025 7.504,1026 4.58,1027 10.941,1028 6.41,1029 9.204,1030 1.692,1031 11.111,1032 4.54,1033 6.746,1034 7.869,1035 4.929,1036 12.652,1037 6.657,1038 10.535,1039 1.528,1040 12.841,1041 4.103,1042 8.287,1043 9.827,1044 6.055,1045 15.252,1046 8.179,1047 11.888,1048 1.472,1049 14.604,1050 3.853,1051 8.969,1052 10.601,1053 6.678,1054 17.331,1055 8.843,1056 13.26,1057 1.423,1058 16.391,1059 3.166,1060 10.26,1061 12.301,1062 7.643,1063 19.766,1064 10.117,1065 3.139,1066 1.414,1067 18.197,1068 3.121,1069 11.158,1070 13.307,1071 8.387,1072 22,1073 10.996,1074 3.016,1075 10.786,1076 20.016,1077 3.032,1078 12.34,1079 14.865,1080 9.284,1081 24.379,1082 12.16,1083 2.813,1084 10.18,1085 21.847,1086 3.968,1087 13.348,1088 16.008,1089 10.083,1090 26.679,1091 13.148,1092 2.561,1093 8.997,1094 23.687,1095 3.856,1096 14.485,1097 17.483,1098 10.951,1099 29.04,1100 14.266,1101 2.454,1102 7.405,1103 25.534,1104 3.691,1105 15.548,1106 18.709,1107 11.776,1108 31.371,1109 15.308,1110 2.318,1111 7.215,1112 27.387,1113 3.47,1114 16.67,1115 20.136,1116 12.633,1117 33.727,1118 16.41,1119 2.235,1120 6.774,1121 29.245,1122 2.987,1123 17.761,1124 21.413,1125 13.47,1126 36.072,1127 17.48,1128 53985,1129 90459,1130 36.463,1131 61.631,1132 79.584,1133 80.356,1134 80.075,1135 78.581,1136 78.549,1137 100.339,1138 17.647,1139 211.997,1140 76.826,1141 5.38,1142 5.607,1143 6.483,1144 5.182,1145 5.139,1146 6.968,1147 3.925,1148 17.864,1149 5.042,1150 24.464,1151 1.474,1152 1.488,1153 1.483,1154 1.455,1155 1.455,1156 1.858,1157 0.327,1158 3.926,1159 1.423,1160 4.047,1161 4.07,1162 3.986,1163 3.97,1164 7.477,1165 3.97,1166 3.967,1167 3.989,1168 3.911,1169 3.894,1170 7.472,1171 3.895,1172 3.898,1173 3.922,1174 3.836,1175 3.84,1176 6.469,1177 3.835,1178 3.795,1179 3.827,1180 3.731,1181 3.704,1182 6.352,1183 3.706,1184 3.764,1185 3.804,1186 3.657,1187 3.662,1188 6.35,1189 3.653,1190 3.724,1191 3.773,1192 3.598,1193 3.586,1194 4.95,1195 3.577,1196 3.63,1197 3.661,1198 3.529,1199 3.46,1200 4.877,1201 3.466,1202 3.467,1203 3.498,1204 3.371,1205 3.305,1206 4.812,1207 3.312,1208 0.081,1209 0.067,1210 0.124,1211 0.076,1212 0.058,1213 4.38,1214 0.073,1215 3.607,1216 0.043,1217 6.681,1218 0.2,1219 4.109,1220 0.056,1221 3.139,1222 3.968,1223 2.341,1224 10.786,1225 3.042,1226 1.977,1227 1.956,1228 2.08,1229 2.074,1230 1.366,1231 2.074,1232 1.95,1233 1.93,1234 2.066,1235 2.05,1236 1.326,1237 2.056,1238 1.899,1239 1.876,1240 2.016,1241 1.982,1242 1.183,1243 1.994,1244 1.779,1245 1.747,1246 1.949,1247 1.901,1248 1.146,1249 1.917,1250 1.763,1251 1.722,1252 1.947,1253 1.89,1254 1.136,1255 1.908,1256 1.717,1257 1.665,1258 1.893,1259 1.886,1260 1.014,1261 1.892,1262 1.586,1263 1.548,1264 1.8,1265 1.781,1266 0.943,1267 1.784,1268 1.422,1269 1.384,1270 1.641,1271 1.626,1272 0.834,1273 1.625,1274 4.691,1276 5.974,1278 7.445,1280 9.006,1282 10.619,1289 28.445,1290 4.318,1292 18.704,1294 -1.08,1300 58.803,1301 131.153,1302 337.26,1303 464.99,1304 547.022,1305 572.142,1306 574.142,1307 130.603,1308 8.977,1309 135.41,1310 135.41,1311 30,1312 12.901,1313 4.858,1314 4.087,1315 90.945,1316 378,1317 362,1318 0.115,1319 359.015,1320 651.54,1321 867.757,1322 130735,1324 35.133,1325 0.703,1326 0.558,1327 35.133,1328 27.896,1329 24.368,1330 0.451,1331 0.314,1332 16.741,1333 23.567,1334 16.431,1335 13.589,1336 24.368,1337 16.933,1338 21.187,1339 0.298,1340 0.172,1341 21.187,1342 12.234,1343 16.785,1344 0.189,1345 0.096,1346 16.785,1347 8.522,1348 13.583,1349 0.121,1350 0.052,1351 13.583,1352 5.859,1353 11.278,1354 0.078,1355 0.029,1356 11.278,1357 4.137,1358 0.19,1359 152.229,1360 0.166,1361 44.197,1362 0.29,1363 250,1364 760.772,1365 273.862,1366 721.681,1367 960.08,1368 674,1369 285,1370 670.931,1371 306.432,1372 676.931,1373 983.47,1374 637,1375 7.699} {0 CHEMBL40736,1 1.555,2 8.769,3 3.765,4 14.177,5 102.314,6 8.453,7 0.621,8 3.873,9 3.952,10 3.596,11 3.545,12 5.042,13 3.501,14 4.368,15 4.474,16 3.954,17 3.95,18 5.58,19 3.874,20 4.625,21 4.76,22 4.152,23 4.146,24 5.703,25 4.046,26 4.766,27 4.938,28 4.158,29 4.167,30 5.783,31 4.024,32 4.695,33 4.875,34 4.001,35 4.118,36 5.653,37 3.979,38 4.679,39 4.862,40 3.949,41 4.02,42 5.79,43 3.922,44 4.623,45 4.808,46 3.855,47 3.957,48 5.744,49 3.885,50 4.623,51 4.821,52 3.658,53 3.779,54 5.848,55 3.708,56 0.036,57 0.52,58 7.353,59 4.078,60 9.357,61 4.571,62 0.207,63 0.893,64 16.624,65 7.48,66 34.808,67 8.042,68 0.111,69 1.142,70 19.714,71 9.682,72 25.437,73 11.018,74 0.339,75 1.382,76 32.208,77 12.462,78 45.497,79 13.224,80 0.211,81 1.264,82 29.63,83 12,84 35.941,85 13.463,86 0.473,87 1.212,88 26.966,89 10.583,90 48.87,91 12.324,92 0.126,93 1.129,94 20.528,95 9.242,96 28.224,97 11.581,98 0.402,99 1.134,100 21.831,101 8.612,102 65.565,103 9.883,104 6,105 40,106 0.268,107 0.581,108 0.769,109 0.883,110 0.91,111 0.918,112 3.305,113 0.968,114 -4.42,115 -4.35,116 -4.1,118 48.8,124 2,126 1,140 9,141 5,142 1,143 2,154 1,163 1,167 1,168 12,169 1,172 6,175 1,177 1,180 15,181 2,186 7,191 2,194 12,195 2,198 7,203 2,206 14,210 1,211 1,218 16,219 2,221 1,222 5,225 1,227 2,229 16,230 2,234 6,239 2,242 12,243 3,246 1,247 8,252 3,255 6,256 2,259 4,260 1,264 2,267 2,268 1,270 1078,271 17.913,272 17.913,273 17.913,274 17.913,275 17.913,276 15.592,277 16.684,278 10.713,279 18.258,280 14.337,281 14.337,282 14.337,283 14.337,284 14.337,285 10.864,286 17.947,287 5.092,288 14.893,289 3.872,290 2.051,291 0.96,292 0.297,293 0.14,294 0.093,295 4.008,298 1,299 1,300 1,301 497,302 2.915,306 167.169,307 56.959,311 184.415,313 1.13,314 23.448,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 55.5,326 228,327 4.488,328 4.586,329 6.809,330 4.175,331 3.209,332 4.086,333 3.863,334 11.266,335 3.1,336 4.162,337 3.584,338 6.137,339 3.778,340 2.782,341 3.771,342 1.437,343 8.959,344 2.765,345 3.897,346 3.386,347 5.823,348 3.497,349 2.523,350 3.444,351 1.151,352 7.816,353 2.454,354 3.823,355 2.874,356 5.364,357 3.449,358 2.463,359 3.196,360 1.045,361 6.995,362 2.417,363 3.315,364 2.82,365 5.237,366 3.039,367 2.124,368 2.474,370 6.294,371 1.93,372 2.934,373 2.318,374 4.264,375 2.492,376 1.533,377 2.103,379 3.648,380 1.477,381 2.917,382 1.988,383 3.938,384 2.451,385 1.478,386 2.089,388 3.343,389 1.422,390 2.775,391 1.691,392 3.763,393 2.288,394 1.295,395 1.841,397 3.118,398 1.285,399 2.736,400 1.494,401 3.637,402 2.258,403 1.26,404 1.782,406 2.917,407 1.234,408 2.5,409 1.406,410 3.542,411 1.957,412 1,413 1.5,415 2.47,416 0.954,417 2.321,418 1.317,419 3.247,420 1.895,421 1,422 1.274,424 2.136,425 0.873,426 1.922,427 1.032,428 3.209,429 1.595,430 0.694,431 0.827,433 1.62,434 0.614,435 1.426,436 1,437 2.955,438 1.122,439 0.217,440 0.254,442 0.548,443 0.191,444 1.185,445 0.472,446 2.666,447 0.855,448 -0.114,449 -0.139,451 -0.291,452 -0.109,453 0.774,454 0.234,455 2.325,456 0.378,457 -0.556,458 -0.681,460 -1.294,461 -0.513,462 12.733,463 0.49,464 0.538,465 0.021,466 36,467 1.385,468 20,469 0.769,470 16,471 0.615,472 20.535,473 0.79,474 26.267,475 0.611,476 25.314,477 0.974,478 6.895,479 0.265,480 5.826,481 0.224,482 0.052,484 0.314,487 0.775,488 0.934,489 0.705,490 0.824,491 0.715,492 0.8,493 0.772,494 0.99,495 1.158,496 1.081,497 0.475,498 0.965,499 0.796,500 1.064,501 0.934,502 1.04,503 0.619,504 1.044,505 1.075,506 1.005,507 1.355,508 1.192,509 0.882,510 1.05,511 0.774,512 1.026,513 1.322,514 1.22,515 0.699,516 1.059,517 0.718,518 0.965,519 0.979,520 1.043,521 0.747,522 0.992,523 0.759,524 1.138,525 0.72,526 0.995,527 0.82,528 1.028,529 1.531,530 1.055,531 0.886,532 0.857,533 1.749,534 1.04,535 4,536 0.037,537 2.889,538 1.375,539 1.332,540 0.92,541 0.625,542 0.349,543 0.222,544 0.142,545 7347,546 21576,547 2.148,548 39.5,550 14,552 2,553 1,558 1.7,559 2.053,560 3.102,561 -0.37,563 1,567 66.849,568 1.555,569 3.375,570 4.466,571 5.13,572 5.287,573 5.333,574 2.442,575 4.393,576 4.67,577 3.248,578 1055.56,579 8.142,580 12855.5,582 1,584 1,585 233.329,586 1.239,587 4.65,588 0.138,589 0.005,590 0.072,591 0.031,592 0.033,593 0.024,594 0.016,595 0.009,596 0.008,597 0.008,598 0.344,599 0.17,600 1,601 0.646,602 124.239,603 -0.054,604 0.019,605 0.048,606 0.068,607 -0.075,608 0.054,609 0.05,610 0.011,611 -0.137,612 -0.047,613 0.156,614 -0.058,615 -0.031,616 -0.103,617 0.022,618 -0.045,619 0.012,620 -0.103,621 -0.102,622 0.014,623 -0.045,624 -0.011,625 -0.071,626 -0.035,627 -0.034,628 -0.049,629 -0.102,630 -0.072,631 -0.034,632 -0.022,633 0.206,634 -0.006,635 0.004,636 -0.055,637 0.099,638 0.001,639 0.036,640 -0.209,641 0.025,642 -0.148,643 0.026,644 -0.063,645 -0.172,646 -0.081,647 -0.119,648 -0.044,649 -0.209,650 -0.113,651 2.596,652 4.448,653 0.808,654 21.112,655 1.005,656 1.102,657 3.188,658 10.165,659 0.723,660 3.401,661 3.714,662 4.007,663 4.277,664 4.575,665 4.718,666 4.875,667 5.004,668 5.147,669 5.236,670 5.462,671 0.688,672 363.46,673 3.401,674 4.934,675 5.79,676 6.666,677 7.543,678 8.428,679 9.315,680 10.207,681 11.099,682 11.994,683 2.3,693 1,699 11,700 1,704 6,706 18,714 1,722 1,724 43,726 19,727 2,728 29,730 46,731 21,733 17,734 5,735 7,736 1,739 4,740 7,748 1,751 1,753 18,754 3,756 1,761 1,765 1,769 1,772 17,773 4,774 1,775 5,776 1,779 1,784 0.5,785 3,795 1,802 3,803 1,807 2,830 1,832 2,833 1,834 1,840 26,845 1,846 2,848 1,849 1,850 1,862 7,864 1,865 1,867 1,869 12.667,870 7.65,871 5.722,872 2.426,874 3.335,875 1.436,876 0.982,877 4.85,878 10.992,879 3.689,880 4.27,881 4.834,882 5.37,883 5.928,884 6.112,885 6.488,886 6.842,887 7.282,888 7.655,889 0.833,890 45,891 9.612,893 4.147,894 7.782,895 18.336,897 15.307,899 2.282,900 59.333,903 1,904 188.338,905 163.174,906 16.786,908 78.828,910 32.22,911 130.954,912 267.166,913 16.786,915 5.492,916 85.286,917 109.066,918 50.266,920 197.015,922 188.338,923 147.74,924 78.828,925 32.22,927 188.338,928 78.828,931 23.587,932 107.367,933 16.786,934 32.22,935 188.338,936 95.614,937 163.174,940 188.338,941 59.793,942 103.381,944 95.614,945 188.338,946 95.614,947 163.174,949 0.577,950 0.338,951 0.184,952 0.107,953 20,954 8,955 0.087,956 4,957 2,958 1.19,959 3.73,960 229.804,961 0.19,962 21,963 122.211,964 1,968 16.984,969 7.424,970 3.59,972 95.614,973 20.885,974 4.177,978 5.361,980 42.683,981 447.125,982 39,987 11.448,991 -0.929,994 43.229,995 47.368,996 0.287,997 0.622,998 0.823,999 0.945,1000 0.974,1001 0.983,1002 4.909,1003 1.295,1004 5.759,1005 3.343,1006 4.394,1007 4.956,1008 3.641,1009 6.567,1010 4.323,1011 6.1,1012 1.26,1013 7.311,1014 3.118,1015 3.892,1016 4.605,1017 2.218,1018 7.479,1019 3.823,1020 7.393,1021 1,1022 8.969,1023 2.917,1024 5.974,1025 7.098,1026 6.045,1027 10.602,1028 5.85,1029 8.721,1030 1,1031 10.692,1032 2.47,1033 6.33,1034 7.569,1035 5.197,1036 12.385,1037 6.2,1038 10.082,1039 0.694,1040 12.457,1041 2.136,1042 7.847,1043 9.512,1044 8.676,1045 15.02,1046 7.677,1047 11.467,1048 0.217,1049 14.252,1050 1.62,1051 8.608,1052 10.381,1053 8.181,1054 17.16,1055 8.419,1056 12.869,1057 -0.114,1058 16.067,1059 0.548,1060 9.893,1061 12.067,1062 11.336,1063 19.64,1064 9.67,1065 3.209,1066 -0.556,1067 17.898,1068 -0.291,1069 10.852,1070 13.151,1071 11.091,1072 21.934,1073 10.6,1074 2.782,1075 11.266,1076 19.741,1077 -1.294,1078 12.042,1079 14.702,1080 14.002,1081 24.366,1082 11.758,1083 2.523,1084 8.959,1085 21.594,1086 4.086,1087 13.099,1088 15.91,1089 13.952,1090 26.728,1091 12.781,1092 2.463,1093 7.816,1094 23.455,1095 3.771,1096 14.256,1097 17.387,1098 16.67,1099 29.147,1100 13.904,1101 2.124,1102 6.995,1103 25.323,1104 3.444,1105 15.36,1106 18.668,1107 16.779,1108 31.539,1109 14.972,1110 1.533,1111 6.294,1112 27.198,1113 3.196,1114 16.509,1115 20.104,1116 19.34,1117 33.955,1118 16.085,1119 1.478,1120 3.648,1121 29.077,1122 2.474,1123 17.638,1124 21.43,1125 19.584,1126 36.362,1127 17.176,1128 6985,1129 12076,1130 19.879,1131 31.108,1132 43.469,1133 46.803,1134 44.121,1135 43.066,1136 43.158,1137 57.282,1138 14.991,1139 122.258,1140 41.432,1141 5.392,1142 6.586,1143 6.611,1144 5.303,1145 5.209,1146 7.086,1147 7.55,1148 18.627,1149 5.1,1150 9.227,1151 1.499,1152 1.614,1153 1.521,1154 1.485,1155 1.488,1156 1.975,1157 0.517,1158 4.216,1159 1.429,1160 4.046,1161 4.06,1162 4.093,1163 4,1164 7.475,1165 3.988,1166 3.864,1167 3.903,1168 3.835,1169 3.776,1170 6.351,1171 3.772,1172 3.822,1173 3.842,1174 3.766,1175 3.765,1176 4.906,1177 3.762,1178 3.362,1179 3.363,1180 3.572,1181 3.297,1182 4.86,1183 3.23,1184 3.26,1185 3.292,1186 3.281,1187 3.089,1188 4.632,1189 3.099,1190 3.12,1191 3.15,1192 3.002,1193 2.929,1194 4.242,1195 2.935,1196 3.007,1197 3.065,1198 2.876,1199 2.886,1200 3.944,1201 2.881,1202 2.76,1203 2.846,1204 2.631,1205 2.629,1206 3.806,1207 2.616,1208 0.155,1209 0.158,1210 0.235,1211 0.144,1212 0.111,1213 4.488,1214 0.141,1215 4.586,1216 0.133,1217 6.809,1218 0.388,1219 4.175,1220 0.107,1221 3.209,1222 4.086,1223 3.863,1224 11.266,1225 3.1,1226 1.963,1227 1.948,1228 2.043,1229 2.018,1230 1.282,1231 2.034,1232 1.87,1233 1.853,1234 1.968,1235 1.968,1236 1.1,1237 1.969,1238 1.839,1239 1.804,1240 1.953,1241 1.956,1242 1.064,1243 1.96,1244 1.297,1245 1.282,1246 1.453,1247 1.504,1248 0.678,1249 1.471,1250 1.212,1251 1.181,1252 1.417,1253 1.387,1254 0.606,1255 1.434,1256 1.074,1257 1.035,1258 1.296,1259 1.3,1260 0.487,1261 1.293,1262 0.986,1263 0.945,1264 1.177,1265 1.177,1266 0.176,1267 1.204,1268 0.781,1269 0.719,1270 1.074,1271 0.982,1272 0.136,1273 1.006,1274 4.078,1276 5.389,1278 6.903,1279 2.708,1280 8.507,1281 5.38,1282 10.158,1289 9.39,1290 1.267,1292 5.973,1293 1.757,1294 0.003,1300 29.567,1301 66.849,1302 145.137,1303 192.045,1304 220.574,1305 227.329,1306 229.329,1307 40.953,1308 7.656,1309 59.42,1310 84.72,1311 25,1312 12.52,1313 4.322,1314 3.459,1315 37.632,1316 80,1317 96,1318 0.221,1319 183.276,1320 319.2,1321 438.953,1322 22481,1324 17.933,1325 0.69,1326 0.568,1327 18.286,1328 14.778,1329 12.72,1330 0.439,1331 0.323,1332 8.317,1333 11.927,1334 8.029,1335 6.621,1336 13.174,1337 9.354,1338 11.272,1339 0.282,1340 0.18,1341 11.796,1342 7.191,1343 9.64,1344 0.179,1345 0.106,1346 10.397,1347 5.741,1348 8.027,1349 0.113,1350 0.062,1351 8.899,1352 4.408,1353 6.916,1354 0.072,1355 0.035,1356 7.812,1357 3.357,1358 0.333,1359 83.426,1360 0.224,1361 24.522,1362 0.65,1363 138,1364 404.126,1365 169.641,1366 411.563,1367 556.46,1368 386,1369 163,1370 383.948,1371 193.521,1372 403.243,1373 592.01,1374 378,1375 8.199} {0 CHEMBL408,1 1.547,2 13.387,3 5.764,4 33.22,5 120.778,6 7.614,7 0.353,8 4.153,9 4.25,10 3.768,11 3.729,12 5.242,13 3.686,14 4.719,15 4.87,16 4.231,17 4.15,18 5.775,19 4.093,20 4.985,21 5.126,22 4.276,23 4.302,24 6.088,25 4.238,26 5.149,27 5.345,28 4.136,29 4.327,30 6.214,31 4.215,32 5.147,33 5.384,34 4.055,35 4.297,36 6.079,37 4.152,38 5.034,39 5.263,40 3.925,41 4.199,42 5.979,43 4.056,44 5.019,45 5.289,46 3.738,47 4.032,48 5.91,49 3.873,50 4.807,51 5.097,52 3.583,53 3.801,54 5.726,55 3.653,56 0.053,57 0.773,58 12.461,59 6.149,60 11.454,61 7.308,62 0.277,63 1.305,64 26.744,65 10.785,66 32.003,67 13.135,68 0.477,69 1.6,70 34.719,71 13.623,72 48.957,73 15.932,74 0.693,75 1.806,76 40.294,77 15.311,78 102.212,79 19.066,80 0.641,81 1.816,82 43.778,83 16.144,84 80.073,85 20.778,86 0.386,87 1.656,88 37.543,89 14.322,90 61.361,91 18.639,92 0.486,93 1.546,94 38.538,95 13.51,96 67.617,97 18.294,98 0.763,99 1.202,100 32.962,101 10.861,102 82.619,103 14.687,104 50,105 51,106 0.253,107 0.577,108 0.77,109 0.806,110 0.82,111 0.86,112 3.471,113 0.996,114 -3.92,115 -3.88,116 -3.68,118 41.4,119 4,120 3,124 1,126 1,129 1,140 4,141 5,142 3,154 1,155 1,168 12,172 7,175 2,177 3,180 15,185 1,186 10,191 5,194 15,197 1,198 6,203 3,206 12,210 8,213 1,215 3,218 13,222 9,227 2,229 9,234 6,239 1,242 8,246 1,247 1,250 2,255 13,258 1,267 13,270 1567,271 20.154,272 20.154,273 20.154,274 20.154,275 20.154,276 18.155,277 22.268,278 11.252,279 20.607,280 16.655,281 16.655,282 16.655,283 16.655,284 16.655,285 13.623,286 24.055,287 5.308,288 17.432,289 4.311,290 2.334,291 1.152,292 0.932,293 0.85,294 0.604,295 4.158,300 1,301 896,302 3.391,305 98.873,306 283.84,310 151.883,313 2.117,314 37.776,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 67.5,326 415,327 4.666,328 4.838,329 7.081,330 4.358,331 3.401,332 4.4,333 4.464,334 12.181,335 3.261,336 4.249,337 3.711,338 6.813,339 4.095,340 3.126,341 3.65,342 2.024,343 11.087,344 3.01,345 4.145,346 3.709,347 6.15,348 3.89,349 2.946,350 3.332,351 0.864,352 9.095,353 2.777,354 3.981,355 3.362,356 5.9,357 3.577,358 2.609,359 3.281,360 0.86,361 7.798,362 2.518,363 3.667,364 3.13,365 5.842,366 3.348,367 2.349,368 3.026,369 0.86,370 7.54,371 2.346,372 3.617,373 2.879,374 5.475,375 3.258,376 2.301,377 2.919,379 7.327,380 2.191,381 3.474,382 2.633,383 5.131,384 3.127,385 2.172,386 2.741,388 6.377,389 2.057,390 3.264,391 2.612,392 4.747,393 2.819,394 1.833,395 2.377,397 5.07,398 1.757,399 2.507,400 2.484,401 4.178,402 2.204,403 1.277,404 1.5,406 3.523,407 1.151,408 2.5,409 1.595,410 4.128,411 2.122,412 1.155,413 1.448,415 3.056,416 1.11,417 2.221,418 1.553,419 3.803,420 2,421 1,422 1.206,424 2.275,425 1,426 1.922,427 1.35,428 3.61,429 1.692,430 0.807,431 0.873,433 2.023,434 0.704,435 1.775,436 1.176,437 3.414,438 1.571,439 0.626,440 0.69,442 1.55,443 0.586,444 1.433,445 1,446 3.327,447 1.271,448 0.32,449 0.343,451 0.736,452 0.302,453 1.213,454 0.908,455 2.979,456 0.977,457 0.05,458 0.055,460 0.131,461 0.045,462 14.9,463 0.481,464 1.093,465 0.035,466 35.75,467 1.153,468 16.5,469 0.532,470 19.25,471 0.621,472 33.808,473 1.091,474 34.3,475 0.591,476 26.333,477 0.849,478 6.499,479 0.21,480 8.166,481 0.263,482 0.201,483 0.034,484 0.369,487 0.778,488 1.111,489 0.771,490 0.991,491 0.68,492 0.948,493 0.712,494 1.018,495 0.766,496 1.007,497 0.534,498 0.857,499 1.211,500 1.183,501 1.106,502 1.204,503 0.939,504 1.148,505 1.24,506 1.025,507 0.999,508 0.971,509 0.924,510 1.124,511 0.889,512 0.93,513 0.919,514 0.917,515 0.705,516 0.982,517 0.831,518 1.114,519 0.964,520 1.079,521 0.669,522 1.136,523 0.838,524 0.939,525 0.752,526 0.887,527 0.706,528 0.968,529 0.84,530 0.473,531 0.595,532 0.464,533 0.733,534 0.577,535 8.5,536 0.228,537 4.667,538 3.042,539 2.653,540 1.25,541 0.657,542 0.49,543 0.339,544 0.272,545 14095,546 39867,547 2.02,548 46.6,549 11,550 7,553 2,555 7,558 1.73,559 1.833,560 3.645,561 0.193,567 89.732,568 1.547,569 3.524,570 4.706,571 4.926,572 5.008,573 5.254,574 3.079,575 4.632,576 4.927,577 3.867,578 1798.03,579 8.569,580 26502.9,585 339.763,586 1.705,587 4.848,588 0.25,589 0.009,590 0.092,591 0.057,592 0.06,593 0.03,594 0.018,595 0.018,596 0.013,597 0.01,598 0.558,599 0.33,600 1,601 0.645,602 163.601,603 -0.051,604 0.017,605 0.054,606 0.051,607 -0.072,608 0.048,609 0.119,610 0.051,611 0.212,612 0.059,613 0.084,614 0.148,615 -0.073,616 -0.162,617 -0.163,618 -0.193,619 -0.065,620 -0.183,621 -0.13,622 -0.074,623 -0.159,624 -0.075,625 -0.034,626 -0.169,627 -0.013,628 0.006,630 0.028,631 0.004,632 0.015,633 -0.046,634 -0.157,635 -0.091,636 -0.147,637 -0.005,638 -0.141,639 0.002,640 -0.044,641 0.09,642 -0.024,643 0.006,644 0.021,645 0.159,646 0.389,647 0.303,648 0.396,649 0.085,650 0.408,651 1.951,652 4.736,653 0.677,654 34.085,655 1.005,656 1.118,657 2.691,658 7.241,659 0.669,660 3.555,661 3.951,662 4.22,663 4.454,664 4.691,665 4.736,666 4.787,667 4.898,668 4.984,669 4.963,670 7.858,671 0.632,672 441.59,673 3.555,674 5.142,675 6.009,676 6.913,677 7.796,678 8.7,679 9.59,680 10.495,681 11.389,682 12.294,683 1.7,690 1,699 4,704 8,706 12,721 1,722 2,724 58,726 14,727 2,728 34,730 61,731 24,733 12,734 8,735 4,739 4,740 5,745 4,748 3,749 1,751 4,753 14,754 10,755 1,756 2,761 2,765 2,772 27,773 6,774 2,775 7,776 1,779 1,782 1,784 0.75,785 5,801 1,802 3,806 1,829 1,832 3,834 1,836 4,840 31,845 1,846 4,847 1,848 2,849 1,850 1,852 1,862 8.6,864 1,865 2,867 2,869 16.917,870 11.7,871 6.569,872 3.494,874 2.445,875 1.309,876 0.938,877 6.08,878 10.347,879 3.761,880 4.369,881 4.856,882 5.339,883 5.832,884 5.963,885 6.083,886 6.344,887 6.59,888 6.667,889 0.889,890 53,891 11.558,893 5.061,894 7.841,895 22.033,897 18.672,899 2.341,900 72.583,904 294.278,905 151.811,906 18.011,908 114.973,910 32.22,911 119.591,912 409.251,913 18.011,914 35.301,915 30.207,916 37.905,917 97.678,918 48.415,919 3.07,920 326.497,922 294.278,923 137.602,924 114.973,925 32.22,927 211.88,928 197.371,931 65.508,932 72.094,934 32.22,935 294.278,936 132.984,937 151.811,940 294.278,941 78.605,942 73.206,943 18.011,944 114.973,945 294.278,946 132.984,947 151.811,949 0.608,950 0.36,951 0.18,952 0.099,953 26,954 13,955 0.082,956 5,957 1,958 1.095,959 4.167,960 280.282,961 0.095,962 21,963 149.58,964 1,968 22.191,969 8.494,970 4.475,972 132.984,973 7.606,978 6.731,980 60.694,981 579.072,982 42,987 23.048,991 -0.514,994 58.302,995 64.863,996 0.264,997 0.602,998 0.803,999 0.841,1000 0.855,1001 0.897,1002 5.063,1003 1.833,1004 6.061,1005 6.377,1006 4.635,1007 5.056,1008 3.909,1009 6.942,1010 4.548,1011 6.302,1012 1.277,1013 7.681,1014 5.07,1015 4.511,1016 5.094,1017 3.087,1018 8.127,1019 4.395,1020 7.648,1021 1.155,1022 9.401,1023 3.523,1024 6.354,1025 7.231,1026 6.585,1027 11.164,1028 6.187,1029 9.022,1030 1,1031 11.179,1032 3.056,1033 6.986,1034 7.997,1035 6.32,1036 13.115,1037 6.777,1038 10.422,1039 0.807,1040 12.992,1041 2.275,1042 8.377,1043 9.707,1044 9.486,1045 15.753,1046 8.127,1047 11.84,1048 0.626,1049 14.831,1050 2.023,1051 9.321,1052 10.801,1053 9.546,1054 18.008,1055 9.025,1056 13.273,1057 0.32,1058 16.688,1059 1.55,1060 10.564,1061 12.361,1062 12.419,1063 20.531,1064 10.229,1065 3.401,1066 0.05,1067 18.559,1068 0.736,1069 11.645,1070 13.629,1071 12.718,1072 22.911,1073 11.263,1074 3.126,1075 12.181,1076 20.441,1077 0.131,1078 12.843,1079 15.131,1080 15.361,1081 25.4,1082 12.421,1083 2.946,1084 11.087,1085 22.333,1086 4.4,1087 13.984,1088 16.494,1089 15.847,1090 27.834,1091 13.517,1092 2.609,1093 9.095,1094 24.233,1095 3.65,1096 15.171,1097 17.975,1098 18.308,1099 30.315,1100 14.664,1101 2.349,1102 7.798,1103 26.139,1104 3.332,1105 16.341,1106 19.39,1107 18.945,1108 32.775,1109 15.79,1110 2.301,1111 7.54,1112 28.051,1113 3.281,1114 17.53,1115 20.865,1116 21.26,1117 35.254,1118 16.939,1119 2.172,1120 7.327,1121 29.968,1122 3.026,1123 18.715,1124 22.309,1125 22.021,1126 37.727,1127 18.081,1128 13420,1129 22807,1130 21.789,1131 38.824,1132 52.253,1133 56.832,1134 55.2,1135 51.851,1136 51.946,1137 63.681,1138 18.145,1139 159.538,1140 49.629,1141 5.612,1142 6.838,1143 6.495,1144 5.472,1145 5.401,1146 7.4,1147 8.622,1148 20.181,1149 5.261,1150 19.727,1151 1.537,1152 1.672,1153 1.624,1154 1.525,1155 1.528,1156 1.873,1157 0.534,1158 4.692,1159 1.46,1160 4.05,1161 4.066,1162 4.064,1163 3.973,1164 7.448,1165 3.976,1166 3.939,1167 3.96,1168 3.989,1169 3.878,1170 7.408,1171 3.869,1172 3.736,1173 3.753,1174 3.819,1175 3.623,1176 6.468,1177 3.595,1178 3.663,1179 3.699,1180 3.564,1181 3.546,1182 4.88,1183 3.537,1184 3.358,1185 3.427,1186 3.201,1187 3.229,1188 4.752,1189 3.212,1190 3.228,1191 3.286,1192 3.118,1193 3.043,1194 4.372,1195 3.042,1196 3.147,1197 3.216,1198 3.013,1199 2.97,1200 4.177,1201 2.964,1202 3.068,1203 3.172,1204 2.948,1205 2.863,1206 4.018,1207 2.832,1208 0.137,1209 0.142,1210 0.208,1211 0.128,1212 0.1,1213 4.666,1214 0.129,1215 4.838,1216 0.131,1217 7.081,1218 0.358,1219 4.358,1220 0.096,1221 3.401,1222 4.4,1223 4.464,1224 12.181,1225 3.261,1226 1.997,1227 1.982,1228 2.102,1229 2.098,1230 1.389,1231 2.098,1232 1.915,1233 1.893,1234 2.027,1235 2.002,1236 1.234,1237 2.012,1238 1.67,1239 1.629,1240 1.88,1241 1.827,1242 1.138,1243 1.845,1244 1.481,1245 1.457,1246 1.682,1247 1.684,1248 0.887,1249 1.661,1250 1.379,1251 1.314,1252 1.626,1253 1.568,1254 0.827,1255 1.607,1256 1.226,1257 1.213,1258 1.562,1259 1.487,1260 0.701,1261 1.487,1262 1.205,1263 1.134,1264 1.522,1265 1.429,1266 0.611,1267 1.464,1268 1.115,1269 1.016,1270 1.332,1271 1.373,1272 0.461,1273 1.429,1274 4.234,1276 5.609,1277 2.398,1278 7.169,1279 4.727,1280 8.814,1281 6.763,1282 10.508,1284 7.881,1289 10.344,1290 2.53,1291 2.313,1292 12.445,1293 1.037,1294 -0.372,1296 -0.467,1300 36.631,1301 89.732,1302 204.405,1303 272.969,1304 285.724,1305 290.479,1306 304.743,1307 73.578,1308 7.902,1309 84.86,1310 110.16,1311 23,1312 12.815,1313 3.907,1314 3.17,1315 49.882,1316 149,1317 139,1318 0.164,1319 225.9,1320 404.86,1321 542.957,1322 32147,1324 22.336,1325 0.721,1326 0.614,1327 22.69,1328 19.02,1329 14.665,1330 0.431,1331 0.332,1332 10.361,1333 13.708,1334 9.857,1335 8.154,1336 15.074,1337 11.285,1338 14.293,1339 0.28,1340 0.192,1341 15.021,1342 9.779,1343 12.241,1344 0.183,1345 0.108,1346 12.961,1347 7.23,1348 9.482,1349 0.112,1350 0.058,1351 10.251,1352 4.956,1353 7.664,1354 0.071,1355 0.032,1356 8.226,1357 3.419,1358 0.265,1359 95.885,1360 0.214,1361 29.531,1362 0.428,1363 170,1364 502.285,1365 214.29,1366 495.402,1367 668.68,1368 462,1369 203,1370 471.684,1371 240.769,1372 488.721,1373 719.77,1374 458,1375 5.528} {0 CHEMBL408135,1 1.678,2 19.462,3 6.882,4 47.363,5 203.891,6 8.182,7 0.483,8 4.603,9 4.709,10 4.28,11 4.191,12 5.714,13 4.159,14 5.15,15 5.312,16 4.675,17 4.594,18 6.214,19 4.542,20 5.401,21 5.59,22 4.83,23 4.765,24 6.45,25 4.701,26 5.466,27 5.636,28 4.92,29 4.827,30 6.594,31 4.759,32 5.489,33 5.655,34 4.875,35 4.873,36 6.558,37 4.794,38 5.589,39 5.778,40 4.928,41 4.96,42 6.588,43 4.84,44 5.645,45 5.878,46 4.763,47 4.907,48 6.585,49 4.761,50 5.564,51 5.817,52 4.597,53 4.732,54 6.524,55 4.597,56 0.114,57 1.322,58 16.381,59 8.313,60 14.639,61 10.195,62 0.492,63 2.193,64 34.979,65 14.173,66 42.735,67 17.783,68 0.637,69 2.743,70 51.934,71 18.518,72 65.904,73 22.736,74 0.809,75 2.935,76 56.899,77 19.326,78 95.881,79 22.75,80 0.811,81 2.964,82 58.249,83 21.122,84 85.412,85 24.349,86 0.819,87 3.214,88 66.803,89 24.518,90 76.791,91 30.406,92 0.884,93 3.316,94 74.348,95 26.175,96 92.986,97 34.611,98 0.915,99 2.934,100 70.379,101 23.405,102 95.651,103 31.593,104 46,105 82,106 0.246,107 0.579,108 0.783,109 0.866,110 0.888,111 0.888,112 3.973,113 0.961,114 -6.51,115 -6.34,116 -5.88,118 43.3,119 3,120 4,124 4,126 1,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 2,157 2,162 2,168 16,171 4,172 18,180 19,185 2,186 22,194 13,197 2,198 30,206 18,209 2,210 17,218 23,221 3,222 12,229 29,233 7,234 12,242 20,246 3,247 16,255 15,258 4,259 19,267 11,270 6778,271 35.681,272 35.681,273 35.681,274 35.681,275 35.681,276 31.706,277 36.937,278 21.188,279 36.638,280 28.607,281 28.607,282 28.607,283 28.607,284 28.607,285 22.42,286 45.85,287 9.99,288 30.093,289 4.813,290 2.534,291 1.144,292 0.575,293 0.425,294 0.425,295 4.688,297 1,301 2232,302 4.95,305 205.027,306 619.527,307 152.148,309 172.318,310 427.551,313 3.115,314 51.6,317 0.25,318 0.17,319 0.33,320 0.5,321 0.5,322 0.17,323 0.5,324 0.35,325 111.833,326 1012,327 4.777,328 3.999,329 7.189,330 4.378,331 3.436,332 4.518,333 2.443,334 12.683,335 3.247,336 4.399,337 3.72,338 6.688,339 4.038,340 3.06,341 4.003,342 2.373,343 10.743,344 3.006,345 4.361,346 3.681,347 6.507,348 3.967,349 3.011,350 3.99,351 1.23,352 10.195,353 2.881,354 4.26,355 3.603,356 6.427,357 3.91,358 2.947,359 3.839,360 0.795,361 9.859,362 2.817,363 4.158,364 3.225,365 6.311,366 3.763,367 2.802,368 3.653,369 0.521,370 9.42,371 2.669,372 3.707,373 3.145,374 5.734,375 3.35,376 2.373,377 3.143,378 0.286,379 7.469,380 2.297,381 3.655,382 2.938,383 5.576,384 3.306,385 2.345,386 2.962,388 7.076,389 2.261,390 3.641,391 2.737,392 5.298,393 3.268,394 2.325,395 2.825,397 6.483,398 2.178,399 3.474,400 2.571,401 5.099,402 3.121,403 2.154,404 2.689,406 6.066,407 2.063,408 3.278,409 2.33,410 5.029,411 2.863,412 1.92,413 2.493,415 5.814,416 1.803,417 3.149,418 2.153,419 4.977,420 2.726,421 1.798,422 2.349,424 5.293,425 1.666,426 2.972,427 1.997,428 4.654,429 2.687,430 1.749,431 2.1,433 4.508,434 1.617,435 2.872,436 1.921,437 4.186,438 2.491,439 1.543,440 2.028,442 3.914,443 1.463,444 2.841,445 1.84,446 4.181,447 2.468,448 1.511,449 1.947,451 3.381,452 1.421,453 2.794,454 1.825,455 3.908,456 2.35,457 1.414,458 1.834,460 3.345,461 1.258,462 25.181,463 0.484,464 1.182,465 0.023,466 66,467 1.269,468 32,469 0.615,470 34,471 0.654,472 59.453,473 1.143,474 54.619,475 0.607,476 60.351,477 1.161,478 12.74,479 0.245,480 12.593,481 0.242,482 0.114,484 0.349,487 0.634,488 1.23,489 0.653,490 0.985,491 0.543,492 0.919,493 0.805,494 1.081,495 0.727,496 0.879,497 0.598,498 0.854,499 1.113,500 1.019,501 0.918,502 0.885,503 0.922,504 0.831,505 1.351,506 1.092,507 1.115,508 1.028,509 1.471,510 0.955,511 1.312,512 1.057,513 1.198,514 1.086,515 1.299,516 1.017,517 0.781,518 1.119,519 1.088,520 1.136,521 0.709,522 1.142,523 0.594,524 1.034,525 1.124,526 1.132,527 0.569,528 1.13,529 0.691,530 0.99,531 0.97,532 1.014,533 0.684,534 1.002,535 8,536 0.403,537 6.222,538 4.292,539 3.004,540 2.136,541 1.542,542 0.981,543 0.729,544 0.575,545 58066,546 161400,547 2.124,548 42.2,549 2,550 19,552 2,554 5,555 10,558 1.86,559 2,560 4.107,561 -0.746,567 151.063,568 1.678,569 3.958,570 5.347,571 5.917,572 6.067,573 6.067,574 3.586,575 5.34,576 5.666,577 4.388,578 5818.18,579 10.087,580 125195,585 584.267,586 1.37,587 5.637,588 0.138,589 0.006,590 0.076,591 0.046,592 0.031,593 0.022,594 0.017,595 0.012,596 0.01,597 0.008,598 0.367,599 0.17,600 0.38,601 1.456,602 319.53,603 0.075,604 -0.102,605 0.06,606 -0.028,607 0.015,608 -0.004,609 0.079,610 0.002,611 0.11,612 0.086,613 0.065,614 0.083,615 -0.104,616 0.045,617 0.064,618 0.119,619 -0.038,620 0.122,621 -0.172,622 -0.002,623 -0.047,624 0.014,625 -0.148,626 -0.022,627 -0.2,628 0.016,629 -0.16,630 -0.019,631 -0.189,632 -0.068,633 0.03,634 -0.094,635 -0.053,636 -0.087,637 -0.025,638 -0.145,639 0.111,640 -0.054,641 -0.057,642 -0.109,643 0.063,644 -0.098,645 0.129,646 -0.051,647 0.051,648 -0.032,649 0.118,650 0.032,651 1.876,652 6.971,653 0.673,654 85.629,655 1.006,656 1.12,657 5.282,658 27.901,659 0.695,660 4.078,661 4.419,662 4.754,663 5.075,664 5.352,665 5.572,666 5.832,667 6.064,668 6.248,669 6.404,670 11.004,671 0.661,672 736.36,673 4.078,674 5.638,675 6.515,676 7.414,677 8.314,678 9.227,679 10.141,680 11.064,681 11.987,682 12.916,683 7.8,690 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,713 1,723 1,724 90,726 32,727 2,728 58,730 96,731 39,733 23,734 4,735 8,736 3,739 7,740 13,741 1,745 3,748 2,751 5,753 27,754 12,756 4,761 2,764 2,765 4,772 38,773 10,775 13,776 2,779 7,784 0.571,785 4,795 1,801 2,802 4,803 1,805 1,806 2,819 1,832 4,834 1,836 3,837 1,840 52,846 8,848 2,850 1,851 1,856 1,859 1,861 1,862 4.4,865 2,867 2,869 26,870 17.46,871 11.472,872 5.833,874 5.317,875 1.526,876 0.994,877 11.141,878 15.419,879 4.344,880 4.942,881 5.563,882 6.165,883 6.679,884 7.077,885 7.572,886 8.009,887 8.416,888 8.775,889 0.923,890 93,891 19.288,893 8.29,894 7.698,895 36.981,897 30.746,899 2.198,900 114.278,904 447.302,905 241.112,906 91.32,907 39.149,908 72.509,910 31.278,911 209.835,912 558.959,913 91.32,914 26.476,915 26.659,916 94.762,917 146.009,918 101.942,919 1.358,920 455.037,921 39.149,922 447.302,923 301.155,924 72.509,925 70.426,927 329.591,928 190.22,931 114.899,932 136.144,933 89.26,934 31.278,935 447.302,936 163.829,937 280.261,940 447.302,941 101.779,942 144.356,944 197.954,945 447.302,946 163.829,947 280.261,949 0.578,950 0.347,951 0.194,952 0.105,953 39,954 18,955 0.125,956 12,957 3,958 1.171,959 5.785,960 597.561,961 0.171,962 35,963 290.423,964 1,968 35.989,969 16.098,970 7.585,972 161.93,973 22.405,974 13.145,977 1.662,978 9.591,979 2.107,981 891.392,982 76,987 25.595,990 9.608,991 1.194,994 90.56,995 100.833,996 0.259,997 0.61,998 0.824,999 0.911,1000 0.935,1001 0.935,1002 5.598,1003 2.325,1004 6.503,1005 7.076,1006 5.106,1007 5.631,1008 3.296,1009 7.362,1010 5.011,1011 6.806,1012 2.154,1013 8.088,1014 6.483,1015 4.691,1016 5.407,1017 2.283,1018 8.368,1019 4.546,1020 8.121,1021 1.92,1022 9.779,1023 6.066,1024 6.735,1025 7.817,1026 4.744,1027 11.538,1028 6.556,1029 9.476,1030 1.798,1031 11.536,1032 5.814,1033 7.194,1034 8.471,1035 4.284,1036 13.42,1037 6.963,1038 10.867,1039 1.749,1040 13.335,1041 5.293,1042 8.682,1043 10.32,1044 6.404,1045 16.113,1046 8.419,1047 12.285,1048 1.543,1049 15.163,1050 4.508,1051 9.537,1052 11.383,1053 6.163,1054 18.347,1055 9.219,1056 13.723,1057 1.511,1058 17.012,1059 3.914,1060 10.818,1061 13.006,1062 8.123,1063 20.893,1064 10.464,1065 3.436,1066 1.414,1067 18.877,1068 3.381,1069 11.854,1070 14.269,1071 7.994,1072 23.279,1073 11.443,1074 3.06,1075 12.683,1076 20.755,1077 3.345,1078 13.063,1079 15.796,1080 9.86,1081 25.786,1082 12.609,1083 3.011,1084 10.743,1085 22.643,1086 4.518,1087 14.182,1088 17.16,1089 9.802,1090 28.24,1091 13.672,1092 2.947,1093 10.195,1094 24.54,1095 4.003,1096 15.371,1097 18.649,1098 11.606,1099 30.743,1100 14.812,1101 2.802,1102 9.859,1103 26.443,1104 3.99,1105 16.53,1106 20.066,1107 11.6,1108 33.231,1109 15.914,1110 2.373,1111 9.42,1112 28.353,1113 3.839,1114 17.718,1115 21.542,1116 13.355,1117 35.74,1118 17.05,1119 2.345,1120 7.469,1121 30.268,1122 3.653,1123 18.898,1124 22.989,1125 13.391,1126 38.247,1127 18.173,1128 54118,1129 90418,1130 39.183,1131 62.546,1132 88.699,1133 91.821,1134 90.922,1135 87.606,1136 87.349,1137 112.993,1138 15.297,1139 255.597,1140 83.037,1141 5.725,1142 5.999,1143 7.017,1144 5.544,1145 5.436,1146 7.518,1147 4.816,1148 20.398,1149 5.247,1150 26.056,1151 1.529,1152 1.583,1153 1.568,1154 1.51,1155 1.506,1156 1.948,1157 0.264,1158 4.407,1159 1.432,1160 4.136,1161 4.167,1162 4.33,1163 4.086,1164 7.433,1165 4.058,1166 3.984,1167 4.013,1168 3.999,1169 3.914,1170 7.427,1171 3.914,1172 3.874,1173 3.9,1174 3.949,1175 3.828,1176 5.102,1177 3.81,1178 3.844,1179 3.891,1180 3.822,1181 3.721,1182 5.004,1183 3.728,1184 3.772,1185 3.812,1186 3.754,1187 3.631,1188 4.939,1189 3.65,1190 3.746,1191 3.788,1192 3.629,1193 3.578,1194 4.798,1195 3.577,1196 3.528,1197 3.579,1198 3.478,1199 3.302,1200 4.637,1201 3.313,1202 3.454,1203 3.523,1204 3.384,1205 3.277,1206 4.607,1207 3.283,1208 0.082,1209 0.069,1210 0.124,1211 0.075,1212 0.059,1213 4.777,1214 0.078,1215 3.999,1216 0.042,1217 7.189,1218 0.219,1219 4.378,1220 0.056,1221 3.436,1222 4.518,1223 2.443,1224 12.683,1225 3.247,1226 1.96,1227 1.938,1228 2.047,1229 2.057,1230 1.292,1231 2.054,1232 1.921,1233 1.901,1234 2.001,1235 1.997,1236 1.279,1237 2.003,1238 1.814,1239 1.779,1240 1.953,1241 1.948,1242 1.137,1243 1.949,1244 1.75,1245 1.715,1246 1.933,1247 1.906,1248 1.1,1249 1.918,1250 1.711,1251 1.662,1252 1.886,1253 1.863,1254 1.039,1255 1.875,1256 1.67,1257 1.626,1258 1.826,1259 1.85,1260 0.941,1261 1.846,1262 1.544,1263 1.498,1264 1.8,1265 1.741,1266 0.938,1267 1.758,1268 1.483,1269 1.42,1270 1.722,1271 1.726,1272 0.862,1273 1.732,1274 4.762,1276 6.098,1277 3.045,1278 7.628,1279 5.533,1280 9.25,1281 7.751,1282 10.926,1284 5.778,1285 6.755,1290 4.091,1292 10.665,1294 -0.217,1295 1.9,1300 59.452,1301 151.063,1302 356.207,1303 481.273,1304 532.492,1305 546.002,1306 546.002,1307 105.717,1308 10.102,1309 124.16,1310 152.4,1311 41,1312 13.42,1313 5.044,1314 4.248,1315 77.727,1316 347,1317 446,1318 0.108,1319 366.361,1320 643.24,1321 885.681,1322 455617,1323 1.1,1324 36.191,1325 0.696,1326 0.592,1327 37.045,1328 30.785,1329 25.334,1330 0.437,1331 0.32,1332 17.274,1333 23.671,1334 16.735,1335 13.801,1336 26.031,1337 18.586,1338 22.554,1339 0.275,1340 0.172,1341 23.54,1342 14.08,1343 19.774,1344 0.172,1345 0.093,1346 20.927,1347 10.64,1348 17.086,1349 0.107,1350 0.052,1351 18.485,1352 8.19,1353 13.986,1354 0.067,1355 0.028,1356 15.347,1357 5.984,1358 0.175,1359 165.669,1360 0.16,1361 44.596,1362 0.283,1363 280,1364 829.522,1365 346.869,1366 847.11,1367 1163.43,1368 796,1369 337,1370 836.619,1371 400.523,1372 863.236,1373 1274.66,1374 816,1375 7.143} {0 CHEMBL40824,1 1.512,2 13.645,3 2.255,4 5.083,5 119.729,6 7.059,7 0.515,8 4.173,9 4.288,10 3.691,11 3.643,12 5.258,13 3.63,14 4.715,15 4.899,16 3.97,17 3.988,18 5.729,19 3.959,20 4.865,21 5.038,22 3.995,23 4.117,24 5.916,25 4.041,26 5.042,27 5.281,28 3.898,29 4.095,30 6.007,31 3.993,32 4.947,33 5.182,34 3.848,35 4.056,36 5.841,37 3.951,38 4.925,39 5.167,40 3.826,41 4.06,42 5.785,43 3.936,44 4.922,45 5.174,46 3.834,47 4.035,48 5.819,49 3.921,50 4.838,51 5.067,52 3.828,53 4.028,54 5.733,55 3.931,56 0.009,57 0.833,58 13.136,59 5.516,60 10.398,61 7.347,62 0.44,63 1.268,64 25.461,65 8.33,66 32.074,67 11.263,68 0.369,69 1.424,70 28.878,71 11.027,72 40.96,73 14.711,74 0.566,75 1.529,76 37.129,77 12.079,78 73.304,79 16.776,80 0.459,81 1.435,82 33.21,83 11.323,84 49.321,85 15.772,86 0.423,87 1.445,88 32.01,89 11.474,90 43.238,91 16.379,92 0.497,93 1.43,94 32.429,95 10.969,96 53.122,97 15.841,98 0.336,99 1.372,100 29.105,101 10.165,102 37.47,103 14.371,104 22,105 43,106 0.246,107 0.566,108 0.758,109 0.807,110 0.834,111 0.834,112 3.471,113 0.921,114 -3.22,115 -3.21,116 -3.09,118 40,123 3,124 4,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 6,180 10,185 2,186 10,194 5,197 1,198 9,209 1,210 6,221 2,222 7,233 2,234 9,242 1,247 7,255 4,258 1,259 4,267 8,270 2094,271 21.007,272 21.007,273 21.007,274 21.007,275 21.007,276 18.872,277 24.878,278 12.636,279 21.691,280 16.201,281 16.201,282 16.201,283 16.201,284 16.201,285 12.944,286 26.746,287 5.933,288 17.148,289 4.395,290 2.419,291 1.238,292 0.938,293 0.771,294 0.771,295 4.153,299 1,300 1,301 884,302 4.301,305 109.549,306 253.284,313 2.15,314 25.741,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 67.5,326 423,327 4.241,328 3.664,329 6.284,330 3.913,331 2.92,332 3.791,333 1.2,334 9.192,335 2.896,336 4.035,337 3.061,338 5.594,339 3.635,340 2.695,341 3.635,342 1.151,343 7.728,344 2.582,345 3.958,346 2.924,347 5.479,348 3.597,349 2.642,350 3.49,351 1.151,352 7.335,353 2.477,354 3.788,355 2.731,356 5.352,357 3.436,358 2.464,359 3.133,360 0.86,361 6.953,362 2.388,363 3.493,364 2.655,365 5.112,366 3.173,367 2.248,368 2.767,369 0.293,370 6.285,371 2.073,372 3.358,373 2.425,374 5.027,375 3.092,376 2.154,377 2.422,379 6.063,380 2.003,381 3.091,382 2.088,383 4.812,384 2.802,385 1.847,386 2.21,388 5.014,389 1.758,390 2.583,391 1.912,392 3.508,393 2.142,394 1.252,395 1.611,397 2.712,398 1.112,399 2.5,400 1.799,401 3.438,402 2.004,403 1.131,404 1.5,406 2.495,407 1,408 2.5,409 1.32,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.268,418 1.166,419 3.414,420 2,421 1,422 1.248,424 2.275,425 0.977,426 2.176,427 1,428 3.253,429 1.787,430 0.794,431 0.979,433 1.782,434 0.773,435 2.118,436 1,437 3.01,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.764,445 0.965,446 3,447 1.491,448 0.581,449 0.662,451 1.213,452 0.519,453 1.631,454 0.618,455 2.785,456 1.359,457 0.46,458 0.526,460 0.829,461 0.41,462 14.533,463 0.469,464 0.626,465 0.02,466 38.25,467 1.234,468 18,469 0.581,470 20.25,471 0.653,472 25.222,473 0.814,474 34.667,475 0.578,476 30.534,477 0.985,478 8.231,479 0.266,480 6.816,481 0.22,482 0.126,484 0.261,487 0.83,488 1.556,489 0.822,490 1.312,491 0.659,492 1.102,493 1.448,494 0.809,495 1.028,496 0.776,497 0.908,498 0.809,499 1.054,500 1.266,501 1.136,502 1.324,503 0.923,504 1.264,505 1.34,506 0.945,507 1.074,508 0.977,509 1.655,510 0.986,511 1.162,512 0.977,513 1.04,514 1.01,515 0.939,516 1.01,517 0.726,518 1.076,519 0.954,520 1.105,521 0.535,522 1.077,523 0.829,524 0.951,525 0.905,526 0.937,527 0.719,528 0.934,529 1.02,530 1.025,531 1.001,532 0.98,533 0.668,534 0.985,535 6,536 0.177,537 2.889,538 1.222,539 1.079,540 0.75,541 0.455,542 0.271,543 0.273,544 0.237,545 14100,546 37634,547 2.031,548 48.3,550 26,551 1,552 2,558 1.737,559 1.918,560 3.711,561 -0.767,563 1,567 90.738,568 1.512,569 3.488,570 4.669,571 4.969,572 5.136,573 5.136,574 3.232,575 4.414,576 4.923,577 3.923,578 1824.07,579 8.602,580 28206.3,582 1,585 354.413,586 1.318,587 4.892,588 0.182,589 0.005,590 0.067,591 0.03,592 0.03,593 0.021,594 0.013,595 0.008,596 0.008,597 0.007,598 0.371,599 0.33,600 0.88,601 0.956,602 165.313,603 -0.005,604 -0.333,605 0.072,606 -0.185,607 -0.028,608 -0.067,609 -0.176,610 0.304,611 -0.026,612 0.21,613 -0.077,614 0.137,615 0.019,616 -0.217,617 -0.18,618 -0.267,619 0.043,620 -0.26,621 -0.122,622 -0.014,623 -0.055,624 -0.013,625 -0.148,626 -0.022,627 -0.083,628 -0.022,629 -0.045,630 -0.023,631 -0.082,632 -0.028,633 0.102,634 -0.106,635 0.005,636 -0.099,637 0.046,638 -0.07,639 0.073,640 0.013,641 0.075,642 0.042,643 0.079,644 0.056,645 -0.111,646 -0.013,647 -0.035,648 0.022,649 -0.056,650 0.009,651 1.683,652 5.033,653 0.548,654 36.73,655 1.002,656 1.129,657 1.994,658 3.977,659 0.646,660 3.526,661 3.784,662 3.97,663 4.094,664 4.205,665 4.22,666 4.277,667 4.263,668 4.344,669 4.466,670 8.154,671 0.613,672 423.56,673 3.526,674 5.03,675 5.838,676 6.666,677 7.485,678 8.315,679 9.137,680 9.968,681 10.792,682 11.622,683 5,690 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,713 1,722 1,724 60,726 18,727 2,728 33,730 62,731 24,733 15,734 4,735 8,736 1,739 3,740 3,751 1,753 16,754 8,756 1,761 1,765 1,769 1,772 29,773 6,775 7,778 1,779 3,784 1,785 4,801 1,802 2,831 2,832 3,836 3,840 31,846 4,848 3,850 1,851 1,862 6.7,865 1,866 2,867 1,869 16.167,870 11.517,871 7.056,872 3.24,874 2.103,875 1.298,876 0.937,877 8.651,878 9.172,879 3.773,880 4.28,881 4.761,882 5.184,883 5.527,884 5.55,885 5.669,886 5.612,887 5.792,888 6.101,889 1,890 41,891 11.439,893 4.608,894 7.699,895 21.878,897 16.959,899 2.199,900 68.167,904 341.362,905 165.587,906 21.809,908 58.145,911 165.587,912 399.507,913 21.809,914 27.676,915 19.007,916 84.857,917 100.796,918 36.747,919 11.771,920 306.049,922 341.362,923 187.396,924 58.145,927 341.362,928 36.145,929 22,931 38.572,932 132.038,933 16.786,935 341.362,936 79.954,937 165.587,940 341.362,941 35.388,942 135.223,944 74.93,945 341.362,946 79.954,947 165.587,949 0.568,950 0.324,951 0.155,952 0.077,953 17,954 8,955 0.177,956 11,958 1,959 4.396,960 251.051,962 17,963 139.58,968 23.01,969 11.655,970 7.21,972 78.054,973 20.72,974 4.097,978 3.555,979 1.972,981 586.902,982 42.5,987 12.033,991 -0.016,994 60.101,995 67.73,996 0.256,997 0.591,998 0.79,999 0.841,1000 0.869,1001 0.869,1002 4.972,1003 1.252,1004 5.784,1005 5.014,1006 4.466,1007 4.966,1008 2.366,1009 6.488,1010 4.366,1011 6.13,1012 1.131,1013 7.283,1014 2.712,1015 3.892,1016 4.527,1017 0.325,1018 7.182,1019 3.78,1020 7.391,1021 1,1022 8.875,1023 2.495,1024 5.969,1025 7.022,1026 2.537,1027 10.178,1028 5.795,1029 8.685,1030 1,1031 10.522,1032 2.275,1033 6.217,1034 7.409,1035 0.653,1036 11.672,1037 6.036,1038 10.009,1039 0.794,1040 12.204,1041 2.275,1042 7.709,1043 9.33,1044 2.76,1045 14.154,1046 7.483,1047 11.352,1048 0.618,1049 13.909,1050 1.782,1051 8.333,1052 10.099,1053 1.001,1054 15.994,1055 8.102,1056 12.71,1057 0.581,1058 15.632,1059 1.372,1060 9.578,1061 11.761,1062 3.008,1063 18.295,1064 9.315,1065 2.92,1066 0.46,1067 17.367,1068 1.213,1069 10.394,1070 12.737,1071 1.37,1072 20.308,1073 10.127,1074 2.695,1075 9.192,1076 19.114,1077 0.829,1078 11.524,1079 14.26,1080 3.272,1081 22.541,1082 11.236,1083 2.642,1084 7.728,1085 20.87,1086 3.791,1087 12.442,1088 15.358,1089 1.754,1090 24.645,1091 12.151,1092 2.464,1093 7.335,1094 22.634,1095 3.635,1096 13.52,1097 16.8,1098 3.548,1099 26.855,1100 13.215,1101 2.248,1102 6.953,1103 24.406,1104 3.49,1105 14.494,1106 17.974,1107 2.143,1108 29.007,1109 14.186,1110 2.154,1111 6.285,1112 26.185,1113 3.133,1114 15.549,1115 19.368,1116 3.832,1117 31.212,1118 15.233,1119 1.847,1120 6.063,1121 27.97,1122 2.767,1123 16.555,1124 20.59,1125 2.535,1126 33.391,1127 16.237,1128 13783,1129 22626,1130 21.959,1131 38.733,1132 48.371,1133 49.331,1134 48.782,1135 47.602,1136 47.615,1137 60.803,1138 9.309,1139 127.045,1140 45.09,1141 5.171,1142 5.664,1143 5.9,1144 5,1145 4.92,1146 6.791,1147 2.351,1148 15.626,1149 4.896,1150 15.672,1151 1.466,1152 1.495,1153 1.478,1154 1.442,1155 1.443,1156 1.843,1157 0.282,1158 3.85,1159 1.366,1160 3.99,1161 4.031,1162 3.926,1163 3.894,1164 7.428,1165 3.895,1166 3.918,1167 3.957,1168 3.86,1169 3.843,1170 4.964,1171 3.842,1172 3.902,1173 3.934,1174 3.841,1175 3.712,1176 4.877,1177 3.74,1178 3.607,1179 3.663,1180 3.509,1181 3.377,1182 4.75,1183 3.401,1184 3.531,1185 3.583,1186 3.413,1187 3.309,1188 4.596,1189 3.325,1190 3.314,1191 3.362,1192 3.176,1193 3.076,1194 4.409,1195 3.091,1196 3.166,1197 3.225,1198 2.997,1199 2.976,1200 4.244,1201 2.969,1202 3.059,1203 3.132,1204 2.86,1205 2.822,1206 4.193,1207 2.812,1208 0.129,1209 0.111,1210 0.19,1211 0.119,1212 0.088,1213 4.241,1214 0.115,1215 3.664,1216 0.036,1217 6.284,1218 0.279,1219 3.913,1220 0.088,1221 2.92,1222 3.791,1223 1.2,1224 9.192,1225 2.896,1226 1.928,1227 1.906,1228 2.036,1229 2.032,1230 1.21,1231 2.032,1232 1.899,1233 1.878,1234 2.015,1235 2.001,1236 1.147,1237 2.005,1238 1.684,1239 1.632,1240 1.868,1241 1.909,1242 1.118,1243 1.899,1244 1.507,1245 1.434,1246 1.772,1247 1.772,1248 0.842,1249 1.776,1250 1.363,1251 1.311,1252 1.597,1253 1.624,1254 0.701,1255 1.611,1256 1.281,1257 1.22,1258 1.55,1259 1.53,1260 0.62,1261 1.536,1262 1.222,1263 1.159,1264 1.453,1265 1.511,1266 0.587,1267 1.502,1268 1.136,1269 1.071,1270 1.42,1271 1.39,1272 0.516,1273 1.401,1274 4.205,1276 5.476,1277 2.398,1278 6.923,1279 4.443,1280 8.442,1281 6.26,1282 10,1284 5.134,1290 2.012,1292 17.241,1294 -0.143,1295 1.562,1300 36.772,1301 90.738,1302 209.301,1303 280.149,1304 298.149,1305 308.149,1306 308.149,1307 58.473,1308 7.069,1309 65.82,1310 65.82,1311 17,1312 12.196,1313 4.248,1314 3.392,1315 58.209,1316 144,1317 167,1318 0.181,1319 228.828,1320 398.38,1321 550.1,1322 10914,1324 22.054,1325 0.711,1326 0.588,1327 22.054,1328 18.231,1329 15.046,1330 0.456,1331 0.307,1332 9.922,1333 14.276,1334 9.569,1335 8.025,1336 15.046,1337 10.135,1338 12.939,1339 0.301,1340 0.173,1341 12.939,1342 7.452,1343 10.58,1344 0.203,1345 0.092,1346 10.58,1347 4.798,1348 7.74,1349 0.131,1350 0.051,1351 7.74,1352 3.029,1353 5.608,1354 0.085,1355 0.029,1356 5.608,1357 1.915,1358 0.293,1359 95.734,1360 0.213,1361 29.884,1362 0.473,1363 152,1364 483.877,1365 168.788,1366 452.66,1367 602.86,1368 426,1369 171,1370 416.406,1371 189.482,1372 427.432,1373 610.24,1374 393,1375 5.712} {0 CHEMBL40937,1 1.418,2 8.769,3 3.942,4 15.539,5 100.11,6 7.986,7 0.621,8 3.87,9 3.955,10 3.5,11 3.507,12 5.06,13 3.49,14 4.35,15 4.467,16 3.843,17 3.889,18 5.588,19 3.853,20 4.619,21 4.769,22 3.978,23 4.075,24 5.723,25 4.019,26 4.715,27 4.893,28 3.892,29 4.064,30 5.788,31 3.987,32 4.71,33 4.902,34 3.858,35 4.061,36 5.71,37 3.97,38 4.684,39 4.882,40 3.85,41 4.012,42 5.777,43 3.921,44 4.646,45 4.834,46 3.855,47 3.954,48 5.784,49 3.887,50 4.623,51 4.821,52 3.658,53 3.779,54 5.848,55 3.708,56 0.029,57 0.512,58 7.314,59 3.913,60 9.283,61 4.536,62 0.185,63 0.842,64 13.168,65 6.412,66 35.045,67 7.607,68 0.102,69 1.104,70 18.494,71 8.864,72 24.469,73 10.868,74 0.235,75 1.222,76 22.414,77 9.792,78 41.795,79 11.899,80 0.194,81 1.215,82 22.714,83 10.13,84 34.862,85 12.814,86 0.363,87 1.183,88 22.657,89 9.902,90 44.035,91 12.824,92 0.149,93 1.146,94 21.258,95 9.254,96 36.45,97 11.623,98 0.383,99 1.13,100 22.472,101 8.496,102 66.075,103 9.938,104 6,105 40,106 0.243,107 0.578,108 0.769,109 0.89,110 0.914,111 0.914,112 3.305,113 0.869,114 -4.56,115 -4.49,116 -4.22,118 51.2,120 1,124 1,133 1,134 1,140 9,141 5,142 1,143 2,154 1,163 1,167 1,168 17,169 1,172 6,175 1,177 1,180 20,181 2,186 9,191 2,194 20,195 2,198 7,203 2,206 20,207 1,210 4,211 1,215 1,218 21,219 2,221 1,222 5,225 1,227 2,229 18,230 3,234 7,239 3,242 12,243 3,246 1,247 8,252 3,255 6,256 2,259 4,260 1,264 2,267 2,268 1,270 1078,271 17.913,272 17.913,273 17.913,274 17.913,275 17.913,276 15.384,277 15.886,278 10.713,279 18.096,280 14.337,281 14.337,282 14.337,283 14.337,284 14.337,285 10.572,286 18.316,287 5.092,288 14.621,289 4.008,290 2.054,291 0.943,292 0.233,293 0.093,294 0.093,295 4.008,298 1,299 1,300 1,301 497,302 2.915,306 167.169,307 56.959,311 184.415,313 1.13,314 23.313,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 55.5,326 228,327 4.557,328 3.585,329 6.809,330 4.198,331 3.209,332 4.206,333 1.437,334 11.266,335 3.176,336 4.17,337 3.322,338 6.137,339 3.78,340 2.782,341 3.787,342 1.151,343 8.959,344 2.77,345 3.906,346 2.798,347 5.823,348 3.514,349 2.523,350 3.451,351 0.68,352 7.816,353 2.501,354 3.831,355 2.78,356 5.364,357 3.451,358 2.463,359 3.227,361 6.995,362 2.424,363 3.478,364 2.456,365 5.237,366 3.078,367 2.124,368 2.741,370 6.294,371 2.018,372 2.939,373 1.947,374 4.264,375 2.506,376 1.533,377 2.105,379 3.648,380 1.492,381 2.917,382 1.689,383 3.938,384 2.461,385 1.478,386 2.09,388 3.343,389 1.448,390 2.775,391 1.558,392 3.763,393 2.288,394 1.295,395 1.841,397 3.118,398 1.285,399 2.736,400 1.319,401 3.637,402 2.258,403 1.26,404 1.782,406 2.917,407 1.235,408 2.536,409 1.16,410 3.542,411 1.997,412 1,413 1.5,415 2.47,416 0.996,417 2.5,418 1.031,419 3.247,420 1.955,421 1,422 1.472,424 2.136,425 0.953,426 1.951,427 1,428 3.209,429 1.629,430 0.694,431 0.839,433 1.62,434 0.641,435 1.448,436 0.468,437 2.955,438 1.188,439 0.217,440 0.259,442 0.548,443 0.21,444 1.185,445 0.452,446 2.666,447 0.855,448 -0.114,449 -0.139,451 -0.291,452 -0.109,453 0.85,454 0.178,455 2.325,456 0.416,457 -0.556,458 -0.727,460 -1.294,461 -0.537,462 12.4,463 0.477,464 0.538,465 0.021,466 37.5,467 1.442,468 21.5,469 0.827,470 16,471 0.615,472 17.961,473 0.691,474 26,475 0.605,476 27.888,477 1.073,478 7.696,479 0.296,480 5.024,481 0.193,482 0.054,484 0.323,487 0.771,488 0.966,489 0.722,490 0.892,491 0.721,492 0.817,493 0.747,494 0.947,495 0.869,496 0.936,497 0.478,498 0.922,499 0.784,500 1.06,501 0.906,502 1.073,503 0.61,504 1.022,505 1.053,506 0.987,507 1.084,508 1.036,509 0.91,510 1.059,511 0.811,512 0.972,513 0.983,514 1.025,515 0.705,516 1.034,517 0.574,518 0.961,519 0.888,520 0.989,521 0.529,522 0.994,523 0.894,524 1.133,525 0.909,526 1.089,527 1.01,528 1.02,529 1.55,530 1.104,531 1.233,532 1.03,533 1.753,534 1.071,535 4,536 0.037,537 2.889,538 1.375,539 1.332,540 0.92,541 0.625,542 0.349,543 0.222,544 0.142,545 7347,546 20863,547 2.148,548 39.5,549 2,550 12,552 2,553 1,558 1.7,559 2.053,560 3.102,561 -0.408,563 1,567 60.98,568 1.418,569 3.373,570 4.484,571 5.194,572 5.333,573 5.333,574 2.442,575 4.393,576 4.67,577 3.248,578 1055.56,579 8.142,580 12855.5,582 1,584 1,585 233.329,586 1.239,587 4.65,588 0.138,589 0.005,590 0.072,591 0.031,592 0.033,593 0.024,594 0.016,595 0.009,596 0.008,597 0.008,598 0.344,599 0.5,600 1,601 0.646,602 124.239,603 -0.051,604 0.004,605 0.03,606 0.04,607 -0.086,608 0.046,609 0.075,610 0.036,611 -0.049,612 0.005,613 0.157,614 -0.031,615 -0.022,616 -0.105,617 -0.034,618 -0.108,619 0.021,620 -0.078,621 -0.118,622 -0.021,623 -0.137,624 -0.062,625 -0.089,626 -0.093,627 -0.041,628 -0.026,629 -0.032,630 -0.032,631 -0.036,632 -0.031,633 0.226,634 -0.014,635 0.083,636 0.008,637 0.164,638 0.019,639 0.001,640 -0.169,641 0.06,642 -0.109,643 -0.022,644 -0.034,645 -0.17,646 -0.091,647 -0.177,648 -0.07,649 -0.212,650 -0.119,651 2.614,652 4.436,653 0.808,654 21.112,655 1.004,656 1.103,657 3.335,658 11.119,659 0.708,660 3.401,661 3.714,662 4.007,663 4.277,664 4.575,665 4.718,666 4.875,667 5.004,668 5.147,669 5.236,670 5.462,671 0.683,672 343.4,673 3.401,674 4.934,675 5.79,676 6.666,677 7.543,678 8.428,679 9.315,680 10.207,681 11.099,682 11.994,683 2.3,693 1,699 11,700 1,704 6,706 18,714 1,722 1,724 43,726 20,727 2,728 29,730 46,731 22,733 17,734 5,735 7,736 3,739 4,740 7,751 1,753 20,754 2,756 2,761 1,763 1,765 2,769 1,772 17,773 4,774 1,775 4,779 1,784 0.5,785 3,795 1,802 3,803 1,807 2,822 1,823 1,830 1,832 2,840 26,845 1,846 2,848 1,862 7,864 1,865 1,867 1,869 12.667,870 7.733,871 5.722,872 2.496,874 3.929,875 1.513,876 0.997,877 4.447,878 11.585,879 3.714,880 4.311,881 4.903,882 5.472,883 6.047,884 6.302,885 6.73,886 7.124,887 7.562,888 7.957,889 0.833,890 45,891 9.593,893 4.124,894 7.801,895 18.213,897 15.048,899 2.301,900 59.833,903 1,904 188.338,905 145.251,906 16.786,908 78.828,911 145.251,912 267.166,913 16.786,915 7.127,916 94.762,917 109.066,918 53.452,920 164.795,922 188.338,923 162.037,924 78.828,927 188.338,928 78.828,931 25.222,932 110.553,933 26.262,935 188.338,936 95.614,937 145.251,940 188.338,941 32.394,942 112.857,944 95.614,945 188.338,946 95.614,947 145.251,949 0.577,950 0.338,951 0.184,952 0.107,953 20,954 8,955 0.065,956 3,957 2,958 1.19,959 3.73,960 229.804,961 0.19,962 21,963 122.211,968 16.406,969 7.047,970 3.368,972 95.614,973 20.597,974 4.161,978 4.996,980 42.683,981 429.202,982 40,987 11.436,989 2.12,991 0.039,994 43.153,995 47.448,996 0.261,997 0.622,998 0.826,999 0.957,1000 0.983,1001 0.983,1002 4.931,1003 1.295,1004 5.759,1005 3.343,1006 4.394,1007 4.997,1008 2.164,1009 6.567,1010 4.36,1011 6.135,1012 1.26,1013 7.311,1014 3.118,1015 3.892,1016 4.663,1018 7.479,1019 3.862,1020 7.436,1021 1,1022 8.969,1023 2.917,1024 5.974,1025 7.17,1026 2.599,1027 10.602,1028 5.917,1029 8.773,1030 1,1031 10.692,1032 2.47,1033 6.33,1034 7.67,1036 12.385,1037 6.28,1038 10.143,1039 0.694,1040 12.457,1041 2.136,1042 7.847,1043 9.614,1044 3.154,1045 15.02,1046 7.777,1047 11.537,1048 0.217,1049 14.252,1050 1.62,1051 8.608,1052 10.523,1054 17.16,1055 8.54,1056 12.949,1057 -0.114,1058 16.067,1059 0.548,1060 9.893,1061 12.207,1062 3.774,1063 19.64,1064 9.809,1065 3.209,1066 -0.556,1067 17.898,1068 -0.291,1069 10.852,1070 13.338,1072 21.934,1073 10.765,1074 2.782,1075 11.266,1076 19.741,1077 -1.294,1078 12.042,1079 14.89,1080 4.432,1081 24.366,1082 11.944,1083 2.523,1084 8.959,1085 21.594,1086 4.206,1087 13.099,1088 16.145,1090 26.728,1091 12.994,1092 2.463,1093 7.816,1094 23.455,1095 3.787,1096 14.256,1097 17.63,1098 5.115,1099 29.147,1100 14.14,1101 2.124,1102 6.995,1103 25.323,1104 3.451,1105 15.36,1106 18.957,1108 31.539,1109 15.236,1110 1.533,1111 6.294,1112 27.198,1113 3.227,1114 16.509,1115 20.408,1116 5.813,1117 33.955,1118 16.374,1119 1.478,1120 3.648,1121 29.077,1122 2.741,1123 17.638,1124 21.777,1126 36.362,1127 17.494,1128 6985,1129 11882,1130 19.879,1131 30.46,1132 43.628,1133 44.356,1134 44.121,1135 43.147,1136 43.158,1137 58.599,1138 6.535,1139 122.258,1140 42.297,1141 5.391,1142 5.585,1143 6.611,1144 5.253,1145 5.209,1146 7.206,1147 2.873,1148 18.627,1149 5.176,1150 9.227,1151 1.504,1152 1.53,1153 1.521,1154 1.488,1155 1.488,1156 2.021,1157 0.225,1158 4.216,1159 1.459,1160 4.063,1161 4.079,1162 4.02,1163 4.008,1164 7.475,1165 4.008,1166 3.866,1167 3.905,1168 3.802,1169 3.772,1170 6.351,1171 3.774,1172 3.821,1173 3.842,1174 3.766,1175 3.765,1176 4.926,1177 3.762,1178 3.431,1179 3.468,1180 3.356,1181 3.33,1182 4.866,1183 3.327,1184 3.316,1185 3.326,1186 3.237,1187 3.088,1188 4.633,1189 3.117,1190 3.12,1191 3.148,1192 2.998,1193 2.917,1194 4.273,1195 2.932,1196 2.965,1197 3.02,1198 2.839,1199 2.862,1200 4.153,1201 2.851,1202 2.762,1203 2.848,1204 2.62,1205 2.629,1206 3.82,1207 2.616,1208 0.157,1209 0.124,1210 0.235,1211 0.145,1212 0.111,1213 4.557,1214 0.145,1215 3.585,1216 0.05,1217 6.809,1218 0.388,1219 4.198,1220 0.11,1221 3.209,1222 4.206,1223 1.437,1224 11.266,1225 3.176,1226 1.987,1227 1.97,1228 2.075,1229 2.049,1230 1.255,1231 2.058,1232 1.87,1233 1.853,1234 1.978,1235 1.968,1236 1.105,1237 1.97,1238 1.842,1239 1.807,1240 1.954,1241 1.954,1242 1.063,1243 1.958,1244 1.424,1245 1.387,1246 1.611,1247 1.57,1248 0.706,1249 1.579,1250 1.216,1251 1.19,1252 1.453,1253 1.473,1254 0.607,1255 1.453,1256 1.051,1257 1.024,1258 1.229,1259 1.311,1260 0.37,1261 1.28,1262 0.969,1263 0.922,1264 1.177,1265 1.128,1266 0.175,1267 1.161,1268 0.781,1269 0.72,1270 1.076,1271 0.984,1272 0.135,1273 1.01,1274 4.078,1276 5.389,1278 6.903,1279 2.708,1280 8.507,1281 5.38,1282 10.158,1289 9.378,1290 1.161,1292 5.946,1300 29.38,1301 60.98,1302 145.026,1303 192.8,1304 223.329,1305 229.329,1306 229.329,1307 39.056,1308 7.656,1309 59.42,1310 59.42,1311 25,1312 12.52,1313 4.392,1314 3.585,1315 37.632,1316 80,1317 96,1318 0.221,1319 178.81,1320 315.35,1321 428.056,1322 22481,1324 17.933,1325 0.69,1326 0.541,1327 17.933,1328 14.053,1329 12.72,1330 0.439,1331 0.29,1332 8.32,1333 12.378,1334 8.138,1335 6.733,1336 12.72,1337 8.4,1338 11.272,1339 0.282,1340 0.154,1341 11.272,1342 6.145,1343 9.64,1344 0.179,1345 0.083,1346 9.64,1347 4.472,1348 8.027,1349 0.113,1350 0.045,1351 8.027,1352 3.168,1353 6.916,1354 0.072,1355 0.024,1356 6.916,1357 2.282,1358 0.333,1359 78.885,1360 0.224,1361 24.522,1362 0.65,1363 138,1364 401.266,1365 147.359,1366 390.798,1367 534.13,1368 366,1369 163,1370 388.234,1371 171.808,1372 397.377,1373 580.34,1374 374,1375 7.854} {0 CHEMBL40983,1 1.461,2 15.824,3 3.583,4 12.84,5 133.602,6 6.749,7 0.472,8 4.298,9 4.42,10 3.775,11 3.773,12 5.335,13 3.744,14 4.857,15 5.05,16 4.046,17 4.122,18 5.816,19 4.071,20 5.044,21 5.25,22 4.084,23 4.251,24 6.005,25 4.156,26 5.181,27 5.426,28 4.023,29 4.243,30 6.108,31 4.132,32 5.136,33 5.383,34 3.997,35 4.229,36 6.018,37 4.116,38 5.101,39 5.34,40 3.984,41 4.25,42 5.987,43 4.119,44 5.13,45 5.389,46 3.967,47 4.234,48 6.015,49 4.102,50 5.02,51 5.26,52 3.938,53 4.205,54 5.874,55 4.085,56 0.02,57 0.948,58 15.838,59 6.515,60 11.328,61 8.915,62 0.428,63 1.458,64 29.898,65 10.007,66 33.703,67 14.007,68 0.434,69 1.673,70 35.83,71 12.997,72 45.344,73 18.152,74 0.559,75 1.772,76 42.365,77 13.817,78 70.516,79 19.71,80 0.537,81 1.715,82 40.377,83 13.467,84 57.984,85 19.189,86 0.464,87 1.721,88 38.178,89 13.831,90 52.994,91 19.757,92 0.568,93 1.732,94 39.87,95 13.659,96 66.307,97 19.851,98 0.342,99 1.635,100 35.056,101 12.533,102 40.849,103 18.043,104 25,105 46,106 0.231,107 0.548,108 0.781,109 0.841,110 0.864,111 0.864,112 3.56,113 0.976,114 -3.84,115 -3.8,116 -3.61,118 39.1,119 1,120 2,123 2,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 12,171 2,172 7,180 11,185 2,186 11,194 5,197 1,198 11,206 1,209 1,210 7,218 3,221 2,222 8,229 5,233 2,234 9,242 6,247 7,255 7,258 1,259 5,267 9,270 2630,271 23.292,272 23.292,273 23.292,274 23.292,275 23.292,276 21.156,277 26.46,278 14.268,279 23.976,280 17.66,281 17.66,282 17.66,283 17.66,284 17.66,285 14.409,286 28.514,287 6.678,288 18.618,289 4.647,290 2.639,291 1.163,292 0.786,293 0.642,294 0.642,295 4.243,300 1,301 1120,302 4.637,305 123.112,306 283.689,313 2.304,314 27.237,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 73.5,326 538,327 4.25,328 3.677,329 6.331,330 3.933,331 2.944,332 3.793,333 1.2,334 9.389,335 2.91,336 4.035,337 3.062,338 5.594,339 3.635,340 2.696,341 3.635,342 1.151,343 7.729,344 2.582,345 3.958,346 2.924,347 5.479,348 3.598,349 2.643,350 3.49,351 1.151,352 7.335,353 2.482,354 3.801,355 2.732,356 5.37,357 3.452,358 2.482,359 3.144,360 0.86,361 7,362 2.398,363 3.493,364 2.655,365 5.113,366 3.175,367 2.253,368 2.767,369 0.293,370 6.286,371 2.074,372 3.364,373 2.428,374 5.049,375 3.098,376 2.159,377 2.431,379 6.081,380 2.01,381 3.175,382 2.246,383 4.967,384 2.943,385 1.977,386 2.289,388 5.603,389 1.902,390 2.593,391 1.966,392 3.739,393 2.425,394 1.428,395 1.614,397 2.876,398 1.42,399 2.573,400 1.805,401 3.506,402 2.142,403 1.252,404 1.546,406 2.71,407 1.112,408 2.5,409 1.366,410 3.415,411 2.004,412 1.129,413 1.5,415 2.473,416 1,417 2.5,418 1.32,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.257,427 1.166,428 3.414,429 2,430 1,431 1.243,433 2.275,434 0.977,435 2.12,436 1,437 3.163,438 1.827,439 0.827,440 0.985,442 1.753,443 0.815,444 2.118,445 1,446 3.008,447 1.554,448 0.618,449 0.927,451 1.372,452 0.577,453 1.765,454 0.965,455 3,456 1.503,457 0.598,458 0.672,460 1.256,461 0.532,462 16.033,463 0.472,464 0.588,465 0.017,466 39.75,467 1.169,468 18,469 0.529,470 21.75,471 0.64,472 31.049,473 0.913,474 38.567,475 0.559,476 31.973,477 0.94,478 8.192,479 0.241,480 8.392,481 0.247,482 0.114,484 0.237,487 0.825,488 1.55,489 0.873,490 1.33,491 0.655,492 1.14,493 1.392,494 0.934,495 1.053,496 0.895,497 0.883,498 0.91,499 1.02,500 1.181,501 1.06,502 1.2,503 0.875,504 1.148,505 1.328,506 0.989,507 1.059,508 0.998,509 1.597,510 0.991,511 1.251,512 0.918,513 1.021,514 0.937,515 1.235,516 0.945,517 0.828,518 1.105,519 1.006,520 1.132,521 0.883,522 1.105,523 0.904,524 0.94,525 0.937,526 0.935,527 1.056,528 0.942,529 0.955,530 1.049,531 1.005,532 1.021,533 0.662,534 1.02,535 6,536 0.177,537 3.111,538 1.472,539 1.239,540 0.806,541 0.475,542 0.314,543 0.306,544 0.253,545 18361,546 44505,547 2.028,548 50.7,549 5,550 25,551 1,552 2,555 2,558 1.76,559 1.925,560 3.899,561 -0.788,567 100.826,568 1.461,569 3.469,570 4.945,571 5.322,572 5.467,573 5.467,574 3.382,575 4.676,576 5.054,577 4.085,578 2291.77,579 8.864,580 38327.2,585 421.488,586 1.261,587 5.03,588 0.167,589 0.005,590 0.068,591 0.033,592 0.03,593 0.02,594 0.012,595 0.008,596 0.008,597 0.006,598 0.356,599 0.33,600 0.75,601 1.352,602 187.537,603 0.01,604 -0.299,605 0.069,606 -0.164,607 -0.005,608 -0.059,609 -0.13,610 0.186,611 -0.033,612 0.117,613 -0.049,614 0.068,615 0.046,616 -0.137,617 -0.075,618 -0.159,619 0.068,620 -0.138,621 -0.096,622 -0.028,623 -0.042,624 -0.032,625 -0.109,626 -0.029,627 -0.09,628 0.048,629 -0.012,630 0.038,631 -0.098,632 0.027,633 0.073,634 -0.112,635 -0.038,636 -0.113,637 0.004,638 -0.096,639 0.048,640 0.025,641 0.045,642 0.047,643 0.013,644 0.045,645 -0.084,646 -0.031,647 -0.038,648 -0.005,649 -0.056,650 -0.014,651 1.62,652 5.539,653 0.5,654 45.903,655 0.996,656 1.13,657 2.607,658 6.799,659 0.638,660 3.611,661 3.85,662 4.043,663 4.174,664 4.29,665 4.304,666 4.357,667 4.369,668 4.466,669 4.575,670 8.963,671 0.599,672 465.65,673 3.611,674 5.106,675 5.911,676 6.735,677 7.553,678 8.381,679 9.205,680 10.035,681 10.861,682 11.692,683 4.3,690 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,713 1,722 1,724 69,726 18,727 2,728 36,730 71,731 27,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 3,753 16,754 11,756 1,761 1,765 1,772 35,773 6,775 7,778 1,779 3,784 1,785 4,801 1,802 2,831 2,832 3,836 3,840 34,846 7,848 3,850 1,851 1,862 5.8,865 1,866 2,867 1,869 17.667,870 13.017,871 7.889,872 4.14,874 2.097,875 1.289,876 0.933,877 10.612,878 9.352,879 3.839,880 4.321,881 4.795,882 5.217,883 5.559,884 5.59,885 5.717,886 5.71,887 5.923,888 6.199,889 0.909,890 45,891 12.588,893 5.051,894 7.637,895 24.327,897 18.947,899 2.137,900 72.667,904 411.989,905 173.19,906 21.809,908 58.145,911 173.19,912 470.133,913 21.809,914 28.105,915 26.182,916 84.857,917 100.796,918 36.747,919 11.771,920 376.675,922 411.989,923 194.999,924 58.145,927 388.446,928 59.687,929 22,931 54.572,932 123.642,933 16.786,935 411.989,936 79.954,937 173.19,940 411.989,941 42.562,942 135.651,944 74.93,945 411.989,946 79.954,947 173.19,949 0.558,950 0.32,951 0.158,952 0.081,953 17,954 8,955 0.197,956 14,958 1,959 4.675,960 282.079,962 17,963 164.974,968 25.951,969 13.903,970 8.573,972 78.054,973 20.916,974 4.115,978 3.607,979 1.981,981 665.133,982 45.5,987 12.539,991 0.047,994 68.752,995 77.976,996 0.239,997 0.568,998 0.81,999 0.871,1000 0.895,1001 0.895,1002 5.032,1003 1.428,1004 5.844,1005 5.603,1006 4.533,1007 5.007,1008 2.366,1009 6.541,1010 4.437,1011 6.175,1012 1.252,1013 7.335,1014 2.876,1015 3.892,1016 4.527,1017 0.325,1018 7.217,1019 3.78,1020 7.428,1021 1.129,1022 8.922,1023 2.71,1024 6.023,1025 7.042,1026 2.537,1027 10.237,1028 5.852,1029 8.715,1030 1,1031 10.567,1032 2.473,1033 6.236,1034 7.415,1035 0.653,1036 11.735,1037 6.052,1038 10.035,1039 1,1040 12.248,1041 2.275,1042 7.757,1043 9.34,1044 2.76,1045 14.237,1046 7.527,1047 11.375,1048 0.827,1049 13.955,1050 2.275,1051 8.366,1052 10.106,1053 1.001,1054 16.091,1055 8.127,1056 12.731,1057 0.618,1058 15.68,1059 1.753,1060 9.625,1061 11.768,1062 3.008,1063 18.415,1064 9.354,1065 2.944,1066 0.598,1067 17.42,1068 1.372,1069 10.438,1070 12.743,1071 1.37,1072 20.447,1073 10.16,1074 2.696,1075 9.389,1076 19.171,1077 1.256,1078 11.577,1079 14.266,1080 3.272,1081 22.706,1082 11.276,1083 2.643,1084 7.729,1085 20.932,1086 3.793,1087 12.499,1088 15.364,1089 1.754,1090 24.831,1091 12.191,1092 2.482,1093 7.335,1094 22.702,1095 3.635,1096 13.584,1097 16.806,1098 3.548,1099 27.068,1100 13.261,1101 2.253,1102 7,1103 24.481,1104 3.49,1105 14.564,1106 17.981,1107 2.143,1108 29.244,1109 14.236,1110 2.159,1111 6.286,1112 26.266,1113 3.144,1114 15.626,1115 19.374,1116 3.832,1117 31.475,1118 15.288,1119 1.977,1120 6.081,1121 28.059,1122 2.767,1123 16.639,1124 20.597,1125 2.535,1126 33.678,1127 16.296,1128 18024,1129 28234,1130 24.038,1131 44.017,1132 51.825,1133 52.8,1134 52.922,1135 51.128,1136 51.11,1137 64.292,1138 9.309,1139 134.714,1140 48.565,1141 5.181,1142 5.677,1143 6.195,1144 5.021,1145 4.944,1146 6.793,1147 2.351,1148 16.017,1149 4.91,1150 16.639,1151 1.44,1152 1.467,1153 1.47,1154 1.42,1155 1.42,1156 1.786,1157 0.259,1158 3.742,1159 1.349,1160 3.994,1161 4.035,1162 3.93,1163 3.897,1164 7.428,1165 3.898,1166 3.919,1167 3.961,1168 3.861,1169 3.843,1170 4.964,1171 3.842,1172 3.902,1173 3.934,1174 3.841,1175 3.712,1176 4.878,1177 3.74,1178 3.714,1179 3.782,1180 3.58,1181 3.555,1182 4.75,1183 3.546,1184 3.569,1185 3.606,1186 3.455,1187 3.359,1188 4.595,1189 3.377,1190 3.445,1191 3.515,1192 3.301,1193 3.237,1194 4.409,1195 3.246,1196 3.311,1197 3.361,1198 3.168,1199 3.073,1200 4.247,1201 3.087,1202 3.162,1203 3.224,1204 2.983,1205 2.971,1206 4.221,1207 2.961,1208 0.118,1209 0.102,1210 0.176,1211 0.109,1212 0.082,1213 4.25,1214 0.105,1215 3.677,1216 0.033,1217 6.331,1218 0.261,1219 3.933,1220 0.081,1221 2.944,1222 3.793,1223 1.2,1224 9.389,1225 2.91,1226 1.93,1227 1.908,1228 2.041,1229 2.036,1230 1.272,1231 2.037,1232 1.899,1233 1.878,1234 2.015,1235 2.002,1236 1.208,1237 2.006,1238 1.711,1239 1.647,1240 1.969,1241 1.922,1242 1.143,1243 1.929,1244 1.679,1245 1.622,1246 1.866,1247 1.877,1248 1.116,1249 1.888,1250 1.421,1251 1.356,1252 1.703,1253 1.671,1254 0.836,1255 1.686,1256 1.36,1257 1.305,1258 1.597,1259 1.621,1260 0.702,1261 1.61,1262 1.281,1263 1.219,1264 1.55,1265 1.529,1266 0.628,1267 1.535,1268 1.221,1269 1.155,1270 1.456,1271 1.51,1272 0.597,1273 1.502,1274 4.29,1276 5.549,1277 2.398,1278 6.986,1279 4.443,1280 8.5,1281 6.26,1282 10.055,1284 5.625,1290 4.865,1292 17.341,1294 -0.145,1295 1.774,1300 41.352,1301 100.826,1302 239.395,1303 341.224,1304 367.224,1305 377.224,1306 377.224,1307 71.38,1308 7.255,1309 65.82,1310 65.82,1311 17,1312 12.266,1313 4.248,1314 3.392,1315 67.411,1316 177,1317 204,1318 0.174,1319 257.605,1320 450.28,1321 620.316,1322 14173,1324 24.175,1325 0.711,1326 0.599,1327 24.175,1328 20.353,1329 16.584,1330 0.461,1331 0.325,1332 11.502,1333 15.821,1334 11.13,1335 9.351,1336 16.584,1337 11.711,1338 13.815,1339 0.3,1340 0.181,1341 13.815,1342 8.333,1343 11.439,1344 0.204,1345 0.1,1346 11.439,1347 5.586,1348 8.449,1349 0.132,1350 0.055,1351 8.449,1352 3.488,1353 6.196,1354 0.086,1355 0.031,1356 6.196,1357 2.266,1358 0.283,1359 104.877,1360 0.204,1361 32.386,1362 0.449,1363 164,1364 495.877,1365 181.121,1366 464.542,1367 621.52,1368 438,1369 184,1370 431.758,1371 202.815,1372 441.294,1373 632.69,1374 408,1375 5.268} {0 CHEMBL41031,1 1.594,2 12.966,3 2.271,4 5.156,5 115.633,6 7.538,7 0.548,8 4.092,9 4.191,10 3.759,11 3.632,12 5.155,13 3.588,14 4.628,15 4.787,16 3.97,17 3.967,18 5.649,19 3.907,20 4.79,21 4.958,22 3.962,23 4.062,24 5.821,25 3.963,26 4.905,27 5.13,28 3.832,29 4.023,30 5.828,31 3.899,32 4.885,33 5.134,34 3.774,35 3.953,36 5.748,37 3.835,38 4.772,39 5,40 3.809,41 3.939,42 5.646,43 3.825,44 4.799,45 5.026,46 3.814,47 3.966,48 5.745,49 3.857,50 4.814,51 5.055,52 3.832,53 4.002,54 5.679,55 3.882,56 0.039,57 0.76,58 13.158,59 5.733,60 11.419,61 6.827,62 0.352,63 1.187,64 25.781,65 9.119,66 30.325,67 10.72,68 0.451,69 1.329,70 28.93,71 10.999,72 46.067,73 13.436,74 0.431,75 1.416,76 33.815,77 11.954,78 51.368,79 15.396,80 0.486,81 1.349,82 32.673,83 11.235,84 49.306,85 14.945,86 0.449,87 1.285,88 30.123,89 10.44,90 38.731,91 13.808,92 0.405,93 1.319,94 28.447,95 10.304,96 48.889,97 13.882,98 0.441,99 1.355,100 31.23,101 10.676,102 41.228,103 14.029,104 14,105 40,106 0.263,107 0.574,108 0.77,109 0.824,110 0.854,111 0.854,112 3.407,113 1.055,114 -3.15,115 -3.15,116 -3.02,118 40,123 2,124 4,126 1,140 8,141 2,142 2,143 1,149 1,156 1,168 8,171 1,172 4,180 8,185 2,186 8,194 4,197 1,198 7,209 1,210 4,221 2,222 7,233 1,234 9,242 1,247 5,255 4,258 1,259 4,267 8,270 1768,271 19.8,272 19.8,273 19.8,274 19.8,275 19.8,276 17.588,277 22.645,278 11.994,279 20.676,280 15.244,281 15.244,282 15.244,283 15.244,284 15.244,285 11.957,286 23.918,287 5.646,288 16.509,289 4.188,290 2.303,291 1.118,292 0.791,293 0.609,294 0.609,295 4.091,299 1,300 1,301 791,302 3.937,305 100.635,306 233.787,313 1.834,314 24.595,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 63,326 376,327 4.166,328 4.698,329 5.929,330 3.712,331 2.79,332 3.756,333 2.95,334 8.23,335 2.599,336 4.035,337 3.062,338 5.592,339 3.63,340 2.686,341 3.635,342 1.151,343 7.721,344 2.581,345 3.957,346 2.924,347 5.479,348 3.584,349 2.641,350 3.49,351 1.151,352 7.335,353 2.443,354 3.707,355 2.751,356 5.302,357 3.309,358 2.387,359 3.04,360 0.86,361 6.806,362 2.157,363 3.492,364 2.657,365 5.112,366 3.163,367 2.233,368 2.767,370 6.283,371 2.068,372 3.346,373 2.536,374 5.018,375 3.079,376 2.141,377 2.407,379 6.043,380 1.987,381 2.785,382 2.375,383 3.799,384 2.222,385 1.312,386 1.792,388 3.017,389 1.17,390 2.581,391 1.853,392 3.505,393 2.142,394 1.248,395 1.608,397 2.709,398 1.111,399 2.5,400 1.365,401 3.414,402 2,403 1.097,404 1.5,406 2.443,407 1,408 2.5,409 1.186,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.252,418 1.066,419 3.403,420 1.972,421 1,422 1.234,424 2.275,425 0.949,426 2.118,427 1,428 3.066,429 1.554,430 0.626,431 0.927,433 1.381,434 0.577,435 1.769,436 1,437 3,438 1.514,439 0.618,440 0.692,442 1.372,443 0.548,444 1.633,445 0.701,446 2.788,447 1.366,448 0.489,449 0.543,451 0.839,452 0.424,453 1.087,454 0.618,455 2.524,456 0.862,457 -0.055,458 -0.061,460 -0.118,461 -0.05,462 13.967,463 0.482,464 0.537,465 0.019,466 36.5,467 1.259,468 18,469 0.621,470 18.5,471 0.638,472 23.169,473 0.799,474 32.233,475 0.586,476 27.017,477 0.932,478 7.563,479 0.261,480 6.572,481 0.227,482 0.095,484 0.267,487 0.772,488 1.395,489 0.813,490 1.22,491 0.695,492 1.046,493 1.445,494 0.929,495 1.16,496 0.969,497 0.904,498 0.9,499 1.181,500 1.131,501 1.136,502 1.155,503 1.159,504 1.193,505 1.123,506 1.041,507 0.994,508 1.043,509 0.968,510 1.083,511 1.137,512 0.864,513 0.773,514 0.787,515 0.896,516 0.888,517 0.791,518 1.039,519 0.897,520 1.021,521 0.532,522 1.012,523 0.907,524 1.046,525 0.789,526 0.897,527 0.759,528 0.998,529 1.084,530 0.827,531 0.882,532 0.739,533 0.676,534 0.823,535 5.5,536 0.16,537 2.444,538 0.972,539 0.919,540 0.695,541 0.334,542 0.24,543 0.273,544 0.197,545 11802,546 33720,547 2.053,548 47.3,550 23,551 1,552 2,558 1.72,559 1.955,560 3.636,561 -0.751,562 1,563 1,567 87.656,568 1.594,569 3.479,570 4.663,571 4.99,572 5.172,573 5.172,574 3.073,575 4.073,576 4.827,577 3.829,578 1554.44,579 8.412,580 22804.1,582 1,584 1,585 317.975,586 1.233,587 4.804,588 0.177,589 0.006,590 0.061,591 0.026,592 0.029,593 0.022,594 0.01,595 0.007,596 0.008,597 0.006,598 0.353,599 0.33,600 0.88,601 0.772,602 151.064,603 0.033,604 -0.225,605 0.145,606 -0.105,607 -0.07,608 -0.032,609 -0.212,610 0.161,611 -0.11,612 0.075,613 -0.077,614 0.056,615 -0.039,616 -0.118,617 -0.195,618 -0.16,619 -0.068,620 -0.223,621 -0.066,622 -0.101,623 -0.088,624 -0.118,625 -0.041,626 -0.115,627 -0.055,628 0.035,629 0.065,630 0.068,631 -0.048,632 0.069,633 0.111,634 -0.066,635 0.013,636 -0.083,637 0.062,638 -0.031,639 0.02,640 -0.085,641 0.013,642 -0.03,643 0.051,644 -0.034,645 -0.142,646 0.151,647 0.034,648 0.184,649 -0.067,650 0.147,651 2.198,652 4.519,653 0.586,654 31.479,655 1.003,656 1.122,657 1.921,658 3.692,659 0.666,660 3.466,661 3.714,662 3.892,663 4.025,664 4.143,665 4.159,666 4.159,667 4.143,668 4.29,669 4.369,670 7.698,671 0.626,672 414.57,673 3.466,674 4.963,675 5.765,676 6.589,677 7.403,678 8.228,679 9.046,680 9.871,681 10.69,682 11.515,683 3.6,691 1,693 1,699 11,700 1,704 4,705 1,706 17,722 1,724 55,726 18,727 2,728 31,730 57,731 22,733 15,734 4,735 8,739 3,740 3,751 1,753 15,754 7,756 1,761 1,766 1,769 1,772 26,773 5,775 7,776 1,778 1,779 2,784 1,785 4,801 1,802 2,831 2,832 3,834 1,836 2,840 29,842 1,846 4,848 3,850 1,862 7.3,865 1,866 2,867 1,869 14.833,870 10.233,871 6.611,872 2.922,874 2.104,875 1.304,876 0.95,877 8.289,878 9.032,879 3.726,880 4.238,881 4.708,882 5.149,883 5.491,884 5.496,885 5.545,886 5.437,887 5.75,888 6.039,889 0.889,890 37,891 10.727,893 4.36,894 7.697,895 20.593,897 16.201,899 2.197,900 63.722,904 306.049,905 168.778,906 18.685,908 55.156,910 19.133,911 149.645,912 361.205,913 18.685,914 18.073,915 15.883,916 103.99,917 93.103,918 35.112,919 11.771,920 270.735,922 306.049,923 168.33,924 55.156,925 19.133,927 306.049,928 33.156,929 22,931 35.448,932 116.096,933 16.786,934 19.133,935 306.049,936 73.841,937 168.778,940 325.181,941 29.048,942 122.496,944 71.942,945 306.049,946 73.841,947 168.778,949 0.565,950 0.318,951 0.156,952 0.078,953 16,954 7,955 0.193,956 11,958 1,959 4.258,960 228.667,962 17,963 130.881,966 1,968 21.563,969 11.148,970 6.998,972 71.942,973 20.894,974 4.09,978 3.75,979 1.977,981 548.667,982 40.5,987 11.519,992 -0.976,994 55.192,995 61.737,996 0.276,997 0.602,998 0.807,999 0.863,1000 0.895,1001 0.895,1002 4.914,1003 1.248,1004 5.7,1005 3.017,1006 4.394,1007 4.924,1008 3.226,1009 6.385,1010 4.25,1011 6.072,1012 1.097,1013 7.183,1014 2.709,1015 3.761,1016 4.46,1018 7.024,1019 3.53,1020 7.33,1021 1,1022 8.756,1023 2.443,1024 5.878,1025 6.984,1026 5.079,1027 9.997,1028 5.606,1029 8.62,1030 1,1031 10.382,1032 2.275,1033 6.066,1034 7.347,1036 11.422,1037 5.694,1038 9.939,1039 0.626,1040 12.04,1041 2.275,1042 7.586,1043 9.29,1044 7.192,1045 13.848,1046 7.192,1047 11.276,1048 0.618,1049 13.718,1050 1.381,1051 8.153,1052 10.038,1054 15.6,1055 7.655,1056 12.626,1057 0.489,1058 15.411,1059 1.372,1060 9.409,1061 11.716,1062 9.349,1063 17.818,1064 8.892,1065 2.79,1066 -0.055,1067 17.114,1068 0.839,1069 10.171,1070 12.673,1072 19.727,1073 9.554,1074 2.686,1075 8.23,1076 18.823,1077 -0.118,1078 11.298,1079 14.206,1080 11.511,1081 21.858,1082 10.658,1083 2.641,1084 7.721,1085 20.539,1086 3.756,1087 12.166,1088 15.288,1090 23.847,1091 11.434,1092 2.387,1093 7.335,1094 22.259,1095 3.635,1096 13.229,1097 16.737,1098 13.675,1099 25.942,1100 12.466,1101 2.233,1102 6.806,1103 23.983,1104 3.49,1105 14.155,1106 17.897,1108 27.973,1109 13.308,1110 2.141,1111 6.283,1112 25.71,1113 3.04,1114 15.187,1115 19.293,1116 15.838,1117 30.056,1118 14.301,1119 1.312,1120 6.043,1121 27.441,1122 2.767,1123 16.146,1124 20.503,1126 32.11,1127 15.184,1128 11481,1129 19528,1130 20.86,1131 36.614,1132 45.102,1133 47.177,1134 45.385,1135 44.569,1136 44.535,1137 57.784,1138 12.223,1139 117.458,1140 41.229,1141 5.096,1142 6.698,1143 5.546,1144 4.802,1145 4.79,1146 6.756,1147 5.9,1148 13.812,1149 4.599,1150 13.082,1151 1.455,1152 1.522,1153 1.464,1154 1.438,1155 1.437,1156 1.864,1157 0.394,1158 3.789,1159 1.33,1160 3.989,1161 4.028,1162 4.338,1163 3.949,1164 7.398,1165 3.906,1166 3.92,1167 3.95,1168 3.893,1169 3.848,1170 4.963,1171 3.844,1172 3.902,1173 3.933,1174 3.842,1175 3.715,1176 4.877,1177 3.741,1178 3.583,1179 3.61,1180 3.699,1181 3.474,1182 4.747,1183 3.404,1184 3.453,1185 3.467,1186 3.436,1187 3.328,1188 4.594,1189 3.302,1190 3.304,1191 3.354,1192 3.171,1193 3.07,1194 4.406,1195 3.083,1196 3.107,1197 3.175,1198 2.923,1199 2.86,1200 4.238,1201 2.849,1202 3.002,1203 3.084,1204 2.811,1205 2.811,1206 3.752,1207 2.793,1208 0.134,1209 0.152,1210 0.191,1211 0.12,1212 0.09,1213 4.166,1214 0.121,1215 4.698,1216 0.095,1217 5.929,1218 0.265,1219 3.712,1220 0.084,1221 2.79,1222 3.756,1223 2.95,1224 8.23,1225 2.599,1226 1.928,1227 1.915,1228 2.018,1229 2.015,1230 1.215,1231 2.025,1232 1.899,1233 1.878,1234 2.006,1235 1.99,1236 1.162,1237 2.003,1238 1.684,1239 1.633,1240 1.863,1241 1.898,1242 1.121,1243 1.895,1244 1.415,1245 1.4,1246 1.597,1247 1.628,1248 0.814,1249 1.632,1250 1.352,1251 1.305,1252 1.563,1253 1.552,1254 0.699,1255 1.599,1256 1.281,1257 1.219,1258 1.541,1259 1.526,1260 0.608,1261 1.53,1262 1.207,1263 1.14,1264 1.453,1265 1.492,1266 0.536,1267 1.499,1268 1.068,1269 0.995,1270 1.386,1271 1.343,1272 0.512,1273 1.36,1274 4.143,1276 5.407,1277 2.398,1278 6.845,1279 4.443,1280 8.356,1281 6.26,1282 9.905,1284 3.325,1290 2.077,1292 17.189,1294 -0.123,1300 34.411,1301 87.656,1302 191.318,1303 256.465,1304 274.465,1305 284.465,1306 284.465,1307 53.575,1308 6.928,1309 62.58,1310 81.79,1311 17,1312 12.093,1313 4.248,1314 3.392,1315 52.416,1316 126,1317 149,1318 0.185,1319 216.907,1320 373.93,1321 521.013,1322 9058,1324 20.476,1325 0.706,1326 0.604,1327 20.765,1328 17.509,1329 14.135,1330 0.456,1331 0.352,1332 9.303,1333 12.817,1334 8.861,1335 7.394,1336 14.879,1337 10.9,1338 12.08,1339 0.302,1340 0.201,1341 12.938,1342 8.033,1343 9.727,1344 0.203,1345 0.112,1346 10.365,1347 5.382,1348 7.336,1349 0.133,1350 0.06,1351 7.766,1352 3.324,1353 5.304,1354 0.086,1355 0.034,1356 5.633,1357 2.137,1358 0.298,1359 96.966,1360 0.219,1361 28.249,1362 0.485,1363 142,1364 457.093,1365 182.001,1366 447.74,1367 594.36,1368 420,1369 159,1370 392.376,1371 198.03,1372 422.738,1373 596.56,1374 389,1375 5.066} {0 CHEMBL41093,1 1.414,2 18.757,3 5.85,4 34.217,5 145.16,6 6.607,7 0.436,8 4.4,9 4.518,10 3.854,11 3.88,12 5.408,13 3.845,14 4.971,15 5.157,16 4.108,17 4.23,18 5.928,19 4.161,20 5.183,21 5.411,22 4.117,23 4.336,24 6.068,25 4.222,26 5.261,27 5.511,28 4.057,29 4.302,30 6.133,31 4.18,32 5.214,33 5.465,34 4.03,35 4.268,36 6.062,37 4.151,38 5.157,39 5.398,40 4.049,41 4.288,42 6.015,43 4.166,44 5.199,45 5.445,46 4.068,47 4.309,48 6.102,49 4.187,50 5.151,51 5.396,52 4.051,53 4.307,54 6.016,55 4.191,56 0.029,57 1.019,58 18,59 7.674,60 11.02,61 10.3,62 0.485,63 1.583,64 33.761,65 12.053,66 43.284,67 16.517,68 0.506,69 1.836,70 41.685,71 15.193,72 49.701,73 21.246,74 0.573,75 1.866,76 45.813,77 15.429,78 66.123,79 21.791,80 0.593,81 1.787,82 43.785,83 14.667,84 59.819,85 20.726,86 0.521,87 1.79,88 40.678,89 14.434,90 50.484,91 20.582,92 0.66,93 1.847,94 42.775,95 14.695,96 68.543,97 21.079,98 0.444,99 1.813,100 40.397,101 14.136,102 50.176,103 20.284,104 22,105 48,106 0.219,107 0.51,108 0.731,109 0.817,110 0.866,111 0.874,112 3.641,113 1.017,114 -5.74,115 -5.61,116 -5.23,118 39,119 1,120 6,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 16,171 2,172 7,180 15,185 2,186 11,194 9,197 1,198 11,206 4,209 1,210 8,218 5,221 2,222 9,229 6,233 2,234 11,242 7,247 9,255 10,258 1,259 6,267 14,270 3417,271 25.62,272 25.62,273 25.62,274 25.62,275 25.62,276 23.46,277 24.247,278 16.126,279 26.33,280 19.203,281 19.203,282 19.203,283 19.203,284 19.203,285 15.931,286 25.344,287 7.644,288 20.198,289 4.853,290 2.967,291 1.539,292 0.981,293 0.669,294 0.617,295 4.328,301 1442,302 4.848,305 137.069,306 316.185,313 2.912,314 30.835,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 80,326 694,327 4.188,328 3.658,329 6.029,330 3.817,331 2.825,332 3.768,333 1.674,334 8.589,335 2.796,336 4.035,337 3.061,338 5.592,339 3.633,340 2.69,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.924,347 5.479,348 3.592,349 2.642,350 3.49,351 1.151,352 7.335,353 2.462,354 3.733,355 2.73,356 5.315,357 3.381,358 2.413,359 3.071,360 0.86,361 6.87,362 2.337,363 3.492,364 2.655,365 5.112,366 3.168,367 2.238,368 2.767,370 6.284,371 2.072,372 3.349,373 2.423,374 5.019,375 3.086,376 2.146,377 2.41,379 6.05,380 1.997,381 2.954,382 2.067,383 4.229,384 2.884,385 1.893,386 2.008,388 4.063,389 1.876,390 2.83,391 1.96,392 3.845,393 2.601,394 1.642,395 1.838,397 3.595,398 1.567,399 2.583,400 1.81,401 3.507,402 2.358,403 1.369,404 1.611,406 2.804,407 1.34,408 2.512,409 1.749,410 3.474,411 2.142,412 1.251,413 1.5,415 2.71,416 1.112,417 2.5,418 1.32,419 3.414,420 2,421 1.12,422 1.5,424 2.466,425 1,426 2.5,427 1.291,428 3.414,429 2,430 1,431 1.494,433 2.275,434 1,435 2.253,436 1.166,437 3.405,438 1.998,439 1,440 1.237,442 2.275,443 0.975,444 2.118,445 1,446 3.105,447 1.925,448 0.941,449 0.996,451 1.779,452 0.916,453 2.033,454 1,455 3,456 1.554,457 0.634,458 0.927,460 1.383,461 0.577,462 17.467,463 0.472,464 0.499,465 0.013,466 41,467 1.108,468 18,469 0.486,470 23,471 0.622,472 36.202,473 0.978,474 42.533,475 0.552,476 32.186,477 0.87,478 8.075,479 0.218,480 10.098,481 0.273,482 0.076,484 0.195,487 0.82,488 1.471,489 0.898,490 1.335,491 0.653,492 1.158,493 1.285,494 1.042,495 1.092,496 1.033,497 0.828,498 1.03,499 0.956,500 1.094,501 1,502 1.123,503 0.751,504 1.078,505 1.239,506 0.985,507 1.013,508 1.005,509 1.256,510 0.981,511 1.277,512 0.912,513 0.988,514 0.911,515 1.249,516 0.91,517 0.904,518 1.063,519 0.974,520 1.056,521 0.918,522 1.03,523 0.984,524 1.008,525 0.976,526 0.969,527 1.097,528 0.971,529 1.051,530 0.978,531 0.98,532 0.931,533 1.017,534 0.939,535 5.5,536 0.181,537 2.667,538 1.097,539 0.999,540 0.778,541 0.435,542 0.314,543 0.331,544 0.243,545 24786,546 56702,547 2.041,548 51.9,549 13,550 22,551 1,552 2,555 2,558 1.778,559 1.965,560 4.122,561 -0.805,567 108.849,568 1.414,569 3.3,570 4.727,571 5.286,572 5.598,573 5.65,574 3.648,575 4.831,576 5.17,577 4.323,578 2879.25,579 9.091,580 53371.4,585 482.543,586 1.08,587 5.166,588 0.141,589 0.004,590 0.056,591 0.024,592 0.024,593 0.019,594 0.01,595 0.007,596 0.007,597 0.005,598 0.297,599 0.17,600 0.63,601 1.789,602 212.138,603 0.012,604 -0.22,605 0.064,606 -0.136,607 0.018,608 -0.044,609 -0.057,610 0.063,611 -0.069,612 0.014,613 0.032,614 -0.023,615 0.056,616 -0.083,617 -0.013,618 -0.098,619 0.082,620 -0.07,621 -0.058,622 -0.034,624 -0.037,625 -0.033,626 -0.013,627 -0.077,628 0.038,629 0.029,630 0.053,631 -0.08,632 0.056,633 0.057,634 -0.056,635 0.009,636 -0.052,637 0.003,638 -0.033,639 0.054,640 -0.015,641 0.019,642 0.017,643 0.019,644 0.013,645 -0.097,646 0.042,647 0.005,648 0.067,649 -0.089,650 0.054,651 1.939,652 5.32,653 0.459,654 61.156,655 0.995,656 1.129,657 4.512,658 20.357,659 0.633,660 3.689,661 3.892,662 4.06,663 4.19,664 4.304,665 4.331,666 4.369,667 4.394,668 4.522,669 4.615,670 10.377,671 0.593,672 508.72,673 3.689,674 5.165,675 5.953,676 6.76,677 7.564,678 8.378,679 9.188,680 10.006,681 10.821,682 11.642,683 2.6,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 77,726 18,727 2,728 39,730 79,731 30,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 7,753 16,754 14,756 1,761 1,765 1,772 40,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 37,846 11,848 4,850 1,862 6.5,865 1,866 2,867 2,869 18.833,870 13.983,871 8.694,872 4.915,874 2.088,875 1.282,876 0.926,877 13.248,878 9.505,879 3.902,880 4.347,881 4.795,882 5.217,883 5.553,884 5.579,885 5.68,886 5.662,887 5.935,888 6.206,889 0.923,890 46,891 13.729,893 5.484,894 7.613,895 26.713,897 20.84,899 2.113,900 78.167,904 470.844,905 179.906,906 18.685,908 69.144,911 179.906,912 539.989,913 18.685,914 19.708,915 35.682,916 84.857,917 103.282,918 47.746,919 11.771,920 435.531,922 470.844,923 198.59,924 69.144,927 447.302,928 70.687,929 22,931 64.073,932 117.732,933 16.786,935 470.844,936 87.829,937 179.906,940 470.844,941 57.674,942 124.131,944 85.93,945 470.844,946 87.829,947 179.906,949 0.547,950 0.305,951 0.152,952 0.076,953 16,954 7,955 0.241,956 19,958 1,959 5.088,960 305.416,962 17,963 184.75,968 28.902,969 16.96,970 11.088,972 85.93,973 20.673,974 4.118,978 3.439,979 1.977,981 738.579,982 48.5,987 12.32,991 -0.272,994 76.629,995 86.932,996 0.226,997 0.527,998 0.754,999 0.844,1000 0.893,1001 0.902,1002 5.077,1003 1.642,1004 5.855,1005 4.063,1006 4.575,1007 5.034,1008 2.594,1009 6.506,1010 4.481,1011 6.193,1012 1.369,1013 7.31,1014 3.595,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.427,1021 1.251,1022 8.86,1023 2.804,1024 6.014,1025 7.035,1026 3.212,1027 10.088,1028 5.842,1029 8.697,1030 1.12,1031 10.469,1032 2.71,1033 6.089,1034 7.36,1036 11.504,1037 5.901,1038 10.001,1039 1,1040 12.117,1041 2.466,1042 7.687,1043 9.316,1044 4.011,1045 13.961,1046 7.451,1047 11.328,1048 1,1049 13.791,1050 2.275,1051 8.192,1052 10.056,1054 15.734,1055 7.939,1056 12.672,1057 0.941,1058 15.483,1059 2.275,1060 9.492,1061 11.734,1062 4.923,1063 17.983,1064 9.203,1065 2.825,1066 0.634,1067 17.188,1068 1.779,1069 10.226,1070 12.693,1072 19.924,1073 9.919,1074 2.69,1075 8.589,1076 18.904,1077 1.383,1078 11.378,1079 14.225,1080 5.898,1081 22.09,1082 11.045,1083 2.642,1084 7.725,1085 20.626,1086 3.768,1087 12.236,1088 15.31,1090 24.117,1091 11.888,1092 2.413,1093 7.335,1094 22.356,1095 3.635,1096 13.316,1097 16.758,1098 6.902,1099 26.252,1100 12.947,1101 2.238,1102 6.87,1103 24.091,1104 3.49,1105 14.243,1106 17.921,1108 28.325,1109 13.86,1110 2.146,1111 6.284,1112 25.83,1113 3.071,1114 15.286,1115 19.317,1116 7.92,1117 30.451,1118 14.887,1119 1.893,1120 6.05,1121 27.574,1122 2.767,1123 16.251,1124 20.531,1126 32.55,1127 15.84,1128 24346,1129 37150,1130 26.405,1131 48.75,1132 55.022,1133 56.311,1134 55.808,1135 54.506,1136 54.554,1137 67.751,1138 9.672,1139 138.096,1140 51.895,1141 5.133,1142 5.658,1143 6,1144 4.907,1145 4.825,1146 6.768,1147 3.349,1148 14.499,1149 4.796,1150 15.583,1151 1.411,1152 1.444,1153 1.431,1154 1.398,1155 1.399,1156 1.737,1157 0.248,1158 3.541,1159 1.331,1160 3.991,1161 4.032,1162 3.925,1163 3.892,1164 7.433,1165 3.893,1166 3.915,1167 3.951,1168 3.857,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.713,1176 4.878,1177 3.74,1178 3.778,1179 3.842,1180 3.614,1181 3.655,1182 4.756,1183 3.636,1184 3.596,1185 3.651,1186 3.482,1187 3.423,1188 4.6,1189 3.412,1190 3.556,1191 3.6,1192 3.406,1193 3.355,1194 4.446,1195 3.369,1196 3.372,1197 3.408,1198 3.252,1199 3.161,1200 4.379,1201 3.178,1202 3.302,1203 3.357,1204 3.157,1205 3.071,1206 4.236,1207 3.08,1208 0.107,1209 0.094,1210 0.155,1211 0.098,1212 0.072,1213 4.188,1214 0.097,1215 3.658,1216 0.043,1217 6.029,1218 0.22,1219 3.817,1220 0.072,1221 2.825,1222 3.768,1223 1.674,1224 8.589,1225 2.796,1226 1.923,1227 1.903,1228 2.05,1229 2.026,1230 1.395,1231 2.027,1232 1.899,1233 1.878,1234 2.028,1235 2,1236 1.209,1237 2.005,1238 1.791,1239 1.729,1240 2.014,1241 1.951,1242 1.175,1243 1.985,1244 1.683,1245 1.631,1246 1.882,1247 1.903,1248 1.141,1249 1.895,1250 1.592,1251 1.525,1252 1.864,1253 1.788,1254 1.115,1255 1.821,1256 1.371,1257 1.323,1258 1.632,1259 1.629,1260 0.867,1261 1.614,1262 1.314,1263 1.265,1264 1.597,1265 1.569,1266 0.702,1267 1.581,1268 1.281,1269 1.219,1270 1.551,1271 1.528,1272 0.631,1273 1.535,1274 4.369,1276 5.602,1277 2.398,1278 7.008,1279 4.443,1280 8.493,1281 6.26,1282 10.023,1284 3.86,1290 9.438,1292 22.772,1294 -0.158,1300 45.626,1301 108.849,1302 254.098,1303 364.013,1304 407.033,1305 431.033,1306 435.033,1307 84.14,1308 7.417,1309 71.81,1310 71.81,1311 17,1312 12.224,1313 4.248,1314 3.392,1315 77.355,1316 225,1317 289,1318 0.158,1319 283.584,1320 499.97,1321 683.704,1322 18686,1324 26.133,1325 0.706,1326 0.598,1327 26.133,1328 22.142,1329 18.173,1330 0.466,1331 0.339,1332 13.007,1333 17.382,1334 12.672,1335 10.629,1336 18.173,1337 13.217,1338 14.724,1339 0.307,1340 0.191,1341 14.724,1342 9.156,1343 11.852,1344 0.208,1345 0.107,1346 11.852,1347 6.112,1348 8.898,1349 0.137,1350 0.06,1351 8.898,1352 3.895,1353 6.463,1354 0.089,1355 0.034,1356 6.463,1357 2.485,1358 0.262,1359 114.662,1360 0.195,1361 35.196,1362 0.398,1363 174,1364 529.968,1365 192.692,1366 491.107,1367 655.04,1368 464,1369 192,1370 451.748,1371 211.307,1372 457.656,1373 657.26,1374 425,1375 4.678} {0 CHEMBL411,1 1.234,2 8.3,3 5.087,4 25.873,5 82.667,6 6.709,7 0.571,8 3.74,9 3.852,10 3.195,11 3.336,12 4.86,13 3.279,14 4.213,15 4.384,16 3.499,17 3.693,18 5.255,19 3.607,20 4.469,21 4.672,22 3.586,23 3.835,24 5.48,25 3.731,26 4.508,27 4.698,28 3.542,29 3.903,30 5.438,31 3.771,32 4.687,33 4.922,34 3.537,35 4.006,36 5.516,37 3.833,38 4.819,39 5.102,40 3.412,41 3.961,42 5.616,43 3.751,44 4.675,45 4.979,46 3.162,47 3.649,48 5.541,49 3.443,50 4.239,51 4.509,52 2.791,53 3.094,54 5.363,55 2.953,56 0.053,57 0.48,58 8.888,59 4.128,60 10.224,61 5.362,62 0.056,63 0.768,64 14.544,65 6.688,66 14.139,67 8.998,68 0.138,69 0.963,70 19.46,71 8.359,72 28.209,73 11.244,74 0.121,75 1.021,76 19.908,77 8.913,78 21.556,79 12.063,80 0.092,81 1.226,82 23.88,83 10.852,84 20.218,85 15.179,86 0.142,87 1.352,88 28.122,89 11.983,90 32.046,91 17.007,92 0.209,93 1.114,94 25.233,95 9.757,96 41.881,97 13.696,98 0.245,99 0.671,100 16.93,101 5.662,102 49.438,103 7.412,104 21,105 28,106 0.221,107 0.527,108 0.606,109 0.642,110 0.642,111 0.642,112 3.058,113 0.994,114 -5.19,115 -5.08,116 -4.75,118 45,119 2,120 2,134 2,140 8,141 2,142 2,168 15,177 4,180 20,191 4,194 24,203 2,206 24,215 2,218 21,227 4,229 12,239 6,242 4,252 6,264 4,270 508,271 13.516,272 13.516,273 13.516,274 13.516,275 13.516,276 11.781,277 10.022,278 7.938,279 13.597,280 10.196,281 10.196,282 10.196,283 10.196,284 10.196,285 7.597,286 4.405,287 3.553,288 10.359,289 4.087,290 2.38,291 1.938,292 1.738,293 1.738,294 1.738,295 3.714,299 1,300 1,301 340,302 3.162,306 143.278,313 1.16,314 14.191,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42,326 166,327 4.478,328 3.258,329 6.676,330 4.1,331 3.1,332 4.065,334 10.757,335 3.098,336 4.011,337 2.736,338 5.777,339 3.604,340 2.616,341 3.614,343 7.844,344 2.585,345 3.768,346 2.602,347 5.1,348 3.32,349 2.357,350 3.237,352 6.211,353 2.265,354 3.422,355 2.335,356 4.981,357 3.071,358 2.106,359 2.706,361 5.856,362 2.023,363 2.952,364 1.713,365 4.517,366 2.507,367 1.523,368 2.086,370 4.269,371 1.494,372 2.5,373 1.436,374 3.736,375 2.097,376 1.101,377 1.5,379 2.307,380 1.095,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.186,391 1,392 3.414,393 2,394 1,395 1.169,397 2.275,398 1,399 1.42,400 0.371,401 2.523,402 1.264,403 0.271,404 0.296,406 0.364,407 0.268,408 1.224,409 0.229,410 2.489,411 0.963,417 1.05,418 -0.037,419 2.283,420 0.632,421 -0.31,422 -0.39,424 -0.64,425 -0.288,426 0.5,427 -0.459,428 2,429 0.276,430 -0.684,431 -0.758,433 -1.288,434 -0.651,435 0.5,436 -1,437 2,439 -1,440 -1.5,442 -3,443 -1,444 0.444,445 -1,446 1.624,448 -1,449 -1.5,451 -3,452 -1,453 -0.045,454 -1.051,455 1.576,456 -0.375,457 -1.298,458 -1.534,460 -3.078,461 -1.202,462 9.667,463 0.483,464 0.435,465 0.022,466 25.5,467 1.275,468 14.5,469 0.725,470 11,471 0.55,472 15.5,473 0.775,474 21.533,475 0.538,476 16.963,477 0.848,478 4.927,479 0.246,480 4.724,481 0.236,482 0.172,484 0.31,487 0.988,488 0.961,489 0.952,490 0.959,491 1.04,492 0.953,493 0.559,494 1.043,495 0.85,496 1.036,497 0.515,498 0.983,499 0.926,500 0.94,501 0.928,502 0.939,503 0.885,504 0.934,505 0.758,506 1.155,507 1.153,508 1.17,509 0.775,510 1.199,511 0.274,512 1.184,513 1.042,514 1.2,515 0.311,516 1.203,517 0.359,518 1.09,519 0.937,520 1.098,521 0.435,522 1.082,523 0.888,524 0.923,525 0.868,526 0.917,527 0.918,528 0.894,529 2.3,530 0.871,531 1.133,532 0.85,533 2.185,534 0.864,535 4,536 0.041,537 2.667,538 1.375,539 1.164,540 0.639,541 0.444,542 0.292,543 0.131,544 0.04,545 3281,546 8466,547 1.966,548 50,549 10,550 8,553 2,558 1.623,559 1.818,560 3.027,561 0.213,567 49.38,568 1.234,569 2.941,570 3.384,571 3.584,572 3.584,573 3.584,574 2.446,575 2.922,576 4.292,577 3.117,578 592.297,579 7.361,580 5991.59,582 1,585 212.877,586 1.485,587 4.237,588 0.19,589 0.021,590 0.095,591 0.046,592 0.042,593 0.024,594 0.02,595 0.018,596 0.013,597 0.008,598 0.477,599 0.67,600 1,601 1.013,602 87.569,603 -0.105,604 0.119,605 -0.013,606 0.11,607 -0.154,608 0.066,609 0.041,610 -0.002,611 0.073,612 0.006,613 0.096,614 0.038,615 -0.048,616 0.07,617 0.03,618 0.069,619 -0.01,620 0.059,621 -0.099,622 -0.134,623 -0.227,624 -0.147,625 -0.109,626 -0.194,627 0.02,628 -0.186,629 -0.145,630 -0.189,631 0.016,632 -0.185,633 0.071,634 -0.133,635 -0.012,636 -0.125,637 0.026,638 -0.084,639 0.042,640 0.002,641 0.119,642 0.016,643 0.017,644 0.067,645 -0.197,646 0.04,647 -0.03,648 0.04,649 -0.131,650 0.025,651 1.383,652 3.411,653 0.6,654 13.8,655 0.987,656 1.114,657 3.956,658 15.651,659 0.663,660 3.091,661 3.367,662 3.611,663 3.807,664 3.989,665 3.892,666 3.892,667 3.807,668 3.497,669 3.219,670 4.849,671 0.617,672 268.38,673 3.091,674 4.595,675 5.425,676 6.282,677 7.133,678 7.995,679 8.854,680 9.717,681 10.578,682 11.443,699 8,704 4,706 12,721 2,724 40,726 13,727 2,728 21,730 41,731 18,733 12,734 4,735 8,736 2,739 2,740 2,745 2,751 2,753 14,754 4,756 1,765 2,772 20,773 2,774 2,775 2,784 1,785 2,802 2,823 2,832 2,836 2,840 20,845 2,846 2,862 5,864 2,869 11,870 7.567,871 4.667,872 2.649,874 2.553,875 1.419,876 0.912,877 4.723,878 8.647,879 3.367,880 3.951,881 4.516,882 5.035,883 5.575,884 5.712,885 6.015,886 6.3,887 6.46,888 6.593,889 0.833,890 30,891 7.362,893 2.983,894 7.75,895 14.168,897 11.234,899 2.25,900 45,901 0.001,904 211.88,905 111.272,908 85.367,911 111.272,912 297.247,914 17.65,915 5.069,916 75.81,917 85.367,918 12.742,920 211.88,922 211.88,923 111.272,924 85.367,927 211.88,928 85.367,931 22.719,932 88.552,935 211.88,936 85.367,937 111.272,940 211.88,941 17.811,942 93.46,944 85.367,945 211.88,946 85.367,947 111.272,949 0.566,950 0.343,951 0.186,952 0.104,953 12,954 6,955 0.098,956 4,958 1,959 3.123,960 143.571,962 12,963 58.439,968 14.512,969 6.509,970 3.368,972 85.367,973 14.664,978 2.837,980 85.367,981 408.518,982 28,991 2.552,994 39.491,995 44.571,996 0.232,997 0.553,998 0.636,999 0.673,1000 0.673,1001 0.673,1002 4.564,1003 1,1004 5.398,1005 2.275,1006 4.043,1007 4.635,1009 6.184,1010 4.015,1011 5.773,1012 0.271,1013 6.948,1014 2.275,1015 3.611,1016 4.369,1018 7.111,1019 3.544,1020 7.078,1022 8.6,1023 0.364,1024 5.609,1025 6.822,1027 10.176,1028 5.564,1029 8.422,1030 -0.31,1031 10.312,1033 5.994,1034 7.335,1036 11.955,1037 5.926,1038 9.796,1039 -0.684,1040 12.065,1041 -0.64,1042 7.46,1043 9.258,1045 14.561,1046 7.408,1047 11.192,1048 -1,1049 13.848,1050 -1.288,1051 8.223,1052 10.146,1054 16.689,1055 8.163,1056 12.603,1057 -1,1058 15.652,1059 -3,1060 9.474,1061 11.821,1063 19.146,1064 9.424,1065 3.1,1066 -1.298,1067 17.474,1068 -3,1069 10.421,1070 12.916,1072 21.417,1073 10.37,1074 2.616,1075 10.757,1076 19.309,1077 -3.078,1078 11.586,1079 14.461,1081 23.822,1082 11.542,1083 2.357,1084 7.844,1085 21.155,1086 4.065,1087 12.622,1088 15.677,1090 26.153,1091 12.581,1092 2.106,1093 6.211,1094 23.011,1095 3.614,1096 13.755,1097 17.15,1099 28.539,1100 13.718,1101 1.523,1102 5.856,1103 24.873,1104 3.237,1105 14.836,1106 18.439,1108 30.894,1109 14.801,1110 1.101,1111 4.269,1112 26.742,1113 2.706,1114 15.959,1115 19.874,1117 33.274,1118 15.928,1119 1,1120 2.307,1121 28.616,1122 2.086,1123 17.062,1124 21.206,1126 35.64,1127 17.033,1128 3389,1129 5516,1130 13.523,1131 26.523,1132 30.473,1133 30.427,1134 32.564,1135 30.269,1136 30.148,1137 40.347,1139 84.314,1140 29.657,1141 5.172,1142 5.258,1143 6.208,1144 5.1,1145 5.1,1146 7.065,1148 17.897,1149 5.098,1150 10.878,1151 1.451,1152 1.449,1153 1.551,1154 1.441,1155 1.436,1156 1.921,1158 4.015,1159 1.412,1160 4.015,1161 4.037,1162 3.96,1163 3.966,1164 6.473,1165 3.962,1166 3.851,1167 3.873,1168 3.79,1169 3.786,1170 6.468,1171 3.783,1172 3.592,1173 3.641,1174 3.478,1175 3.487,1176 4.718,1177 3.478,1178 3.384,1179 3.475,1180 3.15,1181 3.218,1182 4.569,1183 3.189,1184 3.04,1185 3.095,1186 2.87,1187 2.87,1188 4.174,1189 2.858,1190 2.884,1191 2.925,1192 2.785,1193 2.735,1194 3.959,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.674,1201 2.715,1202 2.854,1203 2.905,1204 2.687,1205 2.693,1206 3.674,1207 2.707,1208 0.213,1209 0.155,1210 0.318,1211 0.195,1212 0.148,1213 4.478,1214 0.194,1215 3.258,1217 6.676,1218 0.512,1219 4.1,1220 0.148,1221 3.1,1222 4.065,1224 10.757,1225 3.098,1226 1.991,1227 1.971,1228 2.095,1229 2.06,1230 1.305,1231 2.072,1232 1.846,1233 1.825,1234 1.959,1235 1.936,1236 1.05,1237 1.944,1238 1.601,1239 1.555,1240 1.831,1241 1.754,1242 0.949,1243 1.782,1244 1.423,1245 1.337,1246 1.768,1247 1.639,1248 0.92,1249 1.688,1250 1.025,1251 0.967,1252 1.286,1253 1.238,1254 0.408,1255 1.251,1256 0.886,1257 0.821,1258 1.181,1259 1.078,1260 0.218,1261 1.107,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.802,1269 0.776,1270 1.03,1271 1.062,1272 0.142,1273 1.049,1274 3.761,1276 5.043,1278 6.538,1280 8.123,1282 9.751,1284 4.274,1289 18.821,1290 1.851,1300 24.698,1301 49.38,1302 117.658,1303 135.367,1304 143.367,1305 143.367,1306 143.367,1307 33.337,1308 6.094,1309 40.46,1310 40.46,1311 12,1312 11.991,1313 3.807,1314 3,1315 36.172,1316 56,1317 60,1318 0.319,1319 156.147,1320 272.54,1321 372.757,1322 2638,1324 14.535,1325 0.727,1326 0.596,1327 14.535,1328 11.927,1329 9.651,1330 0.46,1331 0.331,1332 6.931,1333 9.509,1334 6.683,1335 5.633,1336 9.651,1337 6.961,1338 8.184,1339 0.292,1340 0.17,1341 8.184,1342 4.758,1343 6.825,1344 0.19,1345 0.097,1346 6.825,1347 3.503,1348 5.399,1349 0.123,1350 0.057,1351 5.399,1352 2.509,1353 4.362,1354 0.082,1355 0.031,1356 4.362,1357 1.641,1358 0.481,1359 59.063,1360 0.272,1361 19.669,1362 0.932,1363 98,1364 244.299,1365 102.207,1366 245.215,1367 335.24,1368 228,1369 113,1370 246.061,1371 116.322,1372 253.624,1373 365.32,1374 240,1375 5.361} {0 CHEMBL412099,1 1.437,2 8.714,3 5.51,4 30.356,5 108.763,6 9.714,7 0.813,8 3.801,9 3.882,10 3.608,11 3.556,12 5.092,13 3.54,14 4.261,15 4.355,16 4.015,17 3.975,18 5.456,19 3.944,20 4.531,21 4.668,22 4.148,23 4.132,24 5.719,25 4.088,26 4.588,27 4.734,28 4.189,29 4.118,30 5.875,31 4.088,32 4.595,33 4.765,34 4.144,35 4.071,36 5.962,37 4.03,38 4.481,39 4.665,40 3.976,41 3.954,42 5.777,43 3.879,44 4.261,45 4.416,46 3.842,47 3.847,48 5.461,49 3.771,50 4.218,51 4.365,52 3.695,53 3.776,54 5.564,55 3.703,56 0.024,57 0.457,58 3.379,59 2.295,60 8.165,61 2.587,62 0.047,63 0.737,64 5.859,65 3.911,66 9.254,67 4.643,68 0.102,69 1.007,70 13.664,71 6.189,72 23.964,73 7.398,74 0.116,75 1.161,76 12.546,77 6.107,78 32.553,79 6.741,80 0.263,81 1.296,82 13.027,83 6.164,84 46.733,85 6.44,86 0.248,87 1.068,88 15.905,89 6.398,90 59.813,91 7.153,92 0.136,93 0.731,94 13.673,95 5.401,96 24.611,97 6.764,98 0.07,99 0.718,100 10.534,101 4.752,102 19.86,103 5.843,104 14,105 47,106 0.243,107 0.546,108 0.666,109 0.801,110 0.843,111 0.851,112 3.376,113 0.846,114 -5.78,115 -5.64,116 -5.26,118 59,140 10,141 7,142 1,144 1,150 1,154 2,157 1,168 17,172 4,175 1,177 2,180 22,186 9,191 5,194 17,198 10,203 6,206 12,209 2,210 5,213 2,215 4,218 16,221 1,222 2,229 21,234 4,239 1,242 21,247 8,255 15,259 8,267 8,270 966,271 19.533,272 19.533,273 19.533,274 19.533,275 19.533,276 16.439,277 8.25,278 11.256,279 19.788,280 15.7,281 15.7,282 15.7,283 15.7,284 15.7,285 10.787,286 6.199,287 5.155,288 16.192,289 3.849,290 2.063,291 1.352,292 0.552,293 0.308,294 0.256,295 4.089,297 1,299 1,300 1,301 540,302 2.739,305 35.103,306 209.564,309 64.073,310 151.374,313 1.327,314 23.919,317 0.75,318 0.83,319 1,320 0.4,322 1,323 1,324 0.71,325 58.333,326 244,327 4.878,328 4.105,329 7.074,330 4.374,331 3.391,332 5.049,333 2.035,334 12.257,335 3.334,336 4.522,337 4.036,338 6.774,339 4.104,340 3.113,341 4.249,342 2.035,343 11.123,344 3.084,345 4.096,346 3.394,347 6.114,348 3.576,349 2.614,350 3.841,352 8.816,353 2.517,354 4.031,355 3.05,356 6.077,357 3.519,358 2.534,359 3.78,361 8.63,362 2.488,363 3.734,364 2.883,365 5.164,366 3.053,367 2.101,368 2.908,370 6.02,371 2.043,372 3.52,373 2.537,374 5.152,375 2.996,376 2.061,377 2.866,379 6.008,380 1.862,381 3.405,382 2.392,383 4.98,384 2.867,385 1.899,386 2.671,388 5.751,389 1.764,390 3.146,391 2.067,392 4.251,393 2.508,394 1.513,395 2.267,397 3.562,398 1.506,399 3.012,400 1.909,401 4.197,402 2.269,403 1.281,404 1.921,406 3.239,407 1.261,408 2.762,409 1.513,410 3.793,411 2.071,412 1.096,413 1.647,415 2.699,416 1.058,417 2.738,418 1.288,419 3.659,420 2,421 1,422 1.5,424 2.536,425 1,426 2.5,427 1.121,428 3.565,429 1.729,430 0.801,431 1.2,433 2.257,434 0.736,435 2.481,436 1,437 3.159,438 1.526,439 0.583,440 1.071,442 1.049,443 0.548,444 2.291,445 0.826,446 2.789,447 1.343,448 0.396,449 0.806,451 0.578,452 0.374,453 1.304,454 0.365,455 2.631,456 0.778,457 -0.132,458 -0.18,460 -0.322,461 -0.1,462 13.814,463 0.493,464 0.637,465 0.023,466 45.75,467 1.634,468 28,469 1,470 17.75,471 0.634,472 18.492,473 0.66,474 25.186,475 0.646,476 33.548,477 1.198,478 8.772,479 0.313,480 4.935,481 0.176,482 0.11,484 0.398,487 0.648,488 0.85,489 0.51,490 0.669,491 0.439,492 0.643,493 0.555,494 0.914,495 0.618,496 0.841,497 0.406,498 0.826,499 0.857,500 1.034,501 0.89,502 0.972,503 0.584,504 0.916,505 1.063,506 1.318,507 0.819,508 1.039,509 0.866,510 0.981,511 1.144,512 0.977,513 0.87,514 0.889,515 0.928,516 0.963,517 1.162,518 0.807,519 1.103,520 0.917,521 1.084,522 0.987,523 0.768,524 0.759,525 1.108,526 0.978,527 0.704,528 0.947,529 0.794,530 1.102,531 1.084,532 1.234,533 1.085,534 1.203,535 4.5,536 0.107,537 3.333,538 2.597,539 2.011,540 1.414,541 0.812,542 0.52,543 0.242,544 0.227,545 8735,546 27442,547 2.177,548 28.2,550 10,553 1,558 1.719,559 2.049,560 3.109,561 -0.394,567 56.035,568 1.437,569 3.223,570 3.933,571 4.734,572 4.978,573 5.029,574 2.544,575 4.28,576 4.781,577 3.257,578 1231.2,579 8.358,580 15270.8,585 206.131,586 1.375,587 4.745,588 0.141,589 0.011,590 0.071,591 0.049,592 0.037,593 0.029,594 0.021,595 0.014,596 0.007,597 0.01,598 0.39,599 0.33,600 0.75,601 0.789,602 135.878,603 -0.054,604 0.025,605 0.007,606 0.049,607 0.04,608 0.049,609 0.062,610 -0.051,611 -0.011,612 -0.071,613 -0.003,614 -0.072,615 -0.045,616 -0.123,617 -0.04,618 -0.064,619 -0.002,620 -0.009,621 -0.1,622 -0.283,623 -0.053,624 -0.162,625 -0.046,626 -0.115,627 -0.023,628 0.151,629 -0.053,630 0.027,631 0.05,632 -0.061,633 -0.06,634 0.217,635 -0.015,636 0.122,637 0.012,638 0.054,639 0.09,640 0.08,641 0.027,642 0.055,643 0.02,644 0.097,645 -0.048,646 -0.234,647 -0.184,648 -0.274,649 -0.046,650 -0.227,651 1.255,652 3.533,653 0.821,654 21.857,655 1.007,656 1.092,657 4.547,658 20.678,659 0.793,660 3.497,661 3.871,662 4.263,663 4.644,664 4.97,665 5.17,666 5.421,667 5.642,668 5.811,669 5.905,670 5.446,671 0.77,672 378.83,673 3.497,674 5.069,675 5.974,676 6.901,677 7.828,678 8.764,679 9.699,680 10.64,681 11.58,682 12.524,683 10.3,691 1,692 2,693 1,698 6,699 10,700 1,701 1,704 5,706 26,707 2,723 1,724 39,726 28,727 4,728 32,730 43,731 23,733 21,734 10,735 10,739 5,740 12,741 1,752 2,753 21,772 11,773 3,774 1,775 5,776 1,778 1,779 4,784 0.4,801 1,802 4,805 1,806 2,832 2,837 1,840 28,853 2,858 2,860 2,861 1,869 13.667,870 7.576,871 6.167,872 2.382,874 5.902,875 1.698,876 1.086,877 3.642,878 14.351,879 3.912,880 4.613,881 5.404,882 6.171,883 6.892,884 7.459,885 8.081,886 8.676,887 9.213,888 9.668,889 0.833,890 53,891 10.259,893 4.542,894 7.819,895 19.376,897 16.534,899 2.319,900 64.944,904 117.711,905 157.931,906 95.69,907 39.149,911 157.931,912 156.86,913 95.69,916 94.762,917 52.317,918 104.398,919 2.144,920 117.711,921 39.149,922 117.711,923 253.621,925 39.149,927 117.711,931 83.376,932 153.459,933 55.934,935 117.711,936 95.69,937 197.08,940 117.711,941 29.965,942 94.762,943 49.989,944 118.053,945 117.711,946 95.69,947 197.08,949 0.582,950 0.368,951 0.222,952 0.13,953 26,954 11,955 0.023,956 1,957 3,958 1.261,959 3.789,960 275.29,961 0.261,962 23,963 126.606,968 16.483,969 6.186,970 2.413,971 5.723,972 78.904,973 18.882,974 4.807,975 3.365,978 2.519,980 16.786,981 410.481,982 49,994 39.265,995 42.598,996 0.272,997 0.61,998 0.744,999 0.896,1000 0.942,1001 0.951,1002 5.168,1003 1.513,1004 5.979,1005 5.751,1006 4.554,1007 5.301,1008 2.866,1009 6.887,1010 4.498,1011 6.441,1012 1.281,1013 7.59,1014 3.562,1015 4.205,1016 5.247,1018 7.962,1019 4.112,1020 7.791,1021 1.096,1022 9.305,1023 3.239,1024 6.229,1025 7.721,1026 4.242,1027 11.144,1028 6.14,1029 9.183,1030 1,1031 11.081,1032 2.699,1033 6.735,1034 8.561,1036 13.056,1037 6.623,1038 10.607,1039 0.801,1040 12.897,1041 2.536,1042 8.22,1043 10.467,1044 5.652,1045 15.763,1046 8.106,1047 12.058,1048 0.583,1049 14.74,1050 2.257,1051 9.112,1052 11.72,1054 18.008,1055 8.983,1056 13.529,1057 0.396,1058 16.602,1059 1.049,1060 10.4,1061 13.416,1062 7.07,1063 20.562,1064 10.264,1065 3.391,1066 -0.132,1067 18.479,1068 0.578,1069 11.465,1070 14.861,1072 22.944,1073 11.315,1074 3.113,1075 12.257,1076 20.367,1077 -0.322,1078 12.685,1079 16.484,1080 8.49,1081 25.448,1082 12.525,1083 2.614,1084 11.123,1085 22.264,1086 5.049,1087 13.826,1088 18.017,1090 27.888,1091 13.651,1092 2.534,1093 8.816,1094 24.168,1095 4.249,1096 15.027,1097 19.62,1098 9.911,1099 30.378,1100 14.839,1101 2.101,1102 8.63,1103 26.078,1104 3.841,1105 16.2,1106 21.193,1108 32.844,1109 15.997,1110 2.061,1111 6.02,1112 27.993,1113 3.78,1114 17.398,1115 22.794,1116 11.331,1117 35.331,1118 17.18,1119 1.899,1120 6.008,1121 29.912,1122 2.908,1123 18.588,1124 24.387,1126 37.81,1127 18.354,1128 8205,1129 14641,1130 21.789,1131 30.926,1132 51.357,1133 54.598,1134 51.541,1135 48.919,1136 48.769,1137 71.551,1138 8.139,1139 149.052,1140 47.153,1141 5.556,1142 6.105,1143 6.752,1144 5.4,1145 5.391,1146 8.049,1147 4.069,1148 20.257,1149 5.334,1150 11.866,1151 1.605,1152 1.706,1153 1.611,1154 1.529,1155 1.524,1156 2.236,1157 0.254,1158 4.658,1159 1.474,1160 4.265,1161 4.288,1162 4.26,1163 4.208,1164 6.825,1165 4.214,1166 3.949,1167 3.97,1168 3.941,1169 3.901,1170 6.815,1171 3.902,1172 3.73,1173 3.756,1174 3.829,1175 3.683,1176 5.137,1177 3.672,1178 3.645,1179 3.694,1180 3.604,1181 3.505,1182 4.861,1183 3.522,1184 3.279,1185 3.325,1186 3.281,1187 3.133,1188 4.679,1189 3.16,1190 3.074,1191 3.129,1192 3.269,1193 2.972,1194 4.549,1195 2.966,1196 3.016,1197 3.058,1198 3.005,1199 2.914,1200 4.239,1201 2.914,1202 2.907,1203 2.947,1204 2.877,1205 2.811,1206 3.791,1207 2.801,1208 0.152,1209 0.128,1210 0.221,1211 0.137,1212 0.106,1213 4.878,1214 0.158,1215 4.105,1216 0.064,1217 7.074,1218 0.383,1219 4.374,1220 0.104,1221 3.391,1222 5.049,1223 2.035,1224 12.257,1225 3.334,1226 2.171,1227 2.159,1228 2.215,1229 2.214,1230 1.421,1231 2.217,1232 1.94,1233 1.92,1234 2.004,1235 2.012,1236 1.111,1237 2.01,1238 1.739,1239 1.714,1240 1.847,1241 1.816,1242 0.942,1243 1.832,1244 1.396,1245 1.356,1246 1.511,1247 1.587,1248 0.617,1249 1.571,1250 1.261,1251 1.211,1252 1.342,1253 1.424,1254 0.403,1255 1.41,1256 1.2,1257 1.163,1258 1.256,1259 1.366,1260 0.323,1261 1.331,1262 1.018,1263 0.977,1264 1.227,1265 1.178,1266 0.166,1267 1.172,1268 0.968,1269 0.916,1270 1.092,1271 1.14,1272 0.156,1273 1.15,1274 4.174,1276 5.533,1277 2.398,1278 7.114,1279 4.727,1280 8.802,1281 6.88,1282 10.548,1285 6.25,1298 19.066,1299 4.333,1300 30.02,1301 56.035,1302 125.692,1303 153.402,1304 184.621,1305 194.131,1306 196.131,1307 40.902,1308 8.449,1309 76.26,1310 76.26,1311 29,1312 13.018,1313 4.858,1314 4.17,1315 37.318,1316 96,1317 82,1318 0.205,1319 186.026,1320 309.77,1321 445.664,1322 55002,1323 2.6,1324 19.25,1325 0.688,1326 0.545,1327 19.75,1328 15.249,1329 13.707,1330 0.428,1331 0.282,1332 8.626,1333 13.195,1334 8.406,1335 6.923,1336 13.996,1337 9.021,1338 12.262,1339 0.261,1340 0.148,1341 12.67,1342 6.933,1343 11.273,1344 0.161,1345 0.074,1346 11.536,1347 5.204,1348 10.302,1349 0.1,1350 0.038,1351 10.521,1352 3.929,1353 9.059,1354 0.063,1355 0.02,1356 9.33,1357 2.889,1358 0.308,1359 86.941,1360 0.214,1361 25.734,1362 0.613,1363 158,1364 429.472,1365 179.07,1366 470.478,1367 647.65,1368 438,1369 196,1370 466.75,1371 212.114,1372 492.906,1373 727.15,1374 466,1375 4.398} {0 CHEMBL41231,1 1.517,2 15.735,3 3.265,4 10.663,5 127.443,6 7.29,7 0.472,8 4.239,9 4.341,10 3.777,11 3.716,12 5.349,13 3.71,14 4.785,15 4.946,16 4.063,17 4.047,18 5.908,19 4.023,20 4.955,21 5.141,22 4.079,23 4.142,24 6.017,25 4.085,26 5.032,27 5.235,28 4.045,29 4.107,30 6.135,31 4.053,32 4.998,33 5.202,34 3.97,35 4.102,36 6.026,37 4.034,38 4.956,39 5.172,40 3.949,41 4.165,42 5.862,43 4.054,44 5.089,45 5.338,46 3.944,47 4.161,48 6.055,49 4.038,50 4.901,51 5.139,52 3.901,53 4.106,54 5.77,55 4.001,56 0.051,57 0.851,58 13.357,59 6.157,60 10.482,61 7.711,62 0.63,63 1.305,64 26.655,65 9.481,66 52.442,67 12.11,68 0.584,69 1.474,70 32.166,71 11.744,72 52.14,73 15.329,74 0.678,75 1.506,76 36.173,77 11.959,78 83.967,79 15.613,80 0.766,81 1.469,82 35.219,83 11.586,84 83.308,85 15.076,86 0.332,87 1.555,88 31.57,89 12.318,90 40.51,91 17.052,92 0.981,93 1.641,94 39.277,95 13.046,96 90.526,97 18.579,98 0.349,99 1.482,100 30.579,101 11.289,102 38.383,103 16.028,104 29,105 46,106 0.242,107 0.551,108 0.717,109 0.755,110 0.77,111 0.78,112 3.56,113 0.938,114 -4.03,115 -3.98,116 -3.77,118 40.6,119 2,124 6,126 1,140 8,141 4,143 1,149 1,154 2,156 1,168 12,171 3,172 8,180 12,185 2,186 12,194 6,197 1,198 14,206 2,209 1,210 9,218 4,221 1,222 7,229 4,233 4,234 9,242 3,247 8,255 4,259 7,267 8,270 2742,271 23.292,272 23.292,273 23.292,274 23.292,275 23.292,276 21.04,277 24.277,278 14.346,279 24.097,280 17.702,281 17.702,282 17.702,283 17.702,284 17.702,285 14.246,286 23.954,287 6.666,288 18.739,289 4.483,290 2.555,291 1.516,292 1.274,293 1.18,294 1.117,295 4.244,299 1,300 1,301 1112,302 4.637,305 123.055,306 282.69,313 2.367,314 37.445,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 75,326 535,327 4.188,328 3.658,329 6.028,330 3.817,331 2.825,332 3.768,333 1.674,334 8.586,335 2.796,336 4.187,337 3.657,338 6.028,339 3.815,340 2.821,341 3.767,342 1.674,343 8.585,344 2.795,345 3.957,346 3.059,347 5.592,348 3.604,349 2.682,350 3.49,351 1.151,352 7.724,353 2.467,354 3.735,355 2.83,356 5.316,357 3.384,358 2.417,359 3.071,360 1.151,361 6.87,362 2.349,363 3.724,364 2.709,365 5.313,366 3.378,367 2.398,368 3.067,370 6.858,371 2.335,372 3.359,373 2.439,374 5.023,375 3.115,376 2.185,377 2.415,379 6.062,380 2.012,381 2.913,382 2.108,383 4.2,384 2.521,385 1.592,386 1.978,388 3.87,389 1.462,390 2.894,391 1.984,392 4.194,393 2.498,394 1.562,395 1.957,397 3.845,398 1.445,399 2.58,400 1.816,401 3.498,402 2.133,403 1.235,404 1.607,406 2.685,407 1.106,408 2.5,409 1.791,410 3.414,411 2,412 1.119,413 1.5,415 2.452,416 1,417 2.5,418 1.696,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.233,427 1.319,428 3.414,429 1.993,430 1,431 1.218,433 2.275,434 0.967,435 2.118,436 1,437 3.117,438 1.854,439 0.885,440 0.996,442 1.58,443 0.842,444 2.084,445 1,446 3,447 1.794,448 0.824,449 0.955,451 1.376,452 0.784,453 2.065,454 0.998,455 2.921,456 1.554,457 0.618,458 0.927,460 1.372,461 0.577,462 15.8,463 0.465,464 0.588,465 0.017,466 40.75,467 1.199,468 19,469 0.559,470 21.75,471 0.64,472 29.101,473 0.856,474 38.2,475 0.597,476 33.71,477 0.991,478 8.582,479 0.252,480 8.002,481 0.235,482 0.105,484 0.247,487 0.785,488 1.451,489 0.788,490 1.296,491 0.614,492 1.083,493 1.164,494 0.95,495 0.999,496 0.932,497 0.703,498 0.924,499 1.063,500 1.074,501 1.009,502 1.105,503 0.792,504 1.058,505 1.37,506 1.017,507 1.084,508 1.039,509 1.43,510 1.009,511 1.447,512 0.9,513 1.155,514 0.906,515 1.461,516 0.964,517 0.615,518 1.253,519 0.998,520 1.274,521 0.445,522 1.226,523 0.719,524 0.91,525 0.928,526 0.887,527 0.661,528 0.941,529 0.612,530 1.063,531 0.869,532 1.015,533 0.434,534 0.992,535 6,536 0.177,537 3.333,538 1.472,539 0.959,540 0.868,541 0.496,542 0.326,543 0.273,544 0.237,545 18401,546 53550,547 2.028,548 46.9,550 21,551 1,552 2,555 6,558 1.759,559 1.925,560 3.895,561 -0.758,563 1,567 97.072,568 1.517,569 3.445,570 4.484,571 4.726,572 4.82,573 4.883,574 3.352,575 4.735,576 5.054,577 4.09,578 2294.65,579 8.863,580 38518,585 384,586 1.261,587 5.03,588 0.167,589 0.005,590 0.072,591 0.033,592 0.023,593 0.022,594 0.013,595 0.009,596 0.007,597 0.006,598 0.356,599 0.33,600 0.75,601 1.234,602 187.714,603 -0.018,604 -0.251,605 0.062,606 -0.159,607 -0.037,608 -0.053,609 -0.018,610 0.135,611 -0.029,612 0.081,613 0.051,614 0.036,615 -0.018,616 -0.064,617 -0.04,618 -0.087,619 0.025,620 -0.07,621 -0.148,622 -0.053,623 -0.066,624 -0.067,625 -0.092,626 -0.051,627 -0.217,628 0.067,629 -0.137,630 0.067,631 -0.22,632 -0.007,633 0.031,634 -0.218,635 -0.086,636 -0.239,637 0.005,638 -0.196,639 0.156,640 0.041,641 0.06,642 0.08,643 0.076,644 0.054,646 -0.031,647 0.055,648 -0.003,649 0.015,650 0.033,651 2.003,652 4.815,653 0.5,654 45.82,655 1.008,656 1.126,657 2.802,658 7.851,659 0.647,660 3.611,661 3.85,662 4.043,663 4.19,664 4.29,665 4.331,666 4.382,667 4.394,668 4.466,669 4.533,670 9.011,671 0.62,672 466.58,673 3.611,674 5.106,675 5.911,676 6.737,677 7.555,678 8.385,679 9.209,680 10.04,681 10.865,682 11.697,683 3.1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 2,724 64,726 19,727 2,728 36,730 66,731 26,733 15,734 4,735 8,736 2,739 3,740 3,745 2,751 1,753 17,754 9,756 2,761 2,765 2,772 30,773 7,775 8,778 1,779 2,784 1,785 6,801 1,802 2,831 2,832 3,836 2,840 34,846 6,848 4,850 1,862 9.4,865 2,866 2,867 2,869 17.667,870 11.9,871 7.889,872 3.936,874 2.189,875 1.301,876 0.928,877 10.295,878 9.462,879 3.861,880 4.347,881 4.827,882 5.264,883 5.602,884 5.703,885 5.849,886 5.771,887 5.954,888 6.174,889 0.909,890 45,891 12.581,893 5.111,894 7.833,895 23.783,897 18.368,899 2.333,900 79.333,904 353.133,905 172.366,906 18.685,908 94.289,911 172.366,912 447.422,913 18.685,914 17.65,915 25.068,916 84.857,917 135.619,918 45.689,919 11.771,920 317.82,922 353.133,923 191.051,924 94.289,927 282.506,928 142.916,929 22,931 62.283,932 111.982,933 16.786,935 353.133,936 112.974,937 172.366,940 353.133,941 52.193,942 122.073,944 111.075,945 353.133,946 112.974,947 172.366,949 0.556,950 0.318,951 0.164,952 0.08,953 17,954 8,955 0.227,956 15,958 1,959 4.675,960 281.806,962 17,963 162.974,968 25.633,969 13.655,970 8.39,972 111.075,973 19.668,974 4.083,978 2.918,979 1.937,981 638.473,982 46.5,987 23.595,991 -0.671,994 64.538,995 72.066,996 0.253,997 0.574,998 0.747,999 0.788,1000 0.803,1001 0.814,1002 5.051,1003 1.562,1004 5.844,1005 3.87,1006 4.533,1007 5.034,1008 2.863,1009 6.544,1010 4.439,1011 6.201,1012 1.235,1013 7.335,1014 3.845,1015 3.892,1016 4.59,1018 7.222,1019 3.822,1020 7.46,1021 1.119,1022 8.923,1023 2.685,1024 6.023,1025 7.083,1026 3.675,1027 10.237,1028 5.865,1029 8.753,1030 1,1031 10.568,1032 2.452,1033 6.236,1034 7.493,1036 11.733,1037 6.103,1038 10.079,1039 1,1040 12.249,1041 2.275,1042 7.759,1043 9.399,1044 4.589,1045 14.205,1046 7.56,1047 11.425,1048 0.885,1049 13.954,1050 2.275,1051 8.366,1052 10.201,1054 16.037,1055 8.183,1056 12.786,1057 0.824,1058 15.675,1059 1.58,1060 9.623,1061 11.846,1062 5.562,1063 18.308,1064 9.395,1065 2.825,1066 0.618,1067 17.408,1068 1.376,1069 10.428,1070 12.852,1072 20.295,1073 10.205,1074 2.821,1075 8.586,1076 19.15,1077 1.372,1078 11.56,1079 14.362,1080 6.565,1081 22.485,1082 11.308,1083 2.682,1084 8.585,1085 20.899,1086 3.768,1087 12.467,1088 15.486,1090 24.548,1091 12.214,1092 2.417,1093 7.724,1094 22.653,1095 3.767,1096 13.541,1097 16.921,1098 7.583,1099 26.705,1100 13.268,1101 2.398,1102 6.87,1103 24.412,1104 3.49,1105 14.502,1106 18.116,1108 28.805,1109 14.225,1110 2.185,1111 6.858,1112 26.175,1113 3.071,1114 15.548,1115 19.506,1116 8.608,1117 30.951,1118 15.257,1119 1.592,1120 6.062,1121 27.941,1122 3.067,1123 16.538,1124 20.745,1126 33.071,1127 16.243,1128 18088,1129 30983,1130 24.038,1131 41.398,1132 52.177,1133 53.639,1134 52.978,1135 51.349,1136 51.413,1137 65.662,1138 11.301,1139 135.168,1140 48.856,1141 5.119,1142 5.658,1143 5.798,1144 4.905,1145 4.825,1146 6.768,1147 3.349,1148 14.48,1149 4.796,1150 16.833,1151 1.449,1152 1.49,1153 1.472,1154 1.426,1155 1.428,1156 1.824,1157 0.314,1158 3.755,1159 1.357,1160 3.992,1161 4.031,1162 3.929,1163 3.898,1164 7.435,1165 3.899,1166 3.927,1167 3.954,1168 3.873,1169 3.861,1170 7.431,1171 3.86,1172 3.905,1173 3.944,1174 3.848,1175 3.713,1176 4.962,1177 3.741,1178 3.595,1179 3.625,1180 3.498,1181 3.37,1182 4.788,1183 3.392,1184 3.537,1185 3.581,1186 3.423,1187 3.305,1188 4.726,1189 3.319,1190 3.505,1191 3.561,1192 3.363,1193 3.293,1194 4.557,1195 3.295,1196 3.288,1197 3.327,1198 3.134,1199 3.105,1200 4.45,1201 3.106,1202 3.205,1203 3.244,1204 3.064,1205 3.048,1206 4.421,1207 3.046,1208 0.116,1209 0.102,1210 0.167,1211 0.106,1212 0.078,1213 4.188,1214 0.105,1215 3.658,1216 0.047,1217 6.028,1218 0.239,1219 3.817,1220 0.078,1221 2.825,1222 3.768,1223 1.674,1224 8.586,1225 2.796,1226 1.924,1227 1.905,1228 2.033,1229 2.027,1230 1.21,1231 2.028,1232 1.919,1233 1.899,1234 2.025,1235 2.008,1236 1.153,1237 2.013,1238 1.684,1239 1.632,1240 1.867,1241 1.907,1242 1.124,1243 1.897,1244 1.488,1245 1.431,1246 1.801,1247 1.745,1248 0.937,1249 1.76,1250 1.487,1251 1.428,1252 1.8,1253 1.742,1254 0.937,1255 1.757,1256 1.365,1257 1.312,1258 1.57,1259 1.609,1260 0.707,1261 1.598,1262 1.279,1263 1.216,1264 1.469,1265 1.524,1266 0.627,1267 1.511,1268 1.231,1269 1.191,1270 1.44,1271 1.463,1272 0.574,1273 1.455,1274 4.29,1276 5.549,1277 2.398,1278 6.986,1279 4.443,1280 8.501,1281 6.26,1282 10.058,1284 3.558,1290 2.412,1292 22.044,1294 -0.21,1300 39.707,1301 97.072,1302 220.481,1303 286.98,1304 302.49,1305 308.49,1306 312.49,1307 76.058,1308 7.274,1309 88.88,1310 88.88,1311 17,1312 12.27,1313 4.322,1314 3.524,1315 67.427,1316 175,1317 204,1318 0.173,1319 246.283,1320 436.92,1321 592.691,1322 14515,1324 24.175,1325 0.711,1326 0.574,1327 24.175,1328 19.515,1329 16.584,1330 0.461,1331 0.313,1332 11.043,1333 15.719,1334 10.769,1335 8.948,1336 16.584,1337 11.258,1338 13.854,1339 0.301,1340 0.164,1341 13.854,1342 7.542,1343 11.23,1344 0.201,1345 0.089,1346 11.23,1347 4.962,1348 8.738,1349 0.134,1350 0.049,1351 8.738,1352 3.209,1353 6.084,1354 0.085,1355 0.028,1356 6.084,1357 2.045,1358 0.282,1359 105.496,1360 0.204,1361 32.399,1362 0.445,1363 164,1364 573.703,1365 185.681,1366 527.564,1367 698.16,1368 496,1369 184,1370 480.293,1371 205.3,1372 481.423,1373 697.98,1374 449,1375 6.155} {0 CHEMBL412442,1 1.421,2 14.31,3 3.904,4 15.243,5 114.099,6 6.39,7 0.367,8 4.191,9 4.317,10 3.611,11 3.644,12 5.182,13 3.604,14 4.771,15 4.972,16 3.844,17 3.993,18 5.7,19 3.912,20 4.986,21 5.23,22 3.8,23 4.104,24 5.792,25 3.97,26 5.065,27 5.33,28 3.759,29 4.108,30 5.865,31 3.959,32 5.043,33 5.308,34 3.729,35 4.11,36 5.814,37 3.95,38 5.073,39 5.358,40 3.724,41 4.099,42 5.81,43 3.932,44 4.983,45 5.252,46 3.702,47 4.091,48 5.719,49 3.927,50 5.035,51 5.316,52 3.697,53 4.089,54 5.774,55 3.928,56 0.028,57 0.836,58 15.173,59 6.148,60 8.891,61 8.528,62 0.423,63 1.273,64 28.013,65 9.584,66 37.202,67 13.659,68 0.338,69 1.458,70 34.154,71 11.999,72 35.603,73 17.311,74 0.514,75 1.504,76 37.271,77 12.296,78 50.099,79 18.035,80 0.378,81 1.506,82 36.058,83 12.409,84 43.361,85 18.236,86 0.591,87 1.52,88 37.397,89 12.222,90 46.786,91 18.381,92 0.308,93 1.474,94 33.645,95 11.889,96 33.535,97 17.665,98 0.43,99 1.504,100 35.779,101 11.772,102 42.544,103 17.778,104 22,105 36,106 0.232,107 0.53,108 0.784,109 0.852,110 0.877,111 0.877,112 3.407,113 1.053,114 -4.14,115 -4.09,116 -3.87,118 36.5,119 1,120 6,121 1,123 1,124 4,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 8,180 9,186 8,194 6,197 1,198 9,206 5,210 5,218 6,221 2,222 6,229 7,234 7,242 6,247 9,255 6,259 4,267 6,270 1918,271 19.982,272 19.982,273 19.982,274 19.982,275 19.982,276 18.483,277 20.756,278 12.675,279 20.649,280 14.758,281 14.758,282 14.758,283 14.758,284 14.758,285 12.479,286 19.352,287 5.943,288 15.596,289 4.556,290 2.724,291 1.166,292 0.746,293 0.595,294 0.595,295 4.078,299 1,300 1,301 844,302 4.528,305 105.337,306 122.505,313 2.205,314 22.731,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63,326 415,327 4.035,328 3.681,329 5.584,330 3.643,331 2.687,332 3.635,333 2.443,334 7.703,335 2.587,336 3.956,337 2.949,338 5.479,339 3.604,340 2.641,341 3.49,342 1.151,343 7.335,344 2.537,345 3.655,346 2.799,347 5.113,348 3.351,349 2.373,350 2.825,351 0.86,352 6.29,353 2.298,354 3.496,355 2.654,356 5.042,357 3.218,358 2.277,359 2.767,360 0.286,361 6.115,362 2.134,363 3.381,364 2.325,365 5.029,366 3.122,367 2.17,368 2.434,370 6.066,371 2.051,372 2.745,373 1.852,374 3.784,375 2.705,376 1.717,377 1.75,379 3.506,380 1.692,381 2.578,382 1.812,383 3.505,384 2.194,385 1.269,386 1.602,388 2.714,389 1.172,390 2.5,391 1.683,392 3.421,393 2.142,394 1.232,395 1.5,397 2.579,398 1.111,399 2.296,400 1.302,401 3.414,402 2,403 1.058,404 1.29,406 2.275,407 1,408 2.147,409 1.185,410 3.224,411 1.972,412 1,413 1.124,415 2.121,416 0.955,417 2.118,418 1.072,419 3,420 1.813,421 0.853,422 0.927,424 1.53,425 0.809,426 1.984,427 1,428 2.918,429 1.554,430 0.618,431 0.917,433 1.372,434 0.577,435 1.676,436 0.635,437 2.782,438 1.423,439 0.545,440 0.598,442 0.894,443 0.472,444 1.337,445 0.618,446 2.531,447 1.232,448 0.244,449 0.255,451 0.49,452 0.239,453 1.081,454 0.407,455 2.449,456 0.861,457 -0.059,458 -0.065,460 -0.126,461 -0.054,462 13.633,463 0.47,464 0.379,465 0.013,466 30,467 1.034,468 12,469 0.414,470 18,471 0.621,472 28.582,473 0.986,474 34.367,475 0.546,476 20.558,477 0.709,478 5.784,479 0.199,480 8.424,481 0.29,482 0.098,484 0.176,487 0.811,488 1.589,489 0.936,490 1.425,491 0.615,492 1.231,493 1.188,494 1.076,495 1.101,496 1.069,497 0.739,498 1.067,499 1.029,500 1.107,501 1.046,502 1.123,503 0.928,504 1.096,505 1.12,506 0.931,507 1.046,508 0.965,509 1.152,510 0.991,511 0.954,512 1.074,513 1.03,514 1.078,515 1.124,516 1.071,517 0.839,518 0.868,519 0.943,520 0.883,521 0.747,522 0.919,523 0.743,524 1.093,525 0.979,526 1.075,527 0.752,528 1.065,529 0.927,530 0.924,531 0.978,532 0.898,533 0.831,534 0.935,535 4.5,536 0.155,537 1.778,538 0.972,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 11897,546 30056,547 1.996,548 54,549 10,550 15,551 1,552 2,554 2,555 3,556 1,558 1.719,559 1.912,560 3.779,561 -0.785,563 1,567 89.553,568 1.421,569 3.253,570 4.811,571 5.231,572 5.382,573 5.382,574 3.28,575 4.306,576 4.824,577 3.969,578 1611.52,579 8.402,580 24625.4,582 1,585 376.569,586 1.113,587 4.811,588 0.15,589 0.006,590 0.049,591 0.029,592 0.019,593 0.016,594 0.008,595 0.006,596 0.007,597 0.004,598 0.294,599 0.33,600 0.88,601 2.112,602 153.271,603 0.014,604 -0.27,605 0.059,606 -0.166,607 0.037,608 -0.064,609 -0.023,610 0.051,611 -0.071,612 -0.003,613 0.069,614 -0.038,615 -0.075,616 -0.094,617 -0.067,618 -0.09,619 -0.044,620 -0.079,621 -0.079,622 0.036,623 -0.056,624 0.01,625 -0.077,626 -0.016,627 -0.068,628 -0.096,629 -0.065,630 -0.075,631 -0.098,632 -0.072,633 0.044,634 0.089,635 0.024,636 0.071,637 0.002,638 0.049,639 -0.033,640 -0.085,641 -0.037,642 -0.058,643 -0.047,644 -0.05,645 -0.087,646 0.056,647 -0.015,648 0.067,649 -0.083,650 0.042,651 1.752,652 4.378,653 0.379,654 36.704,655 0.994,656 1.135,657 2.913,658 8.486,659 0.619,660 3.434,661 3.611,662 3.738,663 3.85,664 3.871,665 3.871,666 3.871,667 3.85,668 3.932,669 3.989,670 8.366,671 0.577,672 402.59,673 3.434,674 4.89,675 5.659,676 6.454,677 7.236,678 8.036,679 8.825,680 9.628,681 10.421,682 11.225,683 3.2,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 63,726 12,727 1,728 30,730 64,731 23,733 9,734 2,735 4,739 2,740 2,745 1,751 6,753 10,754 13,755 1,756 1,761 1,765 1,769 1,772 34,773 5,775 6,778 1,779 2,784 1,785 4,801 1,802 1,819 1,831 1,832 2,836 2,840 29,846 10,848 3,850 1,862 6.3,865 1,866 1,867 2,869 15.167,870 11.483,871 6.917,872 4.075,874 1.445,875 1.219,876 0.904,877 11.465,878 8.055,879 3.624,880 4.021,881 4.39,882 4.774,883 4.959,884 4.905,885 4.924,886 4.876,887 5.062,888 5.294,889 0.9,890 33,891 10.739,893 4.198,894 7.632,895 20.985,897 16.19,899 2.132,900 61.833,903 1,904 400.217,905 131.037,906 18.685,908 58.145,911 131.037,912 458.362,913 18.685,914 19.708,915 31.09,916 46.952,917 92.282,918 41.375,919 11.771,920 364.904,922 400.217,923 149.722,924 58.145,927 353.133,928 94.229,929 11,931 59.48,932 73.456,933 16.786,935 400.217,936 76.829,937 131.037,940 400.217,941 46.71,942 86.226,944 74.93,945 400.217,946 76.829,947 131.037,949 0.54,950 0.298,951 0.151,952 0.07,953 11,954 5,955 0.25,956 16,958 1,959 4.33,960 211.245,962 11,963 136.881,968 23.435,969 14.188,970 9.955,972 74.93,973 13.646,974 4.138,978 2.001,979 2.113,981 608.084,982 36.5,987 11.378,991 -0.086,994 62.65,995 71.477,996 0.238,997 0.544,998 0.805,999 0.875,1000 0.9,1001 0.9,1002 4.785,1003 1.232,1004 5.549,1005 2.714,1006 4.29,1007 4.705,1008 2.719,1009 6.163,1010 4.194,1011 5.881,1012 1.058,1013 6.98,1014 2.579,1015 3.434,1016 4.086,1017 2.243,1018 6.629,1019 3.33,1020 7.098,1021 1,1022 8.502,1023 2.275,1024 5.694,1025 6.635,1026 3.935,1027 9.63,1028 5.515,1029 8.348,1030 0.853,1031 10.079,1032 2.121,1033 5.707,1034 6.91,1035 4.269,1036 10.934,1037 5.503,1038 9.632,1039 0.618,1040 11.69,1041 1.53,1042 7.314,1043 8.842,1044 5.509,1045 13.35,1046 7.061,1047 10.936,1048 0.545,1049 13.324,1050 1.372,1051 7.751,1052 9.535,1053 6.158,1054 15.008,1055 7.459,1056 12.256,1057 0.244,1058 14.974,1059 0.894,1060 9.052,1061 11.192,1062 7.213,1063 17.198,1064 8.726,1065 2.687,1066 -0.059,1067 16.633,1068 0.49,1069 9.719,1070 12.107,1071 7.992,1072 19.027,1073 9.346,1074 2.641,1075 7.703,1076 18.3,1077 -0.126,1078 10.863,1079 13.62,1080 8.964,1081 21.12,1082 10.463,1083 2.373,1084 7.335,1085 19.972,1086 3.635,1087 11.659,1088 14.665,1089 9.802,1090 23.037,1091 11.21,1092 2.277,1093 6.29,1094 21.648,1095 3.49,1096 12.722,1097 16.095,1098 10.734,1099 25.088,1100 12.246,1101 2.17,1102 6.115,1103 23.327,1104 2.825,1105 13.591,1106 17.221,1107 11.599,1108 27.053,1109 13.069,1110 1.717,1111 6.066,1112 25.01,1113 2.767,1114 14.611,1115 18.599,1116 12.512,1117 29.086,1118 14.061,1119 1.269,1120 3.506,1121 26.694,1122 2.434,1123 15.524,1124 19.776,1125 13.391,1126 31.078,1127 14.928,1128 11970,1129 19122,1130 20.049,1131 39.012,1132 41.74,1133 42.628,1134 42.548,1135 41.344,1136 41.367,1137 50.227,1138 9.479,1139 101.981,1140 39.268,1141 5.005,1142 5.681,1143 5.415,1144 4.712,1145 4.687,1146 6.635,1147 4.174,1148 13.229,1149 4.587,1150 13.308,1151 1.391,1152 1.421,1153 1.418,1154 1.378,1155 1.379,1156 1.674,1157 0.316,1158 3.399,1159 1.309,1160 3.975,1161 4.032,1162 3.899,1163 3.858,1164 7.432,1165 3.859,1166 3.905,1167 3.937,1168 3.843,1169 3.764,1170 4.957,1171 3.775,1172 3.782,1173 3.836,1174 3.655,1175 3.627,1176 4.876,1177 3.627,1178 3.65,1179 3.694,1180 3.533,1181 3.473,1182 4.573,1183 3.478,1184 3.507,1185 3.566,1186 3.35,1187 3.299,1188 4.468,1189 3.3,1190 3.366,1191 3.426,1192 3.196,1193 3.164,1194 4.3,1195 3.156,1196 3.279,1197 3.342,1198 3.098,1199 3.064,1200 4.133,1201 3.069,1202 3.109,1203 3.178,1204 2.904,1205 2.846,1206 3.901,1207 2.843,1208 0.135,1209 0.123,1210 0.186,1211 0.121,1212 0.09,1213 4.035,1214 0.121,1215 3.681,1216 0.081,1217 5.584,1218 0.257,1219 3.643,1220 0.086,1221 2.687,1222 3.635,1223 2.443,1224 7.703,1225 2.587,1226 1.902,1227 1.88,1228 2.06,1229 2.02,1230 1.436,1231 2.03,1232 1.829,1233 1.774,1234 2.011,1235 1.977,1236 1.268,1237 1.991,1238 1.697,1239 1.644,1240 1.919,1241 1.895,1242 1.133,1243 1.902,1244 1.514,1245 1.457,1246 1.805,1247 1.763,1248 0.986,1249 1.773,1250 1.426,1251 1.354,1252 1.691,1253 1.653,1254 0.929,1255 1.668,1256 1.33,1257 1.273,1258 1.596,1259 1.588,1260 0.718,1261 1.593,1262 1.281,1263 1.219,1264 1.546,1265 1.526,1266 0.64,1267 1.525,1268 1.209,1269 1.139,1270 1.453,1271 1.488,1272 0.566,1273 1.497,1274 4.111,1276 5.323,1277 2.398,1278 6.698,1279 4.443,1280 8.149,1281 6.26,1282 9.643,1284 3.512,1290 8.528,1292 16.166,1294 0.438,1300 36.331,1301 89.553,1302 204.926,1303 303.085,1304 329.549,1305 339.059,1306 339.059,1307 65.88,1308 6.609,1309 62.58,1310 62.58,1311 11,1312 11.821,1313 3.7,1314 2.907,1315 65.573,1316 136,1317 166,1318 0.212,1319 228.617,1320 401.26,1321 549.585,1322 6208,1324 20.736,1325 0.715,1326 0.611,1327 20.736,1328 17.717,1329 14.207,1330 0.474,1331 0.351,1332 10.356,1333 13.52,1334 10.078,1335 8.45,1336 14.207,1337 10.529,1338 11.364,1339 0.316,1340 0.201,1341 11.364,1342 7.247,1343 8.751,1344 0.213,1345 0.118,1346 8.751,1347 4.858,1348 6.638,1349 0.144,1350 0.071,1351 6.638,1352 3.274,1353 4.374,1354 0.093,1355 0.044,1356 4.374,1357 2.05,1358 0.347,1359 89.956,1360 0.223,1361 28.682,1362 0.542,1363 132,1364 410.232,1365 147.149,1366 377.384,1367 497.16,1368 356,1369 143,1370 337.202,1371 157.49,1372 339.524,1373 481.68,1374 315,1375 6} {0 CHEMBL41441,1 1.49,2 12.821,3 2.824,4 7.976,5 107.818,6 7.083,7 0.567,8 4.076,9 4.182,10 3.602,11 3.546,12 5.154,13 3.537,14 4.613,15 4.78,16 3.857,17 3.874,18 5.614,19 3.85,20 4.744,21 4.919,22 3.843,23 3.977,24 5.711,25 3.9,26 4.872,27 5.104,28 3.731,29 3.961,30 5.723,31 3.847,32 4.858,33 5.111,34 3.706,35 3.914,36 5.674,37 3.801,38 4.768,39 4.999,40 3.732,41 3.901,42 5.653,43 3.796,44 4.765,45 4.999,46 3.738,47 3.932,48 5.624,49 3.828,50 4.809,51 5.053,52 3.739,53 3.94,54 5.678,55 3.844,56 0.011,57 0.726,58 11.873,59 5.141,60 10.405,61 6.617,62 0.385,63 1.104,64 22.986,65 7.794,66 31.592,67 10.016,68 0.409,69 1.233,70 25.86,71 9.698,72 35.012,73 12.761,74 0.403,75 1.323,76 30.712,77 10.706,78 40.494,79 14.757,80 0.428,81 1.283,82 30.836,83 10.411,84 39.891,85 14.608,86 0.548,87 1.228,88 27.645,89 9.538,90 41.122,91 13.409,92 0.245,93 1.268,94 26.949,95 9.663,96 31.085,97 13.664,98 0.439,99 1.288,100 29.133,101 9.585,102 38.77,103 13.505,104 9,105 38,106 0.248,107 0.549,108 0.719,109 0.749,110 0.768,111 0.78,112 3.374,113 0.918,114 -3.23,115 -3.22,116 -3.09,118 40.7,123 2,124 4,126 1,140 8,141 2,142 2,143 1,149 1,156 1,168 8,171 1,172 6,180 8,185 2,186 8,194 4,197 1,198 6,209 1,210 3,221 3,222 7,234 9,242 1,247 5,255 4,258 3,259 4,267 8,270 1610,271 19.463,272 19.463,273 19.463,274 19.463,275 19.463,276 17.395,277 24.218,278 11.857,279 20.237,280 14.704,281 14.704,282 14.704,283 14.704,284 14.704,285 11.616,286 26.734,287 5.527,288 15.744,289 4.265,290 2.457,291 1.435,292 1.25,293 1.139,294 1.065,295 4.06,298 1,299 1,300 1,301 758,302 3.674,305 96.217,306 224.317,313 1.776,314 19.028,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61,326 359,327 4.04,328 3.069,329 5.598,330 3.656,331 2.712,332 3.635,333 1.151,334 7.736,335 2.59,336 4.034,337 2.932,338 5.48,339 3.622,340 2.649,341 3.634,342 1.151,343 7.337,344 2.58,345 3.953,346 2.861,347 5.47,348 3.563,349 2.618,350 3.49,351 0.86,352 7.315,353 2.441,354 3.522,355 2.665,356 5.137,357 3.209,358 2.294,359 2.778,360 0.86,361 6.362,362 2.096,363 3.482,364 2.615,365 5.108,366 3.136,367 2.194,368 2.764,370 6.27,371 2.057,372 3.318,373 2.382,374 4.999,375 3.044,376 2.097,377 2.393,379 5.985,380 1.968,381 2.583,382 1.852,383 3.507,384 2.142,385 1.252,386 1.612,388 2.712,389 1.112,390 2.5,391 1.375,392 3.423,393 2,394 1.133,395 1.5,397 2.492,398 1,399 2.5,400 1.206,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.262,409 1.125,410 3.414,411 2,412 1,413 1.249,415 2.275,416 0.972,417 2.118,418 1,419 3.126,420 1.633,421 0.742,422 0.927,424 1.573,425 0.653,426 1.873,427 1,428 3,429 1.554,430 0.618,431 0.815,433 1.372,434 0.577,435 1.679,436 0.897,437 2.802,438 1.411,439 0.546,440 0.6,442 0.881,443 0.467,444 1.514,445 0.618,446 2.686,447 1.255,448 0.39,449 0.428,451 0.64,452 0.334,453 1.083,454 0.433,455 2.517,456 0.86,457 -0.057,458 -0.063,460 -0.121,461 -0.052,462 13.133,463 0.469,464 0.409,465 0.015,466 35.25,467 1.259,468 17,469 0.607,470 18.25,471 0.652,472 21.416,473 0.765,474 31.267,475 0.579,476 25.739,477 0.919,478 7.611,479 0.272,480 6.151,481 0.22,482 0.076,484 0.221,487 0.895,488 1.483,489 0.817,490 1.305,491 0.847,492 1.086,493 1.648,494 0.875,495 1.094,496 0.841,497 1.42,498 0.86,499 1.14,500 1.17,501 1.169,502 1.226,503 1.067,504 1.211,505 1.093,506 1.053,507 1.076,508 1.104,509 1.096,510 1.093,511 1.042,512 0.925,513 0.934,514 0.935,515 1.011,516 0.922,517 0.828,518 0.989,519 0.963,520 0.984,521 0.821,522 0.995,523 0.843,524 1.139,525 0.95,526 1.084,527 0.82,528 1.041,529 1.17,530 0.856,531 0.978,532 0.784,533 1.139,534 0.833,535 5,536 0.111,537 2,538 0.722,539 0.879,540 0.577,541 0.293,542 0.24,543 0.224,544 0.177,545 10779,546 28506,547 2.076,548 48.1,550 23,551 1,552 2,558 1.711,559 2,560 3.618,561 -0.778,562 1,563 1,567 80.445,568 1.49,569 3.298,570 4.32,571 4.505,572 4.616,573 4.69,574 3.057,575 4.379,576 4.776,577 3.786,578 1430.98,579 8.311,580 20420.5,582 1,584 1,585 310.764,586 1.095,587 4.765,588 0.167,589 0.004,590 0.053,591 0.021,592 0.029,593 0.019,594 0.009,595 0.007,596 0.007,597 0.006,598 0.322,599 0.5,600 0.88,601 0.716,602 144.079,603 -0.007,604 -0.293,605 0.079,606 -0.187,607 0.007,608 -0.062,609 -0.255,610 0.203,611 -0.081,612 0.151,613 -0.215,614 0.08,615 -0.013,616 -0.136,617 -0.201,618 -0.196,619 -0.036,620 -0.227,621 -0.06,622 -0.098,623 -0.088,624 -0.125,625 -0.091,626 -0.113,627 -0.027,628 0.003,629 0.066,630 0.027,631 -0.019,632 0.057,633 0.153,634 -0.006,635 0.02,636 -0.005,637 0.139,638 -0.015,639 -0.035,640 -0.134,641 0.004,642 -0.09,643 0.019,644 -0.044,645 -0.154,646 0.128,647 0.018,648 0.174,649 -0.141,650 0.134,651 1.422,652 2.615,653 0.607,654 29.714,655 1.002,656 1.126,657 1.997,658 3.988,659 0.648,660 3.434,661 3.664,662 3.85,663 3.989,664 4.111,665 4.094,666 4.094,667 4.111,668 4.234,669 4.317,670 7.484,671 0.615,672 382.5,673 3.434,674 4.92,675 5.72,676 6.538,677 7.349,678 8.169,679 8.984,680 9.804,681 10.62,682 11.44,683 3.7,691 1,693 1,699 11,700 1,704 4,705 1,706 17,722 2,724 54,726 17,727 2,728 30,730 56,731 22,733 15,734 4,735 8,739 3,740 3,751 1,753 15,754 7,769 1,772 26,773 5,775 6,778 1,779 2,784 1,785 4,801 1,802 2,831 2,832 3,836 2,840 28,846 4,848 4,850 1,862 7.4,866 2,867 2,869 14,870 10.067,871 6.5,872 2.894,874 2.02,875 1.295,876 0.939,877 7.91,878 8.87,879 3.676,880 4.178,881 4.653,882 5.096,883 5.434,884 5.347,885 5.357,886 5.376,887 5.661,888 5.973,889 0.889,890 35,891 10.302,893 4.104,894 7.607,895 19.845,897 15.311,899 2.107,900 59,903 1,904 306.049,905 157.03,906 18.685,908 44,911 157.03,912 350.048,913 18.685,914 21.766,915 15.883,916 84.857,917 70.946,918 49.804,919 11.771,920 270.735,922 306.049,923 175.715,924 44,927 306.049,928 22,929 22,931 35.448,932 123.482,933 16.786,935 306.049,936 62.684,937 157.03,940 306.049,941 32.741,942 126.189,944 60.785,945 306.049,946 62.684,947 157.03,949 0.556,950 0.319,951 0.159,952 0.081,953 15,954 6,955 0.196,956 11,958 1,959 4.204,960 217.136,962 17,963 126.606,968 20.398,969 10.858,970 6.656,972 60.785,973 21.219,974 4.098,978 3.857,979 1.995,981 525.763,982 38.5,994 54.116,995 60.817,996 0.259,997 0.573,998 0.751,999 0.783,1000 0.802,1001 0.815,1002 4.854,1003 1.133,1004 5.638,1005 2.712,1006 4.344,1007 4.864,1008 2.225,1009 6.304,1010 4.22,1011 5.995,1012 1,1013 7.104,1014 2.492,1015 3.611,1016 4.311,1018 6.88,1019 3.459,1020 7.242,1021 1,1022 8.657,1023 2.275,1024 5.808,1025 6.915,1026 2.323,1027 9.852,1028 5.583,1029 8.522,1030 0.742,1031 10.259,1032 2.275,1033 5.916,1034 7.205,1036 11.207,1037 5.648,1038 9.831,1039 0.618,1040 11.892,1041 1.573,1042 7.482,1043 9.201,1044 2.477,1045 13.616,1046 7.167,1047 11.157,1048 0.546,1049 13.544,1050 1.372,1051 7.982,1052 9.885,1054 15.295,1055 7.615,1056 12.495,1057 0.39,1058 15.207,1059 0.881,1060 9.262,1061 11.6,1062 2.674,1063 17.486,1064 8.864,1065 2.712,1066 -0.057,1067 16.878,1068 0.64,1069 9.97,1070 12.503,1072 19.323,1073 9.517,1074 2.649,1075 7.736,1076 18.555,1077 -0.121,1078 11.108,1079 14.062,1080 2.901,1081 21.418,1082 10.627,1083 2.618,1084 7.337,1085 20.236,1086 3.635,1087 11.932,1088 15.097,1090 23.338,1091 11.397,1092 2.294,1093 7.315,1094 21.919,1095 3.634,1096 12.995,1097 16.561,1098 3.146,1099 25.389,1100 12.433,1101 2.194,1102 6.362,1103 23.605,1104 3.49,1105 13.885,1106 17.68,1108 27.353,1109 13.272,1110 2.097,1111 6.27,1112 25.293,1113 2.778,1114 14.908,1115 19.084,1116 3.404,1117 29.385,1118 14.266,1119 1.252,1120 5.985,1121 26.983,1122 2.764,1123 15.837,1124 20.257,1126 31.374,1127 15.146,1128 10452,1129 17099,1130 20.455,1131 34.966,1132 42.824,1133 43.417,1134 43.394,1135 42.411,1136 42.49,1137 54.648,1138 8.043,1139 110.452,1140 39.695,1141 4.97,1142 5.069,1143 5.214,1144 4.743,1145 4.712,1146 6.635,1147 2.302,1148 13.289,1149 4.59,1150 10.557,1151 1.427,1152 1.447,1153 1.446,1154 1.414,1155 1.416,1156 1.822,1157 0.268,1158 3.682,1159 1.323,1160 3.978,1161 4.024,1162 3.91,1163 3.87,1164 4.967,1165 3.871,1166 3.906,1167 3.939,1168 3.845,1169 3.833,1170 4.887,1171 3.832,1172 3.894,1173 3.926,1174 3.834,1175 3.711,1176 4.86,1177 3.738,1178 3.566,1179 3.6,1180 3.459,1181 3.351,1182 4.638,1183 3.369,1184 3.335,1185 3.376,1186 3.204,1187 3.09,1188 4.478,1189 3.108,1190 3.271,1191 3.332,1192 3.107,1193 3.034,1194 4.312,1195 3.041,1196 3.098,1197 3.17,1198 2.884,1199 2.829,1200 4.208,1201 2.822,1202 2.997,1203 3.082,1204 2.773,1205 2.791,1206 3.685,1207 2.771,1208 0.135,1209 0.102,1210 0.187,1211 0.122,1212 0.09,1213 4.04,1214 0.121,1215 3.069,1216 0.038,1217 5.598,1218 0.258,1219 3.656,1220 0.086,1221 2.712,1222 3.635,1223 1.151,1224 7.736,1225 2.59,1226 1.904,1227 1.882,1228 2.021,1229 2.018,1230 1.206,1231 2.018,1232 1.896,1233 1.875,1234 2.011,1235 1.994,1236 1.134,1237 1.999,1238 1.681,1239 1.628,1240 1.864,1241 1.9,1242 1.108,1243 1.892,1244 1.367,1245 1.317,1246 1.598,1247 1.629,1248 0.702,1249 1.614,1250 1.282,1251 1.221,1252 1.586,1253 1.556,1254 0.632,1255 1.562,1256 1.256,1257 1.202,1258 1.545,1259 1.526,1260 0.6,1261 1.525,1262 1.193,1263 1.12,1264 1.453,1265 1.492,1266 0.528,1267 1.498,1268 1.06,1269 0.979,1270 1.386,1271 1.342,1272 0.511,1273 1.359,1274 4.111,1276 5.361,1277 2.398,1278 6.79,1279 4.443,1280 8.293,1281 6.26,1282 9.834,1284 3.319,1290 2.199,1292 22.402,1294 -0.088,1300 33.224,1301 80.445,1302 178.107,1303 233.254,1304 243.254,1305 249.254,1306 253.254,1307 41.549,1308 6.85,1309 54.74,1310 54.74,1311 17,1312 12.022,1313 4.17,1314 3.248,1315 49.625,1316 118,1317 140,1318 0.186,1319 205.776,1320 355.42,1321 493.854,1322 8207,1324 19.606,1325 0.7,1326 0.582,1327 19.606,1328 16.284,1329 13.763,1330 0.459,1331 0.306,1332 8.972,1333 13.013,1334 8.701,1335 7.269,1336 13.763,1337 9.175,1338 11.35,1339 0.299,1340 0.169,1341 11.35,1342 6.404,1343 9.437,1344 0.205,1345 0.095,1346 9.437,1347 4.35,1348 7.121,1349 0.134,1350 0.052,1351 7.121,1352 2.749,1353 5.216,1354 0.087,1355 0.029,1356 5.216,1357 1.743,1358 0.3,1359 87.827,1360 0.221,1361 27.434,1362 0.491,1363 136,1364 438.232,1365 151.703,1366 404.373,1367 542.64,1368 384,1369 152,1370 375.202,1371 168.649,1372 383.07,1373 545.62,1374 353,1375 5.004} {0 CHEMBL414614,1 1.868,2 8.889,3 0.384,4 0.147,5 67.804,6 8.624,7 0.579,8 3.561,9 3.653,10 3.451,11 3.085,12 4.689,13 3.059,14 4.07,15 4.206,16 3.621,17 3.402,18 5.584,19 3.376,20 4.226,21 4.4,22 3.467,23 3.439,24 5.441,25 3.357,26 4.183,27 4.377,28 3.271,29 3.305,30 5.407,31 3.216,32 4.101,33 4.35,34 3.063,35 3.083,36 5.167,37 2.988,38 3.779,39 4.021,40 2.98,41 2.916,42 4.961,43 2.818,44 3.583,45 3.758,46 2.935,47 2.939,48 4.669,49 2.846,50 3.702,51 3.902,52 2.82,53 2.869,54 4.878,55 2.757,56 0.122,57 0.494,58 7.973,59 2.949,60 20.427,61 3.15,62 0.429,63 0.71,64 13.144,65 4.681,66 63.764,67 5.132,68 0.455,69 0.734,70 16.983,71 5.919,72 40.463,73 6.583,74 0.384,75 0.678,76 16.298,77 5.491,78 43.493,79 6.447,80 0.44,81 0.57,82 16.07,83 4.63,84 52.722,85 6.109,86 0.409,87 0.448,88 11.166,89 3.543,90 36.784,91 4.867,92 0.166,93 0.437,94 9.276,95 3.283,96 16.029,97 3.778,98 0.246,99 0.451,100 11.199,101 3.22,102 38.018,103 3.901,104 11,105 26,106 0.352,107 0.693,108 0.812,109 0.837,110 0.837,111 0.837,112 2.958,113 1.076,114 -1.41,115 -1.49,116 -1.54,118 35.5,124 2,140 4,142 2,143 1,149 1,156 1,159 1,160 1,161 1,168 2,171 2,172 2,174 2,175 2,180 2,185 1,186 6,191 2,194 2,196 2,198 4,203 2,208 2,209 1,210 2,221 2,222 2,224 1,225 1,234 2,247 2,258 2,261 1,262 1,270 370,271 11.748,272 11.748,273 11.748,274 11.748,275 11.748,276 10.102,277 11.278,278 7.022,279 12.229,280 9.39,281 9.39,282 9.39,283 9.39,284 9.39,285 6.918,286 9.468,287 3.346,288 10.16,289 3.086,290 1.279,291 0.645,292 0.516,293 0.516,294 0.516,295 3.61,299 1,300 1,301 331,302 3.24,305 57.562,306 63.576,313 1.568,314 23.898,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 40.5,326 160,327 4.801,328 4.661,329 7.111,330 4.228,331 3.313,332 4.66,333 0.86,334 11.657,335 2.999,336 3.93,337 2.88,338 5.38,339 3.485,340 2.565,341 3.482,343 7.073,344 2.368,345 3.874,346 2.622,347 5.325,348 3.404,349 2.466,350 3.425,352 6.928,353 2.299,354 3.122,355 1.844,356 4.585,357 2.635,358 1.673,359 2.334,361 4.717,362 1.599,363 2.708,364 1.527,365 3.607,366 2.322,367 1.382,368 1.77,370 2.991,371 1.292,372 2.5,373 1.169,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.152,382 1,383 3.206,384 1.815,385 0.91,386 1.095,388 2.019,389 0.817,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.22,400 0.44,401 2.777,402 0.896,403 -0.02,404 -0.024,406 -0.049,407 -0.018,408 1,409 -0.029,410 2.414,411 0.3,412 -0.613,413 -0.75,415 -1.435,416 -0.549,417 0.686,418 -0.576,419 2,421 -1,422 -1.21,424 -2.835,425 -1,426 0.5,427 -1,428 2,430 -1,431 -1.475,433 -3,434 -1,435 0.301,436 -1,437 2,439 -1,440 -1.5,442 -3,443 -1,444 0.036,445 -1,446 1.658,447 -0.323,448 -1.239,449 -1.879,451 -3,452 -1.108,453 -0.118,454 -1.219,455 1.07,456 -0.702,457 -1.618,458 -2,460 -4.288,461 -1.395,462 8.533,463 0.474,464 0.531,465 0.03,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 10.366,473 0.576,474 20.267,475 0.654,476 16.239,477 0.902,478 5.007,479 0.278,480 3.548,481 0.197,482 0.125,483 0.098,484 0.164,487 0.671,488 1.518,489 0.828,490 1.377,491 0.781,492 0.98,493 0.907,494 0.975,495 1.01,496 0.994,497 0.501,498 0.928,499 1.231,500 0.972,501 1.114,502 1.038,503 1.017,504 1.098,505 1.164,506 1.15,507 1.081,508 1.153,509 1.083,510 1.222,511 0.988,512 0.845,513 0.715,514 0.788,515 0.969,516 0.938,517 0.329,518 0.704,519 0.517,520 0.59,521 0.21,522 0.73,523 0.812,524 1.184,525 1.181,526 1.19,527 0.569,528 1.095,529 1.075,530 1.245,531 1.309,532 1.271,533 1.383,534 1.265,535 4.5,536 0.079,537 2,538 0.847,539 0.427,540 0.524,541 0.209,542 0.109,543 0.103,544 0.127,545 3056,546 11230,547 1.981,548 41.9,550 8,551 1,552 2,553 2,558 1.576,559 1.846,560 3.123,561 0.538,563 1,567 57.911,568 1.868,569 3.675,570 4.309,571 4.438,572 4.438,573 4.438,574 2.51,575 3.35,576 4.142,577 3.327,578 509.035,579 6.978,580 5059.18,582 1,585 153.58,586 1.528,587 4.083,588 0.237,589 0.01,590 0.077,591 0.04,592 0.025,593 0.04,594 0.016,595 0.008,596 0.01,597 0.018,598 0.482,599 0.5,600 1,601 0.894,602 78.657,603 0.023,604 -0.257,605 0.242,606 -0.153,607 -0.211,609 0.092,610 0.143,611 -0.089,612 0.005,613 0.359,614 -0.017,615 -0.195,616 -0.018,617 -0.18,618 -0.053,619 -0.098,620 -0.129,621 -0.188,622 -0.238,623 -0.195,624 -0.228,625 -0.114,626 -0.25,627 -0.023,628 -0.036,629 0.107,630 0.008,631 -0.113,632 0.045,633 0.501,634 0.152,635 0.314,636 0.252,637 0.335,638 0.283,639 -0.121,640 -0.121,641 -0.18,642 -0.098,643 -0.023,644 -0.077,645 -0.215,646 -0.251,647 -0.29,648 -0.256,649 -0.28,650 -0.286,651 4.56,652 4.04,653 0.611,654 14.395,655 1.025,656 1.133,657 0.182,658 0.033,659 0.672,660 2.996,661 3.296,662 3.401,663 3.497,664 3.497,665 3.555,666 3.497,667 3.296,668 3.367,669 3.497,670 5.57,671 0.646,672 267.34,673 2.996,674 4.511,675 5.303,676 6.151,677 6.959,678 7.807,679 8.621,680 9.469,681 10.286,682 11.134,683 9.7,687 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 31,726 13,727 1,728 19,730 32,731 11,733 9,734 2,735 4,739 2,740 2,753 9,754 2,756 2,760 1,761 2,768 1,769 1,772 13,773 5,774 2,775 7,776 1,778 1,779 3,784 1,785 3,801 1,802 1,832 2,834 1,840 18,841 1,844 1,846 2,848 1,862 9.7,865 2,867 1,869 9.75,870 5.233,871 3.917,872 1.561,874 2.017,875 1.34,876 0.972,877 3.889,878 7.95,879 3.314,880 3.927,881 4.312,882 4.749,883 4.983,884 5.16,885 5.265,886 4.925,887 5.256,888 5.752,889 0.833,890 21,891 6.797,893 3.023,894 8.153,895 12.251,897 9.723,899 2.653,900 47.75,901 0.001,904 129.482,905 83.918,906 49.976,908 55.313,910 5.807,911 78.111,912 184.795,913 49.976,915 6.698,916 84.051,917 93.259,918 28.741,919 11.771,920 94.169,922 129.482,923 128.087,924 55.313,925 5.807,927 129.482,928 55.313,931 26.263,932 85.038,933 22.593,935 129.482,936 105.289,937 83.918,939 5.807,940 129.482,941 13.492,942 66.518,944 103.39,945 129.482,946 105.289,947 83.918,949 0.584,950 0.308,951 0.141,952 0.061,953 12,954 5,955 0.156,956 5,958 1,959 3.136,960 116.112,962 11,963 69.059,967 1,968 12.925,969 5.416,970 3.743,972 103.39,973 11.229,974 3.913,978 0.673,979 1.888,980 31.291,981 318.689,982 26.5,986 -3.643,987 22.081,994 31.782,995 35.119,996 0.377,997 0.742,998 0.87,999 0.896,1000 0.896,1001 0.896,1002 4.519,1003 0.618,1004 5.323,1005 2.019,1006 3.97,1007 4.61,1008 0.908,1009 6.111,1010 3.819,1011 5.762,1012 -0.02,1013 6.884,1014 1.372,1015 3.761,1016 4.732,1018 7.357,1019 3.496,1020 7.115,1021 -0.613,1022 8.573,1023 -0.049,1024 5.624,1025 6.942,1026 0.739,1027 10.258,1028 5.29,1029 8.516,1030 -1,1031 10.342,1032 -1.435,1033 6.236,1034 7.898,1036 12.325,1037 5.766,1038 9.956,1039 -1,1040 12.166,1041 -2.835,1042 7.635,1043 9.641,1044 0.593,1045 14.885,1046 7.1,1047 11.422,1048 -1,1049 14.027,1050 -3,1051 8.582,1052 10.93,1054 17.216,1055 7.91,1056 12.91,1057 -1.239,1058 15.914,1059 -3,1060 9.829,1061 12.525,1062 0.469,1063 19.699,1064 9.084,1065 3.313,1066 -1.618,1067 17.82,1068 -3,1069 10.916,1070 13.954,1072 22.114,1073 10.043,1074 2.565,1075 11.657,1076 19.74,1077 -4.288,1078 12.117,1079 15.503,1080 0.366,1081 24.577,1082 11.158,1083 2.466,1084 7.073,1085 21.671,1086 4.66,1087 13.263,1088 16.992,1090 27.019,1091 12.186,1092 1.673,1093 6.928,1094 23.609,1095 3.482,1096 14.453,1097 18.529,1098 0.283,1099 29.477,1100 13.284,1101 1.382,1102 4.717,1103 25.553,1104 3.425,1105 15.626,1106 20.044,1108 31.929,1109 14.345,1110 1,1111 2.991,1112 27.502,1113 2.334,1114 16.816,1115 21.58,1116 0.217,1117 34.385,1118 15.438,1119 0.91,1120 2.275,1121 29.454,1122 1.77,1123 18.001,1124 23.107,1126 36.839,1127 16.516,1128 3082,1129 6035,1130 12.307,1131 20.835,1132 28.094,1133 28.717,1134 27.546,1135 27.893,1136 27.855,1137 38.385,1138 1.72,1139 78.066,1140 25.903,1141 5.672,1142 6.661,1143 6.769,1144 5.32,1145 5.313,1146 7.66,1147 1.72,1148 18.533,1149 4.999,1150 8.844,1151 1.479,1152 1.511,1153 1.45,1154 1.468,1155 1.466,1156 2.02,1157 0.091,1158 4.109,1159 1.363,1160 4.062,1161 4.046,1162 4.728,1163 4.047,1164 7.726,1165 3.959,1166 3.919,1167 3.977,1168 3.867,1169 3.707,1170 6.999,1171 3.733,1172 3.644,1173 3.629,1174 3.711,1175 3.536,1176 4.963,1177 3.471,1178 3.313,1179 3.376,1180 3.168,1181 3.118,1182 4.851,1183 3.111,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.775,1189 2.715,1190 2.713,1191 2.785,1192 2.599,1193 2.497,1194 4.267,1195 2.505,1196 2.503,1197 2.614,1198 2.282,1199 2.308,1200 3.674,1201 2.29,1202 2.433,1203 2.543,1204 2.198,1205 2.076,1206 3.662,1207 2.083,1208 0.253,1209 0.245,1210 0.374,1211 0.223,1212 0.174,1213 4.801,1214 0.245,1215 4.661,1216 0.045,1217 7.111,1218 0.614,1219 4.228,1220 0.158,1221 3.313,1222 4.66,1223 0.86,1224 11.657,1225 2.999,1226 1.947,1227 1.957,1228 1.976,1229 2.026,1230 1.149,1231 2.057,1232 1.637,1233 1.583,1234 1.822,1235 1.873,1236 1.074,1237 1.869,1238 1.435,1239 1.456,1240 1.5,1241 1.634,1242 0.54,1243 1.662,1244 1.305,1245 1.241,1246 1.335,1247 1.527,1248 0.468,1249 1.519,1250 1.072,1251 1.002,1252 1.247,1253 1.353,1254 0.309,1255 1.355,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.612,1263 0.547,1264 0.925,1265 0.911,1267 0.927,1268 0.291,1269 0.152,1270 0.81,1271 0.724,1273 0.751,1274 3.664,1276 4.963,1277 2.398,1278 6.431,1279 4.443,1280 7.973,1281 6.26,1282 9.555,1288 4.992,1290 1.155,1292 5.463,1300 20.03,1301 57.911,1302 113.929,1303 133.58,1304 137.58,1305 137.58,1306 137.58,1307 30.925,1308 5.932,1309 87.21,1310 95.59,1311 11,1312 11.7,1313 3.807,1314 3.087,1315 31.394,1316 60,1317 46,1318 0.257,1319 130.365,1320 217.02,1321 309.85,1322 2458,1324 13.01,1325 0.723,1326 0.576,1327 13.26,1328 10.377,1329 8.555,1330 0.45,1331 0.359,1332 5.291,1333 7.338,1334 5.073,1335 4.205,1336 9.449,1337 6.816,1338 8.165,1339 0.314,1340 0.201,1341 9.552,1342 5.227,1343 5.771,1344 0.199,1345 0.112,1346 6.528,1347 3.259,1348 4.311,1349 0.135,1350 0.06,1351 4.828,1352 1.929,1353 2.719,1354 0.085,1355 0.034,1356 3.087,1357 1.088,1358 0.413,1359 63.542,1360 0.285,1361 18.66,1362 0.674,1363 90,1364 332.669,1365 135.609,1366 335.774,1367 439.9,1368 306,1369 100,1370 286.712,1371 151.345,1372 323.229,1373 457.52,1374 299,1375 4.301} {0 CHEMBL415519,1 1.553,2 13.833,3 3.94,4 15.522,5 119.624,6 7.177,7 0.387,8 4.144,9 4.255,10 3.798,11 3.714,12 5.185,13 3.644,14 4.692,15 4.865,16 3.994,17 4.072,18 5.936,19 3.966,20 4.978,21 5.209,22 3.975,23 4.202,24 5.959,25 4.062,26 4.98,27 5.205,28 3.965,29 4.199,30 5.983,31 4.056,32 4.996,33 5.223,34 3.986,35 4.206,36 6.045,37 4.07,38 4.994,39 5.234,40 3.94,41 4.198,42 5.992,43 4.051,44 4.942,45 5.186,46 3.862,47 4.139,48 5.924,49 3.991,50 4.887,51 5.136,52 3.798,53 4.024,54 5.927,55 3.888,56 0.093,57 0.835,58 16.354,59 6.298,60 20.393,61 7.955,62 0.411,63 1.312,64 27.279,65 10.517,66 82.82,67 13.642,68 0.388,69 1.596,70 38.307,71 13.535,72 80.784,73 17.614,74 0.379,75 1.597,76 38.247,77 13.592,78 83.256,79 17.618,80 0.393,81 1.628,82 37.996,83 13.346,84 84.201,85 17.581,86 0.356,87 1.63,88 37.074,89 13.208,90 73.601,91 17.831,92 0.242,93 1.522,94 34.456,95 12.927,96 57.191,97 17.557,98 0.218,99 1.394,100 31.442,101 11.678,102 57.931,103 16.122,104 48,105 40,106 0.252,107 0.58,108 0.782,109 0.87,110 0.877,111 0.877,112 3.439,113 1.157,114 -3.57,115 -3.54,116 -3.38,118 38.3,119 1,120 6,124 2,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 2,180 19,181 1,186 5,191 3,194 18,195 1,198 7,203 4,206 16,207 1,210 8,215 4,218 16,219 1,222 8,227 2,229 14,230 2,234 8,239 3,242 11,243 3,247 6,248 1,252 5,255 8,256 3,258 1,259 5,262 1,264 5,267 6,268 1,270 1772,271 19.957,272 19.957,273 19.957,274 19.957,275 19.957,276 17.779,277 11.248,278 12.401,279 20.196,280 15.292,281 15.292,282 15.292,283 15.292,284 15.292,285 11.953,286 5.809,287 5.855,288 15.652,289 4.354,290 2.338,291 1.101,292 0.558,293 0.513,294 0.513,295 4.107,299 1,300 1,301 837,302 4.848,306 242.3,313 2.2,314 35.542,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 65,326 415,327 4.679,328 4.455,329 6.703,330 4.11,331 3.185,332 4.472,333 2.341,334 10.866,335 3.011,336 4.38,337 3.596,338 6.5,339 4.014,340 3.015,341 3.968,343 10.18,344 2.92,345 3.908,346 3.039,347 5.414,348 3.514,349 2.517,350 3.47,352 7.104,353 2.509,354 3.555,355 2.699,356 5.134,357 3.237,358 2.232,359 2.922,361 6.125,362 2.219,363 3.529,364 2.182,365 4.659,366 3.111,367 2.123,368 2.709,370 5.184,371 2.097,372 3.051,373 1.914,374 4.15,375 2.626,376 1.637,377 2.227,379 3.817,380 1.617,381 2.721,382 1.656,383 3.838,384 2.472,385 1.479,386 1.75,388 2.948,389 1.467,390 2.5,391 1.487,392 3.564,393 2.381,394 1.4,395 1.5,397 2.885,398 1.369,399 2.5,400 1.333,401 3.414,402 2.133,403 1.169,404 1.5,406 2.445,407 1.123,408 2.5,409 1.128,410 3.376,411 2,412 1,413 1.496,415 2.275,416 1,417 2.312,418 1,419 3.26,420 1.957,421 1,422 1.278,424 2.136,425 0.954,426 2.196,427 1,428 3.247,429 1.835,430 0.844,431 1.077,433 1.992,434 0.833,435 1.383,436 0.782,437 2.893,438 1.254,439 0.279,440 0.29,442 0.523,443 0.268,444 1.317,445 0.62,446 2.599,447 1.176,448 0.182,449 0.199,451 0.342,452 0.179,453 1.142,454 0.354,455 2.534,456 0.891,457 -0.092,458 -0.107,460 -0.218,461 -0.09,462 14.467,463 0.482,464 0.676,465 0.023,466 35.25,467 1.175,468 18,469 0.6,470 17.25,471 0.575,472 27.384,473 0.913,474 34.133,475 0.569,476 27.411,477 0.914,478 6.518,479 0.217,480 7.892,481 0.263,482 0.127,483 0.058,484 0.173,487 0.594,488 1.309,489 0.907,490 1.27,491 0.683,492 1.07,493 0.474,494 1.171,495 1.06,496 1.189,497 0.445,498 1.127,499 0.997,500 0.95,501 1.083,502 0.991,503 0.997,504 0.97,505 1.031,506 1.035,507 1.12,508 1.055,509 1.063,510 1.038,511 1.052,512 1.025,513 1.059,514 0.997,515 1.02,516 1.015,517 0.886,518 0.978,519 0.981,520 0.961,521 0.825,522 1.016,523 0.697,524 1.047,525 0.888,526 1.031,527 0.692,528 1.049,529 0.777,530 1.08,531 0.739,532 0.972,533 0.76,534 1.023,535 6,536 0.223,537 2.889,538 1.563,539 0.933,540 0.618,541 0.545,542 0.436,543 0.324,544 0.211,545 11831,546 34929,547 1.951,548 50,549 9,550 11,552 2,553 2,554 2,555 4,558 1.728,559 1.827,560 3.696,561 0.21,563 1,567 93.165,568 1.553,569 3.569,570 4.806,571 5.348,572 5.394,573 5.394,574 3.223,575 4.415,576 4.87,577 3.922,578 1706,579 8.497,580 25498.4,582 1,585 354.413,586 1.443,587 4.829,588 0.194,589 0.01,590 0.072,591 0.04,592 0.025,593 0.016,594 0.015,595 0.012,596 0.01,597 0.008,598 0.401,599 0.33,600 0.88,601 2.224,602 158.196,603 0.058,604 -0.062,605 0.181,606 -0.026,607 -0.098,608 0.028,609 0.292,610 -0.037,611 -0.051,612 -0.09,613 0.282,614 -0.09,615 -0.112,616 0.061,617 -0.064,618 0.044,619 -0.102,620 0.035,621 -0.119,622 -0.026,623 -0.102,624 -0.017,625 -0.124,626 -0.031,627 -0.128,628 -0.012,629 -0.085,630 0.001,631 -0.088,632 -0.023,633 -0.093,634 0.034,635 -0.062,636 0.005,637 -0.055,638 -0.023,639 -0.004,640 -0.069,641 -0.018,642 -0.07,643 0.005,644 -0.039,645 0.019,646 -0.14,647 0.059,648 -0.081,649 0.034,650 -0.035,651 4.115,652 4.886,653 0.4,654 39.004,655 0.999,656 1.126,657 2.338,658 5.467,659 0.652,660 3.466,661 3.714,662 3.829,663 3.989,664 4.159,665 4.159,666 4.29,667 4.357,668 4.369,669 4.369,670 8.041,671 0.608,672 430.62,673 3.466,674 4.963,675 5.746,676 6.583,677 7.391,678 8.236,679 9.056,680 9.906,681 10.734,682 11.587,683 3.3,685 1,693 1,699 8,700 1,704 3,706 12,724 60,726 16,727 1,728 31,730 61,731 23,733 11,734 2,735 4,736 2,739 2,740 2,745 1,751 6,753 14,754 9,756 4,760 1,761 3,763 1,765 2,769 1,772 30,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,822 1,823 1,830 1,832 2,834 1,836 1,840 30,844 1,845 1,846 8,847 1,862 6.7,864 1,865 3,869 16.417,870 10.567,871 6.889,872 3.85,874 2.196,875 1.32,876 0.928,877 9.89,878 9.054,879 3.738,880 4.263,881 4.615,882 5.078,883 5.568,884 5.709,885 6.095,886 6.369,887 6.589,888 6.819,889 1,890 39,891 11.282,893 4.765,894 7.958,895 21.272,897 17.032,899 2.458,900 73.75,903 1,904 329.591,905 130.926,906 33.191,908 112.141,910 5.807,911 125.119,912 441.732,913 33.191,914 8.825,915 18.213,916 88.546,917 153.379,918 30.837,920 306.049,922 329.591,923 158.309,924 112.141,925 5.807,927 282.506,928 159.226,931 61.538,932 70.51,933 32.069,935 329.591,936 145.332,937 130.926,939 5.807,940 329.591,941 31.865,942 93.254,943 16.405,944 128.927,945 329.591,946 145.332,947 130.926,949 0.558,950 0.293,951 0.148,952 0.083,953 14,954 7,955 0.213,956 13,958 1,959 4.192,960 234.253,962 12,963 141.207,967 1,968 23.949,969 12.389,970 8.932,972 145.332,973 15.384,974 4.19,978 3.045,980 59.088,981 605.849,982 41,986 -3.198,987 34.52,989 2.052,991 0.223,994 59.96,995 67.567,996 0.263,997 0.604,998 0.814,999 0.905,1000 0.913,1001 0.913,1002 4.934,1003 1.4,1004 5.72,1005 2.948,1006 4.394,1007 4.949,1008 2.258,1009 6.469,1010 4.348,1011 6.132,1012 1.169,1013 7.245,1014 2.885,1015 4.007,1016 4.924,1017 2.243,1018 7.582,1019 3.899,1020 7.449,1021 1,1022 8.888,1023 2.445,1024 5.974,1025 7.165,1026 3.628,1027 10.503,1028 5.862,1029 8.812,1030 1,1031 10.607,1032 2.275,1033 6.431,1034 7.978,1035 4.112,1036 12.454,1037 6.239,1038 10.214,1039 0.844,1040 12.376,1041 2.136,1042 7.884,1043 9.743,1044 5.201,1045 14.97,1046 7.683,1047 11.643,1048 0.279,1049 14.179,1050 1.992,1051 8.717,1052 10.908,1053 5.889,1054 17.194,1055 8.434,1056 13.093,1057 0.182,1058 16.005,1059 0.523,1060 9.972,1061 12.5,1062 6.849,1063 19.602,1064 9.666,1065 3.185,1066 -0.092,1067 17.848,1068 0.342,1069 10.974,1070 13.825,1071 7.625,1072 21.917,1073 10.593,1074 3.015,1075 10.866,1076 19.702,1077 -0.218,1078 12.153,1079 15.348,1080 8.526,1081 24.295,1082 11.736,1083 2.517,1084 10.18,1085 21.565,1086 4.472,1087 13.23,1088 16.751,1089 9.342,1090 26.642,1091 12.747,1092 2.232,1093 7.104,1094 23.434,1095 3.968,1096 14.381,1097 18.247,1098 10.216,1099 29.012,1100 13.854,1101 2.123,1102 6.125,1103 25.307,1104 3.47,1105 15.493,1106 19.689,1107 11.051,1108 31.371,1109 14.905,1110 1.637,1111 5.184,1112 27.185,1113 2.922,1114 16.635,1115 21.175,1116 11.912,1117 33.739,1118 15.998,1119 1.479,1120 3.817,1121 29.066,1122 2.709,1123 17.763,1124 22.638,1125 12.755,1126 36.104,1127 17.068,1128 12098,1129 20912,1130 20.049,1131 39.137,1132 44.044,1133 46.119,1134 45.24,1135 44.184,1136 44.123,1137 57.718,1138 4.682,1139 117.644,1140 43.135,1141 5.597,1142 6.455,1143 6.545,1144 5.146,1145 5.185,1146 7.472,1147 3.925,1148 17.608,1149 5.011,1150 17.062,1151 1.421,1152 1.488,1153 1.459,1154 1.425,1155 1.423,1156 1.862,1157 0.151,1158 3.795,1159 1.391,1160 4.043,1161 4.057,1162 4.721,1163 3.996,1164 7.716,1165 3.963,1166 3.964,1167 3.953,1168 3.953,1169 3.927,1170 7.474,1171 3.822,1172 3.812,1173 3.847,1174 3.747,1175 3.732,1176 6.999,1177 3.727,1178 3.696,1179 3.742,1180 3.58,1181 3.552,1182 6.351,1183 3.547,1184 3.553,1185 3.62,1186 3.385,1187 3.403,1188 4.922,1189 3.372,1190 3.427,1191 3.458,1192 3.343,1193 3.291,1194 4.719,1195 3.28,1196 3.283,1197 3.332,1198 3.149,1199 3.103,1200 4.247,1201 3.095,1202 3.008,1203 3.063,1204 2.871,1205 2.81,1206 4.143,1207 2.818,1208 0.151,1209 0.144,1210 0.216,1211 0.133,1212 0.103,1213 4.679,1214 0.144,1215 4.455,1216 0.076,1217 6.703,1218 0.351,1219 4.11,1220 0.097,1221 3.185,1222 4.472,1223 2.341,1224 10.866,1225 3.011,1226 1.991,1227 1.968,1228 2.093,1229 2.065,1230 1.338,1231 2.082,1232 1.843,1233 1.842,1234 1.967,1235 1.973,1236 1.292,1237 2.021,1238 1.791,1239 1.767,1240 1.951,1241 1.906,1242 1.214,1243 1.927,1244 1.679,1245 1.63,1246 1.889,1247 1.856,1248 1.039,1249 1.868,1250 1.534,1251 1.479,1252 1.708,1253 1.733,1254 0.916,1255 1.772,1256 1.38,1257 1.348,1258 1.551,1259 1.562,1260 0.819,1261 1.585,1262 1.248,1263 1.197,1264 1.503,1265 1.473,1266 0.66,1267 1.488,1268 0.966,1269 0.915,1270 1.206,1271 1.22,1272 0.402,1273 1.249,1274 4.143,1276 5.407,1278 6.851,1280 8.378,1282 9.951,1284 1.97,1289 8.833,1290 4.078,1291 2.654,1300 36.464,1301 93.165,1302 214.154,1303 288.374,1304 320.904,1305 323.659,1306 323.659,1307 94.687,1308 6.858,1309 96.36,1310 104.74,1311 12,1312 12.149,1313 4.087,1314 3.459,1315 69.331,1316 141,1317 164,1318 0.233,1319 233.893,1320 414.49,1321 562.458,1322 7979,1324 21.822,1325 0.727,1326 0.607,1327 22.072,1328 18.197,1329 14.41,1330 0.465,1331 0.386,1332 10.352,1333 13.215,1334 9.953,1335 8.334,1336 15.263,1337 11.953,1338 12.681,1339 0.317,1340 0.227,1341 14.013,1342 9.086,1343 8.994,1344 0.2,1345 0.137,1346 9.848,1347 6.153,1348 6.906,1349 0.13,1350 0.08,1351 7.586,1352 4.259,1353 5.464,1354 0.087,1355 0.046,1356 6.002,1357 2.886,1358 0.376,1359 98.076,1360 0.223,1361 29.071,1362 0.611,1363 142,1364 436.195,1365 187.051,1366 441.492,1367 576.26,1368 404,1369 156,1370 374.634,1371 205.044,1372 412.538,1373 583.9,1374 386,1375 8.301} {0 CHEMBL415946,1 1.446,2 8.696,3 3.957,4 15.654,5 90.079,6 7.172,7 0.64,8 3.842,9 3.957,10 3.374,11 3.416,12 4.951,13 3.381,14 4.36,15 4.533,16 3.707,17 3.799,18 5.475,19 3.737,20 4.609,21 4.822,22 3.746,23 3.933,24 5.554,25 3.843,26 4.676,27 4.895,28 3.736,29 3.985,30 5.583,31 3.88,32 4.719,33 4.932,34 3.705,35 4.026,36 5.636,37 3.897,38 4.815,39 5.075,40 3.604,41 4.007,42 5.693,43 3.843,44 4.696,45 4.971,46 3.434,47 3.844,48 5.546,49 3.672,50 4.494,51 4.771,52 3.279,53 3.549,54 5.485,55 3.407,56 0.029,57 0.59,58 8.963,59 4.061,60 7.909,61 5.323,62 0.182,63 0.968,64 16.257,65 6.605,66 35.023,67 9.104,68 0.192,69 1.185,70 22.073,71 8.492,72 32.409,73 11.744,74 0.247,75 1.28,76 23.687,77 8.98,78 28.953,79 12.498,80 0.166,81 1.312,82 24.362,83 9.963,84 30.721,85 13.79,86 0.337,87 1.385,88 28.403,89 10.936,90 45.25,91 15.619,92 0.158,93 1.213,94 25.307,95 9.863,96 29.276,97 14.203,98 0.146,99 0.938,100 21.197,101 7.838,102 28.13,103 11.07,104 15,105 34,106 0.251,107 0.613,108 0.796,109 0.883,110 0.891,111 0.891,112 3.189,113 0.946,114 -3.85,115 -3.81,116 -3.62,118 44.2,119 1,120 3,124 1,140 6,141 3,143 2,150 2,154 1,163 1,167 1,168 10,169 1,172 8,175 1,177 1,180 9,181 1,186 7,191 1,194 8,195 1,197 1,198 5,203 1,206 12,210 2,211 1,218 15,221 1,222 3,225 1,229 14,234 3,242 8,243 4,247 5,252 4,255 2,256 4,259 4,260 1,264 4,268 2,270 799,271 15.656,272 15.656,273 15.656,274 15.656,275 15.656,276 13.531,277 10.311,278 9.559,279 15.82,280 12.366,281 12.366,282 12.366,283 12.366,284 12.366,285 9.227,286 7.781,287 4.549,288 12.639,289 3.98,290 1.897,291 0.843,292 0.343,293 0.297,294 0.297,295 3.871,298 1,299 1,300 1,301 423,302 3.162,305 47.203,306 121.199,309 91.225,313 1.214,314 17.218,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 49,326 200,327 4.783,328 3.596,329 7.113,330 4.339,331 3.371,332 4.741,333 2.341,334 12.34,335 3.269,336 3.994,337 3.432,338 6.073,339 3.565,340 2.576,341 3.596,343 8.616,344 2.548,345 3.554,346 2.576,347 5.602,348 3.246,349 2.245,350 2.844,352 6.91,353 2.226,354 3.477,355 2.301,356 4.932,357 3.08,358 2.118,359 2.793,361 5.258,362 2.029,363 3.39,364 1.985,365 4.658,366 2.906,367 1.926,368 2.708,370 5.171,371 1.885,372 2.915,373 1.595,374 3.859,375 2.461,376 1.478,377 2.106,379 3.216,380 1.449,381 2.667,382 1.445,383 3.678,384 2.395,385 1.403,386 1.72,388 2.999,389 1.388,390 2.529,391 1.196,392 3.552,393 2.109,394 1.127,395 1.528,397 2.65,398 1.105,399 2.5,400 1.071,401 3.429,402 1.956,403 1,404 1.5,406 2.215,407 0.953,408 2.282,409 1,410 3.247,411 1.918,412 0.928,413 1.213,415 2.136,416 0.916,417 1.555,418 0.762,419 2.995,420 1.367,421 0.38,422 0.425,424 0.86,425 0.372,426 1.066,427 0.391,428 2.543,429 0.798,430 -0.183,431 -0.211,433 -0.446,434 -0.178,435 0.788,436 0.046,437 2.316,438 0.412,439 -0.575,440 -0.712,442 -1.377,443 -0.561,444 0.622,445 -0.361,446 2.108,447 0.17,448 -0.816,449 -1.03,451 -1.844,452 -0.783,453 0.567,454 -0.682,455 2,456 0.112,457 -0.872,458 -1.277,460 -2,461 -0.86,462 10.967,463 0.477,464 0.49,465 0.021,466 29.75,467 1.293,468 15.5,469 0.674,470 14.25,471 0.62,472 18.174,473 0.79,474 24.433,475 0.568,476 20.26,477 0.881,478 5.862,479 0.255,480 5.319,481 0.231,482 0.106,484 0.31,487 0.78,488 1.237,489 0.827,490 1.044,491 0.697,492 0.959,493 0.568,494 1.135,495 0.865,496 1.001,497 0.385,498 0.967,499 0.938,500 1.036,501 0.951,502 0.927,503 0.858,504 0.936,505 0.907,506 0.936,507 1.075,508 0.953,509 0.715,510 1.013,511 0.758,512 1.189,513 1.137,514 1.196,515 0.712,516 1.214,517 0.606,518 0.933,519 1.026,520 1.003,521 0.655,522 1.06,523 0.516,524 1.019,525 0.938,526 1.076,527 0.497,528 1.062,529 0.832,530 0.947,531 0.839,532 1.019,533 0.898,534 0.941,535 3,536 0.062,537 2.222,538 2.424,539 1.223,540 0.604,541 0.303,542 0.234,543 0.286,544 0.11,545 5118,546 14168,547 2.067,548 46.5,549 5,550 8,552 2,553 1,554 2,555 2,558 1.664,559 1.944,560 3.073,561 -0.369,563 1,567 62.18,568 1.446,569 3.529,570 4.583,571 5.083,572 5.13,573 5.13,574 2.496,575 4.089,576 4.486,577 3.256,578 823.816,579 7.766,580 9264.67,582 1,584 1,585 233.329,586 1.371,587 4.458,588 0.12,589 0.009,590 0.065,591 0.069,592 0.036,593 0.019,594 0.011,595 0.01,596 0.015,597 0.008,598 0.362,599 0.5,600 1,601 1.563,602 106.174,603 -0.044,604 -0.109,605 0.034,606 0.001,607 -0.049,608 0.019,609 0.161,610 -0.039,611 0.038,612 0.001,613 0.214,614 0.006,615 -0.098,616 -0.005,617 -0.007,618 0.059,619 -0.087,620 0.04,621 -0.113,622 0.118,623 -0.134,624 0.019,625 -0.078,626 -0.046,627 -0.087,628 -0.182,629 -0.219,630 -0.193,631 -0.091,632 -0.221,633 0.062,634 0.029,635 -0.071,636 -0.02,637 -0.033,638 -0.058,639 0.051,640 -0.084,641 0.018,642 -0.09,643 0.033,644 -0.045,645 0.083,646 -0.05,647 0.167,648 -0.048,649 0.073,650 0.059,651 2.397,652 3.7,653 0.652,654 19.335,655 0.996,656 1.12,657 2.619,658 6.861,659 0.669,660 3.258,661 3.555,662 3.85,663 4.174,664 4.407,665 4.466,666 4.605,667 4.682,668 4.625,669 4.511,670 5.352,671 0.633,672 308.41,673 3.258,674 4.779,675 5.631,676 6.518,677 7.404,678 8.309,679 9.213,680 10.128,681 11.042,682 11.962,683 4.7,691 1,693 1,698 2,699 8,700 1,704 3,705 1,706 16,724 43,726 17,727 1,728 25,730 45,731 19,733 13,734 2,735 4,739 3,740 4,745 1,751 3,753 14,754 5,756 1,761 1,765 1,769 1,772 20,773 3,774 1,775 4,779 2,784 0.667,785 2,795 1,797 1,801 1,802 2,805 1,818 1,830 1,832 2,836 1,840 23,845 1,846 4,862 4.7,864 1,865 1,869 11.833,870 7.933,871 5.167,872 2.689,874 3.207,875 1.462,876 0.966,877 4.657,878 10.146,879 3.555,880 4.171,881 4.805,882 5.478,883 6.047,884 6.382,885 6.856,886 7.266,887 7.458,888 7.671,889 0.833,890 35,891 8.48,893 3.534,894 7.761,895 16.348,897 13.369,899 2.261,900 52,903 1,904 223.651,905 108.242,906 18.685,908 67.828,911 108.242,912 291.479,913 18.685,914 8.825,915 9.709,916 56.857,917 109.066,918 28.938,919 4.901,920 200.109,922 223.651,923 126.926,924 67.828,927 200.109,928 91.37,931 38.528,932 71.612,933 16.786,935 223.651,936 86.513,937 108.242,940 223.651,941 24.464,942 85.677,944 84.614,945 223.651,946 86.513,947 108.242,949 0.567,950 0.326,951 0.19,952 0.109,953 16,954 7,955 0.133,956 6,957 1,958 1.133,959 3.48,960 184.094,961 0.133,962 15,963 102.042,968 15.604,969 6.865,970 3.237,971 2.434,972 84.614,973 16.036,974 4.242,978 3.515,979 2.295,980 42.683,981 418.406,982 34,987 10.7,991 -0.731,994 42.811,995 48.152,996 0.266,997 0.65,998 0.845,999 0.937,1000 0.945,1001 0.945,1002 4.762,1003 1.127,1004 5.602,1005 2.999,1006 4.234,1007 4.856,1008 2.258,1009 6.441,1010 4.19,1011 5.971,1012 1,1013 7.169,1014 2.65,1015 3.761,1016 4.677,1017 2.243,1018 7.455,1019 3.687,1020 7.283,1021 0.928,1022 8.853,1023 2.215,1024 5.82,1025 7.126,1026 3.628,1027 10.649,1028 5.725,1029 8.641,1030 0.38,1031 10.611,1032 2.136,1033 6.256,1034 7.876,1035 4.112,1036 12.599,1037 6.123,1038 10.041,1039 -0.183,1040 12.418,1041 0.86,1042 7.772,1043 9.78,1044 5.201,1045 15.322,1046 7.617,1047 11.475,1048 -0.575,1049 14.26,1050 -0.446,1051 8.646,1052 10.976,1053 5.889,1054 17.626,1055 8.451,1056 12.935,1057 -0.816,1058 16.128,1059 -1.377,1060 9.955,1061 12.663,1062 6.849,1063 20.203,1064 9.735,1065 3.371,1066 -0.872,1067 18.014,1068 -1.844,1069 11.028,1070 14.064,1071 7.625,1072 22.639,1073 10.769,1074 2.576,1075 12.34,1076 19.915,1077 -2,1078 12.266,1079 15.666,1080 8.526,1081 25.171,1082 11.978,1083 2.245,1084 8.616,1085 21.827,1086 4.741,1087 13.422,1088 17.156,1089 9.342,1090 27.655,1091 13.098,1092 2.118,1093 6.91,1094 23.748,1095 3.596,1096 14.639,1097 18.727,1098 10.216,1099 30.173,1100 14.284,1101 1.926,1102 5.258,1103 25.676,1104 2.844,1105 15.829,1106 20.255,1107 11.051,1108 32.674,1109 15.44,1110 1.478,1111 5.171,1112 27.61,1113 2.793,1114 17.042,1115 21.815,1116 11.912,1117 35.188,1118 16.621,1119 1.403,1120 3.216,1121 29.549,1122 2.708,1123 18.246,1124 23.358,1125 12.755,1126 37.697,1127 17.792,1128 5098,1129 8548,1130 16.701,1131 28.773,1132 37.369,1133 37.882,1134 38.434,1135 37.124,1136 37.101,1137 50.349,1138 4.682,1139 104.744,1140 36.279,1141 5.678,1142 5.596,1143 6.915,1144 5.376,1145 5.371,1146 7.741,1147 3.925,1148 19.844,1149 5.269,1150 10.521,1151 1.495,1152 1.515,1153 1.537,1154 1.485,1155 1.484,1156 2.014,1157 0.187,1158 4.19,1159 1.451,1160 4.171,1161 4.203,1162 4.138,1163 4.09,1164 7.474,1165 4.098,1166 3.808,1167 3.849,1168 3.746,1169 3.716,1170 6.351,1171 3.718,1172 3.712,1173 3.759,1174 3.587,1175 3.564,1176 4.975,1177 3.557,1178 3.454,1179 3.501,1180 3.356,1181 3.318,1182 4.816,1183 3.317,1184 3.328,1185 3.381,1186 3.19,1187 3.131,1188 4.27,1189 3.14,1190 3.056,1191 3.12,1192 2.901,1193 2.844,1194 4.028,1195 2.848,1196 2.828,1197 2.9,1198 2.675,1199 2.708,1200 3.819,1201 2.693,1202 2.786,1203 2.863,1204 2.602,1205 2.627,1206 3.792,1207 2.604,1208 0.191,1209 0.144,1210 0.285,1211 0.174,1212 0.135,1213 4.783,1214 0.19,1215 3.596,1216 0.094,1217 7.113,1218 0.494,1219 4.339,1220 0.131,1221 3.371,1222 4.741,1223 2.341,1224 12.34,1225 3.269,1226 1.945,1227 1.92,1228 2.049,1229 2.048,1230 1.322,1231 2.048,1232 1.883,1233 1.848,1234 1.998,1235 1.989,1236 1.171,1237 1.995,1238 1.706,1239 1.654,1240 1.918,1241 1.876,1242 1.06,1243 1.892,1244 1.498,1245 1.449,1246 1.704,1247 1.692,1248 0.83,1249 1.691,1250 1.291,1251 1.237,1252 1.566,1253 1.52,1254 0.721,1255 1.537,1256 1.019,1257 0.966,1258 1.262,1259 1.286,1260 0.394,1261 1.276,1262 0.844,1263 0.787,1264 1.111,1265 1.047,1266 0.231,1267 1.075,1268 0.81,1269 0.736,1270 1.108,1271 1.006,1272 0.178,1273 1.044,1274 3.932,1276 5.231,1277 2.398,1278 6.737,1279 4.949,1280 8.345,1281 7.222,1282 10.015,1284 2.137,1289 8.804,1290 2.567,1300 27.214,1301 62.18,1302 151.766,1303 197.065,1304 218.574,1305 220.574,1306 220.574,1307 35.032,1308 6.938,1309 55.12,1310 55.12,1311 17,1312 12.472,1313 4.17,1314 3.322,1315 36.566,1316 69,1317 86,1318 0.255,1319 169.007,1320 285.94,1321 404.136,1322 8383,1324 16.234,1325 0.706,1326 0.574,1327 16.234,1328 13.197,1329 11.182,1330 0.447,1331 0.315,1332 7.811,1333 10.867,1334 7.602,1335 6.327,1336 11.182,1337 7.882,1338 9.789,1339 0.288,1340 0.169,1341 9.789,1342 5.735,1343 7.965,1344 0.173,1345 0.091,1346 7.965,1347 4.181,1348 6.971,1349 0.109,1350 0.049,1351 6.971,1352 3.13,1353 5.742,1354 0.071,1355 0.027,1356 5.742,1357 2.186,1358 0.386,1359 69.281,1360 0.245,1361 22.285,1362 0.741,1363 118,1364 323.175,1365 126.563,1366 316.796,1367 432.85,1368 296,1369 139,1370 317.3,1371 146.82,1372 323.065,1373 470.67,1374 305,1375 8} {0 CHEMBL416374,1 1.498,2 12.355,3 4.734,4 22.411,5 123.42,6 6.993,7 0.375,8 4.143,9 4.277,10 3.629,11 3.666,12 5.297,13 3.629,14 4.644,15 4.838,16 3.896,17 4.019,18 5.763,19 3.936,20 4.917,21 5.155,22 3.914,23 4.155,24 5.884,25 4.043,26 4.972,27 5.233,28 3.956,29 4.167,30 5.936,31 4.053,32 4.959,33 5.199,34 4.012,35 4.21,36 5.972,37 4.114,38 4.993,39 5.224,40 4.052,41 4.262,42 6.01,43 4.157,44 5.057,45 5.308,46 4.014,47 4.256,48 6.071,49 4.143,50 5.046,51 5.311,52 3.997,53 4.178,54 6.127,55 4.067,56 0.05,57 0.863,58 12.854,59 5.295,60 15.488,61 7.355,62 0.301,63 1.309,64 22.544,65 8.993,66 49.713,67 12.665,68 0.278,69 1.583,70 30.977,71 10.933,72 54.524,73 16.072,74 0.328,75 1.642,76 33.263,77 11.602,78 59.704,79 17.244,80 0.325,81 1.688,82 32.374,83 10.838,84 57.73,85 16.216,86 0.229,87 1.782,88 32.878,89 11.672,90 50.49,91 17.426,92 0.355,93 1.843,94 35.87,95 11.663,96 58.121,97 17.778,98 0.26,99 1.709,100 36.02,101 12.069,102 63.585,103 18.154,104 57,105 40,106 0.243,107 0.618,108 0.809,109 0.878,110 0.883,111 0.883,112 3.471,113 0.974,114 -4.51,115 -4.43,116 -4.17,118 40,119 2,120 4,121 1,124 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 15,169 1,172 4,175 4,176 1,177 3,180 17,181 1,186 4,191 3,194 14,195 1,197 1,198 7,201 1,203 7,206 13,207 1,210 6,215 7,218 12,219 1,222 8,227 9,229 10,230 2,234 9,237 1,239 6,242 8,243 3,247 9,248 1,252 6,255 9,256 2,258 2,259 6,262 2,264 4,265 1,267 8,268 1,270 1914,271 20.819,272 20.819,273 20.819,274 20.819,275 20.819,276 18.487,277 17.474,278 13.138,279 21.142,280 15.83,281 15.83,282 15.83,283 15.83,284 15.83,285 12.382,286 17.867,287 6.233,288 16.306,289 4.409,290 2.092,291 0.917,292 0.492,293 0.458,294 0.458,295 4.141,299 1,300 1,301 768,302 4.848,306 242.15,313 1.915,314 26.993,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 66.5,326 383,327 4.393,328 3.921,329 6.508,330 4.026,331 3.03,332 3.987,333 2.341,334 10.225,335 3.019,336 4.001,337 3.596,338 5.617,339 3.591,340 2.647,341 3.501,342 1.374,343 7.776,344 2.513,345 3.773,346 3.096,347 5.271,348 3.299,349 2.336,350 3.103,351 1.107,352 6.616,353 2.253,354 3.551,355 2.986,356 4.91,357 3.237,358 2.232,359 2.778,360 0.268,361 5.581,362 2.219,363 3.465,364 2.483,365 4.659,366 3.181,367 2.194,368 2.706,370 5.183,371 2.147,372 3.366,373 2.216,374 4.646,375 2.949,376 1.981,377 2.215,379 5.14,380 1.911,381 3.19,382 2.085,383 4.115,384 2.57,385 1.582,386 2.155,388 3.732,389 1.56,390 2.983,391 1.855,392 3.564,393 2.378,394 1.398,395 1.809,397 2.947,398 1.365,399 2.726,400 1.486,401 3.497,402 2.185,403 1.227,404 1.768,406 2.629,407 1.183,408 2.638,409 1.312,410 3.324,411 2.15,412 1.193,413 1.67,415 2.378,416 1.131,417 2.5,418 1.2,419 3.261,420 1.957,421 1,422 1.5,424 2.136,425 0.954,426 2.205,427 1.101,428 3.247,429 1.809,430 0.862,431 1.063,433 1.925,434 0.811,435 2.065,436 1,437 3.059,438 1.789,439 0.803,440 0.989,442 1.56,443 0.791,444 1.297,445 0.591,446 2.595,447 1.123,448 0.122,449 0.136,451 0.278,452 0.121,453 1.227,454 0.563,455 2.524,456 0.881,457 -0.068,458 -0.081,460 -0.171,461 -0.065,462 14.667,463 0.473,464 0.596,465 0.019,466 38.75,467 1.25,468 20,469 0.645,470 18.75,471 0.605,472 27.374,473 0.883,474 33.933,475 0.566,476 30.567,477 0.986,478 7.513,479 0.242,480 7.477,481 0.241,482 0.141,484 0.239,487 0.854,488 1.328,489 0.891,490 1.129,491 0.657,492 1.031,493 0.453,494 1.034,495 0.913,496 1.115,497 0.376,498 1.083,499 0.946,500 1.069,501 1.015,502 1.025,503 0.829,504 1.029,505 0.749,506 0.961,507 0.845,508 0.909,509 0.614,510 0.894,511 1,512 0.983,513 0.991,514 0.902,515 0.802,516 0.929,517 0.768,518 1.227,519 1.01,520 1.127,521 0.714,522 1.099,523 0.902,524 1.028,525 1.084,526 1.027,527 0.807,528 1.053,529 0.83,530 1.092,531 0.852,532 1.028,533 0.813,534 0.95,535 5.5,536 0.165,537 2.222,538 1.688,539 0.853,540 0.646,541 0.565,542 0.62,543 0.349,544 0.237,545 11844,546 33385,547 1.96,548 48.3,549 11,550 9,552 2,553 3,554 2,555 2,558 1.742,559 1.842,560 3.584,561 0.844,567 89.883,568 1.498,569 3.815,570 4.99,571 5.415,572 5.448,573 5.448,574 3.06,575 4.632,576 4.918,577 3.776,578 1755.96,579 8.628,580 26177.2,582 1,585 354.413,586 1.342,587 4.886,588 0.172,589 0.006,590 0.056,591 0.042,592 0.02,593 0.014,594 0.012,595 0.014,596 0.008,597 0.007,598 0.352,599 0.17,600 0.88,601 2.162,602 162.813,603 -0.073,604 -0.103,605 0.008,606 -0.01,607 -0.015,608 0.006,609 0.278,610 0.08,611 0.01,612 -0.049,613 0.211,614 -0.059,615 -0.103,616 -0.049,617 -0.058,618 -0.011,619 -0.088,620 -0.027,621 0.034,622 0.022,623 0.12,624 0.089,625 0.041,626 0.108,627 -0.137,628 0.071,629 -0.027,630 0.089,631 -0.083,632 0.056,633 -0.061,634 -0.164,635 -0.071,636 -0.108,637 -0.056,638 -0.094,639 -0.101,640 0.032,641 -0.121,642 -0.059,643 -0.082,644 -0.08,645 0.034,646 -0.128,647 0.125,648 -0.045,649 0.085,650 0.042,651 2.461,652 3.818,653 0.387,654 37.523,655 0.996,656 1.132,657 3.276,658 10.734,659 0.651,660 3.497,661 3.714,662 3.85,663 4.06,664 4.234,665 4.277,666 4.394,667 4.5,668 4.454,669 4.454,670 7.458,671 0.614,672 419.58,673 3.497,674 4.977,675 5.759,676 6.586,677 7.396,678 8.236,679 9.06,680 9.908,681 10.742,682 11.595,683 8.3,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 60,726 16,727 1,728 32,730 61,731 24,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 2,751 4,752 1,753 15,754 8,755 1,756 3,761 1,763 1,764 1,765 3,772 29,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 2,840 31,845 1,846 5,847 2,850 1,853 1,858 1,860 1,862 3.3,864 1,865 1,869 16.833,870 11.05,871 7.222,872 3.703,874 2.492,875 1.36,876 0.915,877 10.275,878 9.411,879 3.784,880 4.234,881 4.654,882 5.18,883 5.664,884 5.834,885 6.224,886 6.564,887 6.764,888 6.998,889 1,890 40,891 11.386,893 4.53,894 7.866,895 21.621,897 16.648,899 2.366,900 73.333,903 1,904 306.049,905 145.618,906 100.652,908 67.828,911 145.618,912 373.877,913 100.652,914 17.65,915 12.244,916 84.344,917 143.25,918 78.253,919 1.899,920 282.506,922 306.049,923 246.27,924 67.828,927 282.506,928 91.37,931 113.845,932 88.153,933 44.273,935 306.049,936 168.48,937 145.618,940 306.049,941 27.366,942 102.079,943 52.194,944 132.459,945 306.049,946 168.48,947 145.618,949 0.548,950 0.287,951 0.155,952 0.086,953 13,954 7,955 0.197,956 12,958 1,959 4.198,960 249.85,962 12,963 151.58,968 24.117,969 13.208,970 9.026,972 168.48,973 15.172,974 4.215,978 2.714,980 78.705,981 620.147,982 43,987 10.818,989 2.046,990 4.45,991 0.596,994 59.767,995 67.893,996 0.254,997 0.646,998 0.845,999 0.917,1000 0.922,1001 0.922,1002 4.977,1003 1.398,1004 5.687,1005 3.732,1006 4.394,1007 4.92,1008 2.745,1009 6.378,1010 4.342,1011 6.143,1012 1.227,1013 7.165,1014 2.947,1015 3.761,1016 4.425,1017 2.331,1018 7.081,1019 3.702,1020 7.403,1021 1.193,1022 8.746,1023 2.629,1024 5.855,1025 6.937,1026 3.836,1027 10.156,1028 5.762,1029 8.693,1030 1,1031 10.392,1032 2.378,1033 6.043,1034 7.256,1035 4.148,1036 11.781,1037 5.95,1038 10.013,1039 0.862,1040 12.086,1041 2.136,1042 7.586,1043 9.237,1044 5.275,1045 14.362,1046 7.466,1047 11.355,1048 0.803,1049 13.813,1050 1.925,1051 8.196,1052 9.989,1053 5.902,1054 16.388,1055 8.082,1056 12.715,1057 0.122,1058 15.567,1059 1.56,1060 9.486,1061 11.702,1062 6.873,1063 18.799,1064 9.353,1065 3.03,1066 -0.068,1067 17.343,1068 0.278,1069 10.326,1070 12.706,1071 7.63,1072 20.996,1073 10.202,1074 2.647,1075 10.225,1076 19.135,1077 -0.171,1078 11.498,1079 14.271,1080 8.533,1081 23.349,1082 11.363,1083 2.336,1084 7.776,1085 20.941,1086 3.987,1087 12.462,1088 15.425,1089 9.344,1090 25.617,1091 12.336,1092 2.232,1093 6.616,1094 22.759,1095 3.501,1096 13.583,1097 16.905,1098 10.218,1099 27.95,1100 13.452,1101 2.194,1102 5.581,1103 24.586,1104 3.103,1105 14.612,1106 18.149,1107 11.051,1108 30.249,1109 14.489,1110 1.981,1111 5.183,1112 26.421,1113 2.778,1114 15.715,1115 19.583,1116 11.913,1117 32.575,1118 15.59,1119 1.582,1120 5.14,1121 28.262,1122 2.706,1123 16.778,1124 20.88,1125 12.756,1126 34.887,1127 16.658,1128 12174,1129 20589,1130 20.86,1131 39.074,1132 46.775,1133 48.557,1134 46.593,1135 45.272,1136 45.213,1137 58.761,1138 10.181,1139 116.209,1140 43.956,1141 5.222,1142 5.921,1143 6.31,1144 5.062,1145 5.03,1146 6.987,1147 3.925,1148 17.028,1149 5.019,1150 17.446,1151 1.462,1152 1.517,1153 1.456,1154 1.415,1155 1.413,1156 1.836,1157 0.318,1158 3.632,1159 1.374,1160 4.012,1161 4.043,1162 3.959,1163 3.95,1164 7.474,1165 3.948,1166 3.819,1167 3.869,1168 3.755,1169 3.715,1170 6.826,1171 3.718,1172 3.753,1173 3.812,1174 3.63,1175 3.623,1176 6.351,1177 3.61,1178 3.695,1179 3.741,1180 3.579,1181 3.549,1182 4.928,1183 3.544,1184 3.542,1185 3.618,1186 3.451,1187 3.307,1188 4.794,1189 3.34,1190 3.378,1191 3.407,1192 3.292,1193 3.208,1194 4.594,1195 3.22,1196 3.21,1197 3.301,1198 3.106,1199 2.975,1200 4.249,1201 2.99,1202 3.057,1203 3.115,1204 2.927,1205 2.849,1206 4.199,1207 2.864,1208 0.137,1209 0.123,1210 0.203,1211 0.126,1212 0.095,1213 4.393,1214 0.125,1215 3.921,1216 0.073,1217 6.508,1218 0.32,1219 4.026,1220 0.094,1221 3.03,1222 3.987,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.953,1228 2.075,1229 2.06,1230 1.298,1231 2.066,1232 1.796,1233 1.758,1234 2.01,1235 1.951,1236 1.283,1237 1.966,1238 1.754,1239 1.693,1240 1.923,1241 1.897,1242 1.124,1243 1.911,1244 1.678,1245 1.628,1246 1.887,1247 1.855,1248 0.943,1249 1.868,1250 1.45,1251 1.376,1252 1.647,1253 1.713,1254 0.791,1255 1.694,1256 1.322,1257 1.285,1258 1.529,1259 1.534,1260 0.674,1261 1.524,1262 1.162,1263 1.073,1264 1.417,1265 1.432,1266 0.469,1267 1.442,1268 0.99,1269 0.947,1270 1.401,1271 1.243,1272 0.388,1273 1.308,1274 4.174,1276 5.416,1278 6.834,1280 8.341,1282 9.902,1284 4.263,1289 8.89,1290 2.9,1291 5.78,1294 0.531,1298 9.034,1299 1.922,1300 36.858,1301 89.883,1302 228.887,1303 299.394,1304 324.904,1305 326.904,1306 326.904,1307 78.103,1308 6.919,1309 110.4,1310 110.4,1311 12,1312 12.156,1313 4.087,1314 3.585,1315 72.579,1316 134,1317 143,1318 0.256,1319 235.962,1320 420.78,1321 567.508,1322 8406,1324 22.476,1325 0.725,1326 0.581,1327 22.476,1328 18.006,1329 14.99,1330 0.468,1331 0.325,1332 10.281,1333 14.515,1334 9.97,1335 8.426,1336 14.99,1337 10.386,1338 12.748,1339 0.319,1340 0.188,1341 12.748,1342 7.501,1343 9.011,1344 0.196,1345 0.098,1346 9.011,1347 4.503,1348 7.361,1349 0.129,1350 0.051,1351 7.361,1352 2.923,1353 5.685,1354 0.084,1355 0.028,1356 5.685,1357 1.888,1358 0.404,1359 93.267,1360 0.219,1361 29.406,1362 0.696,1363 144,1364 427.486,1365 156.227,1366 423.341,1367 560.57,1368 392,1369 158,1370 394.808,1371 167.818,1372 404.061,1373 570.43,1374 378,1375 8.523} {0 CHEMBL416402,1 1.606,2 9.444,3 0.592,4 0.351,5 67.592,6 7.434,7 0.579,8 3.594,9 3.718,10 3.148,11 3.07,12 4.762,13 3.069,14 4.082,15 4.255,16 3.416,17 3.4,18 5.247,19 3.372,20 4.262,21 4.464,22 3.249,23 3.446,24 5.312,25 3.359,26 4.225,27 4.466,28 3.156,29 3.357,30 5.206,31 3.245,32 4.154,33 4.404,34 3.065,35 3.191,36 5.23,37 3.098,38 3.942,39 4.196,40 2.866,41 3.025,42 4.93,43 2.937,44 3.715,45 3.936,46 2.863,47 2.969,48 4.836,49 2.877,50 3.706,51 3.948,52 2.638,53 2.879,54 4.644,55 2.761,56 0.042,57 0.486,58 6.754,59 2.718,60 8.301,61 3.655,62 0.218,63 0.712,64 12.385,65 4.349,66 26.429,67 5.909,68 0.334,69 0.746,70 16.029,71 5.434,72 37.494,73 7.292,74 0.167,75 0.706,76 15.599,77 5.57,78 24.144,79 7.95,80 0.271,81 0.628,82 15.145,83 4.63,84 35.851,85 6.724,86 0.225,87 0.519,88 12.332,89 3.666,90 27.254,91 5.335,92 0.219,93 0.459,94 9.026,95 3.248,96 21.661,97 4.74,98 0.114,99 0.44,100 9.138,101 3.119,102 15.014,103 4.583,104 7,105 24,106 0.301,107 0.688,108 0.831,109 0.854,110 0.854,111 0.854,112 2.957,113 0.899,114 -2.14,115 -2.19,116 -2.17,118 39.4,120 1,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,159 1,160 1,161 1,168 5,171 1,172 3,174 1,175 1,177 1,180 6,183 1,185 1,186 3,191 1,194 4,196 1,198 3,203 2,208 2,209 1,210 5,215 2,220 2,222 2,233 1,234 3,236 1,237 1,247 3,259 1,270 390,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.585,277 14.073,278 7.54,279 12.439,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 7.156,286 14.543,287 3.632,288 9.886,289 3.438,290 1.369,291 0.606,292 0.485,293 0.485,294 0.485,295 3.616,299 1,300 1,301 352,302 2.915,305 57.653,306 64.052,313 1.778,314 15.765,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 170,327 4.06,328 3.559,329 5.534,330 3.674,331 2.691,332 3.648,333 1.969,334 7.518,335 2.655,336 3.919,337 2.917,338 5.354,339 3.458,340 2.541,341 3.478,342 0.86,343 7.003,344 2.326,345 3.634,346 2.645,347 5.197,348 3.292,349 2.323,350 2.897,351 0.219,352 6.573,353 2.238,354 3.269,355 2.472,356 4.399,357 2.86,358 1.857,359 2.451,361 4.512,362 1.839,363 2.713,364 1.632,365 3.606,366 2.345,367 1.411,368 1.775,370 3.006,371 1.312,372 2.5,373 1.204,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.172,382 1,383 3.195,384 1.839,385 0.937,386 1.121,388 2.058,389 0.839,390 2.118,391 0.765,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.412,400 0.618,401 2.638,402 1.122,403 0.156,404 0.184,406 0.366,407 0.148,408 0.925,409 0.24,410 2.348,411 0.643,412 -0.303,413 -0.348,415 -0.749,416 -0.283,417 0.572,418 -0.09,419 2,420 0.142,421 -0.834,422 -0.979,424 -2,425 -0.78,426 0.5,427 -0.461,428 1.68,429 0.022,430 -1,431 -1.368,433 -2.024,434 -1,435 0.289,436 -0.964,437 1.278,439 -1,440 -1.5,442 -2.857,443 -1.039,444 0.02,445 -1,446 1,447 -0.339,448 -1.277,449 -1.578,451 -3,452 -1.208,453 -0.118,454 -1.308,455 1,456 -0.702,457 -1.618,458 -1.906,460 -4.277,461 -1.469,462 8.367,463 0.465,464 0.349,465 0.019,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 10.587,473 0.588,474 19.833,475 0.601,476 14.796,477 0.822,478 5.028,479 0.279,480 3.709,481 0.206,482 0.088,484 0.227,487 0.851,488 1.428,489 0.799,490 1.167,491 0.715,492 0.993,493 1.017,494 1.017,495 0.971,496 1.017,497 0.577,498 0.984,499 1.364,500 0.916,501 1.261,502 1.053,503 1.314,504 1.137,505 0.786,506 1.123,507 0.934,508 1.2,509 0.571,510 1.119,511 1.08,512 0.994,513 0.982,514 1.016,515 1.072,516 0.992,517 1.222,518 0.846,519 0.97,520 0.788,521 1.105,522 0.829,523 0.303,524 1.007,525 0.826,526 1.028,527 0.24,528 1.025,529 0.78,530 1.172,531 1.027,532 1.145,533 0.633,534 1.138,535 3.5,536 0.053,537 1.111,538 0.597,539 0.507,540 0.344,541 0.248,542 0.078,543 0.103,544 0.047,545 3184,546 9775,547 2.026,548 45.5,550 8,551 1,552 2,553 2,554 2,558 1.576,559 1.929,560 3.238,561 0.429,563 1,565 1,567 53.001,568 1.606,569 3.676,570 4.438,571 4.56,572 4.56,573 4.56,574 2.711,575 3.503,576 4.139,577 3.417,578 522.728,579 6.973,580 5251.04,582 1,585 166.465,586 1.224,587 4.116,588 0.184,589 0.009,590 0.046,591 0.031,592 0.03,593 0.023,594 0.019,595 0.006,596 0.01,597 0.007,598 0.366,599 0.5,600 1,601 1.047,602 79.301,603 -0.079,604 -0.203,605 0.034,606 -0.091,607 -0.082,608 -0.016,609 -0.029,610 0.099,611 -0.059,612 -0.01,613 0.104,614 -0.033,615 -0.207,616 0.058,617 -0.3,618 -0.053,619 -0.245,620 -0.175,621 0.01,622 -0.214,623 0.016,624 -0.183,625 0.071,626 -0.098,627 -0.014,628 -0.101,629 0.025,630 -0.064,631 -0.026,632 -0.021,633 -0.168,634 0.056,635 0.038,636 0.162,637 -0.128,638 0.142,639 0.416,640 -0.008,641 0.094,642 -0.005,643 0.319,644 -0.013,645 -0.061,646 -0.216,647 -0.091,648 -0.146,649 -0.045,650 -0.132,651 1.997,652 3.739,653 0.611,654 15.63,655 1.008,656 1.133,657 0.913,658 0.833,659 0.651,660 2.996,661 3.219,662 3.332,663 3.497,664 3.497,665 3.434,666 3.497,667 3.434,668 3.367,669 3.367,670 5.8,671 0.626,672 245.31,673 2.996,674 4.466,675 5.242,676 6.057,677 6.847,678 7.663,679 8.46,680 9.276,681 10.077,682 10.892,683 9.1,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 33,726 12,727 1,728 19,730 34,731 13,733 9,734 2,735 4,739 2,740 2,751 1,753 10,754 3,756 1,761 1,765 1,769 1,772 15,773 4,774 2,775 5,778 1,779 3,784 1,785 2,801 1,802 1,815 1,832 2,840 18,841 1,846 3,848 1,862 6.1,865 1,867 1,869 9.333,870 5.65,871 4.083,872 1.783,874 1.93,875 1.325,876 0.954,877 4.367,878 7.863,879 3.277,880 3.778,881 4.184,882 4.668,883 4.886,884 4.844,885 5.051,886 5.173,887 5.22,888 5.538,889 1,890 19,891 6.591,893 2.651,894 7.889,895 12.42,897 9.547,899 2.389,900 43,901 0.001,904 153.024,905 86.985,906 51.582,908 36.145,911 86.985,912 189.169,913 51.582,915 42.13,916 46.952,917 78.796,918 30.375,919 11.771,920 117.711,922 153.024,923 138.567,924 36.145,927 153.024,928 36.145,931 61.695,932 60.086,933 16.786,935 153.024,936 87.727,937 86.985,940 153.024,941 22.366,942 66.518,944 85.828,945 153.024,946 87.727,947 86.985,949 0.558,950 0.291,951 0.154,952 0.071,953 10,954 4,955 0.176,956 6,958 1,959 3.236,960 112.698,962 11,963 71.059,968 12.647,969 6.215,970 4.188,972 85.828,973 12.74,974 3.951,978 1.674,979 1.946,980 32.897,981 327.736,982 25.5,987 10.739,991 -0.33,994 33.262,995 37.405,996 0.318,997 0.729,998 0.88,999 0.904,1000 0.904,1001 0.904,1002 4.44,1003 0.618,1004 5.165,1005 2.058,1006 3.892,1007 4.46,1008 2.212,1009 5.808,1010 3.805,1011 5.595,1012 0.156,1013 6.613,1014 1.372,1015 3.219,1016 3.98,1017 1.593,1018 6.326,1019 3.12,1020 6.844,1021 -0.303,1022 8.15,1023 0.366,1024 5.323,1025 6.5,1026 3.111,1027 9.305,1028 5.157,1029 8.125,1030 -0.834,1031 9.737,1032 -0.749,1033 5.442,1034 6.827,1035 3.123,1036 10.621,1037 5.254,1038 9.431,1039 -1,1040 11.355,1041 -2,1042 6.974,1043 8.77,1044 4.272,1045 13.037,1046 6.74,1047 10.755,1048 -1,1049 12.994,1050 -2.024,1051 7.476,1052 9.484,1053 4.586,1054 14.693,1055 7.213,1056 12.091,1057 -1.277,1058 14.646,1059 -2.857,1060 8.74,1061 11.156,1062 5.535,1063 16.879,1064 8.445,1065 2.691,1066 -1.618,1067 16.308,1068 -3,1069 9.445,1070 12.083,1071 6.005,1072 18.699,1073 9.123,1074 2.541,1075 7.518,1076 17.977,1077 -4.277,1078 10.571,1079 13.606,1080 6.84,1081 20.781,1082 10.225,1083 2.323,1084 7.003,1085 19.65,1086 3.648,1087 11.389,1088 14.66,1089 7.398,1090 22.683,1091 11.02,1092 1.857,1093 6.573,1094 21.327,1095 3.478,1096 12.442,1097 16.096,1098 8.167,1099 24.717,1100 12.055,1101 1.411,1102 4.512,1103 23.007,1104 2.897,1105 13.325,1106 17.228,1107 8.774,1108 26.662,1109 12.919,1110 1,1111 3.006,1112 24.689,1113 2.451,1114 14.34,1115 18.61,1116 9.505,1117 28.674,1118 13.919,1119 0.937,1120 2.275,1121 26.373,1122 1.775,1123 15.26,1124 19.792,1125 10.141,1126 30.643,1127 14.824,1128 3196,1129 5669,1130 12.712,1131 21.495,1132 27.437,1133 27.674,1134 27.2,1135 27.047,1136 27.069,1137 35.962,1138 6.096,1139 69.366,1140 25.869,1141 4.933,1142 5.559,1143 5.192,1144 4.758,1145 4.691,1146 6.648,1147 3.473,1148 12.793,1149 4.655,1150 7.558,1151 1.444,1152 1.457,1153 1.432,1154 1.424,1155 1.425,1156 1.893,1157 0.321,1158 3.651,1159 1.362,1160 3.963,1161 4.012,1162 3.899,1163 3.866,1164 7.437,1165 3.866,1166 3.891,1167 3.936,1168 3.83,1169 3.698,1170 4.964,1171 3.727,1172 3.518,1173 3.558,1174 3.437,1175 3.29,1176 4.891,1177 3.316,1178 3.322,1179 3.387,1180 3.176,1181 3.111,1182 4.818,1183 3.114,1184 2.883,1185 2.966,1186 2.752,1187 2.735,1188 4.311,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.653,1194 3.703,1195 2.675,1196 2.559,1197 2.666,1198 2.33,1199 2.32,1200 3.674,1201 2.305,1202 2.458,1203 2.561,1204 2.24,1205 2.142,1206 3.422,1207 2.149,1208 0.214,1209 0.187,1210 0.291,1211 0.193,1212 0.142,1213 4.06,1214 0.192,1215 3.559,1216 0.104,1217 5.534,1218 0.396,1219 3.674,1220 0.14,1221 2.691,1222 3.648,1223 1.969,1224 7.518,1225 2.655,1226 1.913,1227 1.89,1228 2.027,1229 2.016,1230 1.167,1231 2.019,1232 1.632,1233 1.566,1234 1.831,1235 1.87,1236 1.08,1237 1.861,1238 1.401,1239 1.361,1240 1.59,1241 1.67,1242 0.683,1243 1.643,1244 1.306,1245 1.24,1246 1.497,1247 1.527,1248 0.523,1249 1.519,1250 1.082,1251 1.013,1252 1.325,1253 1.373,1254 0.313,1255 1.366,1256 0.886,1257 0.821,1258 1.181,1259 1.114,1260 0.218,1261 1.14,1262 0.801,1263 0.725,1264 1.138,1265 1.062,1267 1.107,1268 0.423,1269 0.296,1270 0.864,1271 0.772,1273 0.8,1274 3.664,1276 4.905,1277 2.398,1278 6.308,1279 4.443,1280 7.786,1281 6.26,1282 9.306,1288 5.118,1290 1.587,1292 5.574,1300 20.655,1301 53.001,1302 121.304,1303 146.465,1304 150.465,1305 150.465,1306 150.465,1307 25.384,1308 5.932,1309 70.14,1310 70.14,1311 11,1312 11.48,1313 3.7,1314 2.907,1315 31.385,1316 62,1317 50,1318 0.246,1319 131.495,1320 221.68,1321 312.608,1322 2528,1324 12.795,1325 0.711,1326 0.553,1327 12.795,1328 9.951,1329 8.737,1330 0.46,1331 0.3,1332 5.594,1333 8.309,1334 5.487,1335 4.555,1336 8.737,1337 5.696,1338 7.598,1339 0.317,1340 0.164,1341 7.598,1342 3.936,1343 5.471,1344 0.203,1345 0.092,1346 5.471,1347 2.479,1348 4.417,1349 0.138,1350 0.05,1351 4.417,1352 1.593,1353 2.924,1354 0.091,1355 0.028,1356 2.924,1357 0.894,1358 0.398,1359 55.31,1360 0.28,1361 18.84,1362 0.636,1363 86,1364 286.074,1365 96.309,1366 272.358,1367 359.78,1368 254,1369 94,1370 251.866,1371 103.397,1372 253.929,1373 358.46,1374 237,1375 5.745} {0 CHEMBL416657,1 1.448,2 9.5,3 8.089,4 65.438,5 137.17,6 7.154,7 0.471,8 4.232,9 4.351,10 3.792,11 3.851,12 5.246,13 3.762,14 4.797,15 4.985,16 4.272,17 4.303,18 5.779,19 4.185,20 5.086,21 5.257,22 4.345,23 4.52,24 6.065,25 4.359,26 5.331,27 5.592,28 4.277,29 4.534,30 6.194,31 4.362,32 5.16,33 5.372,34 4.455,35 4.592,36 6.016,37 4.45,38 5.321,39 5.503,40 4.553,41 4.743,42 6.245,43 4.587,44 5.484,45 5.71,46 4.479,47 4.8,48 6.372,49 4.626,50 5.584,51 5.826,52 4.417,53 4.777,54 6.548,55 4.584,56 0.059,57 0.857,58 15.373,59 7.025,60 13.13,61 9.284,62 0.242,63 1.466,64 30.353,65 12.495,66 47.099,67 16.405,68 0.236,69 1.97,70 47.629,71 17.62,72 39.445,73 21.957,74 0.532,75 2.272,76 56.696,77 20.051,78 83.468,79 26.058,80 0.34,81 2.135,82 44.951,83 17.841,84 30.216,85 23.457,86 0.385,87 2.491,88 57.883,89 21.637,90 35.617,91 27.481,92 0.362,93 2.763,94 63.779,95 25.238,96 66.514,97 32.75,98 0.356,99 2.859,100 65.496,101 26.499,102 90.608,103 35.515,104 115,105 52,106 0.231,107 0.522,108 0.647,109 0.764,110 0.77,111 0.77,112 3.503,113 1.085,114 -7.22,115 -7.01,116 -6.48,118 40.9,119 7,120 1,121 1,122 1,124 1,129 1,140 7,141 3,142 2,150 2,154 1,163 1,167 1,168 14,169 1,172 5,175 1,177 1,180 25,181 3,186 9,191 3,194 15,198 5,199 1,206 17,209 1,210 4,213 1,218 26,219 2,222 5,227 2,229 35,230 3,234 3,239 3,242 37,243 7,247 7,252 7,255 29,256 3,259 3,264 3,267 20,268 2,270 1828,271 19.919,272 19.919,273 19.919,274 19.919,275 19.919,276 17.849,277 23.445,278 11.15,279 20.335,280 16.747,281 16.747,282 16.747,283 16.747,284 16.747,285 13.53,286 25.828,287 5.306,288 17.537,289 4.596,290 2.775,291 1.991,292 1.258,293 1.217,294 1.217,295 4.171,297 1,300 1,301 621,302 5,305 72.967,306 185.687,309 138.048,313 1.344,314 26.134,317 0.75,318 0.67,319 0.83,320 0.9,321 1,322 0.83,323 1,324 0.85,325 66.833,326 304,327 4.791,328 4.821,329 7.26,330 4.422,331 3.451,332 4.738,333 2.95,334 12.52,335 3.376,336 4.401,337 3.994,338 7.032,339 4.24,340 3.268,341 3.625,342 2.341,343 11.768,344 3.156,345 4.111,346 3.632,347 6.422,348 3.986,349 3.059,350 3.562,351 0.522,352 10.065,353 2.803,354 4.032,355 3.022,356 5.979,357 3.7,358 2.711,359 3.378,361 8.405,362 2.678,363 3.93,364 2.982,365 5.689,366 3.559,367 2.591,368 3.153,370 7.559,371 2.509,372 3.498,373 2.86,374 5.622,375 3.082,376 2.174,377 2.799,379 7,380 2.009,381 3.415,382 2.618,383 5.337,384 3.037,385 2.061,386 2.704,388 6.628,389 1.93,390 3.268,391 2.457,392 4.874,393 2.818,394 1.886,395 2.542,397 5.587,398 1.692,399 2.78,400 2.088,401 4.373,402 2.385,403 1.38,404 1.724,406 3.333,407 1.359,408 2.523,409 1.485,410 3.852,411 2.21,412 1.212,413 1.524,415 2.904,416 1.206,417 2.5,418 1.269,419 3.809,420 2,421 1,422 1.5,424 2.609,425 1,426 2.306,427 1.029,428 3.564,429 1.928,430 0.963,431 1.255,433 2.275,434 0.919,435 1.661,436 1,437 3.414,438 1.45,439 0.538,440 0.582,442 1.576,443 0.474,444 1.283,445 0.6,446 3.015,447 0.927,448 0.022,449 0.027,451 0.054,452 0.018,453 0.943,454 0.52,455 2.893,456 0.554,457 -0.357,458 -0.428,460 -0.989,461 -0.303,462 16.114,463 0.504,464 1.39,465 0.043,466 34.5,467 1.078,468 16,469 0.5,470 18.5,471 0.578,472 43.18,473 1.349,474 35.486,475 0.538,476 26.355,477 0.824,478 5.748,479 0.18,480 9.033,481 0.282,482 0.303,483 0.062,484 0.304,487 0.719,488 1.169,489 0.757,490 0.973,491 0.775,492 1.006,493 0.481,494 0.92,495 0.672,496 0.777,497 0.336,498 0.774,499 0.901,500 1.463,501 1.411,502 1.513,503 0.779,504 1.316,505 1.305,506 0.829,507 0.872,508 0.778,509 1.37,510 0.805,511 0.511,512 0.964,513 0.809,514 0.915,515 0.393,516 0.89,517 0.784,518 1.277,519 1.222,520 1.379,521 0.672,522 1.25,523 0.765,524 1.116,525 0.994,526 1.158,527 0.766,528 1.109,529 0.834,530 1.253,531 0.837,532 1.15,533 0.948,534 1.221,535 10.5,536 0.202,537 4.667,538 2.799,539 2.426,540 2.446,541 1.725,542 1.291,543 0.719,544 0.361,545 10753,546 27279,547 1.909,548 51.5,549 13,550 9,553 1,554 2,555 9,558 1.758,559 1.699,560 3.131,561 -0.434,567 95.574,568 1.448,569 3.269,570 4.053,571 4.786,572 4.828,573 4.828,574 2.627,575 4.289,576 4.967,577 3.342,578 1657.39,579 8.77,580 23451.3,585 398.93,586 1.823,587 4.859,588 0.309,589 0.011,590 0.09,591 0.054,592 0.048,593 0.039,594 0.027,595 0.02,596 0.014,597 0.011,598 0.621,599 0.33,600 0.75,601 1.407,602 163.056,603 -0.022,604 -0.017,605 0.038,606 0.046,607 -0.108,608 0.031,609 0.205,610 0.187,611 0.233,612 0.261,613 0.26,614 0.248,615 -0.062,616 -0.321,617 -0.238,618 -0.324,619 -0.028,620 -0.276,621 -0.135,622 0.168,623 0.038,624 0.184,625 -0.152,626 0.151,627 0.098,628 0.161,629 0.081,630 0.131,631 0.055,632 0.117,633 -0.02,634 -0.136,635 -0.185,636 -0.253,637 -0.018,638 -0.225,639 -0.04,640 -0.077,641 -0.111,642 -0.126,643 0.007,644 -0.104,645 0.019,646 -0.301,647 -0.078,648 -0.243,649 0.054,650 -0.243,651 2.449,652 5.057,653 0.469,654 30.117,655 0.988,656 1.119,657 5.994,658 35.927,659 0.672,660 3.555,661 3.97,662 4.159,663 4.431,664 4.787,665 4.99,666 5.231,667 5.342,668 5.357,669 5.407,670 5.99,671 0.612,672 472.14,673 3.555,674 5.153,675 5.999,676 6.919,677 7.803,678 8.729,679 9.634,680 10.564,681 11.481,682 12.415,683 1.5,691 1,698 2,699 7,704 5,705 1,706 16,723 1,724 66,726 17,727 2,728 34,730 68,731 27,733 14,734 5,735 7,739 3,740 4,741 1,745 7,746 1,751 1,753 15,754 12,755 2,756 1,761 1,765 1,772 34,773 2,774 1,775 5,776 2,779 1,784 0.667,785 2,797 1,801 1,802 2,805 1,818 1,830 1,832 2,833 1,834 1,836 7,837 1,840 32,845 1,846 2,849 1,850 1,852 2,861 1,862 3,864 1,865 1,869 18.833,870 14.043,871 6.667,872 4.036,874 3.069,875 1.404,876 0.912,877 7.314,878 10.67,879 3.784,880 4.44,881 4.984,882 5.604,883 6.23,884 6.64,885 7.136,886 7.559,887 7.814,888 8.105,889 1,890 52,891 11.896,893 5.025,894 7.66,895 23.109,897 19.324,899 2.16,900 69.111,904 388.446,905 184.776,906 1.899,907 39.149,908 67.828,910 32.22,911 152.557,912 495.423,913 1.899,914 61.776,915 4.64,916 66.334,917 68.738,918 15.895,919 4.901,920 420.666,921 39.149,922 388.446,923 154.456,924 67.828,925 71.368,927 282.506,928 173.768,931 68.316,932 86.14,933 39.149,934 32.22,935 388.446,936 69.727,937 223.925,940 388.446,941 56.666,942 130.009,944 106.977,945 388.446,946 69.727,947 223.925,949 0.612,950 0.323,951 0.151,952 0.103,953 25,954 14,955 0.118,956 8,957 1,958 1.133,959 3.864,960 305.764,961 0.133,962 15,963 147.245,964 1,968 25.046,969 9.345,970 5.869,971 2.355,972 67.828,973 14.59,978 5.423,979 2.307,980 42.683,981 682.099,982 43,987 12.057,991 -0.782,994 65.178,995 73.84,996 0.24,997 0.541,998 0.671,999 0.792,1000 0.799,1001 0.799,1002 5.088,1003 1.886,1004 6.094,1005 6.628,1006 4.654,1007 5.127,1008 3.315,1009 7.002,1010 4.568,1011 6.365,1012 1.38,1013 7.733,1014 5.587,1015 4.691,1016 5.239,1017 2.243,1018 8.333,1019 4.555,1020 7.728,1021 1.212,1022 9.48,1023 3.333,1024 6.431,1025 7.397,1026 5.243,1027 11.321,1028 6.272,1029 9.123,1030 1,1031 11.287,1032 2.904,1033 7.171,1034 8.237,1035 4.112,1036 13.375,1037 6.97,1038 10.544,1039 0.963,1040 13.131,1041 2.609,1042 8.531,1043 10.002,1044 7.313,1045 16.007,1046 8.307,1047 11.985,1048 0.538,1049 15,1050 2.275,1051 9.541,1052 11.194,1053 5.889,1054 18.333,1055 9.283,1056 13.442,1057 0.022,1058 16.887,1059 1.576,1060 10.784,1061 12.813,1062 9.427,1063 20.865,1064 10.503,1065 3.451,1066 -0.357,1067 18.789,1068 0.054,1069 11.905,1070 14.188,1071 7.625,1072 23.296,1073 11.594,1074 3.268,1075 12.52,1076 20.701,1077 -0.989,1078 13.113,1079 15.755,1080 11.56,1081 25.802,1082 12.78,1083 3.059,1084 11.768,1085 22.623,1086 4.738,1087 14.282,1088 17.224,1089 9.342,1090 28.275,1091 13.922,1092 2.711,1093 10.065,1094 24.552,1095 3.625,1096 15.484,1097 18.774,1098 13.706,1099 30.776,1100 15.102,1101 2.591,1102 8.405,1103 26.488,1104 3.562,1105 16.674,1106 20.288,1107 11.051,1108 33.268,1109 16.269,1110 2.174,1111 7.559,1112 28.429,1113 3.378,1114 17.878,1115 21.837,1116 15.858,1117 35.77,1118 17.452,1119 2.061,1120 7,1121 30.374,1122 3.153,1123 19.08,1124 23.372,1125 12.755,1126 38.271,1127 18.633,1128 10959,1129 17604,1130 20.69,1131 44.364,1132 53.586,1133 56.608,1134 54.924,1135 52.783,1136 52.635,1137 66.225,1138 11.625,1139 164.564,1140 50.253,1141 5.655,1142 6.821,1143 6.674,1144 5.547,1145 5.451,1146 7.738,1147 5.9,1148 19.974,1149 5.376,1150 23.272,1151 1.576,1152 1.665,1153 1.615,1154 1.552,1155 1.548,1156 1.948,1157 0.342,1158 4.84,1159 1.478,1160 4.175,1161 4.203,1162 4.22,1163 4.112,1164 7.474,1165 4.108,1166 3.888,1167 3.911,1168 3.983,1169 3.846,1170 6.351,1171 3.834,1172 3.78,1173 3.815,1174 3.786,1175 3.682,1176 4.958,1177 3.668,1178 3.683,1179 3.735,1180 3.683,1181 3.613,1182 4.866,1183 3.568,1184 3.622,1185 3.682,1186 3.529,1187 3.489,1188 4.377,1189 3.481,1190 3.281,1191 3.345,1192 3.348,1193 3.145,1194 4.305,1195 3.13,1196 3.109,1197 3.148,1198 3.119,1199 3.03,1200 4.241,1201 3.003,1202 3.032,1203 3.047,1204 2.953,1205 2.742,1206 4.143,1207 2.732,1208 0.141,1209 0.142,1210 0.214,1211 0.13,1212 0.102,1213 4.791,1214 0.139,1215 4.821,1216 0.087,1217 7.26,1218 0.368,1219 4.422,1220 0.099,1221 3.451,1222 4.738,1223 2.95,1224 12.52,1225 3.376,1226 1.984,1227 1.961,1228 2.084,1229 2.073,1230 1.298,1231 2.078,1232 1.908,1233 1.885,1234 2.018,1235 1.987,1236 1.291,1237 2.005,1238 1.8,1239 1.767,1240 1.965,1241 1.926,1242 1.159,1243 1.942,1244 1.696,1245 1.649,1246 1.922,1247 1.835,1248 1.153,1249 1.882,1250 1.558,1251 1.497,1252 1.796,1253 1.733,1254 0.963,1255 1.757,1256 1.433,1257 1.388,1258 1.597,1259 1.595,1260 0.808,1261 1.608,1262 1.094,1263 1.048,1264 1.417,1265 1.277,1266 0.553,1267 1.308,1268 0.934,1269 0.821,1270 1.417,1271 1.241,1272 0.469,1273 1.308,1274 4.234,1276 5.624,1277 2.398,1278 7.179,1279 4.949,1280 8.808,1281 7.222,1282 10.481,1284 14.651,1285 6.111,1289 9.898,1290 1.129,1293 1.829,1294 0.422,1296 -0.879,1300 40.421,1301 95.574,1302 215.764,1303 267.53,1304 315.871,1305 318.626,1306 318.626,1307 80.755,1308 7.601,1309 42.23,1310 67.53,1311 17,1312 12.918,1313 4.17,1314 3.322,1315 60.253,1316 110,1317 138,1318 0.266,1319 258.415,1320 447.06,1321 622.292,1322 17525,1323 1.5,1324 23.845,1325 0.745,1326 0.678,1327 24.698,1328 21.694,1329 14.782,1330 0.435,1331 0.362,1332 11.149,1333 13.738,1334 10.356,1335 8.763,1336 15.451,1337 12.296,1338 15.61,1339 0.3,1340 0.246,1341 16.887,1342 12.774,1343 11.052,1344 0.175,1345 0.114,1346 12.067,1347 7.185,1348 8.3,1349 0.1,1350 0.062,1351 9.236,1352 5.108,1353 7.661,1354 0.064,1355 0.037,1356 8.815,1357 4.413,1358 0.397,1359 97.366,1360 0.22,1361 28.896,1362 0.801,1363 172,1364 402.594,1365 223.659,1366 452.072,1367 606.75,1368 418,1369 201,1370 408.793,1371 240.401,1372 450.931,1373 655.2,1374 419,1375 5.699} {0 CHEMBL416947,1 1.652,2 13.229,3 5.452,4 29.719,5 138.673,6 8.243,7 0.474,8 4.212,9 4.304,10 3.976,11 3.853,12 5.297,13 3.797,14 4.755,15 4.893,16 4.284,17 4.257,18 6.044,19 4.174,20 5.062,21 5.249,22 4.347,23 4.432,24 6.115,25 4.309,26 5.143,27 5.347,28 4.282,29 4.425,30 6.211,31 4.293,32 5.127,33 5.332,34 4.303,35 4.414,36 6.187,37 4.29,38 5.122,39 5.329,40 4.322,41 4.432,42 6.197,43 4.307,44 5.172,45 5.41,46 4.217,47 4.444,48 6.09,49 4.299,50 5.166,51 5.407,52 4.233,53 4.381,54 6.154,55 4.244,56 0.107,57 0.838,58 13.86,59 6.255,60 22.949,61 7.308,62 0.404,63 1.382,64 23.431,65 10.717,66 80.608,67 13.224,68 0.385,69 1.821,70 39.966,71 15.449,72 77.555,73 18.599,74 0.515,75 1.953,76 46.923,77 16.921,78 98.239,79 20.055,80 0.521,81 1.884,82 43.621,83 16.164,84 104.303,85 19.562,86 0.528,87 1.883,88 40.127,89 15.916,90 93.319,91 20.425,92 0.331,93 1.996,94 42.586,95 17.224,96 66.903,97 22.849,98 0.376,99 1.955,100 43.878,101 16.734,102 74.978,103 21.874,104 31,105 53,106 0.263,107 0.601,108 0.781,109 0.879,110 0.891,111 0.891,112 3.588,113 1.055,114 -4.91,115 -4.82,116 -4.52,118 43.5,120 6,126 1,133 2,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 19,169 1,171 1,172 3,175 3,177 3,180 26,181 1,186 7,191 5,194 28,195 1,198 10,203 5,206 22,207 1,210 7,215 3,218 24,219 1,222 10,227 4,229 24,230 2,234 9,239 4,242 18,243 4,247 11,252 6,255 14,256 4,259 9,264 6,267 11,268 1,270 2491,271 23.316,272 23.316,273 23.316,274 23.316,275 23.316,276 20.385,277 22.791,278 13.913,279 23.695,280 18.797,281 18.797,282 18.797,283 18.797,284 18.797,285 14.361,286 20.934,287 6.675,288 19.475,289 4.303,290 2.179,291 1.044,292 0.432,293 0.355,294 0.355,295 4.282,297 1,300 1,301 984,302 4.359,306 437.514,310 167.821,313 2.178,314 44.322,317 0.75,318 0.83,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.75,325 75.333,326 463,327 4.852,328 4.686,329 7.308,330 4.315,331 3.394,332 4.7,333 2.341,334 12.509,335 3.167,336 4.505,337 3.597,338 6.708,339 4.15,340 3.153,341 4.199,342 0.68,343 10.909,344 3.073,345 3.931,346 3.339,347 5.813,348 3.611,349 2.62,350 3.457,352 8.096,353 2.596,354 3.84,355 2.913,356 5.392,357 3.396,358 2.435,359 3.395,361 7.014,362 2.358,363 3.673,364 2.893,365 5.247,366 3.29,367 2.35,368 2.995,370 6.448,371 2.217,372 3.552,373 2.547,374 5.064,375 3.233,376 2.229,377 2.718,379 6.067,380 2.155,381 3.216,382 2.218,383 4.727,384 2.975,385 2.003,386 2.43,388 5.187,389 1.927,390 3.206,391 2.026,392 4.658,393 2.807,394 1.81,395 2.348,397 4.947,398 1.804,399 3.022,400 1.883,401 4.598,402 2.51,403 1.561,404 2.135,406 4.542,407 1.464,408 2.873,409 1.707,410 3.921,411 2.465,412 1.471,413 2.017,415 3.324,416 1.41,417 2.844,418 1.519,419 3.588,420 2.377,421 1.404,422 1.855,424 3.013,425 1.362,426 2.5,427 1.217,428 3.414,429 2,430 1,431 1.5,433 2.289,434 1,435 2.5,436 1,437 3.405,438 1.965,439 1,440 1.5,442 2.275,443 0.963,444 2.07,445 1,446 3.247,447 1.956,448 0.966,449 1.035,451 2.136,452 0.953,453 1.82,454 0.828,455 3.226,456 1.524,457 0.524,458 0.639,460 1.238,461 0.522,462 17.181,463 0.491,464 0.943,465 0.027,466 45,467 1.286,468 24,469 0.686,470 21,471 0.6,472 32.936,473 0.941,474 37.419,475 0.604,476 36.679,477 1.048,478 8.575,479 0.245,480 8.239,481 0.235,482 0.119,483 0.049,484 0.262,487 0.568,488 1.139,489 0.723,490 1.066,491 0.664,492 0.897,493 0.461,494 1.092,495 0.785,496 0.99,497 0.442,498 1.011,499 0.889,500 1.072,501 1.048,502 1.068,503 0.834,504 1.056,505 1.019,506 1.048,507 1.125,508 1.12,509 0.999,510 1.06,511 0.998,512 0.996,513 0.791,514 0.928,515 1.134,516 1.004,517 0.583,518 1.047,519 0.757,520 1.003,521 0.64,522 1.065,523 0.499,524 1.019,525 0.71,526 0.952,527 0.486,528 1.015,529 0.674,530 1.027,531 0.742,532 0.945,533 0.644,534 0.984,535 8,536 0.289,537 4,538 2.375,539 2.071,540 1.111,541 0.788,542 0.641,543 0.533,544 0.372,545 18088,546 57885,547 2.051,548 43.5,549 6,550 11,552 2,553 2,554 2,555 4,558 1.771,559 1.918,560 3.679,561 0.162,567 102.396,568 1.652,569 3.775,570 4.91,571 5.523,572 5.599,573 5.599,574 3.144,575 4.672,576 5.093,577 3.88,578 2308.81,579 8.968,580 36749,585 369.16,586 1.513,587 5.053,588 0.211,589 0.008,590 0.075,591 0.044,592 0.041,593 0.022,594 0.015,595 0.013,596 0.011,597 0.009,598 0.449,599 0.17,600 0.88,601 1.28,602 190.076,603 0.04,604 -0.013,605 0.123,606 -0.003,607 -0.099,608 0.053,609 0.255,610 -0.02,611 0.01,612 -0.023,613 0.258,614 -0.065,615 -0.095,616 -0.047,617 -0.087,618 -0.045,619 -0.057,620 -0.067,621 -0.123,622 -0.029,623 -0.138,624 -0.074,625 -0.07,626 -0.066,627 -0.105,628 -0.015,629 0.008,630 0.03,631 -0.128,632 -0.024,633 0.111,634 -0.076,635 0.038,636 -0.075,637 0.068,638 -0.069,639 0.052,640 -0.062,641 0.058,642 -0.023,643 0.048,644 0.007,645 0.035,646 -0.067,647 0.086,648 -0.02,649 0.031,650 0.026,651 4.566,652 5.858,653 0.629,654 45.776,655 1.006,656 1.114,657 3.683,658 13.566,659 0.697,660 3.664,661 3.989,662 4.205,663 4.454,664 4.71,665 4.804,666 4.956,667 5.142,668 5.283,669 5.347,670 7.939,671 0.657,672 511.08,673 3.664,674 5.209,675 6.043,676 6.921,677 7.777,678 8.663,679 9.531,680 10.423,681 11.299,682 12.194,683 3.2,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 62,726 22,727 2,728 38,730 65,731 27,733 17,734 6,735 6,736 2,739 4,740 5,741 1,748 4,751 7,753 20,754 7,756 4,760 1,761 3,763 2,765 1,772 27,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,822 2,830 1,832 3,834 1,837 1,840 35,844 1,845 1,846 6,847 1,850 1,861 1,862 6.5,864 1,865 3,869 18.25,870 10.793,871 7.625,872 3.712,874 3.092,875 1.385,876 0.975,877 8.147,878 11.113,879 3.951,880 4.549,881 5.016,882 5.539,883 6.063,884 6.254,885 6.565,886 6.893,887 7.255,888 7.539,889 0.889,890 54,891 13.223,893 5.913,894 7.934,895 24.737,897 20.831,899 2.434,900 85.194,904 294.278,905 155.761,906 33.191,907 39.149,908 112.141,910 5.807,911 149.954,912 445.567,913 33.191,915 15.207,916 116.975,917 153.379,918 39.074,920 270.735,921 39.149,922 294.278,923 183.144,924 112.141,925 44.956,927 247.193,928 159.226,931 49.707,932 97.699,933 80.694,935 294.278,936 145.332,937 194.91,939 5.807,940 294.278,941 37.096,942 112.857,943 16.405,944 168.075,945 294.278,946 145.332,947 194.91,949 0.581,950 0.319,951 0.165,952 0.094,953 24,954 11,955 0.138,956 9,957 1,958 1.091,959 4.53,960 325.938,961 0.091,962 22,963 171.525,967 1,968 25.28,969 11.28,970 6.652,972 145.332,973 17.848,974 4.211,978 6.312,980 59.088,981 634.519,982 51,986 -3.649,987 36.634,989 3.928,991 -0.823,994 62.4,995 69.096,996 0.277,997 0.634,998 0.825,999 0.928,1000 0.94,1001 0.94,1002 5.19,1003 1.81,1004 6.047,1005 5.187,1006 4.673,1007 5.236,1008 2.35,1009 6.87,1010 4.607,1011 6.415,1012 1.561,1013 7.617,1014 4.947,1015 4.369,1016 5.223,1017 2.243,1018 8.003,1019 4.21,1020 7.747,1021 1.471,1022 9.302,1023 4.542,1024 6.312,1025 7.486,1026 3.64,1027 11.047,1028 6.168,1029 9.12,1030 1.404,1031 11.061,1032 3.324,1033 6.825,1034 8.306,1035 4.112,1036 13.051,1037 6.578,1038 10.53,1039 1,1040 12.871,1041 3.013,1042 8.282,1043 10.1,1044 5.203,1045 15.698,1046 8.038,1047 11.969,1048 1,1049 14.718,1050 2.289,1051 9.173,1052 11.299,1053 5.889,1054 18.023,1055 8.83,1056 13.432,1057 0.966,1058 16.594,1059 2.275,1060 10.452,1061 12.923,1062 6.849,1063 20.563,1064 10.09,1065 3.394,1066 0.524,1067 18.491,1068 2.136,1069 11.516,1070 14.298,1071 7.625,1072 23.002,1073 11.067,1074 3.153,1075 12.509,1076 20.405,1077 1.238,1078 12.734,1079 15.858,1080 8.526,1081 25.514,1082 12.246,1083 2.62,1084 10.909,1085 22.332,1086 4.7,1087 13.875,1088 17.315,1089 9.342,1090 27.995,1091 13.309,1092 2.435,1093 8.096,1094 24.269,1095 4.199,1096 15.076,1097 18.852,1098 10.216,1099 30.503,1100 14.459,1101 2.35,1102 7.014,1103 26.214,1104 3.457,1105 16.251,1106 20.348,1107 11.051,1108 33.002,1109 15.562,1110 2.229,1111 6.448,1112 28.166,1113 3.395,1114 17.449,1115 21.88,1116 11.912,1117 35.511,1118 16.702,1119 2.003,1120 6.067,1121 30.123,1122 2.995,1123 18.64,1124 23.395,1125 12.755,1126 38.018,1127 17.825,1128 17452,1129 31415,1130 25.137,1131 43.233,1132 56.867,1133 58.428,1134 57.537,1135 56.54,1136 56.247,1137 74.33,1138 6.042,1139 160.984,1140 54.341,1141 5.799,1142 6.686,1143 7.11,1144 5.37,1145 5.394,1146 7.7,1147 3.925,1148 19.874,1149 5.167,1150 18.327,1151 1.496,1152 1.538,1153 1.514,1154 1.488,1155 1.48,1156 1.956,1157 0.159,1158 4.236,1159 1.43,1160 4.115,1161 4.122,1162 4.737,1163 4.087,1164 7.717,1165 4.035,1166 4.009,1167 4.004,1168 3.996,1169 3.984,1170 7.474,1171 3.941,1172 3.848,1173 3.89,1174 3.925,1175 3.755,1176 6.999,1177 3.756,1178 3.713,1179 3.752,1180 3.778,1181 3.607,1182 6.351,1183 3.583,1184 3.642,1185 3.657,1186 3.587,1187 3.54,1188 4.933,1189 3.504,1190 3.48,1191 3.488,1192 3.421,1193 3.384,1194 4.901,1195 3.347,1196 3.312,1197 3.339,1198 3.215,1199 3.142,1200 4.713,1201 3.151,1202 3.127,1203 3.195,1204 3.157,1205 2.992,1206 4.29,1207 2.98,1208 0.128,1209 0.123,1210 0.192,1211 0.114,1212 0.089,1213 4.852,1214 0.124,1215 4.686,1216 0.062,1217 7.308,1218 0.329,1219 4.315,1220 0.083,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.167,1226 2.047,1227 2.027,1228 2.148,1229 2.12,1230 1.464,1231 2.139,1232 1.947,1233 1.954,1234 1.973,1235 2.008,1236 1.203,1237 2.043,1238 1.833,1239 1.796,1240 1.948,1241 1.949,1242 1.137,1243 1.958,1244 1.694,1245 1.651,1246 1.9,1247 1.855,1248 1.12,1249 1.869,1250 1.571,1251 1.544,1252 1.738,1253 1.724,1254 0.902,1255 1.74,1256 1.373,1257 1.39,1258 1.5,1259 1.52,1260 0.773,1261 1.566,1262 1.262,1263 1.227,1264 1.412,1265 1.47,1266 0.592,1267 1.465,1268 1.139,1269 1.079,1270 1.36,1271 1.333,1272 0.527,1273 1.367,1274 4.344,1276 5.666,1278 7.18,1280 8.785,1282 10.442,1285 5.896,1289 8.967,1290 3.235,1291 2.848,1294 -0.212,1300 40.765,1301 102.396,1302 234.035,1303 304.405,1304 342.405,1305 347.16,1306 347.16,1307 87.907,1308 8.021,1309 96.36,1310 104.74,1311 24,1312 12.724,1313 4.524,1314 3.807,1315 59.305,1316 163,1317 180,1318 0.174,1319 257.026,1320 455.36,1321 618.904,1322 34766,1323 1.6,1324 24.838,1325 0.71,1326 0.592,1327 25.588,1328 20.726,1329 16.815,1330 0.442,1331 0.352,1332 11.573,1333 15.346,1334 11.162,1335 9.203,1336 17.924,1337 13.365,1338 15.672,1339 0.296,1340 0.204,1341 17.381,1342 10.814,1343 12.079,1344 0.183,1345 0.12,1346 13.472,1347 7.914,1348 9.936,1349 0.117,1350 0.068,1351 11.125,1352 5.822,1353 8.178,1354 0.074,1355 0.041,1356 9.287,1357 4.473,1358 0.274,1359 115.309,1360 0.199,1361 32.378,1362 0.473,1363 182,1364 538.398,1365 246.244,1366 575.02,1367 756.63,1368 528,1369 210,1370 488.464,1371 274.977,1372 543.698,1373 783.9,1374 510,1375 5.854} {0 CHEMBL417163,1 1.426,2 15.5,3 5.69,4 32.381,5 159.666,6 7.237,7 0.4,8 4.443,9 4.542,10 3.961,11 3.985,12 5.583,13 3.96,14 4.976,15 5.118,16 4.288,17 4.371,18 6.148,19 4.313,20 5.298,21 5.498,22 4.377,23 4.532,24 6.285,25 4.45,26 5.403,27 5.603,28 4.428,29 4.562,30 6.511,31 4.481,32 5.417,33 5.62,34 4.444,35 4.636,36 6.4,37 4.545,38 5.534,39 5.754,40 4.434,41 4.684,42 6.543,43 4.573,44 5.532,45 5.776,46 4.371,47 4.646,48 6.477,49 4.522,50 5.467,51 5.699,52 4.399,53 4.563,54 6.578,55 4.465,56 0.081,57 1.005,58 16.569,59 8.04,60 23.698,61 9.84,62 0.492,63 1.637,64 30.396,65 13.246,66 85.99,67 16.878,68 0.453,69 2.137,70 44.994,71 17.822,72 93.547,73 23.319,74 1.233,75 2.273,76 52.178,77 18.879,78 154.615,79 24.48,80 0.587,81 2.401,82 51.108,83 19.936,84 104.417,85 26.108,86 0.88,87 2.656,88 59.053,89 21.864,90 147.745,91 29.054,92 0.721,93 2.634,94 59.72,95 22.062,96 125.03,97 30.014,98 0.847,99 2.42,100 56.114,101 20.321,102 160.545,103 27.256,104 35,105 59,106 0.217,107 0.552,108 0.755,109 0.886,110 0.917,111 0.917,112 3.765,113 0.949,114 -4.68,115 -4.6,116 -4.32,118 43,120 6,121 2,124 1,126 1,127 1,133 3,134 1,140 11,141 3,142 1,143 2,154 2,163 2,167 2,168 24,169 2,171 1,172 9,175 2,177 4,180 26,181 2,186 9,187 2,191 4,194 24,195 2,197 2,198 11,201 3,203 4,206 24,207 2,210 11,215 3,218 25,219 4,222 13,225 1,227 6,229 24,230 4,234 11,239 6,240 1,242 22,243 5,247 10,248 2,250 1,251 1,252 7,255 18,256 6,258 2,259 12,260 1,262 2,264 8,267 15,268 5,270 4168,271 28.553,272 28.553,273 28.553,274 28.553,275 28.553,276 25.464,277 20.539,278 17.598,279 28.749,280 22.259,281 22.259,282 22.259,283 22.259,284 22.259,285 17.878,286 18.458,287 8.371,288 22.597,289 4.878,290 2.676,291 1.341,292 0.486,293 0.278,294 0.278,295 4.459,300 1,301 1375,302 4.95,306 666.922,313 2.571,314 54.882,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 91.5,326 651,327 4.369,328 3.798,329 6.689,330 4.121,331 3.149,332 3.943,333 2.341,334 10.813,335 3.057,336 4.33,337 3.597,338 6.498,339 4.005,340 3.006,341 3.853,342 2.341,343 10.173,344 3.001,345 4.031,346 3.483,347 6.376,348 3.875,349 2.88,350 3.298,351 1.465,352 9.638,353 2.859,354 3.736,355 3.024,356 5.674,357 3.43,358 2.454,359 3.163,360 0.811,361 7.428,362 2.389,363 3.646,364 2.963,365 5.247,366 3.27,367 2.278,368 2.771,370 6.4,371 2.259,372 3.555,373 2.535,374 4.882,375 3.238,376 2.233,377 2.713,379 5.225,380 2.219,381 3.278,382 2.278,383 4.659,384 2.884,385 1.889,386 2.58,388 5.177,389 1.864,390 3.166,391 2.16,392 4.538,393 2.791,394 1.802,395 2.227,397 4.406,398 1.781,399 3.03,400 2.008,401 4.223,402 2.66,403 1.683,404 2.096,406 4.056,407 1.639,408 2.867,409 1.937,410 3.839,411 2.547,412 1.554,413 2.007,415 3.291,416 1.539,417 2.8,418 1.71,419 3.783,420 2.466,421 1.482,422 1.908,424 3.18,425 1.452,426 2.781,427 1.537,428 3.633,429 2.391,430 1.414,431 1.842,433 3.032,434 1.374,435 2.735,436 1.509,437 3.574,438 2.3,439 1.317,440 1.754,442 2.88,443 1.293,444 2.5,445 1.375,446 3.555,447 2.041,448 1.046,449 1.5,451 2.551,452 1.034,453 2.5,454 1.317,455 3.477,456 2,457 1,458 1.5,460 2.453,461 1,462 19.733,463 0.47,464 0.822,465 0.02,466 49.25,467 1.173,468 24,469 0.571,470 25.25,471 0.601,472 43.853,473 1.044,474 46.267,475 0.586,476 44.577,477 1.061,478 9.888,479 0.235,480 10.547,481 0.251,482 0.084,484 0.279,487 0.833,488 1.124,489 0.841,490 1.071,491 0.782,492 0.977,493 0.707,494 1.158,495 0.978,496 1.158,497 0.488,498 1.125,499 0.953,500 1.072,501 0.965,502 1.071,503 0.855,504 1.03,505 1.102,506 0.918,507 1.045,508 0.928,509 0.91,510 0.97,511 1.012,512 1.065,513 1.032,514 1.061,515 0.81,516 1.053,517 1.048,518 1.028,519 1.099,520 1.035,521 0.981,522 1.069,523 0.913,524 0.986,525 0.987,526 0.998,527 0.825,528 1.004,529 0.963,530 0.982,531 0.934,532 0.994,533 0.964,534 0.964,535 6,536 0.306,537 4.222,538 2.688,539 1.698,540 1.132,541 0.887,542 0.707,543 0.645,544 0.402,545 30253,546 85198,547 2.048,548 46.8,549 10,550 17,551 1,552 2,553 3,554 3,556 1,558 1.815,559 1.938,560 3.861,561 0.677,567 112.624,568 1.426,569 3.628,570 4.963,571 5.818,572 6.025,573 6.025,574 3.376,575 4.708,576 5.361,577 4.113,578 3541.39,579 9.5,580 65885.6,585 497.999,586 1.3,587 5.333,588 0.133,589 0.005,590 0.072,591 0.043,592 0.027,593 0.017,594 0.014,595 0.012,596 0.011,597 0.007,598 0.339,599 0.17,600 0.75,601 1.345,602 242.676,603 -0.068,604 0.015,605 0.014,606 0.041,607 -0.079,608 0.042,609 0.139,610 -0.074,611 -0.075,612 -0.096,613 0.152,614 -0.12,615 -0.06,616 -0.066,617 -0.009,618 -0.054,619 -0.071,620 -0.027,621 0.072,622 0.061,623 -0.037,624 0.057,625 0.017,627 -0.095,628 -0.062,629 -0.07,630 -0.05,631 -0.067,632 -0.055,633 -0.085,634 -0.039,635 -0.116,636 -0.048,637 -0.088,638 -0.081,639 -0.057,640 -0.016,641 -0.004,642 -0.017,643 -0.043,644 -0.002,645 0.035,646 -0.021,647 0.068,648 -0.018,649 0.055,650 0.025,651 2.664,652 5.368,653 0.571,654 58.345,655 1.004,656 1.119,657 3.449,658 11.893,659 0.657,660 3.829,661 4.094,662 4.331,663 4.564,664 4.771,665 4.796,666 4.942,667 5.037,668 5.05,669 5.056,670 9.281,671 0.627,672 571.72,673 3.829,674 5.342,675 6.168,676 7.02,677 7.868,678 8.731,679 9.59,680 10.459,681 11.325,682 12.197,683 1.3,693 1,699 13,700 1,704 4,706 18,721 1,724 79,726 22,727 2,728 45,730 82,731 34,733 17,734 3,735 9,736 2,739 4,740 4,748 1,749 1,751 7,753 23,754 11,755 2,756 4,761 2,763 3,765 3,772 37,773 8,774 3,775 8,779 1,784 1,785 7,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 42,845 3,846 7,848 2,850 4,862 8.9,864 3,865 2,866 2,869 21.667,870 13.383,871 9.528,872 4.763,874 2.455,875 1.312,876 0.914,877 11.894,878 10.333,879 4.078,880 4.559,881 5.012,882 5.485,883 5.946,884 5.968,885 6.309,886 6.561,887 6.741,888 6.899,889 1,890 63,891 15.686,893 6.716,894 7.917,895 29.543,897 24.137,899 2.417,900 101.5,904 400.217,905 185.483,906 16.786,908 200.34,911 185.483,912 600.557,913 16.786,915 19.8,916 133.027,917 242.487,918 30.837,919 11.771,920 364.904,922 400.217,923 202.269,924 200.34,927 388.446,928 190.111,929 22,930 0.36,931 37.894,932 118.801,933 45.214,935 400.217,936 217.125,937 185.483,940 400.577,941 34.362,942 150.762,944 217.125,945 400.217,946 217.125,947 185.483,949 0.563,950 0.319,951 0.176,952 0.096,953 23,954 11,955 0.171,956 14,958 1,959 5.102,960 405.909,962 24,963 222.477,968 31.176,969 16.023,970 9.116,972 217.125,973 24.343,974 4.254,978 2.702,980 128.05,981 802.826,982 58,987 23.164,989 5.817,991 -0.815,994 79.298,995 88.438,996 0.226,997 0.576,998 0.787,999 0.923,1000 0.956,1001 0.956,1002 5.291,1003 1.802,1004 6.116,1005 5.177,1006 4.779,1007 5.247,1008 3.167,1009 6.882,1010 4.747,1011 6.445,1012 1.683,1013 7.643,1014 4.406,1015 4.205,1016 4.745,1017 2.882,1018 7.753,1019 4.161,1020 7.708,1021 1.554,1022 9.282,1023 4.056,1024 6.312,1025 7.25,1026 4.435,1027 10.873,1028 6.253,1029 9.004,1030 1.482,1031 10.992,1032 3.291,1033 6.621,1034 7.584,1035 4.797,1036 12.647,1037 6.548,1038 10.334,1039 1.414,1040 12.749,1041 3.18,1042 8.153,1043 9.55,1044 5.946,1045 15.265,1046 8.064,1047 11.688,1048 1.317,1049 14.539,1050 3.032,1051 8.887,1052 10.311,1053 6.581,1054 17.381,1055 8.781,1056 13.063,1057 1.046,1058 16.352,1059 2.88,1060 10.175,1061 12.018,1062 7.564,1063 19.827,1064 10.053,1065 3.149,1066 1,1067 18.181,1068 2.551,1069 11.114,1070 13.021,1071 8.318,1072 22.079,1073 10.974,1074 3.006,1075 10.813,1076 20.022,1077 2.453,1078 12.298,1079 14.583,1080 9.228,1081 24.464,1082 12.142,1083 2.88,1084 10.173,1085 21.872,1086 3.943,1087 13.335,1088 15.728,1089 10.035,1090 26.771,1091 13.158,1092 2.454,1093 9.638,1094 23.728,1095 3.853,1096 14.477,1097 17.207,1098 10.912,1099 29.134,1100 14.282,1101 2.278,1102 7.428,1103 25.59,1104 3.298,1105 15.559,1106 18.439,1107 11.744,1108 31.467,1109 15.343,1110 2.233,1111 6.4,1112 27.455,1113 3.163,1114 16.686,1115 19.869,1116 12.606,1117 33.824,1118 16.451,1119 1.889,1120 5.225,1121 29.324,1122 2.771,1123 17.789,1124 21.152,1125 13.448,1126 36.168,1127 17.533,1128 29234,1129 49192,1130 30.107,1131 51.892,1132 66.49,1133 67.076,1134 67.231,1135 65.462,1136 65.405,1137 82.667,1138 13.916,1139 176.862,1140 64.25,1141 5.369,1142 5.798,1143 6.491,1144 5.194,1145 5.149,1146 6.943,1147 3.925,1148 17.896,1149 5.057,1150 20.627,1151 1.478,1152 1.491,1153 1.494,1154 1.455,1155 1.453,1156 1.837,1157 0.309,1158 3.93,1159 1.428,1160 4.025,1161 4.051,1162 3.96,1163 3.954,1164 7.476,1165 3.951,1166 3.958,1167 3.981,1168 3.9,1169 3.881,1170 7.471,1171 3.881,1172 3.799,1173 3.83,1174 3.717,1175 3.706,1176 6.469,1177 3.703,1178 3.787,1179 3.825,1180 3.711,1181 3.678,1182 6.352,1183 3.677,1184 3.744,1185 3.786,1186 3.633,1187 3.62,1188 6.35,1189 3.616,1190 3.614,1191 3.654,1192 3.498,1193 3.456,1194 4.927,1195 3.457,1196 3.482,1197 3.518,1198 3.374,1199 3.335,1200 4.805,1201 3.337,1202 3.33,1203 3.351,1204 3.238,1205 3.122,1206 4.739,1207 3.139,1208 0.097,1209 0.084,1210 0.149,1211 0.092,1212 0.07,1213 4.369,1214 0.088,1215 3.798,1216 0.052,1217 6.689,1218 0.24,1219 4.121,1220 0.068,1221 3.149,1222 3.943,1223 2.341,1224 10.813,1225 3.057,1226 1.975,1227 1.951,1228 2.084,1229 2.064,1230 1.384,1231 2.068,1232 1.935,1233 1.914,1234 2.058,1235 2.045,1236 1.329,1237 2.051,1238 1.787,1239 1.752,1240 1.956,1241 1.919,1242 1.162,1243 1.929,1244 1.773,1245 1.737,1246 1.948,1247 1.894,1248 1.139,1249 1.912,1250 1.737,1251 1.694,1252 1.904,1253 1.89,1254 1.015,1255 1.899,1256 1.585,1257 1.542,1258 1.804,1259 1.776,1260 0.955,1261 1.785,1262 1.449,1263 1.41,1264 1.652,1265 1.64,1266 0.889,1267 1.641,1268 1.255,1269 1.221,1270 1.488,1271 1.498,1272 0.653,1273 1.483,1274 4.511,1276 5.79,1278 7.265,1280 8.834,1282 10.456,1289 29.55,1290 2.842,1292 12.268,1294 -2.625,1300 49.507,1301 112.624,1302 286.622,1303 392.071,1304 459.634,1305 475.999,1306 475.999,1307 123.872,1308 7.878,1309 126.18,1310 126.18,1311 24,1312 12.74,1313 4.524,1314 3.807,1315 78.905,1316 231,1317 258,1318 0.159,1319 304.048,1320 552.83,1321 733.638,1322 29977,1324 29.736,1325 0.708,1326 0.558,1327 29.736,1328 23.419,1329 20.436,1330 0.454,1331 0.316,1332 14.084,1333 19.771,1334 13.842,1335 11.441,1336 20.436,1337 14.242,1338 17.607,1339 0.298,1340 0.175,1341 17.607,1342 10.318,1343 13.97,1344 0.186,1345 0.098,1346 13.97,1347 7.328,1348 11.545,1349 0.122,1350 0.054,1351 11.545,1352 5.157,1353 9.288,1354 0.079,1355 0.031,1356 9.288,1357 3.618,1358 0.255,1359 127.725,1360 0.182,1361 37.702,1362 0.425,1363 208,1364 639.036,1365 228.319,1366 606.059,1367 799.27,1368 564,1369 238,1370 552.476,1371 256.442,1372 556.211,1373 808.4,1374 524,1375 7.398} {0 CHEMBL417297,1 1.682,2 12.394,3 4.984,4 24.837,5 128.354,6 8.363,7 0.5,8 4.152,9 4.242,10 3.935,11 3.792,12 5.235,13 3.738,14 4.704,15 4.84,16 4.251,17 4.206,18 6.006,19 4.126,20 5.014,21 5.195,22 4.305,23 4.384,24 6.073,25 4.26,26 5.108,27 5.316,28 4.234,29 4.371,30 6.157,31 4.237,32 5.081,33 5.283,34 4.268,35 4.353,36 6.148,37 4.231,38 5.109,39 5.33,40 4.301,41 4.346,42 6.206,43 4.233,44 5.09,45 5.314,46 4.206,47 4.32,48 6.113,49 4.198,50 5.07,51 5.291,52 4.154,53 4.254,54 6.149,55 4.128,56 0.113,57 0.795,58 12.889,59 5.874,60 23.309,61 6.758,62 0.415,63 1.317,64 21.978,65 10.142,66 80.479,67 12.397,68 0.403,69 1.736,70 37.664,71 14.675,72 76.692,73 17.445,74 0.559,75 1.876,76 46.123,77 16.368,78 101.189,79 19.294,80 0.509,81 1.795,82 41.403,83 15.401,84 100.99,85 18.473,86 0.609,87 1.815,88 41.734,89 15.614,90 106.429,91 19.859,92 0.445,93 1.805,94 39.018,95 15.181,96 84.562,97 19.277,98 0.632,99 1.754,100 44.864,101 15.267,102 117.948,103 17.972,104 29,105 51,106 0.272,107 0.587,108 0.768,109 0.874,110 0.88,111 0.885,112 3.532,113 1.057,114 -4.58,115 -4.51,116 -4.24,118 43.1,120 6,126 1,140 8,141 5,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 1,172 3,175 3,177 3,180 24,181 1,186 7,191 5,194 25,195 1,198 10,203 5,206 18,207 2,210 8,215 4,218 17,219 3,222 11,227 7,229 16,230 4,234 11,239 6,242 14,243 1,247 9,252 2,253 1,255 13,256 1,259 6,260 1,262 2,263 1,264 2,267 13,268 1,270 2082,271 21.85,272 21.85,273 21.85,274 21.85,275 21.85,276 19.128,277 22.436,278 12.918,279 22.228,280 17.82,281 17.82,282 17.82,283 17.82,284 17.82,285 13.654,286 23.14,287 6.234,288 18.498,289 4.176,290 2.223,291 1.103,292 0.448,293 0.414,294 0.379,295 4.225,297 1,300 1,301 874,302 4.123,306 407.802,310 154.617,313 1.86,314 45.151,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 71.333,326 409,327 4.852,328 4.686,329 7.308,330 4.314,331 3.394,332 4.7,333 2.341,334 12.509,335 3.132,336 4.442,337 3.602,338 6.55,339 4.097,340 3.1,341 4.117,342 0.68,343 10.406,344 3.054,345 3.935,346 3.323,347 5.56,348 3.591,349 2.599,350 3.465,352 7.619,353 2.579,354 3.84,355 2.903,356 5.473,357 3.404,358 2.445,359 3.395,361 7.191,362 2.361,363 3.586,364 2.893,365 5.175,366 3.288,367 2.342,368 2.844,370 6.324,371 2.2,372 3.525,373 2.596,374 5.039,375 3.188,376 2.199,377 2.768,379 6.05,380 2.119,381 3.403,382 2.257,383 5.009,384 3.055,385 2.063,386 2.597,388 5.802,389 2.037,390 3.14,391 2.14,392 4.64,393 2.837,394 1.853,395 2.323,397 5.048,398 1.81,399 3,400 1.7,401 4.597,402 2.506,403 1.556,404 2.096,406 4.536,407 1.413,408 2.863,409 1.639,410 3.94,411 2.393,412 1.425,413 2.016,415 3.205,416 1.375,417 2.5,418 1.462,419 3.579,420 2.175,421 1.178,422 1.5,424 2.924,425 1.173,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.258,436 1,437 3.247,438 1.956,439 1,440 1.24,442 2.136,443 0.953,444 1.73,445 0.991,446 3.234,447 1.525,448 0.523,449 0.593,451 1.197,452 0.519,453 1.321,454 0.677,455 3.025,456 1.074,457 0.088,458 0.103,460 0.24,461 0.086,462 16.181,463 0.49,464 0.96,465 0.029,466 42.5,467 1.288,468 22.5,469 0.682,470 20,471 0.606,472 31.031,473 0.94,474 35.419,475 0.611,476 33.752,477 1.023,478 7.977,479 0.242,480 7.82,481 0.237,482 0.127,483 0.052,484 0.278,487 0.569,488 1.147,489 0.715,490 1.069,491 0.66,492 0.89,493 0.455,494 1.079,495 0.767,496 0.971,497 0.429,498 0.993,499 0.887,500 1.111,501 1.068,502 1.105,503 0.831,504 1.103,505 0.997,506 1.036,507 1.109,508 1.109,509 0.977,510 1.052,511 0.969,512 1.063,513 0.785,514 0.983,515 1.095,516 1.053,517 0.668,518 0.984,519 0.683,520 0.93,521 0.735,522 0.956,523 0.819,524 1.011,525 0.722,526 0.912,527 0.826,528 0.983,529 1.182,530 0.992,531 1.034,532 0.993,533 1.161,534 0.967,535 8.5,536 0.268,537 3.556,538 2.375,539 1.831,540 1.278,541 0.91,542 0.655,543 0.521,544 0.324,545 15082,546 48622,547 2.054,548 43.1,549 6,550 9,552 2,553 2,554 2,555 4,558 1.757,559 1.913,560 3.578,561 0.192,567 97.57,568 1.682,569 3.635,570 4.755,571 5.41,572 5.444,573 5.479,574 3.037,575 4.56,576 5.011,577 3.753,578 1981.54,579 8.806,580 29798.9,585 339.763,586 1.554,587 4.964,588 0.236,589 0.008,590 0.07,591 0.047,592 0.038,593 0.027,594 0.018,595 0.014,596 0.012,597 0.009,598 0.478,599 0.17,600 0.88,601 1.024,602 174.919,603 0.037,604 -0.014,605 0.125,606 -0.004,607 -0.097,608 0.056,609 0.253,610 -0.004,611 0.017,612 -0.007,613 0.264,614 -0.049,615 -0.104,616 -0.084,617 -0.118,618 -0.084,619 -0.064,620 -0.117,621 -0.119,622 -0.023,623 -0.126,624 -0.064,625 -0.066,626 -0.052,627 -0.089,628 -0.085,629 0.003,630 -0.031,631 -0.103,632 -0.073,633 0.128,634 -0.034,635 0.133,636 -0.007,637 0.081,638 0.045,639 -0.021,640 -0.048,641 0.06,642 0.001,643 -0.035,644 0.01,645 -0.147,646 -0.006,647 -0.06,648 0.013,649 -0.133,650 0.022,651 4.581,652 5.85,653 0.667,654 38.088,655 1.009,656 1.115,657 3.354,658 11.247,659 0.698,660 3.611,661 3.951,662 4.159,663 4.419,664 4.682,665 4.796,666 4.927,667 5.118,668 5.242,669 5.323,670 7.344,671 0.659,672 485.04,673 3.611,674 5.165,675 5.999,676 6.882,677 7.738,678 8.629,679 9.495,680 10.39,681 11.262,682 12.16,683 3.4,685 1,693 1,699 10,700 1,704 7,706 18,723 1,724 58,726 21,727 2,728 36,730 61,731 25,733 17,734 6,735 6,739 4,740 5,741 1,748 4,751 7,753 18,754 7,756 3,760 1,761 3,765 1,772 25,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 6,847 1,850 1,861 1,862 6.9,864 1,865 3,869 17.25,870 10.126,871 7.097,872 3.469,874 2.933,875 1.37,876 0.978,877 7.257,878 10.856,879 3.892,880 4.505,881 4.958,882 5.477,883 5.997,884 6.188,885 6.452,886 6.779,887 7.118,888 7.42,889 1,890 51,891 12.506,893 5.663,894 7.96,895 23.322,897 19.834,899 2.46,900 81.194,904 270.735,905 136.809,906 33.191,907 39.149,908 112.141,910 5.807,911 131.001,912 422.025,913 33.191,915 15.207,916 98.022,917 153.379,918 39.074,920 247.193,921 39.149,922 270.735,923 164.192,924 112.141,925 44.956,927 223.651,928 159.226,931 49.707,932 97.699,933 61.742,935 270.735,936 145.332,937 175.957,939 5.807,940 270.735,941 37.096,942 93.905,943 16.405,944 168.075,945 270.735,946 145.332,947 175.957,949 0.586,950 0.318,951 0.165,952 0.097,953 24,954 11,955 0.131,956 8,957 1,958 1.091,959 4.338,960 304.781,961 0.091,962 22,963 160.465,967 1,968 23.595,969 10.149,970 6.069,972 145.332,973 17.771,974 4.174,978 6.064,980 59.088,981 592.024,982 48,986 -3.664,987 36.888,991 -0.828,994 58.516,995 64.681,996 0.287,997 0.621,998 0.812,999 0.923,1000 0.929,1001 0.935,1002 5.139,1003 1.853,1004 6.014,1005 5.802,1006 4.635,1007 5.193,1008 2.35,1009 6.838,1010 4.566,1011 6.369,1012 1.556,1013 7.585,1014 5.048,1015 4.369,1016 5.223,1017 2.243,1018 7.96,1019 4.21,1020 7.708,1021 1.425,1022 9.268,1023 4.536,1024 6.282,1025 7.451,1026 3.64,1027 10.991,1028 6.134,1029 9.084,1030 1.178,1031 11.021,1032 3.205,1033 6.804,1034 8.283,1035 4.112,1036 12.976,1037 6.55,1038 10.495,1039 1,1040 12.823,1041 2.924,1042 8.249,1043 10.064,1044 5.203,1045 15.619,1046 7.995,1047 11.934,1048 1,1049 14.663,1050 2.275,1051 9.136,1052 11.264,1053 5.889,1054 17.938,1055 8.778,1056 13.396,1057 0.523,1058 16.532,1059 2.136,1060 10.41,1061 12.883,1062 6.849,1063 20.477,1064 10.028,1065 3.394,1066 0.088,1067 18.424,1068 1.197,1069 11.469,1070 14.256,1071 7.625,1072 22.917,1073 10.992,1074 3.1,1075 12.509,1076 20.334,1077 0.24,1078 12.684,1079 15.815,1080 8.526,1081 25.431,1082 12.163,1083 2.599,1084 10.406,1085 22.258,1086 4.7,1087 13.822,1088 17.271,1089 9.342,1090 27.917,1091 13.213,1092 2.445,1093 7.619,1094 24.193,1095 4.117,1096 15.021,1097 18.809,1098 10.216,1099 30.428,1100 14.354,1101 2.342,1102 7.191,1103 26.138,1104 3.465,1105 16.194,1106 20.306,1107 11.051,1108 32.932,1109 15.446,1110 2.199,1111 6.324,1112 28.09,1113 3.395,1114 17.392,1115 21.838,1116 11.912,1117 35.446,1118 16.576,1119 2.063,1120 6.05,1121 30.048,1122 2.844,1123 18.582,1124 23.355,1125 12.755,1126 37.958,1127 17.688,1128 14507,1129 26228,1130 23.75,1131 40.472,1132 53.817,1133 55.668,1134 54.693,1135 53.807,1136 53.526,1137 70.512,1138 6.042,1139 154.925,1140 51.622,1141 5.8,1142 6.686,1143 7.11,1144 5.369,1145 5.394,1146 7.7,1147 3.925,1148 19.86,1149 5.132,1150 17.353,1151 1.495,1152 1.546,1153 1.519,1154 1.495,1155 1.487,1156 1.959,1157 0.168,1158 4.303,1159 1.434,1160 4.114,1161 4.121,1162 4.737,1163 4.086,1164 7.717,1165 4.031,1166 4.007,1167 4.003,1168 3.99,1169 3.978,1170 7.474,1171 3.938,1172 3.851,1173 3.892,1174 3.925,1175 3.757,1176 6.999,1177 3.758,1178 3.683,1179 3.712,1180 3.781,1181 3.594,1182 6.351,1183 3.55,1184 3.582,1185 3.591,1186 3.518,1187 3.442,1188 4.932,1189 3.418,1190 3.464,1191 3.482,1192 3.391,1193 3.352,1194 4.9,1195 3.333,1196 3.17,1197 3.208,1198 3.158,1199 3.003,1200 4.677,1201 3.007,1202 3.053,1203 3.129,1204 3.058,1205 2.921,1206 4.268,1207 2.901,1208 0.135,1209 0.13,1210 0.203,1211 0.12,1212 0.094,1213 4.852,1214 0.131,1215 4.686,1216 0.065,1217 7.308,1218 0.347,1219 4.314,1220 0.087,1221 3.394,1222 4.7,1223 2.341,1224 12.509,1225 3.132,1226 2.045,1227 2.025,1228 2.152,1229 2.122,1230 1.476,1231 2.141,1232 1.946,1233 1.953,1234 1.973,1235 2.007,1236 1.208,1237 2.043,1238 1.835,1239 1.798,1240 1.949,1241 1.951,1242 1.131,1243 1.96,1244 1.638,1245 1.6,1246 1.837,1247 1.808,1248 1.095,1249 1.819,1250 1.495,1251 1.473,1252 1.682,1253 1.678,1254 0.841,1255 1.683,1256 1.376,1257 1.385,1258 1.455,1259 1.522,1260 0.757,1261 1.568,1262 1.129,1263 1.087,1264 1.352,1265 1.339,1266 0.578,1267 1.36,1268 1.077,1269 1.011,1270 1.181,1271 1.275,1272 0.484,1273 1.301,1274 4.29,1276 5.624,1278 7.144,1280 8.752,1282 10.409,1285 5.887,1289 9.185,1290 3.119,1291 2.836,1294 -0.237,1300 38.238,1301 97.57,1302 210.828,1303 275.763,1304 313.763,1305 315.763,1306 317.763,1307 82.619,1308 7.923,1309 96.36,1310 104.74,1311 24,1312 12.689,1313 4.459,1314 3.7,1315 54.116,1316 142,1317 159,1318 0.181,1319 240.769,1320 423.4,1321 579.236,1322 30476,1323 1.7,1324 23.424,1325 0.71,1326 0.593,1327 24.174,1328 19.571,1329 15.798,1330 0.439,1331 0.352,1332 10.891,1333 14.329,1334 10.493,1335 8.628,1336 16.907,1337 12.682,1338 15.061,1339 0.295,1340 0.206,1341 16.77,1342 10.49,1343 11.47,1344 0.182,1345 0.122,1346 12.863,1347 7.677,1348 9.507,1349 0.116,1350 0.07,1351 10.696,1352 5.762,1353 7.873,1354 0.074,1355 0.041,1356 8.982,1357 4.437,1358 0.284,1359 109.208,1360 0.205,1361 30.655,1362 0.5,1363 174,1364 520.398,1365 238.244,1366 556.265,1367 729.73,1368 510,1369 201,1370 468.464,1371 265.977,1372 523.211,1373 753.83,1374 490,1375 5.959} {0 CHEMBL417716,1 1.489,2 8.294,3 1.749,4 3.059,5 66.286,6 6.804,7 0.556,8 3.6,9 3.742,10 3.081,11 3.109,12 4.673,13 3.073,14 4.128,15 4.326,16 3.368,17 3.481,18 5.167,19 3.402,20 4.381,21 4.636,22 3.259,23 3.565,24 5.27,25 3.436,26 4.367,27 4.641,28 3.135,29 3.507,30 5.194,31 3.35,32 4.289,33 4.58,34 2.868,35 3.347,36 5.081,37 3.161,38 4.115,39 4.41,40 2.755,41 3.168,42 4.926,43 2.996,44 3.935,45 4.215,46 2.663,47 3.014,48 4.827,49 2.864,50 3.765,51 4.044,52 2.661,53 2.854,54 4.747,55 2.721,56 0.029,57 0.507,58 7.675,59 2.928,60 6.813,61 4.287,62 0.141,63 0.777,64 13.672,65 5.038,66 22.13,67 7.432,68 0.197,69 0.868,70 18.438,71 6.242,72 30.616,73 9.337,74 0.162,75 0.836,76 18.172,77 6.238,78 26.62,79 9.481,80 0.177,81 0.732,82 17.04,83 5.568,84 27.921,85 8.582,86 0.155,87 0.608,88 14.367,89 4.615,90 24.519,91 7.126,92 0.137,93 0.519,94 11.946,95 3.706,96 21.201,97 5.74,98 0.147,99 0.44,100 10.003,101 3.273,102 15.624,103 5.005,104 11,105 23,106 0.278,107 0.629,108 0.772,109 0.862,110 0.884,111 0.884,112 2.905,113 0.992,114 -2.74,115 -2.76,116 -2.68,118 38.2,120 5,140 3,143 1,150 2,154 1,156 1,159 1,160 1,161 1,168 6,171 1,172 4,174 1,175 1,177 1,180 5,183 1,186 4,191 1,194 4,196 1,198 5,203 1,206 4,208 1,210 3,215 1,218 3,220 1,222 3,227 1,229 3,232 1,234 1,242 2,246 1,247 2,249 1,250 1,252 1,255 1,257 1,259 1,264 1,269 1,270 334,271 11.535,272 11.535,273 11.535,274 11.535,275 11.535,276 10.171,277 6.98,278 7.19,279 11.675,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.88,286 3.659,287 3.427,288 9.153,289 3.598,290 1.716,291 0.949,292 0.471,293 0.353,294 0.353,295 3.564,299 1,300 1,301 295,302 3.082,305 35.439,306 45.559,309 67.866,313 1.336,314 12.249,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 36.5,326 141,327 4.509,328 3.514,329 6.512,330 3.986,331 3.045,332 4.457,333 1.886,334 10.214,335 2.865,336 3.551,337 3.117,338 5.203,339 3.264,340 2.239,341 2.877,343 6.251,344 2.28,345 3.498,346 2.291,347 4.659,348 3.11,349 2.127,350 2.71,352 5.182,353 2.086,354 3.048,355 1.679,356 4.137,357 2.563,358 1.562,359 2.321,361 3.708,362 1.56,363 2.662,364 1.548,365 3.664,366 2.514,367 1.547,368 1.66,370 3.224,371 1.493,372 2.5,373 1.125,374 3.407,375 1.926,376 1,377 1.5,379 2.236,380 0.924,381 2.157,382 1,383 3.235,384 1.881,385 0.896,386 1.062,388 2.008,389 0.88,390 1.79,391 0.723,392 2.843,393 1.474,394 0.499,395 0.629,397 1.142,398 0.485,399 1.14,400 0.305,401 2.379,402 0.903,403 -0.097,404 -0.111,406 -0.217,407 -0.096,408 0.727,409 -0.068,410 2.172,411 0.395,412 -0.599,413 -0.724,415 -1.383,416 -0.59,417 0.5,418 -0.447,419 1.745,420 0.05,421 -1,422 -1.217,424 -2,425 -0.946,426 0.417,427 -0.943,428 1.528,429 -0.048,430 -1,431 -1.467,433 -2.424,434 -1.019,435 -0.003,436 -1,437 1.451,438 -0.152,439 -1.134,440 -1.5,442 -2.64,443 -1.144,444 -0.115,445 -1.368,446 1,447 -0.614,448 -1.578,449 -1.878,451 -4.073,452 -1.482,453 -0.367,454 -1.611,455 0.832,456 -0.702,457 -1.667,458 -2.058,460 -4.435,461 -1.638,462 8.033,463 0.473,464 0.315,465 0.019,466 20.25,467 1.191,468 9.5,469 0.559,470 10.75,471 0.632,472 12.257,473 0.721,474 18.967,475 0.558,476 11.399,477 0.671,478 3.822,479 0.225,480 4.449,481 0.262,482 0.091,484 0.237,487 0.797,488 1.411,489 0.889,490 1.155,491 0.664,492 1.043,493 0.596,494 1.222,495 0.944,496 1.178,497 0.432,498 1.117,499 1.087,500 0.943,501 1.04,502 0.96,503 1.046,504 0.994,505 0.8,506 1.005,507 0.995,508 1.038,509 0.744,510 1.043,511 0.896,512 0.93,513 1.07,514 1.02,515 0.85,516 1.059,517 0.935,518 0.874,519 0.978,520 0.921,521 0.936,522 0.95,523 1.118,524 0.925,525 1.054,526 0.947,527 1.103,528 0.983,529 0.541,530 0.916,531 0.799,532 0.971,533 0.7,534 0.929,535 2.5,536 0.065,537 1.556,538 0.688,539 0.453,540 0.226,541 0.116,542 0.115,543 0.113,544 0.1,545 2525,546 6928,547 2.028,548 50,549 6,550 3,552 2,553 2,554 4,558 1.561,559 1.925,560 3.026,561 0.411,563 1,564 1,565 1,567 50.626,568 1.489,569 3.372,570 4.139,571 4.617,572 4.735,573 4.735,574 2.419,575 3.852,576 4.057,577 3.216,578 437.318,579 6.821,580 4153.82,582 1,584 1,585 172.974,586 1.261,587 4.03,588 0.139,589 0.011,590 0.068,591 0.034,592 0.027,593 0.019,594 0.011,595 0.012,596 0.011,597 0.011,598 0.342,599 0.5,600 1,601 2.046,602 72.269,603 -0.058,604 -0.139,605 0.029,606 -0.027,607 -0.034,608 0.008,609 0.167,610 -0.085,611 -0.013,612 -0.114,613 0.174,614 -0.095,615 -0.147,616 0.034,617 -0.081,618 0.038,619 -0.11,620 -0.007,621 -0.057,622 -0.061,623 -0.053,624 -0.046,625 -0.049,626 -0.049,627 -0.097,628 -0.023,629 -0.116,630 -0.064,631 -0.097,632 -0.087,633 -0.077,634 0.017,635 -0.014,636 0.028,637 -0.092,638 0.019,639 -0.137,640 0.003,641 -0.079,642 -0.004,643 -0.125,644 -0.027,645 0.338,646 0.008,647 0.17,648 -0.017,649 0.138,650 0.041,651 1.873,652 3.582,653 0.529,654 11.938,655 0.995,656 1.136,657 1.515,658 2.295,659 0.641,660 2.944,661 3.178,662 3.367,663 3.584,664 3.638,665 3.611,666 3.611,667 3.638,668 3.367,669 3.296,670 5.228,671 0.602,672 231.33,673 2.944,674 4.419,675 5.22,676 6.057,677 6.884,678 7.732,679 8.574,680 9.429,681 10.279,682 11.139,683 8.8,690 1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 34,726 11,728 18,730 35,731 13,733 7,739 2,740 3,751 5,753 8,754 5,756 1,761 1,765 1,769 1,772 17,773 3,774 2,775 4,778 1,779 3,784 0.5,785 1,795 1,801 1,802 1,805 1,815 1,832 1,840 17,841 1,846 5,862 2.9,865 1,869 8.833,870 5.817,871 3.889,872 2.147,874 2.133,875 1.357,876 0.966,877 4.02,878 8.099,879 3.219,880 3.767,881 4.319,882 4.917,883 5.305,884 5.55,885 5.834,886 6.122,887 5.542,888 5.568,889 1,890 20,891 6.255,893 2.532,894 7.765,895 12.104,897 9.667,899 2.265,900 38.5,901 0.002,904 176.567,905 68.373,906 50.969,908 25.145,911 68.373,912 201.711,913 50.969,915 45.57,916 28.429,917 78.796,918 10.334,919 4.901,920 153.024,922 176.567,923 119.342,924 25.145,927 176.567,928 25.145,931 64.522,932 38.034,933 16.786,935 176.567,936 76.114,937 68.373,940 176.567,941 22.278,942 47.381,944 74.828,945 176.567,946 76.114,947 68.373,949 0.556,950 0.301,951 0.162,952 0.077,953 10,954 4,955 0.171,956 6,957 1,958 1.222,959 3.073,960 106.935,961 0.222,962 9,963 69.487,968 11.964,969 5.712,970 3.223,971 1.125,972 74.828,973 9.909,974 4.131,978 1.263,980 32.897,981 321.054,982 24,987 10.582,991 -0.207,994 33.818,995 38.611,996 0.293,997 0.663,998 0.813,999 0.908,1000 0.931,1001 0.931,1002 4.388,1003 0.499,1004 5.153,1005 2.008,1006 3.85,1007 4.449,1008 1.906,1009 5.878,1010 3.795,1011 5.56,1012 -0.097,1013 6.65,1014 1.142,1015 3.219,1016 4.205,1017 1.593,1018 6.676,1019 3.12,1020 6.839,1021 -0.599,1022 8.259,1023 -0.217,1024 5.333,1025 6.664,1026 2.857,1027 9.777,1028 5.197,1029 8.165,1030 -1,1031 9.94,1032 -1.383,1033 5.602,1034 7.38,1035 2.98,1036 11.53,1037 5.381,1038 9.531,1039 -1,1040 11.673,1041 -2,1042 7.133,1043 9.267,1044 3.972,1045 14.123,1046 6.884,1047 10.928,1048 -1.134,1049 13.442,1050 -2.424,1051 7.849,1052 10.422,1053 4.33,1054 16.232,1055 7.496,1056 12.349,1057 -1.578,1058 15.238,1059 -2.64,1060 9.132,1061 12.082,1062 5.163,1063 18.659,1064 8.745,1065 3.045,1066 -1.667,1067 17.053,1068 -4.073,1069 10.065,1070 13.432,1071 5.648,1072 20.899,1073 9.576,1074 2.239,1075 10.214,1076 18.883,1077 -4.435,1078 11.244,1079 14.997,1080 6.39,1081 23.264,1082 10.711,1083 2.127,1084 6.251,1085 20.723,1086 4.457,1087 12.277,1088 16.43,1089 6.944,1090 25.554,1091 11.653,1092 1.562,1093 5.182,1094 22.571,1095 2.877,1096 13.415,1097 17.955,1098 7.637,1099 27.896,1100 12.737,1101 1.547,1102 3.708,1103 24.426,1104 2.71,1105 14.492,1106 19.423,1107 8.228,1108 30.205,1109 13.735,1110 1,1111 3.224,1112 26.284,1113 2.321,1114 15.615,1115 20.931,1116 8.895,1117 32.537,1118 14.798,1119 0.896,1120 2.236,1121 28.146,1122 1.66,1123 16.712,1124 22.414,1125 9.506,1126 34.854,1127 15.822,1128 2584,1129 4332,1130 12.019,1131 21.801,1132 26.095,1133 26.445,1134 26.431,1135 25.791,1136 25.831,1137 34.43,1138 3.772,1139 67.93,1140 25.148,1141 5.418,1142 5.514,1143 6.285,1144 5.033,1145 5.045,1146 7.457,1147 3.272,1148 16.989,1149 4.836,1150 7.332,1151 1.45,1152 1.469,1153 1.468,1154 1.433,1155 1.435,1156 1.913,1157 0.21,1158 3.774,1159 1.397,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.437,1165 3.996,1166 3.748,1167 3.806,1168 3.616,1169 3.605,1170 5.051,1171 3.596,1172 3.494,1173 3.553,1174 3.374,1175 3.315,1176 4.882,1177 3.32,1178 3.316,1179 3.378,1180 3.206,1181 3.155,1182 4.376,1183 3.16,1184 3.11,1185 3.191,1186 2.951,1187 2.905,1188 4.083,1189 2.911,1190 2.811,1191 2.908,1192 2.613,1193 2.59,1194 3.786,1195 2.587,1196 2.532,1197 2.662,1198 2.234,1199 2.253,1200 3.447,1201 2.231,1202 2.297,1203 2.411,1204 2.143,1205 2.017,1206 3.278,1207 2.019,1208 0.251,1209 0.195,1210 0.362,1211 0.221,1212 0.169,1213 4.509,1214 0.248,1215 3.514,1216 0.105,1217 6.512,1218 0.567,1219 3.986,1220 0.159,1221 3.045,1222 4.457,1223 1.886,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.072,1229 2.089,1230 1.371,1231 2.084,1232 1.724,1233 1.669,1234 1.94,1235 1.899,1236 1.157,1237 1.916,1238 1.448,1239 1.394,1240 1.68,1241 1.665,1242 0.902,1243 1.669,1244 1.297,1245 1.229,1246 1.472,1247 1.555,1248 0.532,1249 1.535,1250 1.031,1251 0.961,1252 1.329,1253 1.33,1254 0.343,1255 1.346,1256 1.001,1257 0.926,1258 1.221,1259 1.197,1260 0.3,1261 1.213,1262 0.69,1263 0.581,1264 1.108,1265 1.008,1266 0.086,1267 1.055,1268 0.443,1269 0.314,1270 0.889,1271 0.758,1273 0.806,1274 3.611,1276 4.86,1277 2.398,1278 6.293,1279 4.595,1280 7.829,1281 6.605,1282 9.428,1288 5.095,1290 4.496,1300 20.467,1301 50.626,1302 114.635,1303 140.709,1304 156.974,1305 160.974,1306 160.974,1307 23.942,1308 5.966,1309 60.39,1310 60.39,1311 11,1312 11.692,1313 3.585,1314 2.807,1315 28.76,1316 52,1317 51,1318 0.27,1319 130.426,1320 215.53,1321 310,1322 2591,1324 12.088,1325 0.711,1326 0.577,1327 12.088,1328 9.802,1329 8.271,1330 0.459,1331 0.331,1332 5.89,1333 7.991,1334 5.778,1335 4.824,1336 8.271,1337 5.954,1338 7.078,1339 0.308,1340 0.184,1341 7.078,1342 4.233,1343 5.33,1344 0.19,1345 0.103,1346 5.33,1347 2.888,1348 4.395,1349 0.126,1350 0.057,1351 4.395,1352 1.993,1353 3.107,1354 0.084,1355 0.034,1356 3.107,1357 1.242,1358 0.429,1359 51.529,1360 0.288,1361 17.62,1362 0.714,1363 82,1364 228.338,1365 89.432,1366 223.76,1367 300.46,1368 208,1369 92,1370 217.467,1371 98.852,1372 220.558,1373 314.39,1374 207,1375 7.114} {0 CHEMBL417816,1 1.524,2 9.143,3 0.683,4 0.466,5 76.699,6 7.033,7 0.227,8 3.829,9 3.929,10 3.324,11 3.245,12 4.927,13 3.246,14 4.408,15 4.565,16 3.695,17 3.604,18 5.573,19 3.589,20 4.663,21 4.849,22 3.593,23 3.737,24 5.633,25 3.668,26 4.73,27 4.963,28 3.586,29 3.782,30 5.648,31 3.68,32 4.694,33 4.939,34 3.573,35 3.747,36 5.606,37 3.642,38 4.63,39 4.866,40 3.417,41 3.662,42 5.568,43 3.546,44 4.559,45 4.845,46 3.07,47 3.469,48 5.403,49 3.305,50 4.217,51 4.471,52 3.016,53 3.162,54 5.151,55 3.069,56 0.083,57 0.543,58 9.549,59 4.115,60 12.654,61 5.256,62 0.488,63 0.827,64 18.807,65 6.463,66 54.93,67 8.673,68 0.722,69 0.965,70 25.51,71 7.987,72 64.048,73 10.735,74 0.58,75 1.043,76 27.172,77 8.713,78 59.599,79 12.403,80 0.559,81 1.021,82 26.181,83 8.334,84 52.717,85 12.185,86 0.542,87 0.964,88 24.57,89 7.434,90 51.007,91 10.956,92 0.521,93 0.827,94 23.643,95 6.559,96 57.222,97 10.181,98 0.358,99 0.574,100 16.62,101 4.75,102 38.547,103 6.985,104 23,105 30,106 0.274,107 0.614,108 0.801,109 0.851,110 0.859,111 0.859,112 3.102,113 0.961,114 -2.6,115 -2.62,116 -2.56,118 35.7,119 2,120 3,121 1,124 1,126 1,130 1,133 2,143 1,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 2,172 7,175 1,177 1,180 5,181 1,185 1,186 4,191 1,194 3,195 1,197 1,198 5,203 1,206 4,207 1,209 1,210 7,215 1,218 3,219 1,221 1,222 7,227 1,229 2,230 1,234 5,239 1,242 2,247 2,248 2,255 2,258 2,259 1,260 1,262 2,267 2,270 642,271 13.69,272 13.69,273 13.69,274 13.69,275 13.69,276 12.626,277 15.179,278 8.315,279 13.832,280 10.887,281 10.887,282 10.887,283 10.887,284 10.887,285 9.373,286 17.411,287 3.996,288 11.139,289 3.868,290 1.97,291 0.929,292 0.655,293 0.607,294 0.607,295 3.758,299 1,300 1,301 394,302 3.536,305 54.211,306 75.184,313 1.388,314 26.948,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 47.5,326 192,327 4.329,328 3.811,329 6.829,330 4.27,331 3.292,332 3.626,333 2.341,334 11.346,335 3.216,336 4.005,337 3.597,338 6.358,339 3.827,340 2.838,341 3.186,342 1.465,343 9.697,344 2.803,345 3.563,346 3.158,347 5.246,348 3.254,349 2.258,350 2.725,351 0.811,352 6.393,353 2.236,354 3.458,355 2.391,356 4.659,357 3.206,358 2.213,359 2.567,361 5.183,362 2.184,363 3.068,364 2.006,365 4.244,366 2.601,367 1.616,368 2.119,370 3.734,371 1.587,372 2.652,373 1.852,374 3.682,375 2.338,376 1.404,377 1.672,379 3.141,380 1.301,381 2.118,382 1.42,383 3.438,384 1.821,385 0.868,386 0.976,388 2.018,389 0.816,390 2.048,391 1.036,392 3.111,393 1.713,394 0.767,395 0.927,397 1.727,398 0.721,399 1.945,400 0.77,401 3,402 1.581,403 0.618,404 0.871,406 1.372,407 0.594,408 1.41,409 0.618,410 2.828,411 1.153,412 0.21,413 0.235,415 0.494,416 0.195,417 0.769,418 0.475,419 2.739,420 0.653,421 -0.326,422 -0.34,424 -0.755,425 -0.315,426 0.481,427 0.123,428 2.249,429 0.274,430 -0.711,431 -0.749,433 -2,434 -0.698,435 0.365,436 -0.217,437 2.079,438 0.049,439 -1,440 -1,442 -2.263,443 -0.931,444 0.125,445 -0.642,446 2,448 -1,449 -1.064,451 -2.516,452 -1,454 -0.869,455 1.657,456 -0.057,457 -1,458 -1.31,460 -3,461 -1.04,462 9.567,463 0.456,464 0.608,465 0.029,466 20,467 0.952,468 6.5,469 0.31,470 13.5,471 0.643,472 20.296,473 0.966,474 25.233,475 0.601,476 13.605,477 0.648,478 3.959,479 0.189,480 6.019,481 0.287,482 0.174,483 0.052,484 0.209,487 0.858,488 1.511,489 0.837,490 1.406,491 0.775,492 1.158,493 0.864,494 1.175,495 0.869,496 1.175,497 0.493,498 1.044,499 1.358,500 0.995,501 1.238,502 1.029,503 1.063,504 1.101,505 0.929,506 0.994,507 0.985,508 1.026,509 0.728,510 1.025,511 0.746,512 1.017,513 0.859,514 0.988,515 0.522,516 0.96,517 0.94,518 1.11,519 1.109,520 1.091,521 0.682,522 1.132,523 0.86,524 0.857,525 1.006,526 0.885,527 0.864,528 0.957,529 1.036,530 0.929,531 0.906,532 0.92,533 1.054,534 0.887,535 5,536 0.137,537 2.222,538 1.153,539 1.124,540 0.629,541 0.333,542 0.178,543 0.163,544 0.14,545 4137,546 13352,547 1.957,548 50,549 4,550 5,552 2,553 1,554 2,556 7,558 1.631,559 1.813,560 3.127,561 -0.244,563 1,565 1,567 64.026,568 1.524,569 3.422,570 4.463,571 4.737,572 4.785,573 4.785,574 2.475,575 3.785,576 4.356,577 3.352,578 703.873,579 7.467,580 7728.15,582 1,585 226.477,586 1.582,587 4.3,588 0.227,589 0.014,590 0.074,591 0.044,592 0.043,593 0.024,594 0.016,595 0.013,596 0.012,597 0.011,598 0.478,599 0.5,600 1,601 1.92,602 95.891,603 -0.061,604 -0.204,605 0.043,606 -0.138,607 -0.077,608 -0.038,609 0.146,610 -0.05,611 0.087,612 -0.081,613 0.225,614 -0.02,615 -0.2,616 0.002,617 -0.246,618 -0.007,619 -0.193,620 -0.122,621 -0.066,622 -0.016,623 -0.035,624 -0.02,625 -0.028,626 -0.022,627 0.032,628 -0.041,629 0.079,630 0.011,631 0.062,632 0.05,633 -0.099,634 -0.098,635 -0.161,636 -0.111,637 -0.061,638 -0.148,639 -0.088,640 0.061,641 -0.049,642 0.015,643 -0.11,644 0.003,645 -0.089,646 -0.026,647 0.076,648 0.014,649 -0.109,650 0.078,651 2.453,652 3.45,653 0.524,654 18.272,655 1.014,656 1.136,657 1.373,658 1.885,659 0.616,660 3.135,661 3.434,662 3.555,663 3.784,664 3.951,665 3.97,666 3.932,667 3.892,668 3.738,669 3.638,670 5.691,671 0.592,672 295.37,673 3.135,674 4.654,675 5.451,676 6.319,677 7.149,678 8.025,679 8.873,680 9.753,681 10.612,682 11.495,683 2.4,693 1,699 2,700 1,702 1,704 1,706 5,724 42,726 7,728 22,730 43,731 15,733 3,739 2,740 2,745 2,748 2,749 1,751 5,753 6,754 9,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 21,773 6,774 1,775 6,779 1,784 1,785 5,789 1,801 1,802 1,818 1,822 2,830 1,831 2,832 2,836 2,840 21,845 1,846 4,848 2,850 2,852 1,862 11.9,864 1,865 1,866 2,867 1,869 11.583,870 7.817,871 4.639,872 2.475,874 1.131,875 1.181,876 0.866,877 5.424,878 7.389,879 3.314,880 3.744,881 4.014,882 4.42,883 4.534,884 4.736,885 4.914,886 5.035,887 4.973,888 5.007,889 0.833,890 26,891 7.774,893 3.221,894 7.964,895 14.651,897 11.675,899 2.464,900 51.75,904 235.422,905 75.516,906 16.786,908 99.335,911 75.516,912 334.757,913 16.786,914 17.65,915 12.196,916 18.952,917 142.376,918 18.555,919 5.449,920 211.88,922 235.422,923 92.301,924 99.335,927 153.024,928 159.733,929 22,931 50.204,932 6.359,933 35.738,935 235.422,936 116.121,937 75.516,940 235.422,941 18.555,942 56.961,944 116.121,945 235.422,946 116.121,947 75.516,949 0.575,950 0.294,951 0.152,952 0.086,953 13,954 6,955 0.14,956 6,958 1,959 3.328,960 148.291,962 11,963 90.239,968 16.053,969 7.096,970 4.864,972 116.121,973 3.05,974 3.938,976 5.362,978 0.69,980 42.683,981 427.059,982 26.5,987 10.45,989 3.854,991 -0.787,994 42.574,995 47.697,996 0.283,997 0.635,998 0.828,999 0.879,1000 0.887,1001 0.887,1002 4.557,1003 0.767,1004 5.468,1005 2.018,1006 4.111,1007 4.425,1008 2.719,1009 6.275,1010 4.063,1011 5.726,1012 0.618,1013 7.029,1014 1.727,1015 3.892,1016 4.135,1017 2.243,1018 7.496,1019 3.862,1020 7.012,1021 0.21,1022 8.709,1023 1.372,1024 5.759,1025 6.333,1026 3.865,1027 10.44,1028 5.674,1029 8.327,1030 -0.326,1031 10.462,1032 0.494,1033 6.347,1034 6.826,1035 4.112,1036 12.441,1037 6.268,1038 9.673,1039 -0.711,1040 12.261,1041 -0.755,1042 7.745,1043 8.508,1044 5.308,1045 15.004,1046 7.623,1047 11.038,1048 -1,1049 14.091,1050 -2,1051 8.67,1052 9.368,1053 5.889,1054 17.261,1055 8.539,1056 12.418,1057 -1,1058 15.941,1059 -2.263,1060 9.911,1061 10.832,1062 6.893,1063 19.717,1064 9.747,1065 3.292,1066 -1,1067 17.805,1068 -2.516,1069 10.979,1070 11.884,1071 7.625,1072 22.067,1073 10.798,1074 2.838,1075 11.346,1076 19.679,1077 -3,1078 12.17,1079 13.246,1080 8.543,1081 24.49,1082 11.96,1083 2.258,1084 9.697,1085 21.56,1086 3.626,1087 13.299,1088 14.402,1089 9.342,1090 26.877,1091 13.067,1092 2.213,1093 6.393,1094 23.446,1095 3.186,1096 14.476,1097 15.717,1098 10.223,1099 29.292,1100 14.218,1101 1.616,1102 5.183,1103 25.337,1104 2.725,1105 15.633,1106 16.929,1107 11.051,1108 31.696,1109 15.351,1110 1.404,1111 3.734,1112 27.232,1113 2.567,1114 16.809,1115 18.222,1116 11.915,1117 34.111,1118 16.502,1119 0.868,1120 3.141,1121 29.129,1122 2.119,1123 17.979,1124 19.465,1125 12.755,1126 36.523,1127 17.648,1128 4269,1129 7741,1130 14.099,1131 25.892,1132 33.101,1133 32.846,1134 32.268,1135 32.071,1136 32.167,1137 37.81,1138 9.234,1139 90.213,1140 31.307,1141 5.329,1142 5.626,1143 6.599,1144 5.343,1145 5.292,1146 6.232,1147 3.925,1148 18.167,1149 5.186,1150 11.579,1151 1.505,1152 1.493,1153 1.467,1154 1.458,1155 1.462,1156 1.719,1157 0.42,1158 4.101,1159 1.423,1160 3.962,1161 3.982,1162 3.9,1163 3.79,1164 7.474,1165 3.807,1166 3.748,1167 3.784,1168 3.657,1169 3.589,1170 6.351,1171 3.598,1172 3.669,1173 3.701,1174 3.571,1175 3.445,1176 5.183,1177 3.471,1178 3.491,1179 3.538,1180 3.368,1181 3.319,1182 4.796,1183 3.318,1184 3.247,1185 3.291,1186 3.102,1187 3.048,1188 4.375,1189 3.057,1190 2.876,1191 3.009,1192 2.685,1193 2.618,1194 4.045,1195 2.59,1196 2.874,1197 2.941,1198 2.654,1199 2.576,1200 3.887,1201 2.579,1202 2.829,1203 2.882,1204 2.499,1205 2.563,1206 3.786,1207 2.57,1208 0.197,1209 0.173,1210 0.31,1211 0.194,1212 0.15,1213 4.329,1214 0.165,1215 3.811,1216 0.106,1217 6.829,1218 0.516,1219 4.27,1220 0.146,1221 3.292,1222 3.626,1223 2.341,1224 11.346,1225 3.216,1226 1.839,1227 1.808,1228 2.018,1229 2.014,1230 1.344,1231 2.01,1232 1.674,1233 1.637,1234 1.886,1235 1.863,1236 1.13,1237 1.871,1238 1.492,1239 1.437,1240 1.762,1241 1.692,1242 0.962,1243 1.713,1244 1.346,1245 1.314,1246 1.528,1247 1.561,1248 0.692,1249 1.541,1250 1.198,1251 1.144,1252 1.417,1253 1.514,1254 0.552,1255 1.468,1256 1.126,1257 1.094,1258 1.413,1259 1.404,1260 0.469,1261 1.395,1262 0.934,1263 0.804,1264 1.323,1265 1.239,1266 0.289,1267 1.308,1268 0.803,1269 0.739,1270 1.154,1271 1.156,1272 0.195,1273 1.155,1274 3.807,1276 5.106,1277 2.398,1278 6.575,1279 4.443,1280 8.138,1281 6.293,1282 9.762,1284 3.741,1289 8.593,1290 1.97,1292 11.631,1294 -0.09,1296 -0.652,1300 24.863,1301 64.026,1302 143.722,1303 187.458,1304 198.968,1305 200.968,1306 200.968,1307 46.069,1308 6.258,1309 81.79,1310 81.79,1311 11,1312 12.034,1313 3,1314 2.459,1315 39.342,1316 68,1317 79,1318 0.278,1319 154.935,1320 276.83,1321 369.801,1322 3571,1324 15.295,1325 0.728,1326 0.587,1327 15.295,1328 12.32,1329 9.978,1330 0.454,1331 0.32,1332 6.907,1333 9.383,1334 6.706,1335 5.546,1336 9.978,1337 7.047,1338 9.407,1339 0.314,1340 0.185,1341 9.407,1342 5.553,1343 6.447,1344 0.19,1345 0.098,1346 6.447,1347 3.346,1348 5.128,1349 0.119,1350 0.053,1351 5.128,1352 2.275,1353 3.941,1354 0.077,1355 0.032,1356 3.941,1357 1.611,1358 0.434,1359 64.046,1360 0.266,1361 21.049,1362 0.761,1363 104,1364 372.737,1365 122.77,1366 336.828,1367 439.91,1368 314,1369 116,1370 306.961,1371 132.282,1372 300.442,1373 433.82,1374 280,1375 5} {0 CHEMBL418043,1 1.66,2 10.2,3 0.547,4 0.3,5 72.608,6 7.809,7 0.524,8 3.656,9 3.769,10 3.249,11 3.125,12 4.859,13 3.138,14 4.147,15 4.315,16 3.538,17 3.437,18 5.372,19 3.432,20 4.313,21 4.499,22 3.428,23 3.474,24 5.503,25 3.434,26 4.265,27 4.466,28 3.369,29 3.394,30 5.573,31 3.341,32 4.218,33 4.442,34 3.212,35 3.296,36 5.361,37 3.23,38 4.039,39 4.258,40 3.13,41 3.219,42 5.207,43 3.139,44 3.955,45 4.178,46 2.997,47 3.149,48 5.009,49 3.062,50 3.866,51 4.103,52 2.851,53 2.956,54 4.998,55 2.867,56 0.069,57 0.513,58 6.506,59 2.871,60 7.026,61 3.655,62 0.315,63 0.752,64 12.67,65 4.411,66 22.803,67 5.813,68 0.441,69 0.78,70 16.432,71 5.353,72 45.287,73 6.805,74 0.379,75 0.732,76 15.742,77 5.373,78 58.93,79 7.182,80 0.393,81 0.672,82 15.903,83 5.014,84 48.147,85 6.783,86 0.347,87 0.596,88 12.807,89 4.481,90 34.264,91 6.216,92 0.202,93 0.562,94 11.523,95 4.126,96 25.026,97 5.729,98 0.286,99 0.494,100 10.987,101 3.419,102 33.417,103 4.971,104 13,105 27,106 0.305,107 0.684,108 0.833,109 0.854,110 0.854,111 0.854,112 3.055,113 0.879,114 -2.23,115 -2.27,116 -2.24,118 40,119 1,124 2,140 4,141 1,142 1,143 1,149 1,154 2,156 1,168 4,171 1,172 4,175 2,177 2,180 4,185 1,186 4,191 2,194 2,197 1,198 5,203 2,206 1,209 1,210 4,218 2,221 1,222 4,225 1,229 2,234 3,246 1,247 3,258 1,259 1,262 1,270 508,271 13.345,272 13.345,273 13.345,274 13.345,275 13.345,276 11.701,277 13.239,278 8.179,279 13.665,280 10.377,281 10.377,282 10.377,283 10.377,284 10.377,285 7.911,286 12.09,287 3.907,288 10.855,289 3.469,290 1.409,291 0.593,292 0.479,293 0.479,294 0.479,295 3.714,299 1,300 1,301 420,302 3.391,305 66.522,306 73.036,313 1.9,314 22.646,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 44.5,326 204,327 4.2,328 3.678,329 6.047,330 3.841,331 2.841,332 3.773,333 1.915,334 8.662,335 2.836,336 3.922,337 3.349,338 5.368,339 3.469,340 2.553,341 3.479,342 0.996,343 7.033,344 2.343,345 3.762,346 2.885,347 5.302,348 3.369,349 2.418,350 3.105,351 0.86,352 6.845,353 2.288,354 3.449,355 2.625,356 4.716,357 3.081,358 2.072,359 2.637,361 5.236,362 2.069,363 2.805,364 2.027,365 3.865,366 2.401,367 1.453,368 1.826,370 3.188,371 1.366,372 2.69,373 1.568,374 3.59,375 2.23,376 1.23,377 1.717,379 2.887,380 1.215,381 2.5,382 1.168,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.145,391 1,392 3.173,393 1.806,394 0.89,395 1.079,397 1.985,398 0.808,399 2.118,400 0.85,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.217,409 0.618,410 2.561,411 0.91,412 -0.019,413 -0.023,415 -0.047,416 -0.018,417 1,418 0.274,419 2.285,420 0.56,421 -0.454,422 -0.539,424 -1.103,425 -0.444,426 0.689,427 0.15,428 2,429 0.321,430 -0.657,431 -0.869,433 -1.472,434 -0.642,435 0.5,436 -0.294,437 1.706,438 0.095,439 -1,440 -1.396,442 -2,443 -1,444 0.388,445 -0.821,446 1.497,448 -1,449 -1.491,451 -2.826,452 -1.095,453 0.047,454 -1,455 1.022,456 -0.291,457 -1.231,458 -1.5,460 -3,461 -1.155,462 9.2,463 0.46,464 0.438,465 0.022,466 26.75,467 1.338,468 13.5,469 0.675,470 13.25,471 0.663,472 11.975,473 0.599,474 22,475 0.629,476 18.157,477 0.908,478 5.693,479 0.285,480 3.955,481 0.198,482 0.127,484 0.261,487 0.756,488 1.537,489 0.734,490 1.23,491 0.56,492 1.012,493 0.897,494 1.032,495 0.887,496 0.978,497 0.595,498 0.928,499 1.383,500 0.922,501 1.202,502 0.991,503 1.249,504 1.046,505 0.986,506 1.11,507 1.012,508 1.169,509 0.846,510 1.112,511 1.159,512 0.899,513 1.042,514 0.955,515 1.163,516 0.976,517 0.656,518 0.925,519 0.885,520 0.978,521 0.722,522 0.992,523 0.786,524 1.094,525 0.959,526 1.102,527 0.792,528 1.081,529 0.728,530 1.073,531 0.985,532 1.052,533 0.789,534 1.067,535 4,536 0.046,537 1.778,538 0.847,539 0.547,540 0.545,541 0.249,542 0.165,543 0.103,544 0.107,545 4182,546 13848,547 1.995,548 42.9,550 8,551 1,552 2,553 1,554 3,558 1.608,559 1.875,560 3.332,561 -0.222,563 1,565 1,567 58.109,568 1.66,569 3.721,570 4.536,571 4.651,572 4.651,573 4.651,574 2.771,575 3.484,576 4.29,577 3.53,578 670.634,579 7.285,580 7313.95,582 1,585 179.525,586 1.353,587 4.255,588 0.19,589 0.005,590 0.066,591 0.037,592 0.026,593 0.03,594 0.015,595 0.011,596 0.009,597 0.012,598 0.401,599 0.5,600 1,601 1.275,602 91.742,603 -0.062,604 -0.325,605 0.042,606 -0.161,607 -0.047,608 -0.056,609 0.022,610 0.084,611 0.006,612 0.003,613 0.058,614 0.002,615 -0.234,616 0.061,617 -0.236,618 -0.015,619 -0.185,620 -0.105,621 0.016,622 -0.168,623 -0.046,624 -0.174,625 0.159,626 -0.128,627 -0.105,628 0.006,629 -0.034,630 0.017,631 -0.114,632 0.008,633 0.187,634 0.015,635 0.073,636 0.036,637 0.091,638 0.027,639 -0.049,640 -0.14,641 -0.022,642 -0.083,643 -0.069,644 -0.054,645 0.116,646 -0.133,647 -0.002,648 -0.092,649 0.025,650 -0.073,651 2.081,652 4.553,653 0.55,654 19,655 1.017,656 1.132,657 0.999,658 0.997,659 0.656,660 3.091,661 3.332,662 3.466,663 3.611,664 3.611,665 3.611,666 3.611,667 3.611,668 3.611,669 3.555,670 6.23,671 0.639,672 273.32,673 3.091,674 4.575,675 5.361,676 6.184,677 6.986,678 7.811,679 8.619,680 9.445,681 10.257,682 11.083,683 8.6,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 35,726 13,727 1,728 21,730 36,731 14,733 9,734 2,735 4,736 1,739 2,740 2,745 1,753 11,754 3,756 2,761 2,765 2,768 1,769 1,772 15,773 5,774 1,775 6,778 1,779 3,782 1,784 1,785 3,801 1,802 1,832 2,836 1,840 20,846 2,847 1,848 1,862 8.6,865 2,867 1,869 10.667,870 6.483,871 4.528,872 1.929,874 1.979,875 1.323,876 0.939,877 4.906,878 8.106,879 3.384,880 3.887,881 4.312,882 4.774,883 4.983,884 5.08,885 5.229,886 5.282,887 5.524,888 5.708,889 0.857,890 23,891 7.344,893 2.982,894 8.033,895 13.596,897 10.315,899 2.533,900 50.667,904 164.795,905 97.98,906 36.695,908 61.29,911 97.98,912 226.085,913 36.695,914 8.825,915 24.709,916 46.952,917 108.645,918 30.375,919 11.771,920 129.482,922 164.795,923 134.675,924 61.29,927 164.795,928 61.29,931 53.099,932 64.791,933 16.786,935 164.795,936 97.985,937 97.98,940 164.795,941 24.536,942 75.343,943 18.011,944 78.075,945 164.795,946 97.985,947 97.98,949 0.564,950 0.302,951 0.155,952 0.069,953 11,954 5,955 0.139,956 5,958 1,959 3.388,960 131.735,962 11,963 82.439,968 14.283,969 6.869,970 4.493,972 96.086,973 11.918,974 3.938,978 1.089,979 1.911,980 18.011,981 360.761,982 28.5,987 22.337,991 -0.793,994 35.589,995 39.614,996 0.324,997 0.725,998 0.884,999 0.907,1000 0.907,1001 0.907,1002 4.562,1003 0.89,1004 5.303,1005 2.275,1006 4.007,1007 4.57,1008 2.346,1009 5.984,1010 3.93,1011 5.731,1012 0.618,1013 6.783,1014 1.985,1015 3.434,1016 4.182,1017 1.593,1018 6.629,1019 3.372,1020 6.994,1021 -0.019,1022 8.358,1023 1.372,1024 5.476,1025 6.622,1026 3.082,1027 9.624,1028 5.33,1029 8.289,1030 -0.454,1031 9.989,1032 -0.047,1033 5.707,1034 7.045,1035 3.032,1036 11.091,1037 5.58,1038 9.612,1039 -0.657,1040 11.656,1041 -1.103,1042 7.191,1043 8.922,1044 4.118,1045 13.56,1046 7,1047 10.954,1048 -1,1049 13.348,1050 -1.472,1051 7.799,1052 9.726,1053 4.426,1054 15.375,1055 7.627,1056 12.31,1057 -1,1058 15.057,1059 -2,1060 9.035,1061 11.348,1062 5.302,1063 17.65,1064 8.822,1065 2.841,1066 -1.231,1067 16.78,1068 -2.826,1069 9.835,1070 12.355,1071 5.78,1072 19.63,1073 9.641,1074 2.553,1075 8.662,1076 18.514,1077 -3,1078 10.956,1079 13.845,1080 6.548,1081 21.828,1082 10.738,1083 2.418,1084 7.033,1085 20.255,1086 3.773,1087 11.858,1088 14.968,1089 7.109,1090 23.89,1091 11.657,1092 2.072,1093 6.845,1094 22.004,1095 3.479,1096 12.924,1097 16.385,1098 7.822,1099 26.058,1100 12.714,1101 1.453,1102 5.236,1103 23.758,1104 3.105,1105 13.882,1106 17.578,1107 8.425,1108 28.164,1109 13.687,1110 1.23,1111 3.188,1112 25.517,1113 2.637,1114 14.924,1115 18.955,1116 9.109,1117 30.322,1118 14.729,1119 1,1120 2.887,1121 27.281,1122 1.826,1123 15.913,1124 20.192,1125 9.733,1126 32.451,1127 15.731,1128 4212,1129 7755,1130 13.811,1131 22.949,1132 30.751,1133 31.535,1134 30.666,1135 30.098,1136 30.148,1137 40.085,1138 7.542,1139 78.967,1140 29.004,1141 5.075,1142 5.678,1143 5.705,1144 4.927,1145 4.841,1146 6.773,1147 3.328,1148 14.746,1149 4.836,1150 9.768,1151 1.464,1152 1.502,1153 1.46,1154 1.433,1155 1.436,1156 1.909,1157 0.359,1158 3.76,1159 1.381,1160 3.964,1161 4.011,1162 3.908,1163 3.858,1164 7.447,1165 3.863,1166 3.891,1167 3.933,1168 3.836,1169 3.698,1170 7.412,1171 3.726,1172 3.595,1173 3.635,1174 3.521,1175 3.347,1176 4.962,1177 3.381,1178 3.359,1179 3.413,1180 3.232,1181 3.15,1182 4.82,1183 3.157,1184 3.135,1185 3.176,1186 3.023,1187 2.928,1188 4.296,1189 2.944,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.925,1195 2.715,1196 2.68,1197 2.757,1198 2.53,1199 2.402,1200 3.674,1201 2.422,1202 2.512,1203 2.604,1204 2.284,1205 2.304,1206 3.671,1207 2.288,1208 0.2,1209 0.175,1210 0.288,1211 0.183,1212 0.135,1213 4.2,1214 0.18,1215 3.678,1216 0.091,1217 6.047,1218 0.412,1219 3.841,1220 0.135,1221 2.841,1222 3.773,1223 1.915,1224 8.662,1225 2.836,1226 1.9,1227 1.881,1228 1.999,1229 2.012,1230 1.115,1231 2.006,1232 1.631,1233 1.564,1234 1.826,1235 1.87,1236 1.046,1237 1.859,1238 1.486,1239 1.438,1240 1.722,1241 1.75,1242 0.725,1243 1.736,1244 1.309,1245 1.245,1246 1.5,1247 1.528,1248 0.528,1249 1.521,1250 1.139,1251 1.098,1252 1.339,1253 1.417,1254 0.32,1255 1.398,1256 1.007,1257 0.943,1258 1.235,1259 1.285,1260 0.227,1261 1.282,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.58,1269 0.502,1270 0.894,1271 0.884,1273 0.888,1274 3.761,1276 5.017,1277 2.398,1278 6.438,1279 4.443,1280 7.934,1281 6.26,1282 9.473,1284 1.297,1290 1.21,1291 2.211,1292 5.548,1300 22.369,1301 58.109,1302 130.222,1303 158.77,1304 162.77,1305 162.77,1306 162.77,1307 35.464,1308 6.127,1309 73.22,1310 73.22,1311 11,1312 11.662,1313 3.807,1314 3.087,1315 36.816,1316 75,1317 58,1318 0.241,1319 142.156,1320 245.13,1321 338.621,1322 3248,1324 14.372,1325 0.719,1326 0.554,1327 14.372,1328 11.075,1329 9.648,1330 0.459,1331 0.293,1332 6.032,1333 9.122,1334 5.887,1335 4.903,1336 9.648,1337 6.155,1338 8.469,1339 0.314,1340 0.155,1341 8.469,1342 4.184,1343 6.239,1344 0.201,1345 0.083,1346 6.239,1347 2.583,1348 4.976,1349 0.138,1350 0.045,1351 4.976,1352 1.622,1353 3.105,1354 0.086,1355 0.025,1356 3.105,1357 0.904,1358 0.391,1359 61.471,1360 0.269,1361 20.679,1362 0.626,1363 96,1364 354.83,1365 109.55,1366 333.184,1367 437.46,1368 310,1369 106,1370 304.91,1371 118.389,1372 305.004,1373 433.98,1374 285,1375 6.201} {0 CHEMBL418188,1 1.558,2 13.121,3 3.586,4 12.862,5 127.454,6 7.729,7 0.514,8 4.121,9 4.242,10 3.703,11 3.674,12 5.354,13 3.661,14 4.581,15 4.747,16 3.972,17 4.019,18 5.802,19 3.967,20 4.845,21 5.059,22 3.988,23 4.144,24 5.875,25 4.061,26 4.89,27 5.123,28 3.996,29 4.149,30 5.932,31 4.061,32 4.899,33 5.112,34 4.069,35 4.211,36 5.985,37 4.132,38 4.981,39 5.209,40 4.103,41 4.263,42 6.053,43 4.173,44 4.997,45 5.236,46 4.091,47 4.244,48 6.076,49 4.152,50 4.952,51 5.19,52 4.067,53 4.149,54 6.145,55 4.076,56 0.054,57 0.845,58 10.495,59 4.697,60 16.005,61 6.006,62 0.293,63 1.285,64 18.359,65 7.78,66 48.312,67 10.318,68 0.271,69 1.547,70 26.789,71 10.142,72 52.993,73 13.89,74 0.373,75 1.616,76 28.962,77 10.513,78 59.965,79 14.643,80 0.272,81 1.661,82 28.014,83 10.539,84 56.495,85 14.528,86 0.335,87 1.809,88 30.964,89 11.381,90 57.887,91 15.999,92 0.296,93 1.803,94 32.094,95 11.638,96 55.598,97 16.578,98 0.303,99 1.681,100 31.171,101 10.819,102 64.129,103 15.235,104 21,105 44,106 0.252,107 0.625,108 0.795,109 0.897,110 0.914,111 0.92,112 3.531,113 0.896,114 -3.75,115 -3.72,116 -3.53,118 43.9,120 3,124 1,133 1,134 1,140 8,141 3,142 1,143 4,154 2,155 1,163 1,167 1,168 14,169 1,171 1,172 5,175 3,176 1,177 4,180 15,181 1,186 4,191 4,194 14,195 1,198 6,201 3,203 7,206 13,207 1,210 7,215 6,218 12,219 1,221 1,222 9,225 1,227 6,229 10,230 2,234 9,237 1,239 6,242 8,243 3,246 1,247 10,248 1,252 6,255 7,256 2,258 2,259 8,262 2,264 4,265 1,267 6,268 1,270 2176,271 22.681,272 22.681,273 22.681,274 22.681,275 22.681,276 19.675,277 19.779,278 14.304,279 23.06,280 17.33,281 17.33,282 17.33,283 17.33,284 17.33,285 12.905,286 22.805,287 6.804,288 17.893,289 4.274,290 1.967,291 0.912,292 0.281,293 0.175,294 0.14,295 4.219,299 1,300 1,301 901,302 4.472,306 385.302,313 1.95,314 28.55,317 1,318 0.83,319 0.83,320 0.6,322 0.83,323 0.5,324 0.66,325 71,326 433,327 4.393,328 3.927,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.02,337 3.596,338 5.623,339 3.612,340 2.666,341 3.506,342 1.474,343 7.794,344 2.535,345 3.894,346 3.098,347 5.365,348 3.489,349 2.505,350 3.446,351 0.995,352 7.01,353 2.463,354 3.779,355 2.994,356 5.236,357 3.239,358 2.285,359 3.127,360 0.546,361 6.534,362 2.219,363 3.552,364 2.704,365 4.897,366 3.236,367 2.232,368 2.787,369 0.124,370 5.548,371 2.166,372 3.47,373 2.448,374 4.659,375 2.947,376 1.98,377 2.706,379 5.183,380 1.908,381 3.273,382 2.086,383 4.115,384 2.571,385 1.584,386 2.168,388 3.732,389 1.56,390 2.982,391 1.853,392 3.64,393 2.456,394 1.501,395 2.095,397 3.149,398 1.432,399 2.908,400 1.621,401 3.564,402 2.377,403 1.398,404 1.794,406 2.947,407 1.364,408 2.726,409 1.478,410 3.496,411 2.185,412 1.196,413 1.683,415 2.624,416 1.182,417 2.636,418 1.21,419 3.261,420 1.998,421 1.085,422 1.623,424 2.136,425 0.989,426 2.5,427 1.101,428 3.247,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.5,436 1,437 3.247,438 1.956,439 1,440 1.5,442 1.959,443 0.953,444 2.204,445 1,446 3.201,447 1.802,448 0.805,449 1.062,451 1.923,452 0.799,453 1.854,454 0.998,455 3.024,456 1.466,457 0.536,458 0.642,460 1.167,461 0.497,462 15.567,463 0.472,464 0.52,465 0.016,466 46.75,467 1.417,468 26,469 0.788,470 20.75,471 0.629,472 24.479,473 0.742,474 34.233,475 0.601,476 37.236,477 1.128,478 9.506,479 0.288,480 6.646,481 0.201,482 0.069,484 0.225,487 0.858,488 1.253,489 0.788,490 1.014,491 0.643,492 0.91,493 0.538,494 1,495 0.929,496 1.078,497 0.401,498 1.064,499 0.939,500 1.093,501 1.014,502 1.048,503 0.797,504 1.047,505 0.842,506 0.927,507 0.971,508 0.949,509 0.708,510 0.974,511 0.892,512 1.113,513 1.001,514 1.043,515 0.835,516 1.038,517 0.757,518 1.041,519 1.001,520 1.031,521 0.712,522 1.043,523 0.718,524 1.064,525 0.94,526 1.039,527 0.697,528 1.017,529 0.928,530 1.067,531 0.911,532 1.031,533 0.92,534 0.97,535 5,536 0.173,537 2.222,538 1.5,539 1.004,540 0.569,541 0.566,542 0.55,543 0.333,544 0.251,545 15257,546 47051,547 2.047,548 42.1,549 4,550 11,552 4,553 3,554 2,558 1.757,559 1.96,560 3.673,561 0.832,563 1,567 88.829,568 1.558,569 3.866,570 4.921,571 5.552,572 5.657,573 5.693,574 3.121,575 4.681,576 5.011,577 3.848,578 2031.89,579 8.807,580 31668.8,582 1,585 332.475,586 1.152,587 4.997,588 0.143,589 0.005,590 0.051,591 0.034,592 0.023,593 0.012,594 0.012,595 0.011,596 0.007,597 0.006,598 0.304,599 0.33,600 0.88,601 1.416,602 176.922,603 -0.093,604 -0.113,605 0.013,606 -0.001,607 -0.019,608 0.017,609 0.218,610 0.088,611 -0.068,612 -0.076,613 0.187,614 -0.111,615 -0.108,616 -0.104,617 -0.071,618 -0.042,619 -0.09,620 -0.052,621 -0.018,622 0.063,623 -0.003,624 0.04,625 -0.025,626 0.021,627 -0.103,628 -0.104,629 -0.066,630 -0.045,631 -0.086,632 -0.051,633 -0.035,634 -0.027,635 -0.056,636 -0.045,637 -0.048,638 -0.053,639 -0.003,640 -0.074,641 0.022,642 -0.049,643 0.003,644 -0.013,645 -0.006,646 -0.09,647 0.081,648 -0.054,649 0.059,650 0.019,651 2.472,652 3.846,653 0.545,654 40.422,655 1.004,656 1.125,657 2.522,658 6.36,659 0.681,660 3.584,661 3.807,662 3.989,663 4.205,664 4.394,665 4.382,666 4.522,667 4.625,668 4.635,669 4.644,670 7.801,671 0.654,672 440.55,673 3.584,674 5.069,675 5.866,676 6.696,677 7.515,678 8.354,679 9.185,680 10.03,681 10.868,682 11.717,683 10.5,685 1,688 1,692 2,693 2,699 12,700 2,704 4,706 18,717 1,724 57,726 22,727 1,728 35,730 59,731 25,733 16,734 2,735 4,736 2,739 3,740 3,743 1,751 3,752 1,753 20,754 4,756 3,761 1,763 1,764 1,765 3,769 1,772 24,773 8,774 3,775 8,779 6,784 1,785 2,795 2,802 3,818 1,822 1,823 1,826 1,830 1,832 3,840 33,845 1,846 4,847 2,853 1,858 1,860 1,862 3.5,864 1,865 1,869 16.833,870 10,871 7.639,872 3.279,874 3.019,875 1.416,876 0.95,877 9.146,878 10.284,879 3.912,880 4.401,881 4.881,882 5.395,883 5.881,884 5.967,885 6.362,886 6.702,887 6.954,888 7.205,889 0.889,890 44,891 12.077,893 4.895,894 7.899,895 22.704,897 17.604,899 2.399,900 79.167,903 1,904 247.193,905 165.666,906 117.437,908 67.828,911 165.666,912 315.021,913 117.437,915 9.709,916 103.297,917 183.577,918 99.534,919 1.899,920 200.109,922 247.193,923 283.104,924 67.828,927 247.193,928 67.828,931 111.755,932 110.291,933 61.058,935 247.193,936 185.266,937 165.666,940 247.193,941 28.017,942 121.476,943 52.194,944 149.244,945 247.193,946 185.266,947 165.666,949 0.549,950 0.3,951 0.166,952 0.092,953 16,954 7,955 0.186,956 11,958 1,959 4.464,960 280.498,962 18,963 166.465,968 23.659,969 12.758,970 7.883,972 185.266,973 22.259,974 8.298,978 3.583,980 78.705,981 598.125,982 49,987 10.846,989 2.032,990 3.844,991 0.478,994 57.218,995 64.145,996 0.267,997 0.663,998 0.844,999 0.952,1000 0.97,1001 0.976,1002 5.097,1003 1.501,1004 5.784,1005 3.732,1006 4.489,1007 5.088,1008 2.779,1009 6.479,1010 4.432,1011 6.269,1012 1.398,1013 7.259,1014 3.149,1015 3.761,1016 4.511,1017 2.331,1018 7.154,1019 3.702,1020 7.531,1021 1.196,1022 8.837,1023 2.947,1024 5.953,1025 7.148,1026 3.867,1027 10.246,1028 5.854,1029 8.824,1030 1.085,1031 10.481,1032 2.624,1033 6.089,1034 7.389,1035 4.148,1036 11.851,1037 5.996,1038 10.146,1039 1,1040 12.172,1041 2.136,1042 7.686,1043 9.46,1044 5.301,1045 14.427,1046 7.559,1047 11.49,1048 1,1049 13.897,1050 2.136,1051 8.263,1052 10.134,1053 5.904,1054 16.434,1055 8.148,1056 12.851,1057 0.805,1058 15.647,1059 1.959,1060 9.58,1061 11.912,1062 6.888,1063 18.837,1064 9.44,1065 3.03,1066 0.536,1067 17.417,1068 1.923,1069 10.398,1070 12.845,1071 7.632,1072 21.022,1073 10.27,1074 2.666,1075 10.225,1076 19.204,1077 1.167,1078 11.581,1079 14.452,1080 8.541,1081 23.369,1082 11.438,1083 2.505,1084 7.794,1085 21.004,1086 3.988,1087 12.529,1088 15.548,1089 9.345,1090 25.631,1091 12.396,1092 2.285,1093 7.01,1094 22.816,1095 3.506,1096 13.654,1097 17.055,1098 10.222,1099 27.96,1100 13.513,1101 2.232,1102 6.534,1103 24.636,1104 3.446,1105 14.671,1106 18.254,1107 11.052,1108 30.256,1109 14.539,1110 1.98,1111 5.548,1112 26.465,1113 3.127,1114 15.772,1115 19.702,1116 11.914,1117 32.58,1118 15.637,1119 1.584,1120 5.183,1121 28.301,1122 2.787,1123 16.826,1124 20.967,1125 12.756,1126 34.891,1127 16.697,1128 15007,1129 26485,1130 23.633,1131 38.796,1132 51.381,1133 52.994,1134 50.888,1135 49.884,1136 49.849,1137 67.526,1138 10.96,1139 128.684,1140 48.326,1141 5.288,1142 5.927,1143 6.31,1144 5.065,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 14.009,1151 1.468,1152 1.514,1153 1.454,1154 1.425,1155 1.424,1156 1.929,1157 0.313,1158 3.677,1159 1.381,1160 4.014,1161 4.046,1162 3.962,1163 3.951,1164 7.474,1165 3.949,1166 3.884,1167 3.929,1168 3.82,1169 3.778,1170 6.832,1171 3.782,1172 3.807,1173 3.85,1174 3.746,1175 3.713,1176 6.351,1177 3.715,1178 3.695,1179 3.741,1180 3.582,1181 3.549,1182 4.936,1183 3.545,1184 3.563,1185 3.632,1186 3.523,1187 3.321,1188 4.894,1189 3.365,1190 3.378,1191 3.406,1192 3.292,1193 3.208,1194 4.774,1195 3.221,1196 3.184,1197 3.265,1198 3.09,1199 2.98,1200 4.535,1201 2.992,1202 3.051,1203 3.098,1204 2.939,1205 2.846,1206 4.232,1207 2.863,1208 0.126,1209 0.112,1210 0.186,1211 0.115,1212 0.087,1213 4.393,1214 0.114,1215 3.927,1216 0.067,1217 6.508,1218 0.292,1219 4.026,1220 0.086,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.854,1233 1.814,1234 1.978,1235 1.991,1236 1.126,1237 1.99,1238 1.79,1239 1.754,1240 1.922,1241 1.912,1242 1.081,1243 1.914,1244 1.678,1245 1.629,1246 1.887,1247 1.856,1248 0.942,1249 1.868,1250 1.446,1251 1.378,1252 1.585,1253 1.708,1254 0.676,1255 1.676,1256 1.321,1257 1.284,1258 1.524,1259 1.533,1260 0.628,1261 1.522,1262 1.126,1263 1.056,1264 1.318,1265 1.371,1266 0.366,1267 1.363,1268 0.984,1269 0.944,1270 1.218,1271 1.226,1272 0.296,1273 1.214,1274 4.263,1276 5.509,1278 6.944,1280 8.466,1282 10.036,1289 8.911,1290 1.761,1291 6.269,1298 9.075,1299 1.811,1300 37.299,1301 88.829,1302 220.369,1303 280.475,1304 316.475,1305 322.475,1306 324.475,1307 65.091,1308 7.265,1309 123.29,1310 123.29,1311 18,1312 12.279,1313 4.524,1314 3.907,1315 63.927,1316 152,1317 156,1318 0.199,1319 236.173,1320 417.9,1321 568.023,1322 14003,1324 23.305,1325 0.706,1326 0.545,1327 23.305,1328 17.978,1329 16.152,1330 0.461,1331 0.299,1332 10.325,1333 15.605,1334 10.12,1335 8.464,1336 16.152,1337 10.448,1338 13.505,1339 0.307,1340 0.162,1341 13.505,1342 7.127,1343 10.325,1344 0.195,1345 0.089,1346 10.325,1347 4.697,1348 8.494,1349 0.129,1350 0.048,1351 8.494,1352 3.175,1353 6.77,1354 0.085,1355 0.026,1356 6.77,1357 2.1,1358 0.315,1359 100.738,1360 0.206,1361 31.028,1362 0.536,1363 158,1364 493.131,1365 171.615,1366 489.041,1367 652.02,1368 454,1369 176,1370 463.061,1371 187.484,1372 474.387,1373 670.16,1374 444,1375 6.495} {0 CHEMBL418323,1 1.455,2 17.081,3 5.67,4 32.15,5 142.558,6 6.968,7 0.425,8 4.344,9 4.462,10 3.843,11 3.892,12 5.408,13 3.854,14 4.899,15 5.075,16 4.155,17 4.289,18 5.961,19 4.21,20 5.205,21 5.45,22 4.162,23 4.418,24 6.123,25 4.295,26 5.223,27 5.472,28 4.138,29 4.391,30 6.173,31 4.268,32 5.172,33 5.419,34 4.096,35 4.384,36 6.057,37 4.257,38 5.174,39 5.422,40 4.101,41 4.354,42 6.101,43 4.23,44 5.141,45 5.392,46 4.1,47 4.24,48 6.193,49 4.149,50 5.02,51 5.242,52 4.048,53 4.1,54 6.202,55 4.043,56 0.043,57 0.99,58 15.704,59 7.074,60 11.057,61 9.346,62 0.327,63 1.618,64 29.052,65 11.96,66 50.035,67 16.469,68 0.39,69 2.019,70 41.783,71 16.017,72 65.902,73 22.625,74 0.561,75 2.009,76 43.272,77 15.691,78 78.665,79 22.287,80 0.346,81 1.955,82 40.465,83 15.288,84 54.846,85 21.719,86 0.297,87 1.955,88 40.561,89 15.007,90 52.511,91 21.494,92 0.387,93 1.836,94 40.234,95 13.318,96 72.873,97 19.066,98 0.566,99 1.575,100 36.123,101 11.237,102 92.706,103 15.415,104 14,105 52,106 0.226,107 0.55,108 0.709,109 0.808,110 0.856,111 0.868,112 3.641,113 0.995,114 -5.09,115 -4.99,116 -4.67,118 41.7,120 10,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 22,169 1,171 1,172 5,175 2,177 2,180 25,181 1,185 1,186 7,189 1,191 2,194 23,195 1,197 1,198 8,201 1,203 2,206 19,207 1,210 9,215 3,218 15,219 2,222 12,227 6,229 8,230 3,234 13,235 1,239 7,242 3,243 3,246 1,247 12,250 1,252 5,255 3,256 1,258 2,259 11,264 2,267 5,270 3054,271 25.38,272 25.38,273 25.38,274 25.38,275 25.38,276 22.917,277 9.938,278 15.658,279 25.542,280 19.797,281 19.797,282 19.797,283 19.797,284 19.797,285 16.059,286 7.388,287 7.499,288 20.031,289 4.715,290 2.632,291 1.609,292 0.97,293 0.66,294 0.583,295 4.339,300 1,301 1347,302 4.472,305 126.272,306 451.927,313 2.998,314 35.217,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.67,323 0.5,324 0.66,325 79.5,326 632,327 4.411,328 3.598,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.027,336 4.307,337 3.562,338 6.248,339 3.925,340 2.942,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.041,347 5.905,348 3.599,349 2.601,350 3.449,352 8.178,353 2.59,354 3.64,355 2.829,356 5.34,357 3.521,358 2.521,359 3.061,361 6.965,362 2.521,363 3.549,364 2.522,365 5.239,366 3.23,367 2.227,368 2.716,370 6.368,371 2.211,372 3.522,373 2.263,374 4.662,375 3.195,376 2.205,377 2.527,379 5.187,380 2.179,381 3.259,382 2.017,383 4.54,384 2.807,385 1.83,386 2.513,388 4.669,389 1.784,390 2.984,391 1.824,392 4.148,393 2.663,394 1.67,395 2.135,397 3.775,398 1.657,399 2.714,400 1.793,401 3.947,402 2.511,403 1.525,404 1.734,406 3.444,407 1.5,408 2.672,409 1.499,410 3.713,411 2.379,412 1.382,413 1.668,415 3.096,416 1.376,417 2.5,418 1.464,419 3.51,420 2.249,421 1.262,422 1.5,424 2.759,425 1.24,426 2.5,427 1.182,428 3.476,429 2.013,430 1.032,431 1.5,433 2.596,434 1.009,435 2.489,436 1.03,437 3.414,438 2,439 1,440 1.479,442 2.275,443 1,444 2.362,445 1,446 3.268,447 2,448 1,449 1.296,451 2.136,452 1,453 2.161,454 1,455 3.247,456 1.956,457 1,458 1.001,460 2.136,461 0.953,462 17.533,463 0.474,464 0.661,465 0.018,466 43.25,467 1.169,468 20.5,469 0.554,470 22.75,471 0.615,472 35.955,473 0.972,474 40.667,475 0.565,476 33.964,477 0.918,478 7.932,479 0.214,480 10.166,481 0.275,482 0.057,484 0.257,487 0.758,488 1.247,489 0.857,490 1.119,491 0.626,492 1.019,493 0.57,494 1.191,495 0.956,496 1.161,497 0.432,498 1.121,499 0.702,500 0.987,501 0.898,502 0.999,503 0.719,504 0.983,505 0.843,506 0.941,507 0.931,508 0.932,509 0.807,510 0.942,511 0.778,512 0.981,513 0.937,514 0.973,515 0.683,516 0.975,517 0.759,518 1.096,519 0.926,520 1.056,521 0.699,522 1.018,523 1.138,524 1.032,525 0.917,526 0.957,527 1.034,528 0.903,529 1.678,530 0.982,531 1.051,532 0.914,533 1.667,534 0.892,535 5.5,536 0.211,537 3.556,538 1.625,539 1.144,540 0.816,541 0.727,542 0.56,543 0.383,544 0.251,545 25087,546 58685,547 2.087,548 48.6,549 17,550 9,551 1,552 2,553 2,554 2,555 2,558 1.776,559 2,560 4.004,561 0.108,567 104.748,568 1.455,569 3.538,570 4.561,571 5.199,572 5.51,573 5.587,574 3.483,575 4.669,576 5.174,577 4.246,578 2827.83,579 9.081,580 50828.1,585 444.235,586 1.172,587 5.162,588 0.138,589 0.006,590 0.068,591 0.032,592 0.023,593 0.017,594 0.015,595 0.012,596 0.009,597 0.006,598 0.327,599 0.17,600 0.75,601 0.998,602 210.444,603 -0.037,604 -0.055,605 0.035,606 0.005,607 -0.006,608 0.026,609 0.169,610 -0.08,611 -0.035,612 -0.098,613 0.183,614 -0.098,615 0.045,616 0.005,617 0.056,618 0.012,619 0.042,620 0.03,621 0.051,622 0.039,623 0.047,624 0.056,625 0.03,626 0.052,627 -0.039,628 0.014,629 0.018,630 0.033,631 -0.03,632 0.035,633 -0.001,634 -0.098,635 0.033,636 -0.061,637 0.01,638 -0.015,639 -0.046,640 -0.038,641 0.093,642 -0.008,643 0.036,644 0.057,645 -0.095,646 0.011,647 0.013,648 0.019,649 -0.058,650 0.03,651 2.5,652 5.514,653 0.622,654 58.427,655 0.997,656 1.125,657 3.859,658 14.895,659 0.653,660 3.714,661 3.97,662 4.19,663 4.394,664 4.564,665 4.615,666 4.745,667 4.828,668 4.92,669 5.017,670 9.948,671 0.616,672 501.68,673 3.714,674 5.22,675 6.038,676 6.878,677 7.715,678 8.564,679 9.41,680 10.265,681 11.119,682 11.978,683 4.2,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 72,726 20,727 1,728 40,730 75,731 30,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 10,753 18,754 12,755 1,756 3,761 2,763 1,765 3,772 35,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 37,845 1,846 11,847 1,850 1,862 5.6,864 1,865 2,867 1,869 18.5,870 12.517,871 8.361,872 4.804,874 3.038,875 1.382,876 0.951,877 10.078,878 10.982,879 3.961,880 4.457,881 4.969,882 5.487,883 5.944,884 6.236,885 6.663,886 7.022,887 7.397,888 7.755,889 1,890 51,891 13.743,893 5.764,894 7.748,895 26.601,897 21.857,899 2.248,900 83.167,904 388.446,905 149.753,906 51.582,908 102.481,911 149.753,912 490.927,913 51.582,915 45.462,916 78.073,917 160.721,918 43.101,919 11.771,920 353.133,922 388.446,923 201.334,924 102.481,927 364.904,928 126.023,931 71.333,932 86.954,933 43.047,935 388.446,936 154.062,937 149.753,940 388.446,941 53.585,942 96.168,943 18.011,944 136.052,945 388.446,946 154.062,947 149.753,949 0.562,950 0.314,951 0.165,952 0.088,953 21,954 9,955 0.16,956 12,958 1,959 4.993,960 327.066,962 23,963 184.75,968 26.819,969 13.903,970 8.13,972 154.062,973 16.299,974 8.577,976 5.593,978 3.253,980 60.694,981 692.261,982 51.5,987 23.479,989 1.92,991 -0.137,994 71.752,995 80.976,996 0.236,997 0.573,998 0.739,999 0.843,1000 0.893,1001 0.905,1002 5.166,1003 1.67,1004 5.974,1005 4.669,1006 4.654,1007 5.145,1008 2.468,1009 6.703,1010 4.632,1011 6.32,1012 1.525,1013 7.477,1014 3.775,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.585,1021 1.382,1022 9.085,1023 3.444,1024 6.159,1025 7.204,1026 3.693,1027 10.551,1028 6.119,1029 8.887,1030 1.262,1031 10.759,1032 3.096,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.361,1038 10.226,1039 1.032,1040 12.479,1041 2.759,1042 7.948,1043 9.576,1044 5.217,1045 14.784,1046 7.891,1047 11.591,1048 1,1049 14.231,1050 2.596,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.552,1056 12.977,1057 1,1058 16.005,1059 2.275,1060 9.899,1061 12.116,1062 6.852,1063 19.199,1064 9.825,1065 3.042,1066 1,1067 17.795,1068 2.136,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.695,1074 2.942,1075 10.188,1076 19.598,1077 2.136,1078 11.947,1079 14.75,1080 8.526,1081 23.702,1082 11.855,1083 2.601,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.831,1092 2.521,1093 8.178,1094 23.229,1095 3.89,1096 14.052,1097 17.438,1098 10.216,1099 28.251,1100 13.941,1101 2.227,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.739,1107 11.051,1108 30.524,1109 14.971,1110 2.205,1111 6.368,1112 26.885,1113 3.061,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.063,1119 1.83,1120 5.187,1121 28.719,1122 2.716,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.12,1128 23924,1129 37025,1130 27.216,1131 47.017,1132 59.065,1133 59.938,1134 59.205,1135 58.186,1136 58.203,1137 73.862,1138 6.798,1139 155.129,1140 57.53,1141 5.411,1142 5.598,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.027,1150 15.022,1151 1.477,1152 1.498,1153 1.48,1154 1.455,1155 1.455,1156 1.847,1157 0.17,1158 3.878,1159 1.438,1160 4.046,1161 4.069,1162 4.003,1163 3.969,1164 7.474,1165 3.97,1166 3.903,1167 3.957,1168 3.849,1169 3.801,1170 7.429,1171 3.785,1172 3.887,1173 3.914,1174 3.759,1175 3.755,1176 6.351,1177 3.77,1178 3.74,1179 3.782,1180 3.675,1181 3.594,1182 5.149,1183 3.615,1184 3.655,1185 3.702,1186 3.549,1187 3.5,1188 4.915,1189 3.499,1190 3.611,1191 3.659,1192 3.467,1193 3.457,1194 4.661,1195 3.451,1196 3.344,1197 3.406,1198 3.243,1199 3.147,1200 4.308,1201 3.161,1202 3.261,1203 3.288,1204 3.154,1205 3.087,1206 4.194,1207 3.088,1208 0.11,1209 0.09,1210 0.163,1211 0.101,1212 0.076,1213 4.411,1214 0.102,1215 3.598,1216 0.059,1217 6.502,1218 0.255,1219 4.036,1220 0.076,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.027,1226 1.98,1227 1.959,1228 2.132,1229 2.053,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.072,1235 2.047,1236 1.261,1237 2.06,1238 1.796,1239 1.765,1240 1.926,1241 1.909,1242 1.237,1243 1.911,1244 1.676,1245 1.615,1246 1.911,1247 1.88,1248 1.065,1249 1.892,1250 1.622,1251 1.579,1252 1.831,1253 1.809,1254 0.935,1255 1.813,1256 1.483,1257 1.45,1258 1.647,1259 1.687,1260 0.929,1261 1.676,1262 1.269,1263 1.255,1264 1.513,1265 1.502,1266 0.825,1267 1.491,1268 1.255,1269 1.182,1270 1.502,1271 1.458,1272 0.627,1273 1.447,1274 4.394,1276 5.666,1277 2.398,1278 7.122,1279 4.595,1280 8.66,1281 6.605,1282 10.244,1289 9.004,1290 11.354,1291 2.955,1294 0.87,1300 44.352,1301 104.748,1302 254.709,1303 328.36,1304 374.36,1305 396.725,1306 402.235,1307 81.148,1308 7.944,1309 105.32,1310 105.32,1311 23,1312 12.531,1313 4.392,1314 3.644,1315 65.262,1316 220,1317 237,1318 0.14,1319 273.134,1320 484.54,1321 658.206,1322 37217,1324 25.874,1325 0.699,1326 0.573,1327 25.874,1328 21.195,1329 18.097,1330 0.452,1331 0.332,1332 13.143,1333 17.555,1334 12.913,1335 10.738,1336 18.097,1337 13.268,1338 15.514,1339 0.298,1340 0.186,1341 15.514,1342 9.663,1343 12.478,1344 0.192,1345 0.106,1346 12.478,1347 6.908,1348 10.01,1349 0.125,1350 0.061,1351 10.01,1352 4.894,1353 7.722,1354 0.081,1355 0.036,1356 7.722,1357 3.429,1358 0.231,1359 112.587,1360 0.192,1361 34.928,1362 0.356,1363 184,1364 522.979,1365 199.458,1366 503.537,1367 677.98,1368 470,1369 209,1370 487.286,1371 223.272,1372 492.169,1373 712.65,1374 464,1375 5.499} {0 CHEMBL418452,1 1.477,2 13.161,3 3.288,4 10.81,5 121.671,6 7.273,7 0.353,8 4.123,9 4.245,10 3.673,11 3.696,12 5.22,13 3.664,14 4.659,15 4.838,16 4.041,17 4.093,18 5.72,19 4.039,20 4.941,21 5.149,22 4.138,23 4.252,24 6.007,25 4.178,26 5.039,27 5.277,28 4.057,29 4.219,30 6.123,31 4.124,32 4.946,33 5.179,34 3.971,35 4.14,36 5.996,37 4.048,38 4.859,39 5.072,40 3.945,41 4.062,42 6.084,43 3.974,44 4.855,45 5.109,46 3.761,47 3.981,48 5.888,49 3.883,50 4.662,51 4.881,52 3.717,53 3.898,54 5.764,55 3.802,56 0.023,57 0.827,58 11.578,59 5.158,60 7.91,61 6.918,62 0.222,63 1.35,64 21.71,65 8.683,66 23.052,67 12.066,68 0.187,69 1.699,70 30.151,71 11.368,72 39.003,73 15.859,74 0.464,75 1.753,76 35.436,77 12.384,78 69.002,79 17.297,80 0.31,81 1.571,82 32.205,83 11.699,84 61.478,85 16.044,86 0.498,87 1.502,88 28.872,89 10.153,90 86.09,91 14.03,92 0.426,93 1.462,94 30.244,95 9.317,96 64.403,97 13.194,98 0.244,99 1.203,100 23.614,101 8.856,102 44.334,103 12.142,104 27,105 48,106 0.24,107 0.611,108 0.794,109 0.868,110 0.874,111 0.874,112 3.472,113 0.934,114 -4.45,115 -4.38,116 -4.13,118 43.9,119 3,120 2,121 1,126 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 13,171 2,172 10,175 1,177 3,180 14,186 9,191 2,194 11,197 2,198 12,201 1,203 2,206 11,210 7,215 1,218 9,221 2,222 11,225 3,227 2,229 10,234 3,239 1,242 7,246 1,247 9,252 2,255 10,259 6,264 2,267 7,270 1658,271 20.723,272 20.723,273 20.723,274 20.723,275 20.723,276 18.593,277 28.424,278 12.129,279 20.958,280 16.761,281 16.761,282 16.761,283 16.761,284 16.761,285 13.295,286 34.275,287 5.782,288 17.12,289 4.356,290 2.073,291 0.95,292 0.496,293 0.461,294 0.461,295 4.166,299 1,300 1,301 883,302 4,306 331.426,310 243.913,313 2.112,314 30.614,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66,326 408,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.15,336 4.203,337 3.561,338 6.161,339 3.848,340 2.854,341 3.635,342 1.058,343 9.06,344 2.834,345 3.934,346 3.003,347 5.955,348 3.664,349 2.675,350 3.445,351 0.78,352 8.319,353 2.643,354 3.897,355 2.909,356 5.768,357 3.529,358 2.537,359 3.246,360 0.219,361 7.604,362 2.516,363 3.618,364 2.74,365 5.361,366 3.328,367 2.356,368 2.853,370 7.015,371 2.282,372 3.494,373 2.564,374 5.282,375 3.126,376 2.148,377 2.706,379 6.343,380 2.094,381 3.289,382 2.334,383 4.999,384 3.064,385 2.085,386 2.338,388 5.947,389 2.031,390 2.923,391 1.935,392 4.167,393 2.465,394 1.5,395 2.068,397 3.46,398 1.445,399 2.784,400 1.578,401 4.043,402 2.296,403 1.291,404 1.737,406 3.385,407 1.29,408 2.723,409 1.538,410 3.819,411 2.253,412 1.267,413 1.707,415 3.063,416 1.247,417 2.5,418 1.311,419 3.614,420 2.187,421 1.191,422 1.5,424 2.929,425 1.182,426 2.474,427 1.251,428 3.533,429 1.956,430 1,431 1.433,433 2.136,434 0.954,435 2.392,436 1,437 3.247,438 1.791,439 0.771,440 1.162,442 1.934,443 0.78,444 1.719,445 0.746,446 3.057,447 1.535,448 0.543,449 0.609,451 1.234,452 0.537,453 1.669,454 0.626,455 2.929,456 1.103,457 0.107,458 0.148,460 0.282,461 0.106,462 14.767,463 0.476,464 0.839,465 0.027,466 39.75,467 1.282,468 20,469 0.645,470 19.75,471 0.637,472 27.712,473 0.894,474 32.633,475 0.573,476 30.904,477 0.997,478 7.52,479 0.243,480 7.399,481 0.239,482 0.147,484 0.366,487 0.667,488 1.304,489 0.795,490 1.074,491 0.562,492 0.967,493 0.587,494 1.1,495 0.804,496 0.978,497 0.527,498 0.925,499 0.939,500 1.18,501 0.94,502 1.081,503 0.81,504 1.016,505 1.151,506 0.915,507 0.991,508 0.944,509 1.228,510 0.945,511 1.294,512 1.004,513 0.962,514 0.966,515 1.46,516 0.937,517 1.094,518 1.124,519 1.095,520 1.12,521 1.161,522 1.114,523 1.623,524 0.797,525 1.165,526 0.797,527 1.435,528 0.886,529 1.126,530 1.06,531 1.033,532 1.084,533 1.222,534 1.058,535 6.5,536 0.157,537 3.778,538 1.875,539 2.253,540 1.215,541 0.648,542 0.613,543 0.313,544 0.249,545 13828,546 33271,547 2.065,548 45.6,549 9,550 8,551 1,552 2,553 1,555 5,558 1.734,559 1.918,560 3.67,561 -0.393,563 1,567 84.167,568 1.477,569 3.759,570 4.883,571 5.337,572 5.372,573 5.372,574 3.139,575 4.696,576 4.922,577 3.849,578 1789.98,579 8.584,580 26009.1,582 1,585 332.475,586 1.462,587 4.877,588 0.191,589 0.006,590 0.079,591 0.037,592 0.05,593 0.029,594 0.017,595 0.019,596 0.01,597 0.009,598 0.445,599 0.17,600 1,601 0.744,602 162.852,603 -0.013,604 -0.149,605 0.051,606 -0.035,607 -0.039,608 0.006,609 0.181,610 -0.001,611 0.103,612 0.024,613 0.086,614 0.046,615 -0.034,616 -0.14,617 0.008,618 -0.094,619 0.023,620 -0.044,621 0.027,622 0.068,623 0.017,624 0.021,625 -0.015,626 0.02,627 -0.09,628 -0.056,629 0.043,630 0.021,631 -0.108,632 0.044,633 0.189,634 -0.107,635 -0.098,636 -0.161,637 0.164,638 -0.17,639 -0.281,640 0.22,641 -0.127,642 0.122,643 -0.163,644 0.043,645 -0.011,646 -0.086,647 -0.052,648 -0.09,649 0.002,650 -0.079,651 1.872,652 6.105,653 0.645,654 35.563,655 0.996,656 1.122,657 3.221,658 10.372,659 0.672,660 3.555,661 3.892,662 4.159,663 4.407,664 4.7,665 4.804,666 4.949,667 5.112,668 5.252,669 5.247,670 7.643,671 0.637,672 414.55,673 3.555,674 5.106,675 5.958,676 6.838,677 7.712,678 8.599,679 9.483,680 10.375,681 11.266,682 12.164,683 7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 57,726 17,727 1,728 34,730 60,731 25,733 11,734 3,735 3,736 7,739 4,740 7,745 3,751 3,753 18,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 3,840 31,846 2,847 1,850 2,851 1,862 3.5,865 2,869 16.167,870 11.183,871 6.75,872 3.636,874 3.21,875 1.403,876 0.976,877 6.039,878 11.185,879 3.829,880 4.382,881 4.942,882 5.466,883 6.024,884 6.303,885 6.683,886 7.071,887 7.481,888 7.721,889 0.889,890 51,891 11.52,893 4.941,894 7.742,895 22.004,897 18.173,899 2.242,900 69.5,903 1,904 294.278,905 152.257,906 54.706,908 50.29,911 152.257,912 344.567,913 54.706,914 26.476,915 35.252,916 66.334,917 102.355,918 50.379,919 11.771,920 258.964,922 294.278,923 206.963,924 50.29,927 235.422,928 109.145,931 87.56,932 83.665,933 35.738,935 294.278,936 104.996,937 152.257,940 294.278,941 32.305,942 123.076,943 18.011,944 83.861,945 294.278,946 104.996,947 152.257,949 0.587,950 0.34,951 0.175,952 0.101,953 23,954 11,955 0.1,956 6,957 2,958 1.2,959 4.238,960 277.719,961 0.2,962 20,963 151.58,968 21.053,969 8.892,970 4.611,972 104.996,973 13.313,974 4.119,978 3.448,980 18.011,981 551.53,982 45,987 25.874,989 5.001,990 4.589,991 0.588,994 56.781,995 63.979,996 0.253,997 0.645,998 0.837,999 0.915,1000 0.921,1001 0.921,1002 5.081,1003 1.5,1004 5.953,1005 5.947,1006 4.575,1007 5.069,1008 2.023,1009 6.767,1010 4.535,1011 6.285,1012 1.291,1013 7.519,1014 3.46,1015 4.205,1016 4.796,1017 0.325,1018 7.67,1019 4.159,1020 7.586,1021 1.267,1022 9.184,1023 3.385,1024 6.176,1025 7.178,1026 2.145,1027 10.769,1028 6.095,1029 8.919,1030 1.191,1031 10.905,1032 3.063,1033 6.594,1034 7.69,1035 0.766,1036 12.481,1037 6.506,1038 10.283,1039 1,1040 12.663,1041 2.929,1042 8.055,1043 9.56,1044 2.343,1045 15.116,1046 7.933,1047 11.669,1048 0.771,1049 14.446,1050 2.136,1051 8.842,1052 10.461,1053 1.259,1054 17.187,1055 8.706,1056 13.072,1057 0.543,1058 16.247,1059 1.934,1060 10.1,1061 12.098,1062 2.593,1063 19.663,1064 9.933,1065 3.24,1066 0.107,1067 18.063,1068 1.234,1069 11.069,1070 13.214,1071 1.765,1072 21.906,1073 10.882,1074 2.854,1075 11.139,1076 19.891,1077 0.282,1078 12.247,1079 14.733,1080 2.884,1081 24.327,1082 12.03,1083 2.675,1084 9.06,1085 21.729,1086 4.147,1087 13.308,1088 15.972,1089 2.27,1090 26.653,1091 13.065,1092 2.537,1093 8.319,1094 23.575,1095 3.635,1096 14.461,1097 17.433,1098 3.21,1099 29.059,1100 14.188,1101 2.356,1102 7.604,1103 25.428,1104 3.445,1105 15.568,1106 18.744,1107 2.771,1108 31.425,1109 15.267,1110 2.148,1111 7.015,1112 27.289,1113 3.246,1114 16.717,1115 20.177,1116 3.563,1117 33.828,1118 16.384,1119 2.085,1120 6.343,1121 29.155,1122 2.853,1123 17.849,1124 21.53,1125 3.266,1126 36.214,1127 17.486,1128 13153,1129 20581,1130 22.482,1131 38.307,1132 52.65,1133 53.459,1134 52.748,1135 51.154,1136 51.129,1137 65.47,1138 6.628,1139 147.698,1140 50.178,1141 5.482,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.679,1149 5.15,1150 16.361,1151 1.549,1152 1.572,1153 1.551,1154 1.505,1155 1.504,1156 1.926,1157 0.195,1158 4.344,1159 1.476,1160 4.054,1161 4.083,1162 4.019,1163 3.96,1164 7.431,1165 3.968,1166 3.905,1167 3.949,1168 3.831,1169 3.808,1170 7.425,1171 3.807,1172 3.813,1173 3.848,1174 3.754,1175 3.714,1176 4.901,1177 3.72,1178 3.65,1179 3.715,1180 3.538,1181 3.49,1182 4.861,1183 3.49,1184 3.508,1185 3.566,1186 3.373,1187 3.387,1188 4.552,1189 3.375,1190 3.256,1191 3.306,1192 3.152,1193 3.065,1194 4.278,1195 3.081,1196 3.18,1197 3.21,1198 3.118,1199 2.994,1200 4.171,1201 3.016,1202 3.112,1203 3.185,1204 2.927,1205 2.949,1206 3.951,1207 2.934,1208 0.134,1209 0.112,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 3.807,1216 0.037,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.15,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.302,1231 2.091,1232 1.883,1233 1.843,1234 2.035,1235 2.011,1236 1.268,1237 2.021,1238 1.789,1239 1.757,1240 1.916,1241 1.92,1242 1.029,1243 1.924,1244 1.63,1245 1.568,1246 1.846,1247 1.819,1248 0.961,1249 1.832,1250 1.52,1251 1.465,1252 1.747,1253 1.676,1254 0.866,1255 1.703,1256 1.204,1257 1.147,1258 1.517,1259 1.433,1260 0.649,1261 1.453,1262 1.113,1263 1.072,1264 1.417,1265 1.35,1266 0.469,1267 1.346,1268 1.093,1269 1.043,1270 1.292,1271 1.308,1272 0.314,1273 1.308,1274 4.234,1276 5.565,1278 7.093,1280 8.714,1282 10.388,1284 6.153,1290 1.635,1291 3.017,1294 0.304,1295 1.46,1300 36.31,1301 84.167,1302 214.288,1303 278.336,1304 304.21,1305 306.21,1306 306.21,1307 62.493,1308 7.975,1309 76.36,1310 76.36,1311 24,1312 12.689,1313 4.17,1314 3.585,1315 49.665,1316 142,1317 151,1318 0.17,1319 223.974,1320 402.36,1321 538.256,1322 34622,1324 21.957,1325 0.708,1326 0.581,1327 21.957,1328 18.001,1329 14.919,1330 0.439,1331 0.311,1332 10.478,1333 14.495,1334 10.122,1335 8.482,1336 14.919,1337 10.58,1338 13.733,1339 0.286,1340 0.172,1341 13.733,1342 8.269,1343 11.448,1344 0.182,1345 0.088,1346 11.448,1347 5.527,1348 9.247,1349 0.114,1350 0.045,1351 9.247,1352 3.624,1353 7.778,1354 0.071,1355 0.024,1356 7.778,1357 2.581,1358 0.271,1359 92.521,1360 0.211,1361 29.485,1362 0.451,1363 164,1364 446.739,1365 176.727,1366 439.108,1367 604.26,1368 410,1369 193,1370 450.047,1371 206.311,1372 459.178,1373 671.67,1374 432,1375 6.523} {0 CHEMBL41865,1 1.505,2 13.516,3 3.045,4 9.271,5 117.631,6 7.196,7 0.515,8 4.161,9 4.265,10 3.693,11 3.634,12 5.256,13 3.627,14 4.703,15 4.866,16 3.965,17 3.964,18 5.772,19 3.94,20 4.855,21 5.036,22 3.968,23 4.063,24 5.874,25 3.997,26 4.955,27 5.172,28 3.917,29 4.044,30 5.938,31 3.965,32 4.933,33 5.15,34 3.908,35 4.029,36 5.902,37 3.952,38 4.928,39 5.147,40 3.889,41 4.059,42 5.906,43 3.958,44 4.923,45 5.162,46 3.874,47 4.093,48 5.762,49 3.981,50 4.948,51 5.18,52 3.904,53 4.08,54 5.87,55 3.987,56 0.031,57 0.788,58 12.616,59 5.649,60 9.626,61 7.164,62 0.51,63 1.205,64 24.834,65 8.637,66 41.589,67 11.061,68 0.492,69 1.353,70 28.984,71 10.722,72 43.131,73 14.039,74 0.54,75 1.416,76 33.495,77 11.34,78 58.473,79 15.197,80 0.529,81 1.393,82 32.723,83 11.086,84 57.383,85 14.893,86 0.788,87 1.426,88 32.526,89 11.172,90 67.815,91 15.387,92 0.319,93 1.482,94 31.536,95 11.568,96 37.201,97 16.376,98 0.466,99 1.485,100 32.988,101 11.212,102 47.778,103 15.645,104 16,105 42,106 0.245,107 0.567,108 0.786,109 0.864,110 0.882,111 0.882,112 3.471,113 0.929,114 -3.63,115 -3.6,116 -3.43,118 40.7,119 1,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 7,180 10,185 2,186 10,194 5,197 1,198 10,206 1,209 1,210 6,218 2,221 4,222 7,229 2,234 9,242 2,247 8,255 4,258 5,259 4,267 8,270 2074,271 21.378,272 21.378,273 21.378,274 21.378,275 21.378,276 19.217,277 24.247,278 13.142,279 22.167,280 16.22,281 16.22,282 16.22,283 16.22,284 16.22,285 12.937,286 25.344,287 6.123,288 17.259,289 4.377,290 2.399,291 1.055,292 0.581,293 0.466,294 0.466,295 4.156,299 1,300 1,301 876,302 4.183,305 106.189,306 250.094,313 2.017,314 28.685,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68,326 419,327 4.215,328 3.66,329 6.064,330 3.845,331 2.853,332 3.802,333 1.674,334 8.764,335 2.825,336 4.035,337 3.061,338 5.591,339 3.633,340 2.687,341 3.635,342 1.151,343 7.718,344 2.582,345 3.956,346 2.924,347 5.479,348 3.589,349 2.641,350 3.49,351 1.151,352 7.335,353 2.456,354 3.672,355 2.733,356 5.282,357 3.327,358 2.367,359 2.974,360 0.86,361 6.722,362 2.278,363 3.492,364 2.655,365 5.112,366 3.165,367 2.23,368 2.767,370 6.283,371 2.071,372 3.348,373 2.426,374 5.018,375 3.082,376 2.14,377 2.412,379 6.04,380 1.995,381 2.902,382 1.98,383 4.155,384 2.499,385 1.553,386 2.007,388 3.76,389 1.458,390 2.593,391 1.824,392 3.51,393 2.162,394 1.252,395 1.615,397 2.712,398 1.147,399 2.58,400 1.758,401 3.491,402 2.142,403 1.201,404 1.605,406 2.593,407 1.111,408 2.5,409 1.32,410 3.414,411 2,412 1.097,413 1.5,415 2.427,416 1,417 2.249,418 1.199,419 3.399,420 1.976,421 1,422 1.233,424 2.275,425 0.953,426 2.118,427 1.144,428 3.079,429 1.772,430 0.775,431 0.936,433 1.373,434 0.759,435 2.063,436 1,437 3,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.749,445 0.91,446 2.88,447 1.5,448 0.613,449 0.676,451 1.273,452 0.537,453 1.618,454 0.618,455 2.787,456 1.356,457 0.476,458 0.529,460 0.832,461 0.415,462 14.467,463 0.467,464 0.499,465 0.016,466 38,467 1.226,468 18,469 0.581,470 20,471 0.645,472 25.461,473 0.821,474 34.733,475 0.589,476 29.897,477 0.964,478 8.097,479 0.261,480 7.076,481 0.228,482 0.092,484 0.235,487 0.83,488 1.466,489 0.801,490 1.3,491 0.667,492 1.085,493 1.365,494 0.916,495 1.042,496 0.89,497 0.873,498 0.895,499 1.095,500 1.117,501 1.08,502 1.159,503 0.864,504 1.127,505 1.247,506 1.007,507 1.056,508 1.038,509 1.339,510 1.017,511 1.231,512 1.012,513 1.036,514 1.02,515 1.266,516 0.998,517 0.894,518 0.983,519 1.044,520 0.993,521 0.901,522 1.041,523 0.696,524 1.111,525 0.908,526 1.075,527 0.515,528 1.037,529 1.025,530 1.037,531 0.99,532 0.969,533 0.881,534 0.969,535 5.5,536 0.149,537 2.444,538 1.222,539 0.999,540 0.667,541 0.396,542 0.299,543 0.282,544 0.208,545 13784,546 38200,547 2.05,548 47.5,550 22,551 1,552 2,555 3,558 1.739,559 1.958,560 3.701,561 -0.767,563 1,567 88.821,568 1.505,569 3.484,570 4.827,571 5.302,572 5.416,573 5.416,574 3.216,575 4.696,576 4.923,577 3.873,578 1800.85,579 8.613,580 27621.9,582 1,584 1,585 347.076,586 1.191,587 4.904,588 0.167,589 0.004,590 0.058,591 0.031,592 0.027,593 0.018,594 0.011,595 0.008,596 0.007,597 0.005,598 0.337,599 0.33,600 0.88,601 1.061,602 164.637,603 -0.014,604 -0.271,605 0.07,606 -0.172,607 -0.028,608 -0.057,609 -0.118,610 0.166,611 -0.053,612 0.113,613 -0.014,614 0.056,615 -0.016,616 -0.096,617 -0.112,618 -0.136,619 0.006,620 -0.142,621 -0.104,622 -0.046,623 -0.05,624 -0.062,625 -0.091,626 -0.048,627 -0.1,628 -0.049,629 -0.032,630 -0.043,631 -0.103,632 -0.028,633 0.124,634 0.002,635 -0.06,636 -0.009,637 0.035,638 -0.062,639 -0.005,640 -0.11,641 0.031,642 -0.07,643 0.014,644 -0.021,645 -0.105,646 -0.041,647 -0.014,648 0.008,649 -0.081,650 0.014,651 1.998,652 4.962,653 0.548,654 34.674,655 1.006,656 1.126,657 2.4,658 5.761,659 0.647,660 3.526,661 3.761,662 3.951,663 4.111,664 4.22,665 4.205,666 4.263,667 4.263,668 4.369,669 4.454,670 7.929,671 0.618,672 424.54,673 3.526,674 5.017,675 5.82,676 6.645,677 7.461,678 8.289,679 9.11,680 9.939,681 10.762,682 11.591,683 3.4,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 59,726 18,727 2,728 33,730 61,731 24,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 1,753 16,754 8,756 1,761 1,765 1,769 1,772 28,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 31,846 5,848 4,850 1,862 8.5,865 1,866 2,867 2,869 15.833,870 10.983,871 7.194,872 3.415,874 2.133,875 1.302,876 0.933,877 9.096,878 9.202,879 3.773,880 4.266,881 4.744,882 5.196,883 5.53,884 5.498,885 5.641,886 5.595,887 5.829,888 6.111,889 1,890 40,891 11.447,893 4.613,894 7.731,895 21.814,897 16.84,899 2.231,900 69.167,903 1,904 329.591,905 164.698,906 18.685,908 69.144,911 164.698,912 398.735,913 18.685,914 19.708,915 20.475,916 84.857,917 103.282,918 47.746,919 11.771,920 294.278,922 329.591,923 183.383,924 69.144,927 294.278,928 82.458,929 22,931 48.866,932 117.732,933 16.786,935 329.591,936 87.829,937 164.698,940 329.591,941 42.467,942 124.131,944 85.93,945 329.591,946 87.829,947 164.698,949 0.555,950 0.318,951 0.165,952 0.083,953 16,954 7,955 0.213,956 13,958 1,959 4.4,960 251.453,962 17,963 149.58,968 23.01,969 12.255,970 7.511,972 85.93,973 20.443,974 4.09,978 3.292,979 1.955,981 582.118,982 42.5,987 11.962,991 -0.331,994 59.327,995 66.441,996 0.256,997 0.592,998 0.821,999 0.901,1000 0.921,1001 0.921,1002 4.958,1003 1.252,1004 5.746,1005 3.76,1006 4.443,1007 4.952,1008 2.594,1009 6.435,1010 4.335,1011 6.103,1012 1.201,1013 7.226,1014 2.712,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.357,1021 1.097,1022 8.799,1023 2.593,1024 5.922,1025 7.002,1026 3.212,1027 10.081,1028 5.734,1029 8.644,1030 1,1031 10.427,1032 2.427,1033 6.089,1034 7.36,1036 11.523,1037 5.901,1038 9.963,1039 0.775,1040 12.09,1041 2.275,1042 7.633,1043 9.308,1044 4.011,1045 13.994,1046 7.387,1047 11.301,1048 0.618,1049 13.775,1050 1.373,1051 8.2,1052 10.065,1054 15.783,1055 7.949,1056 12.654,1057 0.613,1058 15.477,1059 1.372,1060 9.469,1061 11.741,1062 4.923,1063 18.051,1064 9.178,1065 2.853,1066 0.476,1067 17.19,1068 1.273,1069 10.244,1070 12.714,1072 20.011,1073 9.944,1074 2.687,1075 8.764,1076 18.912,1077 0.832,1078 11.382,1079 14.246,1080 5.898,1081 22.199,1082 11.054,1083 2.641,1084 7.718,1085 20.641,1086 3.802,1087 12.267,1088 15.345,1090 24.248,1091 11.931,1092 2.367,1093 7.335,1094 22.376,1095 3.635,1096 13.342,1097 16.794,1098 6.902,1099 26.406,1100 12.986,1101 2.23,1102 6.722,1103 24.116,1104 3.49,1105 14.288,1106 17.971,1108 28.502,1109 13.924,1110 2.14,1111 6.283,1112 25.862,1113 2.974,1114 15.333,1115 19.37,1116 7.92,1117 30.652,1118 14.954,1119 1.553,1120 6.04,1121 27.612,1122 2.767,1123 16.313,1124 20.596,1126 32.775,1127 15.927,1128 13478,1129 22556,1130 22.246,1131 38.182,1132 47.544,1133 48.567,1134 48.16,1135 46.93,1136 47.006,1137 60.215,1138 9.672,1139 122.956,1140 44.328,1141 5.146,1142 5.66,1143 5.833,1144 4.934,1145 4.853,1146 6.802,1147 3.349,1148 14.823,1149 4.825,1150 13.576,1151 1.441,1152 1.472,1153 1.459,1154 1.422,1155 1.424,1156 1.825,1157 0.293,1158 3.726,1159 1.343,1160 3.987,1161 4.028,1162 3.923,1163 3.889,1164 7.433,1165 3.891,1166 3.915,1167 3.949,1168 3.857,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.712,1176 4.877,1177 3.74,1178 3.579,1179 3.612,1180 3.477,1181 3.358,1182 4.756,1183 3.377,1184 3.518,1185 3.569,1186 3.385,1187 3.296,1188 4.602,1189 3.302,1190 3.319,1191 3.365,1192 3.181,1193 3.087,1194 4.454,1195 3.101,1196 3.208,1197 3.254,1198 3.057,1199 3.023,1200 4.393,1201 3.025,1202 3.096,1203 3.151,1204 2.926,1205 2.878,1206 4.239,1207 2.879,1208 0.128,1209 0.111,1210 0.184,1211 0.117,1212 0.086,1213 4.215,1214 0.115,1215 3.66,1216 0.051,1217 6.064,1218 0.266,1219 3.845,1220 0.086,1221 2.853,1222 3.802,1223 1.674,1224 8.764,1225 2.825,1226 1.923,1227 1.903,1228 2.031,1229 2.025,1230 1.209,1231 2.025,1232 1.899,1233 1.878,1234 2.014,1235 1.998,1236 1.144,1237 2.003,1238 1.683,1239 1.63,1240 1.866,1241 1.904,1242 1.116,1243 1.895,1244 1.485,1245 1.424,1246 1.8,1247 1.74,1248 0.937,1249 1.757,1250 1.366,1251 1.315,1252 1.597,1253 1.626,1254 0.702,1255 1.612,1256 1.282,1257 1.22,1258 1.551,1259 1.531,1260 0.625,1261 1.537,1262 1.233,1263 1.179,1264 1.454,1265 1.515,1266 0.59,1267 1.503,1268 1.155,1269 1.098,1270 1.433,1271 1.412,1272 0.516,1273 1.417,1274 4.205,1276 5.46,1277 2.398,1278 6.893,1279 4.443,1280 8.404,1281 6.26,1282 9.958,1284 3.434,1290 2.213,1292 22.291,1294 -0.182,1300 36.465,1301 88.821,1302 205.535,1303 284.811,1304 312.811,1305 319.566,1306 319.566,1307 58.211,1308 7.069,1309 71.81,1310 71.81,1311 17,1312 12.166,1313 4.248,1314 3.392,1315 58.088,1316 140,1317 167,1318 0.186,1319 226.03,1320 396.17,1321 543.272,1322 10989,1324 21.891,1325 0.706,1326 0.577,1327 21.891,1328 17.899,1329 15.173,1330 0.46,1331 0.31,1332 10.007,1333 14.366,1334 9.735,1335 8.11,1336 15.173,1337 10.217,1338 12.614,1339 0.3,1340 0.166,1341 12.614,1342 6.977,1343 10.265,1344 0.201,1345 0.091,1346 10.265,1347 4.629,1348 7.995,1349 0.133,1350 0.05,1351 7.995,1352 3.03,1353 5.772,1354 0.086,1355 0.028,1356 5.772,1357 1.899,1358 0.299,1359 96.662,1360 0.212,1361 29.758,1362 0.49,1363 150,1364 505.968,1365 168.692,1366 466.033,1367 620.42,1368 440,1369 168,1370 427.748,1371 186.974,1372 432.382,1373 622.04,1374 401,1375 5.143} {0 CHEMBL41880,1 1.566,2 13.645,3 3.154,4 9.946,5 127.72,6 7.327,7 0.515,8 4.169,9 4.284,10 3.724,11 3.674,12 5.228,13 3.642,14 4.711,15 4.894,16 4.023,17 4.023,18 5.688,19 3.975,20 4.858,21 5.031,22 4.089,23 4.191,24 5.841,25 4.074,26 5.027,27 5.264,28 3.968,29 4.191,30 5.903,31 4.028,32 4.942,33 5.176,34 3.881,35 4.091,36 5.805,37 3.964,38 4.923,39 5.166,40 3.855,41 4.081,42 5.769,43 3.945,44 4.916,45 5.168,46 3.877,47 4.06,48 5.763,49 3.933,50 4.836,51 5.065,52 3.857,53 4.049,54 5.718,55 3.94,56 0.013,57 0.832,58 12.912,59 5.638,60 10.863,61 7.365,62 0.384,63 1.31,64 26.156,65 8.624,66 30.483,67 11.32,68 0.364,69 1.487,70 30.187,71 12.074,72 36.771,73 15.267,74 0.422,75 1.677,76 43.841,77 14.811,78 51.686,79 18.48,80 0.407,81 1.499,82 35.08,83 12.358,84 43.2,85 16.268,86 0.409,87 1.486,88 32.456,89 12.04,90 41.134,91 16.568,92 0.367,93 1.49,94 34.868,95 11.939,96 40.967,97 16.244,98 0.314,99 1.404,100 29.438,101 10.641,102 35.31,103 14.488,104 22,105 43,106 0.254,107 0.566,108 0.758,109 0.807,110 0.834,111 0.834,112 3.471,113 0.958,114 -3.58,115 -3.55,116 -3.39,118 40,123 3,124 4,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 1,172 5,180 10,185 2,186 8,194 5,197 1,198 7,209 1,210 5,221 2,222 7,233 1,234 9,242 1,247 7,255 4,258 1,259 4,267 8,270 2094,271 21.007,272 21.007,273 21.007,274 21.007,275 21.007,276 18.872,277 24.808,278 12.636,279 21.759,280 16.201,281 16.201,282 16.201,283 16.201,284 16.201,285 12.944,286 26.523,287 5.933,288 17.322,289 4.341,290 2.419,291 1.238,292 0.938,293 0.771,294 0.771,295 4.153,299 1,300 1,301 884,302 4.301,305 109.549,306 253.284,313 2.15,314 19.774,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 66.5,326 423,327 4.241,328 3.871,329 6.284,330 3.866,331 2.92,332 3.791,333 1.26,334 9.192,335 2.772,336 4.035,337 3.062,338 5.594,339 3.634,340 2.695,341 3.635,342 1.151,343 7.728,344 2.582,345 3.958,346 2.924,347 5.479,348 3.595,349 2.642,350 3.49,351 1.151,352 7.335,353 2.463,354 3.788,355 2.734,356 5.352,357 3.422,358 2.464,359 3.133,360 0.86,361 6.953,362 2.351,363 3.493,364 2.655,365 5.112,366 3.172,367 2.248,368 2.767,369 0.305,370 6.285,371 2.072,372 3.358,373 2.427,374 5.027,375 3.092,376 2.154,377 2.422,379 6.063,380 2.001,381 3.091,382 2.096,383 4.812,384 2.798,385 1.847,386 2.21,388 5.014,389 1.747,390 2.583,391 2.017,392 3.508,393 2.142,394 1.252,395 1.611,397 2.712,398 1.112,399 2.5,400 1.818,401 3.438,402 2,403 1.131,404 1.5,406 2.495,407 1,408 2.5,409 1.322,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.268,418 1.166,419 3.414,420 2,421 1,422 1.248,424 2.275,425 0.973,426 2.176,427 1,428 3.253,429 1.687,430 0.794,431 0.979,433 1.782,434 0.697,435 2.118,436 1,437 3.01,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.764,445 0.968,446 3,447 1.448,448 0.581,449 0.662,451 1.213,452 0.497,453 1.631,454 0.618,455 2.785,456 1.332,457 0.46,458 0.526,460 0.829,461 0.396,462 15.033,463 0.485,464 0.626,465 0.02,466 38,467 1.226,468 18,469 0.581,470 20,471 0.645,472 26.005,473 0.839,474 34.167,475 0.569,476 29.751,477 0.96,478 8.111,479 0.262,480 6.935,481 0.224,482 0.155,484 0.253,487 0.902,488 1.454,489 0.724,490 1.12,491 0.818,492 1.053,493 1.673,494 0.805,495 0.893,496 0.708,497 1.229,498 0.78,499 1.078,500 1.154,501 1.041,502 1.139,503 0.997,504 1.205,505 1.129,506 1.057,507 1.344,508 1.239,509 1.25,510 1.076,511 1.243,512 0.966,513 0.977,514 0.969,515 1.138,516 1.003,517 0.83,518 1.011,519 0.791,520 0.939,521 0.797,522 1.031,523 0.912,524 0.979,525 0.861,526 0.955,527 0.814,528 0.938,529 1.179,530 0.961,531 0.831,532 0.834,533 1.012,534 0.943,535 6,536 0.177,537 2.889,538 1.222,539 1.079,540 0.75,541 0.455,542 0.271,543 0.273,544 0.237,545 14100,546 37634,547 2.031,548 48.3,550 26,551 1,552 2,558 1.737,559 1.918,560 3.711,561 -0.767,563 1,567 93.983,568 1.566,569 3.488,570 4.669,571 4.969,572 5.136,573 5.136,574 3.232,575 4.414,576 4.923,577 3.923,578 1824.07,579 8.602,580 28206.3,582 1,585 354.413,586 1.318,587 4.892,588 0.182,589 0.005,590 0.067,591 0.03,592 0.03,593 0.021,594 0.013,595 0.008,596 0.008,597 0.007,598 0.371,599 0.33,600 0.88,601 0.956,602 165.313,603 0.009,604 -0.306,605 0.053,606 -0.15,607 -0.022,608 -0.063,609 -0.236,610 0.274,611 0.002,612 0.195,613 -0.146,614 0.141,615 0.032,616 -0.129,617 -0.102,618 -0.124,619 0.011,620 -0.213,621 -0.052,622 -0.073,623 -0.139,624 -0.122,625 -0.094,626 -0.07,627 -0.072,628 -0.027,629 -0.055,630 -0.034,631 -0.101,632 -0.035,633 0.117,634 -0.081,635 0.021,636 -0.053,637 0.071,638 -0.056,639 0.038,640 -0.028,641 0.055,642 -0.023,643 0.094,644 0.04,645 -0.132,646 0.009,647 -0.016,648 0.047,649 -0.092,650 0.018,651 1.435,652 2.687,653 0.548,654 36.73,655 0.998,656 1.124,657 2.347,658 5.51,659 0.665,660 3.526,661 3.784,662 3.97,663 4.094,664 4.205,665 4.22,666 4.277,667 4.263,668 4.344,669 4.466,670 8.154,671 0.621,672 439.63,673 3.526,674 5.03,675 5.838,676 6.666,677 7.485,678 8.315,679 9.137,680 9.968,681 10.792,682 11.622,683 5,690 1,691 1,693 1,699 11,700 1,704 4,705 1,706 17,722 1,724 60,726 18,727 2,728 33,730 62,731 24,733 15,734 4,735 8,736 1,739 3,740 3,751 1,753 16,754 8,756 1,762 1,765 1,769 1,772 29,773 5,775 7,776 1,778 1,779 3,784 1,785 3,801 1,802 2,831 2,832 3,834 1,836 3,840 31,846 4,848 3,850 1,851 1,862 5,866 2,867 1,869 16.167,870 11.517,871 7.056,872 3.24,874 2.103,875 1.298,876 0.941,877 9.035,878 9.172,879 3.773,880 4.28,881 4.761,882 5.184,883 5.527,884 5.55,885 5.669,886 5.612,887 5.792,888 6.101,889 1,890 41,891 11.409,893 4.549,894 7.591,895 22.022,897 17.071,899 2.091,900 64.833,903 1,904 341.362,905 206.788,906 21.809,908 33,910 45.192,911 161.596,912 374.362,913 21.809,914 27.676,915 19.007,916 84.857,917 71.659,918 36.747,919 11.771,920 306.049,921 45.192,922 341.362,923 183.405,924 33,925 45.192,927 341.362,928 11,929 22,931 38.572,932 128.047,933 16.786,934 45.192,935 341.362,936 54.809,937 206.788,940 341.362,941 31.396,942 135.223,944 94.977,945 341.362,946 54.809,947 206.788,949 0.568,950 0.324,951 0.155,952 0.077,953 17,954 8,955 0.177,956 11,958 1,959 4.396,960 251.051,962 17,963 143.58,965 1,968 23.417,969 11.96,970 7.436,972 52.91,973 21.533,974 4.117,978 4.051,979 2,981 602.958,982 42.5,988 5.423,991 0.817,994 59.851,995 67.441,996 0.265,997 0.591,998 0.79,999 0.841,1000 0.869,1001 0.869,1002 4.972,1003 1.252,1004 5.784,1005 5.014,1006 4.466,1007 4.966,1008 2.396,1009 6.488,1010 4.342,1011 6.13,1012 1.131,1013 7.283,1014 2.712,1015 3.892,1016 4.527,1017 0.325,1018 7.182,1019 3.717,1020 7.391,1021 1,1022 8.875,1023 2.495,1024 5.969,1025 7.022,1026 2.604,1027 10.178,1028 5.742,1029 8.685,1030 1,1031 10.522,1032 2.275,1033 6.217,1034 7.409,1035 0.705,1036 11.672,1037 5.923,1038 10.009,1039 0.794,1040 12.204,1041 2.275,1042 7.709,1043 9.33,1044 2.869,1045 14.154,1046 7.383,1047 11.352,1048 0.618,1049 13.909,1050 1.782,1051 8.333,1052 10.099,1053 1.142,1054 15.994,1055 7.934,1056 12.71,1057 0.581,1058 15.632,1059 1.372,1060 9.578,1061 11.761,1062 3.165,1063 18.295,1064 9.151,1065 2.92,1066 0.46,1067 17.367,1068 1.213,1069 10.394,1070 12.737,1071 1.622,1072 20.308,1073 9.896,1074 2.695,1075 9.192,1076 19.114,1077 0.829,1078 11.524,1079 14.26,1080 3.481,1081 22.541,1082 10.996,1083 2.642,1084 7.728,1085 20.87,1086 3.791,1087 12.442,1088 15.358,1089 2.125,1090 24.645,1091 11.847,1092 2.464,1093 7.335,1094 22.634,1095 3.635,1096 13.52,1097 16.8,1098 3.813,1099 26.855,1100 12.89,1101 2.248,1102 6.953,1103 24.406,1104 3.49,1105 14.494,1106 17.974,1107 2.636,1108 29.007,1109 13.802,1110 2.154,1111 6.285,1112 26.185,1113 3.133,1114 15.549,1115 19.368,1116 4.157,1117 31.212,1118 14.817,1119 1.847,1120 6.063,1121 27.97,1122 2.767,1123 16.555,1124 20.59,1125 3.147,1126 33.391,1127 15.764,1128 13783,1129 22626,1130 21.959,1131 39.926,1132 48.371,1133 49.644,1134 48.782,1135 47.575,1136 47.615,1137 60.803,1138 9.454,1139 127.045,1140 44.48,1141 5.171,1142 5.871,1143 5.9,1144 4.953,1145 4.92,1146 6.791,1147 2.426,1148 15.626,1149 4.772,1150 15.672,1151 1.466,1152 1.504,1153 1.478,1154 1.442,1155 1.443,1156 1.843,1157 0.286,1158 3.85,1159 1.348,1160 3.988,1161 4.03,1162 4.032,1163 3.913,1164 4.968,1165 3.901,1166 3.916,1167 3.954,1168 3.886,1169 3.846,1170 4.898,1171 3.843,1172 3.901,1173 3.934,1174 3.842,1175 3.713,1176 4.868,1177 3.74,1178 3.599,1179 3.656,1180 3.679,1181 3.445,1182 4.666,1183 3.42,1184 3.528,1185 3.582,1186 3.44,1187 3.333,1188 4.548,1189 3.337,1190 3.314,1191 3.362,1192 3.176,1193 3.077,1194 4.382,1195 3.091,1196 3.161,1197 3.22,1198 3.108,1199 3.002,1200 4.233,1201 2.977,1202 3.055,1203 3.129,1204 2.934,1205 2.826,1206 4.054,1207 2.814,1208 0.129,1209 0.117,1210 0.19,1211 0.117,1212 0.088,1213 4.241,1214 0.115,1215 3.871,1216 0.038,1217 6.284,1218 0.279,1219 3.866,1220 0.084,1221 2.92,1222 3.791,1223 1.26,1224 9.192,1225 2.772,1226 1.931,1227 1.91,1228 2.031,1229 2.021,1230 1.211,1231 2.027,1232 1.899,1233 1.878,1234 2.014,1235 1.997,1236 1.151,1237 2.004,1238 1.685,1239 1.633,1240 1.867,1241 1.904,1242 1.119,1243 1.897,1244 1.515,1245 1.447,1246 1.766,1247 1.754,1248 0.852,1249 1.77,1250 1.363,1251 1.311,1252 1.597,1253 1.624,1254 0.701,1255 1.611,1256 1.281,1257 1.22,1258 1.55,1259 1.53,1260 0.622,1261 1.535,1262 1.223,1263 1.16,1264 1.453,1265 1.51,1266 0.59,1267 1.502,1268 1.14,1269 1.075,1270 1.417,1271 1.38,1272 0.516,1273 1.396,1274 4.205,1276 5.476,1277 2.398,1278 6.923,1279 4.443,1280 8.442,1281 6.26,1282 10,1284 5.561,1290 2.17,1292 17.332,1294 -0.102,1295 1.933,1300 37.244,1301 93.983,1302 209.301,1303 280.149,1304 298.149,1305 308.149,1306 308.149,1307 52.065,1308 7.069,1309 48.75,1310 80.84,1311 17,1312 12.196,1313 4.248,1314 3.392,1315 58.209,1316 144,1317 167,1318 0.181,1319 235.962,1320 408.1,1321 567.508,1322 10914,1324 22.054,1325 0.711,1326 0.614,1327 22.554,1328 19.048,1329 15.046,1330 0.456,1331 0.319,1332 9.971,1333 14.104,1334 9.569,1335 8.025,1336 15.335,1337 10.543,1338 12.939,1339 0.301,1340 0.182,1341 13.273,1342 7.839,1343 10.58,1344 0.203,1345 0.104,1346 11.149,1347 5.399,1348 7.74,1349 0.131,1350 0.054,1351 7.906,1352 3.165,1353 5.608,1354 0.085,1355 0.03,1356 5.704,1357 1.983,1358 0.293,1359 98.043,1360 0.213,1361 29.884,1362 0.473,1363 152,1364 455.002,1365 179.941,1366 452.66,1367 602.86,1368 426,1369 171,1370 406.141,1371 198.848,1372 427.432,1373 610.24,1374 393,1375 4.907} {0 CHEMBL418852,1 1.795,2 12.067,3 3.277,4 10.737,5 115.657,6 8.615,7 0.531,8 4.047,9 4.14,10 3.859,11 3.64,12 5.172,13 3.598,14 4.575,15 4.718,16 4.143,17 4.024,18 5.945,19 3.957,20 4.824,21 5.002,22 4.103,23 4.155,24 5.95,25 4.03,26 4.903,27 5.117,28 4.01,29 4.101,30 6.02,31 3.984,32 4.803,33 4.998,34 4.079,35 4.074,36 5.922,37 3.967,38 4.877,39 5.102,40 4.114,41 4.079,42 6.024,43 3.971,44 4.858,45 5.095,46 4.007,47 4.042,48 5.906,49 3.928,50 4.828,51 5.039,52 3.955,53 3.985,54 5.978,55 3.871,56 0.139,57 0.756,58 11.344,59 5.071,60 23.836,61 5.673,62 0.513,63 1.197,64 19.361,65 8.351,66 77.883,67 9.936,68 0.466,69 1.415,70 32.731,71 12.202,72 72.043,73 14.058,74 0.667,75 1.467,76 38.113,77 12.562,78 105.301,79 14.8,80 0.463,81 1.376,82 29.547,83 10.969,84 74.094,85 13.226,86 0.656,87 1.447,88 35.117,89 11.86,90 89.059,91 14.87,92 0.534,93 1.424,94 32.46,95 11.47,96 75.607,97 14.591,98 0.711,99 1.365,100 37.123,101 11.361,102 98.382,103 13.228,104 29,105 44,106 0.297,107 0.634,108 0.779,109 0.86,110 0.875,111 0.881,112 3.44,113 1.052,114 -3.87,115 -3.83,116 -3.63,118 40.4,120 3,124 2,140 7,141 3,142 2,143 1,149 1,154 1,156 1,163 1,167 1,168 11,169 1,171 2,172 2,175 3,177 2,180 15,181 1,186 7,191 4,194 13,195 1,198 10,203 5,206 5,207 2,210 9,215 4,218 4,219 2,222 11,227 5,229 4,230 2,234 9,235 1,237 1,239 3,242 6,246 1,247 5,250 1,253 1,255 9,258 2,259 2,260 1,262 2,263 1,267 9,270 1694,271 19.695,272 19.695,273 19.695,274 19.695,275 19.695,276 17.132,277 21.458,278 11.76,279 20.184,280 15.828,281 15.828,282 15.828,283 15.828,284 15.828,285 11.886,286 24.562,287 5.659,288 16.68,289 3.906,290 1.877,291 0.998,292 0.515,293 0.423,294 0.385,295 4.118,297 1,299 1,300 1,301 760,302 4.243,305 93.487,306 230.218,313 1.742,314 41.217,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 65.833,326 362,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.223,337 3.6,338 5.833,339 3.849,340 2.858,341 3.86,342 0.522,343 8.483,344 2.836,345 3.909,346 3.059,347 5.415,348 3.465,349 2.531,350 3.467,352 7.207,353 2.366,354 3.835,355 2.898,356 5.15,357 3.315,358 2.401,359 3.393,361 6.323,362 2.247,363 3.569,364 2.705,365 5.037,366 3.261,367 2.262,368 2.757,370 6.105,371 2.157,372 3.35,373 2.403,374 4.866,375 3.026,376 2.034,377 2.595,379 5.612,380 2.007,381 3.292,382 2.158,383 4.727,384 2.912,385 1.923,386 2.529,388 4.974,389 1.892,390 3.08,391 1.883,392 4.586,393 2.575,394 1.64,395 2.289,397 4.754,398 1.463,399 2.573,400 1.317,401 3.52,402 2.093,403 1.16,404 1.602,406 2.562,407 1.079,408 2.5,409 1.208,410 3.42,411 2.029,412 1.076,413 1.5,415 2.42,416 1.019,417 2.253,418 1.05,419 3.414,420 2,421 1,422 1.214,424 2.275,425 1,426 2.118,427 1,428 3,429 1.559,430 0.618,431 0.927,433 1.372,434 0.577,435 1.779,436 0.618,437 3,438 1.554,439 0.554,440 0.636,442 1.25,443 0.551,444 1.188,445 0.615,446 2.979,447 0.903,448 -0.061,449 -0.069,451 -0.155,452 -0.055,453 1.122,454 0.417,455 2.746,456 0.823,457 -0.141,458 -0.177,460 -0.403,461 -0.134,462 14.581,463 0.486,464 0.857,465 0.029,466 39.25,467 1.308,468 20.5,469 0.683,470 18.75,471 0.625,472 24.664,473 0.822,474 32.819,475 0.631,476 30.995,477 1.033,478 7.676,479 0.256,480 6.638,481 0.221,482 0.14,483 0.057,484 0.233,487 0.618,488 1.345,489 0.713,490 1.147,491 0.679,492 0.923,493 0.555,494 1.001,495 0.792,496 0.917,497 0.457,498 0.954,499 0.937,500 1.163,501 1.167,502 1.222,503 0.911,504 1.186,505 1.095,506 0.976,507 1.041,508 1.002,509 1.107,510 0.993,511 0.89,512 1.156,513 0.684,514 0.966,515 0.961,516 1.092,517 0.674,518 1.008,519 0.76,520 0.975,521 0.628,522 0.967,523 0.802,524 0.911,525 0.706,526 0.834,527 0.776,528 0.904,529 1.132,530 1.032,531 1.157,532 1.116,533 1.148,534 1.045,535 8,536 0.251,537 2.889,538 2.035,539 1.151,540 1.007,541 0.621,542 0.464,543 0.35,544 0.302,545 12025,546 42523,547 2.004,548 42.3,549 2,550 11,551 1,552 2,553 2,554 2,555 2,558 1.73,559 1.865,560 3.548,561 0.276,563 1,567 93.322,568 1.795,569 3.824,570 4.702,571 5.186,572 5.277,573 5.316,574 2.921,575 4.282,576 4.878,577 3.748,578 1630.5,579 8.521,580 23832.9,582 1,585 296.423,586 1.549,587 4.824,588 0.25,589 0.008,590 0.066,591 0.051,592 0.03,593 0.027,594 0.016,595 0.013,596 0.01,597 0.009,598 0.48,599 0.33,600 1,601 1.085,602 156.233,603 0.018,604 -0.148,605 0.128,606 -0.058,607 -0.112,608 0.023,609 0.216,610 0.131,611 0.004,612 0.045,613 0.26,614 -0.026,615 -0.124,616 -0.15,617 -0.177,618 -0.158,619 -0.086,620 -0.181,621 -0.157,622 -0.009,623 -0.097,625 -0.11,626 0.006,627 -0.079,628 -0.168,629 0.042,630 -0.054,631 -0.086,632 -0.12,633 0.116,634 -0.039,635 0.118,636 -0.028,637 0.12,638 0.039,639 -0.013,640 0.052,641 0.108,642 0.075,643 -0.012,644 0.095,645 -0.107,646 -0.036,647 -0.138,648 -0.084,649 -0.133,650 -0.06,651 4.545,652 5.427,653 0.567,654 32.231,655 1.016,656 1.122,657 2.64,658 6.968,659 0.691,660 3.497,661 3.807,662 3.951,663 4.143,664 4.277,665 4.369,666 4.394,667 4.443,668 4.522,669 4.554,670 7.379,671 0.658,672 447.98,673 3.497,674 5.03,675 5.838,676 6.698,677 7.525,678 8.389,679 9.223,680 10.089,681 10.927,682 11.795,683 5.8,685 1,691 1,693 1,699 10,700 1,704 5,705 1,706 17,723 1,724 52,726 20,727 2,728 32,730 54,731 21,733 15,734 5,735 7,739 3,740 3,741 1,751 3,753 16,754 5,756 3,760 1,761 3,765 1,769 1,772 22,773 6,774 2,775 9,776 2,778 1,779 3,784 1,785 4,801 1,802 2,818 1,830 1,832 3,834 1,837 1,840 30,844 1,845 1,846 5,847 1,861 1,862 7.7,864 1,865 3,869 16.083,870 8.993,871 6.542,872 2.925,874 2.679,875 1.375,876 0.962,877 7.536,878 9.832,879 3.795,880 4.398,881 4.815,882 5.307,883 5.685,884 5.907,885 6.091,886 6.266,887 6.572,888 6.781,889 0.875,890 40,891 11.32,893 5.017,894 8.068,895 20.798,897 17.001,899 2.568,900 77.028,903 1,904 235.422,905 126.188,906 35.09,907 39.149,908 112.141,910 5.807,911 120.38,912 386.712,913 35.09,915 11.815,916 97.594,917 161.997,918 25.555,919 11.771,920 200.109,921 39.149,922 235.422,923 155.47,924 112.141,925 44.956,927 211.88,928 135.683,931 47.785,932 90.899,933 61.742,935 235.422,936 147.231,937 165.336,939 5.807,940 235.422,941 27.333,942 94.946,943 16.405,944 168.075,945 235.422,946 147.231,947 165.336,949 0.581,950 0.307,951 0.153,952 0.081,953 19,954 9,955 0.185,956 10,958 1,959 4.176,960 249.07,962 17,963 141.207,967 1,968 22.35,969 10.116,970 6.859,972 145.332,973 17.145,974 4.034,978 3.476,979 1.92,980 59.088,981 547.989,982 43.5,986 -3.629,987 35.793,991 -0.854,994 52.851,995 58.349,996 0.315,997 0.671,998 0.825,999 0.91,1000 0.926,1001 0.933,1002 5.019,1003 1.64,1004 5.844,1005 4.974,1006 4.489,1007 5.085,1008 2.313,1009 6.627,1010 4.39,1011 6.249,1012 1.16,1013 7.393,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 3.995,1020 7.582,1021 1.076,1022 9.056,1023 2.562,1024 6.107,1025 7.346,1026 3.632,1027 10.717,1028 5.896,1029 8.956,1030 1,1031 10.793,1032 2.42,1033 6.621,1034 8.187,1035 4.112,1036 12.733,1037 6.275,1038 10.366,1039 0.618,1040 12.585,1041 2.275,1042 8.047,1043 9.954,1044 5.202,1045 15.346,1046 7.689,1047 11.802,1048 0.554,1049 14.419,1050 1.372,1051 8.929,1052 11.164,1053 5.889,1054 17.699,1055 8.431,1056 13.261,1057 -0.061,1058 16.287,1059 1.25,1060 10.188,1061 12.77,1062 6.849,1063 20.232,1064 9.653,1065 3.374,1066 -0.141,1067 18.181,1068 -0.155,1069 11.243,1070 14.153,1071 7.625,1072 22.696,1073 10.577,1074 2.858,1075 12.404,1076 20.097,1077 -0.403,1078 12.45,1079 15.705,1080 8.526,1081 25.215,1082 11.72,1083 2.531,1084 8.483,1085 22.029,1086 4.697,1087 13.585,1088 17.17,1089 9.342,1090 27.714,1091 12.733,1092 2.401,1093 7.207,1094 23.975,1095 3.86,1096 14.781,1097 18.707,1098 10.216,1099 30.23,1100 13.846,1101 2.262,1102 6.323,1103 25.93,1104 3.467,1105 15.953,1106 20.211,1107 11.051,1108 32.742,1109 14.905,1110 2.034,1111 6.105,1112 27.893,1113 3.393,1114 17.15,1115 21.746,1116 11.912,1117 35.258,1118 16.008,1119 1.923,1120 5.612,1121 29.862,1122 2.757,1123 18.341,1124 23.269,1125 12.755,1126 37.774,1127 17.089,1128 11783,1129 22333,1130 20.86,1131 35.955,1132 47.307,1133 48.642,1134 47.484,1135 47.077,1136 46.862,1137 62.929,1138 5.725,1139 131.481,1140 44.514,1141 5.749,1142 6.683,1143 6.907,1144 5.345,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 16.457,1151 1.478,1152 1.52,1153 1.484,1154 1.471,1155 1.464,1156 1.967,1157 0.179,1158 4.109,1159 1.391,1160 4.087,1161 4.091,1162 4.736,1163 4.068,1164 7.717,1165 3.99,1166 4.002,1167 4.017,1168 3.961,1169 3.934,1170 7.474,1171 3.919,1172 3.843,1173 3.896,1174 3.924,1175 3.658,1176 6.999,1177 3.684,1178 3.666,1179 3.686,1180 3.78,1181 3.582,1182 6.351,1183 3.521,1184 3.575,1185 3.589,1186 3.495,1187 3.41,1188 4.964,1189 3.408,1190 3.334,1191 3.362,1192 3.247,1193 3.202,1194 4.925,1195 3.18,1196 3.11,1197 3.152,1198 3.142,1199 2.92,1200 4.682,1201 2.931,1202 2.894,1203 2.956,1204 2.994,1205 2.735,1206 4.267,1207 2.715,1208 0.151,1209 0.146,1210 0.228,1211 0.134,1212 0.105,1213 4.844,1214 0.147,1215 4.683,1216 0.073,1217 7.293,1218 0.388,1219 4.291,1220 0.096,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.985,1227 1.974,1228 2.093,1229 2.07,1230 1.333,1231 2.09,1232 1.943,1233 1.939,1234 1.953,1235 2.005,1236 1.176,1237 2.04,1238 1.588,1239 1.558,1240 1.799,1241 1.801,1242 1.073,1243 1.793,1244 1.579,1245 1.526,1246 1.759,1247 1.776,1248 1,1249 1.791,1250 1.435,1251 1.419,1252 1.565,1253 1.631,1254 0.714,1255 1.635,1256 1.3,1257 1.248,1258 1.46,1259 1.525,1260 0.517,1261 1.514,1262 1.226,1263 1.187,1264 1.185,1265 1.405,1266 0.43,1267 1.439,1268 0.953,1269 0.915,1270 1.181,1271 1.224,1272 0.257,1273 1.207,1274 4.174,1276 5.485,1277 2.398,1278 6.961,1279 4.443,1280 8.517,1281 6.26,1282 10.119,1285 5.814,1289 8.98,1290 1.751,1291 2.598,1300 34.206,1301 93.322,1302 198.823,1303 244.507,1304 269.668,1305 274.423,1306 276.423,1307 77.436,1308 7.153,1309 101.29,1310 109.67,1311 17,1312 12.346,1313 4.392,1314 3.644,1315 55.192,1316 130,1317 138,1318 0.198,1319 219.515,1320 380.2,1321 527.375,1322 12100,1323 1.9,1324 21.562,1325 0.719,1326 0.591,1327 22.312,1328 17.734,1329 14.315,1330 0.447,1331 0.351,1332 9.401,1333 12.719,1334 9.048,1335 7.475,1336 15.424,1337 11.223,1338 13.5,1339 0.307,1340 0.207,1341 15.232,1342 9.092,1343 9.848,1344 0.193,1345 0.122,1346 11.244,1347 6.223,1348 7.745,1349 0.125,1350 0.068,1351 8.767,1352 4.246,1353 5.673,1354 0.08,1355 0.042,1356 6.632,1357 2.985,1358 0.316,1359 100.967,1360 0.219,1361 28.699,1362 0.532,1363 152,1364 504.043,1365 218.048,1366 536.064,1367 694.79,1368 490,1369 171,1370 437.999,1371 236.666,1372 490.624,1373 700.72,1374 457,1375 7.42} {0 CHEMBL41904,1 1.423,2 22.385,3 7.33,4 53.727,5 197.148,6 7.298,7 0.429,8 4.653,9 4.748,10 4.182,11 4.185,12 5.783,13 4.166,14 5.187,15 5.327,16 4.502,17 4.555,18 6.35,19 4.509,20 5.477,21 5.671,22 4.563,23 4.704,24 6.484,25 4.628,26 5.534,27 5.736,28 4.56,29 4.731,30 6.535,31 4.646,32 5.563,33 5.765,34 4.61,35 4.797,36 6.545,37 4.702,38 5.654,39 5.878,40 4.598,41 4.827,42 6.611,43 4.719,44 5.627,45 5.855,46 4.552,47 4.784,48 6.559,49 4.678,50 5.556,51 5.768,52 4.558,53 4.737,54 6.552,55 4.643,56 0.098,57 1.226,58 20.212,59 9.871,60 24.783,61 11.931,62 0.61,63 1.983,64 37.666,65 16.079,66 92.052,67 20.094,68 0.773,69 2.529,70 54.155,71 21.061,72 109.384,73 27.128,74 0.894,75 2.651,76 58.165,77 22.133,78 120.004,79 28.601,80 0.815,81 2.8,82 58.686,83 23.398,84 107.343,85 30.791,86 0.893,87 3.029,88 66.013,89 25.135,90 129.62,91 33.626,92 0.878,93 2.915,94 64.99,95 24.285,96 119.016,97 32.332,98 0.983,99 2.713,100 59.779,101 22.723,102 107.102,103 29.908,104 50,105 73,106 0.207,107 0.526,108 0.725,109 0.865,110 0.907,111 0.913,112 3.972,113 0.941,114 -5.2,115 -5.1,116 -4.77,118 43.3,120 7,121 1,124 3,126 1,127 1,133 3,134 1,140 14,141 4,142 3,143 2,154 2,163 2,167 2,168 26,169 2,171 1,172 13,175 2,177 4,180 28,181 2,185 1,186 15,191 4,194 25,195 2,198 13,201 1,203 4,206 23,207 2,209 2,210 16,215 3,218 25,219 2,222 15,225 1,227 4,229 24,230 2,234 12,239 5,242 27,243 2,246 3,247 8,248 2,252 4,255 25,256 4,258 2,259 10,260 1,262 3,264 6,267 19,268 4,270 7568,271 35.501,272 35.501,273 35.501,274 35.501,275 35.501,276 31.715,277 32.236,278 21.939,279 35.978,280 27.734,281 27.734,282 27.734,283 27.734,284 27.734,285 22.202,286 32.507,287 10.525,288 28.523,289 5.177,290 2.984,291 1.619,292 0.655,293 0.371,294 0.33,295 4.675,300 1,301 2469,302 5.292,306 1037.44,313 3.278,314 60.458,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,324 0.62,325 113.5,326 1164,327 4.38,328 3.609,329 6.681,330 4.111,331 3.14,332 3.968,333 2.341,334 10.788,335 3.043,336 4.336,337 3.597,338 6.5,339 4.013,340 3.016,341 3.856,342 2.341,343 10.18,344 3.008,345 4.153,346 3.596,347 6.153,348 3.821,349 2.835,350 3.724,351 1.902,352 9.114,353 2.797,354 3.909,355 3.213,356 5.663,357 3.478,358 2.525,359 3.471,360 0.869,361 7.429,362 2.412,363 3.711,364 3.052,365 5.415,366 3.446,367 2.48,368 2.923,369 0.86,370 7.107,371 2.395,372 3.56,373 2.885,374 5.302,375 3.257,376 2.294,377 2.893,378 0.86,379 6.787,380 2.222,381 3.552,382 2.795,383 5.134,384 3.24,385 2.235,386 2.726,387 0.22,388 6.125,389 2.222,390 3.536,391 2.589,392 4.66,393 3.229,394 2.23,395 2.71,397 5.184,398 2.177,399 3.486,400 2.213,401 4.659,402 3.092,403 2.126,404 2.657,406 5.184,407 2.044,408 3.121,409 2.164,410 4.56,411 2.7,412 1.723,413 2.233,415 4.514,416 1.683,417 3.06,418 2.02,419 4.314,420 2.689,421 1.704,422 2.203,424 4.028,425 1.671,426 2.875,427 1.96,428 4.157,429 2.528,430 1.575,431 2.025,433 3.867,434 1.491,435 2.832,436 1.874,437 3.813,438 2.467,439 1.492,440 1.935,442 3.177,443 1.449,444 2.779,445 1.674,446 3.641,447 2.437,448 1.46,449 1.836,451 3.132,452 1.42,453 2.756,454 1.535,455 3.632,456 2.391,457 1.414,458 1.795,460 3.032,461 1.374,462 24.4,463 0.469,464 0.976,465 0.019,466 62.75,467 1.207,468 31,469 0.596,470 31.75,471 0.611,472 53.782,473 1.034,474 57.2,475 0.59,476 58.964,477 1.134,478 12.661,479 0.243,480 12.708,481 0.244,482 0.068,484 0.266,487 0.847,488 1.153,489 0.825,490 1.102,491 0.788,492 0.983,493 0.87,494 1.144,495 0.984,496 1.136,497 0.532,498 1.09,499 1.038,500 1.017,501 1.001,502 1.016,503 0.902,504 1.005,505 1.09,506 0.991,507 1.04,508 0.996,509 0.851,510 1.008,511 0.826,512 1.082,513 0.995,514 1.083,515 0.693,516 1.075,517 0.878,518 1.021,519 0.998,520 1.023,521 0.727,522 1.031,523 0.984,524 0.952,525 0.998,526 0.959,527 0.701,528 0.977,529 0.932,530 0.982,531 0.992,532 1.001,533 0.752,534 1.008,535 8,536 0.334,537 4.667,538 2.5,539 1.951,540 1.354,541 1.029,542 0.656,543 0.583,544 0.489,545 63246,546 178338,547 2.071,548 46.4,549 10,550 24,551 1,552 2,553 3,554 4,556 1,558 1.857,559 1.975,560 4.373,561 0.599,567 138.051,568 1.423,569 3.616,570 4.981,571 5.945,572 6.229,573 6.27,574 3.803,575 5.378,576 5.67,577 4.614,578 6118.33,579 10.076,580 144495,585 640.192,586 1.226,587 5.648,588 0.143,589 0.005,590 0.064,591 0.033,592 0.026,593 0.017,594 0.013,595 0.009,596 0.008,597 0.007,598 0.325,599 0.17,600 0.5,601 1.519,602 327.164,603 -0.058,604 -0.02,605 0.027,606 0.005,607 -0.077,608 0.028,609 0.072,610 -0.07,611 -0.066,612 -0.085,613 0.143,614 -0.099,615 -0.063,616 -0.012,617 -0.031,618 -0.006,619 -0.076,620 -0.011,621 -0.086,622 0.003,623 -0.059,624 0.006,625 -0.065,626 -0.017,627 0.012,628 -0.072,629 -0.045,630 -0.065,631 -0.028,632 -0.066,633 -0.033,634 -0.025,635 -0.028,636 -0.026,637 -0.029,638 -0.025,639 -0.088,640 0.034,641 -0.016,642 0.031,643 -0.051,644 0.024,645 0.008,646 0.009,647 -0.014,648 -0.002,649 -0.038,650 -0.011,651 2.502,652 4.646,653 0.577,654 98.254,655 1.005,656 1.119,657 3.974,658 15.792,659 0.658,660 4.043,661 4.304,662 4.522,663 4.754,664 4.99,665 5.043,666 5.204,667 5.328,668 5.421,669 5.485,670 12.763,671 0.629,672 707.88,673 4.043,674 5.557,675 6.375,676 7.222,677 8.062,678 8.92,679 9.773,680 10.637,681 11.498,682 12.367,683 1,693 1,699 16,700 1,704 7,706 24,721 1,722 2,724 97,726 28,727 3,728 56,730 101,731 42,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 8,753 29,754 13,755 1,756 4,761 2,763 3,765 3,772 45,773 10,774 3,775 10,779 1,784 1,785 9,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 52,845 3,846 10,848 4,850 3,862 9.3,864 3,865 2,866 2,867 2,869 26.333,870 16.633,871 11.75,872 5.86,874 4.096,875 1.454,876 0.926,877 15.163,878 13.116,879 4.29,880 4.787,881 5.252,882 5.746,883 6.245,884 6.336,885 6.682,886 6.961,887 7.222,888 7.492,889 0.933,890 76,891 19.309,893 8.12,894 7.859,895 36.64,897 29.633,899 2.359,900 122.667,904 494.386,905 239.304,906 16.786,908 222.339,911 239.304,912 716.726,913 16.786,915 31.519,916 161.456,917 242.487,918 66.509,919 11.771,920 459.073,922 494.386,923 256.089,924 222.339,927 482.615,928 212.111,929 22,930 0.36,931 49.614,932 160.902,933 45.214,935 494.386,936 239.125,937 239.304,940 494.746,941 59.753,942 179.191,944 239.125,945 494.386,946 239.125,947 239.304,949 0.562,950 0.31,951 0.166,952 0.093,953 28,954 13,955 0.188,956 19,958 1,959 6.096,960 525.553,962 30,963 290.423,968 38.604,969 20.424,970 12.247,972 239.125,973 29.951,974 4.268,978 4.958,980 128.05,981 972.815,982 72,987 21.712,989 5.941,991 -0.573,994 97.487,995 108.517,996 0.216,997 0.548,998 0.755,999 0.901,1000 0.944,1001 0.95,1002 5.501,1003 2.23,1004 6.315,1005 6.125,1006 4.99,1007 5.476,1008 3.368,1009 7.055,1010 4.937,1011 6.657,1012 2.126,1013 7.824,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.3,1020 7.92,1021 1.723,1022 9.437,1023 5.184,1024 6.503,1025 7.51,1026 4.567,1027 10.952,1028 6.407,1029 9.214,1030 1.704,1031 11.119,1032 4.514,1033 6.746,1034 7.869,1035 4.929,1036 12.658,1037 6.636,1038 10.543,1039 1.575,1040 12.848,1041 4.028,1042 8.298,1043 9.83,1044 6.048,1045 15.264,1046 8.166,1047 11.894,1048 1.492,1049 14.61,1050 3.867,1051 8.972,1052 10.606,1053 6.678,1054 17.341,1055 8.825,1056 13.265,1057 1.46,1058 16.397,1059 3.177,1060 10.269,1061 12.308,1062 7.64,1063 19.779,1064 10.103,1065 3.14,1066 1.414,1067 18.202,1068 3.132,1069 11.165,1070 13.317,1071 8.387,1072 22.012,1073 10.982,1074 3.016,1075 10.788,1076 20.022,1077 3.032,1078 12.349,1079 14.876,1080 9.283,1081 24.392,1082 12.148,1083 2.835,1084 10.18,1085 21.853,1086 3.968,1087 13.357,1088 16.023,1089 10.083,1090 26.692,1091 13.138,1092 2.525,1093 9.114,1094 23.693,1095 3.856,1096 14.496,1097 17.498,1098 10.951,1099 29.053,1100 14.258,1101 2.48,1102 7.429,1103 25.541,1104 3.724,1105 15.56,1106 18.728,1107 11.776,1108 31.383,1109 15.303,1110 2.294,1111 7.107,1112 27.394,1113 3.471,1114 16.682,1115 20.155,1116 12.633,1117 33.739,1118 16.406,1119 2.235,1120 6.787,1121 29.252,1122 2.923,1123 17.775,1124 21.434,1125 13.47,1126 36.083,1127 17.477,1128 60571,1129 101855,1130 37.849,1131 63.847,1132 82.066,1133 83.183,1134 82.591,1135 81.123,1136 81.102,1137 102.884,1138 18.785,1139 217.097,1140 78.802,1141 5.38,1142 5.609,1143 6.483,1144 5.209,1145 5.14,1146 6.968,1147 3.925,1148 17.867,1149 5.043,1150 25.123,1151 1.465,1152 1.485,1153 1.475,1154 1.449,1155 1.448,1156 1.837,1157 0.335,1158 3.877,1159 1.407,1160 4.041,1161 4.064,1162 3.98,1163 3.962,1164 7.477,1165 3.962,1166 3.971,1167 3.993,1168 3.917,1169 3.895,1170 7.472,1171 3.897,1172 3.888,1173 3.909,1174 3.83,1175 3.822,1176 6.469,1177 3.82,1178 3.802,1179 3.834,1180 3.738,1181 3.707,1182 6.352,1183 3.709,1184 3.764,1185 3.804,1186 3.657,1187 3.661,1188 6.35,1189 3.652,1190 3.724,1191 3.774,1192 3.599,1193 3.586,1194 4.957,1195 3.577,1196 3.63,1197 3.66,1198 3.529,1199 3.457,1200 4.897,1201 3.464,1202 3.502,1203 3.541,1204 3.394,1205 3.321,1206 4.821,1207 3.33,1208 0.078,1209 0.064,1210 0.119,1211 0.073,1212 0.056,1213 4.38,1214 0.071,1215 3.609,1216 0.042,1217 6.681,1218 0.193,1219 4.111,1220 0.054,1221 3.14,1222 3.968,1223 2.341,1224 10.788,1225 3.043,1226 1.973,1227 1.951,1228 2.075,1229 2.068,1230 1.366,1231 2.065,1232 1.946,1233 1.927,1234 2.065,1235 2.052,1236 1.326,1237 2.059,1238 1.881,1239 1.861,1240 1.991,1241 1.974,1242 1.152,1243 1.98,1244 1.783,1245 1.752,1246 1.95,1247 1.907,1248 1.147,1249 1.917,1250 1.763,1251 1.722,1252 1.948,1253 1.897,1254 1.112,1255 1.914,1256 1.717,1257 1.665,1258 1.897,1259 1.886,1260 1.013,1261 1.897,1262 1.583,1263 1.545,1264 1.799,1265 1.783,1266 0.981,1267 1.784,1268 1.451,1269 1.409,1270 1.702,1271 1.678,1272 0.917,1273 1.685,1274 4.727,1276 6.004,1278 7.468,1280 9.024,1282 10.634,1289 28.484,1290 4.501,1292 24.617,1294 -1.191,1300 61.044,1301 138.051,1302 350.752,1303 483.14,1304 576.682,1305 604.192,1306 608.192,1307 140.257,1308 9.02,1309 144.64,1310 144.64,1311 30,1312 12.913,1313 4.858,1314 4.087,1315 96.785,1316 406,1317 396,1318 0.112,1319 372.604,1320 677.63,1321 900.914,1322 146758,1324 36.547,1325 0.703,1326 0.558,1327 36.547,1328 29.011,1329 25.368,1330 0.453,1331 0.314,1332 17.346,1333 24.426,1334 17.053,1335 14.077,1336 25.368,1337 17.572,1338 21.906,1339 0.3,1340 0.171,1341 21.906,1342 12.473,1343 17.209,1344 0.189,1345 0.095,1346 17.209,1347 8.616,1348 14.052,1349 0.122,1350 0.052,1351 14.052,1352 5.992,1353 11.582,1354 0.079,1355 0.028,1356 11.582,1357 4.152,1358 0.187,1359 159.137,1360 0.163,1361 45.63,1362 0.282,1363 258,1364 812.507,1365 285.405,1366 762.974,1367 1014.34,1368 714,1369 293,1370 708.385,1371 317.533,1372 709.594,1373 1031.62,1374 669,1375 7.398} {0 CHEMBL41908,1 1.505,2 14.258,3 3.045,4 9.271,5 117.631,6 7.196,7 0.515,8 4.161,9 4.265,10 3.693,11 3.634,12 5.256,13 3.627,14 4.703,15 4.866,16 3.965,17 3.964,18 5.771,19 3.94,20 4.855,21 5.036,22 3.968,23 4.063,24 5.876,25 3.997,26 4.955,27 5.172,28 3.9,29 4.037,30 5.95,31 3.955,32 4.93,33 5.157,34 3.847,35 4.012,36 5.866,37 3.924,38 4.866,39 5.09,40 3.846,41 4.041,42 5.763,43 3.933,44 4.94,45 5.183,46 3.846,47 4.053,48 5.863,49 3.938,50 4.856,51 5.097,52 3.82,53 4.029,54 5.721,55 3.928,56 0.031,57 0.788,58 12.616,59 5.649,60 9.626,61 7.164,62 0.51,63 1.205,64 24.834,65 8.637,66 41.478,67 11.061,68 0.492,69 1.353,70 28.984,71 10.722,72 42.867,73 14.039,74 0.537,75 1.414,76 33.482,77 11.332,78 61.986,79 15.196,80 0.596,81 1.376,82 33.105,83 10.997,84 59.976,85 14.866,86 0.436,87 1.392,88 29.664,89 10.927,90 40.541,91 15.238,92 0.613,93 1.454,94 33.049,95 11.356,96 59.681,97 16.11,98 0.406,99 1.386,100 29.915,101 10.443,102 39.096,103 14.771,104 16,105 42,106 0.245,107 0.567,108 0.772,109 0.833,110 0.86,111 0.86,112 3.471,113 0.929,114 -3.63,115 -3.6,116 -3.43,118 40.7,119 1,123 1,124 5,126 1,140 8,141 3,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 7,180 10,185 2,186 10,194 5,197 1,198 10,206 1,209 1,210 6,218 2,221 2,222 7,229 2,233 2,234 9,242 2,247 7,255 4,258 1,259 5,267 8,270 2119,271 21.378,272 21.378,273 21.378,274 21.378,275 21.378,276 19.217,277 24.247,278 13.102,279 22.167,280 16.203,281 16.203,282 16.203,283 16.203,284 16.203,285 12.931,286 25.344,287 6.096,288 17.242,289 4.377,290 2.399,291 1.144,292 0.771,293 0.602,294 0.602,295 4.156,299 1,300 1,301 925,302 4.183,305 109.584,306 253.503,313 2.106,314 28.193,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68,326 442,327 4.188,328 3.658,329 6.028,330 3.816,331 2.824,332 3.767,333 1.674,334 8.586,335 2.795,336 4.035,337 3.061,338 5.592,339 3.633,340 2.69,341 3.635,342 1.151,343 7.725,344 2.582,345 3.957,346 2.924,347 5.479,348 3.592,349 2.642,350 3.49,351 1.151,352 7.335,353 2.462,354 3.733,355 2.729,356 5.315,357 3.379,358 2.411,359 3.07,360 0.86,361 6.869,362 2.336,363 3.492,364 2.655,365 5.112,366 3.168,367 2.238,368 2.767,370 6.284,371 2.072,372 3.349,373 2.423,374 5.019,375 3.085,376 2.145,377 2.41,379 6.05,380 1.997,381 2.897,382 2.019,383 4.195,384 2.502,385 1.567,386 1.961,388 3.849,389 1.448,390 2.582,391 1.831,392 3.506,393 2.142,394 1.252,395 1.61,397 2.711,398 1.112,399 2.5,400 1.777,401 3.417,402 2,403 1.127,404 1.5,406 2.476,407 1,408 2.5,409 1.32,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.256,418 1.166,419 3.414,420 1.997,421 1,422 1.241,424 2.275,425 0.971,426 2.118,427 1,428 3.119,429 1.843,430 0.876,431 0.991,433 1.579,434 0.832,435 2.081,436 1,437 3,438 1.554,439 0.618,440 0.927,442 1.372,443 0.577,444 1.767,445 0.965,446 2.878,447 1.512,448 0.613,449 0.682,451 1.218,452 0.542,453 1.633,454 0.618,455 2.78,456 1.366,457 0.484,458 0.539,460 0.835,461 0.422,462 14.467,463 0.467,464 0.499,465 0.016,466 38,467 1.226,468 18,469 0.581,470 20,471 0.645,472 25.203,473 0.813,474 34.733,475 0.589,476 29.674,477 0.957,478 8.097,479 0.261,480 7.076,481 0.228,482 0.092,484 0.235,487 0.83,488 1.466,489 0.801,490 1.3,491 0.667,492 1.085,493 1.365,494 0.916,495 1.042,496 0.89,497 0.874,498 0.895,499 1.095,500 1.117,501 1.08,502 1.159,503 0.86,504 1.127,505 1.249,506 1.034,507 1.08,508 1.069,509 1.327,510 1.049,511 1.266,512 0.912,513 1.051,514 0.92,515 1.32,516 0.944,517 0.702,518 1.133,519 0.982,520 1.143,521 0.535,522 1.121,523 0.77,524 1.007,525 0.938,526 0.97,527 0.713,528 0.983,529 0.857,530 0.949,531 0.924,532 0.891,533 0.613,534 0.91,535 5.5,536 0.16,537 2.667,538 1.097,539 0.919,540 0.723,541 0.394,542 0.267,543 0.273,544 0.197,545 14224,546 39600,547 2.05,548 47.5,550 22,551 1,552 2,555 3,558 1.737,559 1.958,560 3.762,561 -0.767,563 1,567 88.821,568 1.505,569 3.484,570 4.738,571 5.111,572 5.281,573 5.281,574 3.245,575 4.478,576 4.921,577 3.946,578 1834.69,579 8.601,580 28443.4,582 1,584 1,585 347.076,586 1.191,587 4.904,588 0.167,589 0.005,590 0.063,591 0.027,592 0.026,593 0.021,594 0.011,595 0.008,596 0.008,597 0.005,598 0.341,599 0.33,600 0.88,601 1.061,602 165.548,603 -0.014,604 -0.271,605 0.07,606 -0.172,607 -0.028,608 -0.057,609 -0.118,610 0.166,611 -0.053,612 0.113,613 -0.015,614 0.056,615 -0.016,616 -0.096,617 -0.112,618 -0.136,619 0.01,620 -0.142,621 -0.107,622 -0.074,623 -0.075,624 -0.094,625 -0.078,626 -0.08,627 -0.129,628 0.037,629 -0.039,630 0.048,631 -0.151,632 0.024,633 0.079,634 -0.122,635 -0.038,636 -0.133,637 0.035,638 -0.113,639 0.083,640 -0.033,641 0.035,642 0.009,643 0.066,644 0.012,645 -0.077,646 0.06,647 0.033,648 0.096,649 -0.04,650 0.089,651 1.986,652 4.785,653 0.548,654 37.615,655 1.006,656 1.126,657 2.4,658 5.761,659 0.647,660 3.526,661 3.761,662 3.951,663 4.094,664 4.205,665 4.22,666 4.248,667 4.263,668 4.369,669 4.443,670 8.232,671 0.618,672 424.54,673 3.526,674 5.017,675 5.82,676 6.642,677 7.458,678 8.283,679 9.102,680 9.929,681 10.75,682 11.577,683 3.4,691 1,693 1,699 11,700 1,704 4,705 1,706 17,715 1,722 1,724 59,726 18,727 2,728 33,730 61,731 24,733 15,734 4,735 8,736 1,739 3,740 3,745 1,751 1,753 16,754 8,756 1,761 1,765 1,769 1,772 28,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 2,831 2,832 3,836 2,840 31,846 5,848 4,850 1,862 8.5,865 1,866 2,867 2,869 15.833,870 10.983,871 7.194,872 3.415,874 2.103,875 1.298,876 0.933,877 9.096,878 9.172,879 3.773,880 4.266,881 4.744,882 5.184,883 5.521,884 5.541,885 5.633,886 5.593,887 5.838,888 6.086,889 0.9,890 40,891 11.441,893 4.607,894 7.731,895 21.814,897 16.84,899 2.231,900 69.167,903 1,904 329.591,905 164.698,906 18.685,908 69.144,911 164.698,912 398.735,913 18.685,914 19.708,915 20.475,916 84.857,917 103.282,918 47.746,919 11.771,920 294.278,922 329.591,923 183.383,924 69.144,927 294.278,928 82.458,929 22,931 48.866,932 117.732,933 16.786,935 329.591,936 87.829,937 164.698,940 329.591,941 42.467,942 124.131,944 85.93,945 329.591,946 87.829,947 164.698,949 0.556,950 0.318,951 0.162,952 0.08,953 16,954 7,955 0.213,956 13,958 1,959 4.44,960 249.125,962 17,963 145.58,968 23.01,969 12.255,970 7.511,972 85.93,973 20.438,974 4.09,978 3.387,979 1.964,981 582.118,982 42.5,987 11.785,991 -0.32,994 59.327,995 66.441,996 0.256,997 0.592,998 0.805,999 0.869,1000 0.898,1001 0.898,1002 4.958,1003 1.252,1004 5.746,1005 3.849,1006 4.443,1007 4.952,1008 2.594,1009 6.431,1010 4.335,1011 6.103,1012 1.127,1013 7.226,1014 2.711,1015 3.761,1016 4.46,1018 7.066,1019 3.657,1020 7.357,1021 1,1022 8.799,1023 2.476,1024 5.922,1025 7.002,1026 3.212,1027 10.063,1028 5.734,1029 8.644,1030 1,1031 10.425,1032 2.275,1033 6.089,1034 7.36,1036 11.504,1037 5.901,1038 9.962,1039 0.876,1040 12.086,1041 2.275,1042 7.63,1043 9.305,1044 4.011,1045 13.953,1046 7.383,1047 11.3,1048 0.618,1049 13.77,1050 1.579,1051 8.192,1052 10.056,1054 15.733,1055 7.939,1056 12.651,1057 0.613,1058 15.468,1059 1.372,1060 9.459,1061 11.73,1062 4.923,1063 17.979,1064 9.164,1065 2.824,1066 0.484,1067 17.178,1068 1.218,1069 10.225,1070 12.693,1072 19.923,1073 9.919,1074 2.69,1075 8.586,1076 18.896,1077 0.835,1078 11.359,1079 14.223,1080 5.898,1081 22.087,1082 11.024,1083 2.642,1084 7.725,1085 20.621,1086 3.767,1087 12.235,1088 15.31,1090 24.115,1091 11.887,1092 2.411,1093 7.335,1094 22.352,1095 3.635,1096 13.304,1097 16.757,1098 6.902,1099 26.249,1100 12.935,1101 2.238,1102 6.869,1103 24.088,1104 3.49,1105 14.24,1106 17.921,1108 28.323,1109 13.858,1110 2.145,1111 6.284,1112 25.828,1113 3.07,1114 15.278,1115 19.317,1116 7.92,1117 30.447,1118 14.88,1119 1.567,1120 6.05,1121 27.572,1122 2.767,1123 16.248,1124 20.531,1126 32.546,1127 15.838,1128 13898,1129 23306,1130 22.246,1131 38.182,1132 47.538,1133 48.472,1134 48.178,1135 46.907,1136 46.974,1137 60.182,1138 9.672,1139 122.878,1140 44.297,1141 5.118,1142 5.658,1143 5.798,1144 4.904,1145 4.824,1146 6.767,1147 3.349,1148 14.48,1149 4.795,1150 13.719,1151 1.441,1152 1.469,1153 1.46,1154 1.421,1155 1.423,1156 1.824,1157 0.293,1158 3.724,1159 1.342,1160 3.986,1161 4.028,1162 3.922,1163 3.889,1164 7.433,1165 3.89,1166 3.915,1167 3.948,1168 3.856,1169 3.842,1170 4.964,1171 3.841,1172 3.901,1173 3.933,1174 3.841,1175 3.712,1176 4.878,1177 3.74,1178 3.584,1179 3.616,1180 3.485,1181 3.362,1182 4.756,1183 3.383,1184 3.516,1185 3.567,1186 3.386,1187 3.296,1188 4.601,1189 3.303,1190 3.322,1191 3.367,1192 3.181,1193 3.098,1194 4.457,1195 3.109,1196 3.226,1197 3.272,1198 3.072,1199 3.04,1200 4.385,1201 3.042,1202 3.077,1203 3.146,1204 2.88,1205 2.823,1206 4.236,1207 2.816,1208 0.127,1209 0.111,1210 0.183,1211 0.116,1212 0.086,1213 4.188,1214 0.114,1215 3.658,1216 0.051,1217 6.028,1218 0.26,1219 3.816,1220 0.085,1221 2.824,1222 3.767,1223 1.674,1224 8.586,1225 2.795,1226 1.922,1227 1.903,1228 2.031,1229 2.025,1230 1.209,1231 2.025,1232 1.899,1233 1.878,1234 2.014,1235 1.999,1236 1.143,1237 2.003,1238 1.683,1239 1.631,1240 1.866,1241 1.905,1242 1.116,1243 1.895,1244 1.487,1245 1.428,1246 1.8,1247 1.742,1248 0.937,1249 1.758,1250 1.366,1251 1.315,1252 1.597,1253 1.626,1254 0.702,1255 1.612,1256 1.282,1257 1.22,1258 1.551,1259 1.532,1260 0.629,1261 1.538,1262 1.241,1263 1.193,1264 1.454,1265 1.516,1266 0.593,1267 1.504,1268 1.168,1269 1.107,1270 1.432,1271 1.423,1272 0.516,1273 1.425,1274 4.205,1276 5.46,1277 2.398,1278 6.893,1279 4.443,1280 8.403,1281 6.26,1282 9.953,1284 3.436,1290 2.321,1292 22.221,1294 -0.155,1300 36.465,1301 88.821,1302 205.535,1303 279.566,1304 301.566,1305 311.566,1306 311.566,1307 57.622,1308 7.069,1309 71.81,1310 71.81,1311 17,1312 12.154,1313 4.248,1314 3.392,1315 58.208,1316 145,1317 168,1318 0.179,1319 226.03,1320 396.17,1321 543.272,1322 10989,1324 21.891,1325 0.706,1326 0.577,1327 21.891,1328 17.899,1329 15.173,1330 0.46,1331 0.31,1332 10.007,1333 14.366,1334 9.735,1335 8.109,1336 15.173,1337 10.217,1338 12.602,1339 0.3,1340 0.166,1341 12.602,1342 6.973,1343 10.333,1344 0.203,1345 0.091,1346 10.333,1347 4.656,1348 7.93,1349 0.134,1350 0.05,1351 7.93,1352 2.979,1353 5.65,1354 0.086,1355 0.029,1356 5.65,1357 1.894,1358 0.291,1359 96.662,1360 0.212,1361 29.943,1362 0.468,1363 150,1364 505.968,1365 168.692,1366 465.968,1367 620.4,1368 440,1369 168,1370 427.748,1371 186.974,1372 432.247,1373 621.8,1374 401,1375 5.276} {0 CHEMBL41945,1 1.429,2 19.289,3 6.018,4 36.221,5 170.524,6 7.16,7 0.375,8 4.527,9 4.626,10 4.035,11 4.047,12 5.65,13 4.025,14 5.067,15 5.215,16 4.35,17 4.421,18 6.226,19 4.366,20 5.371,21 5.576,22 4.397,23 4.571,24 6.347,25 4.486,26 5.425,27 5.633,28 4.401,29 4.601,30 6.43,31 4.504,32 5.439,33 5.655,34 4.43,35 4.663,36 6.375,37 4.555,38 5.538,39 5.768,40 4.436,41 4.681,42 6.493,43 4.565,44 5.519,45 5.759,46 4.361,47 4.615,48 6.43,49 4.498,50 5.423,51 5.65,52 4.341,53 4.531,54 6.39,55 4.431,56 0.09,57 1.098,58 18.426,59 8.804,60 23.453,61 10.823,62 0.557,63 1.77,64 34.199,65 14.349,66 88.163,67 18.362,68 0.65,69 2.248,70 49.521,71 18.732,72 103.754,73 24.607,74 1.064,75 2.341,76 53.132,77 19.56,78 121.046,79 25.807,80 0.509,81 2.477,82 52.156,83 20.766,84 92.268,85 27.994,86 0.794,87 2.657,88 59.284,89 22.003,90 121.852,91 29.977,92 0.796,93 2.547,94 59.226,95 21.214,96 115.712,97 28.905,98 0.869,99 2.295,100 53.694,101 19.209,102 105.775,103 25.794,104 50,105 62,106 0.214,107 0.544,108 0.749,109 0.88,110 0.911,111 0.914,112 3.831,113 0.961,114 -4.57,115 -4.49,116 -4.23,118 41.9,120 8,121 1,124 2,126 1,127 1,133 3,134 1,140 10,141 3,142 2,143 2,154 2,163 2,167 2,168 22,169 2,171 1,172 12,175 2,177 4,180 24,181 2,186 9,191 4,194 23,195 2,197 2,198 10,201 1,203 4,206 25,207 2,210 10,215 3,218 23,219 2,222 17,225 1,227 4,229 19,230 2,234 14,239 3,242 14,243 2,246 1,247 10,248 2,250 1,252 3,255 14,256 4,258 2,259 9,260 1,262 2,264 5,267 14,268 4,270 4995,271 30.57,272 30.57,273 30.57,274 30.57,275 30.57,276 27.484,277 26.047,278 18.957,279 30.903,280 23.763,281 23.763,282 23.763,283 23.763,284 23.763,285 19.299,286 24.132,287 9.093,288 24.32,289 4.997,290 2.796,291 1.43,292 0.552,293 0.349,294 0.326,295 4.527,300 1,301 1819,302 5.099,306 727.905,313 2.727,314 54.388,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 98.5,326 868,327 4.38,328 3.597,329 6.671,330 4.088,331 3.118,332 3.968,333 2.341,334 10.746,335 3.018,336 4.322,337 3.596,338 6.5,339 4.013,340 3.016,341 3.853,342 2.341,343 10.18,344 3.008,345 3.91,346 3.521,347 5.708,348 3.534,349 2.566,350 3.471,351 1.465,352 7.61,353 2.481,354 3.726,355 3.053,356 5.417,357 3.47,358 2.51,359 2.923,360 0.86,361 7.111,362 2.409,363 3.558,364 2.98,365 5.25,366 3.258,367 2.259,368 2.833,369 0.811,370 6.607,371 2.246,372 3.552,373 2.822,374 5.13,375 3.24,376 2.235,377 2.719,379 6.119,380 2.222,381 3.536,382 2.512,383 4.659,384 3.22,385 2.22,386 2.71,388 5.184,389 2.204,390 3.302,391 2.207,392 4.659,393 3.083,394 2.114,395 2.339,397 5.183,398 2.038,399 3.09,400 2.157,401 4.542,402 2.692,403 1.705,404 2.227,406 4.437,407 1.679,408 3.049,409 1.96,410 4.157,411 2.673,412 1.692,413 2.167,415 3.866,416 1.654,417 2.867,418 1.935,419 3.825,420 2.469,421 1.491,422 2.014,424 3.199,425 1.454,426 2.799,427 1.633,428 3.638,429 2.448,430 1.475,431 1.847,433 3.125,434 1.43,435 2.756,436 1.535,437 3.634,438 2.391,439 1.414,440 1.795,442 3.032,443 1.374,444 2.5,445 1.469,446 3.575,447 2.119,448 1.178,449 1.5,451 2.625,452 1.099,453 2.5,454 1.395,455 3.478,456 2.012,457 1.024,458 1.5,460 2.529,461 1.006,462 21.067,463 0.468,464 0.856,465 0.019,466 51.75,467 1.15,468 24.5,469 0.544,470 27.25,471 0.606,472 46.935,473 1.043,474 50.333,475 0.585,476 46.394,477 1.031,478 10.33,479 0.23,480 11.572,481 0.257,482 0.079,484 0.261,487 0.845,488 1.181,489 0.849,490 1.127,491 0.783,492 1.011,493 0.794,494 1.175,495 0.987,496 1.17,497 0.499,498 1.124,499 1.069,500 1.002,501 1.01,502 1.001,503 0.901,504 0.997,505 1.038,506 0.943,507 1.062,508 0.956,509 0.825,510 1.006,511 0.764,512 1.108,513 0.971,514 1.107,515 0.668,516 1.085,517 0.861,518 1.058,519 1.006,520 1.059,521 0.709,522 1.06,523 0.985,524 0.984,525 1.003,526 0.991,527 0.71,528 0.998,529 1.023,530 0.961,531 0.989,532 0.975,533 0.738,534 0.976,535 7,536 0.314,537 4,538 2.25,539 1.649,540 1.16,541 0.785,542 0.477,543 0.529,544 0.436,545 40212,546 115739,547 2.045,548 47.7,549 10,550 18,551 1,552 2,553 3,554 4,556 1,557 2,558 1.826,559 1.942,560 4.163,561 0.66,567 122.882,568 1.429,569 3.63,570 4.996,571 5.874,572 6.077,573 6.101,574 3.583,575 5.014,576 5.459,577 4.399,578 4355.32,579 9.67,580 90515.5,585 552.659,586 1.258,587 5.436,588 0.146,589 0.006,590 0.065,591 0.035,592 0.026,593 0.018,594 0.012,595 0.008,596 0.009,597 0.007,598 0.332,599 0.17,600 0.75,601 1.672,602 270.372,603 -0.063,604 -0.014,605 0.02,606 0.013,607 -0.073,608 0.03,609 0.104,610 -0.083,611 -0.064,612 -0.099,613 0.159,614 -0.111,615 -0.11,616 0.002,617 -0.039,618 0.012,619 -0.091,620 0.002,621 -0.018,622 0.051,623 -0.077,624 0.046,625 -0.048,626 -0.016,627 -0.033,628 -0.09,629 -0.036,630 -0.077,631 -0.034,632 -0.061,633 -0.024,634 -0.062,635 -0.04,636 -0.063,637 -0.023,638 -0.055,639 -0.079,640 -0.011,641 -0.017,642 -0.012,643 -0.053,644 -0.003,645 -0.028,646 0.013,647 0.005,648 0.007,649 -0.032,650 0.012,651 2.495,652 4.53,653 0.533,654 75.111,655 1.005,656 1.122,657 3.338,658 11.14,659 0.65,660 3.892,661 4.143,662 4.344,663 4.564,664 4.787,665 4.82,666 4.942,667 5.043,668 5.112,669 5.165,670 11.07,671 0.619,672 615.78,673 3.892,674 5.398,675 6.209,676 7.05,677 7.884,678 8.736,679 9.583,680 10.442,681 11.298,682 12.161,683 1.2,693 1,699 12,700 1,704 5,706 18,721 1,722 1,724 86,726 22,727 2,728 48,730 89,731 36,733 17,734 4,735 8,736 2,739 4,740 4,748 1,749 1,751 9,753 23,754 13,755 1,756 4,761 2,763 3,765 3,772 41,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 45,845 3,846 10,848 3,850 3,862 9.3,864 3,865 2,866 2,867 1,869 23.167,870 14.633,871 10.222,872 5.263,874 2.87,875 1.346,876 0.912,877 13.807,878 11.168,879 4.127,880 4.6,881 5.035,882 5.511,883 6,884 6.087,885 6.422,886 6.678,887 6.884,888 7.08,889 0.923,890 64,891 16.72,893 7.005,894 7.896,895 31.728,897 25.628,899 2.396,900 107.833,904 447.302,905 190.912,906 16.786,908 211.34,911 190.912,912 658.641,913 16.786,915 29.461,916 123.551,917 242.487,918 47.08,919 11.771,920 411.989,922 447.302,923 207.698,924 211.34,927 435.531,928 201.111,929 22,930 0.36,931 47.556,932 114.568,933 45.214,935 447.302,936 228.125,937 190.912,940 447.661,941 49.267,942 141.286,944 228.125,945 447.302,946 228.125,947 190.912,949 0.56,950 0.305,951 0.163,952 0.091,953 23,954 11,955 0.191,956 17,958 1,959 5.518,960 426.915,962 24,963 243.133,968 34.075,969 18.233,970 11.25,972 228.125,973 22.433,974 4.259,978 3.582,980 128.05,981 866.339,982 61,987 21.615,989 5.945,991 -0.567,994 86.392,995 96.478,996 0.222,997 0.565,998 0.777,999 0.914,1000 0.946,1001 0.949,1002 5.335,1003 2.114,1004 6.146,1005 5.184,1006 4.828,1007 5.288,1008 3.227,1009 6.876,1010 4.782,1011 6.483,1012 1.705,1013 7.649,1014 5.183,1015 4.205,1016 4.808,1017 2.882,1018 7.662,1019 4.142,1020 7.74,1021 1.692,1022 9.258,1023 4.437,1024 6.33,1025 7.291,1026 4.448,1027 10.763,1028 6.244,1029 9.028,1030 1.491,1031 10.936,1032 3.866,1033 6.567,1034 7.644,1035 4.797,1036 12.477,1037 6.461,1038 10.351,1039 1.475,1040 12.662,1041 3.199,1042 8.116,1043 9.593,1044 5.949,1045 15.087,1046 7.991,1047 11.697,1048 1.414,1049 14.423,1050 3.125,1051 8.786,1052 10.372,1053 6.581,1054 17.18,1055 8.639,1056 13.064,1057 1.178,1058 16.211,1059 3.032,1060 10.082,1061 12.067,1062 7.564,1063 19.626,1064 9.917,1065 3.118,1066 1.024,1067 18.018,1068 2.625,1069 10.977,1070 13.086,1071 8.318,1072 21.873,1073 10.791,1074 3.016,1075 10.746,1076 19.841,1077 2.529,1078 12.162,1079 14.641,1080 9.228,1081 24.261,1082 11.958,1083 2.566,1084 10.18,1085 21.676,1086 3.968,1087 13.172,1088 15.8,1089 10.035,1090 26.572,1091 12.947,1092 2.51,1093 7.61,1094 23.521,1095 3.853,1096 14.312,1097 17.275,1098 10.912,1099 28.941,1100 14.068,1101 2.259,1102 7.111,1103 25.373,1104 3.471,1105 15.379,1106 18.517,1107 11.744,1108 31.278,1109 15.114,1110 2.235,1111 6.607,1112 27.232,1113 2.923,1114 16.503,1115 19.945,1116 12.606,1117 33.64,1118 16.219,1119 2.22,1120 6.119,1121 29.097,1122 2.833,1123 17.598,1124 21.236,1125 13.448,1126 35.99,1127 17.292,1128 39088,1129 66432,1130 32.186,1131 55.87,1132 70.063,1133 70.888,1134 70.649,1135 69.116,1136 69.066,1137 86.498,1138 15.636,1139 183.258,1140 67.345,1141 5.38,1142 5.597,1143 6.473,1144 5.161,1145 5.118,1146 6.968,1147 3.925,1148 17.818,1149 5.018,1150 22.747,1151 1.46,1152 1.477,1153 1.472,1154 1.44,1155 1.439,1156 1.802,1157 0.326,1158 3.818,1159 1.403,1160 4.027,1161 4.052,1162 3.966,1163 3.955,1164 7.477,1165 3.953,1166 3.957,1167 3.98,1168 3.898,1169 3.879,1170 7.472,1171 3.88,1172 3.806,1173 3.838,1174 3.741,1175 3.708,1176 6.469,1177 3.711,1178 3.774,1179 3.811,1180 3.673,1181 3.668,1182 6.352,1183 3.661,1184 3.725,1185 3.774,1186 3.601,1187 3.586,1188 6.35,1189 3.578,1190 3.675,1191 3.707,1192 3.569,1193 3.498,1194 4.94,1195 3.507,1196 3.52,1197 3.565,1198 3.404,1199 3.357,1200 4.843,1201 3.357,1202 3.452,1203 3.486,1204 3.344,1205 3.287,1206 4.783,1207 3.29,1208 0.091,1209 0.075,1210 0.139,1211 0.085,1212 0.065,1213 4.38,1214 0.083,1215 3.597,1216 0.049,1217 6.671,1218 0.224,1219 4.088,1220 0.063,1221 3.118,1222 3.968,1223 2.341,1224 10.746,1225 3.018,1226 1.973,1227 1.951,1228 2.075,1229 2.061,1230 1.369,1231 2.064,1232 1.934,1233 1.913,1234 2.059,1235 2.047,1236 1.326,1237 2.051,1238 1.786,1239 1.754,1240 1.952,1241 1.916,1242 1.163,1243 1.923,1244 1.767,1245 1.727,1246 1.949,1247 1.899,1248 1.144,1249 1.915,1250 1.717,1251 1.665,1252 1.901,1253 1.886,1254 1.104,1255 1.899,1256 1.63,1257 1.592,1258 1.84,1259 1.829,1260 1.012,1261 1.831,1262 1.495,1263 1.445,1264 1.746,1265 1.691,1266 0.937,1267 1.708,1268 1.412,1269 1.371,1270 1.638,1271 1.618,1272 0.834,1273 1.618,1274 4.575,1276 5.844,1278 7.298,1280 8.845,1282 10.446,1289 28.29,1290 4.819,1292 18.387,1294 -0.93,1300 53.276,1301 122.882,1302 312.165,1303 429.691,1304 505.149,1305 522.659,1306 524.659,1307 129.45,1308 8.298,1309 135.41,1310 135.41,1311 24,1312 12.711,1313 4.524,1314 3.807,1315 88.542,1316 305,1317 293,1318 0.138,1319 327.229,1320 596.22,1321 790.199,1322 55234,1324 31.857,1325 0.708,1326 0.562,1327 31.857,1328 25.293,1329 21.902,1330 0.456,1331 0.32,1332 15.185,1333 21.087,1334 14.935,1335 12.326,1336 21.902,1337 15.377,1338 18.866,1339 0.304,1340 0.176,1341 18.866,1342 10.939,1343 14.537,1344 0.191,1345 0.099,1346 14.537,1347 7.55,1348 11.749,1349 0.124,1350 0.055,1351 11.749,1352 5.221,1353 9.59,1354 0.081,1355 0.031,1356 9.59,1357 3.65,1358 0.228,1359 137.431,1360 0.176,1361 40.548,1362 0.353,1363 220,1364 696.772,1365 243.862,1366 653.656,1367 861.56,1368 610,1369 248,1370 594.931,1371 268.435,1372 594.692,1373 861.43,1374 561,1375 7.523} {0 CHEMBL419774,1 1.707,2 14.125,3 4.396,4 19.324,5 125.732,6 8.564,7 0.529,8 4.089,9 4.177,10 3.892,11 3.728,12 5.232,13 3.676,14 4.594,15 4.724,16 4.168,17 4.096,18 5.974,19 4.019,20 4.867,21 5.046,22 4.189,23 4.235,24 6.008,25 4.121,26 4.904,27 5.089,28 4.084,29 4.19,30 6.083,31 4.078,32 4.897,33 5.102,34 4.121,35 4.185,36 5.982,37 4.066,38 4.908,39 5.125,40 4.159,41 4.186,42 6.053,43 4.065,44 4.882,45 5.104,46 3.99,47 4.096,48 6.044,49 3.987,50 4.755,51 4.949,52 3.867,53 3.941,54 6.027,55 3.846,56 0.119,57 0.741,58 11.701,59 5.422,60 23.105,61 6.063,62 0.424,63 1.174,64 19.09,65 8.904,66 77.105,67 10.587,68 0.413,69 1.478,70 34.271,71 12.902,72 74.705,73 14.852,74 0.519,75 1.511,76 35.224,77 12.906,78 93.922,79 14.707,80 0.471,81 1.519,82 33.046,83 12.317,84 84.329,85 14.908,86 0.492,87 1.54,88 34.447,89 12.886,90 70.565,91 16.305,92 0.402,93 1.45,94 33.393,95 12.553,96 68.214,97 15.619,98 0.559,99 1.215,100 28.151,101 10.407,102 95.622,103 12.354,104 30,105 46,106 0.279,107 0.599,108 0.749,109 0.858,110 0.866,111 0.866,112 3.502,113 1.048,114 -4.31,115 -4.25,116 -4.01,118 43.6,120 3,124 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 21,181 1,186 7,191 4,194 21,195 1,198 9,203 5,206 15,207 1,210 6,215 3,218 15,219 2,222 11,227 4,229 13,230 3,234 8,235 1,239 4,242 10,243 3,246 1,247 6,250 1,252 5,255 11,256 1,259 3,264 3,267 7,268 1,270 1804,271 21.214,272 21.214,273 21.214,274 21.214,275 21.214,276 18.335,277 11.864,278 12.746,279 21.591,280 16.776,281 16.776,282 16.776,283 16.776,284 16.776,285 12.466,286 5.122,287 6.052,288 17.445,289 4.074,290 2.111,291 1.191,292 0.523,293 0.473,294 0.473,295 4.182,297 1,299 1,300 1,301 944,302 4.528,306 388.19,313 2.125,314 41.027,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 1,323 1,324 0.8,325 69.333,326 452,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.38,337 3.598,338 6.5,339 4.014,340 3.016,341 3.968,343 10.18,344 3.011,345 3.909,346 3.038,347 5.415,348 3.517,349 2.52,350 3.471,352 7.106,353 2.512,354 3.834,355 2.898,356 5.154,357 3.311,358 2.399,359 3.393,361 6.321,362 2.211,363 3.565,364 2.7,365 5.128,366 3.23,367 2.225,368 2.924,370 6.124,371 2.159,372 3.517,373 2.183,374 4.73,375 3.108,376 2.12,377 2.707,379 5.184,380 2.091,381 3.085,382 1.911,383 4.66,384 2.602,385 1.66,386 2.292,388 4.759,389 1.556,390 3.035,391 1.83,392 4.127,393 2.539,394 1.566,395 2.214,397 3.73,398 1.458,399 2.679,400 1.468,401 3.529,402 2.25,403 1.264,404 1.684,406 2.763,407 1.241,408 2.5,409 1.307,410 3.503,411 2.087,412 1.12,413 1.5,415 2.485,416 1.075,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.282,436 1,437 3.247,438 1.956,439 1,440 1.246,442 2.136,443 0.954,444 1.911,445 0.908,446 3.104,447 1.606,448 0.612,449 0.754,451 1.453,452 0.605,453 1.255,454 0.644,455 2.915,456 0.981,457 0.007,458 0.008,460 0.017,461 0.007,462 15.681,463 0.49,464 0.824,465 0.026,466 43,467 1.344,468 24,469 0.75,470 19,471 0.594,472 25.527,473 0.798,474 34.119,475 0.62,476 34.765,477 1.086,478 8.495,479 0.265,480 6.853,481 0.214,482 0.131,483 0.053,484 0.223,487 0.58,488 1.155,489 0.717,490 1.076,491 0.687,492 0.885,493 0.494,494 1.059,495 0.8,496 0.974,497 0.474,498 1,499 0.939,500 1.052,501 1.109,502 1.094,503 0.902,504 1.035,505 1.142,506 1.092,507 1.118,508 1.103,509 1.165,510 1.099,511 0.899,512 1.018,513 0.693,514 0.863,515 0.983,516 1.011,517 0.48,518 1.041,519 0.761,520 1.037,521 0.473,522 1.03,523 0.833,524 1,525 0.777,526 0.966,527 0.811,528 0.973,529 1.238,530 0.992,531 0.906,532 0.929,533 1.297,534 1.057,535 7,536 0.219,537 4,538 1.938,539 1.036,540 0.889,541 0.81,542 0.51,543 0.242,544 0.251,545 15080,546 52187,547 2.004,548 41.8,549 2,550 13,552 2,553 2,554 2,555 2,558 1.742,559 1.873,560 3.735,561 0.208,563 1,567 93.894,568 1.707,569 3.671,570 4.591,571 5.259,572 5.309,573 5.309,574 3.192,575 3.89,576 4.97,577 3.956,578 1962.37,579 8.679,580 30601,585 317.975,586 1.501,587 4.922,588 0.206,589 0.009,590 0.087,591 0.042,592 0.025,593 0.022,594 0.019,595 0.013,596 0.007,597 0.01,598 0.44,599 0.17,600 0.88,601 1.2,602 171.987,603 0.034,604 -0.034,605 0.122,606 -0.02,607 -0.12,608 0.043,609 0.252,610 0.016,611 -0.002,612 -0.014,613 0.255,614 -0.074,615 -0.107,616 -0.042,617 -0.106,618 -0.047,619 -0.067,620 -0.04,621 -0.178,622 -0.095,623 -0.187,624 -0.102,625 -0.137,626 -0.124,627 -0.093,628 -0.027,629 0.049,630 0.044,631 -0.132,632 -0.038,633 0.179,634 -0.053,635 0.103,636 -0.084,637 0.141,638 -0.017,639 -0.01,640 -0.052,641 0.042,642 -0.035,643 0.041,644 0.034,645 -0.091,646 -0.069,647 -0.085,648 -0.05,649 -0.109,650 -0.101,651 4.511,652 5.373,653 0.563,654 38.398,655 1.012,656 1.114,657 3.079,658 9.482,659 0.704,660 3.555,661 3.85,662 4.025,663 4.19,664 4.382,665 4.419,666 4.466,667 4.443,668 4.466,669 4.554,670 8.311,671 0.667,672 471.01,673 3.555,674 5.081,675 5.894,676 6.749,677 7.582,678 8.442,679 9.284,680 10.148,681 10.994,682 11.859,683 3.6,685 1,693 1,699 12,700 1,704 5,706 18,723 1,724 55,726 22,727 2,728 34,730 57,731 24,733 17,734 4,735 8,736 2,739 3,740 3,741 1,751 3,753 20,754 4,756 4,760 1,761 3,763 1,765 2,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,837 1,840 32,844 1,845 1,846 4,847 1,861 1,862 7.3,864 1,865 3,869 17.083,870 9.543,871 7.097,872 3.15,874 2.938,875 1.405,876 0.963,877 8.318,878 10.193,879 3.871,880 4.46,881 4.922,882 5.402,883 5.913,884 6.062,885 6.334,886 6.462,887 6.692,888 6.995,889 1,890 46,891 12.034,893 5.278,894 8.037,895 22.17,897 17.984,899 2.537,900 81.194,904 247.193,905 156.554,906 33.191,907 39.149,908 112.141,910 5.807,911 150.746,912 398.483,913 33.191,915 9.709,916 126.451,917 153.379,918 35.888,920 223.651,921 39.149,922 247.193,923 183.937,924 112.141,925 44.956,927 223.651,928 135.683,931 44.209,932 113.466,933 71.218,935 247.193,936 145.332,937 195.702,939 5.807,940 247.193,941 28.413,942 122.334,943 16.405,944 168.075,945 247.193,946 145.332,947 195.702,949 0.576,950 0.313,951 0.155,952 0.086,953 19,954 9,955 0.175,956 10,958 1,959 4.364,960 269.049,962 18,963 150,967 1,968 23.837,969 11.167,970 7.104,972 145.332,973 20.981,974 4.155,978 3.468,980 59.088,981 588.227,982 47,986 -3.595,987 35.625,989 1.903,991 0.067,994 55.633,995 61.265,996 0.295,997 0.635,998 0.794,999 0.91,1000 0.918,1001 0.918,1002 5.085,1003 1.566,1004 5.889,1005 4.759,1006 4.533,1007 5.147,1008 2.258,1009 6.681,1010 4.458,1011 6.309,1012 1.264,1013 7.446,1014 3.73,1015 4.205,1016 5.103,1017 2.243,1018 7.84,1019 4.025,1020 7.638,1021 1.12,1022 9.123,1023 2.763,1024 6.151,1025 7.402,1026 3.628,1027 10.835,1028 5.988,1029 9.011,1030 1,1031 10.879,1032 2.485,1033 6.661,1034 8.196,1035 4.112,1036 12.881,1037 6.376,1038 10.423,1039 1,1040 12.691,1041 2.275,1042 8.113,1043 10.012,1044 5.201,1045 15.497,1046 7.831,1047 11.863,1048 1,1049 14.542,1050 2.275,1051 9,1052 11.188,1053 5.889,1054 17.844,1055 8.598,1056 13.326,1057 0.612,1058 16.423,1059 2.136,1060 10.274,1061 12.823,1062 6.849,1063 20.369,1064 9.845,1065 3.374,1066 0.007,1067 18.326,1068 1.453,1069 11.333,1070 14.184,1071 7.625,1072 22.817,1073 10.793,1074 3.016,1075 12.404,1076 20.246,1077 0.017,1078 12.546,1079 15.75,1080 8.526,1081 25.322,1082 11.954,1083 2.52,1084 10.18,1085 22.179,1086 4.697,1087 13.681,1088 17.202,1089 9.342,1090 27.805,1091 12.988,1092 2.399,1093 7.106,1094 24.121,1095 3.968,1096 14.877,1097 18.744,1098 10.216,1099 30.309,1100 14.115,1101 2.225,1102 6.321,1103 26.071,1104 3.471,1105 16.048,1106 20.24,1107 11.051,1108 32.808,1109 15.189,1110 2.12,1111 6.124,1112 28.027,1113 3.393,1114 17.242,1115 21.776,1116 11.912,1117 35.315,1118 16.304,1119 1.66,1120 5.184,1121 29.988,1122 2.924,1123 18.429,1124 23.294,1125 12.755,1126 37.821,1127 17.397,1128 14779,1129 27688,1130 22.246,1131 38.71,1132 50.376,1133 51.757,1134 51.09,1135 50.044,1136 49.767,1137 67.714,1138 4.682,1139 138.419,1140 47.884,1141 5.744,1142 6.683,1143 7.095,1144 5.338,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 17.48,1151 1.482,1152 1.522,1153 1.503,1154 1.472,1155 1.464,1156 1.992,1157 0.138,1158 4.071,1159 1.408,1160 4.084,1161 4.076,1162 4.736,1163 4.068,1164 7.717,1165 3.993,1166 3.992,1167 4.002,1168 3.954,1169 3.949,1170 7.474,1171 3.93,1172 3.818,1173 3.857,1174 3.923,1175 3.736,1176 6.999,1177 3.734,1178 3.667,1179 3.7,1180 3.747,1181 3.579,1182 6.351,1183 3.524,1184 3.639,1185 3.651,1186 3.553,1187 3.501,1188 4.937,1189 3.489,1190 3.376,1191 3.393,1192 3.305,1193 3.245,1194 4.913,1195 3.233,1196 3.202,1197 3.232,1198 3.169,1199 3.022,1200 4.719,1201 3.022,1202 2.871,1203 2.925,1204 3.072,1205 2.735,1206 4.269,1207 2.715,1208 0.142,1209 0.138,1210 0.214,1211 0.126,1212 0.099,1213 4.844,1214 0.138,1215 4.683,1216 0.069,1217 7.293,1218 0.365,1219 4.291,1220 0.09,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.091,1229 2.066,1230 1.282,1231 2.086,1232 1.948,1233 1.951,1234 1.959,1235 2.011,1236 1.19,1237 2.045,1238 1.811,1239 1.776,1240 1.939,1241 1.919,1242 1.125,1243 1.93,1244 1.629,1245 1.586,1246 1.833,1247 1.812,1248 0.978,1249 1.818,1250 1.531,1251 1.523,1252 1.689,1253 1.708,1254 0.866,1255 1.732,1256 1.299,1257 1.291,1258 1.37,1259 1.46,1260 0.547,1261 1.482,1262 1.136,1263 1.105,1264 1.181,1265 1.352,1266 0.443,1267 1.356,1268 0.886,1269 0.821,1270 1.181,1271 1.075,1272 0.218,1273 1.107,1274 4.234,1276 5.533,1278 7.02,1280 8.589,1282 10.201,1285 5.813,1289 8.932,1290 1.246,1291 2.599,1300 36.711,1301 93.894,1302 201.895,1303 252.491,1304 289.22,1305 291.975,1306 291.975,1307 84.355,1308 7.256,1309 96.36,1310 104.74,1311 18,1312 12.41,1313 4.524,1314 3.807,1315 61.445,1316 164,1317 156,1318 0.183,1319 235.642,1320 415.82,1321 566.728,1322 14126,1323 1.8,1324 22.976,1325 0.718,1326 0.588,1327 23.726,1328 18.812,1329 15.348,1330 0.451,1331 0.349,1332 10.086,1333 13.851,1334 9.716,1335 8.047,1336 16.458,1337 11.88,1338 14.005,1339 0.304,1340 0.202,1341 15.737,1342 9.294,1343 10.626,1344 0.193,1345 0.118,1346 12.022,1347 6.503,1348 8.178,1349 0.126,1350 0.066,1351 9.199,1352 4.3,1353 6.389,1354 0.081,1355 0.039,1356 7.348,1357 3.086,1358 0.297,1359 106.557,1360 0.212,1361 30.593,1362 0.477,1363 160,1364 514.398,1365 223.911,1366 550.142,1367 717.98,1368 504,1369 181,1370 456.182,1371 243.974,1372 509.968,1373 730.82,1374 478,1375 7.678} {0 CHEMBL419790,1 1.616,2 14.722,3 6.114,4 37.385,5 144.794,6 7.868,7 0.474,8 4.266,9 4.366,10 3.986,11 3.88,12 5.347,13 3.816,14 4.804,15 4.963,16 4.296,17 4.26,18 6.053,19 4.169,20 5.089,21 5.284,22 4.389,23 4.446,24 6.139,25 4.318,26 5.206,27 5.401,28 4.326,29 4.472,30 6.333,31 4.344,32 5.266,33 5.482,34 4.33,35 4.486,36 6.353,37 4.359,38 5.232,39 5.46,40 4.347,41 4.517,42 6.262,43 4.372,44 5.255,45 5.499,46 4.192,47 4.484,48 6.21,49 4.32,50 5.177,51 5.432,52 4.139,53 4.342,54 6.188,55 4.183,56 0.088,57 0.904,58 15.926,59 6.855,60 21.311,61 8.349,62 0.417,63 1.467,64 26.864,65 11.303,66 77.191,67 14.373,68 0.356,69 1.891,70 45.039,71 16.245,72 70.822,73 19.549,74 0.515,75 2.044,76 53.166,77 18.421,78 112.144,79 21.556,80 0.688,81 2.102,82 49.8,83 17.541,84 138.928,85 21.899,86 0.482,87 2.121,88 47.175,89 18.048,90 84.8,91 23.976,92 0.319,93 2.119,94 46.931,95 18.653,96 74.386,97 24.976,98 0.361,99 1.861,100 47.15,101 16.989,102 78.97,103 22.75,104 58,105 52,106 0.254,107 0.57,108 0.755,109 0.841,110 0.847,111 0.847,112 3.615,113 1.081,114 -5.11,115 -5,116 -4.69,118 41.8,119 2,120 4,124 1,126 1,133 1,134 1,140 10,141 3,142 2,143 2,154 1,163 1,167 1,168 17,169 1,171 3,172 6,175 1,177 1,180 23,181 1,186 10,191 1,194 22,195 1,198 17,203 1,206 18,207 1,210 8,215 1,218 23,219 1,222 12,227 1,229 24,230 2,234 9,239 2,242 17,243 3,247 8,248 1,252 3,255 16,256 3,258 1,259 7,262 1,264 3,267 10,268 1,270 2502,271 23.653,272 23.653,273 23.653,274 23.653,275 23.653,276 20.796,277 19.726,278 14.134,279 24.08,280 18.724,281 18.724,282 18.724,283 18.724,284 18.724,285 14.448,286 19.909,287 6.679,288 19.467,289 4.451,290 2.441,291 1.269,292 0.72,293 0.679,294 0.679,295 4.293,297 1,300 1,301 1098,302 5.148,306 447.002,313 2.062,314 44.599,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 77.333,326 530,327 4.943,328 4.729,329 7.715,330 4.461,331 3.538,332 4.763,333 2.341,334 13.841,335 3.245,336 4.38,337 3.596,338 6.5,339 4.014,340 3.016,341 3.968,342 0.4,343 10.18,344 3.011,345 3.914,346 3.041,347 5.888,348 3.532,349 2.554,350 3.472,352 7.529,353 2.516,354 3.862,355 2.923,356 5.411,357 3.421,358 2.471,359 3.413,361 7.056,362 2.313,363 3.557,364 2.816,365 5.133,366 3.237,367 2.237,368 2.923,370 6.14,371 2.219,372 3.536,373 2.631,374 5.067,375 3.154,376 2.232,377 2.71,379 6.048,380 2.093,381 3.397,382 2.173,383 4.659,384 3.088,385 2.108,386 2.512,388 5.184,389 1.984,390 3.047,391 1.906,392 4.591,393 2.62,394 1.629,395 2.224,397 4.317,398 1.612,399 2.996,400 1.687,401 4.149,402 2.501,403 1.548,404 2.11,406 3.813,407 1.415,408 2.721,409 1.497,410 3.69,411 2.38,412 1.4,413 1.749,415 2.947,416 1.367,417 2.5,418 1.252,419 3.564,420 2.087,421 1.114,422 1.5,424 2.652,425 1.078,426 2.5,427 1.124,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.271,445 1,446 3.3,447 1.957,448 1,449 1.226,451 2.136,452 0.954,453 2.169,454 1,455 3.247,456 1.836,457 0.844,458 1.068,460 2.017,461 0.834,462 17.681,463 0.491,464 0.992,465 0.028,466 45.25,467 1.257,468 24,469 0.667,470 21.25,471 0.59,472 35.096,473 0.975,474 39.319,475 0.587,476 38.566,477 1.071,478 8.64,479 0.24,480 8.54,481 0.237,482 0.172,483 0.047,484 0.249,487 0.562,488 1.272,489 0.752,490 1.147,491 0.678,492 0.979,493 0.509,494 1.077,495 0.751,496 0.927,497 0.465,498 0.961,499 0.948,500 1.047,501 1.146,502 1.109,503 0.844,504 1.001,505 1.216,506 1.138,507 1.283,508 1.257,509 1.267,510 1.09,511 1.282,512 0.918,513 0.774,514 0.799,515 1.458,516 0.961,517 0.445,518 1.044,519 0.775,520 1.03,521 0.444,522 1.063,523 0.565,524 1.059,525 0.762,526 1.007,527 0.595,528 1.076,529 0.737,530 0.996,531 0.826,532 0.93,533 0.689,534 0.988,535 8,536 0.367,537 4.889,538 2.813,539 1.596,540 1.25,541 0.87,542 0.688,543 0.373,544 0.328,545 19496,546 61155,547 1.972,548 46.3,549 4,550 14,552 2,553 1,554 2,555 8,558 1.774,559 1.823,560 3.775,561 -0.383,567 108.242,568 1.616,569 3.625,570 4.798,571 5.346,572 5.387,573 5.387,574 3.173,575 4.482,576 5.14,577 4.002,578 2521.29,579 9.036,580 42045.4,585 406.428,586 1.59,587 5.08,588 0.211,589 0.011,590 0.094,591 0.051,592 0.03,593 0.024,594 0.016,595 0.015,596 0.009,597 0.009,598 0.469,599 0.17,600 0.75,601 1.409,602 199.233,603 0.06,604 -0.107,605 0.129,606 -0.044,607 -0.106,608 0.018,609 0.261,610 0.031,611 0.086,612 0.058,613 0.252,614 0.006,615 -0.093,616 0.029,617 -0.061,618 -0.005,619 -0.034,621 -0.155,622 -0.105,623 -0.204,624 -0.142,625 -0.094,626 -0.096,627 -0.196,628 0.059,629 -0.017,630 0.103,631 -0.218,632 -0.01,633 0.137,634 -0.046,635 0.04,636 -0.078,637 0.1,638 -0.056,639 0.025,640 -0.1,641 0.004,642 -0.077,643 0.006,644 -0.066,645 0.026,646 -0.081,647 0.069,648 -0.02,649 0.035,650 0.019,651 4.564,652 6.207,653 0.5,654 43.444,655 1.002,656 1.118,657 3.879,658 15.044,659 0.683,660 3.664,661 3.97,662 4.174,663 4.357,664 4.511,665 4.554,666 4.615,667 4.673,668 4.691,669 4.745,670 8.576,671 0.639,672 527.13,673 3.664,674 5.198,675 6.023,676 6.889,677 7.736,678 8.609,679 9.466,680 10.344,681 11.207,682 12.088,683 3,686 1,693 1,699 12,700 1,704 5,706 18,723 1,724 67,726 22,727 2,728 38,730 69,731 28,733 17,734 4,735 8,736 2,739 3,740 3,741 1,745 2,751 5,753 20,754 8,756 4,760 1,761 3,763 1,765 2,772 31,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,822 1,823 1,830 1,832 3,834 1,836 2,837 1,840 36,844 1,845 1,846 5,850 1,851 1,861 1,862 6,864 1,865 3,869 19.75,870 12.326,871 8,872 4.1,874 2.844,875 1.382,876 0.944,877 9.977,878 10.278,879 3.951,880 4.527,881 4.999,882 5.476,883 5.951,884 6.117,885 6.393,886 6.579,887 6.808,888 7.063,889 0.9,890 55,891 13.588,893 5.919,894 7.931,895 25.342,897 20.626,899 2.431,900 87.528,904 353.133,905 176.739,906 18.304,907 39.149,908 112.141,910 5.807,911 170.931,912 504.423,913 18.304,914 17.65,915 12.244,916 110.046,917 153.379,918 37.407,920 329.591,921 39.149,922 353.133,923 189.235,924 112.141,925 44.956,927 258.964,928 206.31,931 49.508,932 113.466,933 71.218,935 353.133,936 130.445,937 215.887,939 5.807,940 353.133,941 30.947,942 141.503,944 168.075,945 353.133,946 130.445,947 215.887,949 0.579,950 0.323,951 0.164,952 0.086,953 21,954 11,955 0.174,956 12,958 1,959 4.557,960 323.022,962 18,963 174.117,967 1,968 27.764,969 12.936,970 7.84,972 130.445,973 21.622,974 4.218,978 3.695,980 42.683,981 699.466,982 51,986 -3.647,987 37.265,989 2.05,991 0.193,994 67.167,995 74.926,996 0.266,997 0.598,998 0.791,999 0.881,1000 0.888,1001 0.888,1002 5.179,1003 1.629,1004 6.028,1005 5.184,1006 4.654,1007 5.215,1008 2.291,1009 6.855,1010 4.578,1011 6.4,1012 1.548,1013 7.61,1014 4.317,1015 4.369,1016 5.173,1017 2.243,1018 8.08,1019 4.193,1020 7.728,1021 1.4,1022 9.318,1023 3.813,1024 6.293,1025 7.45,1026 3.63,1027 11.155,1028 6.125,1029 9.103,1030 1.114,1031 11.109,1032 2.947,1033 6.858,1034 8.26,1035 4.112,1036 13.307,1037 6.572,1038 10.518,1039 1,1040 12.96,1041 2.652,1042 8.306,1043 10.066,1044 5.201,1045 16.028,1046 8.01,1047 11.966,1048 1,1049 14.856,1050 2.275,1051 9.253,1052 11.266,1053 5.889,1054 18.495,1055 8.84,1056 13.44,1057 1,1058 16.785,1059 2.275,1060 10.544,1061 12.902,1062 6.849,1063 21.137,1064 10.092,1065 3.538,1066 0.844,1067 18.739,1068 2.136,1069 11.662,1070 14.287,1071 7.625,1072 23.706,1073 11.099,1074 3.016,1075 13.841,1076 20.712,1077 2.017,1078 12.908,1079 15.861,1080 8.526,1081 26.332,1082 12.282,1083 2.554,1084 10.18,1085 22.7,1086 4.763,1087 14.101,1088 17.334,1089 9.342,1090 28.936,1091 13.372,1092 2.471,1093 7.529,1094 24.7,1095 3.968,1096 15.341,1097 18.888,1098 10.216,1099 31.56,1100 14.533,1101 2.237,1102 7.056,1103 26.709,1104 3.472,1105 16.566,1106 20.403,1107 11.051,1108 34.177,1109 15.659,1110 2.232,1111 6.14,1112 28.725,1113 3.413,1114 17.81,1115 21.953,1116 11.912,1117 36.802,1118 16.816,1119 2.108,1120 6.048,1121 30.746,1122 2.923,1123 19.051,1124 23.489,1125 12.755,1126 39.425,1127 17.96,1128 19276,1129 34333,1130 24.444,1131 45.756,1132 56.513,1133 58.036,1134 58.15,1135 56.349,1136 56.031,1137 73.995,1138 5.482,1139 158.366,1140 53.92,1141 5.845,1142 6.729,1143 7.517,1144 5.513,1145 5.538,1146 7.763,1147 3.925,1148 22.025,1149 5.245,1150 22,1151 1.487,1152 1.527,1153 1.53,1154 1.483,1155 1.475,1156 1.947,1157 0.144,1158 4.168,1159 1.419,1160 4.104,1161 4.096,1162 4.743,1163 4.084,1164 7.715,1165 4.007,1166 3.993,1167 4.007,1168 3.955,1169 3.95,1170 7.474,1171 3.932,1172 3.821,1173 3.86,1174 3.925,1175 3.738,1176 6.999,1177 3.736,1178 3.718,1179 3.759,1180 3.747,1181 3.623,1182 6.351,1183 3.59,1184 3.693,1185 3.737,1186 3.58,1187 3.55,1188 4.937,1189 3.544,1190 3.46,1191 3.482,1192 3.44,1193 3.354,1194 4.913,1195 3.293,1196 3.419,1197 3.438,1198 3.315,1199 3.278,1200 4.719,1201 3.276,1202 3.257,1203 3.302,1204 3.151,1205 3.085,1206 4.288,1207 3.076,1208 0.13,1209 0.124,1210 0.203,1211 0.117,1212 0.093,1213 4.943,1214 0.125,1215 4.729,1216 0.062,1217 7.715,1218 0.364,1219 4.461,1220 0.085,1221 3.538,1222 4.763,1223 2.341,1224 13.841,1225 3.245,1226 1.997,1227 1.986,1228 2.095,1229 2.074,1230 1.322,1231 2.099,1232 1.957,1233 1.955,1234 1.98,1235 2.027,1236 1.27,1237 2.053,1238 1.814,1239 1.779,1240 1.946,1241 1.922,1242 1.166,1243 1.936,1244 1.688,1245 1.642,1246 1.897,1247 1.857,1248 1.069,1249 1.869,1250 1.671,1251 1.623,1252 1.887,1253 1.838,1254 1.007,1255 1.862,1256 1.415,1257 1.368,1258 1.656,1259 1.596,1260 0.844,1261 1.628,1262 1.326,1263 1.333,1264 1.502,1265 1.513,1266 0.663,1267 1.523,1268 1.212,1269 1.177,1270 1.417,1271 1.391,1272 0.502,1273 1.431,1274 4.344,1276 5.652,1278 7.152,1280 8.741,1282 10.378,1284 3.734,1285 5.928,1289 8.916,1290 2.244,1294 -0.198,1295 1.508,1300 42.819,1301 108.242,1302 242.861,1303 321.434,1304 358.163,1305 360.918,1306 360.918,1307 109.016,1308 7.435,1309 87.57,1310 95.95,1311 18,1312 12.627,1313 4.524,1314 3.807,1315 73.844,1316 189,1317 178,1318 0.19,1319 274.012,1320 485.02,1321 660.349,1322 17008,1323 1.5,1324 26.131,1325 0.726,1326 0.612,1327 26.881,1328 22.043,1329 17.18,1330 0.452,1331 0.36,1332 11.93,1333 15.668,1334 11.418,1335 9.521,1336 18.257,1337 13.691,1338 15.727,1339 0.302,1340 0.213,1341 17.436,1342 11.083,1343 12.036,1344 0.188,1345 0.127,1346 13.711,1347 8.139,1348 9.543,1349 0.124,1350 0.074,1351 10.973,1352 5.676,1353 7.066,1354 0.079,1355 0.042,1356 8.134,1357 3.773,1358 0.305,1359 117.309,1360 0.202,1361 33.387,1362 0.502,1363 180,1364 539.71,1365 248.278,1366 575.359,1367 757.12,1368 528,1369 206,1370 489.028,1371 276.093,1372 544.993,1373 785.85,1374 511,1375 7.602} {0 CHEMBL41989,1 1.39,2 25.75,3 8.885,4 78.938,5 215.859,6 7.009,7 0.4,8 4.757,9 4.86,10 4.251,11 4.287,12 5.846,13 4.256,14 5.306,15 5.459,16 4.56,17 4.662,18 6.413,19 4.598,20 5.607,21 5.82,22 4.618,23 4.808,24 6.551,25 4.715,26 5.662,27 5.879,28 4.617,29 4.828,30 6.613,31 4.729,32 5.673,33 5.887,34 4.658,35 4.892,36 6.606,37 4.784,38 5.751,39 5.982,40 4.648,41 4.932,42 6.665,43 4.807,44 5.75,45 5.988,46 4.602,47 4.898,48 6.639,49 4.771,50 5.679,51 5.908,52 4.593,53 4.843,54 6.599,55 4.726,56 0.059,57 1.385,58 23.861,59 11.281,60 22.057,61 14.109,62 0.562,63 2.25,64 44.201,65 18.484,66 91.89,67 23.908,68 0.608,69 2.869,70 62.851,71 24.138,72 105.669,73 32.124,74 0.903,75 2.977,76 67.471,77 25.026,78 124.641,79 33.238,80 0.821,81 3.107,82 66.921,83 26.148,84 109.391,85 35.156,86 0.787,87 3.349,88 72.938,89 28.032,90 124.446,91 38.281,92 0.906,93 3.285,94 73.781,95 27.635,96 120.585,97 37.72,98 0.665,99 3.073,100 67.995,101 26.024,102 97.558,103 35.264,104 50,105 77,106 0.198,107 0.504,108 0.709,109 0.856,110 0.892,111 0.897,112 4.045,113 0.979,114 -5.86,115 -5.72,116 -5.33,118 42.2,120 11,121 1,124 3,126 1,127 1,133 3,134 1,140 14,141 4,142 3,143 2,154 2,163 2,167 2,168 29,169 2,171 1,172 15,175 2,177 4,180 30,181 2,186 17,191 4,194 26,195 2,198 15,201 1,203 4,206 27,207 2,209 2,210 14,215 3,218 33,219 2,222 11,225 1,227 4,229 34,230 2,233 1,234 12,239 5,242 34,243 2,246 1,247 9,248 2,252 4,255 26,256 4,258 2,259 14,260 1,262 3,264 6,267 20,268 4,270 9404,271 38.329,272 38.329,273 38.329,274 38.329,275 38.329,276 34.544,277 33.63,278 23.939,279 38.799,280 29.734,281 29.734,282 29.734,283 29.734,284 29.734,285 24.202,286 33.188,287 11.525,288 30.51,289 5.378,290 3.234,291 1.799,292 0.766,293 0.514,294 0.477,295 4.747,301 3057,302 5.657,306 1162.33,313 3.705,314 61.164,317 0.5,318 0.33,319 0.67,320 0.9,321 1,322 0.5,324 0.56,325 121.5,326 1442,327 4.38,328 3.609,329 6.681,330 4.111,331 3.14,332 3.968,333 2.341,334 10.788,335 3.043,336 4.336,337 3.597,338 6.5,339 4.013,340 3.016,341 3.856,342 2.341,343 10.18,344 3.008,345 4.153,346 3.596,347 6.153,348 3.821,349 2.835,350 3.724,351 1.902,352 9.114,353 2.797,354 3.909,355 3.213,356 5.663,357 3.477,358 2.522,359 3.471,360 0.869,361 7.429,362 2.412,363 3.711,364 3.051,365 5.414,366 3.447,367 2.483,368 2.922,369 0.86,370 7.106,371 2.395,372 3.56,373 2.848,374 5.302,375 3.259,376 2.296,377 2.894,378 0.86,379 6.788,380 2.223,381 3.552,382 2.834,383 5.134,384 3.24,385 2.235,386 2.726,387 0.22,388 6.126,389 2.222,390 3.535,391 2.591,392 4.66,393 3.23,394 2.23,395 2.71,397 5.184,398 2.179,399 3.488,400 2.214,401 4.659,402 3.098,403 2.132,404 2.658,406 5.184,407 2.049,408 3.121,409 2.164,410 4.56,411 2.831,412 1.843,413 2.234,415 4.515,416 1.819,417 3.063,418 2.027,419 4.315,420 2.695,421 1.717,422 2.203,424 4.039,425 1.678,426 2.884,427 1.97,428 4.158,429 2.684,430 1.695,431 2.026,433 3.88,434 1.669,435 2.863,436 1.91,437 3.863,438 2.512,439 1.552,440 1.945,442 3.664,443 1.483,444 2.814,445 1.803,446 3.812,447 2.465,448 1.488,449 1.86,451 3.17,452 1.448,453 2.76,454 1.625,455 3.637,456 2.436,457 1.458,458 1.811,460 3.126,461 1.42,462 26.4,463 0.471,464 0.976,465 0.017,466 64.75,467 1.156,468 31,469 0.554,470 33.75,471 0.603,472 62.173,473 1.11,474 62.4,475 0.572,476 59.694,477 1.066,478 12.666,479 0.226,480 14.702,481 0.263,482 0.063,484 0.246,487 0.842,488 1.182,489 0.865,490 1.136,491 0.777,492 1.025,493 0.85,494 1.177,495 1.01,496 1.17,497 0.519,498 1.126,499 1.033,500 1.024,501 0.978,502 1.019,503 0.872,504 0.995,505 1.148,506 0.959,507 1.033,508 0.96,509 0.85,510 0.976,511 0.873,512 1.041,513 1.006,514 1.041,515 0.711,516 1.047,517 0.844,518 1.041,519 1.011,520 1.044,521 0.728,522 1.054,523 0.932,524 0.968,525 1.015,526 0.98,527 0.689,528 1.006,529 0.906,530 1.047,531 0.991,532 1.062,533 0.733,534 1.046,535 8,536 0.351,537 4.667,538 2.5,539 1.951,540 1.41,541 0.988,542 0.656,543 0.624,544 0.437,545 84282,546 225582,547 2.066,548 48.6,549 14,550 24,551 1,552 2,553 3,554 4,555 4,556 1,558 1.871,559 1.976,560 4.558,561 0.559,567 151.539,568 1.39,569 3.534,570 4.969,571 6.002,572 6.254,573 6.291,574 3.974,575 5.486,576 5.78,577 4.82,578 7422.35,579 10.272,580 196134,585 737.732,586 1.18,587 5.758,588 0.133,589 0.005,590 0.061,591 0.031,592 0.025,593 0.017,594 0.012,595 0.009,596 0.008,597 0.006,598 0.307,599 0.17,600 0.38,601 1.445,602 364.341,603 -0.048,604 -0.019,605 0.03,606 0.004,607 -0.06,608 0.026,609 0.084,610 -0.089,611 -0.067,612 -0.101,613 0.155,614 -0.109,615 -0.074,616 -0.018,618 -0.007,619 -0.058,620 0.007,621 -0.086,622 0.032,623 -0.037,624 0.037,625 -0.056,626 0.013,627 -0.001,628 -0.027,629 -0.043,630 -0.021,631 -0.035,632 -0.037,633 -0.027,634 -0.034,635 -0.048,636 -0.038,637 -0.034,638 -0.045,639 -0.048,640 0.021,641 -0.038,642 0.013,643 -0.045,644 -0.006,645 -0.032,646 -0.052,647 -0.02,648 -0.057,649 -0.038,650 -0.04,651 2.493,652 4.651,653 0.536,654 115.207,655 1,656 1.121,657 4.631,658 21.448,659 0.65,660 4.111,661 4.357,662 4.564,663 4.787,664 5.017,665 5.069,666 5.22,667 5.338,668 5.421,669 5.464,670 14.76,671 0.616,672 764,673 4.111,674 5.617,675 6.428,676 7.268,677 8.102,678 8.953,679 9.802,680 10.661,681 11.519,682 12.384,683 0.9,693 1,699 16,700 1,704 7,706 24,721 1,722 2,724 109,726 28,727 3,728 60,730 113,731 46,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 12,753 29,754 17,755 1,756 4,761 2,763 3,765 3,772 53,773 10,774 3,775 10,779 1,784 1,785 9,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 56,845 3,846 14,848 4,850 3,862 8.3,864 3,865 2,866 2,867 2,869 28.333,870 18.633,871 12.75,872 6.86,874 4.027,875 1.443,876 0.923,877 17.802,878 13.128,879 4.344,880 4.82,881 5.273,882 5.759,883 6.253,884 6.343,885 6.682,886 6.952,887 7.195,888 7.432,889 0.941,890 80,891 20.819,893 8.686,894 7.798,895 39.906,897 32.3,899 2.298,900 128.667,904 588.555,905 249.442,906 16.786,908 222.339,911 249.442,912 810.895,913 16.786,915 41.657,916 161.456,917 242.487,918 66.509,919 11.771,920 553.242,922 588.555,923 266.228,924 222.339,927 529.7,928 259.195,929 22,930 0.36,931 59.752,932 160.902,933 45.214,935 588.555,936 239.125,937 249.442,940 588.915,941 69.891,942 179.191,944 239.125,945 588.555,946 239.125,947 249.442,949 0.557,950 0.305,951 0.164,952 0.092,953 28,954 13,955 0.204,956 23,958 1,959 6.534,960 561.72,962 30,963 319.212,968 42.518,969 23.446,970 14.44,972 239.125,973 30.554,974 4.279,978 5.345,980 128.05,981 1077.12,982 76,987 21.713,989 5.996,991 -0.511,994 109.021,995 122.178,996 0.205,997 0.522,998 0.734,999 0.887,1000 0.924,1001 0.93,1002 5.549,1003 2.23,1004 6.358,1005 6.126,1006 5.043,1007 5.509,1008 3.368,1009 7.083,1010 4.993,1011 6.692,1012 2.132,1013 7.855,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.3,1020 7.947,1021 1.843,1022 9.459,1023 5.184,1024 6.538,1025 7.523,1026 4.567,1027 10.959,1028 6.446,1029 9.234,1030 1.717,1031 11.134,1032 4.515,1033 6.746,1034 7.869,1035 4.929,1036 12.658,1037 6.636,1038 10.557,1039 1.695,1040 12.857,1041 4.039,1042 8.318,1043 9.835,1044 6.048,1045 15.265,1046 8.188,1047 11.905,1048 1.552,1049 14.616,1050 3.88,1051 8.972,1052 10.606,1053 6.678,1054 17.341,1055 8.825,1056 13.273,1057 1.488,1058 16.4,1059 3.664,1060 10.279,1061 12.309,1062 7.64,1063 19.779,1064 10.114,1065 3.14,1066 1.458,1067 18.204,1068 3.17,1069 11.165,1070 13.317,1071 8.387,1072 22.012,1073 10.982,1074 3.016,1075 10.788,1076 20.023,1077 3.126,1078 12.354,1079 14.876,1080 9.283,1081 24.392,1082 12.153,1083 2.835,1084 10.18,1085 21.854,1086 3.968,1087 13.357,1088 16.023,1089 10.083,1090 26.692,1091 13.138,1092 2.522,1093 9.114,1094 23.694,1095 3.856,1096 14.498,1097 17.498,1098 10.951,1099 29.053,1100 14.26,1101 2.483,1102 7.429,1103 25.541,1104 3.724,1105 15.56,1106 18.728,1107 11.776,1108 31.383,1109 15.303,1110 2.296,1111 7.106,1112 27.394,1113 3.471,1114 16.683,1115 20.155,1116 12.633,1117 33.739,1118 16.407,1119 2.235,1120 6.788,1121 29.252,1122 2.922,1123 17.775,1124 21.434,1125 13.47,1126 36.083,1127 17.477,1128 80583,1129 132031,1130 40.622,1131 70.893,1132 87.062,1133 88.237,1134 87.679,1135 86.216,1136 86.177,1137 107.955,1138 18.785,1139 227.234,1140 83.88,1141 5.38,1142 5.609,1143 6.571,1144 5.183,1145 5.14,1146 6.968,1147 3.925,1148 17.867,1149 5.043,1150 26.616,1151 1.451,1152 1.471,1153 1.461,1154 1.437,1155 1.436,1156 1.799,1157 0.313,1158 3.787,1159 1.398,1160 4.044,1161 4.068,1162 3.981,1163 3.964,1164 7.477,1165 3.964,1166 3.974,1167 3.995,1168 3.919,1169 3.896,1170 7.472,1171 3.898,1172 3.89,1173 3.912,1174 3.831,1175 3.823,1176 6.469,1177 3.821,1178 3.808,1179 3.844,1180 3.741,1181 3.709,1182 6.352,1183 3.712,1184 3.764,1185 3.804,1186 3.657,1187 3.661,1188 6.35,1189 3.652,1190 3.725,1191 3.78,1192 3.599,1193 3.6,1194 4.949,1195 3.583,1196 3.723,1197 3.774,1198 3.574,1199 3.586,1200 4.9,1201 3.577,1202 3.623,1203 3.656,1204 3.517,1205 3.455,1206 4.821,1207 3.461,1208 0.073,1209 0.06,1210 0.111,1211 0.069,1212 0.052,1213 4.38,1214 0.066,1215 3.609,1216 0.039,1217 6.681,1218 0.18,1219 4.111,1220 0.051,1221 3.14,1222 3.968,1223 2.341,1224 10.788,1225 3.043,1226 1.973,1227 1.951,1228 2.076,1229 2.068,1230 1.366,1231 2.065,1232 1.946,1233 1.927,1234 2.065,1235 2.054,1236 1.356,1237 2.061,1238 1.883,1239 1.862,1240 2.016,1241 1.981,1242 1.326,1243 1.991,1244 1.791,1245 1.757,1246 1.977,1247 1.93,1248 1.15,1249 1.946,1250 1.764,1251 1.723,1252 1.948,1253 1.899,1254 1.147,1255 1.916,1256 1.733,1257 1.677,1258 1.946,1259 1.886,1260 1.11,1261 1.905,1262 1.716,1263 1.664,1264 1.894,1265 1.873,1266 1.026,1267 1.888,1268 1.583,1269 1.544,1270 1.798,1271 1.779,1272 1.012,1273 1.781,1274 4.796,1276 6.061,1278 7.513,1280 9.057,1282 10.658,1289 28.493,1290 9.104,1292 24.79,1294 -1.096,1300 67.151,1301 151.539,1302 385.245,1303 541.661,1304 654.222,1305 681.732,1306 685.732,1307 159.76,1308 9.101,1309 144.64,1310 144.64,1311 30,1312 12.933,1313 4.858,1314 4.087,1315 109.37,1316 514,1317 466,1318 0.1,1319 410.973,1320 746.83,1321 994.535,1322 180876,1324 39.376,1325 0.703,1326 0.569,1327 39.376,1328 31.84,1329 27.368,1330 0.456,1331 0.326,1332 19.346,1333 26.424,1334 19.014,1335 15.741,1336 27.368,1337 19.572,1338 23.321,1339 0.303,1340 0.18,1341 23.321,1342 13.887,1343 18.209,1344 0.192,1345 0.101,1346 18.209,1347 9.571,1348 14.759,1349 0.124,1350 0.056,1351 14.759,1352 6.61,1353 12.078,1354 0.081,1355 0.03,1356 12.078,1357 4.573,1358 0.169,1359 171.137,1360 0.157,1361 48.946,1362 0.243,1363 274,1364 828.507,1365 301.405,1366 779.621,1367 1037.38,1368 730,1369 309,1370 724.385,1371 333.422,1372 726.234,1373 1054.5,1374 685,1375 7.155} {0 CHEMBL419900,1 1.464,2 9.826,3 4.923,4 24.232,5 96.218,6 7.163,7 0.458,8 3.873,9 3.987,10 3.444,11 3.497,12 4.949,13 3.411,14 4.394,15 4.57,16 3.768,17 3.883,18 5.45,19 3.759,20 4.668,21 4.881,22 3.742,23 3.986,24 5.637,25 3.833,26 4.826,27 5.076,28 3.693,29 3.988,30 5.787,31 3.814,32 4.704,33 4.951,34 3.69,35 3.973,36 5.546,37 3.782,38 4.688,39 4.941,40 3.538,41 3.906,42 5.538,43 3.706,44 4.598,45 4.877,46 3.284,47 3.737,48 5.432,49 3.523,50 4.356,51 4.625,52 3.188,53 3.557,54 5.159,55 3.365,56 0.04,57 0.598,58 10.585,59 4.909,60 9.231,61 6.255,62 0.189,63 0.983,64 19.73,65 8.357,66 40.12,67 10.778,68 0.128,69 1.226,70 26.27,71 10.774,72 28.629,73 14.018,74 0.391,75 1.335,76 32.699,77 11.875,78 72.047,79 15.049,80 0.211,81 1.28,82 30.81,83 11.457,84 35.776,85 14.747,86 0.205,87 1.242,88 28.767,89 10.867,90 37.349,91 14.199,92 0.216,93 1.101,94 26.681,95 9.787,96 40.361,97 12.908,98 0.142,99 0.87,100 20.42,101 7.783,102 24.327,103 10.292,104 24,105 32,106 0.254,107 0.603,108 0.788,109 0.861,110 0.861,111 0.861,112 3.187,113 1.095,114 -4.47,115 -4.39,116 -4.14,118 41.3,119 2,120 4,122 1,133 1,134 1,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 12,169 1,172 3,175 1,177 1,180 15,181 3,186 5,191 3,194 14,195 1,198 2,203 1,206 14,207 1,210 4,215 1,218 13,219 1,222 3,227 1,229 10,230 1,234 2,239 1,242 8,243 1,247 2,252 1,255 7,256 1,259 2,264 1,267 8,268 3,270 798,271 15.181,272 15.181,273 15.181,274 15.181,275 15.181,276 13.481,277 7.993,278 9.226,279 15.453,280 11.827,281 11.827,282 11.827,283 11.827,284 11.827,285 9.39,286 7.648,287 4.334,288 12.251,289 4.06,290 2.045,291 0.979,292 0.555,293 0.555,294 0.555,295 3.845,299 1,300 1,301 463,302 4.243,305 76.049,306 89.485,313 1.357,314 18.092,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 48.5,326 226,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.954,333 2.341,334 11.924,335 3.327,336 4.375,337 3.028,338 6.499,339 3.982,340 3.011,341 3.522,343 10.176,344 2.928,345 3.748,346 2.576,347 5.254,348 3.227,349 2.29,350 3.313,352 6.425,353 2.132,354 3.258,355 2.291,356 4.406,357 2.801,358 1.821,359 2.537,361 4.077,362 1.78,363 2.882,364 1.973,365 4.227,366 2.59,367 1.614,368 1.877,370 3.569,371 1.563,372 2.737,373 1.587,374 3.663,375 2.38,376 1.378,377 1.77,379 3.061,380 1.358,381 2.562,382 1.218,383 3.488,384 2.15,385 1.18,386 1.558,388 2.647,389 1.137,390 2.5,391 1.071,392 3.248,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 2.276,400 1,401 3.247,402 1.894,403 0.917,404 1.148,406 2.039,407 0.887,408 2.118,409 0.618,410 3,411 1.466,412 0.618,413 0.927,415 1.372,416 0.507,417 1.587,418 0.48,419 2.942,420 1.358,421 0.385,422 0.46,424 0.92,425 0.372,426 0.871,427 0.39,428 2.505,429 0.7,430 -0.289,431 -0.308,433 -0.674,434 -0.285,435 0.547,436 -0.146,437 2.092,438 0.163,439 -0.807,440 -1,442 -1.809,443 -0.777,444 0.5,445 -0.795,446 2,448 -1,449 -1.043,451 -2,452 -0.961,453 0.447,454 -0.961,455 2,457 -1,458 -1.246,460 -2.347,461 -0.974,462 11.4,463 0.496,464 0.581,465 0.025,466 26,467 1.13,468 13,469 0.565,470 13,471 0.565,472 21.919,473 0.953,474 25.2,475 0.548,476 16.413,477 0.714,478 4.658,479 0.203,480 6.347,481 0.276,482 0.146,483 0.044,484 0.175,487 0.75,488 1.09,489 0.834,490 0.964,491 0.73,492 0.992,493 0.451,494 0.999,495 0.896,496 0.973,497 0.395,498 0.98,499 0.736,500 1.18,501 0.974,502 1.142,503 0.724,504 1.148,505 1.623,506 0.776,507 0.96,508 0.755,509 1.706,510 0.871,511 0.722,512 1.031,513 1.096,514 1.077,515 0.713,516 1.008,517 0.805,518 1.069,519 1.072,520 1.062,521 0.764,522 1.083,523 0.846,524 0.916,525 1.017,526 0.96,527 0.794,528 0.983,529 0.69,530 0.913,531 0.923,532 0.935,533 0.681,534 0.944,535 4.5,536 0.181,537 2.889,538 1.09,539 0.591,540 0.393,541 0.266,542 0.161,543 0.262,544 0.281,545 5539,546 15261,547 1.961,548 50,549 14,550 5,551 1,552 2,553 1,558 1.656,559 1.828,560 3.231,561 -0.369,567 67.331,568 1.464,569 3.479,570 4.545,571 4.969,572 4.969,573 4.969,574 2.577,575 4.002,576 4.498,577 3.449,578 872.569,579 7.736,580 10560.1,582 1,585 254.084,586 1.51,587 4.439,588 0.188,589 0.009,590 0.09,591 0.036,592 0.022,593 0.015,594 0.012,595 0.009,596 0.015,597 0.013,598 0.408,599 0.33,600 1,601 2.012,602 109.449,603 -0.041,604 0.014,605 0.048,606 0.069,607 -0.056,608 0.037,609 0.203,610 0.064,611 0.059,612 0.063,613 0.224,614 0.04,615 0.013,616 -0.192,617 -0.071,618 -0.168,619 0.046,620 -0.15,621 -0.229,622 0.152,623 -0.017,624 0.172,625 -0.236,626 0.077,627 -0.018,628 -0.038,629 -0.02,630 -0.02,631 -0.042,632 0.002,633 -0.063,634 -0.085,635 -0.097,636 -0.079,637 -0.069,638 -0.096,639 -0.063,640 0.036,641 -0.061,642 -0.007,643 -0.046,644 -0.006,645 -0.006,646 0.04,647 0.01,648 0.024,649 -0.026,650 0.046,651 2.386,652 4.116,653 0.478,654 19.074,655 0.99,656 1.117,657 3.237,658 10.476,659 0.673,660 3.219,661 3.497,662 3.664,663 3.738,664 3.784,665 3.761,666 3.784,667 3.761,668 3.761,669 3.664,670 6.207,671 0.618,672 329.5,673 3.219,674 4.727,675 5.533,676 6.375,677 7.204,678 8.049,679 8.885,680 9.732,681 10.57,682 11.418,683 2.2,693 1,699 7,700 1,703 1,704 2,706 11,724 46,726 13,728 24,730 47,731 19,733 9,736 2,739 2,740 2,745 2,746 1,751 4,753 12,754 7,756 2,761 1,763 1,765 2,772 23,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,836 2,840 23,845 1,846 4,852 1,856 1,862 4.3,864 1,865 1,869 12.583,870 8.65,871 5.181,872 2.829,874 1.825,875 1.296,876 0.908,877 6.378,878 7.996,879 3.481,880 3.984,881 4.456,882 4.884,883 5.178,884 5.331,885 5.63,886 5.796,887 5.913,888 5.976,889 1,890 30,891 8.51,893 3.476,894 7.75,895 16.432,897 13.176,899 2.25,900 51.75,903 1,904 258.964,905 140.831,906 16.786,908 67.828,910 31.278,911 109.553,912 326.793,913 16.786,914 17.65,915 10.138,916 55.03,917 109.066,918 24.466,919 13.13,920 254.929,922 258.964,923 126.339,924 67.828,925 31.278,927 258.964,928 67.828,931 45.883,932 54.193,933 26.262,934 31.278,935 258.964,936 84.614,937 140.831,940 258.964,941 50.055,942 90.776,944 84.614,945 258.964,946 84.614,947 140.831,949 0.574,950 0.327,951 0.149,952 0.071,953 13,954 6,955 0.17,956 8,958 1,959 3.53,960 165.219,962 11,963 102.042,964 1,968 17.713,969 8.282,970 5.193,972 84.614,973 13.951,974 4.21,977 1.724,978 2.365,980 42.683,981 484.409,982 31.5,987 11.116,989 2.247,991 0.494,994 45.552,995 51.404,996 0.265,997 0.63,998 0.823,999 0.9,1000 0.9,1001 0.9,1002 4.689,1003 1,1004 5.533,1005 2.647,1006 4.174,1007 4.668,1008 2.258,1009 6.34,1010 4.116,1011 5.884,1012 0.917,1013 7.109,1014 2.136,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.849,1020 7.183,1021 0.618,1022 8.818,1023 2.039,1024 5.82,1025 6.747,1026 3.628,1027 10.589,1028 5.737,1029 8.526,1030 0.385,1031 10.612,1032 1.372,1033 6.431,1034 7.266,1035 4.112,1036 12.693,1037 6.364,1038 9.907,1039 -0.289,1040 12.46,1041 0.92,1042 7.855,1043 9.117,1044 5.201,1045 15.272,1046 7.767,1047 11.313,1048 -0.807,1049 14.342,1050 -0.674,1051 8.817,1052 10.024,1053 5.889,1054 17.614,1055 8.739,1056 12.738,1057 -1,1058 16.247,1059 -1.809,1060 10.075,1061 11.629,1062 6.849,1063 20.099,1064 9.988,1065 3.331,1066 -1,1067 18.166,1068 -2,1069 11.172,1070 12.733,1071 7.625,1072 22.516,1073 11.091,1074 3.011,1075 11.924,1076 20.095,1077 -2.347,1078 12.376,1079 14.218,1080 8.526,1081 24.979,1082 12.291,1083 2.29,1084 10.176,1085 22.032,1086 3.954,1087 13.525,1088 15.429,1089 9.342,1090 27.423,1091 13.443,1092 1.821,1093 6.425,1094 23.975,1095 3.522,1096 14.713,1097 16.853,1098 10.216,1099 29.884,1100 14.63,1101 1.614,1102 4.077,1103 25.921,1104 3.313,1105 15.883,1106 18.125,1107 11.051,1108 32.34,1109 15.802,1110 1.378,1111 3.569,1112 27.871,1113 2.537,1114 17.068,1115 19.519,1116 11.912,1117 34.804,1118 16.988,1119 1.18,1120 3.061,1121 29.824,1122 1.877,1123 18.248,1124 20.827,1125 12.755,1126 37.267,1127 18.17,1128 5641,1129 9444,1130 15.485,1131 30.938,1132 36.022,1133 35.802,1134 35.691,1135 35.006,1136 35.089,1137 45.135,1138 4.682,1139 96.688,1140 33.893,1141 5.307,1142 5.979,1143 7.008,1144 5.394,1145 5.331,1146 6.954,1147 3.925,1148 18.673,1149 5.297,1150 12.316,1151 1.501,1152 1.492,1153 1.487,1154 1.459,1155 1.462,1156 1.881,1157 0.195,1158 4.029,1159 1.412,1160 3.984,1161 4.007,1162 4.233,1163 3.984,1164 7.473,1165 3.934,1166 3.828,1167 3.868,1168 3.805,1169 3.73,1170 6.351,1171 3.706,1172 3.755,1173 3.78,1174 3.722,1175 3.699,1176 4.919,1177 3.68,1178 3.572,1179 3.627,1180 3.447,1181 3.449,1182 4.67,1183 3.434,1184 3.228,1185 3.286,1186 3.109,1187 3.099,1188 4.265,1189 3.086,1190 3.033,1191 3.047,1192 2.884,1193 2.732,1194 4.151,1195 2.727,1196 2.874,1197 3.009,1198 2.682,1199 2.637,1200 3.839,1201 2.682,1202 2.874,1203 2.956,1204 2.663,1205 2.618,1206 3.77,1207 2.57,1208 0.184,1209 0.166,1210 0.3,1211 0.18,1212 0.139,1213 4.406,1214 0.165,1215 3.979,1216 0.098,1217 7.206,1218 0.497,1219 4.332,1220 0.139,1221 3.331,1222 3.954,1223 2.341,1224 11.924,1225 3.327,1226 1.907,1227 1.879,1228 2.056,1229 2.008,1230 1.383,1231 2.024,1232 1.812,1233 1.769,1234 1.974,1235 1.955,1236 1.159,1237 1.966,1238 1.615,1239 1.57,1240 1.833,1241 1.771,1242 0.999,1243 1.794,1244 1.473,1245 1.428,1246 1.662,1247 1.594,1248 0.755,1249 1.619,1250 1.366,1251 1.351,1252 1.527,1253 1.453,1254 0.67,1255 1.506,1256 1.088,1257 1.038,1258 1.417,1259 1.276,1260 0.565,1261 1.308,1262 0.934,1263 0.817,1264 1.279,1265 1.239,1266 0.469,1267 1.295,1268 0.857,1269 0.804,1270 1.068,1271 1.215,1272 0.276,1273 1.204,1274 3.892,1276 5.176,1277 2.398,1278 6.645,1279 4.443,1280 8.196,1281 6.293,1282 9.788,1284 3.579,1289 9.142,1290 3.557,1296 -0.635,1300 28.433,1301 67.331,1302 160.026,1303 209.064,1304 228.574,1305 228.574,1306 228.574,1307 50.039,1308 6.172,1309 50.19,1310 78.43,1311 11,1312 11.979,1313 3.807,1314 3.087,1315 45.371,1316 84,1317 74,1318 0.256,1319 183.664,1320 319.35,1321 439.9,1322 3060,1324 16.709,1325 0.726,1326 0.629,1327 17.062,1328 14.475,1329 11.005,1330 0.459,1331 0.365,1332 7.915,1333 10.303,1334 7.531,1335 6.348,1336 11.459,1337 8.763,1338 9.849,1339 0.308,1340 0.226,1341 10.432,1342 7.219,1343 7.682,1344 0.202,1345 0.128,1346 8.348,1347 4.846,1348 5.23,1349 0.128,1350 0.077,1351 5.912,1352 3.168,1353 3.646,1354 0.085,1355 0.043,1356 4.024,1357 1.862,1358 0.407,1359 72.225,1360 0.254,1361 22.904,1362 0.686,1363 112,1364 298.391,1365 140.098,1366 314.86,1367 418.33,1368 292,1369 126,1370 279.179,1371 149.858,1372 302.621,1373 431.84,1374 282,1375 7.367} {0 CHEMBL419943,1 1.619,2 8,3 1.694,4 2.869,5 81.753,6 7.676,7 0.625,8 3.782,9 3.891,10 3.371,11 3.261,12 4.951,13 3.271,14 4.296,15 4.465,16 3.699,17 3.642,18 5.482,19 3.632,20 4.453,21 4.634,22 3.631,23 3.756,24 5.479,25 3.692,26 4.553,27 4.768,28 3.622,29 3.798,30 5.53,31 3.705,32 4.525,33 4.747,34 3.65,35 3.766,36 5.499,37 3.68,38 4.543,39 4.764,40 3.645,41 3.691,42 5.613,43 3.631,44 4.442,45 4.663,46 3.464,47 3.538,48 5.543,49 3.473,50 4.376,51 4.613,52 3.194,53 3.297,54 5.519,55 3.217,56 0.067,57 0.577,58 7.675,59 3.341,60 9.157,61 4.224,62 0.357,63 0.906,64 14.938,65 5.157,66 40.105,67 6.823,68 0.297,69 1.003,70 17.822,71 6.801,72 36.123,73 8.913,74 0.414,75 1.086,76 20.664,77 7.586,78 36.145,79 10.45,80 0.234,81 1.046,82 19.933,83 7.75,84 23.623,85 10.891,86 0.398,87 1.024,88 21.194,89 7.063,90 35.465,91 9.726,92 0.314,93 0.896,94 19.178,95 6.254,96 34.941,97 8.559,98 0.593,99 0.739,100 19.806,101 5.475,102 59.518,103 7.398,104 16,105 33,106 0.288,107 0.68,108 0.859,109 0.89,110 0.89,111 0.89,112 3.147,113 0.876,114 -2.47,115 -2.49,116 -2.44,118 41,120 1,123 1,124 2,140 3,141 2,142 1,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 8,175 1,177 1,180 3,186 5,187 1,194 3,197 2,198 3,201 1,206 4,209 1,210 2,218 2,219 3,221 2,222 6,227 3,230 2,234 4,235 1,239 2,246 2,247 2,248 1,250 1,258 1,260 1,262 1,270 640,271 14.955,272 14.955,273 14.955,274 14.955,275 14.955,276 13.005,277 18.749,278 8.918,279 15.414,280 11.819,281 11.819,282 11.819,283 11.819,284 11.819,285 8.786,286 24.38,287 4.213,288 12.459,289 3.667,290 1.46,291 0.449,292 0.276,293 0.276,294 0.276,295 3.826,298 1,299 1,300 1,301 371,302 3.162,305 100.592,306 55.092,309 85.44,313 1.273,314 19.161,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 176,327 4.658,328 3.6,329 6.765,330 4.187,331 3.217,332 4.625,333 2.341,334 11.143,335 3.125,336 3.936,337 3.309,338 5.648,339 3.485,340 2.562,341 3.492,342 0.86,343 7.569,344 2.368,345 3.758,346 2.787,347 5.395,348 3.358,349 2.417,350 3.195,351 0.522,352 7.048,353 2.278,354 3.558,355 2.675,356 5.187,357 3.204,358 2.22,359 2.837,361 6.268,362 2.149,363 3.423,364 2.209,365 4.799,366 2.982,367 2.013,368 2.679,370 5.245,371 1.938,372 2.994,373 1.821,374 4.59,375 2.567,376 1.613,377 2.168,379 4.741,380 1.529,381 2.633,382 1.298,383 3.792,384 2.164,385 1.217,386 1.683,388 2.868,389 1.151,390 2.393,391 1.129,392 3.391,393 1.931,394 0.964,395 1.347,397 2.341,398 0.929,399 2.118,400 1.051,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.769,409 0.865,410 2.98,411 1.509,412 0.573,413 0.647,415 1.149,416 0.525,417 1.582,418 0.618,419 2.845,420 1.288,421 0.379,422 0.438,424 0.662,425 0.343,426 1.04,427 0.378,428 2.647,429 0.703,430 -0.239,431 -0.298,433 -0.617,434 -0.224,435 0.727,436 0.003,437 2.321,438 0.335,439 -0.63,440 -0.754,442 -1.511,443 -0.59,444 0.676,445 -0.235,446 2.176,447 0.221,448 -0.75,449 -1.007,451 -2,452 -0.722,453 0.457,454 -0.528,455 1.945,456 0.007,457 -1,458 -1.289,460 -2.219,461 -0.949,462 10.2,463 0.464,464 0.503,465 0.023,466 29,467 1.318,468 14,469 0.636,470 15,471 0.682,472 15.289,473 0.695,474 24,475 0.615,476 20.392,477 0.927,478 6.047,479 0.275,480 4.622,481 0.21,482 0.114,484 0.324,487 0.861,488 1.522,489 0.755,490 1.185,491 0.707,492 0.987,493 0.944,494 0.942,495 0.888,496 0.802,497 0.471,498 0.807,499 1.02,500 1.127,501 1.115,502 1.103,503 0.986,504 1.127,505 0.718,506 0.944,507 1.045,508 1.027,509 0.746,510 1.092,511 0.497,512 1.163,513 0.81,514 1.165,515 0.443,516 1.074,517 0.961,518 1.017,519 0.946,520 1.01,521 0.883,522 0.98,523 1.122,524 1.133,525 1.073,526 1.159,527 0.974,528 1.107,529 1.528,530 0.778,531 1.226,532 0.857,533 1.672,534 0.969,535 4.5,536 0.04,537 2,538 1.549,539 0.933,540 0.785,541 0.61,542 0.218,543 0.212,544 0.12,545 4604,546 14460,547 2.07,548 43.6,550 10,551 2,552 2,553 1,554 2,558 1.651,559 1.941,560 3.037,561 -0.265,562 1,563 1,565 1,567 63.134,568 1.619,569 3.826,570 4.836,571 5.01,572 5.01,573 5.01,574 2.313,575 4.096,576 4.423,577 3.201,578 739.468,579 7.638,580 8156.98,581 1,582 1,584 1,585 206.131,586 1.395,587 4.392,588 0.188,589 0.007,590 0.061,591 0.052,592 0.032,593 0.026,594 0.021,595 0.009,596 0.013,597 0.011,598 0.419,599 0.5,600 1,601 1.315,602 100.104,603 -0.077,604 -0.334,605 0.049,606 -0.127,607 -0.061,608 -0.036,609 -0.024,610 0.2,611 0.009,612 0.174,613 0.168,614 0.12,615 -0.18,616 -0.082,617 -0.221,618 -0.08,619 -0.171,620 -0.148,621 0.016,622 0.077,623 -0.127,624 -0.024,625 -0.076,626 -0.096,627 0.115,628 -0.183,629 0.103,630 -0.133,631 0.088,632 -0.038,633 -0.022,634 -0.038,635 0.027,636 -0.041,637 -0.011,638 -0.005,639 -0.123,640 -0.171,641 -0.089,642 -0.199,643 -0.024,644 -0.14,645 -0.118,646 0.096,647 -0.138,648 0.049,649 -0.221,650 -0.039,651 2.466,652 3.827,653 0.636,654 19.19,655 1.012,656 1.129,657 1.236,658 1.528,659 0.659,660 3.219,661 3.526,662 3.784,663 4.078,664 4.277,665 4.443,666 4.615,667 4.682,668 4.635,669 4.554,670 5.233,671 0.638,672 299.36,673 3.219,674 4.745,675 5.587,676 6.466,677 7.339,678 8.231,679 9.119,680 10.018,681 10.914,682 11.817,683 7.7,691 2,693 1,698 2,699 7,700 1,704 2,705 2,706 15,722 1,724 39,726 16,727 1,728 24,730 41,731 16,733 11,734 3,735 3,739 3,740 4,751 1,753 12,754 4,756 1,761 1,765 1,768 1,769 1,772 17,773 4,774 1,775 6,778 1,779 3,784 0.667,785 3,797 1,801 2,802 1,805 1,818 1,830 1,832 2,836 1,840 22,845 1,846 3,848 1,862 7.7,864 1,865 1,867 1,869 11.333,870 7.217,871 4.917,872 2.147,874 2.807,875 1.41,876 0.958,877 4.27,878 9.657,879 3.512,880 4.135,881 4.734,882 5.376,883 5.839,884 6.261,885 6.729,886 7.107,887 7.25,888 7.45,889 0.667,890 30,891 8.085,893 3.376,894 7.879,895 15.292,897 12.29,899 2.379,900 52.333,904 188.338,905 95.875,906 20.584,908 78.828,911 95.875,912 267.166,913 20.584,914 10.883,915 6.746,916 46.524,917 117.684,918 34.847,919 25.686,920 141.253,922 188.338,923 116.458,924 78.828,927 188.338,928 78.828,931 28.21,932 71.463,933 16.786,935 188.338,936 99.412,937 95.875,940 188.338,941 20.802,942 78.871,944 95.614,945 188.338,946 99.412,947 95.875,949 0.572,950 0.321,951 0.176,952 0.098,953 16,954 7,955 0.146,956 6,957 1,958 1.143,959 3.428,960 171.766,961 0.143,962 14,963 98.107,968 14.818,969 6.34,970 3.235,971 2.079,972 95.614,973 13.255,974 4.052,978 1.896,979 3.963,980 42.683,981 383.624,982 32.5,987 10.827,991 -0.8,994 39.473,995 44.03,996 0.306,997 0.724,998 0.915,999 0.948,1000 0.948,1001 0.948,1002 4.725,1003 0.964,1004 5.565,1005 2.868,1006 4.205,1007 4.82,1008 2.45,1009 6.365,1010 4.11,1011 5.939,1012 0.618,1013 7.111,1014 2.341,1015 3.761,1016 4.677,1017 2.243,1018 7.248,1019 3.63,1020 7.251,1021 0.573,1022 8.757,1023 1.372,1024 5.778,1025 7.079,1026 3.661,1027 10.359,1028 5.603,1029 8.602,1030 0.379,1031 10.464,1032 1.149,1033 6.176,1034 7.826,1035 4.112,1036 12.131,1037 5.966,1038 9.988,1039 -0.239,1040 12.212,1041 0.662,1042 7.647,1043 9.678,1044 5.206,1045 14.77,1046 7.407,1047 11.4,1048 -0.63,1049 13.991,1050 -0.617,1051 8.444,1052 10.85,1053 5.889,1054 16.925,1055 8.176,1056 12.832,1057 -0.75,1058 15.793,1059 -1.511,1060 9.709,1061 12.494,1062 6.849,1063 19.411,1064 9.416,1065 3.217,1066 -1,1067 17.614,1068 -2,1069 10.7,1070 13.867,1071 7.625,1072 21.724,1073 10.384,1074 2.562,1075 11.143,1076 19.452,1077 -2.219,1078 11.889,1079 15.434,1080 8.526,1081 24.159,1082 11.55,1083 2.417,1084 7.569,1085 21.302,1086 4.625,1087 12.973,1088 16.896,1089 9.342,1090 26.532,1091 12.611,1092 2.22,1093 7.048,1094 23.164,1095 3.492,1096 14.139,1097 18.437,1098 10.216,1099 28.951,1100 13.753,1101 2.013,1102 6.268,1103 25.035,1104 3.195,1105 15.266,1106 19.938,1107 11.051,1108 31.347,1109 14.857,1110 1.613,1111 5.245,1112 26.913,1113 2.837,1114 16.427,1115 21.47,1116 11.912,1117 33.761,1118 15.993,1119 1.217,1120 4.741,1121 28.797,1122 2.679,1123 17.574,1124 22.988,1125 12.755,1126 36.166,1127 17.116,1128 4582,1129 8192,1130 16.008,1131 25.71,1132 35.852,1133 36.338,1134 36.283,1135 35.557,1136 35.586,1137 48.078,1138 7.445,1139 100.812,1140 33.825,1141 5.478,1142 5.6,1143 6.379,1144 5.246,1145 5.217,1146 7.625,1147 3.925,1148 18.21,1149 5.125,1150 10.369,1151 1.494,1152 1.514,1153 1.512,1154 1.482,1155 1.483,1156 2.003,1157 0.31,1158 4.2,1159 1.409,1160 4.16,1161 4.194,1162 4.123,1163 4.064,1164 7.474,1165 4.074,1166 3.877,1167 3.943,1168 3.821,1169 3.669,1170 6.351,1171 3.699,1172 3.633,1173 3.665,1174 3.542,1175 3.449,1176 4.997,1177 3.462,1178 3.447,1179 3.474,1180 3.369,1181 3.267,1182 4.91,1183 3.28,1184 3.164,1185 3.239,1186 3.009,1187 2.947,1188 4.584,1189 2.954,1190 3.078,1191 3.132,1192 2.91,1193 2.804,1194 4.051,1195 2.817,1196 2.776,1197 2.855,1198 2.604,1199 2.614,1200 3.864,1201 2.601,1202 2.745,1203 2.811,1204 2.549,1205 2.472,1206 3.557,1207 2.488,1208 0.194,1209 0.15,1210 0.282,1211 0.174,1212 0.134,1213 4.658,1214 0.193,1215 3.6,1216 0.098,1217 6.765,1218 0.464,1219 4.187,1220 0.13,1221 3.217,1222 4.625,1223 2.341,1224 11.143,1225 3.125,1226 1.942,1227 1.922,1228 2.023,1229 2.041,1230 1.222,1231 2.036,1232 1.722,1233 1.667,1234 1.883,1235 1.92,1236 1.138,1237 1.911,1238 1.539,1239 1.488,1240 1.732,1241 1.768,1242 0.914,1243 1.756,1244 1.324,1245 1.273,1246 1.565,1247 1.546,1248 0.578,1249 1.535,1250 1.245,1251 1.187,1252 1.502,1253 1.527,1254 0.551,1255 1.523,1256 1.199,1257 1.132,1258 1.395,1259 1.478,1260 0.39,1261 1.464,1262 0.953,1263 0.898,1264 1.172,1265 1.204,1266 0.261,1267 1.2,1268 0.742,1269 0.674,1270 1.057,1271 0.962,1272 0.134,1273 0.987,1274 3.892,1276 5.198,1277 3.045,1278 6.683,1279 5.352,1280 8.259,1281 7.413,1282 9.892,1284 1.637,1289 8.898,1290 1.228,1292 5.297,1300 24.896,1301 63.134,1302 149.195,1303 188.621,1304 195.376,1305 195.376,1306 195.376,1307 31.752,1308 6.85,1309 69.28,1310 69.28,1311 16,1312 12.339,1313 4.087,1314 3.248,1315 34.19,1316 68,1317 66,1318 0.255,1319 153.948,1320 256.47,1321 367.392,1322 7255,1324 15.527,1325 0.706,1326 0.558,1327 15.527,1328 12.268,1329 10.669,1330 0.445,1331 0.292,1332 6.862,1333 10.093,1334 6.699,1335 5.549,1336 10.669,1337 7.004,1338 9.528,1339 0.289,1340 0.155,1341 9.528,1342 5.11,1343 7.683,1344 0.179,1345 0.085,1346 7.683,1347 3.649,1348 6.381,1349 0.11,1350 0.045,1351 6.381,1352 2.581,1353 4.956,1354 0.07,1355 0.024,1356 4.956,1357 1.737,1358 0.385,1359 67.972,1360 0.25,1361 21.464,1362 0.742,1363 114,1364 370.556,1365 127.246,1366 351.15,1367 471.3,1368 328,1369 133,1370 338.311,1371 145.671,1372 342.655,1373 493.48,1374 319,1375 7.367} {0 CHEMBL420086,1 1.309,2 11.357,3 5.585,4 31.187,5 112.978,6 7.01,7 0.6,8 4.022,9 4.134,10 3.53,11 3.65,12 5.131,13 3.596,14 4.518,15 4.676,16 3.807,17 4.02,18 5.614,19 3.927,20 4.822,21 5.044,22 3.837,23 4.151,24 5.734,25 4.023,26 4.876,27 5.106,28 3.804,29 4.137,30 5.82,31 4.004,32 4.889,33 5.113,34 3.884,35 4.171,36 5.875,37 4.047,38 4.973,39 5.21,40 3.824,41 4.168,42 5.988,43 4.028,44 4.903,45 5.167,46 3.619,47 4.05,48 5.806,49 3.881,50 4.721,51 4.995,52 3.506,53 3.895,54 5.567,55 3.733,56 0.045,57 0.651,58 10.981,59 5.205,60 10.024,61 6.85,62 0.183,63 1.066,64 18.953,65 8.595,66 39.111,67 11.652,68 0.165,69 1.402,70 27.369,71 11.811,72 33.528,73 16.17,74 0.251,75 1.451,76 29.682,77 12.208,78 48.827,79 16.475,80 0.199,81 1.488,82 29.634,83 12.393,84 44.712,85 16.862,86 0.294,87 1.61,88 33.099,89 13.052,90 65.171,91 17.684,92 0.263,93 1.5,94 31.29,95 12.399,96 54.275,97 17.164,98 0.182,99 1.252,100 25.968,101 10.555,102 34.619,103 14.794,104 6,105 38,106 0.217,107 0.516,108 0.688,109 0.822,110 0.866,111 0.873,112 3.374,113 0.967,114 -5.47,115 -5.35,116 -4.99,118 47.2,120 4,121 1,133 1,134 1,140 12,141 3,143 2,154 1,163 1,167 1,168 23,169 1,172 3,175 1,177 1,180 27,181 2,186 4,191 2,194 26,195 2,198 4,203 2,206 23,207 3,210 6,215 3,218 22,219 3,222 6,227 3,229 19,230 2,234 4,239 2,242 16,243 2,247 3,252 2,255 14,256 3,259 4,260 1,264 3,267 14,268 3,270 1264,271 19.294,272 19.294,273 19.294,274 19.294,275 19.294,276 16.7,277 8.85,278 12.105,279 19.365,280 14.866,281 14.866,282 14.866,283 14.866,284 14.866,285 11.208,286 4.878,287 5.788,288 14.965,289 4.419,290 2.607,291 1.571,292 0.76,293 0.491,294 0.453,295 4.061,299 1,300 1,301 676,302 3.937,306 332.475,313 1.546,314 19.937,317 0.75,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.84,325 58.5,326 318,327 4.369,328 3.73,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.002,336 4.006,337 3.024,338 5.967,339 3.795,340 2.793,341 3.468,343 8.434,344 2.789,345 3.744,346 2.73,347 5.262,348 3.377,349 2.376,350 3.298,352 6.614,353 2.373,354 3.736,355 2.278,356 5.247,357 3.27,358 2.278,359 2.99,361 6.4,362 2.259,363 3.278,364 2.073,365 4.223,366 2.792,367 1.802,368 2.58,370 4.056,371 1.782,372 2.924,373 1.869,374 3.873,375 2.561,376 1.565,377 2.078,379 3.348,380 1.551,381 2.781,382 1.583,383 3.64,384 2.478,385 1.478,386 1.908,388 3.124,389 1.476,390 2.764,391 1.452,392 3.555,393 2.301,394 1.317,395 1.783,397 2.88,398 1.294,399 2.522,400 1.317,401 3.476,402 2.124,403 1.122,404 1.5,406 2.581,407 1.114,408 2.5,409 1,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.5,427 1,428 3.247,429 1.956,430 1,431 1.439,433 2.136,434 0.954,435 2.054,436 0.845,437 3.203,438 1.721,439 0.722,440 0.913,442 1.754,443 0.718,444 1.291,445 0.455,446 2.789,447 1.154,448 0.156,449 0.173,451 0.376,452 0.156,453 0.936,454 0.31,455 2.308,456 0.66,457 -0.341,458 -0.395,460 -0.809,461 -0.339,462 13.567,463 0.485,464 0.435,465 0.016,466 37,467 1.321,468 21,469 0.75,470 16,471 0.571,472 21.983,473 0.785,474 29.033,475 0.548,476 26.638,477 0.951,478 7.385,479 0.264,480 6.352,481 0.227,482 0.049,484 0.221,487 0.739,488 1.029,489 0.863,490 0.972,491 0.706,492 0.937,493 0.467,494 1.115,495 1.007,496 1.118,497 0.447,498 1.113,499 0.762,500 1.029,501 0.979,502 1.041,503 0.816,504 1.034,505 1.184,506 0.968,507 1.047,508 0.98,509 1.232,510 1.001,511 0.96,512 1.066,513 0.99,514 1.054,515 0.962,516 1.031,517 1.311,518 1.057,519 1.121,520 1.051,521 1.273,522 1.065,523 1.056,524 0.981,525 1.055,526 0.995,527 1.045,528 1.019,529 0.748,530 0.888,531 0.882,532 0.911,533 0.759,534 0.907,535 3.5,536 0.153,537 2.222,538 1.438,539 0.933,540 0.424,541 0.301,542 0.297,543 0.246,544 0.234,545 10232,546 25365,547 2.076,548 47.2,549 8,550 13,552 2,553 1,554 1,558 1.712,559 2,560 3.471,561 -0.465,567 69.387,568 1.309,569 3.121,570 4.157,571 4.968,572 5.237,573 5.275,574 2.802,575 3.736,576 4.783,577 3.651,578 1380.09,579 8.321,580 19238.1,585 303.58,586 1.095,587 4.765,588 0.117,589 0.005,590 0.058,591 0.038,592 0.026,593 0.011,594 0.009,595 0.011,596 0.009,597 0.008,598 0.292,599 0.5,600 0.88,601 0.615,602 142.519,603 -0.039,604 0.02,605 0.02,606 0.049,607 -0.04,608 0.04,609 0.179,610 -0.084,611 -0.104,612 -0.113,613 0.175,614 -0.131,615 -0.017,616 -0.051,617 -0.029,618 -0.044,619 -0.048,620 -0.039,621 -0.103,622 -0.002,623 -0.061,624 0.005,625 -0.124,626 -0.021,627 -0.017,628 -0.089,629 -0.018,630 -0.067,631 -0.008,632 -0.047,633 -0.111,634 -0.073,635 -0.118,636 -0.084,637 -0.079,638 -0.099,639 -0.071,640 -0.011,641 -0.055,642 -0.025,643 -0.074,644 -0.036,645 0.027,646 0.074,647 0.105,648 0.07,649 0.002,650 0.093,651 2.386,652 4.651,653 0.643,654 25.51,655 0.988,656 1.111,657 4.24,658 17.977,659 0.68,660 3.434,661 3.664,662 3.871,663 4.06,664 4.234,665 4.094,666 4.159,667 4.205,668 4.174,669 4.078,670 7.009,671 0.637,672 371.51,673 3.434,674 4.92,675 5.727,676 6.555,677 7.381,678 8.216,679 9.048,680 9.885,681 10.721,682 11.559,683 1.9,693 1,699 14,700 1,704 3,706 18,724 53,726 20,727 2,728 30,730 55,731 25,733 17,734 2,735 10,736 2,739 3,740 3,751 4,753 20,754 5,755 1,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 3,818 1,822 1,823 1,830 1,832 3,840 28,845 1,846 4,850 1,862 3.8,864 1,865 1,869 14,870 9.15,871 6.417,872 3.253,874 2.54,875 1.376,876 0.952,877 7.289,878 9.293,879 3.738,880 4.241,881 4.738,882 5.23,883 5.721,884 5.641,885 5.984,886 6.221,887 6.372,888 6.444,889 1,890 38,891 10.356,893 4.272,894 7.702,895 19.975,897 16.088,899 2.202,900 61.667,904 282.506,905 165.076,906 16.786,908 67.828,911 165.076,912 350.335,913 16.786,915 10.138,916 123.191,917 109.066,918 30.837,920 258.964,922 282.506,923 181.862,924 67.828,927 282.506,928 67.828,931 28.233,932 127.367,933 26.262,935 282.506,936 84.614,937 165.076,940 282.506,941 23.79,942 141.286,944 84.614,945 282.506,946 84.614,947 165.076,949 0.555,950 0.316,951 0.173,952 0.096,953 15,954 6,955 0.164,956 9,958 1,959 4.089,960 223.448,962 18,963 126.606,968 19.728,969 10.345,970 5.998,972 84.614,973 27.724,974 4.239,978 3.299,980 42.683,981 532.197,982 41,987 11.651,989 2.202,991 0.423,994 52.36,995 58.9,996 0.229,997 0.545,998 0.726,999 0.867,1000 0.914,1001 0.921,1002 4.909,1003 1.317,1004 5.645,1005 3.124,1006 4.344,1007 4.927,1008 2.258,1009 6.354,1010 4.333,1011 6.063,1012 1.122,1013 7.133,1014 2.88,1015 3.611,1016 4.27,1017 2.243,1018 7.086,1019 3.604,1020 7.315,1021 1,1022 8.731,1023 2.581,1024 5.82,1025 6.975,1026 3.628,1027 10.188,1028 5.804,1029 8.602,1030 1,1031 10.4,1032 2.136,1033 5.994,1034 7.168,1035 4.112,1036 11.855,1037 5.985,1038 9.924,1039 1,1040 12.118,1041 2.136,1042 7.59,1043 9.288,1044 5.201,1045 14.425,1046 7.572,1047 11.27,1048 0.722,1049 13.869,1050 2.136,1051 8.211,1052 9.923,1053 5.889,1054 16.461,1055 8.2,1056 12.637,1057 0.156,1058 15.645,1059 1.754,1060 9.526,1061 11.739,1062 6.849,1063 18.855,1064 9.506,1065 3.006,1066 -0.341,1067 17.438,1068 0.376,1069 10.375,1070 12.638,1071 7.625,1072 21.045,1073 10.36,1074 2.793,1075 10.173,1076 19.243,1077 -0.809,1078 11.557,1079 14.273,1080 8.526,1081 23.38,1082 11.537,1083 2.376,1084 8.434,1085 21.058,1086 3.943,1087 12.523,1088 15.34,1089 9.342,1090 25.637,1091 12.505,1092 2.278,1093 6.614,1094 22.881,1095 3.468,1096 13.646,1097 16.866,1098 10.216,1099 27.954,1100 13.625,1101 1.802,1102 6.4,1103 24.71,1104 3.298,1105 14.671,1106 18.041,1107 11.051,1108 30.241,1109 14.65,1110 1.565,1111 4.056,1112 26.544,1113 2.99,1114 15.769,1115 19.5,1116 11.912,1117 32.553,1118 15.745,1119 1.478,1120 3.348,1121 28.382,1122 2.58,1123 16.823,1124 20.745,1125 12.755,1126 34.855,1127 16.799,1128 9887,1129 15662,1130 20.455,1131 36.052,1132 43.822,1133 44.033,1134 44.015,1135 43.251,1136 43.234,1137 58.146,1138 4.682,1139 112.295,1140 42.932,1141 5.266,1142 5.73,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.002,1150 9.737,1151 1.461,1152 1.468,1153 1.467,1154 1.442,1155 1.441,1156 1.938,1157 0.156,1158 3.743,1159 1.431,1160 4.007,1161 4.038,1162 3.946,1163 3.95,1164 7.474,1165 3.945,1166 3.927,1167 3.957,1168 3.853,1169 3.868,1170 6.351,1171 3.86,1172 3.788,1173 3.828,1174 3.716,1175 3.704,1176 4.925,1177 3.702,1178 3.714,1179 3.758,1180 3.605,1181 3.596,1182 4.753,1183 3.589,1184 3.48,1185 3.519,1186 3.37,1187 3.346,1188 4.736,1189 3.343,1190 3.151,1191 3.197,1192 3.036,1193 3.019,1194 4.251,1195 3.008,1196 3.043,1197 3.072,1198 2.911,1199 2.818,1200 3.975,1201 2.84,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.803,1207 2.715,1208 0.146,1209 0.124,1210 0.217,1211 0.133,1212 0.1,1213 4.369,1214 0.131,1215 3.73,1216 0.078,1217 6.498,1218 0.339,1219 4.005,1220 0.1,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.002,1226 1.976,1227 1.952,1228 2.093,1229 2.054,1230 1.384,1231 2.068,1232 1.931,1233 1.902,1234 2.059,1235 2.017,1236 1.203,1237 2.033,1238 1.784,1239 1.748,1240 1.935,1241 1.893,1242 1.095,1243 1.905,1244 1.714,1245 1.668,1246 1.899,1247 1.859,1248 0.943,1249 1.879,1250 1.461,1251 1.419,1252 1.673,1253 1.638,1254 0.869,1255 1.646,1256 1.148,1257 1.095,1258 1.394,1259 1.321,1260 0.571,1261 1.339,1262 0.951,1263 0.922,1264 1.195,1265 1.243,1266 0.352,1267 1.217,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.111,1276 5.361,1278 6.81,1280 8.344,1282 9.92,1289 9.575,1290 2.905,1294 -0.352,1300 33.773,1301 69.387,1302 165.428,1303 220.296,1304 263.315,1305 277.58,1306 279.58,1307 53.514,1308 6.753,1309 50.19,1310 50.19,1311 18,1312 12.126,1313 4.392,1314 3.585,1315 49.636,1316 120,1317 108,1318 0.198,1319 210.984,1320 370.82,1321 506.561,1322 7022,1324 19.606,1325 0.7,1326 0.567,1327 19.606,1328 15.869,1329 13.737,1330 0.458,1331 0.322,1332 9.619,1333 13.521,1334 9.394,1335 7.85,1336 13.737,1337 9.665,1338 11.488,1339 0.302,1340 0.181,1341 11.488,1342 6.881,1343 9.177,1344 0.195,1345 0.103,1346 9.177,1347 4.837,1348 7.342,1349 0.129,1350 0.059,1351 7.342,1352 3.364,1353 5.966,1354 0.088,1355 0.034,1356 5.966,1357 2.308,1358 0.316,1359 84.078,1360 0.221,1361 27.106,1362 0.529,1363 136,1364 349.53,1365 141.816,1366 349.262,1367 471.46,1368 326,1369 153,1370 334.779,1371 157.821,1372 345.831,1373 493.08,1374 326,1375 7.237} {0 CHEMBL420137,1 1.648,2 16.395,3 3.356,4 11.261,5 145.916,6 7.735,7 0.439,8 4.321,9 4.433,10 3.945,11 3.871,12 5.442,13 3.836,14 4.848,15 5.009,16 4.259,17 4.238,18 5.931,19 4.169,20 5.089,21 5.3,22 4.281,23 4.321,24 6.122,25 4.233,26 5.078,27 5.288,28 4.327,29 4.27,30 6.185,31 4.205,32 5.053,33 5.24,34 4.261,35 4.294,36 6.154,37 4.226,38 5.103,39 5.315,40 4.25,41 4.338,42 6.17,43 4.244,44 5.124,45 5.355,46 4.189,47 4.339,48 6.152,49 4.215,50 5.086,51 5.331,52 4.133,53 4.283,54 6.057,55 4.162,56 0.098,57 1.008,58 14.107,59 6.521,60 13.127,61 8.112,62 0.396,63 1.61,64 29.986,65 11.029,66 42.825,67 13.793,68 0.558,69 1.89,70 39.536,71 13.58,72 65.836,73 17.383,74 0.639,75 1.872,76 41.251,77 12.446,78 78.164,79 15.893,80 0.609,81 1.798,82 37.041,83 12.778,84 74.954,85 15.814,86 0.683,87 1.904,88 38.27,89 13.517,90 72.568,91 17.96,92 0.632,93 1.939,94 40.662,95 14.657,96 78.289,97 19.66,98 0.507,99 1.842,100 39.08,101 13.978,102 62.144,103 19.083,104 19,105 53,106 0.258,107 0.601,108 0.809,109 0.899,110 0.913,111 0.918,112 3.667,113 0.998,114 -3.68,115 -3.65,116 -3.47,118 40.6,119 1,120 3,124 3,126 1,127 1,140 8,141 3,142 1,143 4,153 1,154 2,162 1,168 10,171 1,172 10,175 1,177 4,180 9,186 11,189 1,190 1,191 3,194 6,197 1,198 15,201 1,203 3,206 6,209 1,210 9,213 1,215 4,218 7,221 2,222 4,225 1,227 4,229 10,233 4,234 4,237 2,239 3,242 12,246 1,247 3,250 1,252 2,255 11,258 1,259 10,262 1,264 2,267 9,270 3466,271 26.25,272 26.25,273 26.25,274 26.25,275 26.25,276 23.605,277 23.102,278 16.332,279 26.949,280 20.279,281 20.279,282 20.279,283 20.279,284 20.279,285 16.323,286 22.888,287 7.757,288 21.257,289 4.461,290 2.268,291 0.938,292 0.359,293 0.272,294 0.243,295 4.364,300 1,301 1324,302 4.583,305 120.847,306 441.476,313 2.699,314 38.429,317 0.75,318 0.5,319 0.67,320 0.9,321 0.5,322 0.5,323 0.5,324 0.62,325 82.5,326 623,327 4.393,328 4.548,329 6.508,330 4.019,331 3.036,332 3.987,333 3.528,334 10.225,335 2.985,336 4.147,337 4,338 6.256,339 3.918,340 2.975,341 3.562,342 2.443,343 9.442,344 2.811,345 3.981,346 3.698,347 5.935,348 3.643,349 2.667,350 3.495,351 2.373,352 8.337,353 2.592,354 3.792,355 3.681,356 5.463,357 3.41,358 2.424,359 3.101,360 1.955,361 7.19,362 2.389,363 3.655,364 2.987,365 5.045,366 3.35,367 2.373,368 2.826,369 0.545,370 6.066,371 2.297,372 3.462,373 2.958,374 5.029,375 3.027,376 2.062,377 2.792,378 0.286,379 5.877,380 1.987,381 3.196,382 2.54,383 4.523,384 2.777,385 1.843,386 2.372,387 0.207,388 4.631,389 1.703,390 3,391 2.172,392 4.147,393 2.701,394 1.753,395 2.162,397 3.864,398 1.649,399 2.794,400 2.082,401 3.889,402 2.484,403 1.518,404 1.84,406 3.357,407 1.463,408 2.722,409 1.968,410 3.745,411 2.297,412 1.329,413 1.769,415 3.111,416 1.275,417 2.649,418 1.828,419 3.505,420 2.216,421 1.267,422 1.685,424 2.709,425 1.196,426 2.517,427 1.74,428 3.467,429 2.155,430 1.173,431 1.5,433 2.566,434 1.146,435 2.5,436 1.522,437 3.438,438 1.958,439 1,440 1.5,442 2.239,443 0.954,444 2.5,445 1.376,446 3.261,447 1.957,448 1,449 1.468,451 2.136,452 0.954,453 2.147,454 1.22,455 3.247,456 1.95,457 1,458 1.106,460 2.136,461 0.938,462 18.167,463 0.478,464 0.623,465 0.016,466 47.25,467 1.243,468 23,469 0.605,470 24.25,471 0.638,472 35.254,473 0.928,474 41.233,475 0.598,476 38.428,477 1.011,478 9.082,479 0.239,480 9.553,481 0.251,482 0.064,484 0.248,487 0.709,488 1.247,489 0.757,490 1.033,491 0.566,492 0.967,493 0.881,494 1.251,495 1.105,496 1.185,497 0.64,498 1.064,499 1.147,500 1.044,501 1.01,502 0.967,503 1.054,504 0.961,505 1.361,506 1.007,507 1.044,508 0.978,509 1.417,510 0.902,511 1.46,512 1.04,513 1.088,514 0.979,515 1.433,516 1.002,517 0.913,518 1.021,519 0.936,520 0.949,521 0.882,522 1.013,523 0.705,524 0.981,525 0.959,526 1.014,527 0.761,528 1.058,529 0.69,530 0.947,531 0.834,532 0.922,533 0.652,534 0.958,535 5.5,536 0.233,537 3.333,538 1.875,539 1.304,540 0.82,541 0.616,542 0.445,543 0.312,544 0.269,545 24874,546 70328,547 2.084,548 44.9,549 2,550 15,551 1,552 4,553 2,554 2,555 5,558 1.788,559 2,560 3.95,561 0.175,567 113.693,568 1.648,569 3.84,570 5.17,571 5.75,572 5.837,573 5.866,574 3.495,575 4.932,576 5.211,577 4.15,578 2917.43,579 9.189,580 51715.4,585 421.488,586 1.156,587 5.202,588 0.134,589 0.005,590 0.063,591 0.035,592 0.025,593 0.015,594 0.012,595 0.009,596 0.007,597 0.006,598 0.311,599 0.33,600 0.63,601 1.67,602 215.305,603 0.034,604 -0.077,605 0.064,606 -0.002,607 0.007,608 0.008,609 0.035,610 -0.14,611 -0.069,612 -0.099,613 0.044,614 -0.082,615 -0.094,616 -0.031,617 -0.014,618 0.023,619 -0.074,620 0.01,621 -0.136,622 0.031,623 0.02,624 0.014,625 -0.119,626 0.042,627 -0.191,628 -0.027,629 -0.126,630 -0.01,631 -0.179,632 -0.056,633 0.056,634 -0.016,635 -0.036,636 -0.008,637 0.016,638 -0.043,639 0.112,640 0.006,641 -0.022,642 -0.041,643 0.081,644 -0.06,645 0.075,646 0.015,647 0.077,648 0.03,649 0.078,650 0.049,651 1.87,652 6.004,653 0.605,654 56.285,655 1.006,656 1.125,657 2.449,658 5.996,659 0.672,660 3.738,661 3.989,662 4.22,663 4.443,664 4.605,665 4.644,666 4.754,667 4.852,668 4.913,669 4.99,670 9.325,671 0.638,672 533.71,673 3.738,674 5.242,675 6.061,676 6.905,677 7.744,678 8.597,679 9.446,680 10.305,681 11.159,682 12.022,683 7.2,685 1,690 1,692 1,693 2,699 12,700 2,704 4,706 18,709 1,724 69,726 21,727 1,728 41,730 72,731 28,733 16,734 2,735 4,736 1,739 4,740 4,745 1,748 1,751 4,753 19,754 9,756 3,761 2,764 1,765 3,772 31,773 9,774 2,775 10,776 1,779 5,784 1,785 4,795 2,801 1,802 3,816 1,819 1,826 1,832 4,833 1,834 1,836 1,840 38,846 6,847 2,848 2,849 1,850 2,862 5.8,865 2,867 2,869 19,870 12.35,871 8.694,872 4.239,874 2.981,875 1.377,876 0.949,877 10.693,878 10.894,879 3.989,880 4.472,881 4.954,882 5.446,883 5.917,884 6.003,885 6.368,886 6.651,887 6.86,888 7.097,889 1,890 53,891 14.068,893 5.848,894 7.768,895 26.806,897 21.419,899 2.268,900 86.167,904 341.362,905 197.699,906 88.992,908 72.509,910 32.22,911 165.479,912 413.87,913 88.992,914 8.825,915 35.699,916 93.821,917 145.598,918 90.122,919 11.771,920 314.726,922 341.362,923 254.472,924 72.509,925 32.22,927 282.506,928 131.364,931 118.124,932 102.776,933 33.571,934 32.22,935 341.362,936 161.501,937 197.699,940 341.362,941 76.874,942 120.825,943 36.022,944 125.479,945 341.362,946 161.501,947 197.699,949 0.557,950 0.318,951 0.174,952 0.09,953 21,954 9,955 0.181,956 13,958 1,959 4.979,960 345.161,962 23,963 199.421,964 1,968 27.779,969 14.628,970 8.381,972 161.501,973 22.085,974 8.377,978 3.281,980 36.022,981 700.562,982 53,987 24.496,990 4.385,991 0.3,994 69.381,995 77.647,996 0.27,997 0.629,998 0.846,999 0.941,1000 0.956,1001 0.96,1002 5.19,1003 1.753,1004 5.994,1005 4.631,1006 4.673,1007 5.159,1008 3.98,1009 6.73,1010 4.59,1011 6.336,1012 1.518,1013 7.498,1014 3.864,1015 4.007,1016 4.635,1017 2.899,1018 7.486,1019 3.936,1020 7.595,1021 1.329,1022 9.108,1023 3.357,1024 6.18,1025 7.182,1026 6.033,1027 10.594,1028 6.033,1029 8.889,1030 1.267,1031 10.785,1032 3.111,1033 6.415,1034 7.502,1035 5.257,1036 12.252,1037 6.267,1038 10.217,1039 1.173,1040 12.507,1041 2.709,1042 7.973,1043 9.489,1044 8.322,1045 14.832,1046 7.77,1047 11.569,1048 1,1049 14.26,1050 2.566,1051 8.641,1052 10.225,1053 7.708,1054 16.85,1055 8.423,1056 12.941,1057 1,1058 16.035,1059 2.239,1060 9.932,1061 11.946,1062 10.716,1063 19.249,1064 9.673,1065 3.036,1066 1,1067 17.826,1068 2.136,1069 10.815,1070 12.92,1071 10.273,1072 21.421,1073 10.533,1074 2.975,1075 10.225,1076 19.629,1077 2.136,1078 11.989,1079 14.493,1080 13.16,1081 23.755,1082 11.672,1083 2.667,1084 9.442,1085 21.442,1086 3.987,1087 12.978,1088 15.613,1089 12.886,1090 25.995,1091 12.635,1092 2.424,1093 8.337,1094 23.261,1095 3.562,1096 14.102,1097 17.099,1098 15.63,1099 28.306,1100 13.727,1101 2.373,1102 7.19,1103 25.087,1104 3.495,1105 15.144,1106 18.312,1107 15.508,1108 30.58,1109 14.743,1110 2.062,1111 6.066,1112 26.917,1113 3.101,1114 16.248,1115 19.748,1116 18.112,1117 32.884,1118 15.818,1119 1.843,1120 5.877,1121 28.751,1122 2.826,1123 17.316,1124 21.019,1125 18.124,1126 35.174,1127 16.86,1128 23912,1129 40356,1130 27.909,1131 46.392,1132 59.727,1133 65.085,1134 60.67,1135 59.197,1136 59.311,1137 75.395,1138 22.675,1139 157.848,1140 56.691,1141 5.343,1142 6.548,1143 6.337,1144 5.12,1145 5.036,1146 6.987,1147 6.918,1148 17.036,1149 4.985,1150 15.352,1151 1.457,1152 1.587,1153 1.48,1154 1.444,1155 1.447,1156 1.839,1157 0.553,1158 3.85,1159 1.383,1160 4.007,1161 4.039,1162 4.058,1163 3.924,1164 7.433,1165 3.924,1166 3.91,1167 3.946,1168 3.93,1169 3.834,1170 7.427,1171 3.817,1172 3.809,1173 3.85,1174 3.749,1175 3.709,1176 5.011,1177 3.712,1178 3.746,1179 3.788,1180 3.686,1181 3.579,1182 4.897,1183 3.577,1184 3.674,1185 3.718,1186 3.629,1187 3.559,1188 4.801,1189 3.539,1190 3.525,1191 3.578,1192 3.399,1193 3.293,1194 4.674,1195 3.298,1196 3.337,1197 3.393,1198 3.324,1199 3.127,1200 4.467,1201 3.138,1202 3.237,1203 3.286,1204 3.175,1205 3.052,1206 4.295,1207 3.048,1208 0.107,1209 0.111,1210 0.159,1211 0.098,1212 0.074,1213 4.393,1214 0.097,1215 4.548,1216 0.086,1217 6.508,1218 0.249,1219 4.019,1220 0.073,1221 3.036,1222 3.987,1223 3.528,1224 10.225,1225 2.985,1226 1.947,1227 1.922,1228 2.036,1229 2.047,1230 1.279,1231 2.044,1232 1.845,1233 1.81,1234 1.952,1235 1.968,1236 1.141,1237 1.969,1238 1.787,1239 1.751,1240 1.95,1241 1.919,1242 1.076,1243 1.923,1244 1.711,1245 1.662,1246 1.904,1247 1.905,1248 1.046,1249 1.911,1250 1.553,1251 1.513,1252 1.8,1253 1.756,1254 0.94,1255 1.759,1256 1.483,1257 1.42,1258 1.713,1259 1.738,1260 0.93,1261 1.746,1262 1.27,1263 1.215,1264 1.54,1265 1.539,1266 0.77,1267 1.536,1268 1.223,1269 1.184,1270 1.348,1271 1.374,1272 0.61,1273 1.415,1274 4.419,1276 5.687,1277 2.398,1278 7.143,1279 4.595,1280 8.685,1281 6.605,1282 10.273,1284 1.792,1290 3.101,1291 6.401,1292 10.552,1293 1.686,1294 -0.289,1300 44.002,1301 113.693,1302 264.982,1303 356.733,1304 396.733,1305 402.733,1306 404.733,1307 83.851,1308 7.913,1309 114.8,1310 140.1,1311 23,1312 12.573,1313 4.459,1314 3.7,1315 67.611,1316 205,1317 258,1318 0.151,1319 275.741,1320 487.81,1321 664.568,1322 34016,1324 26.581,1325 0.699,1326 0.58,1327 26.934,1328 22.025,1329 18.635,1330 0.455,1331 0.333,1332 12.501,1333 17.419,1334 12.159,1335 10.072,1336 19.089,1337 13.635,1338 15.684,1339 0.296,1340 0.183,1341 16.235,1342 9.704,1343 12.79,1344 0.191,1345 0.105,1346 13.494,1347 7.019,1348 10.539,1349 0.125,1350 0.061,1351 11.356,1352 5.099,1353 7.972,1354 0.081,1355 0.032,1356 8.568,1357 3.155,1358 0.245,1359 121.687,1360 0.189,1361 35.234,1362 0.396,1363 188,1364 595.404,1365 230.403,1366 585.272,1367 785.89,1368 550,1369 214,1370 548.815,1371 253.198,1372 558.797,1373 808.71,1374 526,1375 7.678} {0 CHEMBL420251,1 1.431,2 9.615,3 3.761,4 14.145,5 100.215,6 6.97,7 0.222,8 3.979,9 4.092,10 3.459,11 3.537,12 5.11,13 3.493,14 4.526,15 4.709,16 3.799,17 3.923,18 5.648,19 3.849,20 4.801,21 4.995,22 3.95,23 4.11,24 5.882,25 4.028,26 4.971,27 5.173,28 3.952,29 4.182,30 6.086,31 4.082,32 5.04,33 5.261,34 3.939,35 4.204,36 6.186,37 4.089,38 5.02,39 5.255,40 3.891,41 4.184,42 6.064,43 4.053,44 5.022,45 5.284,46 3.748,47 4.102,48 6.026,49 3.95,50 4.864,51 5.132,52 3.529,53 3.913,54 5.845,55 3.752,56 0.02,57 0.662,58 10.823,59 5.219,60 11.942,61 6.72,62 0.175,63 1.072,64 20.033,65 8.625,66 46.148,67 11.659,68 0.175,69 1.347,70 27.049,71 11.097,72 53.841,73 14.86,74 0.36,75 1.526,76 33.091,77 12.508,78 94.722,79 16.677,80 0.536,81 1.61,82 36.127,83 13.18,84 132.806,85 17.924,86 0.377,87 1.612,88 35.053,89 13.061,90 90.646,91 18.223,92 0.455,93 1.569,94 36,95 12.624,96 101.669,97 17.993,98 0.328,99 1.323,100 30.763,101 10.767,102 76.935,103 15.396,104 56,105 37,106 0.242,107 0.542,108 0.715,109 0.79,110 0.826,111 0.86,112 3.304,113 0.993,114 -3.78,115 -3.74,116 -3.56,118 41.2,119 3,120 5,121 1,134 4,140 2,141 1,143 2,152 2,154 1,163 1,167 1,168 14,169 1,172 7,175 1,177 1,180 15,181 1,186 11,191 1,194 18,195 1,198 9,203 1,206 19,207 1,209 1,210 7,215 1,218 17,219 1,221 1,222 8,227 1,229 15,230 1,233 1,234 7,239 1,242 11,243 2,247 6,252 2,255 7,256 2,259 3,260 2,264 2,267 3,268 3,270 1188,271 16.916,272 16.916,273 16.916,274 16.916,275 16.916,276 15.173,277 12.845,278 10.067,279 16.938,280 13.223,281 13.223,282 13.223,283 13.223,284 13.223,285 10.587,286 14.189,287 4.738,288 13.209,289 4.242,290 2.47,291 1.452,292 1.006,293 0.795,294 0.593,295 3.961,298 1,299 1,300 1,301 505,302 3.808,306 192.51,313 1.29,314 38.031,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 56.5,326 250,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 2.341,334 11.949,335 3.381,336 4.117,337 3.596,338 6.35,339 3.822,340 2.818,341 3.57,342 0.68,343 9.419,344 2.828,345 3.74,346 3.426,347 5.791,348 3.344,349 2.303,350 3.125,352 7.292,353 2.393,354 3.618,355 3.158,356 5.65,357 3.24,358 2.239,359 2.806,361 7.085,362 2.23,363 3.55,364 2.473,365 4.659,366 3.236,367 2.234,368 2.71,370 5.184,371 2.222,372 3.067,373 2.135,374 4.494,375 2.771,376 1.778,377 2.218,379 4.28,380 1.763,381 2.708,382 1.847,383 3.721,384 2.504,385 1.518,386 1.721,388 3.168,389 1.492,390 2.5,391 1.663,392 3.618,393 2.091,394 1.099,395 1.5,397 2.562,398 1.087,399 2.429,400 1.259,401 3.603,402 1.956,403 1,404 1.312,406 2.136,407 0.953,408 2.253,409 1.183,410 3.328,411 1.718,412 0.677,413 0.921,415 1.542,416 0.688,417 1.745,418 1.058,419 3.247,420 1.664,421 0.618,422 0.693,424 1.464,425 0.651,426 1.486,427 1,428 2.822,429 1.32,430 0.292,431 0.328,433 0.668,434 0.299,435 1.132,436 0.594,437 2.286,438 0.906,439 -0.134,440 -0.149,442 -0.293,443 -0.137,444 0.848,445 0.294,446 2.192,447 0.58,448 -0.434,449 -0.516,451 -1.008,452 -0.435,453 0.543,454 -0.081,455 2,456 0.154,457 -0.837,458 -0.982,460 -1.871,461 -0.808,462 12.233,463 0.471,464 0.745,465 0.029,466 28.5,467 1.096,468 13.5,469 0.519,470 15,471 0.577,472 26.807,473 1.031,474 29.167,475 0.572,476 22.252,477 0.856,478 5.419,479 0.208,480 6.922,481 0.266,482 0.232,484 0.368,487 0.633,488 1.195,489 0.856,490 1.132,491 0.605,492 1.049,493 0.465,494 1.042,495 0.78,496 1.027,497 0.449,498 0.966,499 0.802,500 1.08,501 0.905,502 1.078,503 0.817,504 1.021,505 1.15,506 1.087,507 1.128,508 1.101,509 1.205,510 1.111,511 1.069,512 1.007,513 1.095,514 1.009,515 1.107,516 1.052,517 0.824,518 1.092,519 1.024,520 1.076,521 0.841,522 1.085,523 0.86,524 0.977,525 1.016,526 0.977,527 0.866,528 1.014,529 0.858,530 1.021,531 1.026,532 1.033,533 0.848,534 1.05,535 4.5,536 0.149,537 3.333,538 2.313,539 1.898,540 1.028,541 0.692,542 0.455,543 0.316,544 0.247,545 6563,546 20045,547 1.91,548 49,549 18,550 2,552 2,553 1,554 2,558 1.698,559 1.733,560 3.17,561 -0.37,563 1,567 72.959,568 1.431,569 3.203,570 4.221,571 4.667,572 4.878,573 5.079,574 2.609,575 4.085,576 4.664,577 3.392,578 1102.46,579 8.128,580 13703.5,582 1,584 1,585 289.294,586 1.57,587 4.592,588 0.167,589 0.009,590 0.09,591 0.055,592 0.047,593 0.026,594 0.019,595 0.015,596 0.013,597 0.012,598 0.453,599 0.33,600 1,601 1.775,602 125.848,603 -0.035,604 -0.006,605 0.006,606 0.03,607 -0.034,608 0.024,609 0.14,610 0.054,611 0.117,612 0.055,613 0.139,614 0.08,615 -0.029,616 -0.035,617 0.022,618 -0.023,619 -0.022,620 0.004,621 -0.143,622 -0.075,623 -0.161,624 -0.086,625 -0.137,626 -0.121,627 -0.071,628 -0.019,629 -0.119,630 -0.016,631 -0.057,632 -0.068,633 -0.028,634 -0.093,635 -0.073,636 -0.081,637 -0.043,638 -0.087,639 -0.038,640 -0.006,641 -0.047,642 -0.019,643 -0.058,644 -0.033,645 -0.053,646 -0.063,647 -0.058,648 -0.079,649 -0.062,650 -0.069,651 2.461,652 5.919,653 0.462,654 23.207,655 1,656 1.124,657 2.55,658 6.503,659 0.646,660 3.332,661 3.638,662 3.892,663 4.094,664 4.29,665 4.304,666 4.29,667 4.29,668 4.263,669 4.111,670 5.884,671 0.612,672 355.47,673 3.332,674 4.86,675 5.7,676 6.572,677 7.442,678 8.328,679 9.213,680 10.107,681 11.001,682 11.9,683 2,693 1,699 4,700 1,704 1,706 6,724 51,726 11,728 27,730 52,731 21,733 5,736 6,739 2,740 2,745 3,751 5,753 12,754 9,755 1,756 5,761 3,765 7,769 1,772 25,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,814 2,818 1,823 4,830 1,832 2,836 3,840 26,845 1,846 5,850 1,862 7.8,864 1,865 3,869 15,870 10.067,871 5.889,872 3.281,874 1.623,875 1.247,876 0.906,877 6.768,878 8.199,879 3.584,880 4.103,881 4.593,882 5.011,883 5.443,884 5.539,885 5.71,886 5.924,887 6.139,888 6.19,889 1,890 42,891 9.707,893 4.098,894 8.045,895 18.215,897 14.698,899 2.545,900 66.167,902 1,903 1,904 282.506,905 103.3,906 16.786,908 118.118,911 103.3,912 400.625,913 16.786,914 26.476,915 12.673,916 18.952,917 169.623,918 34.023,920 258.964,922 282.506,923 120.086,924 118.118,927 282.506,928 118.118,931 57.243,932 46.057,933 16.786,935 282.506,936 134.904,937 103.3,940 282.506,941 39.777,942 63.523,944 134.904,945 282.506,946 134.904,947 103.3,949 0.578,950 0.339,951 0.173,952 0.094,953 15,954 9,955 0.154,956 8,958 1,959 3.564,960 209.609,962 12,963 122.211,968 19.942,969 8.824,970 4.633,972 134.904,973 7.164,974 4.163,978 0.911,980 42.683,981 520.71,982 35,987 36.099,991 1.16,994 51.014,995 57.318,996 0.252,997 0.565,998 0.744,999 0.823,1000 0.86,1001 0.895,1002 4.824,1003 1.099,1004 5.7,1005 3.168,1006 4.317,1007 4.787,1008 2.35,1009 6.538,1010 4.327,1011 6.031,1012 1,1013 7.291,1014 2.562,1015 4.007,1016 4.649,1017 2.243,1018 7.561,1019 4.046,1020 7.348,1021 0.677,1022 8.993,1023 2.136,1024 5.927,1025 6.897,1026 3.64,1027 10.722,1028 5.957,1029 8.703,1030 0.618,1031 10.76,1032 1.542,1033 6.447,1034 7.563,1035 4.112,1036 12.579,1037 6.513,1038 10.093,1039 0.292,1040 12.569,1041 1.464,1042 7.873,1043 9.324,1044 5.203,1045 15.302,1046 7.931,1047 11.509,1048 -0.134,1049 14.405,1050 0.668,1051 8.764,1052 10.355,1053 5.889,1054 17.499,1055 8.853,1056 12.946,1057 -0.434,1058 16.263,1059 -0.293,1060 10.021,1061 11.927,1062 6.849,1063 20.07,1064 10.111,1065 3.334,1066 -0.837,1067 18.135,1068 -1.008,1069 11.08,1070 13.145,1071 7.625,1072 22.419,1073 11.195,1074 2.818,1075 11.949,1076 20.019,1077 -1.871,1078 12.283,1079 14.634,1080 8.526,1081 24.931,1082 12.405,1083 2.303,1084 9.419,1085 21.913,1086 4.196,1087 13.417,1088 15.949,1089 9.342,1090 27.349,1091 13.558,1092 2.239,1093 7.292,1094 23.814,1095 3.57,1096 14.607,1097 17.402,1098 10.216,1099 29.839,1100 14.76,1101 2.234,1102 7.085,1103 25.722,1104 3.125,1105 15.774,1106 18.77,1107 11.051,1108 32.289,1109 15.944,1110 1.778,1111 5.184,1112 27.636,1113 2.806,1114 16.963,1115 20.207,1116 11.912,1117 34.771,1118 17.147,1119 1.518,1120 4.28,1121 29.555,1122 2.71,1123 18.146,1124 21.603,1125 12.755,1126 37.236,1127 18.346,1128 6821,1129 11982,1130 16.819,1131 32.961,1132 40.671,1133 42.842,1134 42.885,1135 39.85,1136 39.817,1137 50.2,1138 6.042,1139 113.499,1140 39.972,1141 5.627,1142 5.873,1143 6.85,1144 5.384,1145 5.334,1146 7.196,1147 3.925,1148 19.949,1149 5.381,1150 17.055,1151 1.506,1152 1.587,1153 1.588,1154 1.476,1155 1.475,1156 1.859,1157 0.224,1158 4.204,1159 1.48,1160 4.027,1161 4.048,1162 3.98,1163 3.952,1164 7.474,1165 3.955,1166 3.831,1167 3.862,1168 3.772,1169 3.735,1170 7.436,1171 3.739,1172 3.733,1173 3.785,1174 3.604,1175 3.595,1176 7.418,1177 3.586,1178 3.505,1179 3.551,1180 3.387,1181 3.361,1182 6.351,1183 3.356,1184 3.368,1185 3.428,1186 3.223,1187 3.213,1188 4.896,1189 3.207,1190 3.202,1191 3.247,1192 3.105,1193 2.994,1194 4.383,1195 3.005,1196 3.092,1197 3.169,1198 2.915,1199 2.879,1200 4.152,1201 2.87,1202 2.913,1203 2.979,1204 2.668,1205 2.653,1206 4.033,1207 2.654,1208 0.173,1209 0.143,1210 0.261,1211 0.161,1212 0.123,1213 4.678,1214 0.155,1215 3.873,1216 0.087,1217 7.048,1218 0.443,1219 4.349,1220 0.125,1221 3.334,1222 4.196,1223 2.341,1224 11.949,1225 3.381,1226 1.979,1227 1.96,1228 2.091,1229 2.074,1230 1.415,1231 2.078,1232 1.81,1233 1.78,1234 1.971,1235 1.935,1236 1.232,1237 1.943,1238 1.727,1239 1.674,1240 1.918,1241 1.894,1242 1.062,1243 1.908,1244 1.486,1245 1.437,1246 1.727,1247 1.676,1248 0.891,1249 1.689,1250 1.369,1251 1.31,1252 1.662,1253 1.571,1254 0.796,1255 1.604,1256 1.163,1257 1.103,1258 1.538,1259 1.414,1260 0.605,1261 1.453,1262 1.087,1263 1.008,1264 1.397,1265 1.351,1266 0.579,1267 1.368,1268 0.861,1269 0.794,1270 1.189,1271 1.174,1272 0.322,1273 1.18,1274 4.007,1276 5.313,1278 6.823,1280 8.44,1282 10.121,1284 5.12,1289 8.754,1290 2.997,1294 -0.201,1300 31.202,1301 72.959,1302 163.345,1303 215.255,1304 238.009,1305 248.764,1306 259.029,1307 89.174,1308 6.575,1309 84.33,1310 84.33,1311 12,1312 12.424,1313 3.585,1314 3.17,1315 54.571,1316 84,1317 114,1318 0.302,1319 196.783,1320 361.28,1321 471.91,1322 4769,1324 19.267,1325 0.741,1326 0.598,1327 19.267,1328 15.541,1329 12.341,1330 0.457,1331 0.331,1332 8.861,1333 11.99,1334 8.518,1335 7.136,1336 12.341,1337 8.936,1338 10.967,1339 0.296,1340 0.183,1341 10.967,1342 6.779,1343 9.1,1344 0.19,1345 0.105,1346 9.1,1347 5.052,1348 6.81,1349 0.115,1350 0.058,1351 6.81,1352 3.397,1353 5.193,1354 0.072,1355 0.032,1356 5.193,1357 2.321,1358 0.462,1359 76.856,1360 0.244,1361 24.812,1362 0.868,1363 128,1364 401.001,1365 138.023,1366 384.547,1367 500.33,1368 354,1369 149,1370 342.052,1371 157.808,1372 348.608,1373 503.06,1374 326,1375 7.201} {0 CHEMBL420994,1 1.446,2 9.615,3 3.511,4 12.327,5 101.065,6 7.213,7 0.222,8 3.943,9 4.051,10 3.454,11 3.515,12 5.115,13 3.477,14 4.463,15 4.639,16 3.79,17 3.881,18 5.641,19 3.819,20 4.705,21 4.884,22 3.936,23 4.049,24 5.869,25 3.985,26 4.845,27 5.027,28 3.931,29 4.101,30 6.05,31 4.022,32 4.894,33 5.093,34 3.916,35 4.119,36 6.123,37 4.026,38 4.896,39 5.108,40 3.877,41 4.118,42 6.021,43 4.007,44 4.937,45 5.185,46 3.738,47 4.061,48 5.978,49 3.92,50 4.816,51 5.079,52 3.522,53 3.895,54 5.795,55 3.736,56 0.028,57 0.627,58 9.887,59 4.91,60 12.275,61 6.184,62 0.184,63 1.005,64 18.273,65 8.005,66 47.243,67 10.638,68 0.185,69 1.231,70 23.893,71 10.02,72 51.37,73 13.042,74 0.341,75 1.361,76 28.393,77 11.105,78 85.997,79 14.244,80 0.482,81 1.424,82 30.402,83 11.576,84 119.174,85 15.163,86 0.344,87 1.466,88 30.142,89 11.668,90 79.355,91 15.764,92 0.416,93 1.491,94 32.651,95 11.872,96 90.523,97 16.572,98 0.305,99 1.303,100 29.181,101 10.576,102 72.361,103 14.931,104 56,105 37,106 0.246,107 0.582,108 0.749,109 0.807,110 0.856,111 0.877,112 3.304,113 0.961,114 -3.7,115 -3.67,116 -3.49,118 42.9,119 3,120 4,133 1,134 5,140 2,141 1,143 2,152 2,154 1,163 1,167 1,168 14,169 1,172 7,175 1,177 1,180 15,181 1,186 11,191 1,194 18,195 1,198 9,203 1,206 19,207 1,209 1,210 7,215 1,218 17,219 1,221 1,222 8,227 1,229 15,230 1,233 1,234 7,239 1,242 11,243 2,247 6,252 2,255 7,256 2,259 3,260 2,264 2,267 3,268 3,270 1188,271 16.916,272 16.916,273 16.916,274 16.916,275 16.916,276 14.966,277 9.993,278 10.067,279 16.938,280 13.223,281 13.223,282 13.223,283 13.223,284 13.223,285 10.268,286 5.036,287 4.738,288 13.209,289 4.169,290 2.191,291 1.21,292 0.868,293 0.577,294 0.454,295 3.961,298 1,299 1,300 1,301 505,302 3.808,306 192.51,313 1.29,314 37.751,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 56.5,326 250,327 4.706,328 3.827,329 7.048,330 4.349,331 3.334,332 4.26,333 2.341,334 11.949,335 3.381,336 4.207,337 3.596,338 6.35,339 3.822,340 2.818,341 3.713,343 9.419,344 2.828,345 3.74,346 3.397,347 5.791,348 3.344,349 2.303,350 3.141,352 7.292,353 2.393,354 3.621,355 2.92,356 5.65,357 3.24,358 2.239,359 2.822,361 7.085,362 2.23,363 3.55,364 2.436,365 4.659,366 3.236,367 2.234,368 2.71,370 5.184,371 2.222,372 3.233,373 2.11,374 4.494,375 2.771,376 1.778,377 2.424,379 4.28,380 1.763,381 2.757,382 1.975,383 3.721,384 2.504,385 1.518,386 1.803,388 3.168,389 1.492,390 2.5,391 1.63,392 3.618,393 2.091,394 1.099,395 1.5,397 2.562,398 1.087,399 2.484,400 1.307,401 3.603,402 1.956,403 1,404 1.414,406 2.136,407 0.953,408 2.336,409 1.186,410 3.328,411 1.718,412 0.677,413 0.929,415 1.542,416 0.688,417 1.745,418 1.034,419 3.247,420 1.664,421 0.618,422 0.693,424 1.464,425 0.651,426 1.501,427 1,428 2.822,429 1.32,430 0.292,431 0.338,433 0.668,434 0.299,435 1.225,436 0.625,437 2.286,438 0.906,439 -0.134,440 -0.154,442 -0.293,443 -0.137,444 0.857,445 0.272,446 2.192,447 0.58,448 -0.434,449 -0.521,451 -1.008,452 -0.435,453 0.599,454 -0.043,455 2,456 0.154,457 -0.837,458 -1.047,460 -1.871,461 -0.808,462 12.233,463 0.471,464 0.745,465 0.029,466 30,467 1.154,468 15,469 0.577,470 15,471 0.577,472 24.796,473 0.954,474 28.567,475 0.583,476 24.263,477 0.933,478 5.962,479 0.229,480 6.38,481 0.245,482 0.232,484 0.368,487 0.635,488 1.149,489 0.824,490 1.084,491 0.614,492 1.005,493 0.475,494 0.988,495 0.738,496 0.968,497 0.467,498 0.907,499 0.855,500 1.041,501 0.882,502 1.033,503 0.869,504 0.975,505 1.197,506 1.07,507 1.113,508 1.079,509 1.255,510 1.084,511 1.085,512 1.026,513 1.099,514 1.022,515 1.129,516 1.06,517 0.859,518 1.144,519 1.072,520 1.125,521 0.865,522 1.136,523 0.817,524 1.025,525 1.043,526 1.029,527 0.823,528 1.066,529 0.767,530 1.055,531 1.026,532 1.074,533 0.764,534 1.088,535 4.5,536 0.149,537 3.333,538 2.313,539 1.898,540 1.028,541 0.692,542 0.455,543 0.316,544 0.247,545 6563,546 20678,547 1.91,548 46.9,549 15,550 3,552 2,553 1,554 2,558 1.698,559 1.733,560 3.17,561 -0.37,563 1,567 70.84,568 1.446,569 3.424,570 4.405,571 4.747,572 5.038,573 5.16,574 2.609,575 4.085,576 4.664,577 3.392,578 1102.46,579 8.128,580 13703.5,582 1,584 1,585 275.121,586 1.57,587 4.592,588 0.167,589 0.009,590 0.09,591 0.055,592 0.047,593 0.026,594 0.019,595 0.015,596 0.013,597 0.012,598 0.453,599 0.33,600 1,601 1.775,602 125.848,603 -0.037,604 -0.004,605 0.004,606 0.031,607 -0.048,608 0.025,609 0.144,610 0.085,611 0.147,612 0.089,613 0.134,614 0.116,615 -0.043,616 -0.008,617 0.036,618 0.006,619 -0.035,620 0.031,621 -0.157,622 -0.066,623 -0.156,624 -0.068,625 -0.149,626 -0.106,627 -0.074,628 -0.031,629 -0.134,630 -0.023,631 -0.063,632 -0.081,633 -0.045,634 -0.131,635 -0.131,636 -0.128,637 -0.052,638 -0.145,639 -0.032,640 -0.04,641 -0.078,642 -0.062,643 -0.047,644 -0.076,645 -0.031,646 -0.091,647 -0.059,648 -0.111,649 -0.041,650 -0.091,651 2.482,652 5.878,653 0.462,654 23.207,655 1.003,656 1.12,657 2.475,658 6.123,659 0.657,660 3.332,661 3.638,662 3.892,663 4.094,664 4.29,665 4.304,666 4.29,667 4.29,668 4.263,669 4.111,670 5.884,671 0.626,672 353.45,673 3.332,674 4.86,675 5.7,676 6.572,677 7.442,678 8.328,679 9.213,680 10.107,681 11.001,682 11.9,683 2,693 1,699 4,700 1,704 1,706 6,724 49,726 12,728 27,730 50,731 21,733 5,736 8,739 2,740 2,745 3,751 4,753 14,754 7,756 6,761 3,763 1,765 8,768 1,769 1,772 23,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,814 2,818 1,822 1,823 5,830 1,832 2,836 3,840 26,845 1,846 4,862 8.2,864 1,865 3,869 15,870 9.817,871 5.889,872 3.072,874 1.836,875 1.279,876 0.916,877 6.544,878 8.411,879 3.611,880 4.151,881 4.68,882 5.139,883 5.589,884 5.739,885 5.965,886 6.158,887 6.342,888 6.393,889 1,890 42,891 9.678,893 4.067,894 8.077,895 18.014,897 14.307,899 2.577,900 67,902 1,903 1,904 258.964,905 113.428,906 16.786,908 118.118,911 113.428,912 377.082,913 16.786,914 26.476,915 10.138,916 28.429,917 169.623,918 37.208,920 235.422,922 258.964,923 130.213,924 118.118,927 258.964,928 118.118,931 54.709,932 49.243,933 26.262,935 258.964,936 134.904,937 113.428,940 258.964,941 40.428,942 72.999,944 134.904,945 258.964,946 134.904,947 113.428,949 0.578,950 0.339,951 0.173,952 0.094,953 15,954 9,955 0.14,956 7,958 1,959 3.564,960 209.609,962 12,963 120.211,968 19.685,969 8.644,970 4.516,972 134.904,973 6.96,974 4.122,978 0.772,980 42.683,981 507.295,982 36,987 36.016,989 1.914,991 1.445,994 49.131,995 54.903,996 0.257,997 0.61,998 0.785,999 0.845,1000 0.897,1001 0.919,1002 4.848,1003 1.099,1004 5.7,1005 3.168,1006 4.317,1007 4.836,1008 2.258,1009 6.538,1010 4.327,1011 6.069,1012 1,1013 7.291,1014 2.562,1015 4.007,1016 4.705,1017 2.243,1018 7.561,1019 4.046,1020 7.393,1021 0.677,1022 8.993,1023 2.136,1024 5.927,1025 6.984,1026 3.628,1027 10.722,1028 5.957,1029 8.756,1030 0.618,1031 10.76,1032 1.542,1033 6.447,1034 7.663,1035 4.112,1036 12.579,1037 6.513,1038 10.153,1039 0.292,1040 12.569,1041 1.464,1042 7.873,1043 9.444,1044 5.201,1045 15.302,1046 7.931,1047 11.576,1048 -0.134,1049 14.405,1050 0.668,1051 8.764,1052 10.496,1053 5.889,1054 17.499,1055 8.853,1056 13.02,1057 -0.434,1058 16.263,1059 -0.293,1060 10.021,1061 12.08,1062 6.849,1063 20.07,1064 10.111,1065 3.334,1066 -0.837,1067 18.135,1068 -1.008,1069 11.08,1070 13.321,1071 7.625,1072 22.419,1073 11.195,1074 2.818,1075 11.949,1076 20.019,1077 -1.871,1078 12.283,1079 14.819,1080 8.526,1081 24.931,1082 12.405,1083 2.303,1084 9.419,1085 21.913,1086 4.26,1087 13.417,1088 16.156,1089 9.342,1090 27.349,1091 13.558,1092 2.239,1093 7.292,1094 23.814,1095 3.713,1096 14.607,1097 17.618,1098 10.216,1099 29.839,1100 14.76,1101 2.234,1102 7.085,1103 25.722,1104 3.141,1105 15.774,1106 19.005,1107 11.051,1108 32.289,1109 15.944,1110 1.778,1111 5.184,1112 27.636,1113 2.822,1114 16.963,1115 20.452,1116 11.912,1117 34.771,1118 17.147,1119 1.518,1120 4.28,1121 29.555,1122 2.71,1123 18.146,1124 21.864,1125 12.755,1126 37.236,1127 18.346,1128 6821,1129 12176,1130 16.819,1131 32.199,1132 40.763,1133 43.047,1134 42.885,1135 39.85,1136 39.817,1137 51.499,1138 4.682,1139 113.499,1140 39.972,1141 5.582,1142 5.827,1143 6.85,1144 5.384,1145 5.334,1146 7.26,1147 3.925,1148 19.949,1149 5.381,1150 17.055,1151 1.51,1152 1.594,1153 1.588,1154 1.476,1155 1.475,1156 1.907,1157 0.173,1158 4.204,1159 1.48,1160 4.024,1161 4.041,1162 3.987,1163 3.957,1164 7.474,1165 3.961,1166 3.831,1167 3.861,1168 3.774,1169 3.737,1170 7.436,1171 3.741,1172 3.726,1173 3.775,1174 3.601,1175 3.588,1176 7.418,1177 3.58,1178 3.493,1179 3.533,1180 3.396,1181 3.363,1182 6.351,1183 3.361,1184 3.358,1185 3.416,1186 3.212,1187 3.2,1188 4.909,1189 3.194,1190 3.192,1191 3.238,1192 3.1,1193 2.982,1194 4.432,1195 2.996,1196 3.076,1197 3.147,1198 2.913,1199 2.873,1200 4.24,1201 2.866,1202 2.896,1203 2.956,1204 2.647,1205 2.635,1206 4.028,1207 2.628,1208 0.174,1209 0.142,1210 0.261,1211 0.161,1212 0.123,1213 4.706,1214 0.158,1215 3.827,1216 0.087,1217 7.048,1218 0.443,1219 4.349,1220 0.125,1221 3.334,1222 4.26,1223 2.341,1224 11.949,1225 3.381,1226 1.975,1227 1.961,1228 2.068,1229 2.062,1230 1.328,1231 2.062,1232 1.809,1233 1.78,1234 1.963,1235 1.931,1236 1.189,1237 1.938,1238 1.718,1239 1.666,1240 1.912,1241 1.886,1242 1.008,1243 1.901,1244 1.474,1245 1.429,1246 1.708,1247 1.648,1248 0.839,1249 1.661,1250 1.352,1251 1.296,1252 1.63,1253 1.562,1254 0.788,1255 1.589,1256 1.155,1257 1.093,1258 1.538,1259 1.408,1260 0.596,1261 1.451,1262 1.065,1263 0.995,1264 1.343,1265 1.314,1266 0.471,1267 1.323,1268 0.839,1269 0.773,1270 1.15,1271 1.152,1272 0.244,1273 1.153,1274 4.007,1276 5.313,1278 6.823,1280 8.44,1282 10.121,1284 5.033,1289 8.738,1290 2.001,1300 30.675,1301 70.84,1302 167.76,1303 215.837,1304 232.591,1305 246.856,1306 252.856,1307 84.958,1308 6.575,1309 84.33,1310 84.33,1311 12,1312 12.424,1313 3.7,1314 3.322,1315 54.571,1316 84,1317 114,1318 0.302,1319 193.856,1320 358.64,1321 464.767,1322 4769,1324 19.267,1325 0.741,1326 0.59,1327 19.267,1328 15.334,1329 12.341,1330 0.457,1331 0.32,1332 8.573,1333 11.99,1334 8.229,1335 6.906,1336 12.341,1337 8.647,1338 10.967,1339 0.296,1340 0.173,1341 10.967,1342 6.407,1343 9.1,1344 0.19,1345 0.096,1346 9.1,1347 4.621,1348 6.81,1349 0.115,1350 0.05,1351 6.81,1352 2.971,1353 5.193,1354 0.072,1355 0.027,1356 5.193,1357 1.958,1358 0.462,1359 76.856,1360 0.244,1361 24.812,1362 0.868,1363 128,1364 413.001,1365 138.023,1366 397.267,1367 519.56,1368 366,1369 149,1370 358.052,1371 157.808,1372 365.505,1373 528.47,1374 342,1375 6.745} {0 CHEMBL421,1 1.869,2 12.571,3 3.885,4 15.093,5 105.599,6 9.486,7 0.6,8 3.877,9 3.948,10 3.769,11 3.46,12 5.19,13 3.458,14 4.31,15 4.398,16 4.044,17 3.791,18 5.919,19 3.783,20 4.558,21 4.702,22 4.103,23 3.863,24 5.963,25 3.847,26 4.579,27 4.731,28 4.019,29 3.727,30 6.19,31 3.725,32 4.44,33 4.603,34 3.842,35 3.622,36 5.933,37 3.62,38 4.282,39 4.436,40 3.697,41 3.593,42 5.761,43 3.562,44 4.24,45 4.424,46 3.541,47 3.585,48 5.5,49 3.511,50 4.186,51 4.378,52 3.535,53 3.48,54 5.428,55 3.404,56 0.227,57 0.648,58 7.436,59 3.871,60 36.933,61 3.267,62 0.492,63 0.961,64 9.746,65 5.847,66 76.015,67 5.603,68 0.578,69 1.19,70 18.09,71 7.495,72 79.248,73 6.992,74 0.927,75 1.136,76 21.346,77 7.334,78 134.126,79 6.311,80 0.773,81 0.957,82 19.736,83 6.558,84 116.849,85 6.129,86 0.589,87 0.859,88 13.388,89 5.463,90 78.204,91 5.815,92 0.422,93 0.83,94 11.782,95 5.674,96 52.605,97 6.714,98 0.344,99 0.759,100 12.77,101 5.966,102 44.027,103 7.123,104 27,105 42,106 0.32,107 0.593,108 0.729,109 0.864,110 0.884,111 0.884,112 3.374,113 0.935,114 -3.2,115 -3.19,116 -3.06,118 42.9,140 10,141 1,142 4,143 1,145 1,154 1,162 1,163 1,167 1,168 6,169 1,171 1,172 7,175 4,177 4,180 5,181 1,186 14,191 6,192 1,194 4,195 1,197 2,198 11,199 1,201 1,202 1,203 4,207 1,209 1,210 5,211 1,213 2,215 1,218 6,221 3,222 4,225 3,229 12,233 2,237 1,242 8,243 2,246 1,247 3,252 4,255 2,256 2,258 1,259 8,264 6,270 1216,271 18.386,272 18.386,273 18.386,274 18.386,275 18.386,276 15.622,277 17.914,278 10.819,279 18.741,280 14.79,281 14.79,282 14.79,283 14.79,284 14.79,285 10.614,286 12.225,287 5.137,288 15.39,289 3.523,290 1.935,291 1.142,292 0.351,293 0.238,294 0.238,295 4.052,299 1,300 1,301 742,302 3.873,306 321.367,313 2.173,314 47.818,317 1,318 0.83,319 1,320 0.4,322 0.83,323 1,324 0.72,325 63,326 352,327 4.856,328 4.686,329 7.308,330 4.31,331 3.392,332 4.707,333 1.437,334 12.508,335 3.086,336 4.353,337 3.613,338 6.366,339 3.961,340 2.976,341 4.007,343 9.56,344 2.924,345 3.966,346 2.805,347 5.45,348 3.521,349 2.551,350 3.526,352 7.203,353 2.475,354 3.841,355 2.64,356 5.349,357 3.365,358 2.417,359 3.391,361 6.886,362 2.284,363 3.647,364 2.569,365 5.201,366 3.225,367 2.247,368 3.02,370 6.509,371 2.189,372 3.271,373 2.319,374 4.711,375 2.825,376 1.855,377 2.484,379 4.818,380 1.777,381 3.134,382 1.745,383 4.693,384 2.643,385 1.661,386 2.358,388 4.739,389 1.626,390 2.872,391 1.447,392 3.616,393 2.379,394 1.4,395 2.025,397 3.027,398 1.369,399 2.532,400 1.346,401 3.608,402 2.005,403 1,404 1.5,406 2.427,407 1,408 2.5,409 1,410 3.414,411 2,412 1,413 1.5,415 2.275,416 0.994,417 2.5,418 1,419 3.301,420 1.958,421 1,422 1.475,424 2.136,425 0.956,426 2.417,427 0.888,428 3.247,429 1.714,430 0.735,431 1.154,433 1.744,434 0.717,435 1.305,436 0.517,437 3.063,438 0.936,444 1.195,445 0.397,446 2.658,447 0.827,448 -0.126,449 -0.159,451 -0.331,452 -0.119,453 1,454 0.146,455 2.405,456 0.502,457 -0.456,458 -0.605,460 -1.085,461 -0.428,462 13.1,463 0.468,464 0.824,465 0.029,466 43.5,467 1.554,468 26,469 0.929,470 17.5,471 0.625,472 16.39,473 0.585,474 29.5,475 0.702,476 34.315,477 1.226,478 8.702,479 0.311,480 4.646,481 0.166,482 0.127,483 0.064,484 0.267,487 0.712,488 1.114,489 0.79,490 1.114,491 0.804,492 0.803,493 0.531,494 1.212,495 0.844,496 1.087,497 0.526,498 1.016,499 1.045,500 1.31,501 1.104,502 1.184,503 0.931,504 1.062,505 1.268,506 1.104,507 1.295,508 1.071,509 1.175,510 1.018,511 1.305,512 0.866,513 1.107,514 0.86,515 1.364,516 0.835,517 0.763,518 0.784,519 0.941,520 0.86,521 0.888,522 1.006,523 0.511,524 0.825,525 0.799,526 0.883,527 0.544,528 1.124,529 0.547,530 1.017,531 0.729,532 1.055,533 0.522,534 1.114,535 7,536 0.169,537 3.556,538 1.875,539 1.627,540 0.986,541 0.323,542 0.41,543 0.348,544 0.146,545 10584,546 40437,547 2.005,548 33.3,550 10,552 1,553 3,558 1.704,559 1.856,560 3.592,561 1.023,563 1,567 78.506,568 1.869,569 3.457,570 4.25,571 5.041,572 5.154,573 5.154,574 3.111,575 4.182,576 4.78,577 3.818,578 1443.15,579 8.275,580 20092.4,582 1,584 1,585 226.477,586 1.598,587 4.719,588 0.233,589 0.009,590 0.085,591 0.045,592 0.044,593 0.03,594 0.011,595 0.016,596 0.015,597 0.007,598 0.494,599 0.33,600 0.88,601 0.787,602 143.825,603 -0.028,604 0.014,605 0.151,606 -0.007,607 -0.189,608 0.067,609 0.228,610 -0.129,611 -0.026,612 -0.106,613 0.22,614 -0.156,615 -0.186,616 -0.26,617 -0.08,618 -0.159,619 -0.094,620 -0.115,621 -0.121,622 -0.065,623 -0.183,624 -0.056,625 -0.02,626 -0.093,627 -0.185,628 0.103,629 -0.055,630 0.13,631 -0.175,632 0.144,633 0.095,634 0.211,635 -0.104,636 0.042,637 -0.018,638 -0.05,639 0.109,640 0.129,641 -0.02,642 -0.004,643 0.023,644 -0.085,645 0.121,646 -0.12,647 0.208,648 -0.081,649 0.103,650 0.002,651 4.712,652 5.341,653 0.643,654 29.245,655 1.037,656 1.12,657 1.969,658 3.875,659 0.708,660 3.434,661 3.761,662 3.951,663 4.127,664 4.304,665 4.263,666 4.29,667 4.331,668 4.394,669 4.419,670 7.566,671 0.702,672 398.43,673 3.434,674 4.977,675 5.802,676 6.671,677 7.513,678 8.382,679 9.23,680 10.1,681 10.951,682 11.822,683 9.5,688 1,693 1,696 2,699 11,700 1,704 6,706 18,714 1,721 1,724 42,726 22,727 2,728 30,730 44,731 18,733 17,734 5,735 7,736 1,739 3,740 3,753 18,756 4,760 1,761 3,764 2,765 1,769 1,772 14,773 9,774 3,775 10,776 1,779 4,783 1,784 1,785 5,795 1,802 3,830 1,832 3,834 1,840 28,844 1,845 2,847 1,862 11.9,864 2,865 3,869 15.083,870 7.333,871 6.097,872 2.141,874 3.815,875 1.533,876 0.947,877 5.687,878 10.975,879 3.784,880 4.413,881 4.914,882 5.429,883 5.948,884 6.123,885 6.466,886 6.714,887 7.127,888 7.495,889 1,890 42,891 10.562,893 4.832,894 8.324,895 18.56,897 14.887,899 2.824,900 79.083,903 1,904 129.482,905 123.105,906 66.517,908 154.825,910 5.807,911 117.297,912 284.307,913 66.517,916 100.57,917 200.696,918 19.297,919 35.654,920 117.711,922 129.482,923 183.814,924 154.825,925 5.807,927 129.482,928 154.825,931 9.047,932 108.25,933 72.324,935 129.482,936 221.341,937 123.105,939 5.807,940 129.482,941 13.488,942 103.81,943 16.405,944 204.936,945 129.482,946 221.341,947 123.105,949 0.588,950 0.33,951 0.165,952 0.088,953 19,954 9,955 0.136,956 6,958 1,959 4,960 227.689,962 18,963 128.606,967 1,968 19.488,969 8.172,970 4.927,972 221.341,973 15.749,974 3.912,978 0.146,980 101.772,981 473.928,982 43,986 -3.795,987 35.693,990 7.832,991 -1.287,994 43.538,995 47.036,996 0.347,997 0.641,998 0.788,999 0.935,1000 0.956,1001 0.956,1002 5.007,1003 1.4,1004 5.82,1005 4.739,1006 4.443,1007 5.1,1008 1.635,1009 6.64,1010 4.361,1011 6.257,1012 1,1013 7.398,1014 3.027,1015 4.205,1016 5.112,1018 7.82,1019 4.026,1020 7.6,1021 1,1022 9.092,1023 2.427,1024 6.098,1025 7.399,1026 2.253,1027 10.82,1028 5.907,1029 8.985,1030 1,1031 10.859,1032 2.275,1033 6.661,1034 8.221,1036 12.854,1037 6.349,1038 10.406,1039 0.735,1040 12.677,1041 2.136,1042 8.089,1043 10.032,1044 2.922,1045 15.481,1046 7.756,1047 11.853,1049 14.53,1050 1.744,1051 9.004,1052 11.222,1054 17.828,1055 8.547,1056 13.322,1057 -0.126,1058 16.411,1060 10.269,1061 12.854,1062 3.619,1063 20.366,1064 9.769,1065 3.392,1066 -0.456,1067 18.314,1068 -0.331,1069 11.343,1070 14.222,1072 22.824,1073 10.726,1074 2.976,1075 12.508,1076 20.233,1077 -1.085,1078 12.555,1079 15.787,1080 4.33,1081 25.343,1082 11.873,1083 2.551,1084 9.56,1085 22.165,1086 4.707,1087 13.7,1088 17.242,1090 27.841,1091 12.909,1092 2.417,1093 7.203,1094 24.108,1095 4.007,1096 14.899,1097 18.784,1098 5.047,1099 30.36,1100 14.028,1101 2.247,1102 6.886,1103 26.059,1104 3.526,1105 16.077,1106 20.281,1108 32.872,1109 15.102,1110 1.855,1111 6.509,1112 28.017,1113 3.391,1114 17.276,1115 21.818,1116 5.769,1117 35.393,1118 16.212,1119 1.661,1120 4.818,1121 29.98,1122 3.02,1123 18.47,1124 23.337,1126 37.913,1127 17.304,1128 10313,1129 20334,1130 19.474,1131 29.75,1132 45.374,1133 46.225,1134 45.852,1135 44.612,1136 44.467,1137 62.295,1138 2.873,1139 127.662,1140 42.792,1141 5.676,1142 6.686,1143 7.11,1144 5.375,1145 5.392,1146 7.707,1147 2.873,1148 19.847,1149 5.086,1150 15.589,1151 1.512,1152 1.541,1153 1.528,1154 1.487,1155 1.482,1156 2.076,1157 0.096,1158 4.255,1159 1.426,1160 4.089,1161 4.077,1162 4.736,1163 4.066,1164 7.717,1165 3.985,1166 3.93,1167 3.944,1168 3.909,1169 3.847,1170 7.475,1171 3.849,1172 3.829,1173 3.869,1174 3.77,1175 3.725,1176 6.999,1177 3.73,1178 3.609,1179 3.593,1180 3.702,1181 3.523,1182 6.469,1183 3.454,1184 3.3,1185 3.297,1186 3.269,1187 3.04,1188 6.35,1189 3.088,1190 3.078,1191 3.125,1192 3.029,1193 2.832,1194 4.999,1195 2.862,1196 2.862,1197 2.925,1198 2.76,1199 2.735,1200 4.897,1201 2.719,1202 2.854,1203 2.916,1204 2.687,1205 2.728,1206 4.601,1207 2.715,1208 0.162,1209 0.156,1210 0.244,1211 0.144,1212 0.113,1213 4.856,1214 0.157,1215 4.686,1216 0.048,1217 7.308,1218 0.417,1219 4.31,1220 0.103,1221 3.392,1222 4.707,1223 1.437,1224 12.508,1225 3.086,1226 1.967,1227 1.971,1228 1.992,1229 2.054,1230 1.164,1231 2.078,1232 1.884,1233 1.87,1234 1.95,1235 1.992,1236 1.057,1237 1.985,1238 1.804,1239 1.765,1240 1.924,1241 1.925,1242 0.935,1243 1.928,1244 1.43,1245 1.461,1246 1.254,1247 1.596,1248 0.568,1249 1.625,1250 1.131,1251 1.13,1252 1.237,1253 1.437,1254 0.227,1255 1.366,1256 0.957,1257 0.907,1258 1.181,1259 1.249,1260 0.218,1261 1.204,1262 0.886,1263 0.821,1264 1.131,1265 1.062,1266 0.179,1267 1.107,1268 0.849,1269 0.798,1270 1.054,1271 1.037,1272 0.059,1273 1.065,1274 4.111,1276 5.434,1278 6.946,1280 8.539,1282 10.172,1289 18.471,1291 2.362,1300 29.481,1301 78.506,1302 145.204,1303 178.503,1304 211.722,1305 216.477,1306 216.477,1307 72.743,1308 7.16,1309 141.31,1310 149.69,1311 18,1312 12.368,1313 4.524,1314 3.807,1315 50.093,1316 130,1317 110,1318 0.189,1319 187.34,1320 327.6,1321 448.87,1322 12758,1324 20.148,1325 0.72,1326 0.537,1327 20.398,1328 15.036,1329 13.348,1330 0.445,1331 0.312,1332 7.868,1333 12.001,1334 7.621,1335 6.331,1336 14.169,1337 9.353,1338 12.556,1339 0.299,1340 0.172,1341 13.856,1342 7.203,1343 9.698,1344 0.19,1345 0.096,1346 10.802,1347 4.913,1348 7.645,1349 0.125,1350 0.052,1351 8.677,1352 3.193,1353 5.905,1354 0.081,1355 0.029,1356 6.76,1357 2.119,1358 0.306,1359 92.776,1360 0.227,1361 27.34,1362 0.491,1363 144,1364 543.635,1365 198.658,1366 543.998,1367 717.54,1368 496,1369 165,1370 489.727,1371 227.068,1372 529.284,1373 760.4,1374 494,1375 4.707} {0 CHEMBL42170,1 1.718,2 13.786,3 4.274,4 18.27,5 109.44,6 8.019,7 0.414,8 4.036,9 4.136,10 3.788,11 3.621,12 5.101,13 3.556,14 4.587,15 4.747,16 4.042,17 3.993,18 5.898,19 3.892,20 4.88,21 5.097,22 4.045,23 4.128,24 5.922,25 3.982,26 4.912,27 5.136,28 3.902,29 4.064,30 5.983,31 3.918,32 4.878,33 5.12,34 3.875,35 4.004,36 5.869,37 3.849,38 4.828,39 5.076,40 3.886,41 3.947,42 5.898,43 3.797,44 4.745,45 5.003,46 3.762,47 3.905,48 5.695,49 3.739,50 4.683,51 4.921,52 3.816,53 3.861,54 5.756,55 3.73,56 0.115,57 0.739,58 13.262,59 5.509,60 23.106,61 6.605,62 0.436,63 1.16,64 22.518,65 9.297,66 81.876,67 11.676,68 0.441,69 1.42,70 38.322,71 12.993,72 79.799,73 15.984,74 0.568,75 1.424,76 39.085,77 12.526,78 101.589,79 15.494,80 0.55,81 1.368,82 38.152,83 11.869,84 99.652,85 15.091,86 0.628,87 1.287,88 34.111,89 10.898,90 101.231,91 14.524,92 0.419,93 1.23,94 31.779,95 10.606,96 63.795,97 13.864,98 0.364,99 1.142,100 33.295,101 10.3,102 61.255,103 12.992,104 32,105 38,106 0.287,107 0.598,108 0.753,109 0.851,110 0.876,111 0.876,112 3.373,113 1.152,114 -3.74,115 -3.71,116 -3.53,118 37.7,120 7,124 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 3,175 3,177 2,180 13,181 1,186 7,191 4,194 12,195 1,198 9,203 4,206 6,207 1,210 5,215 3,218 7,219 1,222 6,227 3,229 8,230 1,234 6,237 1,239 2,242 7,243 1,247 3,248 1,252 2,255 8,256 2,258 3,259 4,262 1,264 3,267 7,268 1,270 1412,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.407,277 14.908,278 11.287,279 18.782,280 14.316,281 14.316,282 14.316,283 14.316,284 14.316,285 11.28,286 7.845,287 5.37,288 14.985,289 4.01,290 2.151,291 1.229,292 0.642,293 0.491,294 0.491,295 4.039,297 1,299 1,300 1,301 785,302 4.472,306 220.374,313 2.158,314 39.428,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.333,326 386,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 4.196,337 3.596,338 6.137,339 3.84,340 2.845,341 3.802,343 9.033,344 2.832,345 3.835,346 3.067,347 5.149,348 3.313,349 2.401,350 3.393,352 6.32,353 2.222,354 3.55,355 2.898,356 4.733,357 3.24,358 2.234,359 2.71,361 5.185,362 2.159,363 3.087,364 2.08,365 4.659,366 2.816,367 1.826,368 2.293,370 4.778,371 1.806,372 2.991,373 1.909,374 4.457,375 2.631,376 1.677,377 2.118,379 4.527,380 1.577,381 2.939,382 1.674,383 3.711,384 2.518,385 1.56,386 2.11,388 3.297,389 1.444,390 2.599,391 1.521,392 3.588,393 2.373,394 1.395,395 1.596,397 2.97,398 1.358,399 2.5,400 1.401,401 3.555,402 2.227,403 1.267,404 1.5,406 2.789,407 1.207,408 2.482,409 1.01,410 3.414,411 2,412 1,413 1.469,415 2.275,416 1,417 1.917,418 1,419 3.122,420 1.756,421 0.76,422 0.843,424 1.599,425 0.753,426 1.602,427 0.753,428 2.951,429 1.412,430 0.451,431 0.5,433 1.009,434 0.431,435 1.153,436 0.57,437 2.666,438 0.973,439 -0.014,440 -0.015,442 -0.031,443 -0.014,444 1.119,445 0.452,446 2.394,447 0.608,448 -0.221,449 -0.274,451 -0.485,452 -0.147,453 1,454 0.171,455 2.193,456 0.544,457 -0.432,458 -0.489,460 -0.986,461 -0.422,462 13.681,463 0.489,464 0.704,465 0.025,466 33,467 1.179,468 16.5,469 0.589,470 16.5,471 0.589,472 25.338,473 0.905,474 31.919,475 0.602,476 24.172,477 0.863,478 6.043,479 0.216,480 7.338,481 0.262,482 0.15,483 0.061,484 0.183,487 0.587,488 1.323,489 0.754,490 1.197,491 0.67,492 1.004,493 0.475,494 1.167,495 0.799,496 1.044,497 0.435,498 1.081,499 0.872,500 1.072,501 1.034,502 1.079,503 0.824,504 1.019,505 1.103,506 1.073,507 1.067,508 1.072,509 1.106,510 1.078,511 0.971,512 1.02,513 0.763,514 0.902,515 1.043,516 1.005,517 0.721,518 0.988,519 0.714,520 0.886,521 0.761,522 0.992,523 0.718,524 0.884,525 0.792,526 0.865,527 0.636,528 0.923,529 0.815,530 1.007,531 0.974,532 1.069,533 0.76,534 0.907,535 6,536 0.132,537 3.333,538 1.5,539 0.964,540 0.674,541 0.304,542 0.38,543 0.354,544 0.196,545 10441,546 36360,547 1.947,548 47.2,549 10,550 7,552 2,553 2,554 2,555 2,558 1.706,559 1.816,560 3.705,561 0.282,563 1,567 91.045,568 1.718,569 3.577,570 4.499,571 5.086,572 5.237,573 5.237,574 3.244,575 4.379,576 4.775,577 3.919,578 1481.51,579 8.283,580 21385.7,582 1,584 1,585 303.58,586 1.496,587 4.724,588 0.207,589 0.006,590 0.088,591 0.041,592 0.03,593 0.023,594 0.011,595 0.014,596 0.012,597 0.007,598 0.438,599 0.33,600 0.88,601 1.646,602 145.474,603 0.037,604 -0.069,605 0.132,606 -0.031,607 -0.091,608 0.03,609 0.259,610 -0.037,611 0.02,612 -0.034,613 0.281,614 -0.087,615 -0.068,616 -0.06,617 -0.04,618 -0.026,619 -0.023,620 -0.004,621 -0.156,622 -0.079,623 -0.14,624 -0.084,625 -0.113,626 -0.102,627 -0.103,628 -0.048,629 0.024,630 0.014,631 -0.126,632 -0.038,633 0.093,634 -0.037,635 0.1,636 -0.007,637 0.032,638 -0.019,639 -0.009,640 0.104,641 0.065,642 0.078,643 0.007,644 0.068,645 -0.003,646 -0.015,647 0.039,648 -0.025,649 0.046,650 0.104,651 4.455,652 5.267,653 0.429,654 31.663,655 1.01,656 1.126,657 2.515,658 6.323,659 0.669,660 3.401,661 3.664,662 3.784,663 3.892,664 4.025,665 3.97,666 3.892,667 3.892,668 3.932,669 3.932,670 8.005,671 0.627,672 424.99,673 3.401,674 4.905,675 5.694,676 6.529,677 7.34,678 8.181,679 9.001,680 9.846,681 10.672,682 11.52,683 3.8,685 1,693 1,699 7,700 1,704 4,706 12,723 1,724 53,726 15,727 1,728 29,730 54,731 20,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 8,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 8,847 1,861 1,862 7.5,864 1,865 3,869 15.417,870 9.043,871 6.319,872 3.295,874 2.228,875 1.329,876 0.93,877 9.066,878 8.995,879 3.664,880 4.205,881 4.575,882 4.978,883 5.414,884 5.412,885 5.381,886 5.213,887 5.379,888 5.573,889 1,890 37,891 10.58,893 4.583,894 8.066,895 19.644,897 15.867,899 2.566,900 71.861,903 1,904 270.735,905 103.463,906 33.191,907 39.149,908 112.141,910 5.807,911 97.656,912 422.025,913 33.191,915 19.847,916 69.594,917 153.379,918 29.517,920 247.193,921 39.149,922 270.735,923 130.846,924 112.141,925 44.956,927 247.193,928 135.683,931 54.347,932 59.714,933 61.742,935 270.735,936 145.332,937 142.612,939 5.807,940 270.735,941 32.18,942 65.476,943 16.405,944 168.075,945 270.735,946 145.332,947 142.612,949 0.568,950 0.303,951 0.145,952 0.077,953 14,954 7,955 0.222,956 12,958 1,959 4.073,960 209.714,962 12,963 128.606,967 1,968 22.509,969 11.278,970 8.017,972 145.332,973 11.601,974 4.17,978 2.979,980 59.088,981 558.679,982 38,986 -3.538,987 35.078,991 -0.761,994 53.516,995 59.681,996 0.3,997 0.624,998 0.785,999 0.888,1000 0.914,1001 0.914,1002 4.868,1003 1.395,1004 5.68,1005 3.297,1006 4.344,1007 4.89,1008 2.258,1009 6.447,1010 4.253,1011 6.072,1012 1.267,1013 7.225,1014 2.97,1015 4.007,1016 4.934,1017 2.243,1018 7.644,1019 3.783,1020 7.397,1021 1,1022 8.898,1023 2.789,1024 5.943,1025 7.139,1026 3.628,1027 10.616,1028 5.738,1029 8.772,1030 0.76,1031 10.658,1032 2.275,1033 6.463,1034 8.04,1035 4.112,1036 12.714,1037 6.104,1038 10.19,1039 0.451,1040 12.479,1041 1.599,1042 7.912,1043 9.8,1044 5.201,1045 15.328,1046 7.553,1047 11.641,1048 -0.014,1049 14.342,1050 1.009,1051 8.819,1052 11.058,1053 5.889,1054 17.71,1055 8.312,1056 13.116,1057 -0.221,1058 16.237,1059 -0.031,1060 10.095,1061 12.67,1062 6.849,1063 20.243,1064 9.553,1065 3.374,1066 -0.432,1067 18.154,1068 -0.485,1069 11.172,1070 14.082,1071 7.625,1072 22.712,1073 10.497,1074 2.845,1075 12.404,1076 20.087,1077 -0.986,1078 12.39,1079 15.642,1080 8.526,1081 25.228,1082 11.651,1083 2.401,1084 9.033,1085 22.033,1086 4.697,1087 13.54,1088 17.123,1089 9.342,1090 27.726,1091 12.68,1092 2.234,1093 6.32,1094 23.987,1095 3.802,1096 14.743,1097 18.667,1098 10.216,1099 30.24,1100 13.8,1101 1.826,1102 5.185,1103 25.948,1104 3.393,1105 15.924,1106 20.18,1107 11.051,1108 32.75,1109 14.869,1110 1.677,1111 4.778,1112 27.914,1113 2.71,1114 17.127,1115 21.721,1116 11.912,1117 35.265,1118 15.977,1119 1.56,1120 4.527,1121 29.884,1122 2.293,1123 18.323,1124 23.249,1125 12.755,1126 37.779,1127 17.063,1128 10546,1129 19879,1130 18.663,1131 35.472,1132 41.637,1133 43.373,1134 42.734,1135 41.854,1136 41.581,1137 54.062,1138 4.682,1139 112.371,1140 39.699,1141 5.78,1142 6.683,1143 7.067,1144 5.337,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.113,1151 1.436,1152 1.496,1153 1.474,1154 1.443,1155 1.434,1156 1.864,1157 0.161,1158 3.875,1159 1.369,1160 4.077,1161 4.061,1162 4.735,1163 4.064,1164 7.717,1165 3.976,1166 3.941,1167 3.972,1168 3.925,1169 3.861,1170 7.474,1171 3.856,1172 3.723,1173 3.773,1174 3.878,1175 3.598,1176 6.999,1177 3.573,1178 3.666,1179 3.691,1180 3.592,1181 3.566,1182 6.351,1183 3.521,1184 3.459,1185 3.486,1186 3.351,1187 3.321,1188 4.93,1189 3.29,1190 3.401,1191 3.439,1192 3.283,1193 3.212,1194 4.876,1195 3.213,1196 3.057,1197 3.107,1198 3.153,1199 2.842,1200 4.271,1201 2.848,1202 2.915,1203 2.997,1204 2.896,1205 2.735,1206 4.147,1207 2.715,1208 0.167,1209 0.161,1210 0.251,1211 0.148,1212 0.116,1213 4.844,1214 0.162,1215 4.683,1216 0.081,1217 7.293,1218 0.428,1219 4.291,1220 0.106,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.958,1227 1.966,1228 2.073,1229 2.048,1230 1.383,1231 2.075,1232 1.92,1233 1.887,1234 1.961,1235 2.005,1236 1.277,1237 2.034,1238 1.715,1239 1.662,1240 1.942,1241 1.886,1242 1.153,1243 1.908,1244 1.586,1245 1.555,1246 1.786,1247 1.771,1248 1.037,1249 1.79,1250 1.39,1251 1.368,1252 1.627,1253 1.612,1254 0.823,1255 1.618,1256 1.329,1257 1.302,1258 1.322,1259 1.5,1260 0.587,1261 1.541,1262 1.004,1263 0.954,1264 1.294,1265 1.283,1266 0.465,1267 1.282,1268 0.889,1269 0.821,1270 1.181,1271 1.134,1272 0.355,1273 1.17,1274 4.078,1276 5.352,1278 6.808,1280 8.351,1282 9.942,1285 5.792,1289 8.672,1290 5.255,1291 2.613,1300 33.238,1301 91.045,1302 189.564,1303 238.46,1304 269.58,1305 277.58,1306 277.58,1307 89.17,1308 6.766,1309 96.36,1310 104.74,1311 12,1312 12.085,1313 4,1314 3.322,1315 62.278,1316 134,1317 134,1318 0.22,1319 216.376,1320 380.44,1321 519.718,1322 8311,1323 1.9,1324 20.408,1325 0.729,1326 0.613,1327 21.158,1328 17.176,1329 13.382,1330 0.461,1331 0.384,1332 9.338,1333 11.885,1334 9.001,1335 7.471,1336 14.492,1337 11.132,1338 12.028,1339 0.317,1340 0.23,1341 13.759,1342 8.757,1343 8.69,1344 0.202,1345 0.142,1346 10.086,1347 6.109,1348 6.413,1349 0.134,1350 0.085,1351 7.446,1352 4.076,1353 4.88,1354 0.089,1355 0.053,1356 5.833,1357 2.907,1358 0.361,1359 94.759,1360 0.231,1361 27.675,1362 0.565,1363 134,1364 444.398,1365 197.911,1366 476.175,1367 609.82,1368 434,1369 148,1370 371.182,1371 210.974,1372 420.392,1373 599.09,1374 393,1375 7} {0 CHEMBL421854,1 1.592,2 11.939,3 4.638,4 21.509,5 133.202,6 7.354,7 0.486,8 4.196,9 4.337,10 3.734,11 3.673,12 5.365,13 3.66,14 4.684,15 4.878,16 4.023,17 4.03,18 5.85,19 3.976,20 4.907,21 5.139,22 3.971,23 4.138,24 5.896,25 4.044,26 4.974,27 5.236,28 4.022,29 4.155,30 5.935,31 4.065,32 4.932,33 5.143,34 4.145,35 4.226,36 5.987,37 4.158,38 5.094,39 5.329,40 4.16,41 4.332,42 6.065,43 4.243,44 5.174,45 5.43,46 4.193,47 4.355,48 6.133,49 4.255,50 5.151,51 5.405,52 4.151,53 4.265,54 6.218,55 4.182,56 0.141,57 0.954,58 12.807,59 5.021,60 15.647,61 6.957,62 0.418,63 1.406,64 22.652,65 8.468,66 53.324,67 12.012,68 0.377,69 1.577,70 30.105,71 10.21,72 51.463,73 15.124,74 0.503,75 1.634,76 33.538,77 10.557,78 59.553,79 16.069,80 0.374,81 1.731,82 29.823,83 10.335,84 47.749,85 15.18,86 0.428,87 1.957,88 36.024,89 11.314,90 52.27,91 17.487,92 0.408,93 2.024,94 39.997,95 12.793,96 52.964,97 19.902,98 0.462,99 1.911,100 39.574,101 11.175,102 66.131,103 17.795,104 31,105 45,106 0.256,107 0.644,108 0.819,109 0.881,110 0.886,111 0.886,112 3.532,113 0.922,114 -5.11,115 -5.01,116 -4.69,118 37.7,119 2,120 3,121 1,124 1,133 1,134 1,140 6,141 2,142 1,143 2,148 1,154 1,155 1,162 1,163 1,165 2,167 1,168 14,169 1,171 2,172 4,175 6,176 1,177 3,180 15,181 1,186 5,189 1,190 1,191 3,194 14,195 1,197 2,198 5,201 2,203 7,206 13,207 1,209 1,210 6,213 2,214 1,215 9,218 12,219 1,222 11,227 5,229 10,230 2,234 17,237 1,239 9,242 10,243 3,247 13,248 1,252 10,255 7,256 2,258 2,259 10,262 2,264 6,265 1,267 6,268 1,270 2135,271 22.258,272 22.258,273 22.258,274 22.258,275 22.258,276 19.512,277 20.136,278 13.859,279 22.589,280 17.364,281 17.364,282 17.364,283 17.364,284 17.364,285 13.393,286 25.406,287 6.694,288 17.909,289 4.338,290 1.925,291 0.836,292 0.451,293 0.418,294 0.418,295 4.215,300 1,301 816,302 4.69,305 110.804,306 254.582,313 1.888,314 27.267,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.67,324 0.64,325 72,326 394,327 4.393,328 3.596,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.059,337 3.154,338 5.69,339 3.655,340 2.729,341 3.549,342 1.263,343 8.02,344 2.542,345 3.898,346 3.023,347 5.43,348 3.449,349 2.491,350 3.467,351 0.277,352 7.173,353 2.378,354 3.672,355 2.586,356 5.144,357 3.251,358 2.285,359 3.031,360 0.247,361 6.257,362 2.219,363 3.551,364 2.439,365 4.869,366 3.237,367 2.232,368 2.762,370 5.535,371 2.21,372 3.433,373 2.174,374 4.659,375 3.09,376 2.114,377 2.705,379 5.183,380 2.056,381 3.129,382 2.055,383 4.576,384 2.872,385 1.909,386 2.188,388 4.928,389 1.831,390 2.975,391 1.846,392 4.112,393 2.56,394 1.571,395 2.094,397 3.725,398 1.55,399 2.726,400 1.479,401 3.564,402 2.377,403 1.397,404 1.784,406 2.947,407 1.364,408 2.639,409 1.29,410 3.498,411 2.187,412 1.197,413 1.672,415 2.636,416 1.184,417 2.584,418 1.211,419 3.417,420 2.122,421 1.151,422 1.603,424 2.538,425 1.114,426 2.5,427 1.101,428 3.259,429 1.957,430 1,431 1.5,433 2.136,434 0.954,435 2.205,436 1,437 3.247,438 1.802,439 0.805,440 1.062,442 1.924,443 0.799,444 2.118,445 0.805,446 3,447 1.591,448 0.618,449 0.927,451 1.372,452 0.6,453 1.635,454 0.618,455 2.957,456 1.447,457 0.518,458 0.551,460 1.164,461 0.48,462 15.367,463 0.466,464 0.664,465 0.02,466 42,467 1.273,468 21.5,469 0.652,470 20.5,471 0.621,472 28.948,473 0.877,474 36.233,475 0.594,476 33.757,477 1.023,478 8.352,479 0.253,480 7.656,481 0.232,482 0.108,484 0.26,487 0.783,488 1.229,489 0.829,490 1.1,491 0.734,492 0.993,493 0.462,494 0.971,495 0.858,496 1.09,497 0.432,498 1.05,499 0.884,500 1.068,501 1.01,502 1.088,503 0.933,504 1.079,505 0.802,506 0.816,507 0.841,508 0.816,509 0.754,510 0.831,511 0.821,512 1.135,513 0.968,514 1.105,515 0.771,516 1.072,517 0.914,518 1.101,519 1.084,520 1.06,521 0.679,522 1.081,523 0.703,524 1.122,525 0.923,526 1.083,527 0.545,528 1.037,529 1.036,530 1.155,531 1.036,532 1.095,533 0.826,534 1.054,535 6,536 0.19,537 2.222,538 1.785,539 0.968,540 0.639,541 0.687,542 0.589,543 0.428,544 0.286,545 14666,546 43340,547 2.029,548 45.9,549 10,550 9,552 2,553 4,554 2,555 1,558 1.759,559 1.922,560 3.534,561 1.603,567 97.127,568 1.592,569 4.006,570 5.094,571 5.48,572 5.513,573 5.513,574 2.95,575 4.62,576 5.012,577 3.762,578 1986.23,579 8.819,580 30805.2,582 1,585 361.775,586 1.28,587 4.986,588 0.171,589 0.006,590 0.049,591 0.042,592 0.022,593 0.013,594 0.013,595 0.011,596 0.009,597 0.007,598 0.344,600 0.88,601 1.563,602 175.981,603 0.037,604 0.05,605 0.03,606 0.012,607 -0.038,608 0.012,609 0.321,610 0.181,611 0.044,612 -0.024,613 0.254,614 -0.041,615 -0.062,616 -0.043,617 -0.069,618 -0.043,619 -0.11,620 -0.06,621 0.017,622 0.162,623 0.129,624 0.187,625 -0.017,626 0.177,627 -0.016,628 -0.037,629 -0.049,630 -0.052,631 -0.044,632 -0.062,633 -0.163,634 -0.029,635 -0.151,636 -0.045,637 -0.109,638 -0.084,639 -0.008,640 -0.119,641 0.024,642 -0.064,643 0.019,644 -0.019,645 -0.117,646 -0.151,647 -0.058,648 -0.129,649 0.005,650 -0.081,651 2.458,652 3.869,653 0.515,654 38.657,655 1.005,656 1.14,657 3.884,658 15.089,659 0.649,660 3.584,661 3.829,662 3.989,663 4.22,664 4.369,665 4.419,666 4.585,667 4.673,668 4.691,669 4.718,670 7.521,671 0.621,672 448.59,673 3.584,674 5.081,675 5.878,676 6.715,677 7.535,678 8.382,679 9.215,680 10.066,681 10.907,682 11.762,683 13.1,688 2,691 1,692 1,693 4,699 8,700 4,701 1,704 4,706 17,717 2,724 61,726 20,727 1,728 35,730 63,731 23,733 12,734 2,735 4,736 2,739 3,740 3,743 1,745 2,751 3,753 16,754 7,755 1,756 3,761 1,763 1,764 1,765 3,772 28,773 9,774 4,775 10,779 8,784 1,785 2,795 1,801 1,802 2,818 1,822 1,823 1,830 1,832 3,836 2,840 33,845 1,846 4,847 2,850 1,862 3.3,864 1,865 1,869 17.167,870 11.2,871 7.472,872 3.643,874 2.751,875 1.381,876 0.936,877 9.247,878 9.975,879 3.861,880 4.373,881 4.831,882 5.367,883 5.764,884 5.944,885 6.366,886 6.68,887 6.922,888 7.182,889 0.875,890 42,891 12.099,893 4.893,894 7.818,895 22.903,897 17.771,899 2.318,900 76.5,904 282.506,905 128.81,906 136,908 67.828,911 128.81,912 350.335,913 136,914 17.65,915 9.709,916 66.334,917 194.954,918 63.734,919 3.798,920 258.964,922 282.506,923 264.809,924 67.828,927 270.735,928 79.599,931 80.68,932 71.98,933 112.15,935 282.506,936 203.828,937 128.81,940 282.506,941 26.731,942 102.079,943 52.562,944 151.266,945 282.506,946 203.828,947 128.81,949 0.559,950 0.294,951 0.159,952 0.087,953 17,954 8,955 0.19,956 12,958 1,959 4.409,960 283.924,962 17,963 162.465,968 24.244,969 12.587,970 8.224,972 187.287,973 15.321,974 15.637,975 2.431,978 3.08,980 95.245,981 615.144,982 46.5,987 10.869,989 2.06,990 4.596,991 0.708,994 61.305,995 69.557,996 0.268,997 0.675,998 0.859,999 0.924,1000 0.929,1001 0.929,1002 5.051,1003 1.571,1004 5.814,1005 4.928,1006 4.511,1007 5.059,1008 2.54,1009 6.518,1010 4.451,1011 6.219,1012 1.397,1013 7.298,1014 3.725,1015 3.892,1016 4.575,1017 2.331,1018 7.209,1019 3.805,1020 7.482,1021 1.197,1022 8.881,1023 2.947,1024 5.989,1025 7.114,1026 3.72,1027 10.287,1028 5.872,1029 8.777,1030 1.151,1031 10.526,1032 2.636,1033 6.196,1034 7.458,1035 4.148,1036 11.886,1037 6.059,1038 10.103,1039 1,1040 12.216,1041 2.538,1042 7.727,1043 9.427,1044 5.228,1045 14.462,1046 7.564,1047 11.451,1048 0.805,1049 13.938,1050 2.136,1051 8.346,1052 10.196,1053 5.901,1054 16.463,1055 8.174,1056 12.817,1057 0.618,1058 15.685,1059 1.924,1060 9.625,1061 11.887,1062 6.856,1063 18.866,1064 9.435,1065 3.03,1066 0.518,1067 17.453,1068 1.372,1069 10.466,1070 12.897,1071 7.629,1072 21.046,1073 10.275,1074 2.729,1075 10.225,1076 19.236,1077 1.164,1078 11.629,1079 14.44,1080 8.528,1081 23.392,1082 11.427,1083 2.491,1084 8.02,1085 21.034,1086 3.988,1087 12.589,1088 15.593,1089 9.343,1090 25.65,1091 12.391,1092 2.285,1093 7.173,1094 22.843,1095 3.549,1096 13.703,1097 17.054,1098 10.216,1099 27.977,1100 13.501,1101 2.232,1102 6.257,1103 24.662,1104 3.467,1105 14.725,1106 18.293,1107 11.051,1108 30.27,1109 14.53,1110 2.114,1111 5.535,1112 26.489,1113 3.031,1114 15.821,1115 19.71,1116 11.912,1117 32.592,1118 15.625,1119 1.909,1120 5.183,1121 28.323,1122 2.762,1123 16.877,1124 21.001,1125 12.755,1126 34.901,1127 16.688,1128 14514,1129 25140,1130 23.345,1131 39.569,1132 51.176,1133 51.191,1134 51.07,1135 50.401,1136 50.34,1137 66.036,1138 8.255,1139 132.078,1140 48.838,1141 5.269,1142 5.596,1143 6.31,1144 5.092,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 16.127,1151 1.462,1152 1.463,1153 1.459,1154 1.44,1155 1.438,1156 1.887,1157 0.236,1158 3.774,1159 1.395,1160 4.015,1161 4.05,1162 3.963,1163 3.95,1164 7.474,1165 3.948,1166 3.843,1167 3.927,1168 3.804,1169 3.715,1170 6.351,1171 3.718,1172 3.785,1173 3.841,1174 3.732,1175 3.587,1176 5.276,1177 3.591,1178 3.698,1179 3.773,1180 3.581,1181 3.549,1182 4.927,1183 3.544,1184 3.695,1185 3.74,1186 3.567,1187 3.406,1188 4.791,1189 3.468,1190 3.408,1191 3.468,1192 3.32,1193 3.227,1194 4.597,1195 3.241,1196 3.328,1197 3.386,1198 3.224,1199 3.059,1200 4.244,1201 3.099,1202 3.035,1203 3.074,1204 2.912,1205 2.837,1206 4.155,1207 2.85,1208 0.126,1209 0.103,1210 0.186,1211 0.115,1212 0.087,1213 4.393,1214 0.114,1215 3.596,1216 0.067,1217 6.508,1218 0.292,1219 4.026,1220 0.086,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.075,1229 2.06,1230 1.283,1231 2.066,1232 1.795,1233 1.757,1234 1.976,1235 1.944,1236 1.221,1237 1.949,1238 1.719,1239 1.654,1240 1.921,1241 1.88,1242 1.124,1243 1.899,1244 1.677,1245 1.628,1246 1.887,1247 1.855,1248 0.943,1249 1.868,1250 1.411,1251 1.341,1252 1.554,1253 1.703,1254 0.675,1255 1.665,1256 1.319,1257 1.277,1258 1.511,1259 1.605,1260 0.553,1261 1.529,1262 1.104,1263 0.998,1264 1.417,1265 1.533,1266 0.469,1267 1.508,1268 1.018,1269 0.938,1270 1.296,1271 1.352,1272 0.371,1273 1.317,1274 4.263,1276 5.525,1277 2.398,1278 6.956,1279 4.443,1280 8.469,1281 6.26,1282 10.032,1284 4.177,1289 8.932,1290 1.972,1291 6.337,1294 0.381,1300 37.869,1301 97.127,1302 244.378,1303 310.755,1304 334.265,1305 336.265,1306 336.265,1307 64.116,1308 7.224,1309 141.07,1310 141.07,1311 17,1312 12.32,1313 4.392,1314 3.644,1315 63.779,1316 147,1317 151,1318 0.206,1319 239.36,1320 413.22,1321 575.797,1322 12585,1324 23.468,1325 0.711,1326 0.566,1327 23.468,1328 18.693,1329 16.008,1330 0.457,1331 0.307,1332 10.602,1333 15.323,1334 10.323,1335 8.709,1336 16.008,1337 10.757,1338 13.992,1339 0.311,1340 0.173,1341 13.992,1342 7.795,1343 10.213,1344 0.193,1345 0.086,1346 10.213,1347 4.542,1348 8.377,1349 0.125,1350 0.045,1351 8.377,1352 3.03,1353 6.419,1354 0.082,1355 0.026,1356 6.419,1357 1.996,1358 0.324,1359 100.882,1360 0.207,1361 30.814,1362 0.565,1363 160,1364 499.109,1365 178.305,1366 488.088,1367 659.12,1368 454,1369 178,1370 486.693,1371 194.701,1372 490.709,1373 697.69,1374 459,1375 6.032} {0 CHEMBL42217,1 1.547,2 7.842,3 2.019,4 4.078,5 71.731,6 8.138,7 0.762,8 3.557,9 3.654,10 3.2,11 3.153,12 4.783,13 3.149,14 4.02,15 4.155,16 3.536,17 3.539,18 5.316,19 3.513,20 4.217,21 4.382,22 3.495,23 3.65,24 5.319,25 3.575,26 4.306,27 4.514,28 3.454,29 3.579,30 5.448,31 3.505,32 4.19,33 4.382,34 3.322,35 3.418,36 5.431,37 3.351,38 4.052,39 4.289,40 2.952,41 3.174,42 5.12,43 3.071,44 3.676,45 3.92,46 2.764,47 2.893,48 4.638,49 2.804,50 3.51,51 3.714,52 2.636,53 2.675,54 4.741,55 2.62,56 0.041,57 0.427,58 5.158,59 2.646,60 7.916,61 3.05,62 0.211,63 0.694,64 9.194,65 4.127,66 29.753,67 4.976,68 0.096,69 0.79,70 12.087,71 5.85,72 17.95,73 7.327,74 0.182,75 0.842,76 15.468,77 6.307,78 29.561,79 8.055,80 0.177,81 0.73,82 13.603,83 5.557,84 31.345,85 6.805,86 0.237,87 0.642,88 13.331,89 4.742,90 40.585,91 6.006,92 0.086,93 0.463,94 8.649,95 3.285,96 14.817,97 4.537,98 0.234,99 0.373,100 7.388,101 2.454,102 24.18,103 2.99,104 6,105 29,106 0.287,107 0.631,108 0.802,109 0.895,110 0.907,111 0.907,112 3.011,113 0.849,114 -3.7,115 -3.67,116 -3.49,118 48.4,124 1,140 6,141 4,143 1,149 1,154 1,156 1,163 1,167 1,168 11,169 1,171 1,172 2,175 1,177 1,180 14,181 2,186 4,191 2,194 12,195 3,198 6,203 3,206 6,207 3,210 7,215 3,218 2,219 1,222 5,227 1,234 3,235 1,246 1,247 2,250 1,259 1,260 1,270 367,271 12.93,272 12.93,273 12.93,274 12.93,275 12.93,276 10.906,277 10.659,278 7.702,279 13.112,280 10.389,281 10.389,282 10.389,283 10.389,284 10.389,285 7.383,286 15.208,287 3.657,288 10.671,289 3.407,290 1.55,291 0.629,292 0.129,293 0.065,294 0.065,295 3.69,298 1,299 1,300 1,301 322,302 2.55,305 47.422,306 87.576,310 74.994,313 1.446,314 16.62,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41,326 149,327 4.563,328 3.611,329 6.648,330 4.115,331 3.115,332 4.494,333 1.437,334 10.637,335 3.112,336 4.01,337 3.01,338 5.705,339 3.621,340 2.663,341 3.541,342 0.522,343 7.871,344 2.568,345 3.806,346 2.741,347 5.459,348 3.349,349 2.381,350 3.292,352 7.001,353 2.28,354 3.437,355 2.25,356 4.975,357 2.999,358 2.012,359 2.781,361 5.763,362 1.972,363 3.062,364 1.756,365 4.377,366 2.565,367 1.565,368 2.312,370 4.054,371 1.562,372 2.844,373 1.519,374 3.766,375 2.332,376 1.33,377 1.945,379 3.032,380 1.322,381 2.585,382 1.22,383 3.435,384 2.085,385 1.158,386 1.62,388 2.557,389 1.072,390 2.248,391 0.897,392 3.277,393 1.743,394 0.743,395 1.091,397 1.757,398 0.738,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.281,409 0.435,410 2.755,411 0.916,412 -0.058,413 -0.075,415 -0.158,416 -0.056,417 1.039,418 0.14,419 2.369,420 0.559,421 -0.447,422 -0.627,424 -1.168,425 -0.444,426 0.724,427 -0.381,428 2.262,429 0.291,430 -0.681,431 -0.944,433 -1.762,434 -0.659,435 0.515,436 -0.615,437 2.083,438 0.034,439 -0.982,440 -1.294,442 -2,443 -0.938,444 0.384,445 -0.924,446 1.643,447 -0.036,448 -1,449 -1.479,451 -2.731,452 -1.007,453 0.005,454 -1.24,455 1.476,456 -0.44,457 -1.411,458 -1.842,460 -3.445,461 -1.362,462 8.967,463 0.472,464 0.435,465 0.023,466 27.75,467 1.461,468 15.5,469 0.816,470 12.25,471 0.645,472 10.603,473 0.558,474 19.233,475 0.62,476 18.07,477 0.951,478 5.741,479 0.302,480 3.497,481 0.184,482 0.074,484 0.323,487 0.791,488 1.175,489 0.711,490 0.928,491 0.709,492 0.829,493 0.591,494 0.829,495 0.858,496 0.826,497 0.399,498 0.859,499 0.635,500 1.097,501 1.009,502 1.191,503 0.648,504 1.177,505 0.883,506 0.968,507 0.949,508 1.031,509 0.843,510 1.006,511 1.147,512 1.144,513 1.07,514 1.174,515 1.177,516 1.13,517 1.255,518 0.951,519 1.159,520 0.933,521 1.285,522 1.014,523 0.586,524 1.097,525 0.824,526 0.999,527 0.494,528 0.955,529 1.324,530 0.797,531 1.16,532 0.772,533 1.594,534 0.912,535 3.5,536 0.04,537 1.778,538 1.347,539 0.942,540 0.493,541 0.302,542 0.122,543 0.115,544 0.062,545 3310,546 10177,547 2.113,548 38.7,550 8,551 1,552 2,553 1,558 1.601,559 2,560 2.995,561 -0.301,563 1,564 1,565 1,567 47.957,568 1.547,569 3.405,570 4.325,571 4.825,572 4.89,573 4.89,574 2.55,575 3.827,576 4.219,577 3.141,578 537.074,579 7.179,580 5204.58,581 1,582 1,584 1,585 153.58,586 1.324,587 4.189,588 0.167,589 0.01,590 0.061,591 0.05,592 0.038,593 0.023,594 0.022,595 0.01,596 0.011,597 0.008,598 0.4,599 0.83,600 1,601 0.789,602 81.978,603 -0.081,604 -0.131,605 0.023,606 0.006,607 -0.094,608 0.024,609 0.135,610 0.256,611 -0.065,612 0.095,613 0.198,614 0.01,615 -0.027,616 -0.151,617 -0.161,618 -0.205,619 -0.022,620 -0.207,621 -0.038,622 -0.033,623 0.03,624 -0.042,625 0.012,626 0.002,627 -0.095,628 -0.231,629 -0.08,630 -0.19,631 -0.053,632 -0.147,633 -0.187,634 -0.016,635 -0.086,636 0.05,637 -0.201,638 0.007,639 0.061,640 -0.13,641 0.195,642 -0.019,643 0.049,644 0.09,645 0.055,646 0.208,647 -0.099,648 0.166,649 -0.223,650 0.023,651 2.562,652 4.144,653 0.789,654 13.49,655 1.009,656 1.113,657 2.469,658 6.095,659 0.701,660 3.091,661 3.401,662 3.664,663 3.932,664 4.078,665 4.111,666 4.263,667 4.317,668 4.382,669 4.248,670 4.888,671 0.681,672 252.29,673 3.091,674 4.615,675 5.46,676 6.333,677 7.195,678 8.073,679 8.942,680 9.821,681 10.694,682 11.574,683 6.5,691 1,693 1,698 2,699 9,700 1,704 2,705 1,706 16,714 1,724 31,726 17,727 2,728 21,730 33,731 15,733 13,734 4,735 6,736 1,739 3,740 4,753 14,754 1,756 1,761 1,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 0.667,785 2,801 1,802 2,806 1,830 1,832 2,840 19,845 1,846 1,862 6.5,864 1,865 1,869 9.5,870 5.517,871 4.167,872 1.715,874 3.176,875 1.481,876 0.989,877 2.957,878 9.782,879 3.434,880 4.073,881 4.695,882 5.329,883 5.825,884 6.146,885 6.617,886 7.002,887 7.4,888 7.481,889 1,890 27,891 6.981,893 2.986,894 7.912,895 13.124,897 10.722,899 2.412,900 45.833,901 0.001,904 129.482,905 98.104,906 18.685,908 67.828,911 98.104,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 22.464,919 11.771,920 94.169,922 129.482,923 116.788,924 67.828,927 129.482,928 67.828,931 21.671,932 78.332,933 16.786,935 129.482,936 86.513,937 98.104,940 129.482,941 14.533,942 85.47,944 84.614,945 129.482,946 86.513,947 98.104,949 0.578,950 0.336,951 0.187,952 0.092,953 15,954 6,955 0.091,956 3,957 1,958 1.133,959 3.19,960 140.158,961 0.133,962 15,963 80.711,968 11.785,969 4.767,970 2.317,971 1.71,972 84.614,973 16.563,974 4.003,978 1.458,979 1.974,980 42.683,981 314.099,982 30,987 11.144,991 -0.895,994 31.276,995 34.491,996 0.312,997 0.687,998 0.873,999 0.974,1000 0.987,1001 0.987,1002 4.635,1003 0.743,1004 5.434,1005 2.557,1006 4.078,1007 4.758,1008 1.736,1009 6.229,1010 4.033,1011 5.855,1012 0.618,1013 6.978,1014 1.757,1015 3.611,1016 4.543,1018 7.101,1019 3.559,1020 7.163,1021 -0.058,1022 8.625,1023 1.372,1024 5.645,1025 7.023,1026 2.269,1027 10.204,1028 5.571,1029 8.511,1030 -0.447,1031 10.334,1032 -0.158,1033 6.019,1034 7.683,1036 11.936,1037 5.943,1038 9.891,1039 -0.681,1040 12.083,1041 -1.168,1042 7.502,1043 9.587,1044 2.925,1045 14.548,1046 7.413,1047 11.295,1048 -0.982,1049 13.861,1050 -1.762,1051 8.267,1052 10.674,1054 16.641,1055 8.183,1056 12.717,1057 -1,1058 15.66,1059 -2,1060 9.527,1061 12.338,1062 3.619,1063 19.089,1064 9.438,1065 3.115,1066 -1.411,1067 17.475,1068 -2.731,1069 10.48,1070 13.639,1072 21.336,1073 10.398,1074 2.663,1075 10.637,1076 19.303,1077 -3.445,1078 11.65,1079 15.203,1080 4.33,1081 23.728,1082 11.568,1083 2.381,1084 7.871,1085 21.142,1086 4.494,1087 12.692,1088 16.608,1090 26.041,1091 12.617,1092 2.012,1093 7.001,1094 22.989,1095 3.541,1096 13.83,1097 18.13,1098 5.047,1099 28.413,1100 13.757,1101 1.565,1102 5.763,1103 24.844,1104 3.292,1105 14.915,1106 19.585,1108 30.755,1109 14.848,1110 1.33,1111 4.054,1112 26.705,1113 2.781,1114 16.042,1115 21.093,1116 5.769,1117 33.121,1118 15.979,1119 1.158,1120 3.032,1121 28.571,1122 2.312,1123 17.149,1124 22.572,1126 35.475,1127 17.091,1128 3221,1129 5726,1130 14.216,1131 21.727,1132 31.634,1133 31.981,1134 31.571,1135 31.153,1136 31.172,1137 44.006,1138 3.916,1139 88.088,1140 30.406,1141 5.332,1142 5.611,1143 6.263,1144 5.151,1145 5.115,1146 7.494,1147 2.873,1148 17.672,1149 5.112,1150 7.401,1151 1.506,1152 1.523,1153 1.503,1154 1.483,1155 1.484,1156 2.096,1157 0.186,1158 4.195,1159 1.448,1160 4.112,1161 4.134,1162 4.07,1163 4.066,1164 7.475,1165 4.064,1166 3.891,1167 3.952,1168 3.836,1169 3.695,1170 6.351,1171 3.722,1172 3.522,1173 3.549,1174 3.459,1175 3.419,1176 4.969,1177 3.421,1178 3.278,1179 3.282,1180 3.208,1181 3.092,1182 4.84,1183 3.112,1184 2.997,1185 3.061,1186 2.865,1187 2.819,1188 4.298,1189 2.823,1190 2.826,1191 2.879,1192 2.693,1193 2.654,1194 3.823,1195 2.663,1196 2.503,1197 2.588,1198 2.348,1199 2.336,1200 3.639,1201 2.327,1202 2.438,1203 2.514,1204 2.251,1205 2.213,1206 3.352,1207 2.218,1208 0.217,1209 0.172,1210 0.317,1211 0.196,1212 0.148,1213 4.563,1214 0.214,1215 3.611,1216 0.068,1217 6.648,1218 0.507,1219 4.115,1220 0.148,1221 3.115,1222 4.494,1223 1.437,1224 10.637,1225 3.112,1226 2.086,1227 2.07,1228 2.16,1229 2.142,1230 1.328,1231 2.148,1232 1.645,1233 1.599,1234 1.792,1235 1.832,1236 0.975,1237 1.82,1238 1.387,1239 1.337,1240 1.56,1241 1.556,1242 0.614,1243 1.555,1244 1.279,1245 1.208,1246 1.453,1247 1.52,1248 0.426,1249 1.503,1250 1.179,1251 1.167,1252 1.316,1253 1.419,1254 0.35,1255 1.378,1256 0.837,1257 0.799,1258 1.104,1259 1.088,1260 0.177,1261 1.101,1262 0.769,1263 0.712,1264 1.035,1265 0.963,1266 0.011,1267 1.003,1268 0.38,1269 0.319,1270 0.763,1271 0.676,1273 0.705,1274 3.761,1276 5.069,1277 2.398,1278 6.572,1279 4.443,1280 8.173,1281 6.26,1282 9.828,1289 9.147,1290 0.729,1300 21.106,1301 47.957,1302 105.541,1303 134.07,1304 149.58,1305 151.58,1306 151.58,1307 25.49,1308 6.605,1309 55.12,1310 55.12,1311 17,1312 12.111,1313 4.17,1314 3.322,1315 27.853,1316 57,1317 46,1318 0.255,1319 130.637,1320 216.74,1321 310.515,1322 5631,1324 13.242,1325 0.697,1326 0.534,1327 13.242,1328 10.153,1329 9.237,1330 0.44,1331 0.283,1332 5.871,1333 8.922,1334 5.748,1335 4.771,1336 9.237,1337 5.946,1338 8.328,1339 0.287,1340 0.152,1341 8.328,1342 4.401,1343 6.81,1344 0.179,1345 0.082,1346 6.81,1347 3.1,1348 5.869,1349 0.117,1350 0.044,1351 5.869,1352 2.209,1353 4.375,1354 0.075,1355 0.024,1356 4.375,1357 1.418,1358 0.39,1359 57.69,1360 0.265,1361 18.925,1362 0.723,1363 100,1364 303.175,1365 107.953,1366 297.108,1367 400.88,1368 276,1369 117,1370 289.596,1371 124.513,1372 297.365,1373 430.13,1374 278,1375 7.149} {0 CHEMBL422541,1 1.532,2 10.769,3 1.877,4 3.522,5 96.475,6 7.384,7 0.429,8 3.963,9 4.065,10 3.513,11 3.478,12 5.089,13 3.467,14 4.505,15 4.65,16 3.821,17 3.841,18 5.662,19 3.803,20 4.766,21 4.963,22 3.853,23 3.971,24 5.74,25 3.897,26 4.862,27 5.086,28 3.815,29 3.943,30 5.842,31 3.865,32 4.74,33 4.945,34 3.81,35 3.967,36 5.695,37 3.881,38 4.842,39 5.087,40 3.754,41 3.992,42 5.735,43 3.88,44 4.749,45 4.978,46 3.672,47 3.928,48 5.691,49 3.812,50 4.699,51 4.953,52 3.583,53 3.796,54 5.661,55 3.686,56 0.05,57 0.65,58 9.852,59 4.641,60 12.786,61 5.748,62 0.406,63 1.029,64 18.991,65 7.454,66 50.664,67 9.503,68 0.302,69 1.258,70 26.083,71 9.929,72 52.068,73 13.104,74 0.711,75 1.283,76 31.145,77 10.212,78 71.039,79 13.523,80 0.29,81 1.246,82 25.4,83 9.823,84 43.902,85 13.145,86 0.489,87 1.359,88 29.739,89 10.284,90 56.269,91 14.436,92 0.351,93 1.248,94 26.391,95 9.738,96 51.982,97 13.432,98 0.402,99 1.17,100 26.041,101 8.678,102 52.19,103 12.317,104 11,105 36,106 0.262,107 0.598,108 0.784,109 0.868,110 0.904,111 0.918,112 3.304,113 0.929,114 -2.92,115 -2.93,116 -2.83,118 41.7,120 3,121 1,124 1,126 1,127 1,133 2,140 4,141 2,143 4,154 1,163 1,167 1,168 9,169 1,171 1,172 10,175 1,177 1,180 7,181 1,186 8,191 1,194 5,195 1,197 3,198 8,203 1,206 7,207 1,210 5,215 1,218 8,219 1,221 1,222 8,227 1,229 9,230 1,234 7,239 1,242 8,246 1,247 4,248 2,255 6,256 1,258 2,259 3,262 2,264 1,267 4,268 1,270 1224,271 17.88,272 17.88,273 17.88,274 17.88,275 17.88,276 15.96,277 16.608,278 11.189,279 18.102,280 13.886,281 13.886,282 13.886,283 13.886,284 13.886,285 11.192,286 18.423,287 5.385,288 14.244,289 4.053,290 2.084,291 0.99,292 0.5,293 0.292,294 0.208,295 3.991,298 1,299 1,300 1,301 590,302 3.24,306 264.842,313 1.71,314 27.571,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 57,326 280,327 4.219,328 3.597,329 6.543,330 4.052,331 3.082,332 3.61,333 2.341,334 10.36,335 2.986,336 4.012,337 3.585,338 6.088,339 3.72,340 2.727,341 3.518,342 1.902,343 8.858,344 2.707,345 3.567,346 3.11,347 5.242,348 3.254,349 2.259,350 2.742,351 0.869,352 6.385,353 2.236,354 3.518,355 2.407,356 4.659,357 3.212,358 2.218,359 2.701,360 0.22,361 5.183,362 2.189,363 3.176,364 2.133,365 4.49,366 2.808,367 1.837,368 2.323,370 4.601,371 1.78,372 3.06,373 1.939,374 4.115,375 2.608,376 1.634,377 2.183,379 3.674,380 1.59,381 2.833,382 1.862,383 3.638,384 2.446,385 1.479,386 1.901,388 3.147,389 1.423,390 2.5,391 1.465,392 3.508,393 2.138,394 1.169,395 1.5,397 2.709,398 1.129,399 2.5,400 1.313,401 3.476,402 1.958,403 1,404 1.5,406 2.471,407 0.955,408 2.482,409 1.179,410 3.247,411 1.956,412 1,413 1.472,415 2.136,416 0.953,417 2.169,418 1,419 3.247,420 1.912,421 1,422 1.136,424 2.136,425 0.903,426 1.92,427 1,428 3.042,429 1.763,430 0.768,431 0.831,433 1.651,434 0.76,435 1.309,436 0.734,437 2.584,438 1.045,439 0.078,440 0.089,442 0.18,443 0.074,444 0.782,445 0.345,446 2.507,447 0.568,448 -0.407,449 -0.436,451 -0.926,452 -0.391,453 0.75,454 0.091,455 2.167,456 0.386,457 -0.569,458 -0.663,460 -1.381,461 -0.54,462 12.133,463 0.467,464 0.435,465 0.017,466 31,467 1.192,468 14.5,469 0.558,470 16.5,471 0.635,472 21.421,473 0.824,474 28.667,475 0.597,476 22.431,477 0.863,478 6.332,479 0.244,480 6.405,481 0.246,482 0.055,484 0.247,487 0.822,488 1.297,489 0.792,490 1.165,491 0.739,492 1.006,493 0.947,494 1.135,495 1.025,496 1.113,497 0.589,498 1.086,499 1,500 1.167,501 1.007,502 1.18,503 0.893,504 1.113,505 1.301,506 0.76,507 1.044,508 0.819,509 0.837,510 0.877,511 0.887,512 1.151,513 0.984,514 1.141,515 0.601,516 1.097,517 0.858,518 0.874,519 0.975,520 0.882,521 0.633,522 0.935,523 0.85,524 1.1,525 1.034,526 1.074,527 0.799,528 1.092,529 0.88,530 0.92,531 0.958,532 0.912,533 0.834,534 0.937,535 3.5,536 0.099,537 2.222,538 1.063,539 0.756,540 0.785,541 0.403,542 0.172,543 0.18,544 0.149,545 7906,546 23766,547 2.082,548 45.8,549 4,550 9,551 1,552 4,553 1,554 2,556 1,558 1.694,559 2,560 3.399,561 -0.332,562 1,563 1,567 73.532,568 1.532,569 3.501,570 4.595,571 5.085,572 5.293,573 5.377,574 2.921,575 4.162,576 4.661,577 3.579,578 1163.24,579 8.103,580 14861,582 1,584 1,585 268.078,586 1.14,587 4.655,588 0.125,589 0.006,590 0.062,591 0.03,592 0.022,593 0.022,594 0.012,595 0.006,596 0.007,597 0.007,598 0.298,599 0.33,600 1,601 1.55,602 127.984,603 -0.049,604 -0.134,605 0.041,606 -0.057,607 -0.056,608 -0.002,609 0.076,610 -0.051,611 -0.108,612 -0.08,613 0.123,614 -0.119,615 -0.073,616 -0.18,617 -0.059,618 -0.165,619 -0.081,620 -0.118,621 -0.084,622 0.173,623 -0.016,624 0.138,625 -0.04,626 0.082,627 -0.059,628 -0.16,629 -0.049,630 -0.119,631 0.003,632 -0.09,633 -0.055,634 0.11,635 -0.006,636 0.09,637 -0.034,638 0.06,639 -0.078,640 -0.122,641 -0.088,642 -0.073,643 -0.085,644 -0.084,645 -0.054,646 0.058,647 0.025,648 0.04,649 -0.065,650 0.049,651 2.452,652 3.586,653 0.692,654 27.692,655 1.007,656 1.125,657 1.693,658 2.867,659 0.655,660 3.367,661 3.611,662 3.829,663 4.06,664 4.304,665 4.331,666 4.489,667 4.575,668 4.625,669 4.625,670 6.485,671 0.629,672 354.44,673 3.367,674 4.86,675 5.673,676 6.515,677 7.354,678 8.209,679 9.063,680 9.926,681 10.789,682 11.658,683 4.2,693 2,699 8,700 2,704 2,706 12,724 48,726 14,728 28,730 50,731 20,733 10,739 3,740 3,748 1,749 1,751 4,753 13,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,795 2,802 3,818 1,822 2,830 1,831 2,832 3,840 26,845 1,846 4,848 2,850 3,862 8.3,864 1,865 1,866 2,869 13,870 8.183,871 5.917,872 2.817,874 1.921,875 1.275,876 0.925,877 6.616,878 8.895,879 3.611,880 4.06,881 4.472,882 4.922,883 5.389,884 5.314,885 5.648,886 5.92,887 6.2,888 6.482,889 1,890 36,891 9.614,893 4.009,894 7.846,895 18.269,897 14.718,899 2.346,900 61,904 247.193,905 112.884,906 33.571,908 89.828,911 112.884,912 337.021,913 33.571,915 12.196,916 57.217,917 171.393,918 42.561,919 11.771,920 188.338,922 247.193,923 146.455,924 89.828,927 235.422,928 79.599,929 22,930 0.36,931 48.386,932 45.186,933 52.524,935 247.193,936 123.399,937 112.884,940 247.553,941 19.477,942 93.047,944 123.399,945 247.193,946 123.399,947 112.884,949 0.556,950 0.306,951 0.167,952 0.095,953 15,954 6,955 0.14,956 7,958 1,959 3.885,960 206.476,962 18,963 122.211,968 18.403,969 9.347,970 5.301,972 123.399,973 14.715,974 8.334,978 1.894,980 42.683,981 483.476,982 36,987 10.586,989 3.912,991 -0.786,994 48.349,995 53.986,996 0.274,997 0.627,998 0.823,999 0.91,1000 0.948,1001 0.963,1002 4.804,1003 1.169,1004 5.602,1005 3.147,1006 4.29,1007 4.745,1008 2.863,1009 6.333,1010 4.239,1011 5.934,1012 1,1013 7.101,1014 2.709,1015 3.611,1016 4.06,1017 2.521,1018 7.111,1019 3.571,1020 7.173,1021 1,1022 8.709,1023 2.471,1024 5.784,1025 6.681,1026 4.05,1027 10.228,1028 5.69,1029 8.441,1030 1,1031 10.389,1032 2.136,1033 5.994,1034 6.791,1035 4.358,1036 11.935,1037 5.903,1038 9.742,1039 0.768,1040 12.119,1041 2.136,1042 7.576,1043 8.886,1044 5.485,1045 14.535,1046 7.437,1047 11.065,1048 0.078,1049 13.883,1050 1.651,1051 8.234,1052 9.408,1053 6.075,1054 16.603,1055 8.084,1056 12.407,1057 -0.407,1058 15.671,1059 0.18,1060 9.547,1061 11.229,1062 7.037,1063 19.025,1064 9.356,1065 3.082,1066 -0.569,1067 17.478,1068 -0.926,1069 10.435,1070 11.997,1071 7.759,1072 21.24,1073 10.222,1074 2.727,1075 10.36,1076 19.297,1077 -1.381,1078 11.627,1079 13.65,1080 8.65,1081 23.597,1082 11.377,1083 2.259,1084 8.858,1085 21.126,1086 3.61,1087 12.631,1088 14.576,1089 9.435,1090 25.873,1091 12.352,1092 2.218,1093 6.385,1094 22.963,1095 3.518,1096 13.771,1097 16.116,1098 10.298,1099 28.209,1100 13.458,1101 1.837,1102 5.183,1103 24.805,1104 2.742,1105 14.831,1106 17.148,1107 11.114,1108 30.512,1109 14.486,1110 1.634,1111 4.601,1112 26.652,1113 2.701,1114 15.953,1115 18.609,1116 11.966,1117 32.842,1118 15.573,1119 1.479,1120 3.674,1121 28.502,1122 2.323,1123 17.04,1124 19.714,1125 12.798,1126 35.159,1127 16.628,1128 7779,1129 13556,1130 19.068,1131 31.443,1132 41.101,1133 41.271,1134 40.9,1135 40.488,1136 40.504,1137 51.01,1138 10.663,1139 106.981,1140 39.367,1141 5.219,1142 5.597,1143 6.345,1144 5.124,1145 5.082,1146 6.61,1147 3.925,1148 17.108,1149 4.946,1150 9.929,1151 1.468,1152 1.474,1153 1.461,1154 1.446,1155 1.447,1156 1.822,1157 0.381,1158 3.821,1159 1.406,1160 3.984,1161 4.013,1162 3.918,1163 3.864,1164 7.474,1165 3.871,1166 3.843,1167 3.884,1168 3.782,1169 3.744,1170 6.351,1171 3.748,1172 3.753,1173 3.798,1174 3.646,1175 3.641,1176 4.972,1177 3.634,1178 3.611,1179 3.648,1180 3.51,1181 3.437,1182 4.88,1183 3.444,1184 3.364,1185 3.387,1186 3.271,1187 3.142,1188 4.676,1189 3.165,1190 3.077,1191 3.117,1192 2.955,1193 2.904,1194 4.369,1195 2.908,1196 2.963,1197 3.013,1198 2.826,1199 2.794,1200 4.066,1201 2.79,1202 2.845,1203 2.911,1204 2.648,1205 2.59,1206 3.832,1207 2.6,1208 0.151,1209 0.128,1210 0.234,1211 0.145,1212 0.11,1213 4.219,1214 0.129,1215 3.597,1216 0.084,1217 6.543,1218 0.37,1219 4.052,1220 0.107,1221 3.082,1222 3.61,1223 2.341,1224 10.36,1225 2.986,1226 1.915,1227 1.887,1228 2.048,1229 2.06,1230 1.359,1231 2.054,1232 1.822,1233 1.786,1234 1.943,1235 1.947,1236 1.137,1237 1.948,1238 1.747,1239 1.703,1240 1.924,1241 1.892,1242 1.014,1243 1.906,1244 1.566,1245 1.524,1246 1.78,1247 1.768,1248 0.935,1249 1.769,1250 1.278,1251 1.247,1252 1.505,1253 1.533,1254 0.651,1255 1.516,1256 1.031,1257 0.99,1258 1.263,1259 1.27,1260 0.425,1261 1.262,1262 0.94,1263 0.888,1264 1.215,1265 1.164,1266 0.397,1267 1.179,1268 0.797,1269 0.734,1270 1.135,1271 1.095,1272 0.272,1273 1.113,1274 4.043,1276 5.303,1278 6.765,1280 8.322,1282 9.933,1289 8.704,1290 1.963,1292 12.149,1294 -0.471,1300 30.17,1301 73.532,1302 168.05,1303 220.568,1304 244.078,1305 254.078,1306 258.078,1307 49.486,1308 6.974,1309 81.54,1310 81.54,1311 18,1312 12.204,1313 3.907,1314 3.17,1315 44.172,1316 94,1317 118,1318 0.217,1319 186.591,1320 331.72,1321 447.043,1322 8974,1324 18.192,1325 0.7,1326 0.554,1327 18.192,1328 14.4,1329 12.737,1330 0.455,1331 0.31,1332 8.543,1333 12.207,1334 8.406,1335 6.942,1336 12.737,1337 8.675,1338 10.825,1339 0.301,1340 0.172,1341 10.825,1342 6.194,1343 8.517,1344 0.189,1345 0.095,1346 8.517,1347 4.26,1348 6.97,1349 0.122,1350 0.052,1351 6.97,1352 2.954,1353 5.784,1354 0.079,1355 0.028,1356 5.784,1357 2.045,1358 0.34,1359 80.303,1360 0.229,1361 25.322,1362 0.6,1363 128,1364 414.647,1365 143.175,1366 388.367,1367 513.38,1368 364,1369 145,1370 352.892,1371 159.625,1372 354.258,1373 515,1374 332,1375 6.658} {0 CHEMBL42263,1 1.426,2 15.857,3 5.714,4 32.651,5 160.132,6 7.237,7 0.4,8 4.443,9 4.542,10 3.961,11 3.985,12 5.58,13 3.96,14 4.976,15 5.12,16 4.287,17 4.368,18 6.154,19 4.31,20 5.28,21 5.481,22 4.357,23 4.525,24 6.278,25 4.439,26 5.369,27 5.581,28 4.384,29 4.55,30 6.387,31 4.464,32 5.352,33 5.551,34 4.441,35 4.621,36 6.34,37 4.533,38 5.476,39 5.696,40 4.46,41 4.68,42 6.463,43 4.577,44 5.476,45 5.701,46 4.435,47 4.668,48 6.427,49 4.56,50 5.459,51 5.683,52 4.441,53 4.622,54 6.448,55 4.528,56 0.081,57 1.005,58 16.569,59 8.04,60 23.193,61 9.84,62 0.495,63 1.634,64 30.459,65 13.228,66 82.318,67 16.874,68 0.438,69 2.113,70 44.077,71 17.609,72 92.791,73 23.123,74 0.895,75 2.245,76 50.135,77 18.403,78 117.518,79 24.177,80 0.446,81 2.317,82 46.903,83 18.936,84 86.977,85 25.021,86 0.738,87 2.594,88 54.805,89 20.697,90 115.794,91 27.91,92 0.608,93 2.581,94 54.841,95 20.881,96 102.361,97 28.226,98 0.715,99 2.5,100 54.612,101 20.011,102 105.374,103 26.859,104 50,105 59,106 0.217,107 0.55,108 0.745,109 0.872,110 0.909,111 0.913,112 3.765,113 0.951,114 -4.95,115 -4.85,116 -4.55,118 43,120 7,121 1,124 1,126 1,127 1,133 3,134 1,140 10,141 4,142 1,143 2,154 2,163 2,167 2,168 24,169 2,171 1,172 9,175 2,177 4,180 26,181 2,186 9,191 4,194 24,195 2,197 2,198 11,201 1,203 4,206 24,207 2,210 11,215 3,218 25,219 2,222 15,225 1,227 4,229 24,230 2,234 15,239 4,242 22,243 2,247 12,248 2,250 1,252 4,255 20,256 4,258 2,259 10,260 1,262 2,264 6,267 21,268 4,270 4168,271 28.501,272 28.501,273 28.501,274 28.501,275 28.501,276 25.439,277 22.847,278 17.61,279 28.688,280 22.285,281 22.285,282 22.285,283 22.285,284 22.285,285 17.84,286 20.252,287 8.44,288 22.612,289 4.878,290 2.689,291 1.412,292 0.577,293 0.329,294 0.304,295 4.46,300 1,301 1392,302 4.796,306 613.602,313 2.299,314 51.205,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 91.5,326 666,327 4.407,328 3.609,329 6.682,330 4.119,331 3.146,332 3.997,333 2.341,334 10.791,335 3.067,336 4.323,337 3.597,338 6.516,339 4.023,340 3.029,341 3.853,342 2.341,343 10.254,344 3,345 4.033,346 3.596,347 6.118,348 3.734,349 2.743,350 3.531,351 1.902,352 8.962,353 2.717,354 3.68,355 3.214,356 5.659,357 3.414,358 2.436,359 2.966,360 0.869,361 7.393,362 2.378,363 3.561,364 3.001,365 5.231,366 3.24,367 2.235,368 2.752,369 0.22,370 6.337,371 2.222,372 3.55,373 2.613,374 4.66,375 3.238,376 2.233,377 2.711,379 5.184,380 2.22,381 3.518,382 2.271,383 4.659,384 3.165,385 2.17,386 2.706,388 5.184,389 2.16,390 3.162,391 2.159,392 4.566,393 2.761,394 1.774,395 2.314,397 4.556,398 1.749,399 3.086,400 2.017,401 4.41,402 2.677,403 1.696,404 2.192,406 4.252,407 1.659,408 2.87,409 1.938,410 4.065,411 2.535,412 1.55,413 2.021,415 3.58,416 1.524,417 2.811,418 1.74,419 3.811,420 2.468,421 1.484,422 1.891,424 3.171,425 1.454,426 2.759,427 1.535,428 3.636,429 2.391,430 1.414,431 1.826,433 3.085,434 1.374,435 2.709,436 1.487,437 3.629,438 2.322,439 1.336,440 1.744,442 3.032,443 1.314,444 2.5,445 1.37,446 3.574,447 2.071,448 1.12,449 1.5,451 2.58,452 1.062,453 2.484,454 1.307,455 3.487,456 2,457 1,458 1.475,460 2.525,461 1,462 19.733,463 0.47,464 0.839,465 0.02,466 49.25,467 1.173,468 24,469 0.571,470 25.25,471 0.601,472 43.216,473 1.029,474 46.267,475 0.586,476 45.026,477 1.072,478 9.855,479 0.235,480 10.564,481 0.252,482 0.084,484 0.279,487 0.833,488 1.124,489 0.841,490 1.071,491 0.781,492 0.977,493 0.706,494 1.145,495 0.966,496 1.143,497 0.476,498 1.109,499 0.915,500 1.086,501 0.966,502 1.073,503 0.854,504 1.038,505 1.084,506 0.889,507 1.004,508 0.893,509 0.809,510 0.928,511 0.855,512 1.121,513 0.98,514 1.087,515 0.69,516 1.063,517 0.878,518 1.021,519 1.011,520 0.999,521 0.709,522 1.02,523 0.871,524 1.056,525 0.997,526 1.032,527 0.631,528 1.034,529 0.991,530 0.994,531 0.982,532 0.972,533 0.7,534 0.971,535 6.5,536 0.396,537 4,538 2.25,539 1.569,540 1.285,541 0.908,542 0.514,543 0.571,544 0.503,545 28965,546 84438,547 2.048,548 46.8,549 10,550 16,551 1,552 2,553 3,554 4,556 1,558 1.817,559 1.938,560 3.896,561 0.677,567 112.624,568 1.426,569 3.615,570 4.892,571 5.726,572 5.975,573 6,574 3.354,575 5.059,576 5.354,577 4.094,578 3525.02,579 9.504,580 64715.7,585 497.999,586 1.3,587 5.333,588 0.144,589 0.007,590 0.068,591 0.036,592 0.025,593 0.019,594 0.013,595 0.008,596 0.009,597 0.008,598 0.337,599 0.17,600 0.75,601 1.749,602 241.718,603 -0.068,604 0.015,605 0.014,606 0.041,607 -0.079,608 0.042,609 0.141,610 -0.062,611 -0.061,612 -0.082,613 0.164,614 -0.105,615 -0.058,616 -0.078,617 -0.016,618 -0.053,619 -0.069,620 -0.032,621 -0.042,622 0.105,623 -0.011,624 0.093,625 -0.045,626 0.052,627 -0.058,628 -0.092,629 -0.044,630 -0.064,631 -0.049,632 -0.054,633 -0.044,634 0.001,635 -0.051,636 -0.006,637 -0.039,638 -0.024,639 -0.064,640 -0.044,641 -0.038,642 -0.036,643 -0.037,644 -0.032,645 -0.065,646 0.013,648 0.008,649 -0.039,650 0.016,651 2.502,652 4.646,653 0.571,654 62.975,655 1.004,656 1.119,657 3.717,658 13.813,659 0.657,660 3.829,661 4.094,662 4.317,663 4.564,664 4.812,665 4.89,666 5.069,667 5.22,668 5.352,669 5.46,670 9.104,671 0.627,672 571.72,673 3.829,674 5.342,675 6.163,676 7.017,677 7.864,678 8.731,679 9.593,680 10.468,681 11.34,682 12.22,683 1.3,693 1,699 12,700 1,704 5,706 18,721 1,724 79,726 22,727 2,728 45,730 82,731 34,733 17,734 3,735 9,736 2,739 4,740 4,748 1,749 1,751 8,753 23,754 11,755 1,756 4,761 2,763 3,765 3,772 37,773 8,774 3,775 8,779 1,784 1,785 7,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 42,845 3,846 8,848 2,850 3,862 8.9,864 3,865 2,866 2,869 21.667,870 13.467,871 9.5,872 4.804,874 2.994,875 1.364,876 0.918,877 11.894,878 11.209,879 4.078,880 4.57,881 5.029,882 5.53,883 6.036,884 6.166,885 6.558,886 6.881,887 7.186,888 7.497,889 0.909,890 62,891 15.615,893 6.608,894 7.913,895 29.56,897 24.075,899 2.413,900 101.333,904 400.217,905 181.727,906 16.786,908 200.34,911 181.727,912 600.557,913 16.786,915 22.334,916 123.551,917 242.487,918 34.023,919 11.771,920 364.904,922 400.217,923 198.513,924 200.34,927 388.446,928 190.111,929 22,930 0.36,931 40.429,932 112.51,933 45.214,935 400.217,936 217.125,937 181.727,940 400.577,941 40.082,942 141.286,944 217.125,945 400.217,946 217.125,947 181.727,949 0.562,950 0.309,951 0.167,952 0.094,953 23,954 11,955 0.171,956 14,958 1,959 5.079,960 409.88,962 24,963 222.477,968 31.176,969 16.023,970 9.378,972 217.125,973 22.615,974 4.505,978 3.488,980 128.05,981 799.07,982 58,987 21.723,989 5.927,991 -0.624,994 79.298,995 88.438,996 0.226,997 0.573,998 0.776,999 0.908,1000 0.948,1001 0.952,1002 5.291,1003 1.774,1004 6.111,1005 5.184,1006 4.779,1007 5.257,1008 3.261,1009 6.87,1010 4.747,1011 6.45,1012 1.696,1013 7.632,1014 4.556,1015 4.205,1016 4.808,1017 3.038,1018 7.711,1019 4.161,1020 7.717,1021 1.55,1022 9.261,1023 4.252,1024 6.304,1025 7.284,1026 4.544,1027 10.831,1028 6.244,1029 9.015,1030 1.484,1031 10.96,1032 3.58,1033 6.594,1034 7.664,1035 4.929,1036 12.578,1037 6.518,1038 10.348,1039 1.414,1040 12.705,1041 3.171,1042 8.128,1043 9.608,1044 6.044,1045 15.2,1046 8.036,1047 11.705,1048 1.336,1049 14.485,1050 3.085,1051 8.844,1052 10.412,1053 6.678,1054 17.303,1055 8.731,1056 13.082,1057 1.12,1058 16.288,1059 3.032,1060 10.134,1061 12.1,1062 7.64,1063 19.753,1064 10.004,1065 3.146,1066 1,1067 18.109,1068 2.58,1069 11.062,1070 13.14,1071 8.387,1072 21.999,1073 10.91,1074 3.029,1075 10.791,1076 19.942,1077 2.525,1078 12.247,1079 14.69,1080 9.283,1081 24.387,1082 12.078,1083 2.743,1084 10.254,1085 21.786,1086 3.997,1087 13.278,1088 15.865,1089 10.083,1090 26.695,1091 13.087,1092 2.436,1093 8.962,1094 23.637,1095 3.853,1096 14.422,1097 17.337,1098 10.951,1099 29.061,1100 14.212,1101 2.235,1102 7.393,1103 25.494,1104 3.531,1105 15.502,1106 18.592,1107 11.776,1108 31.396,1109 15.27,1110 2.233,1111 6.337,1112 27.356,1113 2.966,1114 16.632,1115 20.02,1116 12.633,1117 33.756,1118 16.38,1119 2.17,1120 5.184,1121 29.221,1122 2.752,1123 17.736,1124 21.321,1125 13.47,1126 36.104,1127 17.462,1128 28369,1129 48529,1130 30.107,1131 51.892,1132 66.367,1133 66.962,1134 66.864,1135 65.456,1136 65.4,1137 82.846,1138 15.345,1139 176.524,1140 64.253,1141 5.407,1142 5.609,1143 6.484,1144 5.192,1145 5.146,1146 6.997,1147 3.925,1148 17.872,1149 5.067,1150 21.362,1151 1.475,1152 1.488,1153 1.486,1154 1.455,1155 1.453,1156 1.841,1157 0.341,1158 3.923,1159 1.428,1160 4.042,1161 4.066,1162 3.985,1163 3.966,1164 7.477,1165 3.966,1166 3.941,1167 3.965,1168 3.881,1169 3.873,1170 7.472,1171 3.872,1172 3.817,1173 3.848,1174 3.753,1175 3.732,1176 6.469,1177 3.733,1178 3.762,1179 3.803,1180 3.656,1181 3.66,1182 6.352,1183 3.651,1184 3.73,1185 3.778,1186 3.604,1187 3.594,1188 6.35,1189 3.585,1190 3.62,1191 3.653,1192 3.52,1193 3.454,1194 4.956,1195 3.46,1196 3.468,1197 3.5,1198 3.369,1199 3.316,1200 4.768,1201 3.32,1202 3.36,1203 3.383,1204 3.263,1205 3.14,1206 4.71,1207 3.162,1208 0.098,1209 0.08,1210 0.148,1211 0.092,1212 0.07,1213 4.407,1214 0.089,1215 3.609,1216 0.052,1217 6.682,1218 0.24,1219 4.119,1220 0.068,1221 3.146,1222 3.997,1223 2.341,1224 10.791,1225 3.067,1226 1.983,1227 1.961,1228 2.086,1229 2.079,1230 1.366,1231 2.078,1232 1.931,1233 1.909,1234 2.054,1235 2.028,1236 1.326,1237 2.038,1238 1.804,1239 1.775,1240 1.958,1241 1.914,1242 1.161,1243 1.922,1244 1.761,1245 1.719,1246 1.949,1247 1.894,1248 1.14,1249 1.914,1250 1.722,1251 1.671,1252 1.907,1253 1.889,1254 1.018,1255 1.903,1256 1.581,1257 1.542,1258 1.794,1259 1.773,1260 0.994,1261 1.776,1262 1.429,1263 1.391,1264 1.645,1265 1.626,1266 0.859,1267 1.627,1268 1.276,1269 1.244,1270 1.504,1271 1.529,1272 0.664,1273 1.513,1274 4.511,1276 5.79,1278 7.261,1280 8.827,1282 10.45,1289 28.491,1290 3.759,1292 12.69,1294 -1.24,1300 49.507,1301 112.624,1302 285.591,1303 386.441,1304 452.389,1305 471.999,1306 473.999,1307 116.902,1308 8.216,1309 126.18,1310 126.18,1311 24,1312 12.758,1313 4.524,1314 3.807,1315 78.749,1316 225,1317 258,1318 0.166,1319 304.048,1320 552.83,1321 733.638,1322 44487,1324 29.736,1325 0.708,1326 0.559,1327 29.736,1328 23.471,1329 20.419,1330 0.454,1331 0.317,1332 14.106,1333 19.751,1334 13.855,1335 11.463,1336 20.419,1337 14.265,1338 17.735,1339 0.301,1340 0.175,1341 17.735,1342 10.311,1343 13.775,1344 0.186,1345 0.097,1346 13.775,1347 7.154,1348 11.342,1349 0.119,1350 0.053,1351 11.342,1352 5.02,1353 9.375,1354 0.077,1355 0.029,1356 9.375,1357 3.52,1358 0.264,1359 127.624,1360 0.182,1361 37.558,1362 0.449,1363 208,1364 641.036,1365 228.319,1366 608.377,1367 802.74,1368 566,1369 237,1370 555.476,1371 254.944,1372 560.259,1373 814.28,1374 527,1375 5} {0 CHEMBL422719,1 1.646,2 11.357,3 4.356,4 18.976,5 108.242,6 8.619,7 0.4,8 3.987,9 4.073,10 3.664,11 3.562,12 5.12,13 3.539,14 4.533,15 4.659,16 4.041,17 3.947,18 5.721,19 3.897,20 4.814,21 4.99,22 4.214,23 4.102,24 5.874,25 4.014,26 4.892,27 5.099,28 3.996,29 4.037,30 5.89,31 3.95,32 4.789,33 4.979,34 4.026,35 4.034,36 5.805,37 3.95,38 4.865,39 5.09,40 4.027,41 4.076,42 5.82,43 3.965,44 4.801,45 5.013,46 3.935,47 4.055,48 5.765,49 3.927,50 4.747,51 4.968,52 3.931,53 3.97,54 5.756,55 3.843,56 0.094,57 0.612,58 8.118,59 4.704,60 14.507,61 5.506,62 0.457,63 0.992,64 17.479,65 8.056,66 52.336,67 9.489,68 0.51,69 1.248,70 33.391,71 11.394,72 65.858,73 13.692,74 0.785,75 1.299,76 35.791,77 11.816,78 77.251,79 14.102,80 0.589,81 1.248,82 29.563,83 10.845,84 58.406,85 13.386,86 0.698,87 1.358,88 33.588,89 11.694,90 68.362,91 15.105,92 0.512,93 1.248,94 31.735,95 11.408,96 63.665,97 14.431,98 0.519,99 1.153,100 33.021,101 10.763,102 60.986,103 13.596,104 23,105 40,106 0.28,107 0.625,108 0.812,109 0.906,110 0.927,111 0.927,112 3.374,113 0.979,114 -4.89,115 -4.79,116 -4.5,118 42.9,120 3,121 1,124 1,126 1,127 1,133 2,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 8,175 1,177 1,180 10,181 1,186 9,191 1,194 11,195 1,197 1,198 8,203 1,206 9,207 1,210 7,215 1,218 10,219 1,221 1,222 8,227 1,229 11,230 1,234 6,239 1,242 12,247 2,248 2,255 11,256 1,258 2,259 3,262 2,264 1,267 9,268 1,270 1478,271 18.828,272 18.828,273 18.828,274 18.828,275 18.828,276 16.83,277 18.775,278 11.444,279 19.219,280 14.82,281 14.82,282 14.82,283 14.82,284 14.82,285 11.983,286 20.3,287 5.481,288 15.601,289 3.969,290 1.938,291 0.839,292 0.286,293 0.163,294 0.163,295 4.058,297 2,299 1,300 1,301 664,302 3.391,306 288.71,313 1.883,314 33.358,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 61.167,326 318,327 4.29,328 3.598,329 6.545,330 4.061,331 3.092,332 3.9,333 2.341,334 10.368,335 2.991,336 4.155,337 3.596,338 6.168,339 3.812,340 2.864,341 3.581,342 1.902,343 9.107,344 2.742,345 3.747,346 3.308,347 5.789,348 3.405,349 2.495,350 3.031,351 0.869,352 7.693,353 2.24,354 3.563,355 3.059,356 5.241,357 3.25,358 2.252,359 2.729,360 0.22,361 6.378,362 2.203,363 3.48,364 2.397,365 4.659,366 3.196,367 2.208,368 2.656,370 5.183,371 2.102,372 3.111,373 2.157,374 4.414,375 2.647,376 1.671,377 2.201,379 4.246,380 1.621,381 2.849,382 2.048,383 4.108,384 2.454,385 1.5,386 1.953,388 3.622,389 1.425,390 2.82,391 1.869,392 4.028,393 2.378,394 1.414,395 1.929,397 3.495,398 1.334,399 2.627,400 1.789,401 3.633,402 2.303,403 1.402,404 1.633,406 3.133,407 1.193,408 2.5,409 1.397,410 3.48,411 1.958,412 1,413 1.5,415 2.476,416 0.955,417 2.17,418 1.217,419 3.247,420 1.913,421 1,422 1.136,424 2.136,425 0.903,426 1.925,427 1,428 3.065,429 1.774,430 0.783,431 0.84,433 1.676,434 0.769,435 1.428,436 0.783,437 2.741,438 1.082,439 0.189,440 0.221,442 0.423,443 0.142,444 1.23,445 0.692,446 2.545,447 0.838,453 0.775,454 0.344,455 2.376,456 0.539,457 -0.423,458 -0.453,460 -0.977,461 -0.379,462 13.662,463 0.488,464 0.63,465 0.023,466 32,467 1.143,468 14.5,469 0.518,470 17.5,471 0.625,472 26.333,473 0.94,474 30.738,475 0.627,476 23.739,477 0.848,478 6.411,479 0.229,480 7.13,481 0.255,482 0.153,484 0.293,487 0.757,488 1.198,489 0.576,490 0.955,491 0.711,492 0.897,493 0.854,494 1.127,495 0.716,496 0.951,497 0.553,498 0.993,499 0.953,500 1.149,501 0.813,502 1.047,503 0.855,504 1.049,505 1.265,506 0.851,507 0.864,508 0.829,509 0.85,510 0.893,511 0.811,512 1.109,513 0.758,514 1.062,515 0.59,516 1.051,517 0.662,518 0.91,519 0.677,520 0.874,521 0.556,522 0.925,523 0.845,524 1.039,525 0.896,526 0.973,527 0.815,528 1.041,529 0.914,530 0.981,531 0.989,532 0.935,533 0.873,534 0.966,535 5,536 0.169,537 3.111,538 1.313,539 1.218,540 0.951,541 0.504,542 0.333,543 0.348,544 0.248,545 9460,546 33968,547 2.034,548 42.9,549 4,550 10,551 1,552 2,553 1,554 2,556 1,558 1.714,559 1.909,560 3.473,561 -0.323,563 1,567 80.643,568 1.646,569 3.677,570 4.776,571 5.329,572 5.451,573 5.451,574 2.985,575 4.209,576 4.769,577 3.656,578 1382.13,579 8.319,580 18608.8,582 1,584 1,585 275.121,586 1.379,587 4.74,588 0.167,589 0.008,590 0.078,591 0.032,592 0.033,593 0.025,594 0.014,595 0.01,596 0.011,597 0.009,598 0.386,599 0.17,600 1,601 1.603,602 141.319,603 -0.054,604 -0.068,605 0.008,606 -0.018,607 -0.067,608 0.011,609 0.063,610 -0.057,611 -0.02,612 -0.017,613 0.126,614 -0.079,615 -0.043,616 -0.158,617 0.065,618 -0.077,619 -0.039,620 -0.076,621 -0.164,622 0.111,623 -0.031,624 0.113,625 -0.077,626 0.07,627 0.038,628 -0.106,630 -0.119,631 0.032,632 -0.08,633 0.092,634 0.101,635 0.093,636 0.064,637 0.039,638 0.07,639 -0.082,640 -0.055,641 -0.042,642 -0.005,643 -0.101,644 -0.037,645 -0.085,646 -0.004,647 -0.003,648 0.048,649 -0.094,650 0.045,651 2.466,652 3.618,653 0.643,654 31.27,655 1.016,656 1.118,657 3.658,658 13.379,659 0.692,660 3.434,661 3.714,662 3.932,663 4.143,664 4.407,665 4.466,666 4.595,667 4.71,668 4.82,669 4.852,670 6.809,671 0.66,672 422.33,673 3.434,674 4.949,675 5.771,676 6.624,677 7.473,678 8.335,679 9.197,680 10.067,681 10.936,682 11.81,683 2,693 1,699 7,700 1,704 4,706 12,723 2,724 49,726 14,727 1,728 30,730 51,731 21,733 11,734 3,735 3,739 3,740 3,741 2,748 1,749 1,751 4,753 14,754 7,755 1,756 2,761 1,763 2,765 1,769 1,772 21,773 5,774 1,775 7,776 2,779 1,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,837 2,840 28,845 1,846 4,848 2,850 3,861 2,862 8.2,864 1,865 1,866 2,869 14.667,870 8.436,871 6.278,872 2.873,874 1.957,875 1.273,876 0.93,877 7.598,878 9.12,879 3.664,880 4.159,881 4.585,882 5.03,883 5.523,884 5.547,885 5.773,886 6.037,887 6.357,888 6.664,889 0.875,890 41,891 10.35,893 4.366,894 7.913,895 19.52,897 15.861,899 2.413,900 67.556,903 1,904 235.422,905 111.266,906 16.786,907 78.297,908 89.828,911 111.266,912 403.547,913 16.786,915 12.196,916 66.693,917 131.066,918 31.467,919 11.771,920 200.109,921 78.297,922 235.422,923 128.052,924 89.828,925 78.297,927 223.651,928 79.599,929 22,930 0.36,931 30.291,932 61.663,933 114.035,935 235.422,936 106.614,937 189.564,940 235.782,941 26.478,942 84.429,944 184.911,945 235.422,946 106.614,947 189.564,949 0.57,950 0.316,951 0.161,952 0.093,953 17,954 8,955 0.137,956 7,958 1,959 3.979,960 231.181,962 18,963 134.606,968 20.968,969 10.147,970 5.871,972 106.614,973 12.69,974 4.204,978 2.709,980 42.683,981 531.599,982 38,987 10.618,989 3.878,991 -0.799,994 49.778,995 54.791,996 0.293,997 0.655,998 0.851,999 0.949,1000 0.971,1001 0.971,1002 4.883,1003 1.414,1004 5.733,1005 3.622,1006 4.394,1007 4.844,1008 2.863,1009 6.494,1010 4.295,1011 6.044,1012 1.402,1013 7.262,1014 3.495,1015 3.892,1016 4.443,1017 2.521,1018 7.322,1019 3.698,1020 7.312,1021 1,1022 8.895,1023 3.133,1024 5.932,1025 6.857,1026 4.05,1027 10.41,1028 5.758,1029 8.608,1030 1,1031 10.591,1032 2.476,1033 6.256,1034 7.241,1035 4.358,1036 12.097,1037 5.994,1038 9.936,1039 0.783,1040 12.328,1041 2.136,1042 7.757,1043 9.154,1044 5.485,1045 14.693,1046 7.507,1047 11.284,1048 0.189,1049 14.094,1050 1.676,1051 8.477,1052 9.932,1053 6.075,1054 16.732,1055 8.157,1056 12.649,1058 15.881,1059 0.423,1060 9.747,1061 11.608,1062 7.037,1063 19.151,1064 9.423,1065 3.092,1066 -0.423,1067 17.682,1069 10.665,1070 12.608,1071 7.759,1072 21.344,1073 10.287,1074 2.864,1075 10.368,1076 19.495,1077 -0.977,1078 11.835,1079 14.153,1080 8.65,1081 23.697,1082 11.442,1083 2.495,1084 9.107,1085 21.316,1086 3.9,1087 12.85,1088 15.285,1089 9.435,1090 25.96,1091 12.414,1092 2.252,1093 7.693,1094 23.145,1095 3.581,1096 13.979,1097 16.752,1098 10.298,1099 28.291,1100 13.521,1101 2.208,1102 6.378,1103 24.979,1104 3.031,1105 15.042,1106 17.966,1107 11.114,1108 30.586,1109 14.548,1110 1.671,1111 5.183,1112 26.817,1113 2.729,1114 16.157,1115 19.387,1116 11.966,1117 32.911,1118 15.636,1119 1.5,1120 4.246,1121 28.659,1122 2.656,1123 17.244,1124 20.652,1125 12.798,1126 35.222,1127 16.69,1128 9382,1129 17901,1130 19.879,1131 33.915,1132 44.396,1133 45.481,1134 44.901,1135 44.025,1136 43.74,1137 54.618,1138 10.663,1139 119.872,1140 41.243,1141 5.29,1142 5.598,1143 6.347,1144 5.133,1145 5.092,1146 6.9,1147 3.925,1148 17.117,1149 4.991,1150 14.433,1151 1.48,1152 1.516,1153 1.497,1154 1.468,1155 1.458,1156 1.821,1157 0.355,1158 3.996,1159 1.375,1160 3.995,1161 4.017,1162 4.121,1163 3.906,1164 7.474,1165 3.904,1166 3.872,1167 3.896,1168 3.876,1169 3.808,1170 6.351,1171 3.803,1172 3.754,1173 3.798,1174 3.656,1175 3.643,1176 5.056,1177 3.636,1178 3.617,1179 3.65,1180 3.556,1181 3.444,1182 4.917,1183 3.451,1184 3.371,1185 3.389,1186 3.404,1187 3.16,1188 4.734,1189 3.18,1190 3.099,1191 3.123,1192 3.364,1193 2.971,1194 4.49,1195 2.965,1196 2.963,1197 3.014,1198 3.184,1199 2.794,1200 4.374,1201 2.791,1202 2.878,1203 2.922,1204 2.827,1205 2.79,1206 4.157,1207 2.763,1208 0.143,1209 0.12,1210 0.218,1211 0.135,1212 0.103,1213 4.29,1214 0.13,1215 3.598,1216 0.078,1217 6.545,1218 0.346,1219 4.061,1220 0.1,1221 3.092,1222 3.9,1223 2.341,1224 10.368,1225 2.991,1226 1.927,1227 1.908,1228 2.049,1229 2.058,1230 1.36,1231 2.054,1232 1.859,1233 1.835,1234 1.941,1235 1.935,1236 1.142,1237 1.947,1238 1.748,1239 1.704,1240 1.923,1241 1.892,1242 1.099,1243 1.906,1244 1.569,1245 1.529,1246 1.779,1247 1.765,1248 0.935,1249 1.769,1250 1.282,1251 1.254,1252 1.501,1253 1.53,1254 0.657,1255 1.514,1256 1.034,1257 1.011,1258 1.221,1259 1.259,1260 0.427,1261 1.248,1262 0.94,1263 0.888,1264 1.215,1265 1.164,1266 0.397,1267 1.179,1268 0.867,1269 0.824,1270 1.126,1271 1.08,1272 0.269,1273 1.1,1274 4.111,1276 5.398,1278 6.88,1280 8.456,1282 10.083,1285 12.135,1289 8.728,1290 1.841,1292 12.215,1294 -0.664,1300 32.33,1301 80.643,1302 180.173,1303 234.001,1304 261.121,1305 267.121,1306 267.121,1307 61.752,1308 7.163,1309 68.65,1310 68.65,1311 18,1312 12.352,1313 3.907,1314 3.17,1315 49.508,1316 107,1317 134,1318 0.215,1319 206.055,1320 368.44,1321 494.535,1322 11230,1323 4.1,1324 19.933,1325 0.712,1326 0.594,1327 20.933,1328 16.644,1329 13.542,1330 0.451,1331 0.326,1332 8.976,1333 12.518,1334 8.755,1335 7.186,1336 14.119,1337 9.786,1338 11.955,1339 0.299,1340 0.185,1341 12.696,1342 7.396,1343 9.506,1344 0.19,1345 0.105,1346 10.42,1347 5.258,1348 7.382,1349 0.119,1350 0.055,1351 7.768,1352 3.405,1353 6.206,1354 0.077,1355 0.03,1356 6.603,1357 2.419,1358 0.337,1359 90.981,1360 0.224,1361 26.906,1362 0.593,1363 140,1364 463.408,1365 184.826,1366 495.346,1367 635.38,1368 460,1369 160,1370 393.505,1371 200.356,1372 414.905,1373 607.66,1374 389,1375 7.377} {0 CHEMBL422793,1 1.874,2 10.577,3 3.172,4 10.064,5 87.747,6 8.747,7 0.444,8 3.851,9 3.949,10 3.512,11 3.318,12 5.161,13 3.352,14 4.368,15 4.515,16 3.898,17 3.643,18 6.141,19 3.663,20 4.547,21 4.737,22 3.836,23 3.721,24 5.836,25 3.717,26 4.595,27 4.808,28 3.838,29 3.627,30 5.946,31 3.662,32 4.484,33 4.647,34 3.855,35 3.599,36 5.884,37 3.654,38 4.51,39 4.691,40 3.83,41 3.637,42 5.968,43 3.65,44 4.517,45 4.717,46 3.8,47 3.635,48 5.963,49 3.616,50 4.521,51 4.761,52 3.666,53 3.553,54 5.963,55 3.516,56 0.281,57 0.802,58 6.17,59 3.909,60 44.969,61 4.069,62 1.031,63 1.511,64 14.037,65 6.142,66 174.881,67 6.72,68 0.773,69 1.283,70 18.915,71 7.272,72 100.682,73 8.794,74 1.068,75 1.312,76 22.586,77 6.883,78 147.378,79 7.66,80 0.936,81 1.23,82 17.695,83 6.133,84 110.667,85 6.341,86 1.018,87 1.255,88 18.05,89 6.117,90 119.933,91 7.112,92 1.022,93 1.262,94 18.833,95 6.845,96 92.604,97 8.513,98 1.035,99 1.355,100 21.153,101 6.756,102 140.673,103 8.447,104 36,105 36,106 0.33,107 0.68,108 0.822,109 0.872,110 0.872,111 0.872,112 3.304,113 0.858,114 -4.33,115 -4.27,116 -4.03,118 40.5,120 3,124 1,131 1,140 4,141 3,143 2,146 1,153 1,154 1,162 1,163 1,167 1,168 8,169 1,171 1,172 6,175 1,177 1,180 8,181 1,186 7,191 1,194 5,195 1,197 2,198 9,203 1,206 2,209 2,210 8,211 1,218 3,221 1,222 5,223 1,225 1,229 4,233 1,234 4,237 1,242 6,247 2,255 5,256 2,259 4,264 2,267 3,268 2,270 1276,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.188,277 12.655,278 10.454,279 17.491,280 13.372,281 13.372,282 13.372,283 13.372,284 13.372,285 10.704,286 9.782,287 5.013,288 14.217,289 3.518,290 1.533,291 0.732,292 0.447,293 0.447,294 0.447,295 3.966,298 1,299 1,300 1,301 558,302 4.416,306 197.46,313 1.533,314 50.293,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 275,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.021,336 4.287,337 3.999,338 6.494,339 3.945,340 2.982,341 3.669,342 2.373,343 10.157,344 2.774,345 3.679,346 3.596,347 5.279,348 3.24,349 2.261,350 3.099,351 2.341,352 6.538,353 2.22,354 3.55,355 2.942,356 4.659,357 3.223,358 2.235,359 2.71,361 5.184,362 2.154,363 3.252,364 2.347,365 4.601,366 2.77,367 1.837,368 2.489,370 4.714,371 1.698,372 2.806,373 1.92,374 4.097,375 2.601,376 1.655,377 1.918,379 3.696,380 1.548,381 2.788,382 1.726,383 3.709,384 2.314,385 1.372,386 1.818,388 3.224,389 1.279,390 2.574,391 1.454,392 3.498,393 2.149,394 1.185,395 1.603,397 2.629,398 1.133,399 2.503,400 1.19,401 3.434,402 2.088,403 1.106,404 1.5,406 2.481,407 1.075,408 2.5,409 1.14,410 3.247,411 1.917,412 1,413 1.441,415 2.136,416 0.916,417 1.932,418 1,419 3.041,420 1.624,421 0.673,422 0.816,424 1.556,425 0.633,426 1.234,427 0.814,428 2.73,429 1.092,430 0.097,431 0.105,433 0.214,434 0.096,435 0.792,436 0.51,437 2.483,438 0.412,439 -0.549,440 -0.613,442 -1.231,443 -0.514,444 0.744,445 0.51,446 2.288,447 0.306,448 -0.658,449 -0.876,451 -1.549,452 -0.631,453 0.625,454 0.504,455 2,456 0.177,457 -0.797,458 -1,460 -2,461 -0.7,462 11.557,463 0.445,464 0.71,465 0.027,466 31.5,467 1.212,468 15,469 0.577,470 16.5,471 0.635,472 19.908,473 0.766,474 29.843,475 0.711,476 26.452,477 1.017,478 6.636,479 0.255,480 5.74,481 0.221,482 0.132,483 0.043,484 0.216,485 3,487 0.626,488 1.026,489 0.635,490 1.134,491 0.644,492 0.976,493 0.512,494 0.768,495 0.746,496 1.027,497 0.392,498 1.018,499 0.758,500 0.971,501 0.825,502 1.098,503 0.662,504 1.041,505 1.162,506 0.963,507 1.006,508 0.851,509 1.036,510 0.833,511 1.19,512 1.055,513 1.022,514 0.968,515 0.969,516 0.932,517 0.858,518 0.865,519 1.034,520 0.977,521 0.83,522 1.058,523 0.572,524 1.016,525 0.858,526 1.097,527 0.544,528 1.126,529 0.837,530 0.905,531 1.043,532 1.016,533 0.959,534 1.104,535 5.5,536 0.14,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.377,543 0.23,544 0.238,545 7291,546 31911,547 1.943,548 38.1,549 2,550 6,552 3,553 1,554 2,555 2,558 1.694,559 1.803,560 3.338,561 -0.218,562 1,563 1,567 78.726,568 1.874,569 3.859,570 4.66,571 4.946,572 4.946,573 4.946,574 2.716,575 4.133,576 4.664,577 3.565,578 1158.48,579 8.107,580 14974.3,581 1,582 1,584 1,585 226.477,586 1.553,587 4.611,588 0.204,589 0.008,590 0.074,591 0.045,592 0.026,593 0.022,594 0.018,595 0.012,596 0.009,597 0.011,598 0.429,599 0.17,600 1,601 2.008,602 128.216,603 -0.016,604 -0.071,605 0.012,606 -0.029,607 -0.08,608 -0.01,609 0.333,610 0.275,611 0.074,612 0.016,613 0.418,614 -0.061,615 -0.06,616 -0.203,617 0.06,618 -0.103,619 -0.015,620 -0.01,621 -0.204,622 -0.036,623 -0.008,624 0.086,625 -0.151,626 0.135,627 -0.218,628 -0.144,629 -0.11,630 -0.006,631 -0.16,632 -0.008,633 0.012,634 0.052,635 -0.135,636 -0.028,637 -0.044,638 -0.122,639 0.211,640 -0.133,641 0.066,642 -0.117,643 0.14,644 -0.116,645 0.09,646 0.174,647 -0.025,648 -0.037,649 0.006,650 -0.086,651 5.73,652 4.947,653 0.462,654 26.083,655 1.045,656 1.154,657 3.104,658 9.636,659 0.65,660 3.332,661 3.611,662 3.738,663 3.912,664 4.111,665 4.111,666 4.234,667 4.19,668 4.174,669 4.111,670 6.512,671 0.656,672 367.36,673 3.332,674 4.844,675 5.638,676 6.491,677 7.315,678 8.176,679 9.016,680 9.881,681 10.731,682 11.6,683 7.1,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 42,726 14,727 1,728 27,730 43,731 17,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 3,753 12,754 5,756 2,761 1,764 1,765 2,768 1,769 1,770 3,772 16,773 9,774 1,775 9,779 3,784 1,785 3,796 1,802 2,818 1,830 1,832 2,838 3,840 26,845 1,846 4,848 1,852 1,861 3,862 7.1,864 1,865 1,867 1,869 14.417,870 7.395,871 5.806,872 2.417,874 2.101,875 1.321,876 0.91,877 6.966,878 8.639,879 3.584,880 4.094,881 4.554,882 5.061,883 5.579,884 5.71,885 6.097,886 6.276,887 6.461,888 6.626,889 0.857,890 35,891 10.031,893 4.614,894 8.542,895 17.097,897 13.195,899 3.042,900 79.083,903 1,904 176.567,905 97.797,906 52.971,908 79.047,909 44.88,911 97.797,912 255.614,913 97.851,915 12.196,916 37.905,917 140.379,918 111.769,920 141.253,921 7.76,922 176.567,923 150.768,924 123.927,927 153.024,928 147.47,931 66.069,932 51.128,933 33.571,935 221.447,936 132.018,937 97.797,940 184.326,941 25.419,942 64.618,944 176.898,945 176.567,946 176.898,947 97.797,949 0.57,950 0.297,951 0.149,952 0.084,953 14,954 7,955 0.186,956 8,958 1,959 3.736,960 199.214,962 12,963 113.457,968 19.711,969 9.188,970 6.33,972 176.898,973 8.827,974 7.689,978 -0.196,980 42.683,981 451.262,982 35,987 10.449,990 3.926,991 -0.741,994 43.894,995 48.464,996 0.348,997 0.716,998 0.864,999 0.917,1000 0.917,1001 0.917,1002 4.796,1003 1.185,1004 5.638,1005 3.224,1006 4.29,1007 4.779,1008 3.705,1009 6.431,1010 4.176,1011 5.993,1012 1.106,1013 7.195,1014 2.629,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.289,1021 1,1022 8.88,1023 2.481,1024 5.911,1025 6.866,1026 5.787,1027 10.601,1028 5.659,1029 8.625,1030 0.673,1031 10.648,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.015,1038 9.996,1039 0.097,1040 12.47,1041 1.556,1042 7.899,1043 9.253,1044 8.215,1045 15.218,1046 7.461,1047 11.392,1048 -0.549,1049 14.328,1050 0.214,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.201,1056 12.808,1057 -0.658,1058 16.211,1059 -1.231,1060 10.082,1061 11.792,1062 10.797,1063 19.995,1064 9.434,1065 3.327,1066 -0.797,1067 18.11,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.359,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.36,1079 14.417,1080 13.441,1081 24.831,1082 11.502,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.514,1092 2.235,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.621,1101 1.837,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.674,1110 1.655,1111 4.714,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.786,1117 34.574,1118 15.768,1119 1.372,1120 3.696,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.84,1128 7498,1129 15838,1130 17.277,1131 27.284,1132 40.219,1133 40.634,1134 39.817,1135 39.748,1136 39.463,1137 50.399,1138 17.079,1139 108.472,1140 37.098,1141 5.384,1142 6.46,1143 6.943,1144 5.268,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.021,1150 15.073,1151 1.49,1152 1.505,1153 1.475,1154 1.472,1155 1.462,1156 1.867,1157 0.633,1158 4.017,1159 1.374,1160 3.99,1161 4.019,1162 3.955,1163 3.909,1164 8.513,1165 3.914,1166 3.79,1167 3.836,1168 3.749,1169 3.643,1170 7.999,1171 3.661,1172 3.726,1173 3.774,1174 3.601,1175 3.567,1176 7.999,1177 3.563,1178 3.428,1179 3.458,1180 3.39,1181 3.148,1182 7.474,1183 3.188,1184 3.329,1185 3.369,1186 3.283,1187 3.061,1188 6.351,1189 3.101,1190 3.132,1191 3.182,1192 3.061,1193 2.906,1194 5.063,1195 2.932,1196 2.868,1197 2.917,1198 2.699,1199 2.565,1200 4.856,1201 2.585,1202 2.702,1203 2.776,1204 2.567,1205 2.525,1206 4.624,1207 2.539,1208 0.167,1209 0.165,1210 0.264,1211 0.156,1212 0.123,1213 4.497,1214 0.149,1215 4.46,1216 0.142,1217 7.119,1218 0.434,1219 4.2,1220 0.112,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.021,1226 1.942,1227 1.919,1228 2.025,1229 2.042,1230 1.276,1231 2.034,1232 1.728,1233 1.685,1234 1.948,1235 1.904,1236 1.138,1237 1.914,1238 1.7,1239 1.649,1240 1.82,1241 1.887,1242 0.822,1243 1.875,1244 1.302,1245 1.264,1246 1.553,1247 1.607,1248 0.768,1249 1.576,1250 1.152,1251 1.115,1252 1.242,1253 1.454,1254 0.291,1255 1.368,1256 1.023,1257 0.973,1258 1.202,1259 1.298,1260 0.244,1261 1.256,1262 0.758,1263 0.71,1264 1.085,1265 1.114,1266 0.208,1267 1.109,1268 0.691,1269 0.626,1270 0.965,1271 0.912,1273 0.927,1274 4.007,1276 5.293,1278 6.763,1280 8.319,1282 9.927,1286 38.84,1289 8.573,1290 1.026,1292 5.17,1296 -4.48,1300 27.573,1301 78.726,1302 162.071,1303 195.722,1304 207.722,1305 207.722,1306 207.722,1307 80.659,1308 6.538,1309 84.67,1310 84.67,1311 12,1312 12.148,1313 3.907,1314 3.17,1315 54.785,1316 93,1317 122,1318 0.268,1319 171.6,1320 312.6,1321 410.465,1322 4880,1323 7.1,1324 18.993,1325 0.731,1326 0.523,1327 16.493,1328 13.609,1329 12.376,1330 0.458,1331 0.286,1332 7.54,1333 11.58,1334 7.473,1335 6.168,1336 11.165,1337 7.725,1338 11.437,1339 0.318,1340 0.148,1341 9.479,1342 5.33,1343 7.869,1344 0.192,1345 0.081,1346 6.907,1347 3.329,1348 6.108,1349 0.125,1350 0.043,1351 5.575,1352 2.089,1353 4.914,1354 0.082,1355 0.022,1356 4.359,1357 1.317,1358 0.42,1359 80.115,1360 0.241,1361 25.301,1362 0.736,1363 126,1364 650.889,1365 154.875,1366 537.187,1367 678.76,1368 494,1369 140,1370 457.097,1371 161.286,1372 438.3,1373 644.72,1374 408,1375 5.215} {0 CHEMBL42283,1 1.654,2 7.833,3 1.696,4 2.876,5 66.245,6 8.32,7 0.75,8 3.514,9 3.62,10 3.17,11 3.05,12 4.75,13 3.068,14 3.979,15 4.119,16 3.521,17 3.439,18 5.298,19 3.435,20 4.145,21 4.318,22 3.392,23 3.491,24 5.312,25 3.421,26 4.217,27 4.448,28 3.264,29 3.383,30 5.292,31 3.309,32 3.956,33 4.177,34 3.146,35 3.208,36 5.085,37 3.144,38 3.906,39 4.112,40 3.027,41 3.037,42 5.126,43 2.995,44 3.632,45 3.872,46 2.716,47 2.761,48 4.704,49 2.702,50 3.388,51 3.594,52 2.474,53 2.484,54 4.644,55 2.434,56 0.076,57 0.448,58 4.811,59 2.305,60 8.701,61 2.62,62 0.239,63 0.707,64 8.556,65 3.642,66 30.057,67 4.384,68 0.233,69 0.766,70 11.13,71 4.944,72 20.806,73 6.272,74 0.302,75 0.755,76 15.14,77 5.3,78 40.269,79 6.93,80 0.176,81 0.609,82 10.802,83 4.173,84 15.297,85 5.565,86 0.226,87 0.551,88 10.513,89 3.632,90 30.724,91 4.499,92 0.189,93 0.429,94 8.479,95 2.73,96 23.636,97 3.636,98 0.244,99 0.31,100 6.573,101 2.027,102 24.235,103 2.496,104 6,105 28,106 0.312,107 0.723,108 0.851,109 0.903,110 0.903,111 0.903,112 2.96,113 0.829,114 -2.47,115 -2.5,116 -2.44,118 44.8,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,177 3,178 1,180 5,181 1,186 3,189 1,190 1,191 3,194 4,195 1,198 3,203 2,206 1,207 2,210 5,213 1,215 2,219 2,222 4,227 2,234 1,235 1,237 1,246 1,247 1,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.199,279 12.405,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.468,288 10.285,289 3.204,290 1.022,291 0.345,292 0.069,293 0.069,294 0.069,295 3.637,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 16.326,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 39.5,326 141,327 4.518,328 3.588,329 6.339,330 4.039,331 3.059,332 4.455,333 1.437,334 9.768,335 2.995,336 4.005,337 3.022,338 5.745,339 3.615,340 2.658,341 3.534,342 0.522,343 7.828,344 2.555,345 3.834,346 2.746,347 5.518,348 3.392,349 2.428,350 3.292,352 7.24,353 2.319,354 3.474,355 2.242,356 5.003,357 3.034,358 2.054,359 2.821,361 5.926,362 2,363 3.028,364 1.657,365 4.41,366 2.505,367 1.528,368 2.288,370 4.3,371 1.49,372 2.637,373 1.505,374 3.709,375 2.124,376 1.185,377 1.652,379 2.682,380 1.106,381 2.554,382 1.226,383 3.431,384 2.015,385 1.039,386 1.509,388 2.491,389 0.999,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.95,400 0.537,401 3,402 1.449,403 0.475,404 0.692,406 1.211,407 0.461,408 1.142,409 0.424,410 2.726,411 0.781,412 -0.178,413 -0.228,415 -0.512,416 -0.17,417 0.686,418 0.003,419 2.25,420 0.21,421 -0.774,422 -1.05,424 -2,425 -0.749,426 0.479,427 -0.703,428 2,429 0.01,430 -0.96,431 -1.292,433 -2.203,434 -0.927,435 0.465,436 -0.896,437 1.868,438 -0.003,439 -1,440 -1.393,442 -2.666,443 -0.962,444 0.064,445 -1.16,446 1.384,447 -0.301,448 -1.274,449 -1.748,451 -3.496,452 -1.275,453 -0.095,454 -1.342,455 1.288,456 -0.555,457 -1.51,458 -1.984,460 -4.17,461 -1.428,462 8.367,463 0.465,464 0.452,465 0.025,466 25.75,467 1.431,468 13.5,469 0.75,470 12.25,471 0.681,472 9.952,473 0.553,474 18.633,475 0.643,476 16.244,477 0.902,478 5.343,479 0.297,480 3.377,481 0.188,482 0.08,484 0.347,487 0.876,488 1.294,489 0.711,490 0.949,491 0.724,492 0.818,493 0.639,494 1.022,495 0.825,496 0.888,497 0.389,498 0.874,499 0.604,500 1.156,501 1.104,502 1.277,503 0.624,504 1.3,505 1.002,506 0.899,507 1.008,508 0.937,509 0.988,510 0.965,511 0.652,512 0.934,513 0.855,514 1.034,515 0.541,516 0.993,517 1.285,518 1.176,519 1.116,520 1.122,521 1.314,522 1.096,523 0.992,524 0.875,525 0.992,526 0.88,527 0.95,528 0.918,529 1.341,530 0.808,531 1.239,532 0.841,533 1.724,534 1.003,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 9490,547 2.12,548 37.9,550 6,551 1,552 2,553 2,558 1.583,559 2,560 3.005,561 0.429,563 1,564 1,565 1,567 47.967,568 1.654,569 3.836,570 4.513,571 4.789,572 4.789,573 4.789,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,582 1,584 1,585 140.881,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.137,604 -0.177,605 0.012,606 0.004,607 -0.11,608 0.033,609 0.099,610 0.099,611 -0.044,612 0.047,613 0.206,614 -0.006,615 0.081,616 -0.161,617 -0.248,618 -0.292,619 0.024,620 -0.338,621 -0.111,622 0.007,623 0.022,624 0.054,625 -0.095,626 0.069,627 0.058,628 0.009,629 0.116,630 -0.04,631 0.107,632 0.037,633 -0.188,634 -0.257,635 -0.097,636 -0.163,637 -0.159,638 -0.122,639 -0.066,640 0.074,641 0.059,642 0.07,643 -0.095,644 0.089,645 0.014,646 0.116,647 -0.168,648 0.098,649 -0.273,650 -0.058,651 2.609,652 3.868,653 0.778,654 13.136,655 1.017,656 1.123,657 1.239,658 1.535,659 0.689,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.676,672 241.27,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 10.3,691 2,693 1,698 2,699 7,700 1,701 1,704 2,705 1,706 15,714 1,724 29,726 16,727 1,728 20,730 31,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 11,773 3,774 2,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,830 1,832 2,840 18,845 1,846 1,862 6.9,864 1,865 1,869 9,870 5.1,871 3.889,872 1.556,874 2.882,875 1.444,876 1,877 2.647,878 9.371,879 3.384,880 4.034,881 4.642,882 5.27,883 5.714,884 6.11,885 6.505,886 6.958,887 7.073,888 7.316,889 1,890 23,891 6.6,893 2.839,894 7.963,895 12.342,897 10.101,899 2.463,900 44.333,901 0.001,904 105.94,905 78.293,906 35.47,908 67.828,911 78.293,912 173.768,913 35.47,915 2.106,916 46.952,917 117.684,918 33.491,919 16.672,920 70.627,922 105.94,923 113.764,924 67.828,927 105.94,928 67.828,931 38.456,932 58.522,933 16.786,935 105.94,936 103.298,937 78.293,940 105.94,941 13.675,942 66.518,943 16.786,944 84.614,945 105.94,946 103.298,947 78.293,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.097,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,968 11.05,969 4.312,970 2.181,971 1.742,972 84.614,973 12.881,974 3.985,975 2.891,978 1.309,979 1.961,980 59.469,981 287.532,982 28.5,987 10.868,991 -0.942,994 29.494,995 32.575,996 0.34,997 0.79,998 0.929,999 0.986,1000 0.986,1001 0.986,1002 4.593,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.975,1011 5.819,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.524,1020 7.13,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.983,1026 2.269,1027 10.044,1028 5.483,1029 8.479,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.672,1036 11.651,1037 5.847,1038 9.858,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.54,1044 2.925,1045 14.208,1046 7.274,1047 11.258,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.638,1054 16.168,1055 8.006,1056 12.675,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 12.277,1062 3.619,1063 18.54,1064 9.223,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 13.579,1072 20.666,1073 10.134,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 15.124,1080 4.33,1081 22.97,1082 11.265,1083 2.428,1084 7.828,1085 20.817,1086 4.455,1087 12.544,1088 16.524,1090 25.174,1091 12.264,1092 2.054,1093 7.24,1094 22.612,1095 3.534,1096 13.661,1097 18.033,1098 5.047,1099 27.455,1100 13.363,1101 1.528,1102 5.926,1103 24.413,1104 3.292,1105 14.723,1106 19.481,1108 29.696,1109 14.405,1110 1.185,1111 4.3,1112 26.219,1113 2.821,1114 15.829,1115 20.977,1116 5.769,1117 31.971,1118 15.494,1119 1.039,1120 2.682,1121 28.028,1122 2.288,1123 16.914,1124 22.447,1126 34.23,1127 16.559,1128 2864,1129 5223,1130 13.523,1131 19.972,1132 30.587,1133 30.79,1134 30.235,1135 30.083,1136 30.089,1137 42.343,1138 3.916,1139 85.638,1140 29.006,1141 5.288,1142 5.588,1143 5.954,1144 5.09,1145 5.059,1146 7.455,1147 2.873,1148 16.235,1149 4.995,1150 7.237,1151 1.529,1152 1.539,1153 1.512,1154 1.504,1155 1.504,1156 2.117,1157 0.196,1158 4.282,1159 1.45,1160 4.139,1161 4.172,1162 4.099,1163 4.049,1164 7.475,1165 4.057,1166 3.895,1167 3.961,1168 3.84,1169 3.688,1170 6.351,1171 3.718,1172 3.517,1173 3.541,1174 3.463,1175 3.371,1176 4.983,1177 3.386,1178 3.137,1179 3.149,1180 3.066,1181 2.906,1182 4.9,1183 2.93,1184 2.982,1185 3.046,1186 2.854,1187 2.784,1188 4.233,1189 2.804,1190 2.708,1191 2.787,1192 2.539,1193 2.483,1194 3.807,1195 2.488,1196 2.467,1197 2.568,1198 2.258,1199 2.267,1200 3.537,1201 2.253,1202 2.281,1203 2.412,1204 2.071,1205 1.937,1206 3.324,1207 1.964,1208 0.226,1209 0.179,1210 0.317,1211 0.202,1212 0.153,1213 4.518,1214 0.223,1215 3.588,1216 0.072,1217 6.339,1218 0.488,1219 4.039,1220 0.15,1221 3.059,1222 4.455,1223 1.437,1224 9.768,1225 2.995,1226 1.958,1227 1.933,1228 2.05,1229 2.048,1230 1.227,1231 2.05,1232 1.576,1233 1.548,1234 1.696,1235 1.786,1236 0.863,1237 1.744,1238 1.515,1239 1.452,1240 1.64,1241 1.746,1242 0.681,1243 1.732,1244 1.296,1245 1.228,1246 1.471,1247 1.525,1248 0.448,1249 1.514,1250 1.011,1251 0.956,1252 1.21,1253 1.24,1254 0.26,1255 1.209,1256 0.891,1257 0.862,1258 1.126,1259 1.178,1260 0.166,1261 1.166,1262 0.626,1263 0.575,1264 0.93,1265 0.932,1267 0.959,1268 0.395,1269 0.281,1270 0.808,1271 0.713,1273 0.765,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 8.919,1290 0.72,1300 19.601,1301 47.967,1302 111.23,1303 130.881,1304 138.881,1305 138.881,1306 138.881,1307 22.352,1308 6.489,1309 70.91,1310 70.91,1311 16,1312 12.073,1313 4.087,1314 3.248,1315 25.846,1316 54,1317 40,1318 0.252,1319 121.174,1320 195.78,1321 287.425,1322 4778,1324 12.535,1325 0.696,1326 0.528,1327 12.535,1328 9.498,1329 8.72,1330 0.436,1331 0.276,1332 5.438,1333 8.345,1334 5.341,1335 4.425,1336 8.72,1337 5.529,1338 8.061,1339 0.288,1340 0.148,1341 8.061,1342 4.145,1343 6.544,1344 0.182,1345 0.079,1346 6.544,1347 2.842,1348 5.373,1349 0.114,1350 0.042,1351 5.373,1352 1.979,1353 3.993,1354 0.074,1355 0.023,1356 3.993,1357 1.24,1358 0.388,1359 54.997,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 303.508,1365 106.007,1366 295.382,1367 398.02,1368 274,1369 112,1370 289.85,1371 121.955,1372 295.701,1373 427.46,1374 276,1375 7.481} {0 CHEMBL423117,1 1.669,2 10.158,3 0.606,4 0.367,5 68.982,6 7.686,7 0.55,8 3.638,9 3.752,10 3.217,11 3.066,12 4.833,13 3.089,14 4.125,15 4.285,16 3.481,17 3.364,18 5.334,19 3.371,20 4.279,21 4.464,22 3.338,23 3.385,24 5.448,25 3.336,26 4.188,27 4.406,28 3.152,29 3.321,30 5.132,31 3.232,32 4.149,33 4.387,34 3.162,35 3.259,36 5.2,37 3.165,38 4.036,39 4.278,40 3.068,41 3.148,42 5.13,43 3.078,44 3.906,45 4.12,46 2.947,47 3.031,48 5.004,49 2.976,50 3.759,51 3.982,52 2.785,53 2.882,54 4.885,55 2.784,56 0.083,57 0.491,58 6.738,59 2.744,60 9.645,61 3.549,62 0.32,63 0.695,64 12.834,65 4.221,66 30.202,67 5.485,68 0.582,69 0.7,70 16.521,71 5.113,72 53.368,73 6.649,74 0.303,75 0.658,76 14.987,77 5.182,78 25.785,79 7.092,80 0.361,81 0.638,82 14.689,83 4.859,84 27.911,85 7.093,86 0.253,87 0.583,88 13.105,89 4.032,90 29.781,91 5.926,92 0.277,93 0.507,94 11.367,95 3.406,96 27.766,97 4.734,98 0.329,99 0.431,100 9.794,101 3.176,102 26.511,103 4.619,104 8,105 25,106 0.311,107 0.677,108 0.804,109 0.815,110 0.837,111 0.859,112 3.007,113 0.875,114 -1.64,115 -1.71,116 -1.74,118 38.2,124 3,140 4,142 2,143 1,149 1,154 1,156 1,159 1,160 1,161 1,168 2,171 1,172 4,174 1,175 1,180 2,185 2,186 4,188 1,189 1,194 2,209 2,210 4,215 2,220 2,222 4,227 2,232 2,234 2,246 2,247 2,249 1,250 1,270 464,271 12.845,272 12.845,273 12.845,274 12.845,275 12.845,276 11.293,277 14.462,278 7.998,279 13.264,280 9.899,281 9.899,282 9.899,283 9.899,284 9.899,285 7.613,286 14.239,287 3.858,288 10.568,289 3.418,290 1.446,291 0.765,292 0.706,293 0.588,294 0.471,295 3.669,299 1,300 1,301 399,302 3.082,305 62.15,306 68.846,313 1.956,314 18.399,317 1,318 1,319 1,320 0.8,322 1,323 1,324 0.83,325 42.5,326 193,327 4.043,328 3.55,329 5.497,330 3.616,331 2.669,332 3.638,333 2.014,334 7.404,335 2.523,336 3.918,337 2.96,338 5.352,339 3.452,340 2.538,341 3.478,342 0.878,343 6.997,344 2.318,345 3.589,346 2.723,347 5.14,348 3.253,349 2.295,350 2.821,351 0.86,352 6.407,353 2.214,354 3.419,355 2.593,356 4.603,357 3.031,358 2.059,359 2.634,361 5.029,362 1.954,363 2.714,364 1.689,365 3.61,366 2.35,367 1.42,368 1.777,370 3.016,371 1.314,372 2.5,373 1.427,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.192,382 1.163,383 3.224,384 1.856,385 0.961,386 1.144,388 2.105,389 0.853,390 2.118,391 1,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.825,400 0.618,401 2.936,402 1.514,403 0.613,404 0.7,406 1.352,407 0.542,408 1.191,409 0.441,410 2.482,411 0.888,412 -0.03,413 -0.035,415 -0.07,416 -0.027,417 0.722,418 0.145,419 2,420 0.378,421 -0.543,422 -0.637,424 -1.258,425 -0.491,426 0.5,427 -0.192,428 1.918,429 0.051,430 -1,431 -1.171,433 -2,434 -0.97,435 0.459,436 -0.607,437 1.616,439 -1,440 -1.412,442 -2.76,443 -1,444 0.071,445 -0.977,446 1.096,447 -0.171,448 -1.09,449 -1.5,451 -3,452 -1.052,453 -0.065,454 -1,455 1,456 -0.383,457 -1.332,458 -1.652,460 -3.129,461 -1.274,462 8.7,463 0.458,464 0.349,465 0.018,466 25.25,467 1.329,468 12.5,469 0.658,470 12.75,471 0.671,472 10.963,473 0.577,474 21.3,475 0.626,476 16.232,477 0.854,478 5.427,479 0.286,480 3.81,481 0.201,482 0.084,484 0.218,487 0.89,488 1.513,489 0.767,490 1.254,491 0.744,492 1.012,493 1.202,494 1.049,495 0.986,496 1.031,497 0.661,498 0.962,499 1.326,500 0.82,501 1.24,502 0.969,503 1.252,504 1.077,505 0.993,506 1.05,507 1.05,508 1.145,509 0.604,510 1.13,511 0.563,512 1.029,513 0.833,514 1.066,515 0.537,516 1.028,517 0.857,518 1.037,519 0.875,520 0.971,521 1.084,522 0.929,523 1.245,524 0.991,525 1.106,526 0.939,527 1.236,528 0.982,529 0.514,530 0.965,531 0.968,532 1.061,533 0.419,534 1.123,535 3.5,536 0.02,537 1.333,538 0.347,539 0.507,540 0.427,541 0.208,542 0.134,543 0.103,544 0.067,545 3771,546 12412,547 2.025,548 44.1,550 10,551 1,552 2,553 2,558 1.592,559 1.932,560 3.332,561 0.445,563 1,565 1,567 56.755,568 1.669,569 3.642,570 4.323,571 4.382,572 4.499,573 4.617,574 2.76,575 3.577,576 4.215,577 3.523,578 602.478,579 7.127,580 6393.27,582 1,585 172.974,586 1.19,587 4.196,588 0.175,589 0.003,590 0.053,591 0.017,592 0.03,593 0.025,594 0.013,595 0.01,596 0.009,597 0.008,598 0.344,599 0.5,600 1,601 1.236,602 85.976,603 -0.096,604 -0.276,605 0.041,606 -0.16,607 -0.1,608 -0.042,609 -0.124,610 0.052,611 -0.067,612 -0.035,613 0.068,614 -0.033,615 -0.073,616 0.138,617 -0.254,618 0.009,619 -0.122,620 -0.139,621 -0.109,622 -0.124,623 -0.099,624 -0.116,625 -0.052,626 -0.11,627 0.215,628 -0.106,629 0.126,630 -0.059,631 0.153,632 -0.001,633 -0.059,634 -0.09,635 0.09,636 0.008,637 -0.03,638 0.076,639 -0.234,640 -0.025,641 -0.134,642 0.032,643 -0.221,644 -0.017,645 0.344,646 -0.01,647 -0.012,648 -0.069,649 0.225,650 -0.124,651 2.166,652 3.559,653 0.579,654 18.277,655 1.017,656 1.136,657 0.409,658 0.167,659 0.646,660 3.045,661 3.258,662 3.367,663 3.497,664 3.555,665 3.497,666 3.497,667 3.555,668 3.555,669 3.434,670 6.202,671 0.629,672 261.31,673 3.045,674 4.511,675 5.283,676 6.089,677 6.878,678 7.686,679 8.482,680 9.29,681 10.091,682 10.899,683 8.8,690 1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 2,724 34,726 12,727 1,728 20,730 35,731 13,733 9,734 2,735 4,739 2,740 2,753 10,754 3,756 1,761 1,765 1,768 1,769 1,772 15,773 5,774 2,775 6,778 1,779 3,784 1,785 3,801 1,802 1,815 1,832 2,840 19,841 1,846 3,848 2,862 8.8,865 1,867 2,869 9.833,870 5.817,871 4.333,872 1.783,874 1.917,875 1.318,876 0.94,877 4.948,878 7.95,879 3.314,880 3.801,881 4.199,882 4.639,883 4.886,884 4.844,885 4.961,886 5.211,887 5.469,888 5.564,889 0.857,890 20,891 6.945,893 2.775,894 7.947,895 12.954,897 9.765,899 2.447,900 46.5,904 153.024,905 91.1,906 51.582,908 47.145,911 91.1,912 200.169,913 51.582,915 44.188,916 46.952,917 78.796,918 43.433,919 11.771,920 117.711,922 153.024,923 142.682,924 47.145,927 153.024,928 47.145,931 63.753,932 62.144,933 16.786,935 153.024,936 98.727,937 91.1,940 153.024,941 26.482,942 66.518,944 96.827,945 153.024,946 98.727,947 91.1,949 0.557,950 0.289,951 0.143,952 0.073,953 10,954 4,955 0.2,956 7,958 1,959 3.363,960 120.247,962 11,963 76.711,968 13.584,969 6.921,970 4.732,972 96.827,973 12.374,974 3.947,978 1.326,979 1.935,980 32.897,981 342.851,982 26.5,987 10.559,991 -0.499,994 34.589,995 38.614,996 0.328,997 0.716,998 0.85,999 0.861,1000 0.884,1001 0.908,1002 4.474,1003 0.618,1004 5.198,1005 2.105,1006 3.932,1007 4.483,1008 2.385,1009 5.826,1010 3.807,1011 5.621,1012 0.613,1013 6.64,1014 1.372,1015 3.219,1016 3.98,1017 1.593,1018 6.326,1019 3.066,1020 6.865,1021 -0.03,1022 8.169,1023 1.352,1024 5.352,1025 6.509,1026 3.276,1027 9.283,1028 5.101,1029 8.14,1030 -0.543,1031 9.748,1032 -0.07,1033 5.442,1034 6.827,1035 3.158,1036 10.592,1037 5.142,1038 9.442,1039 -1,1040 11.359,1041 -1.258,1042 6.987,1043 8.77,1044 4.461,1045 12.98,1046 6.613,1047 10.762,1048 -1,1049 12.99,1050 -2,1051 7.46,1052 9.475,1053 4.687,1054 14.628,1055 7.019,1056 12.094,1057 -1.09,1058 14.635,1059 -2.76,1060 8.731,1061 11.147,1062 5.758,1063 16.791,1064 8.234,1065 2.669,1066 -1.332,1067 16.289,1068 -3,1069 9.41,1070 12.066,1071 6.17,1072 18.6,1073 8.835,1074 2.538,1075 7.404,1076 17.95,1077 -3.129,1078 10.54,1079 13.589,1080 7.101,1081 20.663,1082 9.917,1083 2.295,1084 6.997,1085 19.616,1086 3.638,1087 11.336,1088 14.636,1089 7.621,1090 22.555,1091 10.632,1092 2.059,1093 6.407,1094 21.285,1095 3.478,1096 12.39,1097 16.073,1098 8.466,1099 24.572,1100 11.641,1101 1.42,1102 5.029,1103 22.958,1104 2.821,1105 13.255,1106 17.199,1107 9.053,1108 26.506,1109 12.425,1110 1,1111 3.016,1112 24.632,1113 2.634,1114 14.267,1115 18.582,1116 9.844,1117 28.503,1118 13.392,1119 0.961,1120 2.275,1121 26.309,1122 1.777,1123 15.173,1124 19.76,1125 10.473,1126 30.459,1127 14.221,1128 3783,1129 6948,1130 13.405,1131 21.949,1132 28.788,1133 29.01,1134 28.555,1135 28.331,1136 28.348,1137 37.238,1138 7.505,1139 71.916,1140 26.59,1141 4.918,1142 5.55,1143 5.155,1144 4.708,1145 4.669,1146 6.638,1147 3.615,1148 12.679,1149 4.523,1150 7.962,1151 1.439,1152 1.451,1153 1.428,1154 1.417,1155 1.417,1156 1.862,1157 0.375,1158 3.596,1159 1.33,1160 3.952,1161 4.006,1162 3.89,1163 3.824,1164 7.437,1165 3.831,1166 3.876,1167 3.908,1168 3.819,1169 3.695,1170 4.971,1171 3.722,1172 3.565,1173 3.602,1174 3.484,1175 3.296,1176 4.914,1177 3.337,1178 3.344,1179 3.403,1180 3.204,1181 3.134,1182 4.855,1183 3.138,1184 2.935,1185 2.991,1186 2.83,1187 2.735,1188 4.504,1189 2.718,1190 2.854,1191 2.925,1192 2.687,1193 2.693,1194 4.058,1195 2.715,1196 2.659,1197 2.761,1198 2.439,1199 2.324,1200 3.674,1201 2.326,1202 2.498,1203 2.597,1204 2.278,1205 2.277,1206 3.628,1207 2.276,1208 0.202,1209 0.178,1210 0.275,1211 0.181,1212 0.133,1213 4.043,1214 0.182,1215 3.55,1216 0.101,1217 5.497,1218 0.37,1219 3.616,1220 0.126,1221 2.669,1222 3.638,1223 2.014,1224 7.404,1225 2.523,1226 1.87,1227 1.853,1228 1.98,1229 1.996,1230 1.107,1231 1.989,1232 1.627,1233 1.56,1234 1.823,1235 1.863,1236 1.023,1237 1.853,1238 1.435,1239 1.398,1240 1.633,1241 1.731,1242 0.714,1243 1.7,1244 1.308,1245 1.243,1246 1.499,1247 1.527,1248 0.527,1249 1.52,1250 1.094,1251 1.03,1252 1.328,1253 1.383,1254 0.315,1255 1.372,1256 0.886,1257 0.821,1258 1.181,1259 1.169,1260 0.218,1261 1.165,1262 0.8,1263 0.751,1264 1.126,1265 1.062,1266 0.048,1267 1.107,1268 0.59,1269 0.466,1270 0.932,1271 0.882,1273 0.902,1274 3.714,1276 4.949,1277 2.398,1278 6.344,1279 4.443,1280 7.812,1281 6.26,1282 9.32,1288 4.986,1290 1.165,1292 10.707,1300 21.369,1301 56.755,1302 123.812,1303 146.974,1304 148.974,1305 152.974,1306 156.974,1307 26.221,1308 6.033,1309 79.37,1310 79.37,1311 11,1312 11.491,1313 3.7,1314 2.907,1315 34.078,1316 70,1317 59,1318 0.236,1319 135.491,1320 230.47,1321 322.359,1322 2938,1324 13.502,1325 0.711,1326 0.545,1327 13.502,1328 10.359,1329 9.237,1330 0.462,1331 0.292,1332 5.7,1333 8.682,1334 5.612,1335 4.65,1336 9.237,1337 5.836,1338 7.939,1339 0.318,1340 0.155,1341 7.939,1342 3.875,1343 5.818,1344 0.208,1345 0.085,1346 5.818,1347 2.382,1348 4.372,1349 0.137,1350 0.046,1351 4.372,1352 1.474,1353 3.121,1354 0.092,1355 0.025,1356 3.121,1357 0.848,1358 0.384,1359 59.218,1360 0.273,1361 19.896,1362 0.604,1363 90,1364 333.809,1365 103.852,1366 309.967,1367 408.5,1368 290,1369 98,1370 285.32,1371 111.217,1372 284.065,1373 403.12,1374 265,1375 6.071} {0 CHEMBL423248,1 1.572,2 13.514,3 3.537,4 12.507,5 127.415,6 7.486,7 0.324,8 4.268,9 4.364,10 3.817,11 3.718,12 5.44,13 3.722,14 4.823,15 4.967,16 4.176,17 4.086,18 6.071,19 4.08,20 5.094,21 5.257,22 4.277,23 4.256,24 6.196,25 4.227,26 5.254,27 5.459,28 4.276,29 4.311,30 6.343,31 4.265,32 5.194,33 5.38,34 4.312,35 4.382,36 6.282,37 4.315,38 5.358,39 5.595,40 4.314,41 4.412,42 6.372,43 4.334,44 5.342,45 5.547,46 4.224,47 4.336,48 6.52,49 4.263,50 5.18,51 5.415,52 4.114,53 4.262,54 6.149,55 4.174,56 0.224,57 0.864,58 13.449,59 6.338,60 19.805,61 7.742,62 0.744,63 1.327,64 26.73,65 10.101,66 98.3,67 12.765,68 0.981,69 1.647,70 36.407,71 12.826,72 85.719,73 16.428,74 1.445,75 1.799,76 46.295,77 14.324,78 131.728,79 18.976,80 0.926,81 1.897,82 39.84,83 14.833,84 98.809,85 19.976,86 1.126,87 2.095,88 50.542,89 16.027,90 110.871,91 22.766,92 1.794,93 1.904,94 51.364,95 15.306,96 213.557,97 20.38,98 1.105,99 1.762,100 42.619,101 13.6,102 103.231,103 19.199,104 64,105 51,106 0.251,107 0.604,108 0.81,109 0.872,110 0.882,111 0.882,112 3.588,113 0.913,114 -3.66,115 -3.62,116 -3.45,118 38.5,119 2,120 3,121 1,123 1,124 1,126 1,127 1,129 1,133 2,140 5,141 1,142 3,143 2,154 1,162 2,163 1,167 1,168 8,169 1,171 2,172 12,175 1,177 1,180 8,181 1,185 3,186 15,191 1,194 6,195 1,197 4,198 9,203 1,206 7,207 1,209 3,210 13,215 1,218 12,219 1,221 3,222 15,227 1,229 7,230 1,233 5,234 10,239 1,242 9,246 2,247 4,248 2,255 10,256 1,258 2,259 10,262 2,264 1,267 9,268 1,270 2465,271 23.084,272 23.084,273 23.084,274 23.084,275 23.084,276 20.863,277 28.245,278 13.784,279 23.59,280 18.209,281 18.209,282 18.209,283 18.209,284 18.209,285 14.944,286 35.265,287 6.485,288 18.952,289 4.451,290 2.236,291 0.944,292 0.558,293 0.496,294 0.496,295 4.267,300 1,301 975,302 4.743,306 384.351,313 2.186,314 52.811,317 1,318 0.5,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.81,325 79,326 473,327 4.5,328 3.855,329 7.319,330 4.369,331 3.417,332 4.153,333 2.612,334 12.574,335 3.247,336 4.322,337 3.756,338 6.505,339 3.978,340 3.013,341 3.591,342 2.341,343 10.21,344 2.903,345 4.124,346 3.597,347 6.415,348 3.897,349 2.927,350 3.368,351 1.465,352 9.787,353 2.832,354 3.716,355 3.329,356 5.257,357 3.257,358 2.288,359 3.173,360 0.86,361 6.569,362 2.238,363 3.567,364 2.898,365 5.238,366 3.223,367 2.265,368 2.736,369 0.86,370 6.41,371 2.193,372 3.517,373 2.644,374 5.047,375 3.214,376 2.223,377 2.696,378 0.811,379 5.539,380 2.128,381 3.36,382 2.418,383 4.665,384 2.877,385 1.927,386 2.601,388 5.183,389 1.818,390 3.115,391 2.223,392 4.657,393 2.681,394 1.706,395 2.201,397 4.685,398 1.656,399 2.85,400 1.942,401 4.128,402 2.509,403 1.553,404 1.93,406 3.651,407 1.483,408 2.625,409 1.861,410 3.639,411 2.438,412 1.456,413 1.61,415 3.137,416 1.419,417 2.591,418 1.419,419 3.618,420 2,421 1,422 1.585,424 2.477,425 1,426 2.5,427 1.37,428 3.48,429 1.958,430 1,431 1.5,433 2.425,434 0.955,435 2.17,436 1.217,437 3.301,438 1.913,439 1,440 1.136,442 2.136,443 0.903,444 1.92,445 1.14,446 3.247,447 1.773,448 0.781,449 0.834,451 1.674,452 0.769,453 1.751,454 1,455 3.034,456 1.462,457 0.596,458 0.663,460 1.07,461 0.51,462 15.967,463 0.456,464 0.964,465 0.028,466 40.75,467 1.164,468 18.5,469 0.529,470 22.25,471 0.636,472 35.749,473 1.021,474 40.433,475 0.622,476 36.266,477 1.036,478 8.174,479 0.234,480 8.534,481 0.244,482 0.177,483 0.031,484 0.276,487 0.701,488 1.324,489 0.768,490 1.259,491 0.645,492 1.073,493 0.899,494 1.127,495 0.855,496 1.087,497 0.484,498 0.98,499 1.075,500 1.177,501 1.045,502 1.176,503 0.752,504 1.118,505 1.18,506 0.827,507 1.015,508 0.836,509 0.796,510 0.878,511 0.715,512 1.278,513 0.971,514 1.258,515 0.616,516 1.198,517 0.816,518 0.97,519 0.92,520 1.008,521 0.659,522 0.984,523 1.255,524 0.922,525 1.192,526 0.929,527 1.38,528 1.034,529 0.826,530 0.895,531 0.945,532 0.9,533 0.645,534 0.937,535 8,536 0.301,537 4.222,538 2.438,539 2.218,540 1.806,541 0.83,542 0.639,543 0.5,544 0.352,545 16675,546 55375,547 1.971,548 46.2,549 4,550 13,551 1,552 2,553 1,554 2,555 6,556 1,558 1.771,559 1.818,560 3.66,561 -0.316,563 1,567 102.151,568 1.572,569 3.786,570 5.078,571 5.464,572 5.526,573 5.526,574 3.25,575 4.765,576 5.092,577 3.873,578 2304.64,579 8.971,580 36333.2,585 391.454,586 1.608,587 5.037,588 0.216,589 0.008,590 0.083,591 0.045,592 0.041,593 0.032,594 0.015,595 0.013,596 0.011,597 0.008,598 0.472,599 0.33,600 0.63,601 1.647,602 189.655,603 0.047,604 -0.07,605 0.052,606 -0.069,607 -0.04,608 -0.023,609 0.068,610 -0.027,611 0.065,612 -0.003,613 0.196,614 0.027,615 -0.049,616 -0.131,617 -0.094,618 -0.132,619 -0.047,620 -0.128,621 -0.085,622 0.131,623 -0.007,624 0.139,625 -0.019,626 0.094,627 0.068,628 -0.219,629 -0.059,630 -0.193,631 0.048,632 -0.167,633 -0.009,634 0.031,635 0.047,636 -0.036,637 0.022,638 0.017,639 -0.093,640 0.009,641 -0.168,642 0.029,643 -0.157,644 -0.074,645 -0.01,646 0.096,647 0.021,648 0.082,649 -0.032,650 0.069,651 2.526,652 4.578,653 0.514,654 44.155,655 1.018,656 1.131,657 2.425,658 5.882,659 0.635,660 3.638,661 3.951,662 4.159,663 4.382,664 4.635,665 4.718,666 4.804,667 4.852,668 4.905,669 5.004,670 7.844,671 0.617,672 486.57,673 3.638,674 5.176,675 6.004,676 6.878,677 7.735,678 8.618,679 9.488,680 10.378,681 11.255,682 12.148,683 3.1,693 1,694 1,699 7,700 1,704 4,706 12,718 1,722 2,724 65,726 16,727 1,728 37,730 67,731 25,733 11,734 3,735 3,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 11,755 2,756 4,759 1,761 3,763 2,765 1,772 30,773 9,774 1,775 10,779 2,784 1,785 8,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 35,845 1,846 4,848 4,850 3,852 1,862 12.3,864 1,865 1,866 2,867 2,868 2,869 19.25,870 12.267,871 7.819,872 3.71,874 2.111,875 1.279,876 0.89,877 9.351,878 9.674,879 3.871,880 4.382,881 4.779,882 5.244,883 5.727,884 5.811,885 6.031,886 6.117,887 6.222,888 6.523,889 1,890 54,891 13.018,893 5.541,894 8.06,895 24.081,897 19.232,899 2.56,900 89.583,904 341.362,905 142.857,906 22.456,908 162.575,911 142.857,912 503.937,913 22.456,914 34.204,915 12.196,916 66.693,917 131.066,918 56.524,919 11.771,920 306.049,921 50.747,922 341.362,923 165.312,924 162.575,927 258.964,928 172.226,929 72.747,930 0.36,931 47.941,932 75.603,933 41.408,935 341.362,936 185.03,937 142.857,940 341.722,941 29.535,942 118.632,944 179.36,945 341.362,946 185.03,947 142.857,949 0.577,950 0.321,951 0.165,952 0.096,953 21,954 11,955 0.164,956 11,958 1,959 4.399,960 319.176,962 18,963 175.525,968 26.768,969 12.227,970 7.325,972 179.36,973 11.54,974 4.204,978 1.078,980 42.683,981 669.249,982 47,985 -0.526,987 33.872,989 3.781,991 -0.839,994 66.192,995 73.485,996 0.261,997 0.629,998 0.843,999 0.907,1000 0.918,1001 0.918,1002 5.118,1003 1.706,1004 6.014,1005 5.183,1006 4.635,1007 5.069,1008 3.379,1009 6.845,1010 4.555,1011 6.311,1012 1.553,1013 7.594,1014 4.685,1015 4.369,1016 4.89,1017 2.946,1018 8.017,1019 4.254,1020 7.615,1021 1.456,1022 9.292,1023 3.651,1024 6.282,1025 7.131,1026 4.724,1027 11.055,1028 6.121,1029 8.951,1030 1,1031 11.064,1032 3.137,1033 6.836,1034 7.721,1035 5.015,1036 13.07,1037 6.627,1038 10.319,1039 1,1040 12.885,1041 2.477,1042 8.272,1043 9.497,1044 6.372,1045 15.713,1046 8.022,1047 11.708,1048 1,1049 14.74,1050 2.425,1051 9.187,1052 10.45,1053 6.969,1054 18.034,1055 8.883,1056 13.114,1057 0.781,1058 16.621,1059 2.136,1060 10.455,1061 12.035,1062 8.135,1063 20.569,1064 10.108,1065 3.417,1066 0.596,1067 18.521,1068 1.674,1069 11.531,1070 13.184,1071 8.883,1072 23.004,1073 11.128,1074 3.013,1075 12.574,1076 20.435,1077 1.07,1078 12.743,1079 14.679,1080 9.951,1081 25.515,1082 12.295,1083 2.927,1084 10.21,1085 22.361,1086 4.153,1087 13.888,1088 15.939,1089 10.78,1090 27.997,1091 13.385,1092 2.288,1093 9.787,1094 24.297,1095 3.591,1096 15.087,1097 17.391,1098 11.796,1099 30.507,1100 14.535,1101 2.265,1102 6.569,1103 26.239,1104 3.368,1105 16.265,1106 18.715,1107 12.672,1108 33.01,1109 15.658,1110 2.223,1111 6.41,1112 28.188,1113 3.173,1114 17.464,1115 20.147,1116 13.659,1117 35.524,1118 16.805,1119 1.927,1120 5.539,1121 30.142,1122 2.736,1123 18.657,1124 21.509,1125 14.565,1126 38.039,1127 17.945,1128 16667,1129 30526,1130 23.75,1131 41.307,1132 55.189,1133 57.031,1134 56.546,1135 54.471,1136 54.462,1137 67.737,1138 17.899,1139 155.415,1140 52.261,1141 5.5,1142 5.855,1143 7.121,1144 5.45,1145 5.417,1146 7.153,1147 4.612,1148 20.08,1149 5.247,1150 21.434,1151 1.492,1152 1.541,1153 1.528,1154 1.472,1155 1.472,1156 1.831,1157 0.484,1158 4.2,1159 1.412,1160 4.023,1161 4.041,1162 3.984,1163 3.879,1164 7.815,1165 3.894,1166 3.94,1167 3.966,1168 3.88,1169 3.82,1170 7.474,1171 3.829,1172 3.761,1173 3.805,1174 3.668,1175 3.645,1176 6.999,1177 3.641,1178 3.705,1179 3.739,1180 3.604,1181 3.536,1182 6.351,1183 3.545,1184 3.559,1185 3.604,1186 3.477,1187 3.399,1188 4.954,1189 3.397,1190 3.504,1191 3.522,1192 3.433,1193 3.112,1194 4.878,1195 3.16,1196 3.326,1197 3.354,1198 3.218,1199 3.065,1200 4.754,1201 3.129,1202 3.205,1203 3.272,1204 3.027,1205 2.917,1206 4.529,1207 2.934,1208 0.122,1209 0.104,1210 0.198,1211 0.118,1212 0.092,1213 4.5,1214 0.112,1215 3.855,1216 0.071,1217 7.319,1218 0.34,1219 4.369,1220 0.088,1221 3.417,1222 4.153,1223 2.612,1224 12.574,1225 3.247,1226 1.915,1227 1.895,1228 2.048,1229 2.093,1230 1.362,1231 2.059,1232 1.891,1233 1.866,1234 1.981,1235 2.042,1236 1.15,1237 2.025,1238 1.749,1239 1.706,1240 1.926,1241 1.895,1242 1.115,1243 1.906,1244 1.661,1245 1.623,1246 1.87,1247 1.86,1248 1.033,1249 1.859,1250 1.535,1251 1.485,1252 1.772,1253 1.732,1254 0.935,1255 1.743,1256 1.253,1257 1.217,1258 1.568,1259 1.685,1260 0.647,1261 1.601,1262 1.243,1263 1.204,1264 1.494,1265 1.507,1266 0.572,1267 1.495,1268 1.126,1269 1.062,1270 1.417,1271 1.459,1272 0.469,1273 1.46,1274 4.317,1276 5.631,1278 7.136,1280 8.733,1282 10.383,1284 4.93,1289 8.801,1290 1.499,1292 23.529,1294 -1.218,1296 -1.067,1300 40.136,1301 102.151,1302 246.121,1303 330.07,1304 355.189,1305 359.189,1306 359.189,1307 108.628,1308 7.563,1309 132.93,1310 132.93,1311 18,1312 12.678,1313 4.087,1314 3.459,1315 70.269,1316 161,1317 192,1318 0.21,1319 247.611,1320 450.74,1321 595.93,1322 19082,1324 25.424,1325 0.726,1326 0.57,1327 25.424,1328 19.956,1329 16.708,1330 0.452,1331 0.304,1332 11.034,1333 15.731,1334 10.727,1335 8.907,1336 16.708,1337 11.262,1338 15.312,1339 0.3,1340 0.171,1341 15.312,1342 8.704,1343 11.644,1344 0.185,1345 0.089,1346 11.644,1347 5.607,1348 9.254,1349 0.117,1350 0.048,1351 9.254,1352 3.813,1353 7.634,1354 0.075,1355 0.026,1356 7.634,1357 2.637,1358 0.33,1359 107.401,1360 0.205,1361 32.268,1362 0.575,1363 176,1364 647.589,1365 203.714,1366 593.633,1367 774.74,1368 550,1369 202,1370 544.962,1371 229.362,1372 537.139,1373 777.5,1374 499,1375 7.432} {0 CHEMBL42341,1 1.658,2 8.588,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.728,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.276,19 3.281,20 4.106,21 4.27,22 3.218,23 3.318,24 5.327,25 3.249,26 4.074,27 4.316,28 3.049,29 3.248,30 5.006,31 3.148,32 3.947,33 4.17,34 3.097,35 3.177,36 5.074,37 3.107,38 3.91,39 4.115,40 2.926,41 2.99,42 5.155,43 2.931,44 3.589,45 3.818,46 2.515,47 2.562,48 4.717,49 2.505,50 3.228,51 3.466,52 2.354,53 2.172,54 4.29,55 2.178,56 0.086,57 0.411,58 5.241,59 2.477,60 9.662,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 35.194,67 4.478,68 0.469,69 0.642,70 12.606,71 4.754,72 48.037,73 5.887,74 0.271,75 0.632,76 13.433,77 4.708,78 24.835,79 6.584,80 0.174,81 0.568,82 11.147,83 4.286,84 15.87,85 5.914,86 0.323,87 0.495,88 11.338,89 3.711,90 32.529,91 4.777,92 0.221,93 0.342,94 8.621,95 2.558,96 30.833,97 3.414,98 0.193,99 0.229,100 6.237,101 1.607,102 16.388,103 2.227,104 8,105 23,106 0.32,107 0.699,108 0.83,109 0.856,110 0.856,111 0.856,112 2.905,113 0.855,114 -2.28,115 -2.31,116 -2.28,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 3,173 1,175 1,180 4,185 1,186 4,189 1,194 2,198 4,207 2,210 4,215 2,219 2,221 1,222 4,227 2,230 1,234 1,239 1,246 1,248 1,258 1,262 1,270 295,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.878,277 14.291,278 7.063,279 11.732,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 6.656,286 19.449,287 3.424,288 9.402,289 3.2,290 1.229,291 0.552,292 0.414,293 0.414,294 0.414,295 3.561,299 1,300 1,301 303,302 2.739,305 51.956,306 57.97,313 1.73,314 16.556,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 146,327 4.094,328 3.627,329 5.62,330 3.695,331 2.734,332 3.683,333 2.423,334 7.798,335 2.636,336 3.878,337 2.964,338 5.344,339 3.425,340 2.5,341 3.437,342 0.922,343 6.982,344 2.304,345 3.563,346 2.75,347 4.971,348 3.188,349 2.213,350 2.792,351 0.522,352 5.918,353 2.134,354 3.381,355 2.277,356 4.6,357 2.971,358 2,359 2.62,361 5.019,362 1.922,363 2.589,364 1.479,365 3.434,366 2.096,367 1.175,368 1.624,370 2.579,371 1.08,372 2.5,373 1.217,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.118,382 1,383 3,384 1.554,385 0.645,386 0.927,388 1.431,389 0.577,390 1.865,391 0.618,392 3,393 1.54,394 0.618,395 0.741,397 1.372,398 0.566,399 1.24,400 0.561,401 2.601,402 0.914,403 -0.039,404 -0.048,406 -0.096,407 -0.037,408 0.651,409 0.278,410 2,411 0.275,412 -0.667,413 -0.797,415 -1.706,416 -0.611,417 0.5,418 -0.266,419 1.912,421 -1,422 -1.263,424 -2,425 -0.953,426 0.441,427 -0.748,428 1.483,429 -0.001,430 -1,431 -1.5,433 -3,434 -1,435 -0.004,436 -1,437 1,438 -0.248,439 -1.184,440 -1.549,442 -3.041,443 -1.149,444 -0.118,445 -1.119,446 1,447 -0.583,448 -1.537,449 -1.886,451 -3.512,452 -1.447,453 -0.143,454 -1.486,455 1,456 -0.706,457 -1.618,458 -2.249,459 -0.459,460 -4.372,461 -1.493,462 7.8,463 0.459,464 0.349,465 0.021,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.089,473 0.535,474 18.6,475 0.641,476 14.551,477 0.856,478 5.009,479 0.295,480 3.229,481 0.19,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.741,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.5,498 0.937,499 0.931,500 1.08,501 1.229,502 1.155,503 0.959,504 1.258,505 0.666,506 0.921,507 0.914,508 0.947,509 0.416,510 0.981,511 0.531,512 1.072,513 0.75,514 1.086,515 0.509,516 0.992,517 1.156,518 0.983,519 1.125,520 1.039,521 1.282,522 1.076,523 1.244,524 1.043,525 1.089,526 1.044,527 1.389,528 1.031,529 1.186,530 0.72,531 0.774,532 0.677,533 0.748,534 0.622,535 3.5,536 0.046,537 1.111,538 0.472,539 0.577,540 0.313,541 0.231,542 0.164,543 0.031,544 0.065,545 2577,546 9152,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.56,559 1.925,560 3.113,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.306,571 4.444,572 4.444,573 4.444,574 2.514,575 3.499,576 4.054,577 3.276,578 445.472,579 6.815,580 4191.13,582 1,585 140.881,586 1.261,587 4.03,588 0.194,589 0.008,590 0.048,591 0.026,592 0.036,593 0.018,594 0.018,595 0.021,596 0.004,597 0.011,598 0.385,599 0.5,600 1,601 1.325,602 72.396,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.098,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.159,614 -0.034,615 0.054,616 -0.111,617 -0.314,618 -0.152,619 -0.059,620 -0.3,621 -0.023,622 0.023,623 0.043,624 0.045,625 0.031,626 0.062,627 0.07,628 -0.114,629 0.174,630 -0.067,631 0.122,632 0.057,633 -0.114,634 -0.071,635 -0.125,636 -0.081,637 -0.142,638 -0.106,639 -0.17,640 -0.172,641 -0.036,642 -0.116,643 -0.192,644 -0.053,645 0.024,646 0.158,647 0.343,648 0.206,649 0.055,650 0.334,651 2.646,652 3.316,653 0.647,654 14.138,655 1.021,656 1.128,657 1.047,658 1.096,659 0.661,660 2.944,661 3.178,662 3.296,663 3.466,664 3.555,665 3.497,666 3.555,667 3.611,668 3.497,669 3.367,670 5.307,671 0.649,672 232.26,673 2.944,674 4.419,675 5.198,676 6.019,677 6.819,678 7.642,679 8.451,680 9.275,681 10.09,682 10.914,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.833,872 1.5,874 2.007,875 1.342,876 0.918,877 3.778,878 7.87,879 3.239,880 3.755,881 4.169,882 4.658,883 4.973,884 5.051,885 5.38,886 5.725,887 5.908,888 6.019,889 0.833,890 18,891 6.213,893 2.524,894 8.059,895 11.512,897 8.809,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.562,950 0.29,951 0.147,952 0.078,953 10,954 4,955 0.167,956 5,958 1,959 3.093,960 105.997,962 11,963 65.487,968 11.674,969 5.501,970 3.606,972 95.614,973 12.673,974 3.958,978 1.66,979 1.952,980 42.683,981 307.65,982 24.5,987 10.316,991 -0.979,994 29.604,995 32.701,996 0.341,997 0.747,998 0.886,999 0.915,1000 0.915,1001 0.915,1002 4.404,1003 0.618,1004 5.13,1005 1.431,1006 3.85,1007 4.437,1008 2.546,1009 5.784,1010 3.75,1011 5.569,1012 -0.039,1013 6.586,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.088,1020 6.824,1021 -0.667,1022 8.129,1023 -0.096,1024 5.293,1025 6.491,1026 3.839,1027 9.304,1028 5.095,1029 8.11,1030 -1,1031 9.722,1032 -1.706,1033 5.442,1034 6.827,1035 4.238,1036 10.632,1037 5.2,1038 9.42,1039 -1,1040 11.344,1041 -2,1042 6.956,1043 8.767,1044 5.437,1045 13.068,1046 6.666,1047 10.747,1048 -1.184,1049 12.987,1050 -3,1051 7.476,1052 9.485,1053 6.111,1054 14.74,1055 7.135,1056 12.085,1057 -1.537,1058 14.643,1059 -3.041,1060 8.732,1061 11.157,1062 7.138,1063 16.959,1064 8.356,1065 2.734,1066 -1.618,1067 16.309,1068 -3.512,1069 9.453,1070 12.089,1071 7.928,1072 18.804,1073 9.025,1074 2.5,1075 7.798,1076 17.982,1077 -4.372,1078 10.58,1079 13.614,1080 8.878,1081 20.925,1082 10.122,1083 2.213,1084 6.982,1085 19.66,1086 3.683,1087 11.415,1088 14.675,1089 9.719,1090 22.861,1091 10.906,1092 2,1093 5.918,1094 21.344,1095 3.437,1096 12.474,1097 16.114,1098 10.635,1099 24.937,1100 11.938,1101 1.175,1102 5.019,1103 23.031,1104 2.792,1105 13.376,1106 17.255,1107 11.499,1108 26.922,1109 12.794,1110 1,1111 2.579,1112 24.721,1113 2.62,1114 14.401,1115 18.642,1116 12.399,1117 28.977,1118 13.791,1119 0.645,1120 2.275,1121 26.414,1122 1.624,1123 15.341,1124 19.835,1125 13.274,1126 30.989,1127 14.689,1128 2615,1129 5006,1130 12.019,1131 19.182,1132 26.199,1133 26.249,1134 25.969,1135 25.739,1136 25.768,1137 34.646,1138 7.733,1139 66.746,1140 24.438,1141 4.91,1142 5.627,1143 5.235,1144 4.747,1145 4.734,1146 6.683,1147 4.104,1148 13.342,1149 4.636,1150 7.252,1151 1.455,1152 1.458,1153 1.443,1154 1.43,1155 1.432,1156 1.925,1157 0.43,1158 3.708,1159 1.358,1160 3.993,1161 4.041,1162 3.933,1163 3.879,1164 7.474,1165 3.884,1166 3.809,1167 3.85,1168 3.751,1169 3.631,1170 6.351,1171 3.658,1172 3.527,1173 3.531,1174 3.456,1175 3.256,1176 4.966,1177 3.3,1178 3.083,1179 3.134,1180 2.98,1181 2.916,1182 4.816,1183 2.919,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.276,1189 2.715,1190 2.695,1191 2.733,1192 2.535,1193 2.37,1194 3.674,1195 2.385,1196 2.484,1197 2.578,1198 2.272,1199 2.237,1200 3.671,1201 2.246,1202 2.386,1203 2.48,1204 2.194,1205 2.076,1206 3.343,1207 2.101,1208 0.227,1209 0.202,1210 0.312,1211 0.205,1212 0.152,1213 4.094,1214 0.205,1215 3.627,1216 0.135,1217 5.62,1218 0.433,1219 3.695,1220 0.146,1221 2.734,1222 3.683,1223 2.423,1224 7.798,1225 2.636,1226 1.914,1227 1.889,1228 2.027,1229 2.022,1230 1.178,1231 2.024,1232 1.516,1233 1.462,1234 1.679,1235 1.766,1236 0.81,1237 1.737,1238 1.369,1239 1.346,1240 1.565,1241 1.645,1242 0.682,1243 1.615,1244 1.288,1245 1.22,1246 1.465,1247 1.525,1248 0.433,1249 1.512,1250 0.89,1251 0.844,1252 1.181,1253 1.124,1254 0.218,1255 1.12,1256 0.886,1257 0.821,1258 1.143,1259 1.062,1260 0.206,1261 1.107,1262 0.464,1263 0.412,1264 0.812,1265 0.931,1267 0.911,1268 0.309,1269 0.209,1270 0.739,1271 0.619,1273 0.669,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.757,1281 6.26,1282 9.285,1289 8.465,1290 0.417,1292 5.039,1300 18.821,1301 48.087,1302 105.23,1303 124.881,1304 128.881,1305 128.881,1306 128.881,1307 21.766,1308 5.864,1309 64.35,1310 64.35,1311 11,1312 11.494,1313 3.7,1314 2.907,1315 28.723,1316 55,1317 45,1318 0.267,1319 119.105,1320 202.17,1321 282.375,1322 2190,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.237,1330 0.458,1331 0.285,1332 5.024,1333 7.788,1334 4.932,1335 4.1,1336 8.237,1337 5.131,1338 7.244,1339 0.315,1340 0.155,1341 7.244,1342 3.561,1343 5.26,1344 0.202,1345 0.085,1346 5.26,1347 2.21,1348 4.042,1349 0.13,1350 0.046,1351 4.042,1352 1.427,1353 2.978,1354 0.088,1355 0.026,1356 2.978,1357 0.874,1358 0.425,1359 52.598,1360 0.288,1361 17.695,1362 0.711,1363 82,1364 304.911,1365 93.496,1366 286.44,1367 373.9,1368 266,1369 90,1370 258.051,1371 100.724,1372 259.601,1373 368.04,1374 241,1375 7.509} {0 CHEMBL42386,1 1.76,2 7.833,3 2.264,4 5.127,5 70.442,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.708,13 3.098,14 3.936,15 4.054,16 3.681,17 3.541,18 5.256,19 3.473,20 4.074,21 4.215,22 3.602,23 3.557,24 5.209,25 3.442,26 4.116,27 4.325,28 3.367,29 3.431,30 5.173,31 3.311,32 3.877,33 4.06,34 3.227,35 3.238,36 5.029,37 3.144,38 3.824,39 3.996,40 3.158,41 3.101,42 5.079,43 3.017,44 3.572,45 3.782,46 2.916,47 2.862,48 4.622,49 2.732,50 3.247,51 3.409,52 2.468,53 2.44,54 4.568,55 2.39,56 0.062,57 0.393,58 4.01,59 2.486,60 7.972,61 2.491,62 0.23,63 0.661,64 7.857,65 4.056,66 29.291,67 4.115,68 0.159,69 0.715,70 13.07,71 5.817,72 14.424,73 5.934,74 0.224,75 0.738,76 15.524,77 6.03,78 29.208,79 6.769,80 0.13,81 0.591,82 12.711,83 4.799,84 11.729,85 5.387,86 0.193,87 0.532,88 8.858,89 3.917,90 28.229,91 3.974,92 0.159,93 0.446,94 11.004,95 3.68,96 22.236,97 3.852,98 0.214,99 0.289,100 5.898,101 2.127,102 21.132,103 2.039,104 6,105 28,106 0.334,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.96,113 0.938,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,180 8,181 2,186 4,191 2,194 6,195 1,198 3,203 1,206 2,207 2,210 6,215 2,219 2,222 4,227 2,234 2,235 1,246 1,247 1,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.199,279 12.517,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.468,288 10.497,289 3.047,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 15.83,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 141,327 4.518,328 3.588,329 6.339,330 4.004,331 3.059,332 4.455,333 1.437,334 9.768,335 2.889,336 4.005,337 3.022,338 5.745,339 3.606,340 2.658,341 3.534,342 0.522,343 7.828,344 2.52,345 3.834,346 2.746,347 5.518,348 3.383,349 2.428,350 3.292,352 7.24,353 2.296,354 3.474,355 2.242,356 5.003,357 3.032,358 2.054,359 2.821,361 5.926,362 1.995,363 3.028,364 1.657,365 4.41,366 2.462,367 1.528,368 2.288,370 4.3,371 1.405,372 2.637,373 1.505,374 3.709,375 2.117,376 1.185,377 1.652,379 2.682,380 1.097,381 2.554,382 1.226,383 3.431,384 1.989,385 1.039,386 1.509,388 2.491,389 0.959,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.95,400 0.537,401 3,402 1.405,403 0.475,404 0.692,406 1.211,407 0.433,408 1.142,409 0.424,410 2.726,411 0.76,412 -0.178,413 -0.228,415 -0.512,416 -0.165,417 0.686,418 0.003,419 2.25,420 0.196,421 -0.774,422 -1.05,424 -2,425 -0.728,426 0.479,427 -0.703,428 2,429 0.004,430 -0.96,431 -1.292,433 -2.203,434 -0.887,435 0.465,436 -0.896,437 1.868,438 -0.023,439 -1,440 -1.393,442 -2.666,443 -0.959,444 0.064,445 -1.16,446 1.384,447 -0.324,448 -1.274,449 -1.748,451 -3.496,452 -1.242,453 -0.095,454 -1.342,455 1.288,456 -0.561,457 -1.51,458 -1.984,460 -4.17,461 -1.394,462 8.8,463 0.489,464 0.452,465 0.025,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.116,473 0.618,474 18.2,475 0.65,476 15.08,477 0.838,478 5.01,479 0.278,480 3.71,481 0.206,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.707,492 0.761,493 0.609,494 0.729,495 0.831,496 0.71,497 0.385,498 0.762,499 0.637,500 1.182,501 1.176,502 1.369,503 0.679,504 1.277,505 0.839,506 0.902,507 0.996,508 0.96,509 0.787,510 0.984,511 0.649,512 1.195,513 1.105,514 1.268,515 0.545,516 1.1,517 1.366,518 1.106,519 0.94,520 0.951,521 1.408,522 1.107,523 0.985,524 1.029,525 1.266,526 1.14,527 0.959,528 0.955,529 1.474,530 0.958,531 1.165,532 0.928,533 1.922,534 1.084,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 9944,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.583,559 2,560 3.005,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.097,608 0.04,609 0.113,610 0.342,611 0.027,612 0.21,613 0.21,614 0.08,615 0.021,616 -0.236,617 -0.126,618 -0.315,619 -0.021,620 -0.303,621 -0.052,622 0.033,623 0.012,624 0.031,625 -0.031,626 0.072,627 0.051,628 -0.259,629 -0.062,630 -0.245,631 0.114,632 -0.065,633 -0.22,634 -0.175,635 -0.067,636 -0.059,637 -0.204,638 -0.164,639 -0.075,640 -0.032,641 0.026,642 0.02,643 -0.089,644 0.137,645 0.037,646 0.002,647 -0.285,648 -0.053,649 -0.318,650 -0.184,651 2.535,652 3.91,653 0.778,654 13.136,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.706,672 258.32,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.889,872 1.514,874 2.882,875 1.444,876 0.996,877 2.878,878 9.371,879 3.384,880 4.034,881 4.642,882 5.27,883 5.714,884 6.11,885 6.505,886 6.958,887 7.073,888 7.316,889 1,890 23,891 6.611,893 2.843,894 7.926,895 12.448,897 10.266,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 46.952,917 117.684,918 16.705,919 13.875,920 101.904,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 42.156,942 66.518,944 84.614,945 105.94,946 86.513,947 106.774,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.321,971 1.983,972 84.614,973 13.135,974 3.996,977 1.308,978 1.518,979 1.979,980 42.683,981 299.227,982 28.5,987 10.91,991 -0.868,994 28.469,995 30.996,996 0.366,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.932,1011 5.819,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.451,1020 7.13,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.983,1026 2.269,1027 10.044,1028 5.396,1029 8.479,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.672,1036 11.651,1037 5.712,1038 9.858,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.54,1044 2.925,1045 14.208,1046 7.129,1047 11.258,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.638,1054 16.168,1055 7.806,1056 12.675,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 12.277,1062 3.619,1063 18.54,1064 9.008,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 13.579,1072 20.666,1073 9.863,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 15.124,1080 4.33,1081 22.97,1082 10.973,1083 2.428,1084 7.828,1085 20.817,1086 4.455,1087 12.544,1088 16.524,1090 25.174,1091 11.919,1092 2.054,1093 7.24,1094 22.612,1095 3.534,1096 13.661,1097 18.033,1098 5.047,1099 27.455,1100 12.989,1101 1.528,1102 5.926,1103 24.413,1104 3.292,1105 14.723,1106 19.481,1108 29.696,1109 13.984,1110 1.185,1111 4.3,1112 26.219,1113 2.821,1114 15.829,1115 20.977,1116 5.769,1117 31.971,1118 15.039,1119 1.039,1120 2.682,1121 28.028,1122 2.288,1123 16.914,1124 22.447,1126 34.23,1127 16.06,1128 2864,1129 5361,1130 13.523,1131 20.614,1132 30.587,1133 30.79,1134 30.235,1135 30.092,1136 30.089,1137 42.343,1138 3.916,1139 85.638,1140 28.344,1141 5.288,1142 5.588,1143 5.954,1144 5.113,1145 5.059,1146 7.455,1147 2.873,1148 16.235,1149 4.889,1150 7.237,1151 1.529,1152 1.539,1153 1.512,1154 1.505,1155 1.504,1156 2.117,1157 0.196,1158 4.282,1159 1.417,1160 4.1,1161 4.114,1162 4.336,1163 4.115,1164 7.475,1165 4.065,1166 3.886,1167 3.941,1168 3.862,1169 3.699,1170 6.351,1171 3.719,1172 3.498,1173 3.504,1174 3.521,1175 3.403,1176 4.967,1177 3.388,1178 3.13,1179 3.148,1180 3.143,1181 2.917,1182 4.813,1183 2.93,1184 2.919,1185 2.955,1186 2.969,1187 2.82,1188 4.119,1189 2.8,1190 2.707,1191 2.787,1192 2.539,1193 2.483,1194 3.731,1195 2.488,1196 2.467,1197 2.567,1198 2.275,1199 2.267,1200 3.531,1201 2.253,1202 2.174,1203 2.263,1204 2.258,1205 2.014,1206 3.324,1207 1.938,1208 0.226,1209 0.179,1210 0.317,1211 0.2,1212 0.153,1213 4.518,1214 0.223,1215 3.588,1216 0.072,1217 6.339,1218 0.488,1219 4.004,1220 0.144,1221 3.059,1222 4.455,1223 1.437,1224 9.768,1225 2.889,1226 1.951,1227 1.933,1228 2.033,1229 2.019,1230 1.228,1231 2.03,1232 1.557,1233 1.541,1234 1.694,1235 1.746,1236 0.863,1237 1.733,1238 1.475,1239 1.448,1240 1.5,1241 1.618,1242 0.673,1243 1.603,1244 1.294,1245 1.228,1246 1.434,1247 1.525,1248 0.445,1249 1.512,1250 0.982,1251 0.947,1252 1.142,1253 1.184,1254 0.25,1255 1.175,1256 0.878,1257 0.854,1258 1.092,1259 1.025,1260 0.166,1261 1.079,1262 0.609,1263 0.564,1264 0.929,1265 0.911,1267 0.943,1268 0.327,1269 0.25,1270 0.61,1271 0.57,1273 0.633,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 8.961,1290 0.746,1300 19.767,1301 49.281,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 22.958,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.073,1313 4.087,1314 3.248,1315 25.846,1316 54,1317 40,1318 0.252,1319 125.511,1320 203.29,1321 298.007,1322 4778,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.72,1330 0.436,1331 0.313,1332 5.435,1333 7.955,1334 5.249,1335 4.338,1336 9.129,1337 6.254,1338 8.061,1339 0.288,1340 0.182,1341 8.703,1342 5.107,1343 6.544,1344 0.182,1345 0.106,1346 7.415,1347 3.805,1348 5.373,1349 0.114,1350 0.06,1351 6.228,1352 2.836,1353 3.993,1354 0.074,1355 0.034,1356 4.703,1357 1.81,1358 0.388,1359 58.672,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 304.036,1365 129.576,1366 316.412,1367 425.38,1368 294,1369 112,1370 290.339,1371 144.007,1372 312.536,1373 454.2,1374 292,1375 7.745} {0 CHEMBL423993,1 1.65,2 18.54,3 7.164,4 51.326,5 199.641,6 8.049,7 0.5,8 4.58,9 4.689,10 4.247,11 4.168,12 5.662,13 4.132,14 5.129,15 5.297,16 4.629,17 4.571,18 6.152,19 4.512,20 5.371,21 5.563,22 4.762,23 4.744,24 6.351,25 4.662,26 5.447,27 5.642,28 4.844,29 4.802,30 6.45,31 4.707,32 5.444,33 5.619,34 4.789,35 4.828,36 6.44,37 4.737,38 5.564,39 5.767,40 4.874,41 4.913,42 6.516,43 4.794,44 5.589,45 5.813,46 4.731,47 4.88,48 6.486,49 4.738,50 5.581,51 5.845,52 4.564,53 4.763,54 6.417,55 4.612,56 0.092,57 1.3,58 16.69,59 8.161,60 13.975,61 10.22,62 0.424,63 2.16,64 35.228,65 13.848,66 39.369,67 17.619,68 0.543,69 2.67,70 51.099,71 18.347,72 55.738,73 22.957,74 0.617,75 2.879,76 58.479,77 20.121,78 69.817,79 25.142,80 0.621,81 2.859,82 58.598,83 21.012,84 64.853,85 24.931,86 0.817,87 3.135,88 65.403,89 23.115,90 75.436,91 29.686,92 0.706,93 3.218,94 66.426,95 24.177,96 72.254,97 31.928,98 0.755,99 3.06,100 71.119,101 23.368,102 77.424,103 31.935,104 26,105 78,106 0.243,107 0.575,108 0.796,109 0.885,110 0.901,111 0.901,112 3.934,113 0.971,114 -6.72,115 -6.54,116 -6.06,118 43.2,119 2,120 4,124 6,140 10,141 6,142 1,143 2,150 1,151 1,153 2,154 1,157 2,162 2,168 16,171 3,172 16,180 19,185 2,186 18,194 13,197 2,198 26,206 16,209 2,210 14,218 19,221 4,222 12,229 25,233 5,234 11,242 19,246 1,247 14,255 16,259 18,267 13,270 6090,271 34.628,272 34.628,273 34.628,274 34.628,275 34.628,276 30.644,277 38.065,278 20.824,279 35.605,280 27.694,281 27.694,282 27.694,283 27.694,284 27.694,285 21.66,286 48.515,287 9.877,288 29.23,289 4.81,290 2.551,291 1.048,292 0.443,293 0.335,294 0.335,295 4.655,297 1,301 2052,302 4.69,305 186.834,306 568.892,307 138.181,309 154.095,310 388.796,313 2.98,314 40.155,317 0.5,318 0.17,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.47,325 106.833,326 927,327 4.76,328 4,329 7.162,330 4.355,331 3.412,332 4.506,333 2.443,334 12.583,335 3.228,336 4.392,337 3.681,338 6.619,339 4.016,340 3.03,341 3.992,342 2.373,343 10.503,344 2.988,345 4.347,346 3.588,347 6.508,348 3.918,349 2.982,350 3.986,351 0.995,352 10.225,353 2.774,354 4.211,355 3.209,356 6.326,357 3.814,358 2.87,359 3.823,360 0.795,361 9.527,362 2.698,363 3.933,364 3.187,365 5.705,366 3.568,367 2.599,368 3.48,369 0.359,370 7.861,371 2.526,372 3.655,373 2.995,374 5.525,375 3.35,376 2.373,377 2.939,378 0.286,379 7.12,380 2.297,381 3.635,382 2.842,383 5.22,384 3.282,385 2.328,386 2.853,388 6.301,389 2.204,390 3.509,391 2.624,392 5.179,393 3.058,394 2.114,395 2.825,397 6.066,398 2.003,399 3.351,400 2.426,401 5.029,402 2.942,403 2.003,404 2.554,406 5.979,407 1.86,408 3.139,409 2.206,410 4.891,411 2.798,412 1.857,413 2.296,415 5.441,416 1.738,417 3.099,418 2.069,419 4.884,420 2.707,421 1.776,422 2.272,424 5.143,425 1.653,426 2.938,427 1.996,428 4.618,429 2.676,430 1.736,431 2.059,433 4.455,434 1.608,435 2.869,436 1.87,437 4.127,438 2.48,439 1.54,440 2.02,442 3.837,443 1.446,444 2.835,445 1.828,446 4.033,447 2.455,448 1.486,449 1.934,451 3.322,452 1.419,453 2.794,454 1.738,455 3.778,456 2.35,457 1.414,458 1.836,460 3.166,461 1.253,462 24.348,463 0.487,464 1.02,465 0.02,466 63.25,467 1.265,468 30.5,469 0.61,470 32.75,471 0.655,472 56.338,473 1.127,474 52.452,475 0.596,476 55.04,477 1.101,478 12.308,479 0.246,480 12.187,481 0.244,482 0.084,484 0.32,487 0.657,488 1.234,489 0.662,490 0.985,491 0.557,492 0.924,493 0.911,494 1.06,495 0.759,496 0.87,497 0.652,498 0.861,499 1.13,500 1.023,501 0.96,502 0.919,503 0.961,504 0.89,505 1.085,506 1.085,507 1.041,508 1.04,509 1.097,510 0.957,511 1.247,512 1.12,513 1.251,514 1.162,515 1.19,516 1.035,517 0.837,518 1.02,519 0.992,520 0.999,521 0.796,522 1.059,523 0.69,524 1.115,525 1.076,526 1.139,527 0.581,528 1.157,529 0.788,530 0.92,531 0.997,532 0.954,533 0.642,534 0.994,535 7.5,536 0.328,537 4.889,538 4.014,539 2.229,540 1.817,541 1.302,542 0.795,543 0.491,544 0.4,545 52008,546 140711,547 2.154,548 43.2,549 2,550 22,552 2,554 5,555 7,558 1.852,559 2.055,560 4.061,561 -0.756,567 145.181,568 1.65,569 3.909,570 5.411,571 6.016,572 6.124,573 6.124,574 3.567,575 5.484,576 5.61,577 4.318,578 5289.72,579 9.984,580 110028,585 568.43,586 1.26,587 5.592,588 0.134,589 0.005,590 0.063,591 0.047,592 0.025,593 0.02,594 0.015,595 0.01,596 0.007,597 0.006,598 0.332,599 0.17,600 0.5,601 1.42,602 303.289,603 0.096,604 -0.105,605 0.064,606 -0.028,607 0.052,608 -0.004,609 0.035,610 0.027,611 0.085,612 0.092,613 0.064,614 0.074,615 -0.109,616 0.035,617 0.025,618 0.09,619 -0.062,620 0.069,621 -0.057,622 -0.028,623 0.034,624 0.018,625 -0.041,626 0.016,627 -0.16,628 -0.051,629 -0.173,630 -0.066,631 -0.157,632 -0.067,633 0.047,634 -0.001,635 -0.004,636 -0.006,637 -0.029,638 -0.077,639 0.055,640 -0.109,641 -0.092,642 -0.134,643 0.013,644 -0.154,645 -0.005,646 0.042,647 0.002,648 0.01,649 -0.005,650 0.022,651 1.849,652 4.657,653 0.7,654 77.864,655 1.003,656 1.121,657 5.494,658 30.189,659 0.694,660 4.043,661 4.369,662 4.691,663 5.024,664 5.288,665 5.493,666 5.743,667 5.974,668 6.155,669 6.303,670 10.511,671 0.656,672 708.35,673 4.043,674 5.595,675 6.463,676 7.357,677 8.249,678 9.157,679 10.063,680 10.981,681 11.897,682 12.821,683 8,686 1,691 1,692 2,693 3,699 12,700 3,703 1,704 11,705 1,706 28,708 1,709 1,723 1,724 88,726 31,727 2,728 56,730 94,731 38,733 23,734 4,735 8,736 2,739 7,740 13,741 1,745 2,748 1,751 4,753 26,754 12,756 3,761 1,764 2,765 3,772 38,773 9,775 12,776 2,779 7,784 0.571,785 3,795 1,801 2,802 4,803 1,805 1,806 2,819 1,828 1,832 4,834 1,836 2,837 1,840 50,846 10,848 2,851 1,856 1,859 1,861 1,862 3.4,865 1,867 2,869 24.333,870 16.71,871 11.056,872 5.645,874 5.431,875 1.541,876 1.003,877 10.913,878 15.476,879 4.304,880 4.898,881 5.503,882 6.12,883 6.621,884 6.988,885 7.471,886 7.91,887 8.321,888 8.671,889 1,890 86,891 18.489,893 7.85,894 7.606,895 35.889,897 29.836,899 2.106,900 105.278,904 447.302,905 231.794,906 91.32,907 39.149,908 47.364,910 31.278,911 200.516,912 533.814,913 91.32,914 17.65,915 27.746,916 94.762,917 116.159,918 105.066,919 1.358,920 455.037,921 39.149,922 447.302,923 291.836,924 47.364,925 70.426,927 364.904,928 129.761,931 110.285,932 131.44,933 89.26,934 31.278,935 447.302,936 138.684,937 270.942,940 447.302,941 101.286,942 135.531,944 172.809,945 447.302,946 138.684,947 270.942,949 0.573,950 0.339,951 0.194,952 0.105,953 37,954 16,955 0.138,956 13,957 3,958 1.171,959 5.701,960 564.497,961 0.171,962 35,963 282.193,964 1,968 34.387,969 15.867,970 7.672,972 136.785,973 23.842,974 13.177,977 1.804,978 11.275,979 2.168,981 856.928,982 73,987 11.657,990 9.63,991 1.468,994 88.232,995 98.624,996 0.255,997 0.605,998 0.838,999 0.931,1000 0.948,1001 0.948,1002 5.549,1003 2.114,1004 6.438,1005 6.301,1006 5.056,1007 5.587,1008 3.243,1009 7.277,1010 4.953,1011 6.748,1012 2.003,1013 8.005,1014 6.066,1015 4.575,1016 5.323,1017 2.283,1018 8.241,1019 4.412,1020 8.056,1021 1.857,1022 9.678,1023 5.979,1024 6.661,1025 7.765,1026 4.721,1027 11.413,1028 6.468,1029 9.403,1030 1.776,1031 11.419,1032 5.441,1033 7.066,1034 8.391,1035 4.278,1036 13.283,1037 6.81,1038 10.787,1039 1.736,1040 13.205,1041 5.143,1042 8.58,1043 10.263,1044 6.398,1045 15.974,1046 8.296,1047 12.198,1048 1.54,1049 15.023,1050 4.455,1051 9.403,1052 11.312,1053 6.16,1054 18.21,1055 9.056,1056 13.632,1057 1.486,1058 16.865,1059 3.837,1060 10.696,1061 12.947,1062 8.121,1063 20.755,1064 10.315,1065 3.412,1066 1.414,1067 18.725,1068 3.322,1069 11.716,1070 14.205,1071 7.993,1072 23.144,1073 11.273,1074 3.03,1075 12.583,1076 20.599,1077 3.166,1078 12.928,1079 15.738,1080 9.86,1081 25.65,1082 12.445,1083 2.982,1084 10.503,1085 22.485,1086 4.506,1087 14.039,1088 17.101,1089 9.802,1090 28.105,1091 13.497,1092 2.87,1093 10.225,1094 24.381,1095 3.992,1096 15.228,1097 18.593,1098 11.606,1099 30.607,1100 14.639,1101 2.599,1102 9.527,1103 26.284,1104 3.986,1105 16.382,1106 20.009,1107 11.599,1108 33.094,1109 15.737,1110 2.373,1111 7.861,1112 28.194,1113 3.823,1114 17.568,1115 21.488,1116 13.355,1117 35.6,1118 16.873,1119 2.328,1120 7.12,1121 30.11,1122 3.48,1123 18.745,1124 22.933,1125 13.391,1126 38.104,1127 17.993,1128 48287,1129 79619,1130 38.372,1131 61.091,1132 84.321,1133 86.833,1134 86.17,1135 83.533,1136 83.314,1137 107.899,1138 14.501,1139 239.825,1140 78.844,1141 5.707,1142 6,1143 6.991,1144 5.521,1145 5.412,1146 7.506,1147 4.816,1148 20.257,1149 5.228,1150 21.179,1151 1.506,1152 1.551,1153 1.539,1154 1.492,1155 1.488,1156 1.927,1157 0.259,1158 4.283,1159 1.408,1160 4.13,1161 4.162,1162 4.328,1163 4.084,1164 7.432,1165 4.054,1166 3.983,1167 4.014,1168 3.998,1169 3.916,1170 5.102,1171 3.914,1172 3.873,1173 3.9,1174 3.942,1175 3.828,1176 5.005,1177 3.81,1178 3.834,1179 3.887,1180 3.806,1181 3.719,1182 4.939,1183 3.722,1184 3.769,1185 3.81,1186 3.74,1187 3.608,1188 4.799,1189 3.633,1190 3.746,1191 3.788,1192 3.629,1193 3.578,1194 4.668,1195 3.577,1196 3.527,1197 3.579,1198 3.438,1199 3.299,1200 4.607,1201 3.305,1202 3.429,1203 3.488,1204 3.376,1205 3.276,1206 4.467,1207 3.273,1208 0.085,1209 0.071,1210 0.128,1211 0.078,1212 0.061,1213 4.76,1214 0.08,1215 4,1216 0.044,1217 7.162,1218 0.225,1219 4.355,1220 0.058,1221 3.412,1222 4.506,1223 2.443,1224 12.583,1225 3.228,1226 1.966,1227 1.94,1228 2.067,1229 2.061,1230 1.325,1231 2.066,1232 1.919,1233 1.899,1234 1.999,1235 1.994,1236 1.279,1237 2.001,1238 1.816,1239 1.778,1240 1.955,1241 1.948,1242 1.167,1243 1.954,1244 1.751,1245 1.716,1246 1.939,1247 1.906,1248 1.095,1249 1.918,1250 1.711,1251 1.662,1252 1.888,1253 1.863,1254 0.969,1255 1.876,1256 1.64,1257 1.602,1258 1.8,1259 1.822,1260 0.954,1261 1.811,1262 1.483,1263 1.421,1264 1.758,1265 1.741,1266 0.94,1267 1.758,1268 1.468,1269 1.415,1270 1.631,1271 1.672,1272 0.795,1273 1.662,1274 4.727,1276 6.052,1277 3.045,1278 7.569,1279 5.533,1280 9.18,1281 7.735,1282 10.845,1284 3.812,1285 6.744,1290 6.425,1292 10.786,1295 2.491,1300 57.738,1301 145.181,1302 343.98,1303 476.191,1304 529.41,1305 538.92,1306 538.92,1307 85.645,1308 10.045,1309 107.09,1310 135.33,1311 41,1312 13.329,1313 5,1314 4.17,1315 73.076,1316 319,1317 408,1318 0.11,1319 355.7,1320 619.79,1321 859.668,1322 434486,1323 1.1,1324 34.451,1325 0.689,1326 0.594,1327 35.304,1328 29.713,1329 24.496,1330 0.437,1331 0.324,1332 16.821,1333 22.889,1334 16.307,1335 13.446,1336 25.192,1337 18.124,1338 21.615,1339 0.277,1340 0.176,1341 22.601,1342 13.756,1343 18.612,1344 0.172,1345 0.096,1346 19.765,1347 10.357,1348 16.453,1349 0.109,1350 0.054,1351 17.872,1352 8.167,1353 13.426,1354 0.068,1355 0.03,1356 14.739,1357 5.88,1358 0.177,1359 160.146,1360 0.161,1361 43.158,1362 0.291,1363 268,1364 763.786,1365 331.988,1366 787.274,1367 1084.95,1368 742,1369 320,1370 777.927,1371 380.532,1372 807.391,1373 1188.24,1374 762,1375 7.187} {0 CHEMBL424139,1 1.538,2 17.553,3 2.981,4 8.889,5 144.094,6 7.204,7 0.415,8 4.359,9 4.474,10 3.886,11 3.859,12 5.452,13 3.843,14 4.91,15 5.086,16 4.188,17 4.232,18 6.008,19 4.183,20 5.161,21 5.391,22 4.186,23 4.364,24 6.136,25 4.269,26 5.184,27 5.419,28 4.161,29 4.372,30 6.16,31 4.264,32 5.188,33 5.428,34 4.127,35 4.377,36 6.106,37 4.262,38 5.178,39 5.419,40 4.109,41 4.337,42 6.15,43 4.226,44 5.113,45 5.356,46 4.085,47 4.261,48 6.092,49 4.163,50 5.024,51 5.239,52 4.101,53 4.204,54 6.071,55 4.132,56 0.054,57 1.019,58 15.371,59 6.708,60 11.98,61 8.783,62 0.476,63 1.617,64 29.439,65 10.689,66 56.114,67 14.714,68 0.595,69 1.926,70 40.084,71 14.156,72 70.425,73 19.947,74 0.631,75 1.943,76 41.185,77 14.779,78 77.205,79 20.854,80 0.477,81 1.946,82 41.316,83 15.033,84 67.485,85 21.26,86 0.535,87 1.93,88 41.104,89 14.217,90 73.272,91 20.395,92 0.536,93 1.799,94 38.73,95 13.078,96 64.303,97 18.723,98 0.458,99 1.645,100 34.851,101 12.048,102 58.717,103 16.694,104 16,105 53,106 0.239,107 0.583,108 0.763,109 0.843,110 0.868,111 0.868,112 3.667,113 0.956,114 -3.41,115 -3.39,116 -3.24,118 40.3,120 5,124 6,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 15,169 1,171 1,172 6,175 2,177 2,180 17,181 1,185 2,186 7,189 1,191 1,194 17,195 1,197 1,198 8,201 2,203 1,206 16,207 1,210 9,215 2,218 15,219 1,221 1,222 9,227 3,229 12,230 1,233 1,234 9,237 1,239 3,242 9,243 2,246 1,247 8,252 3,255 6,256 3,258 3,259 9,260 1,264 4,267 3,268 3,270 3314,271 26.087,272 26.087,273 26.087,274 26.087,275 26.087,276 23.624,277 20.38,278 16.158,279 26.524,280 20.297,281 20.297,282 20.297,283 20.297,284 20.297,285 16.559,286 20.678,287 7.746,288 20.94,289 4.631,290 2.421,291 1.259,292 0.745,293 0.583,294 0.583,295 4.364,300 1,301 1415,302 4.583,305 130.525,306 465.52,313 2.892,314 39.241,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 83,326 667,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.602,350 3.449,351 0.86,352 8.178,353 2.59,354 3.64,355 2.885,356 5.34,357 3.436,358 2.519,359 3.06,360 0.8,361 6.965,362 2.307,363 3.55,364 2.829,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.521,373 2.263,374 4.659,375 3.196,376 2.208,377 2.54,379 5.184,380 2.18,381 3.267,382 2.176,383 4.542,384 2.806,385 1.828,386 2.512,388 4.674,389 1.785,390 2.994,391 2.035,392 4.169,393 2.666,394 1.686,395 2.141,397 3.863,398 1.65,399 2.757,400 1.893,401 3.949,402 2.521,403 1.568,404 1.797,406 3.392,407 1.493,408 2.644,409 1.679,410 3.675,411 2.419,412 1.462,413 1.652,415 3.138,416 1.396,417 2.5,418 1.533,419 3.633,420 2.217,421 1.293,422 1.5,424 3.011,425 1.178,426 2.5,427 1.307,428 3.414,429 2.044,430 1.052,431 1.5,433 2.415,434 1.038,435 2.496,436 1.256,437 3.398,438 2,439 1,440 1.474,442 2.275,443 1,444 2.389,445 1.173,446 3.351,447 1.956,448 1,449 1.316,451 2.244,452 0.953,453 2.259,454 1,455 3.257,456 1.952,457 1,458 1.166,460 2.136,461 0.946,462 17.767,463 0.468,464 0.661,465 0.017,466 45,467 1.184,468 20.5,469 0.539,470 24.5,471 0.645,472 34.99,473 0.921,474 42.233,475 0.587,476 37.419,477 0.985,478 9.013,479 0.237,480 9.585,481 0.252,482 0.056,484 0.248,487 0.809,488 1.4,489 0.82,490 1.195,491 0.647,492 1.037,493 0.886,494 1.135,495 0.986,496 1.052,497 0.524,498 1.031,499 0.864,500 0.936,501 0.963,502 0.948,503 0.809,504 0.968,505 0.779,506 0.948,507 0.961,508 0.988,509 0.857,510 1.005,511 0.825,512 1.001,513 0.956,514 0.996,515 0.812,516 1.002,517 0.863,518 1.037,519 0.999,520 1.014,521 0.855,522 1.026,523 0.897,524 0.95,525 0.951,526 0.951,527 0.867,528 0.954,529 1.078,530 1.076,531 0.971,532 1.03,533 1.179,534 0.99,535 5.5,536 0.269,537 3.556,538 1.625,539 1.224,540 0.816,541 0.605,542 0.497,543 0.389,544 0.305,545 26614,546 71780,547 2.084,548 47.2,549 6,550 19,551 1,552 2,553 2,554 2,556 2,558 1.784,559 2,560 4.038,561 0.149,567 110.77,568 1.538,569 3.748,570 4.911,571 5.425,572 5.587,573 5.587,574 3.55,575 4.682,576 5.21,577 4.269,578 3001.21,579 9.166,580 54895.4,585 444.235,586 1.156,587 5.202,588 0.134,589 0.006,590 0.067,591 0.031,592 0.024,593 0.017,594 0.013,595 0.011,596 0.008,597 0.006,598 0.318,599 0.33,600 0.75,601 1.256,602 217.64,603 -0.046,604 -0.176,605 0.045,606 -0.066,607 -0.022,608 -0.006,609 0.035,610 -0.001,611 -0.051,612 -0.02,613 0.131,614 -0.045,615 -0.017,616 0.085,617 -0.003,618 0.056,619 -0.002,620 0.032,621 0.036,622 0.051,623 -0.004,624 0.023,625 -0.01,626 0.005,627 -0.06,628 -0.018,629 -0.005,630 0.024,631 -0.07,632 0.019,633 -0.051,634 -0.037,635 -0.037,636 -0.018,637 -0.046,638 -0.024,639 -0.03,640 0.053,641 0.022,642 0.03,643 -0.043,644 0.037,645 -0.066,646 -0.068,647 0.007,648 -0.026,649 -0.108,650 -0.001,651 2.437,652 5.512,653 0.605,654 62.454,655 1.004,656 1.129,657 2.179,658 4.75,659 0.649,660 3.738,661 3.989,662 4.205,663 4.407,664 4.575,665 4.615,666 4.745,667 4.86,668 4.977,669 5.063,670 10.048,671 0.619,672 518.67,673 3.738,674 5.242,675 6.057,676 6.895,677 7.729,678 8.576,679 9.42,680 10.273,681 11.125,682 11.983,683 5.6,686 1,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 72,726 20,727 1,728 41,730 75,731 29,733 14,734 2,735 4,736 3,739 4,740 4,751 5,753 18,754 11,756 3,761 2,763 1,765 3,772 34,773 9,774 2,775 9,779 4,784 1,785 5,789 1,795 1,801 1,802 3,818 1,822 1,823 1,828 1,830 1,831 1,832 4,840 38,845 1,846 11,847 1,848 1,851 1,862 6.9,864 1,865 2,866 1,867 1,869 19,870 12.55,871 8.611,872 4.521,874 3.022,875 1.379,876 0.948,877 10.634,878 11.006,879 3.98,880 4.469,881 4.976,882 5.491,883 5.941,884 6.228,885 6.647,886 7.012,887 7.398,888 7.746,889 0.917,890 52,891 14.08,893 5.853,894 7.798,895 26.977,897 21.674,899 2.298,900 87.333,904 376.675,905 152.582,906 54.706,908 113.48,911 152.582,912 490.156,913 54.706,915 48.291,916 78.073,917 171.721,918 46.226,919 11.771,920 341.362,922 376.675,923 207.288,924 113.48,927 353.133,928 126.023,929 11,931 77.287,932 86.954,933 43.047,935 376.675,936 168.187,937 152.582,940 376.675,941 56.414,942 99.292,943 18.011,944 147.051,945 376.675,946 168.187,947 152.582,949 0.56,950 0.312,951 0.164,952 0.087,953 21,954 9,955 0.173,956 13,958 1,959 5.081,960 338.153,962 23,963 191.421,968 27.716,969 14.58,970 8.616,972 168.187,973 16.641,974 8.632,976 5.603,978 3.405,980 60.694,981 697.444,982 52.5,987 23.289,989 2.126,991 0.015,994 72.298,995 81.268,996 0.249,997 0.608,998 0.796,999 0.879,1000 0.905,1001 0.905,1002 5.183,1003 1.686,1004 5.989,1005 4.674,1006 4.673,1007 5.156,1008 2.656,1009 6.713,1010 4.62,1011 6.332,1012 1.568,1013 7.488,1014 3.863,1015 4.007,1016 4.705,1017 2.283,1018 7.466,1019 3.959,1020 7.594,1021 1.462,1022 9.093,1023 3.392,1024 6.172,1025 7.209,1026 3.731,1027 10.554,1028 6.081,1029 8.894,1030 1.293,1031 10.765,1032 3.138,1033 6.399,1034 7.664,1035 4.117,1036 12.22,1037 6.321,1038 10.231,1039 1.052,1040 12.483,1041 3.011,1042 7.955,1043 9.578,1044 5.223,1045 14.784,1046 7.839,1047 11.595,1048 1,1049 14.233,1050 2.415,1051 8.611,1052 10.465,1053 5.89,1054 16.81,1055 8.507,1056 12.979,1057 1,1058 16.006,1059 2.275,1060 9.902,1061 12.116,1062 6.853,1063 19.199,1064 9.771,1065 3.042,1066 1,1067 17.796,1068 2.244,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.652,1074 2.941,1075 10.188,1076 19.598,1077 2.136,1078 11.948,1079 14.749,1080 8.526,1081 23.702,1082 11.805,1083 2.602,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.791,1092 2.519,1093 8.178,1094 23.229,1095 3.89,1096 14.052,1097 17.438,1098 10.216,1099 28.251,1100 13.9,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.936,1110 2.208,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.029,1119 1.828,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.091,1128 25485,1129 42019,1130 27.909,1131 46.716,1132 60.232,1133 61.361,1134 60.457,1135 59.539,1136 59.532,1137 75.194,1138 10.118,1139 157.801,1140 57.837,1141 5.411,1142 5.596,1143 6.304,1144 5.139,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.489,1151 1.469,1152 1.497,1153 1.475,1154 1.452,1155 1.452,1156 1.834,1157 0.247,1158 3.849,1159 1.411,1160 4.045,1161 4.068,1162 4.003,1163 3.968,1164 7.474,1165 3.97,1166 3.89,1167 3.92,1168 3.849,1169 3.757,1170 7.429,1171 3.772,1172 3.828,1173 3.888,1174 3.711,1175 3.637,1176 6.351,1177 3.649,1178 3.734,1179 3.779,1180 3.663,1181 3.592,1182 5.149,1183 3.596,1184 3.716,1185 3.756,1186 3.596,1187 3.552,1188 4.916,1189 3.565,1190 3.545,1191 3.606,1192 3.417,1193 3.348,1194 4.662,1195 3.351,1196 3.449,1197 3.484,1198 3.339,1199 3.285,1200 4.627,1201 3.289,1202 3.209,1203 3.251,1204 3.112,1205 2.992,1206 4.232,1207 3.01,1208 0.108,1209 0.088,1210 0.159,1211 0.098,1212 0.074,1213 4.411,1214 0.099,1215 3.596,1216 0.057,1217 6.502,1218 0.248,1219 4.036,1220 0.074,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.799,1233 1.767,1234 1.985,1235 2,1236 1.298,1237 1.999,1238 1.765,1239 1.701,1240 1.955,1241 1.911,1242 1.163,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 1.092,1249 1.899,1250 1.589,1251 1.542,1252 1.814,1253 1.834,1254 0.963,1255 1.823,1256 1.433,1257 1.396,1258 1.644,1259 1.632,1260 0.835,1261 1.628,1262 1.408,1263 1.368,1264 1.548,1265 1.616,1266 0.825,1267 1.603,1268 1.184,1269 1.164,1270 1.513,1271 1.45,1272 0.609,1273 1.429,1274 4.419,1276 5.687,1277 2.398,1278 7.138,1279 4.595,1280 8.672,1281 6.605,1282 10.253,1289 8.86,1290 8.155,1291 2.915,1292 5.358,1295 2.335,1300 44.562,1301 110.77,1302 269.888,1303 353.605,1304 390.625,1305 402.235,1306 402.235,1307 81.953,1308 7.983,1309 117.79,1310 117.79,1311 23,1312 12.537,1313 4.392,1314 3.644,1315 67.897,1316 228,1317 242,1318 0.141,1319 274.332,1320 487.03,1321 661.13,1322 38427,1324 26.581,1325 0.699,1326 0.565,1327 26.581,1328 21.474,1329 18.597,1330 0.454,1331 0.319,1332 12.873,1333 17.804,1334 12.67,1335 10.461,1336 18.597,1337 13.069,1338 15.868,1339 0.299,1340 0.173,1341 15.868,1342 9.178,1343 12.728,1344 0.193,1345 0.097,1346 12.728,1347 6.386,1348 10.181,1349 0.126,1350 0.053,1351 10.181,1352 4.314,1353 7.889,1354 0.082,1355 0.03,1356 7.889,1357 2.851,1358 0.231,1359 117.199,1360 0.189,1361 35.648,1362 0.36,1363 188,1364 590.36,1365 208.418,1366 557.216,1367 744.62,1368 522,1369 213,1370 525.035,1371 232.538,1372 527.158,1373 764.67,1374 496,1375 7.294} {0 CHEMBL424160,1 1.655,2 7.308,3 3.794,4 14.397,5 107.773,6 8.726,7 0.533,8 3.918,9 4.032,10 3.681,11 3.563,12 4.964,13 3.513,14 4.474,15 4.641,16 4.138,17 4.003,18 5.461,19 3.934,20 4.714,21 4.902,22 4.305,23 4.19,24 5.699,25 4.099,26 4.762,27 4.93,28 4.388,29 4.259,30 5.776,31 4.153,32 4.737,33 4.9,34 4.255,35 4.246,36 5.701,37 4.139,38 4.859,39 5.034,40 4.357,41 4.31,42 5.828,43 4.175,44 4.927,45 5.162,46 4.01,47 4.165,48 5.843,49 3.991,50 4.773,51 5.082,52 3.398,53 3.753,54 5.586,55 3.503,56 0.041,57 0.702,58 7.488,59 3.845,60 7.295,61 4.774,62 0.151,63 1.2,64 17.108,65 7.036,66 14.622,67 8.83,68 0.272,69 1.499,70 27.02,71 9.457,72 25.103,73 11.316,74 0.292,75 1.588,76 30.301,77 10.204,78 26.724,79 11.914,80 0.203,81 1.526,82 28.237,83 10.434,84 18.277,85 12.016,86 0.263,87 1.617,88 34.039,89 11.74,90 24.374,91 13.976,92 0.374,93 1.614,94 38.405,95 12.591,96 42.106,97 16.169,98 0.438,99 1.266,100 38.748,101 11.331,102 47.402,103 15.16,104 10,105 45,106 0.284,107 0.663,108 0.829,109 0.868,110 0.876,111 0.876,112 3.307,113 0.995,114 -5.72,115 -5.58,116 -5.2,118 43.2,119 2,120 1,124 2,126 1,140 4,141 3,142 1,150 1,151 1,153 1,157 2,162 1,168 6,171 2,172 7,177 1,180 10,185 2,186 6,191 2,194 7,197 1,198 12,203 1,206 11,210 6,213 1,218 11,222 7,225 1,227 1,229 13,234 5,237 2,239 2,242 4,247 4,252 4,255 3,259 1,264 1,267 1,270 868,271 17.845,272 17.845,273 17.845,274 17.845,275 17.845,276 15.725,277 24.511,278 10.263,279 18.415,280 14.815,281 14.815,282 14.815,283 14.815,284 14.815,285 11.482,286 36.628,287 4.853,288 15.839,289 3.804,290 1.593,291 0.625,292 0.398,293 0.352,294 0.352,295 4.018,297 1,298 1,299 1,300 1,301 426,302 2.345,305 63.525,306 98.471,307 44.593,309 59.436,310 129.337,313 0.947,314 17.152,317 0.75,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.86,325 54.833,326 190,327 4.775,328 3.62,329 7.188,330 4.373,331 3.431,332 4.517,333 0.795,334 12.677,335 3.242,336 4.36,337 3.226,338 6.686,339 3.952,340 3.008,341 4,342 0.657,343 10.732,344 2.828,345 4.222,346 3.152,347 6.349,348 3.804,349 2.861,350 3.834,352 9.594,353 2.684,354 3.648,355 2.737,356 5.727,357 3.274,358 2.338,359 2.962,361 7.417,362 2.182,363 3.448,364 2.526,365 5.554,366 3.136,367 2.195,368 2.647,370 6.941,371 2.044,372 3.157,373 2.081,374 4.976,375 2.723,376 1.812,377 2.356,379 5.293,380 1.638,381 2.879,382 1.923,383 4.666,384 2.488,385 1.548,386 2.033,388 4.527,389 1.437,390 2.848,391 1.65,392 4.184,393 2.351,394 1.414,395 1.961,397 3.386,398 1.288,399 2.64,400 1.626,401 3.893,402 2.317,403 1.387,404 1.655,406 3.024,407 1.25,408 2.503,409 1.348,410 3.78,411 2.169,412 1.217,413 1.503,415 2.972,416 1.151,417 2.325,418 1.104,419 3.596,420 1.956,421 0.991,422 1.274,424 2.542,425 0.954,426 2.045,427 0.768,428 3.58,429 1.597,430 0.684,431 0.904,433 1.906,434 0.613,435 1.692,436 0.66,437 3.278,438 1.335,439 0.414,440 0.513,442 1.084,443 0.374,444 1.126,445 0.359,446 2.77,447 0.675,448 -0.206,449 -0.252,451 -0.476,452 -0.146,453 0.878,454 0.035,455 2.493,456 0.577,457 -0.313,458 -0.356,460 -0.804,461 -0.275,462 13.048,463 0.502,464 0.696,465 0.027,466 33,467 1.269,468 15.5,469 0.596,470 17.5,471 0.673,472 26.143,473 1.005,474 26.552,475 0.603,476 21.861,477 0.841,478 6.106,479 0.235,480 6.542,481 0.252,482 0.131,484 0.414,487 0.706,488 1.15,489 0.605,490 0.827,491 0.674,492 0.817,493 0.787,494 1.038,495 0.631,496 0.775,497 0.678,498 0.751,499 1.09,500 0.944,501 0.909,502 0.838,503 0.905,504 0.771,505 1.053,506 1.148,507 1.124,508 1.141,509 0.987,510 0.976,511 1.062,512 1.128,513 1.183,514 1.186,515 0.965,516 1.054,517 1.025,518 1.171,519 1.123,520 1.204,521 1.087,522 1.218,523 1.106,524 1.095,525 1.205,526 1.187,527 1.249,528 1.285,529 1.057,530 0.862,531 1.049,532 0.98,533 1.15,534 1.116,535 4,537 3.333,538 2.542,539 1.999,540 1.421,541 0.84,542 0.347,543 0.147,544 0.016,545 6782,546 18015,547 2.192,548 40.9,550 9,553 1,554 3,555 5,558 1.704,559 2.053,560 2.836,561 -0.294,563 1,567 72.836,568 1.655,569 3.866,570 4.834,571 5.061,572 5.107,573 5.107,574 2.162,575 4.393,576 4.675,577 2.966,578 964.058,579 8.172,580 11301.6,582 1,584 1,585 240.215,586 1.399,587 4.635,588 0.133,590 0.074,591 0.05,592 0.038,593 0.028,594 0.018,595 0.011,596 0.01,597 0.005,598 0.368,599 0.33,600 0.75,601 0.54,602 120.875,603 0.048,604 -0.049,605 0.047,606 0.026,607 0.002,608 0.028,609 0.086,610 0.032,611 0.144,612 0.133,613 0.079,614 0.145,615 -0.061,616 0.133,617 0.051,618 0.152,619 0.025,620 0.151,621 -0.031,622 -0.058,623 -0.045,624 -0.069,625 0.006,626 -0.046,627 -0.159,628 -0.053,629 -0.196,630 -0.142,631 -0.12,632 -0.125,633 -0.061,634 -0.163,635 -0.112,636 -0.214,637 -0.124,638 -0.275,639 -0.052,640 -0.183,641 -0.194,642 -0.261,643 -0.106,644 -0.295,645 0.015,646 -0.033,647 -0.017,648 -0.041,649 0.015,650 -0.048,651 1.417,652 2.456,653 0.885,654 17.107,655 1.002,656 1.12,657 4.487,658 20.134,659 0.724,660 3.434,661 3.829,662 4.22,663 4.605,664 4.905,665 5.147,666 5.38,667 5.583,668 5.694,669 5.74,670 4.706,671 0.677,672 383.94,673 3.434,674 5.017,675 5.927,676 6.86,677 7.792,678 8.735,679 9.676,680 10.623,681 11.569,682 12.518,683 11.4,685 1,691 1,692 1,693 2,699 4,700 2,703 1,704 8,705 1,706 16,708 1,723 1,724 44,726 17,727 1,728 30,730 48,731 19,733 12,734 2,735 4,736 1,739 5,740 11,741 1,745 2,748 2,751 2,753 13,754 6,756 1,764 1,765 1,769 1,772 18,773 4,774 1,775 7,776 2,779 5,784 0.4,801 2,802 2,803 1,805 1,806 2,826 1,832 2,834 1,836 2,837 1,840 26,846 3,847 1,850 1,856 1,859 1,861 1,869 12.667,870 8.776,871 5.528,872 2.817,874 3.372,875 1.412,876 1.047,877 3.907,878 11.546,879 3.689,880 4.357,881 5.04,882 5.708,883 6.215,884 6.679,885 7.159,886 7.61,887 8.007,888 8.308,889 0.8,890 51,891 9.61,893 4.215,894 7.511,895 18.833,897 16.335,899 2.011,900 52.278,903 1,904 200.109,905 116.337,906 70.021,907 39.149,910 31.278,911 85.059,912 239.257,913 70.021,914 17.65,915 6.746,916 55.916,917 40.739,918 32.672,919 1.358,920 231.386,921 39.149,922 200.109,923 155.081,925 70.426,927 141.253,928 58.856,931 66.677,932 55.077,933 72.475,934 31.278,935 200.109,936 70.021,937 155.486,940 200.109,941 60.782,942 57.454,943 18.011,944 89.26,945 200.109,946 70.021,947 155.486,949 0.595,950 0.369,951 0.219,952 0.125,953 26,954 11,955 0.021,956 1,957 3,958 1.261,959 3.574,960 256.354,961 0.261,962 23,963 120.211,964 1,968 16.459,969 6.172,970 2.48,972 68.122,973 7.965,974 8.736,977 1.815,978 8.621,979 2.177,980 18.011,981 425.616,982 39,990 5.079,991 0.974,994 44.094,995 49.262,996 0.303,997 0.708,998 0.885,999 0.927,1000 0.935,1001 0.935,1002 4.97,1003 1.414,1004 5.943,1005 4.527,1006 4.511,1007 5.043,1008 1.14,1009 6.862,1010 4.379,1011 6.207,1012 1.387,1013 7.564,1014 3.386,1015 4.205,1016 4.945,1018 7.958,1019 3.994,1020 7.549,1021 1.217,1022 9.289,1023 3.024,1024 6.196,1025 7.306,1026 0.776,1027 11.156,1028 5.952,1029 8.933,1030 0.991,1031 11.076,1032 2.972,1033 6.746,1034 8.081,1036 13.107,1037 6.424,1038 10.353,1039 0.684,1040 12.902,1041 2.542,1042 8.215,1043 9.894,1044 0.51,1045 15.829,1046 7.859,1047 11.799,1048 0.414,1049 14.756,1050 1.906,1051 9.139,1052 11.056,1054 18.115,1055 8.71,1056 13.266,1057 -0.206,1058 16.63,1059 1.084,1060 10.423,1061 12.66,1062 0.328,1063 20.689,1064 9.953,1065 3.431,1066 -0.313,1067 18.518,1068 -0.476,1069 11.507,1070 13.996,1072 23.111,1073 10.971,1074 3.008,1075 12.677,1076 20.418,1077 -0.804,1078 12.729,1079 15.519,1080 0.208,1081 25.641,1082 12.146,1083 2.861,1084 10.732,1085 22.327,1086 4.517,1087 13.883,1088 16.933,1090 28.121,1091 13.238,1092 2.338,1093 9.594,1094 24.243,1095 4,1096 15.089,1097 18.428,1098 0.131,1099 30.642,1100 14.393,1101 2.195,1102 7.417,1103 26.166,1104 3.834,1105 16.274,1106 19.879,1108 33.148,1109 15.519,1110 1.812,1111 6.941,1112 28.093,1113 2.962,1114 17.481,1115 21.366,1116 0.083,1117 35.67,1118 16.672,1119 1.548,1120 5.293,1121 30.026,1122 2.647,1123 18.681,1124 22.837,1126 38.189,1127 17.816,1128 6324,1129 10446,1130 20.403,1131 31.864,1132 47.281,1133 47.234,1134 48.916,1135 46.769,1136 46.602,1137 60.318,1138 2.905,1139 144.189,1140 43.37,1141 5.721,1142 5.62,1143 6.872,1144 5.532,1145 5.431,1146 7.517,1147 1.59,1148 20.39,1149 5.242,1150 10.652,1151 1.576,1152 1.574,1153 1.631,1154 1.559,1155 1.553,1156 2.011,1157 0.097,1158 4.806,1159 1.446,1160 4.121,1161 4.153,1162 4.326,1163 4.076,1164 5.098,1165 4.045,1166 3.871,1167 3.9,1168 3.997,1169 3.826,1170 4.941,1171 3.808,1172 3.804,1173 3.859,1174 3.813,1175 3.632,1176 4.632,1177 3.652,1178 3.444,1179 3.52,1180 3.393,1181 3.263,1182 4.412,1183 3.268,1184 3.334,1185 3.392,1186 3.354,1187 3.213,1188 4.321,1189 3.178,1190 3.075,1191 3.15,1192 3.278,1193 2.98,1194 4.046,1195 2.937,1196 2.971,1197 3.073,1198 3.013,1199 2.808,1200 3.793,1201 2.785,1202 2.914,1203 3.002,1204 2.774,1205 2.775,1206 3.751,1207 2.757,1208 0.159,1209 0.121,1210 0.24,1211 0.146,1212 0.114,1213 4.775,1214 0.151,1215 3.62,1216 0.026,1217 7.188,1218 0.423,1219 4.373,1220 0.108,1221 3.431,1222 4.517,1223 0.795,1224 12.677,1225 3.242,1226 1.922,1227 1.902,1228 2.004,1229 1.998,1230 1.267,1231 2.007,1232 1.774,1233 1.734,1234 1.931,1235 1.915,1236 1.1,1237 1.931,1238 1.67,1239 1.626,1240 1.826,1241 1.851,1242 1.039,1243 1.846,1244 1.542,1245 1.495,1246 1.722,1247 1.726,1248 0.861,1249 1.732,1250 1.325,1251 1.266,1252 1.467,1253 1.497,1254 0.725,1255 1.508,1256 1.105,1257 1.051,1258 1.379,1259 1.276,1260 0.624,1261 1.324,1262 0.966,1263 0.872,1264 1.222,1265 1.257,1266 0.368,1267 1.265,1268 0.871,1269 0.824,1270 1.122,1271 1.057,1272 0.27,1273 1.094,1274 4.111,1276 5.485,1277 3.045,1278 7.055,1279 5.533,1280 8.717,1281 7.751,1282 10.429,1284 4.075,1285 6.567,1290 2.875,1291 3.477,1294 -0.084,1300 29.809,1301 72.836,1302 170.109,1303 212.705,1304 222.705,1305 224.705,1306 224.705,1307 31.867,1308 8.175,1309 55.1,1310 83.34,1311 29,1312 13.008,1313 4.17,1314 3.322,1315 33.372,1316 73,1317 72,1318 0.231,1319 186.074,1320 310.36,1321 445.781,1322 38747,1323 2.3,1324 17.836,1325 0.686,1326 0.621,1327 18.69,1328 16.156,1329 12.648,1330 0.422,1331 0.332,1332 8.766,1333 11.572,1334 8.407,1335 6.902,1336 13.345,1337 9.949,1338 11.784,1339 0.262,1340 0.182,1341 12.77,1342 8.176,1343 10.73,1344 0.16,1345 0.098,1346 11.901,1347 6.571,1348 9.777,1349 0.099,1350 0.054,1351 11.152,1352 5.395,1353 8.295,1354 0.062,1355 0.03,1356 9.59,1357 4.086,1358 0.337,1359 85.462,1360 0.221,1361 23.78,1362 0.73,1363 150,1364 381.977,1365 201.773,1366 428.271,1367 601.91,1368 404,1369 187,1370 431.885,1371 235.727,1372 461.666,1373 693.28,1374 438,1375 6} {0 CHEMBL42424,1 1.718,2 7.842,3 2.75,4 7.565,5 75.484,6 8.785,7 0.714,8 3.562,9 3.65,10 3.328,11 3.206,12 4.763,13 3.165,14 4.04,15 4.177,16 3.732,17 3.619,18 5.302,19 3.547,20 4.17,21 4.306,22 3.746,23 3.694,24 5.268,25 3.581,26 4.293,27 4.484,28 3.504,29 3.633,30 5.364,31 3.506,32 4.161,33 4.35,34 3.324,35 3.424,36 5.352,37 3.335,38 4.092,39 4.303,40 3.19,41 3.272,42 5.217,43 3.161,44 3.825,45 4.085,46 3.003,47 3.032,48 4.778,49 2.901,50 3.52,51 3.676,52 2.903,53 2.814,54 4.762,55 2.683,56 0.049,57 0.436,58 5.114,59 2.862,60 7.801,61 3.089,62 0.232,63 0.732,64 10.475,65 4.803,66 31.54,67 5.334,68 0.138,69 0.792,70 14.049,71 6.366,72 14.651,73 6.869,74 0.172,75 0.892,76 20.809,77 7.737,78 19.935,79 8.593,80 0.226,81 0.719,82 13.087,83 5.587,84 36.992,85 6.475,86 0.217,87 0.706,88 15.453,89 5.54,90 32.473,91 6.353,92 0.181,93 0.547,94 12.25,95 4.312,96 25.57,97 5.279,98 0.225,99 0.414,100 9.572,101 3.225,102 21.123,103 3.186,104 11,105 30,106 0.32,107 0.718,108 0.853,109 0.881,110 0.881,111 0.881,112 3.011,113 0.954,114 -3.52,115 -3.5,116 -3.34,118 45.2,119 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,171 1,172 1,175 1,180 9,181 2,186 4,191 2,194 8,195 2,198 5,203 2,206 4,207 2,210 5,215 2,218 1,219 2,222 6,227 2,234 1,235 1,246 1,247 2,250 1,260 1,270 374,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 13.084,278 7.42,279 13.058,280 10.363,281 10.363,282 10.363,283 10.363,284 10.363,285 7.439,286 17.351,287 3.532,288 10.946,289 3.236,290 1.093,291 0.371,292 0.218,293 0.218,294 0.218,295 3.685,298 1,299 1,300 1,301 321,302 2.646,305 89.311,306 45.496,309 71.209,313 1.341,314 16.759,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41,326 149,327 4.658,328 3.634,329 6.774,330 4.177,331 3.222,332 4.608,333 1.437,334 11.037,335 3.075,336 4.023,337 3.116,338 5.88,339 3.63,340 2.676,341 3.55,342 0.522,343 8.065,344 2.558,345 3.846,346 2.827,347 5.533,348 3.385,349 2.432,350 3.339,352 7.377,353 2.294,354 3.477,355 2.308,356 5.004,357 3.037,358 2.062,359 2.822,361 5.935,362 1.997,363 3.244,364 1.993,365 4.95,366 2.749,367 1.803,368 2.546,370 5.263,371 1.684,372 2.688,373 1.544,374 4.037,375 2.146,376 1.205,377 1.695,379 3.024,380 1.116,381 2.579,382 1.227,383 3.446,384 2.075,385 1.126,386 1.598,388 2.558,389 1.061,390 2.175,391 0.919,392 3.37,393 1.637,394 0.728,395 1.028,397 1.804,398 0.642,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.285,409 0.463,410 2.759,411 0.935,412 -0.02,413 -0.025,415 -0.052,416 -0.019,417 0.751,418 0.223,419 2.379,420 0.392,421 -0.548,422 -0.672,424 -1.429,425 -0.5,426 0.658,427 -0.308,428 2.245,429 0.164,430 -0.822,431 -1.176,433 -2,434 -0.805,435 0.465,436 -0.779,437 2.086,438 -0.002,439 -1,440 -1.302,442 -2.516,443 -0.944,444 0.266,445 -0.925,446 1.66,447 -0.141,448 -1.065,449 -1.471,451 -2.873,452 -1.02,453 -0.093,454 -1.317,455 1.377,456 -0.526,457 -1.492,458 -1.917,460 -3.601,461 -1.387,462 9.3,463 0.489,464 0.524,465 0.028,466 25.75,467 1.355,468 13.5,469 0.711,470 12.25,471 0.645,472 13.375,473 0.704,474 19.5,475 0.629,476 15.835,477 0.833,478 5.082,479 0.267,480 4.065,481 0.214,482 0.125,484 0.366,487 0.797,488 1.119,489 0.698,490 0.826,491 0.709,492 0.804,493 0.584,494 0.694,495 0.771,496 0.669,497 0.372,498 0.7,499 0.617,500 1.128,501 1.049,502 1.249,503 0.689,504 1.177,505 0.755,506 1.137,507 1.357,508 1.361,509 0.651,510 1.18,511 1.232,512 1.01,513 0.811,514 0.873,515 1.285,516 1.068,517 1.13,518 1.191,519 1.065,520 1.135,521 1.154,522 1.146,523 0.896,524 0.705,525 0.701,526 0.603,527 0.794,528 0.683,529 1.249,530 1.257,531 1.584,532 1.386,533 1.596,534 1.267,535 4,536 0.04,537 2,538 1.799,539 0.973,540 0.421,541 0.395,542 0.181,543 0.13,544 0.055,545 3247,546 10547,547 2.081,548 38.7,549 3,550 5,551 1,552 2,553 1,558 1.602,559 1.932,560 2.985,561 -0.249,563 1,565 1,567 53.258,568 1.718,569 3.861,570 4.583,571 4.736,572 4.736,573 4.736,574 2.484,575 3.827,576 4.218,577 3.13,578 535.313,579 7.181,580 5162.95,581 1,582 1,583 1,584 1,585 153.58,586 1.462,587 4.171,588 0.19,589 0.01,590 0.067,591 0.067,592 0.041,593 0.021,594 0.025,595 0.014,596 0.013,597 0.009,598 0.456,599 0.67,600 1,601 0.868,602 81.817,603 -0.088,604 -0.099,605 0.044,606 0.056,607 -0.092,608 0.037,609 0.145,610 0.38,611 0.117,612 0.277,613 0.226,614 0.191,615 0.024,616 -0.155,617 -0.036,618 -0.198,619 -0.046,620 -0.215,621 -0.027,622 -0.171,623 -0.233,624 -0.275,625 0.042,626 -0.154,627 -0.167,628 -0.132,629 -0.07,630 -0.05,631 -0.132,632 -0.117,633 -0.106,634 -0.262,635 -0.105,636 -0.194,637 -0.111,638 -0.152,639 -0.038,640 0.251,641 0.292,642 0.348,643 -0.017,644 0.377,645 0.075,646 -0.217,647 -0.283,648 -0.226,649 -0.243,650 -0.318,651 2.519,652 4.131,653 0.737,654 13.74,655 1.011,656 1.11,657 2.29,658 5.245,659 0.722,660 3.091,661 3.434,662 3.714,663 3.989,664 4.111,665 4.19,666 4.304,667 4.407,668 4.357,669 4.304,670 4.841,671 0.687,672 272.35,673 3.091,674 4.635,675 5.493,676 6.382,677 7.261,678 8.155,679 9.042,680 9.939,681 10.831,682 11.729,683 6.5,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,724 31,726 16,727 1,728 21,730 33,731 14,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,836 1,840 19,845 1,846 1,856 1,862 6.5,864 1,865 1,869 9.833,870 5.933,871 4.111,872 1.722,874 2.871,875 1.435,876 0.988,877 3.109,878 9.474,879 3.418,880 4.086,881 4.718,882 5.359,883 5.804,884 6.193,885 6.616,886 7.046,887 7.189,888 7.419,889 1,890 27,891 6.993,893 3,894 7.886,895 13.223,897 10.918,899 2.386,900 45.333,901 0.001,904 129.482,905 109.309,906 18.685,908 67.828,910 31.278,911 78.031,912 197.31,913 18.685,914 8.825,915 2.106,916 37.476,917 117.684,918 19.891,919 13.875,920 125.447,922 129.482,923 96.716,924 67.828,925 31.278,927 129.482,928 67.828,931 30.496,932 49.434,933 16.786,934 31.278,935 129.482,936 86.513,937 109.309,940 129.482,941 45.342,942 65.866,944 84.614,945 129.482,946 86.513,947 109.309,949 0.589,950 0.345,951 0.188,952 0.091,953 16,954 7,955 0.091,956 3,957 1,958 1.143,959 3.156,960 141.744,961 0.143,962 14,963 80.711,964 1,968 12.363,969 4.779,970 2.281,971 2.046,972 84.614,973 11.515,974 4.013,977 1.33,978 2.415,979 1.987,980 42.683,981 325.304,982 29.5,987 11.131,991 -0.852,994 31.353,995 34.411,996 0.347,997 0.779,998 0.925,999 0.956,1000 0.956,1001 0.956,1002 4.642,1003 0.728,1004 5.493,1005 2.558,1006 4.111,1007 4.771,1008 1.736,1009 6.323,1010 4.007,1011 5.882,1012 0.618,1013 7.066,1014 1.804,1015 3.761,1016 4.677,1018 7.248,1019 3.625,1020 7.209,1021 -0.02,1022 8.738,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.363,1028 5.527,1029 8.576,1030 -0.548,1031 10.468,1032 -0.052,1033 6.196,1034 7.838,1036 12.132,1037 5.957,1038 9.975,1039 -0.822,1040 12.236,1041 -1.429,1042 7.636,1043 9.682,1044 2.925,1045 14.771,1046 7.354,1047 11.398,1048 -1,1049 14.031,1050 -2,1051 8.483,1052 10.856,1054 16.9,1055 8.148,1056 12.84,1057 -1.065,1058 15.846,1059 -2.516,1060 9.732,1061 12.494,1062 3.619,1063 19.381,1064 9.358,1065 3.222,1066 -1.492,1067 17.676,1068 -2.873,1069 10.749,1070 13.86,1072 21.667,1073 10.322,1074 2.676,1075 11.037,1076 19.52,1077 -3.601,1078 11.93,1079 15.421,1080 4.33,1081 24.094,1082 11.464,1083 2.432,1084 8.065,1085 21.374,1086 4.608,1087 13.025,1088 16.875,1090 26.446,1091 12.507,1092 2.062,1093 7.377,1094 23.238,1095 3.55,1096 14.187,1097 18.41,1098 5.047,1099 28.854,1100 13.626,1101 1.803,1102 5.935,1103 25.109,1104 3.339,1105 15.317,1106 19.904,1108 31.234,1109 14.707,1110 1.205,1111 5.263,1112 26.986,1113 2.822,1114 16.476,1115 21.43,1116 5.769,1117 33.637,1118 15.822,1119 1.126,1120 3.024,1121 28.869,1122 2.546,1123 17.623,1124 22.942,1126 36.028,1127 16.921,1128 3184,1129 5835,1130 13.929,1131 22.375,1132 32.327,1133 32.518,1134 32.559,1135 31.721,1136 31.745,1137 44.224,1138 3.916,1139 92.869,1140 30.012,1141 5.428,1142 5.634,1143 6.389,1144 5.291,1145 5.222,1146 7.608,1147 2.873,1148 18.25,1149 5.075,1150 8.918,1151 1.539,1152 1.548,1153 1.55,1154 1.511,1155 1.512,1156 2.106,1157 0.186,1158 4.422,1159 1.429,1160 4.113,1161 4.125,1162 4.346,1163 4.13,1164 7.475,1165 4.083,1166 3.889,1167 3.946,1168 3.865,1169 3.703,1170 6.351,1171 3.723,1172 3.521,1173 3.54,1174 3.523,1175 3.424,1176 4.966,1177 3.415,1178 3.186,1179 3.212,1180 3.168,1181 3.011,1182 4.803,1183 2.959,1184 3.072,1185 3.125,1186 3.062,1187 2.879,1188 4.164,1189 2.923,1190 2.784,1191 2.863,1192 2.697,1193 2.629,1194 3.8,1195 2.598,1196 2.644,1197 2.701,1198 2.55,1199 2.491,1200 3.498,1201 2.45,1202 2.462,1203 2.561,1204 2.264,1205 2.267,1206 3.49,1207 2.246,1208 0.222,1209 0.173,1210 0.323,1211 0.199,1212 0.153,1213 4.658,1214 0.219,1215 3.634,1216 0.068,1217 6.774,1218 0.526,1219 4.177,1220 0.146,1221 3.222,1222 4.608,1223 1.437,1224 11.037,1225 3.075,1226 1.96,1227 1.941,1228 2.043,1229 2.027,1230 1.246,1231 2.038,1232 1.6,1233 1.594,1234 1.747,1235 1.761,1236 0.923,1237 1.756,1238 1.515,1239 1.464,1240 1.623,1241 1.667,1242 0.808,1243 1.677,1244 1.296,1245 1.231,1246 1.465,1247 1.525,1248 0.459,1249 1.513,1250 1.099,1251 1.06,1252 1.248,1253 1.392,1254 0.342,1255 1.366,1256 0.908,1257 0.878,1258 1.141,1259 1.089,1260 0.211,1261 1.126,1262 0.803,1263 0.73,1264 1.073,1265 0.986,1266 0.136,1267 1.027,1268 0.484,1269 0.44,1270 0.74,1271 0.689,1273 0.765,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.203,1281 7.413,1282 9.85,1284 1.864,1289 9.141,1290 0.744,1300 21.294,1301 53.258,1302 119.706,1303 142.07,1304 146.825,1305 146.825,1306 146.825,1307 26.391,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.254,1313 4.087,1314 3.248,1315 27.852,1316 56,1317 46,1318 0.259,1319 135.103,1320 220.59,1321 321.412,1322 5395,1324 13.405,1325 0.706,1326 0.587,1327 13.759,1328 11.146,1329 9.148,1330 0.436,1331 0.318,1332 5.857,1333 8.397,1334 5.605,1335 4.654,1336 9.556,1337 6.676,1338 8.492,1339 0.283,1340 0.183,1341 9.108,1342 5.479,1343 7.08,1344 0.177,1345 0.11,1346 8.043,1347 4.38,1348 5.988,1349 0.113,1350 0.06,1351 6.855,1352 3.19,1353 4.275,1354 0.071,1355 0.035,1356 5.07,1357 2.105,1358 0.395,1359 61.237,1360 0.268,1361 18.869,1362 0.737,1363 102,1364 312.036,1365 135.576,1366 324.808,1367 438.99,1368 302,1369 121,1370 302.339,1371 154.677,1372 325.575,1373 475.48,1374 304,1375 7.538} {0 CHEMBL42440,1 1.779,2 9.45,3 2.313,4 5.35,5 76.382,6 9.011,7 0.682,8 3.607,9 3.686,10 3.386,11 3.203,12 4.826,13 3.183,14 4.086,15 4.205,16 3.763,17 3.587,18 5.384,19 3.536,20 4.229,21 4.383,22 3.686,23 3.59,24 5.353,25 3.499,26 4.183,27 4.358,28 3.405,29 3.449,30 5.282,31 3.358,32 4.086,33 4.295,34 3.289,35 3.214,36 5.202,37 3.161,38 3.927,39 4.119,40 3.174,41 3.142,42 5.112,43 3.089,44 3.832,45 4.011,46 3.101,47 3.141,48 5.04,49 3.025,50 3.722,51 3.931,52 2.963,53 3.011,54 4.711,55 2.901,56 0.091,57 0.455,58 4.963,59 2.997,60 9.609,61 2.997,62 0.319,63 0.745,64 10.288,65 4.907,66 34.928,67 4.847,68 0.365,69 0.802,70 17.151,71 6.624,72 23.452,73 6.587,74 0.266,75 0.742,76 15.904,77 6.348,78 28.612,79 6.858,80 0.32,81 0.645,82 13.919,83 5.177,84 25.245,85 6.108,86 0.272,87 0.559,88 10.999,89 4.288,90 32.09,91 4.769,92 0.341,93 0.54,94 11.339,95 4.364,96 31.216,97 4.967,98 0.167,99 0.514,100 11.051,101 3.788,102 15.455,103 4.441,104 6,105 30,106 0.329,107 0.718,108 0.855,109 0.901,110 0.901,111 0.901,112 3.057,113 0.94,114 -3,115 -3,116 -2.89,118 43.8,124 2,140 4,141 1,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 3,171 1,172 2,175 1,180 6,181 2,185 1,186 4,191 2,194 5,195 1,198 2,203 1,206 1,207 2,209 1,210 5,215 2,219 1,222 3,223 1,227 1,233 1,234 3,237 1,247 3,259 1,260 1,270 490,271 13.585,272 13.585,273 13.585,274 13.585,275 13.585,276 11.71,277 10.644,278 8.134,279 14.081,280 10.889,281 10.889,282 10.889,283 10.889,284 10.889,285 8.024,286 9.763,287 3.902,288 11.712,289 3.221,290 1.114,291 0.375,292 0.125,293 0.125,294 0.125,295 3.737,298 1,299 1,300 1,301 408,302 2.915,305 103.29,306 51.766,309 80.929,313 1.65,314 20.058,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 44,326 189,327 4.516,328 3.588,329 6.338,330 3.998,331 3.056,332 4.454,333 1.437,334 9.762,335 2.873,336 3.929,337 3.027,338 5.731,339 3.509,340 2.57,341 3.479,342 0.86,343 7.613,344 2.417,345 3.897,346 2.713,347 5.358,348 3.445,349 2.512,350 3.342,352 7.004,353 2.316,354 3.541,355 2.571,356 5.23,357 3.112,358 2.177,359 2.865,361 6.495,362 2.014,363 3.028,364 1.733,365 4.414,366 2.493,367 1.528,368 2.288,370 4.31,371 1.461,372 2.72,373 1.568,374 3.716,375 2.35,376 1.421,377 1.781,379 3.025,380 1.313,381 2.605,382 1.487,383 3.602,384 2.006,385 1.08,386 1.547,388 2.617,389 0.966,390 2.191,391 1.17,392 3.241,393 1.825,394 0.914,395 1.127,397 2.046,398 0.825,399 2.118,400 0.618,401 3.115,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.898,409 0.512,410 3,411 1.365,412 0.45,413 0.644,415 1.14,416 0.403,417 1.107,418 0.424,419 2.589,420 0.781,421 -0.129,422 -0.153,424 -0.328,425 -0.116,426 0.712,427 0.068,428 2.237,429 0.251,430 -0.695,431 -0.902,433 -1.872,434 -0.637,435 0.536,436 -0.445,437 2,438 0.039,439 -0.898,440 -1.193,442 -2,443 -0.83,444 0.468,445 -0.807,446 1.885,448 -1,449 -1.375,451 -2.59,452 -0.964,453 0.073,454 -1.117,455 1.469,456 -0.306,457 -1.243,458 -1.573,460 -2.904,461 -1.132,462 9.633,463 0.482,464 0.452,465 0.023,466 27.25,467 1.363,468 14,469 0.7,470 13.25,471 0.663,472 12.906,473 0.645,474 20.967,475 0.655,476 16.922,477 0.846,478 5.452,479 0.273,480 4.268,481 0.213,482 0.069,484 0.301,487 0.85,488 1.193,489 0.687,490 0.889,491 0.724,492 0.826,493 0.884,494 0.807,495 0.865,496 0.767,497 0.459,498 0.799,499 0.983,500 0.939,501 1.162,502 1.159,503 0.765,504 1.076,505 0.971,506 1.133,507 1.151,508 1.242,509 0.883,510 1.206,511 0.939,512 0.946,513 0.657,514 0.892,515 0.632,516 0.957,517 1.203,518 0.888,519 0.75,520 0.745,521 1.325,522 0.875,523 0.479,524 1.099,525 1.117,526 1.103,527 0.608,528 1.153,529 0.645,530 1.186,531 1.129,532 1.176,533 0.551,534 1.101,535 4,536 0.066,537 1.778,538 1.076,539 0.863,540 0.417,541 0.294,542 0.15,543 0.115,544 0.081,545 4288,546 14528,547 2.107,548 37.5,550 8,551 1,552 2,553 1,558 1.61,559 2,560 3.238,561 -0.222,563 1,565 1,567 56.923,568 1.779,569 3.886,570 4.625,571 4.875,572 4.875,573 4.875,574 2.733,575 3.822,576 4.291,577 3.41,578 647.805,579 7.295,580 6821.09,581 1,582 1,584 1,585 160,586 1.295,587 4.266,588 0.182,589 0.008,590 0.059,591 0.043,592 0.041,593 0.023,594 0.017,595 0.01,596 0.009,597 0.007,598 0.4,599 0.5,600 1,601 0.764,602 90.342,603 -0.102,604 -0.154,605 0.044,606 0.014,607 -0.093,608 0.015,609 -0.004,610 0.273,611 0.022,612 0.188,613 0.181,614 0.072,615 -0.056,616 0.043,617 -0.075,618 -0.085,619 -0.046,620 -0.092,621 -0.086,622 -0.218,623 -0.174,624 -0.251,625 -0.072,626 -0.2,627 0.056,628 -0.071,629 0.175,630 -0.048,631 0.094,632 0.053,633 -0.165,634 0.014,635 0.061,636 0.1,637 -0.128,638 0.099,639 0.32,640 -0.137,641 -0.121,642 -0.105,643 0.157,644 -0.145,645 -0.019,646 -0.176,647 -0.083,648 -0.166,649 -0.015,650 -0.067,651 2.561,652 3.929,653 0.7,654 17.2,655 1.021,656 1.113,657 1.771,658 3.135,659 0.713,660 3.135,661 3.434,662 3.664,663 3.892,664 4.007,665 4.078,666 4.111,667 4.22,668 4.127,669 4.078,670 5.77,671 0.688,672 288.35,673 3.135,674 4.654,675 5.485,676 6.344,677 7.195,678 8.059,679 8.919,680 9.787,681 10.652,682 11.523,683 6.3,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,722 1,724 32,726 16,727 1,728 22,730 34,731 14,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 4,774 1,775 6,776 1,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,834 1,840 20,845 1,846 2,848 1,856 1,862 9.4,864 1,865 1,867 1,869 10,870 5.683,871 4.389,872 1.764,874 2.801,875 1.422,876 0.973,877 3.804,878 9.435,879 3.45,880 4.069,881 4.661,882 5.26,883 5.674,884 6.027,885 6.338,886 6.72,887 6.633,888 6.69,889 1,890 25,891 7.352,893 3.121,894 7.933,895 13.799,897 11.15,899 2.433,900 48.667,904 129.482,905 113.425,906 18.685,908 78.828,910 31.278,911 82.147,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 29.763,919 13.875,920 125.447,922 129.482,923 100.832,924 78.828,925 31.278,927 129.482,928 78.828,931 26.263,932 57.783,933 16.786,934 31.278,935 129.482,936 97.513,937 113.425,940 129.482,941 48.806,942 66.518,944 95.614,945 129.482,946 97.513,947 113.425,949 0.577,950 0.326,951 0.169,952 0.085,953 15,954 6,955 0.147,956 5,957 1,958 1.143,959 3.408,960 143.835,961 0.143,962 14,963 86.439,964 1,968 13.277,969 5.73,970 3.079,971 1.844,972 95.614,973 12.634,974 3.961,977 1.268,978 1.086,979 1.936,980 42.683,981 340.42,982 30.5,987 10.929,991 -0.895,994 32.68,995 35.621,996 0.356,997 0.777,998 0.925,999 0.975,1000 0.975,1001 0.975,1002 4.652,1003 0.914,1004 5.451,1005 2.617,1006 4.111,1007 4.754,1008 1.888,1009 6.209,1010 3.972,1011 5.86,1012 0.618,1013 6.974,1014 2.046,1015 3.611,1016 4.543,1018 6.974,1019 3.412,1020 7.16,1021 0.45,1022 8.594,1023 1.372,1024 5.652,1025 6.994,1026 2.362,1027 10.034,1028 5.386,1029 8.5,1030 -0.129,1031 10.271,1032 1.14,1033 5.994,1034 7.672,1036 11.636,1037 5.654,1038 9.872,1039 -0.695,1040 11.983,1041 -0.328,1042 7.469,1043 9.541,1044 2.965,1045 14.18,1046 7.08,1047 11.267,1048 -0.898,1049 13.719,1050 -1.872,1051 8.196,1052 10.635,1054 16.141,1055 7.729,1056 12.679,1057 -1,1058 15.473,1059 -2,1060 9.442,1061 12.274,1062 3.635,1063 18.507,1064 8.932,1065 3.056,1066 -1.243,1067 17.24,1068 -2.59,1069 10.358,1070 13.574,1072 20.636,1073 9.77,1074 2.57,1075 9.762,1076 19.018,1077 -2.904,1078 11.51,1079 15.118,1080 4.335,1081 22.938,1082 10.877,1083 2.512,1084 7.613,1085 20.803,1086 4.454,1087 12.519,1088 16.518,1090 25.145,1091 11.814,1092 2.177,1093 7.004,1094 22.596,1095 3.479,1096 13.636,1097 18.027,1098 5.05,1099 27.426,1100 12.88,1101 1.528,1102 6.495,1103 24.395,1104 3.342,1105 14.692,1106 19.475,1108 29.67,1109 13.869,1110 1.421,1111 4.31,1112 26.199,1113 2.865,1114 15.797,1115 20.97,1116 5.77,1117 31.946,1118 14.921,1119 1.08,1120 3.025,1121 28.008,1122 2.288,1123 16.879,1124 22.441,1126 34.207,1127 15.937,1128 4130,1129 7725,1130 14.909,1131 22.83,1132 33.161,1133 33.442,1134 32.947,1135 32.674,1136 32.653,1137 44.91,1138 4.593,1139 90.77,1140 30.33,1141 5.388,1142 5.588,1143 5.995,1144 5.122,1145 5.056,1146 7.454,1147 2.873,1148 16.225,1149 4.873,1150 7.931,1151 1.507,1152 1.52,1153 1.498,1154 1.485,1155 1.484,1156 2.041,1157 0.209,1158 4.126,1159 1.379,1160 4.083,1161 4.085,1162 4.334,1163 4.103,1164 7.475,1165 4.051,1166 3.918,1167 3.983,1168 3.861,1169 3.705,1170 6.351,1171 3.734,1172 3.528,1173 3.53,1174 3.57,1175 3.406,1176 4.968,1177 3.397,1178 3.318,1179 3.363,1180 3.213,1181 3.114,1182 4.888,1183 3.116,1184 3.032,1185 3.04,1186 3.062,1187 2.842,1188 4.459,1189 2.827,1190 2.891,1191 2.927,1192 2.875,1193 2.764,1194 3.958,1195 2.78,1196 2.532,1197 2.625,1198 2.449,1199 2.323,1200 3.696,1201 2.307,1202 2.426,1203 2.531,1204 2.263,1205 2.134,1206 3.47,1207 2.135,1208 0.205,1209 0.163,1210 0.288,1211 0.182,1212 0.139,1213 4.516,1214 0.202,1215 3.588,1216 0.065,1217 6.338,1218 0.444,1219 3.998,1220 0.131,1221 3.056,1222 4.454,1223 1.437,1224 9.762,1225 2.873,1226 1.915,1227 1.904,1228 1.987,1229 1.992,1230 1.151,1231 1.995,1232 1.629,1233 1.562,1234 1.824,1235 1.856,1236 1.072,1237 1.851,1238 1.512,1239 1.529,1240 1.511,1241 1.637,1242 0.691,1243 1.62,1244 1.309,1245 1.246,1246 1.495,1247 1.527,1248 0.529,1249 1.52,1250 1.112,1251 1.063,1252 1.328,1253 1.381,1254 0.32,1255 1.375,1256 0.931,1257 0.9,1258 1.103,1259 1.18,1260 0.207,1261 1.162,1262 0.821,1263 0.799,1264 0.975,1265 0.948,1266 0.096,1267 0.986,1268 0.512,1269 0.49,1270 0.824,1271 0.763,1273 0.813,1274 3.807,1276 5.106,1277 3.045,1278 6.575,1279 5.283,1280 8.126,1281 7.286,1282 9.725,1289 8.973,1290 1.264,1292 5.666,1300 22.008,1301 56.923,1302 124.349,1303 148,1304 156,1305 156,1306 156,1307 27.884,1308 6.635,1309 64.35,1310 92.59,1311 16,1312 12.067,1313 4.087,1314 3.248,1315 30.242,1316 69,1317 58,1318 0.216,1319 139.1,1320 229.38,1321 331.163,1322 6199,1324 13.949,1325 0.697,1326 0.567,1327 14.303,1328 11.339,1329 9.72,1330 0.442,1331 0.313,1332 6.04,1333 8.816,1334 5.872,1335 4.827,1336 10.129,1337 6.893,1338 8.756,1339 0.292,1340 0.178,1341 9.398,1342 5.348,1343 7.102,1344 0.187,1345 0.105,1346 7.992,1347 3.98,1348 5.698,1349 0.119,1350 0.058,1351 6.494,1352 2.786,1353 4.161,1354 0.077,1355 0.032,1356 4.878,1357 1.738,1358 0.344,1359 65.58,1360 0.259,1361 20.355,1362 0.574,1363 104,1364 355.771,1365 141.119,1366 357.733,1367 479.66,1368 334,1369 120,1370 327.794,1371 155.218,1372 345.409,1373 502.45,1374 324,1375 6.377} {0 CHEMBL42461,1 1.928,2 7.895,3 2.929,4 8.577,5 75.247,6 10.456,7 0.714,8 3.486,9 3.555,10 3.387,11 3.169,12 4.741,13 3.135,14 3.949,15 4.052,16 3.816,17 3.589,18 5.297,19 3.523,20 4.096,21 4.212,22 3.969,23 3.665,24 5.294,25 3.547,26 4.145,27 4.321,28 3.752,29 3.518,30 5.442,31 3.417,32 3.902,33 4.056,34 3.36,35 3.307,36 5.117,37 3.206,38 3.831,39 3.995,40 3.273,41 3.139,42 5.1,43 3.057,44 3.599,45 3.777,46 3.104,47 2.928,48 4.725,49 2.799,50 3.272,51 3.405,52 2.864,53 2.579,54 4.668,55 2.531,56 0.099,57 0.381,58 2.408,59 2.271,60 9.913,61 2.152,62 0.27,63 0.644,64 5.425,65 3.796,66 30.998,67 3.545,68 0.229,69 0.683,70 13.074,71 5.742,72 20.603,73 5.395,74 0.413,75 0.711,76 17.499,77 6.256,78 46.589,79 6.587,80 0.228,81 0.567,82 15.434,83 4.977,84 16.641,85 5.109,86 0.26,87 0.527,88 7.333,89 3.935,90 31.921,91 3.803,92 0.247,93 0.427,94 13.352,95 3.926,96 28.326,97 3.763,98 0.24,99 0.279,100 5.671,101 2.253,102 23.687,103 1.928,104 11,105 30,106 0.366,107 0.762,108 0.867,109 0.899,110 0.899,111 0.899,112 3.011,113 0.963,114 -3.79,115 -3.75,116 -3.56,118 46.4,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,171 1,172 1,175 1,180 7,181 1,186 3,191 1,194 6,195 2,198 4,203 2,206 3,207 2,210 6,215 2,218 1,219 2,222 3,227 2,234 3,235 1,246 1,250 1,259 1,260 1,270 367,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 12.26,278 7.417,279 13.149,280 10.363,281 10.363,282 10.363,283 10.363,284 10.363,285 7.439,286 16.293,287 3.528,288 11.155,289 2.88,290 0.795,291 0.241,292 0.071,293 0.071,294 0.071,295 3.685,297 1,299 1,300 1,301 323,302 2.646,305 89.462,306 45.496,309 71.209,313 1.385,314 20.085,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 41.333,326 150,327 4.656,328 3.667,329 6.771,330 4.142,331 3.22,332 4.606,333 1.437,334 11.02,335 2.95,336 4.03,337 3.189,338 5.88,339 3.634,340 2.683,341 3.558,342 0.522,343 8.091,344 2.543,345 3.847,346 2.882,347 5.547,348 3.384,349 2.432,350 3.348,352 7.384,353 2.296,354 3.505,355 2.409,356 5.102,357 3.062,358 2.092,359 2.843,361 6.073,362 2.01,363 3.155,364 2.029,365 4.808,366 2.582,367 1.708,368 2.448,370 5.015,371 1.457,372 2.775,373 1.637,374 4.078,375 2.236,376 1.299,377 1.81,379 3.204,380 1.165,381 2.572,382 1.226,383 3.439,384 2.057,385 1.133,386 1.592,388 2.545,389 1.032,390 2.16,391 1.109,392 3.369,393 1.568,394 0.696,395 0.991,397 1.745,398 0.577,399 2.118,400 0.618,401 3,402 1.553,403 0.618,404 0.927,406 1.372,407 0.568,408 1.203,409 0.424,410 2.759,411 0.837,412 -0.084,413 -0.104,415 -0.227,416 -0.072,417 0.917,418 0.273,419 2.361,420 0.363,421 -0.458,422 -0.58,424 -1.203,425 -0.321,426 0.566,427 -0.122,428 2.265,429 0.12,430 -0.821,431 -1.103,433 -2,434 -0.765,435 0.469,436 -0.721,437 2.085,438 -0.005,439 -1,440 -1.344,442 -2.252,443 -0.953,444 0.251,445 -1.005,446 1.666,447 -0.22,448 -1.12,449 -1.59,451 -3.294,452 -0.986,453 -0.082,454 -1.205,455 1.38,456 -0.538,457 -1.458,458 -1.827,460 -3.591,461 -1.305,462 9.514,463 0.501,464 0.524,465 0.028,466 26,467 1.368,468 13.5,469 0.711,470 12.5,471 0.658,472 13.256,473 0.698,474 19.286,475 0.689,476 15.892,477 0.836,478 5.114,479 0.269,480 4.034,481 0.212,482 0.145,484 0.357,487 0.772,488 1.098,489 0.581,490 0.722,491 0.698,492 0.704,493 0.626,494 0.715,495 0.712,496 0.633,497 0.414,498 0.687,499 0.69,500 1.151,501 0.877,502 1.153,503 0.739,504 1.127,505 0.681,506 0.903,507 0.973,508 1.02,509 0.598,510 0.97,511 0.865,512 1.214,513 1.357,514 1.394,515 0.683,516 1.259,517 1.221,518 1.114,519 0.737,520 0.89,521 1.345,522 1.079,523 1.033,524 1.072,525 1.427,526 1.321,527 1.058,528 1.127,529 1.478,530 0.915,531 1.08,532 0.783,533 1.864,534 0.915,535 4,536 0.04,537 2,538 1.924,539 0.893,540 0.476,541 0.328,542 0.2,543 0.148,544 0.08,545 3275,546 12481,547 2.081,548 32.1,550 5,551 1,552 2,553 1,558 1.601,559 1.932,560 3.004,561 -0.198,563 1,565 1,567 53.971,568 1.928,569 4.012,570 4.566,571 4.736,572 4.736,573 4.736,574 2.484,575 3.722,576 4.218,577 3.144,578 537.637,579 7.176,580 5202.78,581 1,582 1,583 1,584 1,585 134.606,586 1.462,587 4.171,588 0.19,589 0.01,590 0.067,591 0.071,592 0.037,593 0.025,594 0.021,595 0.017,596 0.015,597 0.01,598 0.463,599 0.67,600 1,601 0.868,602 81.969,603 -0.113,604 -0.101,605 0.004,606 0.059,607 -0.099,608 0.038,609 0.066,610 0.362,611 0.016,612 0.236,613 0.184,614 0.116,615 0.03,616 -0.211,617 0.13,618 -0.127,619 -0.051,620 -0.17,621 0.189,622 0.029,623 0.102,624 -0.011,625 0.207,626 0.107,627 -0.079,628 -0.285,629 -0.282,630 -0.375,631 0.019,632 -0.227,633 -0.203,634 -0.166,635 0.002,636 0.005,637 -0.207,638 -0.106,639 -0.07,640 -0.076,641 -0.154,642 -0.148,643 -0.157,644 -0.013,645 -0.059,646 0.048,647 -0.112,648 0.134,649 -0.314,651 2.651,652 4.046,653 0.737,654 14.26,655 1.028,656 1.105,657 2.558,658 6.544,659 0.767,660 3.091,661 3.434,662 3.714,663 3.989,664 4.094,665 4.205,666 4.304,667 4.407,668 4.369,669 4.29,670 4.894,671 0.736,672 292.76,673 3.091,674 4.635,675 5.493,676 6.382,677 7.259,678 8.154,679 9.039,680 9.937,681 10.827,682 11.727,683 7.1,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,723 1,724 28,726 16,727 1,728 21,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,741 1,753 12,754 1,756 1,761 1,765 1,769 1,772 9,773 3,774 1,775 6,776 2,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,837 1,840 19,845 1,846 1,856 1,861 1,862 7.1,864 1,865 1,869 9.833,870 5.076,871 4.111,872 1.508,874 2.873,875 1.435,876 0.993,877 3.288,878 9.476,879 3.418,880 4.086,881 4.718,882 5.359,883 5.794,884 6.206,885 6.616,886 7.04,887 7.202,888 7.408,889 1,890 27,891 6.981,893 3.034,894 7.997,895 13.009,897 10.752,899 2.497,900 47.444,901 0.001,904 94.169,905 100.799,906 18.685,907 39.149,908 67.828,910 31.278,911 69.521,912 201.146,913 18.685,915 2.106,916 37.476,917 117.684,918 20.206,919 13.875,920 90.133,921 39.149,922 94.169,923 88.206,924 67.828,925 70.426,927 94.169,928 67.828,931 21.671,932 49.749,933 55.934,934 31.278,935 94.169,936 86.513,937 139.947,940 94.169,941 45.657,942 57.041,944 123.762,945 94.169,946 86.513,947 139.947,949 0.589,950 0.345,951 0.188,952 0.089,953 16,954 7,955 0.1,956 3,957 1,958 1.143,959 3.162,960 141.453,961 0.143,962 14,963 80.711,964 1,968 12.634,969 4.945,970 2.378,971 1.679,972 84.614,973 11.142,974 3.989,977 1.202,978 1.596,979 1.953,980 42.683,981 320.629,982 29.5,987 11.046,991 -0.984,994 28.793,995 30.94,996 0.401,997 0.835,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.642,1003 0.696,1004 5.493,1005 2.545,1006 4.111,1007 4.771,1008 1.736,1009 6.323,1010 3.963,1011 5.882,1012 0.618,1013 7.066,1014 1.745,1015 3.761,1016 4.677,1018 7.248,1019 3.524,1020 7.209,1021 -0.084,1022 8.738,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.362,1028 5.442,1029 8.576,1030 -0.458,1031 10.468,1032 -0.227,1033 6.196,1034 7.838,1036 12.13,1037 5.803,1038 9.975,1039 -0.821,1040 12.236,1041 -1.203,1042 7.636,1043 9.682,1044 2.925,1045 14.767,1046 7.207,1047 11.398,1048 -1,1049 14.031,1050 -2,1051 8.483,1052 10.856,1054 16.894,1055 7.927,1056 12.84,1057 -1.12,1058 15.845,1059 -2.252,1060 9.731,1061 12.494,1062 3.619,1063 19.373,1064 9.128,1065 3.22,1066 -1.458,1067 17.676,1068 -3.294,1069 10.748,1070 13.86,1072 21.656,1073 10.021,1074 2.683,1075 11.02,1076 19.519,1077 -3.591,1078 11.928,1079 15.42,1080 4.33,1081 24.081,1082 11.139,1083 2.432,1084 8.091,1085 21.373,1086 4.606,1087 13.022,1088 16.873,1090 26.43,1091 12.119,1092 2.092,1093 7.384,1094 23.235,1095 3.558,1096 14.183,1097 18.407,1098 5.047,1099 28.837,1100 13.204,1101 1.708,1102 6.073,1103 25.106,1104 3.348,1105 15.312,1106 19.9,1108 31.214,1109 14.228,1110 1.299,1111 5.015,1112 26.983,1113 2.843,1114 16.469,1115 21.426,1116 5.769,1117 33.616,1118 15.301,1119 1.133,1120 3.204,1121 28.865,1122 2.448,1123 17.616,1124 22.937,1126 36.005,1127 16.349,1128 3210,1129 6385,1130 13.929,1131 21.472,1132 32.348,1133 32.763,1134 32.56,1135 31.893,1136 31.763,1137 44.243,1138 3.916,1139 92.898,1140 29.195,1141 5.426,1142 5.667,1143 6.385,1144 5.263,1145 5.22,1146 7.606,1147 2.873,1148 18.254,1149 4.95,1150 8.965,1151 1.54,1152 1.56,1153 1.55,1154 1.519,1155 1.513,1156 2.107,1157 0.186,1158 4.424,1159 1.39,1160 4.104,1161 4.113,1162 4.39,1163 4.125,1164 7.475,1165 4.074,1166 3.887,1167 3.94,1168 3.866,1169 3.701,1170 6.351,1171 3.721,1172 3.501,1173 3.503,1174 3.547,1175 3.41,1176 4.987,1177 3.397,1178 3.134,1179 3.148,1180 3.465,1181 2.928,1182 4.921,1183 2.936,1184 2.919,1185 2.955,1186 3.14,1187 2.823,1188 4.497,1189 2.803,1190 2.725,1191 2.784,1192 2.836,1193 2.53,1194 3.878,1195 2.526,1196 2.468,1197 2.567,1198 2.432,1199 2.28,1200 3.722,1201 2.261,1202 2.188,1203 2.261,1204 2.26,1205 2.091,1206 3.423,1207 1.998,1208 0.222,1209 0.175,1210 0.322,1211 0.197,1212 0.153,1213 4.656,1214 0.219,1215 3.667,1216 0.068,1217 6.771,1218 0.525,1219 4.142,1220 0.14,1221 3.22,1222 4.606,1223 1.437,1224 11.02,1225 2.95,1226 1.949,1227 1.933,1228 2.022,1229 2.015,1230 1.229,1231 2.026,1232 1.549,1233 1.543,1234 1.673,1235 1.736,1236 0.858,1237 1.723,1238 1.472,1239 1.448,1240 1.476,1241 1.607,1242 0.649,1243 1.584,1244 1.294,1245 1.228,1246 1.382,1247 1.525,1248 0.445,1249 1.512,1250 0.977,1251 0.948,1252 1.141,1253 1.155,1254 0.242,1255 1.155,1256 0.878,1257 0.854,1258 1.08,1259 1.025,1260 0.154,1261 1.078,1262 0.593,1263 0.567,1264 0.843,1265 0.865,1267 0.889,1268 0.326,1269 0.25,1270 0.555,1271 0.57,1273 0.631,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.203,1281 7.413,1282 9.85,1285 6.062,1289 9.057,1290 0.702,1300 20.594,1301 53.971,1302 112.341,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 28.629,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.251,1313 4.087,1314 3.248,1315 27.881,1316 57,1317 46,1318 0.256,1319 133.844,1320 218.5,1321 318.339,1322 5395,1323 3.6,1324 13.405,1325 0.706,1326 0.594,1327 14.259,1328 11.28,1329 9.148,1330 0.436,1331 0.321,1332 5.576,1333 8.136,1334 5.359,1335 4.407,1336 9.845,1337 6.743,1338 8.492,1339 0.283,1340 0.185,1341 9.441,1342 5.546,1343 7.073,1344 0.177,1345 0.111,1346 8.504,1347 4.458,1348 6.04,1349 0.114,1350 0.063,1351 7.514,1352 3.351,1353 4.158,1354 0.07,1355 0.035,1356 5.223,1357 2.081,1358 0.392,1359 64.412,1360 0.268,1361 18.906,1362 0.726,1363 102,1364 338.239,1365 151.095,1366 378.388,1367 498.03,1368 350,1369 121,1370 319.202,1371 171.599,1372 351.164,1373 515.64,1374 328,1375 8.131} {0 CHEMBL42462,1 1.718,2 7.895,3 2.75,4 7.565,5 75.484,6 8.785,7 0.714,8 3.562,9 3.65,10 3.328,11 3.206,12 4.763,13 3.165,14 4.04,15 4.177,16 3.732,17 3.619,18 5.302,19 3.547,20 4.17,21 4.306,22 3.746,23 3.694,24 5.268,25 3.581,26 4.293,27 4.484,28 3.549,29 3.644,30 5.367,31 3.51,32 4.164,33 4.349,34 3.316,35 3.42,36 5.352,37 3.312,38 4.037,39 4.261,40 3.209,41 3.23,42 5.164,43 3.117,44 3.653,45 3.845,46 2.993,47 2.97,48 4.69,49 2.839,50 3.539,51 3.767,52 2.637,53 2.66,54 4.7,55 2.595,56 0.049,57 0.436,58 5.114,59 2.862,60 7.801,61 3.089,62 0.232,63 0.732,64 10.475,65 4.803,66 31.54,67 5.334,68 0.138,69 0.792,70 14.049,71 6.366,72 14.646,73 6.869,74 0.169,75 0.893,76 20.176,77 7.696,78 20.018,79 8.572,80 0.245,81 0.747,82 16.711,83 6.15,84 36.599,85 6.702,86 0.211,87 0.65,88 13.63,89 5.226,90 33.734,91 6.116,92 0.127,93 0.479,94 10.915,95 3.837,96 19.366,97 4.177,98 0.265,99 0.399,100 9.24,101 2.85,102 25.021,103 3.217,104 11,105 30,106 0.32,107 0.718,108 0.853,109 0.881,110 0.881,111 0.881,112 3.011,113 0.954,114 -3.52,115 -3.5,116 -3.34,118 45.2,119 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,171 1,172 1,175 1,180 9,181 2,186 4,191 2,194 8,195 2,198 4,203 2,206 4,207 2,210 6,215 2,218 1,219 2,222 4,227 2,234 3,235 1,246 1,247 1,250 1,259 1,260 1,270 367,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 13.084,278 7.417,279 13.058,280 10.363,281 10.363,282 10.363,283 10.363,284 10.363,285 7.439,286 17.351,287 3.528,288 10.942,289 3.236,290 1.093,291 0.371,292 0.218,293 0.218,294 0.218,295 3.685,298 1,299 1,300 1,301 323,302 2.646,305 89.462,306 45.496,309 71.209,313 1.385,314 16.745,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41,326 150,327 4.656,328 3.634,329 6.771,330 4.173,331 3.22,332 4.606,333 1.437,334 11.02,335 3.068,336 4.03,337 3.109,338 5.88,339 3.639,340 2.683,341 3.558,342 0.522,343 8.091,344 2.572,345 3.847,346 2.841,347 5.547,348 3.385,349 2.432,350 3.348,352 7.384,353 2.296,354 3.505,355 2.333,356 5.102,357 3.073,358 2.092,359 2.843,361 6.073,362 2.034,363 3.155,364 1.887,365 4.808,366 2.633,367 1.708,368 2.448,370 5.015,371 1.559,372 2.775,373 1.632,374 4.078,375 2.269,376 1.299,377 1.81,379 3.204,380 1.242,381 2.572,382 1.226,383 3.439,384 2.063,385 1.133,386 1.592,388 2.545,389 1.049,390 2.16,391 0.942,392 3.369,393 1.608,394 0.696,395 0.991,397 1.745,398 0.614,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.203,409 0.424,410 2.759,411 0.88,412 -0.084,413 -0.104,415 -0.227,416 -0.081,417 0.917,418 0.175,419 2.361,420 0.479,421 -0.458,422 -0.58,424 -1.203,425 -0.413,426 0.566,427 -0.241,428 2.265,429 0.142,430 -0.821,431 -1.103,433 -2,434 -0.782,435 0.469,436 -0.727,437 2.085,438 -0.004,439 -1,440 -1.344,442 -2.252,443 -0.957,444 0.251,445 -1.045,446 1.666,447 -0.177,448 -1.12,449 -1.59,451 -3.294,452 -1.076,453 -0.082,454 -1.236,455 1.38,456 -0.494,457 -1.458,458 -1.827,460 -3.591,461 -1.385,462 9.3,463 0.489,464 0.524,465 0.028,466 25.75,467 1.355,468 13.5,469 0.711,470 12.25,471 0.645,472 13.362,473 0.703,474 19.5,475 0.629,476 15.786,477 0.831,478 5.082,479 0.267,480 4.065,481 0.214,482 0.125,484 0.366,487 0.797,488 1.119,489 0.698,490 0.826,491 0.709,492 0.804,493 0.584,494 0.694,495 0.771,496 0.669,497 0.372,498 0.7,499 0.617,500 1.128,501 1.049,502 1.249,503 0.69,504 1.177,505 0.749,506 1.12,507 1.299,508 1.313,509 0.649,510 1.165,511 1.25,512 1.135,513 1.206,514 1.186,515 1.299,516 1.168,517 1.151,518 0.944,519 0.788,520 0.811,521 1.188,522 0.921,523 0.964,524 1.262,525 1.293,526 1.29,527 0.965,528 1.125,529 1.344,530 0.63,531 0.928,532 0.596,533 1.496,534 0.715,535 4,536 0.04,537 2,538 1.924,539 0.893,540 0.476,541 0.328,542 0.2,543 0.148,544 0.08,545 3275,546 10525,547 2.081,548 38.7,549 3,550 5,551 1,552 2,553 1,558 1.601,559 1.932,560 3.004,561 -0.249,563 1,565 1,567 53.258,568 1.718,569 3.861,570 4.583,571 4.736,572 4.736,573 4.736,574 2.484,575 3.722,576 4.218,577 3.144,578 537.637,579 7.176,580 5202.78,581 1,582 1,583 1,584 1,585 153.58,586 1.462,587 4.171,588 0.19,589 0.01,590 0.067,591 0.071,592 0.037,593 0.025,594 0.021,595 0.017,596 0.015,597 0.01,598 0.463,599 0.67,600 1,601 0.868,602 81.969,603 -0.088,604 -0.099,605 0.044,606 0.056,607 -0.092,608 0.037,609 0.145,610 0.38,611 0.117,612 0.277,613 0.226,614 0.191,615 0.024,616 -0.155,617 -0.036,618 -0.198,619 -0.046,620 -0.215,621 -0.021,622 -0.153,623 -0.172,624 -0.225,625 0.044,626 -0.138,627 -0.172,628 -0.218,629 -0.218,630 -0.204,631 -0.145,632 -0.185,633 -0.095,634 -0.036,635 0.126,636 0.1,637 -0.089,638 0.089,639 -0.071,640 -0.264,641 -0.084,642 -0.173,643 -0.108,644 -0.109,645 0.036,646 0.368,647 -0.014,648 0.269,649 -0.15,650 0.237,651 2.519,652 4.131,653 0.737,654 14.26,655 1.011,656 1.11,657 2.29,658 5.245,659 0.722,660 3.091,661 3.434,662 3.714,663 3.989,664 4.094,665 4.205,666 4.304,667 4.407,668 4.369,669 4.29,670 4.894,671 0.687,672 272.35,673 3.091,674 4.635,675 5.493,676 6.382,677 7.259,678 8.154,679 9.039,680 9.937,681 10.827,682 11.727,683 6.5,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,724 31,726 16,727 1,728 21,730 33,731 14,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,836 1,840 19,845 1,846 1,856 1,862 6.5,864 1,865 1,869 9.833,870 5.933,871 4.111,872 1.722,874 2.873,875 1.435,876 0.988,877 3.109,878 9.476,879 3.418,880 4.086,881 4.718,882 5.359,883 5.794,884 6.206,885 6.616,886 7.04,887 7.202,888 7.408,889 1,890 27,891 6.993,893 3,894 7.886,895 13.223,897 10.918,899 2.386,900 45.333,901 0.001,904 129.482,905 109.309,906 18.685,908 67.828,910 31.278,911 78.031,912 197.31,913 18.685,914 8.825,915 2.106,916 37.476,917 117.684,918 19.891,919 13.875,920 125.447,922 129.482,923 96.716,924 67.828,925 31.278,927 129.482,928 67.828,931 30.496,932 49.434,933 16.786,934 31.278,935 129.482,936 86.513,937 109.309,940 129.482,941 45.342,942 65.866,944 84.614,945 129.482,946 86.513,947 109.309,949 0.589,950 0.345,951 0.188,952 0.089,953 16,954 7,955 0.091,956 3,957 1,958 1.143,959 3.162,960 141.453,961 0.143,962 14,963 80.711,964 1,968 12.363,969 4.779,970 2.281,971 2.046,972 84.614,973 11.516,974 4.01,977 1.334,978 2.417,979 1.986,980 42.683,981 325.304,982 29.5,987 11.131,991 -0.852,994 31.353,995 34.411,996 0.347,997 0.779,998 0.925,999 0.956,1000 0.956,1001 0.956,1002 4.642,1003 0.696,1004 5.493,1005 2.545,1006 4.111,1007 4.771,1008 1.736,1009 6.323,1010 4.007,1011 5.882,1012 0.618,1013 7.066,1014 1.745,1015 3.761,1016 4.677,1018 7.248,1019 3.625,1020 7.209,1021 -0.084,1022 8.738,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.362,1028 5.527,1029 8.576,1030 -0.458,1031 10.468,1032 -0.227,1033 6.196,1034 7.838,1036 12.13,1037 5.957,1038 9.975,1039 -0.821,1040 12.236,1041 -1.203,1042 7.636,1043 9.682,1044 2.925,1045 14.767,1046 7.353,1047 11.398,1048 -1,1049 14.031,1050 -2,1051 8.483,1052 10.856,1054 16.894,1055 8.146,1056 12.84,1057 -1.12,1058 15.845,1059 -2.252,1060 9.731,1061 12.494,1062 3.619,1063 19.373,1064 9.354,1065 3.22,1066 -1.458,1067 17.676,1068 -3.294,1069 10.748,1070 13.86,1072 21.656,1073 10.315,1074 2.683,1075 11.02,1076 19.519,1077 -3.591,1078 11.928,1079 15.42,1080 4.33,1081 24.081,1082 11.454,1083 2.432,1084 8.091,1085 21.373,1086 4.606,1087 13.022,1088 16.873,1090 26.43,1091 12.493,1092 2.092,1093 7.384,1094 23.235,1095 3.558,1096 14.183,1097 18.407,1098 5.047,1099 28.837,1100 13.61,1101 1.708,1102 6.073,1103 25.106,1104 3.348,1105 15.312,1106 19.9,1108 31.214,1109 14.687,1110 1.299,1111 5.015,1112 26.983,1113 2.843,1114 16.469,1115 21.426,1116 5.769,1117 33.616,1118 15.798,1119 1.133,1120 3.204,1121 28.865,1122 2.448,1123 17.616,1124 22.937,1126 36.005,1127 16.894,1128 3210,1129 5851,1130 13.929,1131 22.375,1132 32.348,1133 32.512,1134 32.56,1135 31.737,1136 31.763,1137 44.243,1138 3.916,1139 92.898,1140 30.023,1141 5.426,1142 5.634,1143 6.385,1144 5.289,1145 5.22,1146 7.606,1147 2.873,1148 18.254,1149 5.068,1150 8.965,1151 1.54,1152 1.548,1153 1.55,1154 1.511,1155 1.513,1156 2.107,1157 0.186,1158 4.424,1159 1.43,1160 4.113,1161 4.124,1162 4.346,1163 4.13,1164 7.475,1165 4.082,1166 3.891,1167 3.947,1168 3.863,1169 3.703,1170 6.351,1171 3.724,1172 3.521,1173 3.541,1174 3.522,1175 3.424,1176 4.966,1177 3.415,1178 3.198,1179 3.219,1180 3.151,1181 3.001,1182 4.804,1183 2.978,1184 2.99,1185 3.071,1186 3.092,1187 2.846,1188 4.163,1189 2.831,1190 2.918,1191 2.954,1192 2.75,1193 2.756,1194 3.742,1195 2.748,1196 2.569,1197 2.652,1198 2.417,1199 2.376,1200 3.67,1201 2.359,1202 2.455,1203 2.556,1204 2.26,1205 2.239,1206 3.384,1207 2.225,1208 0.222,1209 0.173,1210 0.322,1211 0.199,1212 0.153,1213 4.656,1214 0.219,1215 3.634,1216 0.068,1217 6.771,1218 0.525,1219 4.173,1220 0.146,1221 3.22,1222 4.606,1223 1.437,1224 11.02,1225 3.068,1226 1.958,1227 1.94,1228 2.041,1229 2.025,1230 1.242,1231 2.036,1232 1.62,1233 1.607,1234 1.763,1235 1.779,1236 0.951,1237 1.776,1238 1.49,1239 1.448,1240 1.605,1241 1.649,1242 0.774,1243 1.654,1244 1.294,1245 1.229,1246 1.462,1247 1.525,1248 0.446,1249 1.512,1250 1.102,1251 1.06,1252 1.25,1253 1.39,1254 0.382,1255 1.368,1256 0.879,1257 0.862,1258 1.14,1259 1.067,1260 0.218,1261 1.105,1262 0.862,1263 0.787,1264 1.069,1265 1.021,1266 0.105,1267 1.073,1268 0.418,1269 0.347,1270 0.782,1271 0.694,1273 0.727,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.203,1281 7.413,1282 9.85,1284 1.859,1289 9.141,1290 0.745,1300 21.294,1301 53.258,1302 119.706,1303 142.07,1304 146.825,1305 146.825,1306 146.825,1307 26.385,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.251,1313 4.087,1314 3.248,1315 27.881,1316 57,1317 46,1318 0.256,1319 135.103,1320 220.59,1321 321.412,1322 5395,1324 13.405,1325 0.706,1326 0.587,1327 13.759,1328 11.146,1329 9.148,1330 0.436,1331 0.318,1332 5.857,1333 8.397,1334 5.605,1335 4.654,1336 9.556,1337 6.676,1338 8.492,1339 0.283,1340 0.183,1341 9.108,1342 5.479,1343 7.073,1344 0.177,1345 0.109,1346 8.017,1347 4.364,1348 6.04,1349 0.114,1350 0.062,1351 6.966,1352 3.275,1353 4.158,1354 0.07,1355 0.035,1356 4.945,1357 2.038,1358 0.392,1359 61.237,1360 0.268,1361 18.906,1362 0.726,1363 102,1364 312.036,1365 135.576,1366 324.808,1367 438.99,1368 302,1369 121,1370 302.339,1371 154.677,1372 325.576,1373 475.5,1374 304,1375 8.284} {0 CHEMBL42480,1 1.718,2 13.643,3 4.274,4 18.27,5 109.44,6 8.019,7 0.414,8 4.036,9 4.136,10 3.788,11 3.621,12 5.101,13 3.556,14 4.587,15 4.747,16 4.042,17 3.993,18 5.898,19 3.892,20 4.88,21 5.097,22 4.045,23 4.128,24 5.922,25 3.982,26 4.911,27 5.133,28 3.905,29 4.062,30 5.983,31 3.916,32 4.886,33 5.135,34 3.906,35 3.996,36 5.883,37 3.842,38 4.812,39 5.063,40 3.959,41 3.956,42 5.891,43 3.807,44 4.745,45 4.984,46 3.813,47 3.919,48 5.776,49 3.779,50 4.696,51 4.913,52 3.746,53 3.869,54 5.857,55 3.749,56 0.115,57 0.739,58 13.262,59 5.509,60 23.106,61 6.605,62 0.436,63 1.16,64 22.518,65 9.297,66 81.876,67 11.676,68 0.441,69 1.42,70 38.322,71 12.993,72 79.741,73 15.984,74 0.55,75 1.423,76 38.946,77 12.596,78 101.119,79 15.58,80 0.563,81 1.376,82 37.398,83 11.603,84 98.996,85 14.976,86 0.611,87 1.293,88 35.235,89 11.085,90 89.696,91 14.475,92 0.43,93 1.219,94 34.069,95 10.842,96 75.361,97 13.706,98 0.585,99 1.126,100 30.557,101 9.688,102 99.335,103 12.16,104 33,105 38,106 0.287,107 0.598,108 0.753,109 0.845,110 0.864,111 0.876,112 3.373,113 1.152,114 -3.74,115 -3.71,116 -3.53,118 37.7,120 7,124 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 3,175 3,177 2,180 13,181 1,186 7,191 4,194 11,195 1,198 9,203 5,206 6,207 1,210 4,215 2,218 7,219 1,222 8,225 1,227 3,229 8,230 1,234 4,239 2,242 9,243 1,246 2,247 4,252 2,255 9,256 1,259 5,260 1,264 2,267 5,268 2,270 1484,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.407,277 13.076,278 11.287,279 18.782,280 14.316,281 14.316,282 14.316,283 14.316,284 14.316,285 11.28,286 5.928,287 5.375,288 14.982,289 4.01,290 2.151,291 1.229,292 0.679,293 0.566,294 0.491,295 4.039,297 1,299 1,300 1,301 775,302 4.472,306 217.605,313 2.311,314 39.587,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.333,326 382,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.196,337 3.596,338 6.137,339 3.838,340 2.843,341 3.802,343 9.032,344 2.829,345 3.835,346 3.068,347 5.149,348 3.312,349 2.4,350 3.393,352 6.32,353 2.223,354 3.55,355 2.898,356 4.735,357 3.241,358 2.235,359 2.71,361 5.184,362 2.158,363 3.087,364 2.09,365 4.659,366 2.825,367 1.831,368 2.293,370 4.793,371 1.817,372 2.988,373 1.871,374 4.451,375 2.629,376 1.677,377 2.119,379 4.493,380 1.583,381 2.934,382 1.723,383 3.743,384 2.525,385 1.555,386 2.1,388 3.401,389 1.451,390 2.696,391 1.54,392 3.624,393 2.414,394 1.46,395 1.703,397 3.067,398 1.381,399 2.5,400 1.234,401 3.474,402 2,403 1.04,404 1.5,406 2.317,407 1,408 2.264,409 1.18,410 3.414,411 1.999,412 1,413 1.218,415 2.275,416 0.994,417 2.125,418 1,419 3.152,420 1.991,421 1,422 1.084,424 2.079,425 0.984,426 1.503,427 0.71,428 2.935,429 1.342,430 0.351,431 0.386,433 0.757,434 0.345,435 1.167,436 0.613,437 2.623,438 0.969,444 1.119,445 0.407,446 2.522,447 0.608,448 -0.225,449 -0.281,451 -0.495,452 -0.151,453 1,454 0.174,455 2,456 0.552,457 -0.424,458 -0.472,460 -0.973,461 -0.413,462 13.681,463 0.489,464 0.704,465 0.025,466 33,467 1.179,468 16.5,469 0.589,470 16.5,471 0.589,472 25.345,473 0.905,474 31.919,475 0.602,476 24.28,477 0.867,478 6.043,479 0.216,480 7.338,481 0.262,482 0.15,483 0.061,484 0.183,487 0.587,488 1.323,489 0.754,490 1.197,491 0.67,492 1.004,493 0.475,494 1.167,495 0.799,496 1.044,497 0.435,498 1.081,499 0.872,500 1.072,501 1.034,502 1.079,503 0.824,504 1.019,505 1.084,506 1.123,507 1.062,508 1.099,509 1.099,510 1.097,511 0.977,512 0.99,513 0.673,514 0.806,515 1.033,516 0.957,517 0.628,518 0.879,519 0.736,520 0.888,521 0.612,522 0.912,523 0.868,524 0.976,525 0.926,526 1.013,527 0.858,528 0.924,529 1.148,530 0.878,531 0.991,532 0.879,533 1.215,534 0.956,535 6,536 0.173,537 3.333,538 1.5,539 0.884,540 0.729,541 0.508,542 0.356,543 0.222,544 0.198,545 10321,546 35852,547 1.947,548 47.2,549 10,550 7,552 2,553 2,554 2,555 2,558 1.707,559 1.816,560 3.691,561 0.282,563 1,567 91.045,568 1.718,569 3.577,570 4.499,571 5.049,572 5.162,573 5.237,574 3.244,575 4.28,576 4.773,577 3.911,578 1478.38,579 8.283,580 21222.2,582 1,584 1,585 303.58,586 1.496,587 4.724,588 0.207,589 0.007,590 0.088,591 0.041,592 0.028,593 0.025,594 0.017,595 0.012,596 0.008,597 0.007,598 0.439,599 0.33,600 0.88,601 1.817,602 145.21,603 0.037,604 -0.069,605 0.132,606 -0.031,607 -0.091,608 0.03,609 0.259,610 -0.037,611 0.02,612 -0.034,613 0.281,614 -0.087,615 -0.068,616 -0.06,617 -0.04,618 -0.026,619 -0.023,620 -0.004,621 -0.144,622 -0.134,623 -0.135,624 -0.108,625 -0.107,626 -0.118,627 -0.099,628 -0.025,629 0.084,630 0.073,631 -0.12,632 -0.001,633 0.15,634 0.104,635 0.158,636 0.051,637 0.105,638 0.073,639 -0.047,640 0.014,641 0.011,642 0.008,643 -0.022,644 0.078,645 -0.111,646 0.102,647 -0.105,648 0.049,649 -0.121,650 0.002,651 4.483,652 5.331,653 0.429,654 32.714,655 1.01,656 1.126,657 2.515,658 6.323,659 0.669,660 3.401,661 3.664,662 3.784,663 3.892,664 4.025,665 4.007,666 3.951,667 3.912,668 3.97,669 4.043,670 7.944,671 0.627,672 424.99,673 3.401,674 4.905,675 5.694,676 6.529,677 7.34,678 8.182,679 9.003,680 9.85,681 10.677,682 11.528,683 3.8,685 1,693 1,699 7,700 1,704 4,706 12,723 1,724 53,726 15,727 1,728 29,730 54,731 20,733 11,734 2,735 4,739 2,740 2,741 1,751 7,753 12,754 8,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 8,847 1,861 1,862 7.5,864 1,865 3,869 15.417,870 9.043,871 6.319,872 3.295,874 2.261,875 1.334,876 0.93,877 9.066,878 9.04,879 3.664,880 4.205,881 4.575,882 4.978,883 5.414,884 5.447,885 5.452,886 5.306,887 5.532,888 5.851,889 1,890 37,891 10.585,893 4.591,894 8.066,895 19.644,897 15.867,899 2.566,900 71.861,903 1,904 270.735,905 103.463,906 33.191,907 39.149,908 112.141,910 5.807,911 97.656,912 422.025,913 33.191,915 19.847,916 69.594,917 153.379,918 29.517,920 247.193,921 39.149,922 270.735,923 130.846,924 112.141,925 44.956,927 247.193,928 135.683,931 54.347,932 59.714,933 61.742,935 270.735,936 145.332,937 142.612,939 5.807,940 270.735,941 32.18,942 65.476,943 16.405,944 168.075,945 270.735,946 145.332,947 142.612,949 0.568,950 0.302,951 0.144,952 0.076,953 14,954 7,955 0.222,956 12,958 1,959 4.066,960 210.437,962 12,963 128.606,967 1,968 22.509,969 11.278,970 8.017,972 145.332,973 11.497,974 4.167,978 2.849,980 59.088,981 558.679,982 38,986 -3.567,987 35.173,991 -0.754,994 53.516,995 59.681,996 0.3,997 0.624,998 0.785,999 0.881,1000 0.901,1001 0.914,1002 4.868,1003 1.46,1004 5.68,1005 3.401,1006 4.344,1007 4.89,1008 2.258,1009 6.447,1010 4.253,1011 6.072,1012 1.04,1013 7.225,1014 3.067,1015 4.007,1016 4.934,1017 2.243,1018 7.644,1019 3.783,1020 7.397,1021 1,1022 8.898,1023 2.317,1024 5.943,1025 7.139,1026 3.628,1027 10.616,1028 5.738,1029 8.772,1030 1,1031 10.658,1032 2.275,1033 6.463,1034 8.04,1035 4.112,1036 12.714,1037 6.104,1038 10.19,1039 0.351,1040 12.479,1041 2.079,1042 7.912,1043 9.8,1044 5.201,1045 15.328,1046 7.553,1047 11.641,1049 14.342,1050 0.757,1051 8.819,1052 11.058,1053 5.889,1054 17.71,1055 8.312,1056 13.116,1057 -0.225,1058 16.237,1060 10.095,1061 12.67,1062 6.849,1063 20.243,1064 9.552,1065 3.374,1066 -0.424,1067 18.154,1068 -0.495,1069 11.172,1070 14.082,1071 7.625,1072 22.712,1073 10.496,1074 2.843,1075 12.404,1076 20.087,1077 -0.973,1078 12.39,1079 15.642,1080 8.526,1081 25.228,1082 11.65,1083 2.4,1084 9.032,1085 22.033,1086 4.697,1087 13.54,1088 17.123,1089 9.342,1090 27.726,1091 12.679,1092 2.235,1093 6.32,1094 23.987,1095 3.802,1096 14.743,1097 18.667,1098 10.216,1099 30.24,1100 13.8,1101 1.831,1102 5.184,1103 25.948,1104 3.393,1105 15.925,1106 20.18,1107 11.051,1108 32.75,1109 14.868,1110 1.677,1111 4.793,1112 27.914,1113 2.71,1114 17.127,1115 21.721,1116 11.912,1117 35.265,1118 15.976,1119 1.555,1120 4.493,1121 29.884,1122 2.293,1123 18.323,1124 23.249,1125 12.755,1126 37.779,1127 17.063,1128 10448,1129 19675,1130 18.663,1131 35.472,1132 41.592,1133 43.367,1134 42.64,1135 41.828,1136 41.536,1137 54.01,1138 4.682,1139 112.244,1140 39.658,1141 5.781,1142 6.683,1143 7.12,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 16.095,1151 1.434,1152 1.495,1153 1.47,1154 1.442,1155 1.432,1156 1.862,1157 0.161,1158 3.87,1159 1.368,1160 4.079,1161 4.064,1162 4.736,1163 4.065,1164 7.717,1165 3.979,1166 3.932,1167 3.962,1168 3.925,1169 3.853,1170 7.474,1171 3.848,1172 3.745,1173 3.797,1174 3.873,1175 3.614,1176 6.999,1177 3.599,1178 3.652,1179 3.662,1180 3.609,1181 3.571,1182 6.351,1183 3.506,1184 3.499,1185 3.542,1186 3.37,1187 3.325,1188 4.93,1189 3.321,1190 3.3,1191 3.339,1192 3.218,1193 3.136,1194 4.876,1195 3.116,1196 3.174,1197 3.226,1198 3.125,1199 2.962,1200 4.269,1201 2.967,1202 2.854,1203 2.925,1204 3.016,1205 2.735,1206 4.147,1207 2.715,1208 0.167,1209 0.161,1210 0.251,1211 0.148,1212 0.116,1213 4.844,1214 0.162,1215 4.683,1216 0.081,1217 7.293,1218 0.428,1219 4.291,1220 0.106,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.961,1227 1.967,1228 2.071,1229 2.05,1230 1.395,1231 2.078,1232 1.912,1233 1.88,1234 1.968,1235 1.997,1236 1.253,1237 2.027,1238 1.741,1239 1.686,1240 1.947,1241 1.905,1242 1.154,1243 1.926,1244 1.538,1245 1.526,1246 1.755,1247 1.729,1248 1.047,1249 1.751,1250 1.457,1251 1.415,1252 1.637,1253 1.665,1254 0.812,1255 1.676,1256 1.231,1257 1.203,1258 1.417,1259 1.406,1260 0.613,1261 1.449,1262 1.128,1263 1.074,1264 1.181,1265 1.388,1266 0.489,1267 1.394,1268 0.886,1269 0.821,1270 1.141,1271 1.101,1272 0.292,1273 1.115,1274 4.078,1276 5.352,1278 6.808,1280 8.351,1282 9.942,1285 5.8,1289 8.646,1290 5.431,1291 2.618,1300 33.238,1301 91.045,1302 189.564,1303 238.46,1304 267.58,1305 273.58,1306 277.58,1307 89.276,1308 6.779,1309 96.36,1310 104.74,1311 12,1312 12.091,1313 4,1314 3.322,1315 62.237,1316 130,1317 142,1318 0.224,1319 216.376,1320 380.44,1321 519.718,1322 8366,1323 1.9,1324 20.408,1325 0.729,1326 0.613,1327 21.158,1328 17.176,1329 13.382,1330 0.461,1331 0.384,1332 9.338,1333 11.885,1334 9.001,1335 7.471,1336 14.492,1337 11.132,1338 12.028,1339 0.317,1340 0.23,1341 13.759,1342 8.757,1343 8.69,1344 0.202,1345 0.143,1346 10.086,1347 6.131,1348 6.423,1349 0.134,1350 0.084,1351 7.444,1352 4.045,1353 4.82,1354 0.088,1355 0.052,1356 5.772,1357 2.86,1358 0.365,1359 94.759,1360 0.231,1361 27.645,1362 0.577,1363 134,1364 444.398,1365 197.911,1366 476.175,1367 609.82,1368 434,1369 148,1370 371.182,1371 210.974,1372 420.394,1373 599.13,1374 393,1375 7.097} {0 CHEMBL425325,1 1.476,2 14.444,3 6.767,4 45.795,5 137.895,6 7.263,7 0.55,8 4.291,9 4.401,10 3.837,11 3.868,12 5.367,13 3.837,14 4.852,15 5.014,16 4.192,17 4.282,18 5.934,19 4.223,20 5.157,21 5.37,22 4.239,23 4.436,24 6.087,25 4.342,26 5.218,27 5.449,28 4.235,29 4.462,30 6.097,31 4.357,32 5.238,33 5.455,34 4.271,35 4.492,36 6.194,37 4.383,38 5.286,39 5.518,40 4.276,41 4.498,42 6.257,43 4.387,44 5.267,45 5.503,46 4.181,47 4.397,48 6.318,49 4.29,50 5.124,51 5.363,52 4.093,53 4.227,54 6.215,55 4.14,56 0.022,57 0.967,58 13.885,59 6.706,60 9.976,61 8.47,62 0.217,63 1.629,64 26.433,65 11.402,66 46.868,67 14.918,68 0.352,69 2.106,70 38.85,71 15.365,72 61.457,73 20.363,74 0.362,75 2.208,76 41.698,77 15.927,78 48.379,79 21.716,80 0.559,81 2.226,82 42.39,83 16.855,84 56.673,85 22.6,86 0.318,87 2.317,88 45.091,89 18.14,90 66.341,91 24.113,92 0.558,93 2.273,94 45.934,95 17.224,96 97.625,97 22.215,98 0.408,99 1.949,100 40.059,101 14.821,102 79.258,103 19.046,104 12,105 55,106 0.232,107 0.561,108 0.764,109 0.886,110 0.909,111 0.909,112 3.616,113 0.953,114 -5.5,115 -5.37,116 -5.02,118 44.8,120 7,121 1,124 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 17,169 1,172 11,175 1,177 1,180 17,181 1,186 13,191 1,194 15,195 1,198 6,199 1,203 1,206 16,207 2,209 2,210 5,213 1,215 2,218 25,219 2,222 3,227 2,229 23,230 3,233 1,234 9,239 3,242 16,243 3,247 9,252 3,255 11,256 1,259 5,260 1,264 1,267 10,268 1,270 2694,271 24.706,272 24.706,273 24.706,274 24.706,275 24.706,276 21.846,277 25.702,278 14.99,279 25.061,280 19.852,281 19.852,282 19.852,283 19.852,284 19.852,285 15.51,286 25.684,287 7.227,288 20.454,289 4.59,290 2.49,291 1.195,292 0.418,293 0.269,294 0.269,295 4.326,300 1,301 1141,302 3.873,305 67.788,306 403.473,309 252.548,313 2.259,314 36.761,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.79,325 77.5,326 520,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.075,337 3.51,338 6.102,339 3.673,340 2.7,341 3.676,342 0.86,343 8.765,344 2.63,345 3.93,346 2.978,347 5.785,348 3.639,349 2.651,350 3.444,351 0.522,352 8.001,353 2.615,354 3.896,355 2.91,356 5.537,357 3.512,358 2.522,359 3.37,361 7.23,362 2.498,363 3.621,364 2.719,365 5.34,366 3.249,367 2.305,368 2.928,370 6.965,371 2.171,372 3.53,373 2.628,374 5.147,375 3.181,376 2.207,377 2.787,379 6.184,380 2.131,381 3.356,382 2.495,383 4.966,384 2.966,385 2.008,386 2.605,388 5.833,389 1.9,390 3.272,391 2.215,392 4.851,393 2.901,394 1.925,395 2.502,397 5.273,398 1.863,399 2.956,400 1.789,401 4.37,402 2.652,403 1.674,404 2.118,406 4.097,407 1.635,408 2.756,409 1.643,410 3.892,411 2.462,412 1.486,413 1.82,415 3.457,416 1.444,417 2.678,418 1.549,419 3.776,420 2.38,421 1.414,422 1.717,424 3.042,425 1.362,426 2.581,427 1.383,428 3.695,429 2.249,430 1.256,431 1.593,433 2.997,434 1.244,435 2.5,436 1.256,437 3.553,438 2.187,439 1.193,440 1.5,442 2.665,443 1.184,444 2.48,445 1.01,446 3.473,447 1.956,448 1,449 1.47,451 2.335,452 0.954,453 2.192,454 1,455 3.247,456 1.902,457 0.92,458 1.145,460 2.136,461 0.9,462 17.086,463 0.475,464 0.763,465 0.021,466 44.5,467 1.236,468 22,469 0.611,470 22.5,471 0.625,472 35.216,473 0.978,474 38.714,475 0.578,476 34.595,477 0.961,478 8.439,479 0.234,480 9.142,481 0.254,482 0.056,484 0.316,486 1,487 0.688,488 1.09,489 0.79,490 1.052,491 0.599,492 0.961,493 0.691,494 1.079,495 0.905,496 1.074,497 0.45,498 1.033,499 0.958,500 1.025,501 1.004,502 1.005,503 0.838,504 1.012,505 0.834,506 0.934,507 0.994,508 0.984,509 0.641,510 1.002,511 0.779,512 0.904,513 1.01,514 1.037,515 0.783,516 1.065,517 0.865,518 1.009,519 0.943,520 1.073,521 0.963,522 1.032,523 1.286,524 1.024,525 1.075,526 1.016,527 1.338,528 1.012,529 1.329,530 1.046,531 0.96,532 0.991,533 1.259,534 0.928,535 6,536 0.164,537 2.667,538 2.674,539 1.64,540 1.344,541 0.746,542 0.642,543 0.413,544 0.239,545 21312,546 54656,547 2.137,548 46.3,549 10,550 13,552 2,553 1,554 3,555 2,558 1.773,559 2.038,560 3.716,561 -0.438,567 98.886,568 1.476,569 3.576,570 4.871,571 5.648,572 5.797,573 5.797,574 3.173,575 4.725,576 5.134,577 3.978,578 2506.25,579 9.025,580 41072.7,585 406.428,586 1.256,587 5.118,588 0.15,589 0.005,590 0.048,591 0.048,592 0.03,593 0.024,594 0.013,595 0.013,596 0.009,597 0.006,598 0.347,599 0.17,600 0.63,601 0.73,602 198.293,603 -0.025,604 -0.055,605 0.045,606 0.007,607 -0.016,608 0.031,609 0.049,610 -0.081,611 -0.015,612 -0.056,613 0.139,614 -0.049,615 -0.087,616 -0.051,617 -0.053,618 -0.011,619 -0.073,620 -0.025,621 -0.066,622 0.007,623 -0.044,624 -0.012,625 -0.026,626 -0.018,627 0.062,628 0.013,629 -0.06,630 -0.045,631 -0.023,632 -0.074,633 -0.009,634 -0.069,635 0.022,636 -0.071,637 -0.048,638 -0.027,639 -0.082,640 -0.002,641 -0.052,642 -0.029,643 -0.104,644 -0.032,645 -0.064,646 -0.034,647 0.079,648 -0.008,649 -0.013,650 0.051,651 2.463,652 6.15,653 0.694,654 47.194,655 0.999,656 1.122,657 4.268,658 18.216,659 0.668,660 3.714,661 4.025,662 4.304,663 4.644,664 4.934,665 5.069,666 5.257,667 5.442,668 5.501,669 5.568,670 8.454,671 0.634,672 486.63,673 3.714,674 5.252,675 6.103,676 6.989,677 7.869,678 8.772,679 9.669,680 10.583,681 11.492,682 12.414,683 3,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 67,726 23,727 2,728 40,730 71,731 30,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 7,753 20,754 10,755 1,756 1,761 1,765 1,770 1,772 31,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,818 1,830 1,832 3,838 1,840 36,845 1,846 9,848 1,850 1,861 1,862 4.5,864 1,865 1,867 1,869 17.667,870 11.826,871 7.917,872 4.329,874 4.165,875 1.484,876 0.986,877 7.672,878 12.772,879 3.97,880 4.567,881 5.147,882 5.785,883 6.356,884 6.668,885 7.105,886 7.549,887 7.795,888 8.081,889 1,890 56,891 13.417,893 5.804,894 7.759,895 25.923,897 21.948,899 2.259,900 81.333,904 353.133,905 160.126,906 18.685,908 78.828,909 14.96,911 160.126,912 431.961,913 33.645,915 24.44,916 85.286,917 109.066,918 57.488,919 19.861,920 329.591,922 353.133,923 178.81,924 93.788,927 344.551,928 102.37,931 44.434,932 117.591,933 16.786,935 368.093,936 97.513,937 160.126,940 353.133,941 56.745,942 105.28,944 110.574,945 353.133,946 112.473,947 160.126,949 0.571,950 0.321,951 0.188,952 0.112,953 26,954 11,955 0.141,956 10,957 2,958 1.16,959 4.727,960 346.883,961 0.16,962 25,963 186.117,968 24.522,969 11.263,970 5.815,971 1.863,972 110.574,973 20.732,974 4.159,978 5.025,979 2.198,980 42.683,981 625.732,982 52,987 11.6,991 -0.797,994 66.952,995 75.193,996 0.243,997 0.59,998 0.803,999 0.931,1000 0.956,1001 0.956,1002 5.201,1003 1.925,1004 6.071,1005 5.833,1006 4.71,1007 5.255,1008 2.45,1009 6.882,1010 4.653,1011 6.394,1012 1.674,1013 7.616,1014 5.273,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.695,1021 1.486,1022 9.268,1023 4.097,1024 6.282,1025 7.459,1026 3.661,1027 10.965,1028 6.175,1029 9.033,1030 1.414,1031 10.987,1032 3.457,1033 6.635,1034 8.123,1035 4.112,1036 12.826,1037 6.489,1038 10.41,1039 1.256,1040 12.754,1041 3.042,1042 8.168,1043 10.021,1044 5.206,1045 15.541,1046 8.009,1047 11.815,1048 1.193,1049 14.557,1050 2.997,1051 8.96,1052 11.135,1053 5.889,1054 17.817,1055 8.765,1056 13.246,1057 1,1058 16.389,1059 2.665,1060 10.273,1061 12.817,1062 6.849,1063 20.396,1064 10.059,1065 3.405,1066 0.92,1067 18.245,1068 2.335,1069 11.29,1070 14.163,1071 7.625,1072 22.834,1073 11.041,1074 2.7,1075 12.577,1076 20.119,1077 2.136,1078 12.523,1079 15.759,1080 8.526,1081 25.376,1082 12.251,1083 2.651,1084 8.765,1085 22.01,1086 4.744,1087 13.648,1088 17.218,1089 9.342,1090 27.874,1091 13.342,1092 2.522,1093 8.001,1094 23.915,1095 3.676,1096 14.86,1097 18.783,1098 10.216,1099 30.407,1100 14.526,1101 2.305,1102 7.23,1103 25.83,1104 3.444,1105 16.036,1106 20.294,1107 11.051,1108 32.926,1109 15.67,1110 2.207,1111 6.965,1112 27.755,1113 3.37,1114 17.246,1115 21.85,1116 11.912,1117 35.457,1118 16.851,1119 2.008,1120 6.184,1121 29.688,1122 2.928,1123 18.445,1124 23.385,1125 12.755,1126 37.984,1127 18.02,1128 19939,1129 32089,1130 27.334,1131 44.733,1132 59.429,1133 60.447,1134 60.366,1135 59.056,1136 58.942,1137 76.62,1138 7.445,1139 166.672,1140 57.186,1141 5.744,1142 5.655,1143 6.959,1144 5.434,1145 5.405,1146 7.744,1147 3.925,1148 20.111,1149 5.308,1150 14.42,1151 1.486,1152 1.511,1153 1.509,1154 1.476,1155 1.474,1156 1.916,1157 0.186,1158 4.167,1159 1.43,1160 4.195,1161 4.226,1162 4.16,1163 4.111,1164 8.201,1165 4.119,1166 3.92,1167 3.956,1168 3.851,1169 3.839,1170 7.474,1171 3.837,1172 3.879,1173 3.909,1174 3.813,1175 3.796,1176 6.351,1177 3.794,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.914,1183 3.629,1184 3.595,1185 3.657,1186 3.444,1187 3.449,1188 4.877,1189 3.438,1190 3.467,1191 3.492,1192 3.383,1193 3.263,1194 4.795,1195 3.278,1196 3.367,1197 3.43,1198 3.257,1199 3.191,1200 4.345,1201 3.199,1202 3.171,1203 3.234,1204 3.024,1205 2.99,1206 4.214,1207 2.986,1208 0.12,1209 0.091,1210 0.179,1211 0.109,1212 0.085,1213 4.794,1214 0.119,1215 3.655,1216 0.059,1217 7.157,1218 0.314,1219 4.376,1220 0.083,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.067,1230 1.45,1231 2.065,1232 1.934,1233 1.905,1234 2.052,1235 2.028,1236 1.316,1237 2.042,1238 1.878,1239 1.838,1240 2.027,1241 2.003,1242 1.225,1243 2.014,1244 1.826,1245 1.793,1246 1.949,1247 1.939,1248 1.093,1249 1.943,1250 1.597,1251 1.537,1252 1.83,1253 1.775,1254 0.978,1255 1.799,1256 1.4,1257 1.365,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.331,1263 1.269,1264 1.535,1265 1.541,1266 0.749,1267 1.544,1268 1.155,1269 1.09,1270 1.458,1271 1.386,1272 0.651,1273 1.411,1274 4.394,1276 5.707,1277 2.398,1278 7.215,1279 4.949,1280 8.821,1281 7.248,1282 10.486,1286 14.15,1289 9.524,1290 6.907,1292 6.041,1294 -0.069,1300 42.472,1301 98.886,1302 239.625,1303 326.389,1304 378.428,1305 388.428,1306 388.428,1307 72.315,1308 8.607,1309 64.35,1310 64.35,1311 29,1312 12.925,1313 4.585,1314 3.7,1315 54.63,1316 178,1317 222,1318 0.145,1319 256.148,1320 447.56,1321 616.761,1322 81062,1323 1.5,1324 24.907,1325 0.692,1326 0.565,1327 24.037,1328 20.328,1329 17.581,1330 0.44,1331 0.318,1332 12.581,1333 17.015,1334 12.347,1335 10.163,1336 17.187,1337 12.712,1338 15.748,1339 0.286,1340 0.175,1341 15.114,1342 9.613,1343 12.683,1344 0.174,1345 0.097,1346 12.341,1347 7.052,1348 11.269,1349 0.109,1350 0.053,1351 11.048,1352 5.471,1353 9.655,1354 0.07,1355 0.03,1356 9.374,1357 4.08,1358 0.232,1359 109.45,1360 0.191,1361 33.358,1362 0.385,1363 190,1364 561.022,1365 205.937,1366 516.609,1367 698.12,1368 484,1369 223,1370 504.088,1371 237.219,1372 504.559,1373 736.87,1374 477,1375 7} {0 CHEMBL42609,1 1.662,2 7.833,3 1.706,4 2.91,5 63.999,6 8.652,7 0.75,8 3.492,9 3.573,10 3.179,11 3.022,12 4.757,13 3.054,14 3.956,15 4.074,16 3.536,17 3.392,18 5.318,19 3.412,20 4.102,21 4.244,22 3.408,23 3.423,24 5.366,25 3.38,26 4.132,27 4.342,28 3.262,29 3.318,30 5.223,31 3.266,32 3.897,33 4.084,34 3.149,35 3.151,36 5.082,37 3.112,38 3.835,39 4.006,40 3.037,41 2.987,42 5.12,43 2.97,44 3.6,45 3.813,46 2.731,47 2.685,48 4.73,49 2.659,50 3.256,51 3.42,52 2.459,53 2.4,54 4.585,55 2.378,56 0.1,57 0.4,58 4.159,59 2.369,60 9.209,61 2.405,62 0.28,63 0.638,64 7.724,65 3.634,66 30.324,67 3.839,68 0.403,69 0.672,70 10.251,71 4.837,72 30.649,73 5.478,74 0.338,75 0.683,76 13.37,77 5.013,78 35.558,79 6.158,80 0.269,81 0.544,82 9.828,83 3.97,84 15.817,85 4.827,86 0.254,87 0.503,88 8.863,89 3.453,90 29.337,91 3.827,92 0.273,93 0.383,94 8.392,95 2.736,96 28.588,97 3.295,98 0.248,99 0.27,100 5.288,101 1.787,102 23.101,103 1.909,104 6,105 28,106 0.315,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.96,113 0.816,114 -2.47,115 -2.5,116 -2.44,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 4,173 1,175 1,180 5,181 1,185 1,186 5,189 1,191 1,194 4,195 1,198 4,203 1,206 1,207 2,209 1,210 5,215 2,219 2,222 4,227 2,233 1,234 1,235 1,246 1,247 1,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.199,279 12.353,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.468,288 10.188,289 3.146,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 18.794,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 40,326 141,327 4.518,328 3.588,329 6.339,330 4.059,331 3.059,332 4.455,333 1.437,334 9.768,335 3.056,336 4.005,337 3.022,338 5.745,339 3.619,340 2.658,341 3.534,342 0.522,343 7.828,344 2.571,345 3.834,346 2.746,347 5.518,348 3.397,349 2.428,350 3.292,352 7.24,353 2.329,354 3.474,355 2.242,356 5.003,357 3.036,358 2.054,359 2.821,361 5.926,362 2.003,363 3.028,364 1.657,365 4.41,366 2.528,367 1.528,368 2.288,370 4.3,371 1.527,372 2.637,373 1.505,374 3.709,375 2.129,376 1.185,377 1.652,379 2.682,380 1.111,381 2.554,382 1.226,383 3.431,384 2.028,385 1.039,386 1.509,388 2.491,389 1.013,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.95,400 0.537,401 3,402 1.47,403 0.475,404 0.692,406 1.211,407 0.472,408 1.142,409 0.424,410 2.726,411 0.791,412 -0.178,413 -0.228,415 -0.512,416 -0.171,417 0.686,418 0.003,419 2.25,420 0.218,421 -0.774,422 -1.05,424 -2,425 -0.756,426 0.479,427 -0.703,428 2,429 0.02,430 -0.96,431 -1.292,433 -2.203,434 -0.938,435 0.465,436 -0.896,437 1.868,439 -1,440 -1.393,442 -2.666,443 -0.965,444 0.064,445 -1.16,446 1.384,447 -0.291,448 -1.274,449 -1.748,451 -3.496,452 -1.289,453 -0.095,454 -1.342,455 1.288,456 -0.551,457 -1.51,458 -1.984,460 -4.17,461 -1.433,462 8.3,463 0.461,464 0.452,465 0.025,466 25.75,467 1.431,468 13.5,469 0.75,470 12.25,471 0.681,472 9.83,473 0.546,474 18.7,475 0.668,476 16.366,477 0.909,478 5.376,479 0.299,480 3.344,481 0.186,482 0.08,484 0.349,487 0.853,488 1.282,489 0.662,490 1.011,491 0.731,492 0.833,493 0.761,494 0.909,495 0.798,496 0.892,497 0.425,498 0.839,499 0.695,500 1.1,501 1.086,502 1.204,503 0.611,504 1.25,505 0.912,506 0.914,507 0.972,508 0.958,509 0.823,510 0.972,511 0.803,512 0.976,513 0.901,514 0.994,515 0.62,516 0.987,517 1.211,518 1.262,519 1.165,520 1.239,521 1.372,522 1.202,523 1.147,524 0.813,525 0.997,526 0.8,527 1.006,528 0.844,529 1.327,530 0.894,531 1.302,532 0.847,533 1.898,534 1.044,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 9944,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.583,559 2,560 3.005,561 -0.225,563 1,565 1,567 46.526,568 1.662,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.113,604 -0.217,605 0.025,606 -0.06,607 -0.111,609 0.046,610 0.187,611 -0.027,612 0.033,613 0.194,614 0.009,615 0.157,616 -0.153,617 -0.211,618 -0.217,619 0.09,620 -0.295,621 -0.082,622 0.01,623 0.062,624 0.034,625 -0.051,626 0.082,627 0.018,628 -0.043,629 0.079,631 0.069,632 0.039,633 -0.191,634 -0.322,635 -0.177,636 -0.286,637 -0.199,638 -0.242,639 -0.073,640 0.11,641 0.117,642 0.168,643 -0.098,644 0.189,645 -0.058,646 0.068,647 -0.268,648 0.087,649 -0.355,650 -0.126,651 2.72,652 3.806,653 0.778,654 13.136,655 1.026,656 1.117,657 1.239,658 1.535,659 0.694,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.689,672 242.25,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 7.1,691 1,693 1,698 2,699 7,700 1,702 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,771 1,772 10,773 4,774 1,775 5,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,840 18,845 1,846 1,862 10.7,864 1,865 1,867 1,869 9,870 5.017,871 3.889,872 1.514,874 2.882,875 1.444,876 0.982,877 2.647,878 9.371,879 3.384,880 4.034,881 4.642,882 5.27,883 5.714,884 6.11,885 6.505,886 6.958,887 7.073,888 7.316,889 1,890 23,891 6.601,893 2.847,894 8.019,895 12.244,897 9.95,899 2.519,900 45.333,901 0.001,904 105.94,905 83.678,906 18.685,908 77.336,911 83.678,912 183.276,913 18.685,915 2.106,916 46.952,917 117.684,918 26.212,919 22.056,920 70.627,922 105.94,923 102.362,924 77.336,927 105.94,928 77.336,931 21.671,932 63.906,933 16.786,935 105.94,936 96.02,937 83.678,940 105.94,941 19.059,942 66.518,944 94.121,945 105.94,946 96.02,947 83.678,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,968 11.05,969 4.312,970 2.181,971 1.381,972 94.121,973 12.499,974 3.97,976 5.265,978 0.997,979 1.933,980 42.683,981 285.638,982 28.5,987 10.806,991 -1.053,994 28.72,995 31.286,996 0.346,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.997,1011 5.819,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.559,1020 7.13,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.983,1026 2.269,1027 10.044,1028 5.532,1029 8.479,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.672,1036 11.651,1037 5.916,1038 9.858,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.54,1044 2.925,1045 14.208,1046 7.356,1047 11.258,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.638,1054 16.168,1055 8.114,1056 12.675,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 12.277,1062 3.619,1063 18.54,1064 9.346,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 13.579,1072 20.666,1073 10.284,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 15.124,1080 4.33,1081 22.97,1082 11.432,1083 2.428,1084 7.828,1085 20.817,1086 4.455,1087 12.544,1088 16.524,1090 25.174,1091 12.457,1092 2.054,1093 7.24,1094 22.612,1095 3.534,1096 13.661,1097 18.033,1098 5.047,1099 27.455,1100 13.576,1101 1.528,1102 5.926,1103 24.413,1104 3.292,1105 14.723,1106 19.481,1108 29.696,1109 14.643,1110 1.185,1111 4.3,1112 26.219,1113 2.821,1114 15.829,1115 20.977,1116 5.769,1117 31.971,1118 15.752,1119 1.039,1120 2.682,1121 28.028,1122 2.288,1123 16.914,1124 22.447,1126 34.23,1127 16.842,1128 2864,1129 5361,1130 13.523,1131 19.421,1132 30.587,1133 30.79,1134 30.235,1135 30.088,1136 30.089,1137 42.343,1138 3.916,1139 85.638,1140 29.32,1141 5.288,1142 5.588,1143 5.954,1144 5.103,1145 5.059,1146 7.455,1147 2.873,1148 16.235,1149 5.056,1150 7.237,1151 1.529,1152 1.539,1153 1.512,1154 1.504,1155 1.504,1156 2.117,1157 0.196,1158 4.282,1159 1.466,1160 4.118,1161 4.129,1162 4.085,1163 4.02,1164 7.475,1165 4.032,1166 3.89,1167 3.948,1168 3.838,1169 3.682,1170 6.351,1171 3.713,1172 3.506,1173 3.514,1174 3.457,1175 3.35,1176 5.1,1177 3.37,1178 3.132,1179 3.148,1180 3.06,1181 2.901,1182 4.947,1183 2.93,1184 2.94,1185 2.974,1186 2.825,1187 2.749,1188 4.34,1189 2.766,1190 2.707,1191 2.787,1192 2.539,1193 2.483,1194 3.848,1195 2.488,1196 2.467,1197 2.567,1198 2.258,1199 2.267,1200 3.539,1201 2.253,1202 2.175,1203 2.263,1204 2.029,1205 1.919,1206 3.324,1207 1.933,1208 0.226,1209 0.179,1210 0.317,1211 0.203,1212 0.153,1213 4.518,1214 0.223,1215 3.588,1216 0.072,1217 6.339,1218 0.488,1219 4.059,1220 0.153,1221 3.059,1222 4.455,1223 1.437,1224 9.768,1225 3.056,1226 1.947,1227 1.927,1228 2.04,1229 2.035,1230 1.215,1231 2.037,1232 1.553,1233 1.523,1234 1.694,1235 1.747,1236 0.863,1237 1.733,1238 1.451,1239 1.43,1240 1.541,1241 1.72,1242 0.55,1243 1.651,1244 1.293,1245 1.226,1246 1.461,1247 1.525,1248 0.41,1249 1.513,1250 0.972,1251 0.936,1252 1.16,1253 1.19,1254 0.199,1255 1.176,1256 0.872,1257 0.842,1258 1.115,1259 1.139,1260 0.165,1261 1.113,1262 0.604,1263 0.555,1264 0.93,1265 0.926,1267 0.948,1268 0.307,1269 0.23,1270 0.667,1271 0.65,1273 0.673,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 8.856,1290 0.68,1300 19.294,1301 46.526,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 22.857,1308 6.489,1309 68.26,1310 68.26,1311 16,1312 12.073,1313 4.087,1314 3.248,1315 25.846,1316 54,1317 40,1318 0.252,1319 118.376,1320 193.57,1321 280.598,1322 4778,1324 12.535,1325 0.696,1326 0.523,1327 12.535,1328 9.407,1329 8.72,1330 0.436,1331 0.272,1332 5.335,1333 8.289,1334 5.249,1335 4.338,1336 8.72,1337 5.437,1338 8.061,1339 0.288,1340 0.144,1341 8.061,1342 4.023,1343 6.544,1344 0.182,1345 0.076,1346 6.544,1347 2.72,1348 5.373,1349 0.114,1350 0.04,1351 5.373,1352 1.87,1353 3.993,1354 0.074,1355 0.022,1356 3.993,1357 1.168,1358 0.388,1359 55.406,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 332.911,1365 108.16,1366 316.412,1367 425.38,1368 294,1369 112,1370 310.869,1371 124.385,1372 312.536,1373 454.2,1374 292,1375 7.699} {0 CHEMBL42677,1 1.41,2 20.74,3 7.281,4 53.016,5 191.208,6 7.289,7 0.444,8 4.609,9 4.706,10 4.138,11 4.159,12 5.74,13 4.135,14 5.139,15 5.28,16 4.464,17 4.538,18 6.304,19 4.485,20 5.434,21 5.628,22 4.53,23 4.692,24 6.434,25 4.61,26 5.524,27 5.732,28 4.532,29 4.71,30 6.526,31 4.622,32 5.517,33 5.722,34 4.569,35 4.772,36 6.482,37 4.679,38 5.588,39 5.801,40 4.589,41 4.832,42 6.565,43 4.723,44 5.629,45 5.857,46 4.549,47 4.815,48 6.575,49 4.696,50 5.545,51 5.771,52 4.505,53 4.751,54 6.496,55 4.638,56 0.079,57 1.171,58 19.271,59 9.443,60 23.847,61 11.487,62 0.536,63 1.91,64 35.57,65 15.527,66 86.757,67 19.544,68 0.485,69 2.471,70 50.953,71 20.648,72 97.318,73 26.728,74 0.855,75 2.624,76 58.017,77 21.945,78 122.567,79 28.371,80 0.615,81 2.691,82 56.087,83 22.471,84 99.542,85 29.383,86 0.68,87 2.92,88 60.14,89 24.207,90 114.581,91 32.226,92 1.016,93 2.969,94 64.785,95 24.874,96 121.333,97 33.335,98 0.537,99 2.765,100 58.331,101 23.235,102 93.625,103 31.184,104 50,105 71,106 0.207,107 0.532,108 0.737,109 0.873,110 0.915,111 0.918,112 3.934,113 0.941,114 -5.5,115 -5.38,116 -5.02,118 44.1,120 7,121 1,124 2,126 1,127 1,133 3,134 1,140 14,141 5,142 2,143 2,154 2,163 2,167 2,168 28,169 2,171 1,172 12,175 2,177 4,180 30,181 2,186 15,191 4,194 25,195 2,198 17,201 1,203 4,206 24,207 2,210 14,215 3,218 31,219 2,222 10,225 1,227 4,229 36,230 2,233 3,234 9,239 5,242 38,243 2,247 4,248 2,252 5,255 32,256 4,258 2,259 12,260 1,262 2,264 6,267 26,268 3,270 6504,271 34.086,272 34.086,273 34.086,274 34.086,275 34.086,276 30.301,277 30.391,278 20.953,279 34.401,280 26.734,281 26.734,282 26.734,283 26.734,284 26.734,285 21.202,286 29.565,287 10.05,288 27.268,289 5.129,290 2.913,291 1.51,292 0.585,293 0.301,294 0.28,295 4.637,301 2200,302 5.099,306 979.547,313 3.011,314 56.098,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 108.5,326 1037,327 4.391,328 3.607,329 6.681,330 4.109,331 3.139,332 3.985,333 2.341,334 10.786,335 3.042,336 4.334,337 3.597,338 6.508,339 4.023,340 3.027,341 3.856,342 2.341,343 10.223,344 3.015,345 4.127,346 3.596,347 6.129,348 3.805,349 2.812,350 3.691,351 1.902,352 8.997,353 2.793,354 3.916,355 3.203,356 5.659,357 3.518,358 2.559,359 3.474,360 1.151,361 7.419,362 2.456,363 3.731,364 3.091,365 5.503,366 3.433,367 2.456,368 2.977,369 0.869,370 7.346,371 2.395,372 3.572,373 2.913,374 5.31,375 3.312,376 2.32,377 2.835,378 0.22,379 6.828,380 2.3,381 3.551,382 2.639,383 5.021,384 3.24,385 2.235,386 2.735,388 5.819,389 2.222,390 3.539,391 2.546,392 4.66,393 3.236,394 2.231,395 2.71,397 5.184,398 2.217,399 3.465,400 2.168,401 4.659,402 3.015,403 2.048,404 2.691,406 5.184,407 1.974,408 3.123,409 2.152,410 4.564,411 2.7,412 1.72,413 2.206,415 4.54,416 1.68,417 3.021,418 2,419 4.356,420 2.668,421 1.678,422 2.19,424 4.103,425 1.656,426 2.873,427 1.931,428 4.132,429 2.497,430 1.528,431 2.024,433 3.809,434 1.476,435 2.817,436 1.807,437 3.813,438 2.452,439 1.475,440 1.897,442 3.166,443 1.436,444 2.757,445 1.552,446 3.637,447 2.409,448 1.42,449 1.812,451 3.124,452 1.4,453 2.671,454 1.534,455 3.631,456 2.391,457 1.414,458 1.718,460 3.032,461 1.374,462 23.567,463 0.471,464 0.976,465 0.02,466 60.75,467 1.215,468 30.5,469 0.61,470 30.25,471 0.605,472 51.387,473 1.028,474 54.433,475 0.585,476 56.865,477 1.137,478 12.218,479 0.244,480 12.15,481 0.243,482 0.071,484 0.276,487 0.836,488 1.112,489 0.828,490 1.064,491 0.783,492 0.965,493 0.795,494 1.126,495 0.974,496 1.122,497 0.506,498 1.086,499 0.97,500 1.082,501 0.993,502 1.082,503 0.874,504 1.05,505 1.147,506 0.954,507 1.031,508 0.957,509 0.83,510 0.972,511 0.951,512 0.997,513 0.99,514 0.993,515 0.72,516 0.999,517 0.797,518 1.058,519 1.016,520 1.065,521 0.714,522 1.077,523 0.853,524 0.932,525 1.007,526 0.952,527 0.648,528 0.999,529 0.79,530 1.053,531 0.965,532 1.063,533 0.689,534 1.049,535 8,536 0.335,537 4.667,538 2.375,539 1.951,540 1.521,541 0.967,542 0.575,543 0.664,544 0.453,545 54340,546 152484,547 2.074,548 46.2,549 10,550 22,551 1,552 2,553 3,554 4,556 1,558 1.85,559 1.974,560 4.27,561 0.601,567 131.153,568 1.41,569 3.626,570 5.03,571 5.955,572 6.238,573 6.26,574 3.701,575 5.269,576 5.612,577 4.501,578 5513.17,579 9.973,580 122932,585 608.142,586 1.25,587 5.59,588 0.148,589 0.005,590 0.066,591 0.032,592 0.027,593 0.019,594 0.012,595 0.008,596 0.009,597 0.007,598 0.334,599 0.17,600 0.5,601 1.56,602 308.935,603 -0.059,604 0.004,605 0.024,606 0.027,607 -0.079,608 0.038,609 0.104,610 -0.058,611 -0.063,612 -0.076,613 0.151,614 -0.096,615 -0.068,616 -0.074,617 -0.038,618 -0.067,619 -0.072,620 -0.05,621 -0.086,622 0.028,623 -0.036,624 0.035,625 -0.051,626 0.012,627 -0.085,628 0.007,629 -0.033,630 0.018,631 -0.055,632 0.004,633 -0.022,634 -0.046,635 -0.069,636 -0.055,637 -0.035,638 -0.067,639 0.007,640 0.056,641 -0.031,642 0.042,643 -0.028,644 0.005,645 -0.026,646 -0.059,647 -0.009,648 -0.058,649 -0.032,650 -0.034,651 2.497,652 4.636,653 0.6,654 88.406,655 1.003,656 1.117,657 4.269,658 18.221,659 0.663,660 4.007,661 4.277,662 4.5,663 4.736,664 4.984,665 5.05,666 5.204,667 5.338,668 5.464,669 5.553,670 11.82,671 0.632,672 677.85,673 4.007,674 5.525,675 6.347,676 7.198,677 8.043,678 8.904,679 9.76,680 10.628,681 11.493,682 12.365,683 1.1,693 1,699 16,700 1,704 7,706 24,721 1,722 1,724 93,726 28,727 3,728 54,730 97,731 41,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 8,753 29,754 12,755 1,756 4,761 2,763 3,765 3,772 43,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 50,845 3,846 9,848 3,850 3,862 8.6,864 3,865 2,866 2,867 1,869 25.333,870 15.967,871 11.25,872 5.61,874 4.128,875 1.46,876 0.931,877 13.927,878 13.105,879 4.263,880 4.771,881 5.242,882 5.74,883 6.254,884 6.361,885 6.717,886 7.04,887 7.377,888 7.694,889 0.929,890 74,891 18.565,893 7.842,894 7.853,895 35.289,897 28.749,899 2.353,900 117.667,904 470.844,905 232.654,906 16.786,908 211.34,911 232.654,912 682.184,913 16.786,915 26.926,916 161.456,917 242.487,918 53.452,919 11.771,920 435.531,922 470.844,923 249.439,924 211.34,927 459.073,928 201.111,929 22,930 0.36,931 45.021,932 158.844,933 45.214,935 470.844,936 228.125,937 232.654,940 471.204,941 53.103,942 179.191,944 228.125,945 470.844,946 228.125,947 232.654,949 0.564,950 0.311,951 0.167,952 0.094,953 28,954 13,955 0.175,956 17,958 1,959 5.871,960 507.986,962 30,963 278.193,968 36.69,969 18.98,970 11.219,972 228.125,973 30.426,974 4.29,978 5.363,980 128.05,981 931.623,982 70,987 21.746,989 5.958,991 -0.586,994 93.276,995 103.893,996 0.216,997 0.555,998 0.769,999 0.911,1000 0.954,1001 0.957,1002 5.476,1003 2.231,1004 6.293,1005 5.819,1006 4.963,1007 5.46,1008 3.358,1009 7.041,1010 4.922,1011 6.639,1012 2.048,1013 7.808,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.316,1020 7.906,1021 1.72,1022 9.426,1023 5.184,1024 6.485,1025 7.504,1026 4.58,1027 10.949,1028 6.41,1029 9.204,1030 1.678,1031 11.112,1032 4.54,1033 6.746,1034 7.869,1035 4.929,1036 12.658,1037 6.657,1038 10.535,1039 1.528,1040 12.843,1041 4.103,1042 8.288,1043 9.828,1044 6.055,1045 15.264,1046 8.18,1047 11.889,1048 1.475,1049 14.607,1050 3.809,1051 8.972,1052 10.606,1053 6.678,1054 17.342,1055 8.846,1056 13.261,1057 1.42,1058 16.395,1059 3.166,1060 10.264,1061 12.307,1062 7.643,1063 19.78,1064 10.121,1065 3.139,1066 1.414,1067 18.201,1068 3.124,1069 11.166,1070 13.318,1071 8.387,1072 22.014,1073 11.002,1074 3.027,1075 10.786,1076 20.021,1077 3.032,1078 12.348,1079 14.877,1080 9.284,1081 24.395,1082 12.167,1083 2.812,1084 10.223,1085 21.853,1086 3.985,1087 13.359,1088 16.026,1089 10.083,1090 26.696,1091 13.157,1092 2.559,1093 8.997,1094 23.693,1095 3.856,1096 14.497,1097 17.502,1098 10.951,1099 29.057,1100 14.277,1101 2.456,1102 7.419,1103 25.541,1104 3.691,1105 15.562,1106 18.733,1107 11.776,1108 31.388,1109 15.321,1110 2.32,1111 7.346,1112 27.394,1113 3.474,1114 16.685,1115 20.161,1116 12.633,1117 33.746,1118 16.423,1119 2.235,1120 6.828,1121 29.253,1122 2.977,1123 17.778,1124 21.444,1125 13.47,1126 36.091,1127 17.495,1128 52097,1129 87391,1130 36.463,1131 61.631,1132 79.591,1133 80.377,1134 80.053,1135 78.603,1136 78.573,1137 100.363,1138 17.647,1139 212.06,1140 76.848,1141 5.391,1142 5.607,1143 6.483,1144 5.182,1145 5.139,1146 6.985,1147 3.925,1148 17.864,1149 5.042,1150 24.359,1151 1.474,1152 1.488,1153 1.482,1154 1.456,1155 1.455,1156 1.859,1157 0.327,1158 3.927,1159 1.423,1160 4.048,1161 4.07,1162 3.987,1163 3.97,1164 7.477,1165 3.97,1166 3.967,1167 3.989,1168 3.911,1169 3.894,1170 7.472,1171 3.894,1172 3.897,1173 3.922,1174 3.835,1175 3.839,1176 6.469,1177 3.835,1178 3.794,1179 3.827,1180 3.73,1181 3.704,1182 6.352,1183 3.706,1184 3.764,1185 3.804,1186 3.657,1187 3.662,1188 6.35,1189 3.653,1190 3.724,1191 3.773,1192 3.598,1193 3.586,1194 4.951,1195 3.577,1196 3.63,1197 3.661,1198 3.529,1199 3.46,1200 4.876,1201 3.466,1202 3.464,1203 3.497,1204 3.366,1205 3.303,1206 4.81,1207 3.309,1208 0.081,1209 0.067,1210 0.124,1211 0.076,1212 0.058,1213 4.391,1214 0.074,1215 3.607,1216 0.043,1217 6.681,1218 0.2,1219 4.109,1220 0.056,1221 3.139,1222 3.985,1223 2.341,1224 10.786,1225 3.042,1226 1.977,1227 1.956,1228 2.079,1229 2.074,1230 1.366,1231 2.074,1232 1.95,1233 1.93,1234 2.066,1235 2.051,1236 1.326,1237 2.056,1238 1.899,1239 1.875,1240 2.016,1241 1.981,1242 1.184,1243 1.993,1244 1.779,1245 1.747,1246 1.949,1247 1.901,1248 1.146,1249 1.917,1250 1.763,1251 1.722,1252 1.947,1253 1.89,1254 1.136,1255 1.909,1256 1.717,1257 1.665,1258 1.894,1259 1.886,1260 1.014,1261 1.893,1262 1.586,1263 1.548,1264 1.8,1265 1.781,1266 0.943,1267 1.784,1268 1.421,1269 1.382,1270 1.642,1271 1.625,1272 0.834,1273 1.624,1274 4.691,1276 5.974,1278 7.445,1280 9.007,1282 10.622,1289 28.501,1290 4.24,1292 18.827,1294 -1.098,1300 58.803,1301 131.153,1302 337.26,1303 467.745,1304 553.777,1305 580.142,1306 582.142,1307 131.216,1308 8.977,1309 135.41,1310 135.41,1311 30,1312 12.908,1313 4.858,1314 4.087,1315 90.767,1316 363,1317 352,1318 0.12,1319 359.015,1320 651.54,1321 867.757,1322 130735,1324 35.133,1325 0.703,1326 0.558,1327 35.133,1328 27.896,1329 24.368,1330 0.451,1331 0.314,1332 16.741,1333 23.567,1334 16.43,1335 13.59,1336 24.368,1337 16.933,1338 21.199,1339 0.299,1340 0.172,1341 21.199,1342 12.237,1343 16.717,1344 0.188,1345 0.096,1346 16.717,1347 8.502,1348 13.661,1349 0.121,1350 0.052,1351 13.661,1352 5.882,1353 11.325,1354 0.078,1355 0.029,1356 11.325,1357 4.152,1358 0.197,1359 152.229,1360 0.166,1361 43.942,1362 0.305,1363 250,1364 760.772,1365 273.862,1366 721.746,1367 960.1,1368 674,1369 285,1370 670.931,1371 306.432,1372 677.068,1373 983.75,1374 637,1375 8} {0 CHEMBL427300,1 1.481,2 16.135,3 6.901,4 47.629,5 141.857,6 7.525,7 0.537,8 4.279,9 4.383,10 3.855,11 3.873,12 5.397,13 3.847,14 4.823,15 4.978,16 4.202,17 4.273,18 5.948,19 4.221,20 5.109,21 5.313,22 4.245,23 4.414,24 6.101,25 4.33,26 5.14,27 5.354,28 4.222,29 4.427,30 6.086,31 4.332,32 5.151,33 5.357,34 4.256,35 4.462,36 6.144,37 4.358,38 5.247,39 5.475,40 4.25,41 4.479,42 6.242,43 4.368,44 5.214,45 5.447,46 4.12,47 4.369,48 6.288,49 4.253,50 5.076,51 5.327,52 4,53 4.127,54 6.194,55 4.036,56 0.024,57 0.93,58 12.799,59 6.392,60 12.208,61 7.874,62 0.218,63 1.568,64 24.485,65 10.841,66 49.113,67 13.835,68 0.352,69 2.026,70 36.057,71 14.575,72 68.479,73 18.755,74 0.346,75 2.077,76 37.294,77 14.793,78 53.683,79 19.477,80 0.387,81 2.095,82 37.049,83 15.761,84 53.399,85 20.852,86 0.4,87 2.249,88 42.944,89 17.629,90 74.601,91 23.028,92 0.448,93 2.218,94 42.779,95 16.867,96 98.772,97 21.424,98 0.484,99 1.883,100 38.973,101 14.181,102 89.348,103 18.092,104 12,105 56,106 0.232,107 0.598,108 0.794,109 0.889,110 0.889,111 0.889,112 3.642,113 0.93,114 -5.62,115 -5.49,116 -5.12,118 47,120 6,121 1,124 2,139 2,140 9,141 4,142 2,143 2,150 2,154 1,163 1,167 1,168 18,169 1,172 11,175 1,177 1,180 18,181 1,186 13,191 1,194 16,195 1,198 7,199 1,203 1,206 17,207 2,209 1,210 4,213 1,215 2,218 26,219 2,221 1,222 4,227 2,229 28,230 3,234 4,239 3,242 17,243 3,246 1,247 9,252 3,255 7,256 2,259 8,264 2,267 5,270 2965,271 25.413,272 25.413,273 25.413,274 25.413,275 25.413,276 22.254,277 25.368,278 15.452,279 25.768,280 20.335,281 20.335,282 20.335,283 20.335,284 20.335,285 15.554,286 24.662,287 7.455,288 20.94,289 4.564,290 2.225,291 0.97,292 0.364,293 0.364,294 0.364,295 4.352,300 1,301 1310,302 4,305 76.889,306 442.053,309 282.658,313 2.549,314 38.274,317 0.75,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.84,325 79.5,326 597,327 4.794,328 3.655,329 7.157,330 4.376,331 3.405,332 4.744,333 2.341,334 12.577,335 3.308,336 4.117,337 3.51,338 6.102,339 3.641,340 2.664,341 3.643,342 0.86,343 8.765,344 2.617,345 4.045,346 2.955,347 5.769,348 3.636,349 2.651,350 3.599,351 0.522,352 7.822,353 2.597,354 3.93,355 2.935,356 5.453,357 3.512,358 2.522,359 3.37,361 7.112,362 2.498,363 3.636,364 2.907,365 5.34,366 3.276,367 2.335,368 2.947,370 6.965,371 2.185,372 3.551,373 2.682,374 5.169,375 3.199,376 2.224,377 2.799,379 6.264,380 2.156,381 3.499,382 2.503,383 5.069,384 3.006,385 2.046,386 2.695,388 6.098,389 1.944,390 3.402,391 2.353,392 4.862,393 2.915,394 1.936,395 2.526,397 5.292,398 1.876,399 3.297,400 2.223,401 4.371,402 2.733,403 1.747,404 2.507,406 4.103,407 1.722,408 2.803,409 1.691,410 3.892,411 2.465,412 1.493,413 1.838,415 3.575,416 1.445,417 2.73,418 1.619,419 3.818,420 2.438,421 1.469,422 1.754,424 3.094,425 1.42,426 2.533,427 1.522,428 3.698,429 2.242,430 1.248,431 1.5,433 3.042,434 1.237,435 2.5,436 1.379,437 3.595,438 2.017,439 1.06,440 1.5,442 2.453,443 1.007,444 2.5,445 1.04,446 3.414,447 2,448 1,449 1.471,451 2.275,452 1,453 2.48,454 1,455 3.248,456 1.956,457 1,458 1.369,460 2.194,461 0.953,462 17.586,463 0.475,464 0.763,465 0.021,466 47,467 1.27,468 24,469 0.649,470 23,471 0.622,472 34.503,473 0.933,474 38.814,475 0.588,476 36.776,477 0.994,478 9.096,479 0.246,480 8.984,481 0.243,482 0.054,484 0.307,486 1,487 0.69,488 1.047,489 0.761,490 1.004,491 0.602,492 0.917,493 0.705,494 1.05,495 0.888,496 1.037,497 0.47,498 1,499 0.999,500 1.011,501 1.007,502 0.981,503 0.877,504 0.993,505 0.883,506 0.946,507 1.032,508 0.993,509 0.688,510 1.022,511 0.643,512 0.958,513 0.984,514 1.104,515 0.778,516 1.11,517 0.876,518 0.966,519 0.974,520 1.04,521 0.997,522 1.032,523 1.214,524 1.096,525 1.115,526 1.097,527 1.362,528 1.093,529 1.335,530 1.002,531 0.963,532 0.949,533 1.311,534 0.9,535 6,536 0.148,537 2.889,538 2.424,539 1.72,540 1.4,541 0.824,542 0.468,543 0.528,544 0.202,545 24723,546 66449,547 2.133,548 43.9,549 8,550 13,552 2,553 1,554 3,555 2,558 1.776,559 2.037,560 3.844,561 -0.445,567 97.714,568 1.481,569 3.82,570 5.074,571 5.681,572 5.681,573 5.681,574 3.287,575 4.669,576 5.172,577 4.135,578 2753.64,579 9.077,580 47880.3,585 398.93,586 1.241,587 5.159,588 0.146,589 0.005,590 0.052,591 0.043,592 0.031,593 0.025,594 0.015,595 0.01,596 0.013,597 0.006,598 0.346,599 0.17,600 0.63,601 0.716,602 208.216,603 -0.028,604 -0.054,605 0.041,606 0.006,607 -0.019,608 0.028,609 0.046,610 -0.074,611 -0.016,612 -0.05,613 0.132,614 -0.045,615 -0.1,616 -0.039,617 -0.056,618 0.002,619 -0.082,620 -0.017,621 -0.089,622 -0.001,623 -0.087,624 -0.023,625 -0.038,626 -0.045,627 0.085,628 -0.039,629 -0.058,630 -0.109,631 -0.008,632 -0.113,633 -0.003,634 -0.033,635 0.002,636 -0.039,637 -0.062,638 -0.022,639 -0.095,640 -0.07,641 -0.094,642 -0.097,643 -0.119,644 -0.095,645 -0.031,646 0.014,647 0.116,648 0.032,649 -0.021,650 0.09,651 2.467,652 6.116,653 0.676,654 54.269,655 1.001,656 1.118,657 4.386,658 19.235,659 0.681,660 3.738,661 4.043,662 4.317,663 4.644,664 4.942,665 5.069,666 5.252,667 5.429,668 5.493,669 5.553,670 9.406,671 0.651,672 496.62,673 3.738,674 5.273,675 6.12,676 7.002,677 7.88,678 8.778,679 9.674,680 10.584,681 11.493,682 12.412,683 3,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,722 1,723 1,724 66,726 24,727 2,728 41,730 70,731 31,733 19,734 5,735 7,739 5,740 8,748 3,749 1,751 6,752 2,753 20,754 9,755 1,756 1,761 1,765 1,770 1,772 29,773 5,774 1,775 6,779 2,784 0.6,785 3,795 1,797 1,801 1,802 4,805 2,809 2,818 1,830 1,832 3,838 1,840 37,845 1,846 8,848 1,850 1,853 1,860 2,861 1,862 4.5,864 1,865 1,867 1,869 18.167,870 11.826,871 8.167,872 4.204,874 5.007,875 1.579,876 0.988,877 7.874,878 13.654,879 4.025,880 4.618,881 5.209,882 5.838,883 6.417,884 6.731,885 7.17,886 7.592,887 7.837,888 8.125,889 1,890 57,891 13.75,893 5.916,894 7.793,895 26.371,897 22.055,899 2.293,900 84.833,904 329.591,905 191.652,906 18.685,908 78.828,909 14.96,911 191.652,912 408.419,913 33.645,915 21.905,916 85.286,917 109.066,918 57.488,919 53.922,920 306.049,922 329.591,923 210.337,924 93.788,927 321.009,928 102.37,931 41.899,932 117.591,933 50.847,935 344.551,936 97.513,937 191.652,940 329.591,941 54.21,942 105.28,943 34.061,944 110.574,945 329.591,946 112.473,947 191.652,949 0.57,950 0.32,951 0.184,952 0.111,953 26,954 11,955 0.114,956 8,957 2,958 1.16,959 4.897,960 351.909,961 0.16,962 25,963 186.75,968 25.057,969 11.628,970 6.037,971 1.855,972 110.574,973 20.177,974 4.057,978 4.667,979 2.188,980 42.683,981 633.716,982 55,987 11.57,991 -0.801,994 66.069,995 73.777,996 0.245,997 0.632,998 0.839,999 0.94,1000 0.94,1001 0.94,1002 5.26,1003 1.936,1004 6.084,1005 6.098,1006 4.727,1007 5.306,1008 2.45,1009 6.889,1010 4.672,1011 6.467,1012 1.747,1013 7.626,1014 5.292,1015 4.205,1016 5.037,1017 2.243,1018 7.791,1019 4.11,1020 7.773,1021 1.493,1022 9.274,1023 4.103,1024 6.293,1025 7.516,1026 3.661,1027 10.96,1028 6.187,1029 9.116,1030 1.469,1031 10.99,1032 3.575,1033 6.635,1034 8.136,1035 4.112,1036 12.822,1037 6.489,1038 10.494,1039 1.248,1040 12.755,1041 3.094,1042 8.172,1043 10.068,1044 5.206,1045 15.535,1046 8.015,1047 11.899,1048 1.06,1049 14.556,1050 3.042,1051 8.956,1052 11.151,1053 5.889,1054 17.812,1055 8.761,1056 13.328,1057 1,1058 16.387,1059 2.453,1060 10.271,1061 12.849,1062 6.849,1063 20.391,1064 10.058,1065 3.405,1066 1,1067 18.242,1068 2.275,1069 11.284,1070 14.177,1071 7.625,1072 22.831,1073 11.035,1074 2.664,1075 12.577,1076 20.116,1077 2.194,1078 12.517,1079 15.779,1080 8.526,1081 25.373,1082 12.246,1083 2.651,1084 8.765,1085 22.006,1086 4.744,1087 13.642,1088 17.228,1089 9.342,1090 27.872,1091 13.336,1092 2.522,1093 7.822,1094 23.911,1095 3.643,1096 14.854,1097 18.795,1098 10.216,1099 30.405,1100 14.521,1101 2.335,1102 7.112,1103 25.826,1104 3.599,1105 16.03,1106 20.301,1107 11.051,1108 32.925,1109 15.664,1110 2.224,1111 6.965,1112 27.752,1113 3.37,1114 17.24,1115 21.856,1116 11.912,1117 35.456,1118 16.846,1119 2.046,1120 6.264,1121 29.684,1122 2.947,1123 18.44,1124 23.389,1125 12.755,1126 37.983,1127 18.015,1128 23087,1129 37994,1130 28.027,1131 44.972,1132 61.91,1133 62.265,1134 61.562,1135 60.543,1136 60.463,1137 80.08,1138 7.445,1139 169.845,1140 58.696,1141 5.744,1142 5.655,1143 6.983,1144 5.432,1145 5.405,1146 7.744,1147 3.925,1148 20.11,1149 5.308,1150 14.817,1151 1.51,1152 1.519,1153 1.502,1154 1.477,1155 1.475,1156 1.953,1157 0.182,1158 4.143,1159 1.432,1160 4.195,1161 4.226,1162 4.16,1163 4.111,1164 8.201,1165 4.119,1166 3.912,1167 3.939,1168 3.852,1169 3.838,1170 7.474,1171 3.837,1172 3.874,1173 3.905,1174 3.819,1175 3.799,1176 6.351,1177 3.799,1178 3.739,1179 3.779,1180 3.647,1181 3.635,1182 4.977,1183 3.629,1184 3.618,1185 3.675,1186 3.486,1187 3.491,1188 4.888,1189 3.482,1190 3.467,1191 3.492,1192 3.385,1193 3.263,1194 4.799,1195 3.278,1196 3.371,1197 3.43,1198 3.269,1199 3.197,1200 4.581,1201 3.208,1202 3.195,1203 3.235,1204 3.102,1205 3.063,1206 4.318,1207 3.063,1208 0.117,1209 0.089,1210 0.175,1211 0.107,1212 0.083,1213 4.794,1214 0.116,1215 3.655,1216 0.057,1217 7.157,1218 0.307,1219 4.376,1220 0.081,1221 3.405,1222 4.744,1223 2.341,1224 12.577,1225 3.308,1226 1.957,1227 1.935,1228 2.077,1229 2.066,1230 1.45,1231 2.064,1232 1.934,1233 1.904,1234 2.049,1235 2.028,1236 1.229,1237 2.042,1238 1.86,1239 1.829,1240 1.974,1241 1.97,1242 1.184,1243 1.973,1244 1.826,1245 1.794,1246 1.946,1247 1.94,1248 1.088,1249 1.943,1250 1.621,1251 1.567,1252 1.851,1253 1.787,1254 0.936,1255 1.812,1256 1.4,1257 1.365,1258 1.636,1259 1.644,1260 0.909,1261 1.629,1262 1.331,1263 1.274,1264 1.524,1265 1.539,1266 0.745,1267 1.539,1268 1.172,1269 1.129,1270 1.383,1271 1.34,1272 0.541,1273 1.353,1274 4.419,1276 5.727,1277 2.398,1278 7.229,1279 4.949,1280 8.83,1281 7.248,1282 10.49,1286 14.116,1289 9.499,1290 5.439,1292 5.889,1294 -0.069,1299 6.246,1300 42.946,1301 97.714,1302 252.105,1303 334.891,1304 374.93,1305 374.93,1306 374.93,1307 73.78,1308 8.647,1309 64.35,1310 64.35,1311 29,1312 12.924,1313 4.644,1314 3.907,1315 57.255,1316 205,1317 248,1318 0.132,1319 259.885,1320 459.58,1321 625.88,1322 87064,1323 1.5,1324 25.614,1325 0.692,1326 0.557,1327 24.744,1328 20.621,1329 18.081,1330 0.441,1331 0.31,1332 12.581,1333 17.515,1334 12.341,1335 10.159,1336 17.687,1337 12.712,1338 16.09,1339 0.287,1340 0.169,1341 15.456,1342 9.438,1343 13.008,1344 0.176,1345 0.092,1346 12.666,1347 6.835,1348 11.323,1349 0.11,1350 0.051,1351 11.102,1352 5.213,1353 9.805,1354 0.071,1355 0.028,1356 9.524,1357 3.914,1358 0.215,1359 112.45,1360 0.189,1361 34.578,1362 0.339,1363 194,1364 589.022,1365 209.937,1366 546.48,1367 738.5,1368 512,1369 227,1370 532.088,1371 241.219,1372 534.267,1373 777.93,1374 505,1375 6.222} {0 CHEMBL42738,1 1.426,2 16.714,3 5.714,4 32.651,5 160.132,6 7.237,7 0.4,8 4.443,9 4.542,10 3.961,11 3.985,12 5.58,13 3.96,14 4.976,15 5.12,16 4.287,17 4.368,18 6.155,19 4.31,20 5.28,21 5.481,22 4.355,23 4.527,24 6.277,25 4.441,26 5.367,27 5.576,28 4.369,29 4.553,30 6.38,31 4.464,32 5.365,33 5.57,34 4.397,35 4.617,36 6.337,37 4.519,38 5.45,39 5.674,40 4.388,41 4.662,42 6.418,43 4.542,44 5.445,45 5.684,46 4.339,47 4.622,48 6.365,49 4.498,50 5.366,51 5.588,52 4.347,53 4.548,54 6.348,55 4.446,56 0.081,57 1.005,58 16.569,59 8.04,60 23.193,61 9.84,62 0.495,63 1.634,64 30.459,65 13.228,66 82.456,67 16.874,68 0.447,69 2.112,70 44.097,71 17.63,72 92.863,73 23.125,74 0.78,75 2.233,76 49.728,77 18.629,78 113.715,79 24.311,80 0.534,81 2.313,82 48.146,83 19.25,84 92.268,85 25.385,86 0.666,87 2.519,88 53.222,89 20.849,90 110.841,91 28.214,92 0.584,93 2.473,94 53.708,95 20.702,96 99.617,97 28.275,98 0.491,99 2.268,100 49.102,101 19,102 87.425,103 25.45,104 50,105 59,106 0.217,107 0.55,108 0.749,109 0.876,110 0.909,111 0.913,112 3.765,113 0.951,114 -4.95,115 -4.85,116 -4.55,118 43,120 7,121 1,124 1,126 1,127 1,133 3,134 1,140 10,141 4,142 1,143 2,154 2,163 2,167 2,168 24,169 2,171 1,172 9,175 2,177 4,180 26,181 2,186 11,191 4,194 24,195 2,198 13,201 1,203 4,206 24,207 2,210 11,215 3,218 27,219 2,222 11,225 1,227 4,229 28,230 2,234 11,239 5,242 27,243 2,247 7,248 2,252 5,255 23,256 4,258 4,259 8,260 1,262 2,264 6,267 20,268 4,270 4168,271 28.501,272 28.501,273 28.501,274 28.501,275 28.501,276 25.439,277 22.847,278 17.566,279 28.697,280 22.268,281 22.268,282 22.268,283 22.268,284 22.268,285 17.834,286 20.252,287 8.407,288 22.607,289 4.878,290 2.689,291 1.386,292 0.551,293 0.329,294 0.304,295 4.46,300 1,301 1469,302 4.796,306 648.37,313 2.456,314 50.212,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 91.5,326 702,327 4.39,328 3.607,329 6.681,330 4.113,331 3.141,332 3.976,333 2.341,334 10.787,335 3.054,336 4.326,337 3.597,338 6.501,339 4.014,340 3.017,341 3.854,342 2.341,343 10.185,344 3.001,345 4.042,346 3.596,347 6.12,348 3.751,349 2.759,350 3.534,351 1.902,352 8.966,353 2.738,354 3.686,355 3.203,356 5.657,357 3.413,358 2.434,359 3.028,360 0.869,361 7.384,362 2.379,363 3.571,364 3.013,365 5.239,366 3.24,367 2.235,368 2.759,369 0.22,370 6.368,371 2.222,372 3.55,373 2.614,374 4.66,375 3.239,376 2.234,377 2.711,379 5.184,380 2.22,381 3.541,382 2.272,383 4.659,384 3.187,385 2.197,386 2.708,388 5.184,389 2.174,390 3.159,391 2.16,392 4.569,393 2.759,394 1.771,395 2.312,397 4.58,398 1.748,399 3.091,400 2.021,401 4.417,402 2.681,403 1.699,404 2.195,406 4.264,407 1.664,408 2.871,409 1.942,410 4.104,411 2.528,412 1.547,413 2.022,415 3.67,416 1.513,417 2.812,418 1.767,419 3.811,420 2.465,421 1.483,422 1.889,424 3.169,425 1.452,426 2.757,427 1.535,428 3.636,429 2.391,430 1.414,431 1.8,433 3.096,434 1.374,435 2.622,436 1.495,437 3.629,438 2.329,439 1.348,440 1.626,442 3.032,443 1.319,444 2.5,445 1.378,446 3.574,447 2.021,448 1.026,449 1.5,451 2.541,452 1.017,453 2.5,454 1.307,455 3.414,456 2,457 1,458 1.5,460 2.359,461 1,462 19.733,463 0.47,464 0.839,465 0.02,466 49.25,467 1.173,468 24,469 0.571,470 25.25,471 0.601,472 42.665,473 1.016,474 46.267,475 0.586,476 44.422,477 1.058,478 9.855,479 0.235,480 10.564,481 0.252,482 0.084,484 0.279,487 0.833,488 1.124,489 0.841,490 1.071,491 0.781,492 0.977,493 0.706,494 1.145,495 0.966,496 1.143,497 0.475,498 1.109,499 0.92,500 1.058,501 0.969,502 1.06,503 0.853,504 1.031,505 1.11,506 0.94,507 1.026,508 0.945,509 0.809,510 0.968,511 0.909,512 1.041,513 1.015,514 1.04,515 0.702,516 1.048,517 0.766,518 1.035,519 1.012,520 1.045,521 0.689,522 1.069,523 0.77,524 0.977,525 0.95,526 0.992,527 0.61,528 1.002,529 0.866,530 1.057,531 0.945,532 1.061,533 0.7,534 1.025,535 6.5,536 0.392,537 4.222,538 2.25,539 1.569,540 1.229,541 0.927,542 0.535,543 0.513,544 0.442,545 30437,546 88998,547 2.048,548 46.8,549 10,550 16,551 1,552 2,553 3,554 4,556 1,558 1.814,559 1.938,560 3.966,561 0.677,567 112.624,568 1.426,569 3.615,570 4.918,571 5.753,572 5.975,573 6,574 3.443,575 4.833,576 5.354,577 4.184,578 3602.48,579 9.49,580 67604.5,585 497.999,586 1.3,587 5.333,588 0.144,589 0.007,590 0.072,591 0.036,592 0.025,593 0.019,594 0.015,595 0.009,596 0.009,597 0.007,598 0.343,599 0.17,600 0.75,601 1.749,602 243.626,603 -0.068,604 0.015,605 0.014,606 0.041,607 -0.079,608 0.042,609 0.141,610 -0.062,611 -0.061,612 -0.082,613 0.165,614 -0.105,615 -0.062,616 -0.049,617 -0.02,618 -0.04,619 -0.068,620 -0.025,621 -0.084,622 0.044,623 -0.04,624 0.051,625 -0.052,626 0.019,627 -0.084,628 -0.03,629 -0.069,630 -0.02,631 -0.06,632 -0.039,633 -0.017,634 -0.029,635 -0.065,636 -0.037,637 -0.03,638 -0.056,639 -0.034,640 0.01,641 0.007,642 0.007,643 -0.021,644 0.014,645 -0.032,646 -0.068,647 0.018,648 -0.058,649 -0.031,650 -0.018,651 2.497,652 4.601,653 0.571,654 65.546,655 1.004,656 1.119,657 3.717,658 13.813,659 0.657,660 3.829,661 4.094,662 4.317,663 4.554,664 4.796,665 4.875,666 5.056,667 5.198,668 5.323,669 5.447,670 9.597,671 0.627,672 571.72,673 3.829,674 5.342,675 6.163,676 7.015,677 7.861,678 8.725,679 9.586,680 10.458,681 11.327,682 12.204,683 1.3,693 1,699 12,700 1,704 5,706 18,721 1,724 79,726 22,727 2,728 45,730 82,731 34,733 17,734 4,735 8,736 2,739 4,740 4,748 1,749 1,751 8,753 23,754 11,755 1,756 4,761 2,763 3,765 3,772 37,773 8,774 3,775 8,779 1,784 1,785 7,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 42,845 3,846 8,848 2,850 3,862 8.9,864 3,865 2,866 2,869 21.667,870 13.467,871 9.5,872 4.804,874 2.927,875 1.356,876 0.918,877 11.894,878 11.143,879 4.078,880 4.57,881 5.029,882 5.521,883 6.025,884 6.165,885 6.565,886 6.88,887 7.18,888 7.498,889 1,890 62,891 15.603,893 6.593,894 7.913,895 29.56,897 24.075,899 2.413,900 101.333,904 400.217,905 181.727,906 16.786,908 200.34,911 181.727,912 600.557,913 16.786,915 22.334,916 123.551,917 242.487,918 34.023,919 11.771,920 364.904,922 400.217,923 198.513,924 200.34,927 388.446,928 190.111,929 22,930 0.36,931 40.429,932 112.51,933 45.214,935 400.217,936 217.125,937 181.727,940 400.577,941 40.082,942 141.286,944 217.125,945 400.217,946 217.125,947 181.727,949 0.563,950 0.309,951 0.166,952 0.092,953 23,954 11,955 0.171,956 14,958 1,959 5.153,960 403.659,962 24,963 222.477,968 31.176,969 16.023,970 9.378,972 217.125,973 22.569,974 4.27,978 3.681,980 128.05,981 799.07,982 58,987 21.656,989 5.945,991 -0.585,994 79.298,995 88.438,996 0.226,997 0.573,998 0.78,999 0.913,1000 0.948,1001 0.952,1002 5.291,1003 1.771,1004 6.111,1005 5.184,1006 4.779,1007 5.257,1008 3.261,1009 6.868,1010 4.747,1011 6.45,1012 1.699,1013 7.632,1014 4.58,1015 4.205,1016 4.808,1017 3.038,1018 7.711,1019 4.161,1020 7.717,1021 1.547,1022 9.261,1023 4.264,1024 6.304,1025 7.284,1026 4.544,1027 10.822,1028 6.245,1029 9.015,1030 1.483,1031 10.958,1032 3.67,1033 6.594,1034 7.664,1035 4.929,1036 12.571,1037 6.519,1038 10.348,1039 1.414,1040 12.704,1041 3.169,1042 8.127,1043 9.606,1044 6.044,1045 15.185,1046 8.036,1047 11.704,1048 1.348,1049 14.482,1050 3.096,1051 8.84,1052 10.405,1053 6.678,1054 17.287,1055 8.73,1056 13.081,1057 1.026,1058 16.284,1059 3.032,1060 10.128,1061 12.093,1062 7.64,1063 19.732,1064 10.002,1065 3.141,1066 1,1067 18.104,1068 2.541,1069 11.053,1070 13.125,1071 8.387,1072 21.978,1073 10.905,1074 3.017,1075 10.787,1076 19.936,1077 2.359,1078 12.236,1079 14.675,1080 9.283,1081 24.362,1082 12.072,1083 2.759,1084 10.185,1085 21.779,1086 3.976,1087 13.264,1088 15.842,1089 10.083,1090 26.668,1091 13.077,1092 2.434,1093 8.966,1094 23.629,1095 3.854,1096 14.406,1097 17.313,1098 10.951,1099 29.032,1100 14.2,1101 2.235,1102 7.384,1103 25.485,1104 3.534,1105 15.482,1106 18.56,1107 11.776,1108 31.366,1109 15.255,1110 2.234,1111 6.368,1112 27.346,1113 3.028,1114 16.61,1115 19.985,1116 12.633,1117 33.724,1118 16.362,1119 2.197,1120 5.184,1121 29.21,1122 2.759,1123 17.711,1124 21.28,1125 13.47,1126 36.07,1127 17.44,1128 29731,1129 50929,1130 30.107,1131 51.892,1132 66.362,1133 66.936,1134 66.898,1135 65.43,1136 65.379,1137 82.826,1138 15.345,1139 176.46,1140 64.227,1141 5.39,1142 5.607,1143 6.483,1144 5.185,1145 5.141,1146 6.976,1147 3.925,1148 17.865,1149 5.054,1150 21.492,1151 1.475,1152 1.487,1153 1.487,1154 1.454,1155 1.453,1156 1.841,1157 0.341,1158 3.921,1159 1.427,1160 4.044,1161 4.067,1162 3.986,1163 3.973,1164 7.477,1165 3.972,1166 3.939,1167 3.963,1168 3.88,1169 3.869,1170 7.472,1171 3.868,1172 3.816,1173 3.848,1174 3.752,1175 3.728,1176 6.469,1177 3.729,1178 3.763,1179 3.804,1180 3.656,1181 3.662,1182 6.352,1183 3.652,1184 3.726,1185 3.776,1186 3.602,1187 3.588,1188 6.35,1189 3.58,1190 3.623,1191 3.655,1192 3.522,1193 3.457,1194 4.937,1195 3.462,1196 3.468,1197 3.501,1198 3.371,1199 3.314,1200 4.852,1201 3.318,1202 3.362,1203 3.384,1204 3.263,1205 3.145,1206 4.652,1207 3.166,1208 0.098,1209 0.08,1210 0.148,1211 0.091,1212 0.07,1213 4.39,1214 0.088,1215 3.607,1216 0.052,1217 6.681,1218 0.24,1219 4.113,1220 0.068,1221 3.141,1222 3.976,1223 2.341,1224 10.787,1225 3.054,1226 1.989,1227 1.968,1228 2.09,1229 2.081,1230 1.367,1231 2.082,1232 1.927,1233 1.905,1234 2.049,1235 2.027,1236 1.326,1237 2.034,1238 1.801,1239 1.77,1240 1.957,1241 1.915,1242 1.178,1243 1.926,1244 1.761,1245 1.719,1246 1.948,1247 1.893,1248 1.14,1249 1.912,1250 1.717,1251 1.665,1252 1.904,1253 1.886,1254 1.015,1255 1.899,1256 1.583,1257 1.545,1258 1.797,1259 1.775,1260 0.981,1261 1.779,1262 1.427,1263 1.389,1264 1.645,1265 1.627,1266 0.836,1267 1.627,1268 1.28,1269 1.249,1270 1.508,1271 1.53,1272 0.671,1273 1.515,1274 4.511,1276 5.79,1278 7.261,1280 8.826,1282 10.446,1289 28.393,1290 3.885,1292 12.616,1294 -1.098,1300 49.507,1301 112.624,1302 285.591,1303 388.541,1304 454.489,1305 471.999,1306 473.999,1307 115.383,1308 8.216,1309 126.18,1310 126.18,1311 24,1312 12.745,1313 4.524,1314 3.807,1315 78.982,1316 240,1317 258,1318 0.157,1319 304.048,1320 552.83,1321 733.638,1322 44487,1324 29.736,1325 0.708,1326 0.559,1327 29.736,1328 23.471,1329 20.419,1330 0.454,1331 0.317,1332 14.106,1333 19.747,1334 13.857,1335 11.459,1336 20.419,1337 14.265,1338 17.723,1339 0.3,1340 0.175,1341 17.723,1342 10.301,1343 13.836,1344 0.187,1345 0.097,1346 13.836,1347 7.193,1348 11.303,1349 0.12,1350 0.053,1351 11.303,1352 5.011,1353 9.284,1354 0.077,1355 0.029,1356 9.284,1357 3.521,1358 0.252,1359 127.624,1360 0.182,1361 37.857,1362 0.417,1363 208,1364 641.036,1365 228.319,1366 608.18,1367 802.68,1368 566,1369 237,1370 555.476,1371 254.778,1372 559.825,1373 813.57,1374 527,1375 7.398} {0 CHEMBL42795,1 1.76,2 7.778,3 1.973,4 3.892,5 70.565,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.709,13 3.098,14 3.936,15 4.053,16 3.641,17 3.529,18 5.252,19 3.469,20 4.072,21 4.215,22 3.545,23 3.569,24 5.203,25 3.461,26 4.161,27 4.352,28 3.585,29 3.478,30 5.326,31 3.376,32 3.946,33 4.131,34 3.208,35 3.251,36 5.118,37 3.142,38 3.783,39 3.983,40 3.034,41 3.055,42 4.905,43 2.938,44 3.47,45 3.683,46 2.899,47 2.82,48 4.462,49 2.689,50 3.212,51 3.36,52 2.468,53 2.427,54 4.557,55 2.383,56 0.062,57 0.393,58 4.01,59 2.486,60 8,61 2.491,62 0.232,63 0.66,64 8.613,65 4.115,66 29.166,67 4.143,68 0.129,69 0.7,70 10.325,71 5.369,72 16.159,73 5.859,74 0.254,75 0.769,76 16.218,77 6.281,78 27.972,79 6.629,80 0.182,81 0.629,82 14.889,83 5.348,84 19.958,85 5.651,86 0.193,87 0.52,88 9.374,89 3.927,90 28.916,91 4.231,92 0.112,93 0.414,94 10.073,95 3.386,96 13.757,97 3.714,98 0.208,99 0.279,100 5.43,101 2.001,102 20.292,103 1.843,104 6,105 28,106 0.334,107 0.734,108 0.867,109 0.899,110 0.899,111 0.899,112 2.961,113 0.946,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 3,141 3,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 8,181 1,186 3,191 1,194 6,195 2,198 4,203 2,206 2,207 2,210 6,215 2,219 1,222 3,227 1,234 2,235 1,246 1,247 1,250 1,260 1,270 296,271 12.223,272 12.223,273 12.223,274 12.223,275 12.223,276 10.328,277 10.659,278 7.216,279 12.579,280 9.889,281 9.889,282 9.889,283 9.889,284 9.889,285 7.05,286 15.208,287 3.431,288 10.452,289 3.047,290 0.943,291 0.241,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 304,302 2.55,305 83.333,306 41.39,309 65.947,313 1.469,314 16.169,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 140,327 4.591,328 3.616,329 6.667,330 4.113,331 3.143,332 4.535,333 1.437,334 10.701,335 3.047,336 4.006,337 3.017,338 5.684,339 3.613,340 2.66,341 3.538,342 0.522,343 7.841,344 2.55,345 3.776,346 2.752,347 5.441,348 3.308,349 2.352,350 3.245,352 6.902,353 2.22,354 3.414,355 2.25,356 4.971,357 2.954,358 1.991,359 2.723,361 5.723,362 1.903,363 2.999,364 1.638,365 4.37,366 2.435,367 1.497,368 2.219,370 4.017,371 1.382,372 2.64,373 1.391,374 3.684,375 2.119,376 1.188,377 1.663,379 2.686,380 1.097,381 2.543,382 1.186,383 3.429,384 1.981,385 1.051,386 1.536,388 2.485,389 0.955,390 2.118,391 0.651,392 3.169,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 2.024,400 0.618,401 3,402 1.441,403 0.532,404 0.777,406 1.29,407 0.471,408 1.166,409 0.415,410 2.725,411 0.805,412 -0.146,413 -0.184,415 -0.41,416 -0.138,417 0.703,418 0.063,419 2.25,420 0.159,421 -0.794,422 -1.069,424 -2,425 -0.708,426 0.554,427 -0.726,428 2,429 0.107,430 -0.854,431 -1.171,433 -2.124,434 -0.812,435 0.417,436 -0.778,437 1.902,438 -0.02,439 -1,440 -1.407,442 -2.375,443 -0.973,444 -0.005,445 -1.261,446 1.613,447 -0.465,448 -1.402,449 -1.856,451 -3.461,452 -1.295,453 -0.089,454 -1.387,455 1.209,456 -0.551,457 -1.505,458 -2.035,460 -4.372,461 -1.424,462 8.8,463 0.489,464 0.435,465 0.024,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.097,473 0.616,474 18.2,475 0.65,476 15.223,477 0.846,478 5.011,479 0.278,480 3.727,481 0.207,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.706,492 0.761,493 0.618,494 0.754,495 0.917,496 0.781,497 0.388,498 0.786,499 0.698,500 1.083,501 1.003,502 1.113,503 0.686,504 1.199,505 0.896,506 0.972,507 0.933,508 1.067,509 0.918,510 0.997,511 0.9,512 1.214,513 1.328,514 1.362,515 0.839,516 1.181,517 1.163,518 1.02,519 0.929,520 0.874,521 1.188,522 1.065,523 0.64,524 1.078,525 1.215,526 1.196,527 0.539,528 0.923,529 1.541,530 1.002,531 1.217,532 0.971,533 2.01,534 1.133,535 3.5,536 0.04,537 1.778,538 1.354,539 0.813,540 0.365,541 0.282,542 0.137,543 0.099,544 0.055,545 2916,546 9880,547 2.12,548 35.7,550 5,551 2,552 2,553 1,558 1.583,559 2,560 2.977,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.864,570 4.566,571 4.736,572 4.736,573 4.736,574 2.558,575 3.197,576 4.14,577 3.124,578 478.033,579 7.01,580 4444.16,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.175,589 0.01,590 0.063,591 0.056,592 0.037,593 0.021,594 0.022,595 0.012,596 0.012,597 0.009,598 0.419,599 0.67,600 1,601 0.816,602 76.212,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.096,608 0.04,609 0.104,610 0.316,611 -0.062,612 0.136,613 0.207,614 0.056,615 -0.051,616 -0.164,617 -0.133,618 -0.172,619 -0.031,620 -0.251,621 0.008,622 -0.03,623 0.132,624 -0.041,625 -0.014,626 0.038,627 -0.046,628 -0.274,629 -0.187,630 -0.28,631 0.012,632 -0.135,633 -0.18,634 -0.085,635 -0.013,636 0.043,637 -0.2,638 -0.064,639 0.056,640 -0.058,641 0.113,642 -0.008,643 0.048,644 0.187,645 0.014,646 -0.032,647 -0.358,648 -0.106,649 -0.353,650 -0.267,651 2.538,652 4.012,653 0.778,654 12.988,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.638,663 3.912,664 3.989,665 4.078,666 4.205,667 4.29,668 4.22,669 4.19,670 4.803,671 0.706,672 258.32,673 3.045,674 4.575,675 5.425,676 6.304,677 7.172,678 8.057,679 8.932,680 9.819,681 10.698,682 11.586,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.917,872 1.507,874 2.912,875 1.449,876 0.996,877 2.878,878 9.401,879 3.384,880 4.034,881 4.663,882 5.305,883 5.697,884 6.087,885 6.524,886 6.931,887 7.046,888 7.366,889 1,890 24,891 6.615,893 2.849,894 7.926,895 12.448,897 10.268,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 45.125,917 117.684,918 19.891,919 24.288,920 90.133,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 43.983,942 64.69,944 84.614,945 105.94,946 86.513,947 106.774,949 0.583,950 0.338,951 0.186,952 0.087,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.119,960 129.928,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.191,971 1.812,972 84.614,973 12.971,974 3.996,977 1.463,978 1.517,979 1.979,980 42.683,981 299.227,982 28.5,987 11.012,991 -0.872,994 28.469,995 30.996,996 0.366,997 0.804,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.407,1005 2.485,1006 4.043,1007 4.718,1008 1.736,1009 6.213,1010 3.944,1011 5.819,1012 0.532,1013 6.959,1014 1.372,1015 3.611,1016 4.543,1018 7.101,1019 3.507,1020 7.133,1021 -0.146,1022 8.612,1023 1.29,1024 5.624,1025 6.996,1026 2.269,1027 10.201,1028 5.454,1029 8.489,1030 -0.794,1031 10.326,1032 -0.41,1033 6.043,1034 7.718,1036 11.955,1037 5.861,1038 9.877,1039 -0.854,1040 12.079,1041 -2,1042 7.504,1043 9.587,1044 2.925,1045 14.562,1046 7.277,1047 11.29,1048 -1,1049 13.86,1050 -2.124,1051 8.306,1052 10.728,1054 16.674,1055 8.058,1056 12.721,1057 -1.402,1058 15.663,1059 -2.375,1060 9.556,1061 12.371,1062 3.619,1063 19.122,1064 9.274,1065 3.143,1066 -1.505,1067 17.482,1068 -3.461,1069 10.535,1070 13.712,1072 21.384,1073 10.228,1074 2.66,1075 10.701,1076 19.313,1077 -4.372,1078 11.705,1079 15.267,1080 4.33,1081 23.779,1082 11.369,1083 2.352,1084 7.841,1085 21.156,1086 4.535,1087 12.767,1088 16.7,1090 26.103,1091 12.403,1092 1.991,1093 6.902,1094 23.007,1095 3.538,1096 13.91,1097 18.224,1098 5.047,1099 28.48,1100 13.517,1101 1.497,1102 5.723,1103 24.866,1104 3.245,1105 15.011,1106 19.698,1108 30.83,1109 14.589,1110 1.188,1111 4.017,1112 26.73,1113 2.723,1114 16.146,1115 21.211,1116 5.769,1117 33.202,1118 15.696,1119 1.051,1120 2.686,1121 28.6,1122 2.219,1123 17.265,1124 22.705,1126 35.564,1127 16.787,1128 2838,1129 5315,1130 13.523,1131 20.614,1132 30.572,1133 30.726,1134 30.434,1135 30.026,1136 30.065,1137 42.326,1138 3.916,1139 86.036,1140 28.407,1141 5.362,1142 5.616,1143 6.282,1144 5.211,1145 5.143,1146 7.535,1147 2.873,1148 17.687,1149 5.047,1150 7.18,1151 1.529,1152 1.536,1153 1.522,1154 1.501,1155 1.503,1156 2.116,1157 0.196,1158 4.302,1159 1.42,1160 4.104,1161 4.116,1162 4.328,1163 4.116,1164 7.475,1165 4.069,1166 3.887,1167 3.942,1168 3.86,1169 3.698,1170 6.351,1171 3.719,1172 3.478,1173 3.491,1174 3.475,1175 3.381,1176 4.966,1177 3.368,1178 3.12,1179 3.108,1180 3.324,1181 2.977,1182 4.803,1183 2.935,1184 2.957,1185 3.017,1186 2.869,1187 2.796,1188 4.135,1189 2.807,1190 2.678,1191 2.748,1192 2.521,1193 2.469,1194 3.735,1195 2.47,1196 2.47,1197 2.569,1198 2.274,1199 2.288,1200 3.52,1201 2.268,1202 2.284,1203 2.367,1204 2.226,1205 2.132,1206 3.325,1207 2.111,1208 0.23,1209 0.181,1210 0.333,1211 0.206,1212 0.157,1213 4.591,1214 0.227,1215 3.616,1216 0.072,1217 6.667,1218 0.535,1219 4.113,1220 0.152,1221 3.143,1222 4.535,1223 1.437,1224 10.701,1225 3.047,1226 1.955,1227 1.939,1228 2.03,1229 2.023,1230 1.234,1231 2.032,1232 1.567,1233 1.541,1234 1.693,1235 1.762,1236 0.873,1237 1.742,1238 1.445,1239 1.42,1240 1.5,1241 1.583,1242 0.658,1243 1.579,1244 1.292,1245 1.226,1246 1.431,1247 1.524,1248 0.444,1249 1.51,1250 1.008,1251 0.999,1252 1.12,1253 1.149,1254 0.252,1255 1.174,1256 0.84,1257 0.793,1258 1.094,1259 1.052,1260 0.166,1261 1.089,1262 0.638,1263 0.611,1264 0.877,1265 0.92,1267 0.937,1268 0.377,1269 0.278,1270 0.728,1271 0.623,1273 0.687,1274 3.714,1276 5.03,1277 3.045,1278 6.526,1279 5.283,1280 8.11,1281 7.286,1282 9.745,1289 9.043,1290 0.746,1300 19.767,1301 49.281,1302 108.2,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 23.422,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.118,1313 4.087,1314 3.248,1315 25.853,1316 54,1317 40,1318 0.255,1319 125.511,1320 203.29,1321 298.007,1322 4775,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.737,1330 0.437,1331 0.315,1332 5.433,1333 7.956,1334 5.239,1335 4.33,1336 9.191,1337 6.31,1338 7.974,1339 0.285,1340 0.176,1341 8.525,1342 4.931,1343 6.568,1344 0.178,1345 0.101,1346 7.238,1347 3.74,1348 5.66,1349 0.116,1350 0.06,1351 6.567,1352 2.925,1353 3.918,1354 0.074,1355 0.034,1356 4.629,1357 1.776,1358 0.392,1359 59.231,1360 0.272,1361 18.074,1362 0.72,1363 96,1364 304.036,1365 126.235,1366 316.335,1367 424.52,1368 294,1369 113,1370 289.996,1371 140.556,1372 310.986,1373 451.5,1374 290,1375 7.721} {0 CHEMBL428,1 1.88,2 10.033,3 2.188,4 4.787,5 101.04,6 9.253,7 0.353,8 3.98,9 4.077,10 3.703,11 3.501,12 5.283,13 3.545,14 4.501,15 4.633,16 4.124,17 3.904,18 5.894,19 3.941,20 4.792,21 4.967,22 4.239,23 4.011,24 6.182,25 4.041,26 4.823,27 5.013,28 4.263,29 3.957,30 6.431,31 4.006,32 4.733,33 4.904,34 4.215,35 3.959,36 6.242,37 4.003,38 4.699,39 4.85,40 4.225,41 3.924,42 6.21,43 3.987,44 4.741,45 4.885,46 4.23,47 3.862,48 6.607,49 3.925,50 4.664,51 4.843,52 3.925,53 3.717,54 6.209,55 3.741,56 0.299,57 0.926,58 5.585,59 3.93,60 50.392,61 3.728,62 0.61,63 1.499,64 11.458,65 6.576,66 92.777,67 6.737,68 1.032,69 1.855,70 20.197,71 8.673,72 148.239,73 9.486,74 1.439,75 1.899,76 24.466,77 8.386,78 225.799,79 9.101,80 1.174,81 1.802,82 20.404,83 8.416,84 179.069,85 8.614,86 0.948,87 1.753,88 17.336,89 8.048,90 133.384,91 7.824,92 1.559,93 1.715,94 19.426,95 8.258,96 268.165,97 7.74,98 1.315,99 1.626,100 21.116,101 8.267,102 223.581,103 7.866,104 51,105 53,106 0.321,107 0.715,108 0.828,109 0.877,110 0.877,111 0.877,112 3.442,113 0.813,114 -4.44,115 -4.37,116 -4.12,118 44.4,121 2,124 2,126 1,134 1,135 1,140 4,141 1,142 4,145 2,153 1,154 1,159 1,160 1,161 1,163 1,167 1,168 3,169 1,171 2,172 9,175 1,177 3,180 2,183 2,186 6,187 2,194 2,195 1,197 5,198 6,200 1,201 3,203 1,206 2,207 1,210 3,211 1,215 1,218 7,219 1,221 2,222 6,224 1,225 2,227 1,229 4,230 2,234 6,235 1,239 3,245 1,246 1,247 2,249 1,250 2,252 1,255 4,257 1,267 4,268 2,270 1442,271 19.74,272 19.74,273 19.74,274 19.74,275 19.74,276 17.803,277 29.209,278 10.888,279 20.127,280 16.718,281 16.718,282 16.718,283 16.718,284 16.718,285 13.626,286 44.125,287 5.146,288 17.455,289 3.612,290 1.306,291 0.639,292 0.356,293 0.356,294 0.356,295 4.136,299 1,300 1,301 665,302 3.162,303 45.121,305 68.052,306 313.577,310 124.173,313 1.307,314 70.648,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 69.5,326 301,327 4.648,328 3.797,329 7.027,330 4.37,331 3.395,332 4.272,333 1.437,334 11.988,335 3.32,336 4.397,337 3.512,338 6.957,339 4.283,340 3.308,341 3.898,342 0.8,343 11.759,344 3.234,345 4.25,346 3.419,347 6.434,348 3.863,349 2.909,350 3.66,351 0.8,352 9.862,353 2.778,354 4.155,355 3.299,356 6.402,357 3.806,358 2.841,359 3.346,361 9.672,362 2.7,363 3.767,364 3.158,365 5.946,366 3.413,367 2.453,368 3.076,370 8.117,371 2.345,372 3.578,373 2.885,374 5.422,375 3.205,376 2.253,377 2.872,379 6.737,380 2.123,381 3.245,382 2.582,383 5.016,384 2.829,385 1.915,386 2.462,388 5.589,389 1.733,390 3.064,391 2.445,392 4.919,393 2.759,394 1.808,395 2.118,397 5.322,398 1.698,399 2.914,400 2.028,401 4.442,402 2.436,403 1.479,404 2.009,406 3.973,407 1.393,408 2.729,409 1.602,410 4.247,411 2.236,412 1.254,413 1.73,415 3.292,416 1.218,417 2.452,418 1.416,419 4.166,420 2.03,421 1.08,422 1.397,424 3.144,425 1.018,426 2,427 1.159,428 3.959,429 1.984,430 1,431 1,433 3.02,434 0.983,435 1.92,436 1.077,437 3.676,438 1.452,439 0.51,440 0.53,442 1.366,443 0.478,444 1.565,445 0.757,446 3.219,447 1.338,448 0.329,449 0.478,451 0.83,452 0.323,453 1.27,454 0.532,455 3.086,456 0.911,457 0.01,458 0.012,460 0.026,461 0.009,462 13.457,463 0.449,464 1.087,465 0.036,466 38.25,467 1.275,468 17.5,469 0.583,470 20.75,471 0.692,472 25.468,473 0.849,474 32.743,475 0.728,476 34.03,477 1.134,478 7.569,479 0.252,480 6.688,481 0.223,482 0.168,484 0.542,486 3,487 0.657,488 0.981,489 0.599,490 0.941,491 0.6,492 0.801,493 0.617,494 0.993,495 0.68,496 1.013,497 0.513,498 0.918,499 0.827,500 1.048,501 0.88,502 1.118,503 0.796,504 1.057,505 0.828,506 0.827,507 0.829,508 0.738,509 0.814,510 0.751,511 0.971,512 0.986,513 0.881,514 0.928,515 0.971,516 0.872,517 1.001,518 1.14,519 0.857,520 1.088,521 0.961,522 0.958,523 0.995,524 1.082,525 1.015,526 1.133,527 0.987,528 1.106,529 1.256,530 1.052,531 1.241,532 1.086,533 1.346,534 1.148,535 7,536 0.189,537 5.5,538 2.597,539 2.686,540 1.879,541 1.354,542 0.756,543 0.522,544 0.338,545 10746,546 38791,547 2.084,548 33.3,550 9,551 1,553 3,556 2,558 1.737,559 1.875,560 3.256,561 0.966,562 1,563 1,567 84.582,568 1.88,569 4.186,570 4.853,571 5.136,572 5.136,573 5.136,574 2.681,575 4.348,576 4.875,577 3.392,578 1475.55,579 8.557,580 19389.5,582 1,584 1,585 247.133,586 1.498,587 4.803,588 0.206,589 0.011,590 0.11,591 0.049,592 0.051,593 0.036,594 0.026,595 0.016,596 0.015,597 0.013,598 0.532,599 0.33,600 0.88,601 0.817,602 149.877,603 -0.089,604 -0.067,605 -0.004,606 0.046,607 -0.055,608 0.066,609 0.009,610 -0.089,611 0.029,612 -0.05,613 0.079,614 -0.014,615 -0.029,616 -0.108,617 0.01,618 -0.154,619 -0.024,620 -0.089,621 0.083,622 0.072,623 0.151,624 0.184,625 0.076,626 0.205,627 -0.022,628 0.065,629 0.044,630 0.066,631 -0.05,632 0.089,633 -0.091,634 -0.157,635 0.015,636 -0.118,637 -0.07,638 -0.034,639 0.171,640 0.025,641 -0.063,642 -0.142,643 0.206,644 -0.201,645 -0.122,646 -0.037,647 -0.192,648 -0.083,649 -0.162,650 -0.153,651 3.226,652 6.835,653 0.733,654 26.596,655 1.047,656 1.145,657 3.213,658 10.325,659 0.678,660 3.555,661 3.989,662 4.317,663 4.625,664 4.934,665 5.142,666 5.328,667 5.489,668 5.69,669 5.784,670 5.881,671 0.69,672 416.39,673 3.555,674 5.165,675 6.075,676 7.013,677 7.943,678 8.885,679 9.822,680 10.767,681 11.708,682 12.654,683 8.9,684 1,689 1,691 1,693 1,699 4,700 1,704 7,706 12,710 1,719 2,723 3,724 45,726 15,727 1,728 34,730 49,731 20,733 11,734 3,735 3,736 4,739 5,740 7,748 1,749 2,751 1,753 15,754 5,755 2,756 3,761 2,763 1,765 3,769 1,770 3,772 15,773 10,774 3,775 10,779 4,784 0.6,785 3,795 1,798 1,799 1,801 1,802 4,806 1,818 1,823 1,824 1,830 1,832 3,838 3,840 30,841 1,845 1,846 2,850 3,851 2,861 3,862 6.7,864 1,865 2,869 16,870 8.062,871 6.25,872 2.604,874 2.605,875 1.319,876 1.006,877 4.177,878 10.777,879 3.784,880 4.419,881 4.994,882 5.54,883 6.118,884 6.514,885 6.948,886 7.351,887 7.77,888 8.018,889 0.857,890 53,891 11.398,893 5.559,894 8.456,895 20.229,897 17.947,899 2.956,900 88.667,904 141.253,905 98.354,906 55.931,908 92.973,909 44.88,911 98.354,912 234.226,913 100.812,915 46.156,916 37.905,917 115.802,918 42.74,919 61.307,920 129.482,922 141.253,923 154.285,924 137.854,927 162.591,928 116.515,931 40.233,932 97.267,933 16.786,935 186.134,936 148.905,937 98.354,940 141.253,941 51.402,942 53.201,944 187.536,945 141.253,946 193.785,947 98.354,949 0.613,950 0.364,951 0.192,952 0.108,953 30,954 15,955 0.061,956 3,957 2,958 1.182,959 3.941,960 298.425,961 0.182,962 22,963 143.207,968 19.103,969 6.56,970 3.008,972 193.785,973 3.616,974 4.258,978 -3.3,980 75.581,981 433.392,982 43,987 24.114,989 0.912,991 -3.189,994 47.112,995 51.547,996 0.342,997 0.762,998 0.884,999 0.935,1000 0.935,1001 0.935,1002 5.106,1003 1.808,1004 6.125,1005 5.589,1006 4.673,1007 5.106,1008 1.953,1009 7.05,1010 4.59,1011 6.357,1012 1.479,1013 7.765,1014 5.322,1015 4.575,1016 5.121,1017 0.57,1018 8.238,1019 4.452,1020 7.713,1021 1.254,1022 9.504,1023 3.973,1024 6.428,1025 7.3,1026 2.346,1027 11.341,1028 6.284,1029 9.098,1030 1.08,1031 11.297,1032 3.292,1033 7.091,1034 8.049,1035 0.479,1036 13.298,1037 6.921,1038 10.51,1039 1,1040 13.126,1041 3.144,1042 8.495,1043 9.779,1044 2.951,1045 15.963,1046 8.302,1047 11.94,1048 0.51,1049 14.978,1050 3.02,1051 9.467,1052 10.853,1053 0.346,1054 18.218,1055 9.254,1056 13.385,1057 0.329,1058 16.846,1059 1.366,1060 10.723,1061 12.41,1062 3.628,1063 20.743,1064 10.489,1065 3.395,1066 0.01,1067 18.727,1068 0.83,1069 11.823,1070 13.646,1071 0.237,1072 23.118,1073 11.57,1074 3.308,1075 11.988,1076 20.618,1077 0.026,1078 13.033,1079 15.128,1080 4.332,1081 25.599,1082 12.759,1083 2.909,1084 11.759,1085 22.516,1086 4.272,1087 14.187,1088 16.45,1089 0.158,1090 28.025,1091 13.895,1092 2.841,1093 9.862,1094 24.42,1095 3.898,1096 15.384,1097 17.899,1098 5.048,1099 30.493,1100 15.073,1101 2.453,1102 9.672,1103 26.329,1104 3.66,1105 16.564,1106 19.268,1107 0.104,1108 32.943,1109 16.233,1110 2.253,1111 8.117,1112 28.242,1113 3.346,1114 17.76,1115 20.705,1116 5.769,1117 35.409,1118 17.41,1119 1.915,1120 6.737,1121 30.159,1122 3.076,1123 18.952,1124 22.102,1125 0.068,1126 37.87,1127 18.582,1128 10109,1129 19356,1130 22.024,1131 30.529,1132 53.965,1133 56.022,1134 56.369,1135 53.328,1136 53.089,1137 65.721,1138 6.073,1139 169.395,1140 50.704,1141 5.648,1142 5.797,1143 6.311,1144 5.446,1145 5.395,1146 7.272,1147 2.873,1148 19.693,1149 5.32,1150 18.633,1151 1.587,1152 1.648,1153 1.658,1154 1.568,1155 1.561,1156 1.933,1157 0.179,1158 4.982,1159 1.491,1160 4.098,1161 4.14,1162 4.058,1163 3.973,1164 8.212,1165 3.986,1166 3.983,1167 4.017,1168 3.922,1169 3.875,1170 8.201,1171 3.883,1172 3.839,1173 3.862,1174 3.808,1175 3.745,1176 8.191,1177 3.756,1178 3.585,1179 3.598,1180 3.563,1181 3.425,1182 7.48,1183 3.453,1184 3.186,1185 3.249,1186 3.136,1187 2.917,1188 7.422,1189 2.955,1190 3.095,1191 3.141,1192 3.049,1193 2.854,1194 6.351,1195 2.895,1196 2.968,1197 2.985,1198 2.883,1199 2.733,1200 5.032,1201 2.734,1202 2.898,1203 2.956,1204 2.822,1205 2.645,1206 4.787,1207 2.695,1208 0.137,1209 0.112,1210 0.207,1211 0.129,1212 0.1,1213 4.648,1214 0.126,1215 3.797,1216 0.042,1217 7.027,1218 0.353,1219 4.37,1220 0.098,1221 3.395,1222 4.272,1223 1.437,1224 11.988,1225 3.32,1226 1.956,1227 1.933,1228 2.003,1229 2.093,1230 1.149,1231 2.065,1232 1.809,1233 1.788,1234 1.883,1235 1.931,1236 1.069,1237 1.916,1238 1.573,1239 1.537,1240 1.732,1241 1.778,1242 1.02,1243 1.762,1244 1.398,1245 1.353,1246 1.591,1247 1.611,1248 0.94,1249 1.585,1250 1.326,1251 1.265,1252 1.529,1253 1.486,1254 0.612,1255 1.526,1256 1.045,1257 0.962,1258 1.345,1259 1.398,1260 0.439,1261 1.387,1262 0.951,1263 0.915,1264 1.121,1265 1.255,1266 0.162,1267 1.191,1268 0.859,1269 0.804,1270 1.036,1271 1.113,1272 0.06,1273 1.079,1274 4.234,1275 1.946,1276 5.638,1277 4.263,1278 7.245,1279 6.33,1280 8.952,1281 8.304,1282 10.713,1286 42.668,1288 5.92,1289 9.364,1290 1.007,1294 0.565,1295 2.731,1300 31.068,1301 84.582,1302 188.362,1303 218.379,1304 231.133,1305 231.133,1306 231.133,1307 91.248,1308 8.172,1309 101.45,1310 101.45,1311 26,1312 13.146,1313 4,1314 3.322,1315 41.214,1316 103,1317 126,1318 0.195,1319 182.064,1320 335.78,1321 435.997,1322 37368,1323 6.7,1324 21.317,1325 0.711,1326 0.512,1327 18.706,1328 15.35,1329 14.257,1330 0.419,1331 0.271,1332 9.014,1333 13.444,1334 8.944,1335 7.236,1336 13.042,1337 9.211,1338 14.084,1339 0.266,1340 0.144,1341 12.384,1342 7.618,1343 12.141,1344 0.164,1345 0.077,1346 10.936,1347 5.68,1348 10.264,1349 0.102,1350 0.039,1351 9.169,1352 3.973,1353 8.393,1354 0.061,1355 0.02,1356 7.624,1357 2.749,1358 0.294,1359 91.681,1360 0.213,1361 27.505,1362 0.575,1363 174,1364 726.202,1365 200.378,1366 616.316,1367 805.18,1368 568,1369 217,1370 572.444,1371 243.657,1372 556.712,1373 832.62,1374 524,1375 5.395} {0 CHEMBL428709,1 1.602,2 10.654,3 2.722,4 7.408,5 100.224,6 7.765,7 0.444,8 3.883,9 4.007,10 3.455,11 3.418,12 5.168,13 3.409,14 4.321,15 4.483,16 3.727,17 3.756,18 5.615,19 3.705,20 4.591,21 4.804,22 3.729,23 3.89,24 5.672,25 3.811,26 4.618,27 4.836,28 3.762,29 3.921,30 5.739,31 3.831,32 4.657,33 4.863,34 3.794,35 3.977,36 5.785,37 3.89,38 4.74,39 4.975,40 3.783,41 3.998,42 5.772,43 3.89,44 4.719,45 4.966,46 3.727,47 3.915,48 5.78,49 3.809,50 4.647,51 4.902,52 3.685,53 3.741,54 5.838,55 3.668,56 0.074,57 0.668,58 8.324,59 3.629,60 18.258,61 4.621,62 0.26,63 0.983,64 14.055,65 6.249,66 47.076,67 8.222,68 0.291,69 1.178,70 20.959,71 7.73,72 55.184,73 10.541,74 0.266,75 1.21,76 21.54,77 8.567,78 57.848,79 11.752,80 0.263,81 1.282,82 21.722,83 8.393,84 55.548,85 11.448,86 0.25,87 1.358,88 24.715,89 9.373,90 47.443,91 13.323,92 0.276,93 1.31,94 24.721,95 8.785,96 50.126,97 12.673,98 0.271,99 1.157,100 24.016,101 7.71,102 49.147,103 11.184,104 34,105 34,106 0.275,107 0.674,108 0.821,109 0.903,110 0.911,111 0.911,112 3.304,113 0.891,114 -3.41,115 -3.39,116 -3.24,118 42.2,120 3,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,159 1,160 1,161 1,163 1,167 1,168 12,169 1,171 1,172 3,174 1,175 3,176 1,177 3,179 1,180 14,181 1,186 3,191 3,194 14,195 1,198 5,200 1,201 2,203 5,206 13,207 1,208 2,210 6,215 5,218 12,219 1,220 2,222 7,227 5,229 8,230 2,232 2,234 8,237 1,239 6,242 4,243 3,245 2,247 7,248 1,252 6,255 1,256 2,257 2,258 2,259 6,261 1,262 2,264 4,265 1,268 1,269 2,270 1236,271 17.543,272 17.543,273 17.543,274 17.543,275 17.543,276 15.236,277 14.92,278 11.04,279 17.836,280 13.347,281 13.347,282 13.347,283 13.347,284 13.347,285 9.954,286 15.425,287 5.218,288 13.769,289 3.89,290 1.562,291 0.7,292 0.222,293 0.178,294 0.178,295 3.971,298 1,299 1,300 1,301 557,302 4.183,306 195.643,313 1.654,314 25.231,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 56.5,326 277,327 4.392,328 3.926,329 6.508,330 4.026,331 3.029,332 3.987,333 2.341,334 10.224,335 3.019,336 3.984,337 3.596,338 5.558,339 3.56,340 2.606,341 3.498,342 1.464,343 7.565,344 2.498,345 3.766,346 3.07,347 5.164,348 3.237,349 2.25,350 3.082,351 0.947,352 6.242,353 2.219,354 3.552,355 2.912,356 4.751,357 3.199,358 2.232,359 2.776,360 0.133,361 5.238,362 2.128,363 3.47,364 2.432,365 4.659,366 2.916,367 1.956,368 2.706,370 5.176,371 1.87,372 3.232,373 2.079,374 4.109,375 2.564,376 1.577,377 2.167,379 3.72,380 1.552,381 2.966,382 1.848,383 3.564,384 2.377,385 1.398,386 1.793,388 2.946,389 1.364,390 2.725,391 1.478,392 3.495,393 2.185,394 1.195,395 1.678,397 2.621,398 1.182,399 2.636,400 1.21,401 3.261,402 1.957,403 1,404 1.554,406 2.136,407 0.954,408 2.5,409 1.101,410 3.247,411 1.91,412 1,413 1.5,415 1.925,416 0.909,417 2.204,418 1,419 3.084,420 1.801,421 0.804,422 1.062,424 1.656,425 0.798,426 1.376,427 0.628,428 2.593,429 1.123,430 0.122,431 0.136,433 0.278,434 0.121,435 1.294,436 0.58,437 2.394,438 0.798,439 -0.139,440 -0.179,442 -0.317,443 -0.129,444 0.88,445 0.287,446 2.29,447 0.334,448 -0.592,449 -0.8,451 -0.97,452 -0.538,453 0.738,454 -0.014,455 1.868,456 0.305,457 -0.684,458 -0.954,460 -1.545,461 -0.665,462 12.167,463 0.468,464 0.489,465 0.019,466 36,467 1.385,468 20,469 0.769,470 16,471 0.615,472 18.219,473 0.701,474 27.433,475 0.61,476 27.056,477 1.041,478 7.333,479 0.282,480 5.264,481 0.202,482 0.121,484 0.247,487 0.901,488 1.186,489 0.811,490 0.974,491 0.728,492 0.887,493 0.391,494 0.972,495 0.857,496 1.116,497 0.346,498 1.082,499 0.974,500 0.95,501 1.023,502 0.955,503 0.813,504 0.992,505 0.675,506 0.976,507 0.903,508 1.04,509 0.635,510 1.029,511 0.86,512 1.06,513 1.074,514 1.093,515 0.866,516 1.117,517 0.626,518 1.095,519 0.964,520 1.113,521 0.535,522 1.101,523 0.665,524 1.062,525 0.976,526 1.111,527 0.637,528 1.092,529 0.932,530 1.105,531 0.863,532 1.049,533 0.793,534 0.952,535 4.5,536 0.115,537 2,538 1.563,539 0.773,540 0.479,541 0.463,542 0.451,543 0.292,544 0.193,545 7179,546 25190,547 1.974,548 42.2,549 4,550 7,552 2,553 4,554 2,558 1.697,559 1.857,560 3.365,561 1.735,562 1,563 1,567 72.103,568 1.602,569 3.93,570 4.792,571 5.27,572 5.314,573 5.314,574 2.888,575 4.47,576 4.664,577 3.541,578 1150.73,579 8.119,580 14832.7,582 1,584 1,585 247.133,586 1.335,587 4.634,588 0.167,589 0.007,590 0.059,591 0.046,592 0.022,593 0.013,594 0.013,595 0.014,596 0.01,597 0.008,598 0.359,599 0.17,600 1,601 1.916,602 127.918,603 -0.138,604 -0.019,605 -0.015,606 0.059,607 -0.072,608 0.048,609 0.306,610 0.114,611 -0.014,612 -0.077,613 0.241,614 -0.103,615 -0.151,616 0.042,617 -0.09,618 0.058,619 -0.101,620 0.005,621 0.032,622 -0.012,623 0.024,624 0.001,625 0.035,626 0.001,627 -0.128,628 -0.051,629 -0.167,630 -0.071,631 -0.125,632 -0.117,633 -0.013,634 -0.133,635 -0.029,636 -0.088,637 0.001,638 -0.067,639 0.012,640 -0.099,641 -0.015,642 -0.115,643 -0.007,644 -0.074,645 0.002,646 -0.181,647 0.158,648 -0.08,649 0.076,650 0.05,651 2.472,652 3.7,653 0.462,654 27.041,655 1.008,656 1.129,657 2.181,658 4.757,659 0.673,660 3.332,661 3.555,662 3.714,663 3.932,664 4.094,665 4.111,666 4.234,667 4.317,668 4.234,669 4.174,670 6.401,671 0.649,672 349.43,673 3.332,674 4.812,675 5.602,676 6.435,677 7.251,678 8.096,679 8.926,680 9.779,681 10.618,682 11.475,683 11.1,684 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 45,726 16,727 1,728 27,730 46,731 19,733 11,734 2,735 4,736 2,739 2,740 2,743 1,751 3,752 1,753 15,754 3,756 3,761 1,763 1,764 1,765 3,768 1,769 1,772 19,773 7,774 4,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,824 1,830 1,832 2,840 26,841 1,845 1,846 3,847 1,853 1,858 1,860 1,862 4.4,864 1,865 1,869 14,870 7.8,871 6.056,872 2.528,874 2.565,875 1.39,876 0.932,877 7.356,878 9.145,879 3.664,880 4.143,881 4.605,882 5.134,883 5.599,884 5.775,885 6.174,886 6.504,887 6.704,888 6.934,889 1,890 34,891 9.478,893 3.811,894 8.058,895 17.575,897 13.44,899 2.558,900 66.5,903 1,904 176.567,905 123.328,906 115.538,908 67.828,911 123.328,912 244.395,913 115.538,915 40.501,916 66.334,917 143.25,918 78.253,919 1.899,920 153.024,922 176.567,923 238.866,924 67.828,927 176.567,928 67.828,931 106.441,932 88.153,933 44.273,935 176.567,936 183.367,937 123.328,940 176.567,941 22.726,942 84.429,943 34.184,944 165.356,945 176.567,946 183.367,947 123.328,949 0.549,950 0.295,951 0.162,952 0.086,953 12,954 6,955 0.174,956 8,958 1,959 3.774,960 197.729,962 12,963 122.211,968 19.173,969 9.976,970 6.351,972 183.367,973 14.751,974 4.157,978 2.543,980 93.591,981 483.261,982 38,987 10.7,989 2.006,990 3.438,991 0.153,994 45.349,995 50.817,996 0.292,997 0.716,998 0.872,999 0.96,1000 0.968,1001 0.968,1002 4.852,1003 1.195,1004 5.533,1005 2.946,1006 4.234,1007 4.828,1008 2.724,1009 6.24,1010 4.181,1011 6.037,1012 1,1013 7.02,1014 2.621,1015 3.611,1016 4.35,1017 2.331,1018 6.969,1019 3.542,1020 7.308,1021 1,1022 8.612,1023 2.136,1024 5.707,1025 6.893,1026 3.852,1027 10.06,1028 5.618,1029 8.609,1030 0.804,1031 10.271,1032 1.925,1033 5.916,1034 7.213,1035 4.145,1036 11.709,1037 5.823,1038 9.939,1039 0.122,1040 11.976,1041 1.656,1042 7.46,1043 9.219,1044 5.296,1045 14.302,1046 7.351,1047 11.29,1048 -0.139,1049 13.715,1050 0.278,1051 8.095,1052 9.965,1053 5.902,1054 16.343,1055 7.991,1056 12.658,1057 -0.592,1058 15.48,1059 -0.317,1060 9.384,1061 11.695,1062 6.886,1063 18.763,1064 9.27,1065 3.029,1066 -0.684,1067 17.266,1068 -0.97,1069 10.245,1070 12.692,1071 7.631,1072 20.968,1073 10.139,1074 2.606,1075 10.224,1076 19.068,1077 -1.545,1078 11.419,1079 14.266,1080 8.54,1081 23.326,1082 11.307,1083 2.25,1084 7.565,1085 20.882,1086 3.987,1087 12.398,1088 15.415,1089 9.345,1090 25.6,1091 12.294,1092 2.232,1093 6.242,1094 22.708,1095 3.498,1096 13.523,1097 16.902,1098 10.221,1099 27.936,1100 13.416,1101 1.956,1102 5.238,1103 24.541,1104 3.082,1105 14.562,1106 18.143,1107 11.052,1108 30.238,1109 14.461,1110 1.577,1111 5.176,1112 26.382,1113 2.776,1114 15.668,1115 19.579,1116 11.914,1117 32.566,1118 15.567,1119 1.398,1120 3.72,1121 28.228,1122 2.706,1123 16.737,1124 20.876,1125 12.756,1126 34.881,1127 16.641,1128 7397,1129 13950,1130 17.682,1131 30.267,1132 39.891,1133 41.396,1134 39.541,1135 38.418,1136 38.337,1137 51.877,1138 9.77,1139 99.455,1140 37.23,1141 5.209,1142 5.926,1143 6.31,1144 5.061,1145 5.029,1146 6.987,1147 3.925,1148 17.027,1149 5.019,1150 13.706,1151 1.477,1152 1.533,1153 1.464,1154 1.423,1155 1.42,1156 1.921,1157 0.362,1158 3.684,1159 1.379,1160 4.008,1161 4.038,1162 3.956,1163 3.948,1164 7.474,1165 3.946,1166 3.81,1167 3.854,1168 3.749,1169 3.714,1170 6.832,1171 3.716,1172 3.695,1173 3.741,1174 3.581,1175 3.549,1176 6.351,1177 3.544,1178 3.555,1179 3.629,1180 3.516,1181 3.299,1182 5.124,1183 3.346,1184 3.376,1185 3.405,1186 3.291,1187 3.2,1188 4.919,1189 3.217,1190 3.063,1191 3.132,1192 2.99,1193 2.846,1194 4.72,1195 2.867,1196 3.009,1197 3.064,1198 2.894,1199 2.798,1200 4.249,1201 2.815,1202 2.828,1203 2.932,1204 2.672,1205 2.636,1206 4.067,1207 2.628,1208 0.163,1209 0.145,1210 0.241,1211 0.149,1212 0.112,1213 4.392,1214 0.148,1215 3.926,1216 0.087,1217 6.508,1218 0.379,1219 4.026,1220 0.112,1221 3.029,1222 3.987,1223 2.341,1224 10.224,1225 3.019,1226 1.977,1227 1.953,1228 2.074,1229 2.058,1230 1.283,1231 2.065,1232 1.791,1233 1.755,1234 1.924,1235 1.919,1236 1.124,1237 1.919,1238 1.678,1239 1.629,1240 1.887,1241 1.856,1242 0.942,1243 1.868,1244 1.42,1245 1.353,1246 1.549,1247 1.707,1248 0.674,1249 1.667,1250 1.315,1251 1.274,1252 1.499,1253 1.531,1254 0.373,1255 1.519,1256 0.984,1257 0.944,1258 1.219,1259 1.232,1260 0.304,1261 1.214,1262 0.933,1263 0.866,1264 1.13,1265 1.201,1266 0.123,1267 1.17,1268 0.788,1269 0.716,1270 1.05,1271 1.092,1272 0.04,1273 1.107,1274 4.007,1276 5.252,1278 6.683,1280 8.206,1282 9.782,1288 5.616,1289 8.792,1290 1.31,1291 2.856,1298 8.55,1299 1.627,1300 29.224,1301 72.103,1302 176.83,1303 215.624,1304 237.133,1305 239.133,1306 239.133,1307 54.509,1308 6.581,1309 124.39,1310 124.39,1311 12,1312 12.032,1313 4.087,1314 3.585,1315 54.605,1316 93,1317 114,1318 0.273,1319 188.001,1320 334.28,1321 450.482,1322 5233,1324 18.778,1325 0.722,1326 0.542,1327 18.778,1328 14.092,1329 12.597,1330 0.467,1331 0.297,1332 7.924,1333 12.148,1334 7.767,1335 6.508,1336 12.597,1337 8.019,1338 10.663,1339 0.314,1340 0.16,1341 10.663,1342 5.448,1343 7.77,1344 0.194,1345 0.088,1346 7.77,1347 3.532,1348 6.466,1349 0.129,1350 0.048,1351 6.466,1352 2.418,1353 4.849,1354 0.082,1355 0.027,1356 4.849,1357 1.576,1358 0.424,1359 78.739,1360 0.238,1361 25.235,1362 0.758,1363 122,1364 400.466,1365 133.533,1366 397.629,1367 522.83,1368 366,1369 135,1370 368.103,1371 143.653,1372 376.777,1373 529.48,1374 352,1375 6.367} {0 CHEMBL429786,1 1.471,2 12.781,3 5.213,4 27.176,5 121.835,6 7.423,7 0.514,8 4.15,9 4.25,10 3.712,11 3.717,12 5.283,13 3.693,14 4.67,15 4.817,16 4.016,17 4.095,18 5.783,19 4.043,20 4.955,21 5.156,22 4.092,23 4.231,24 5.973,25 4.149,26 4.966,27 5.175,28 4.067,29 4.214,30 5.905,31 4.131,32 5.016,33 5.22,34 4.088,35 4.22,36 6.008,37 4.141,38 5.051,39 5.276,40 3.999,41 4.183,42 6.036,43 4.088,44 4.988,45 5.23,46 3.849,47 4.085,48 5.969,49 3.972,50 4.843,51 5.091,52 3.722,53 3.998,54 5.787,55 3.875,56 0.078,57 0.763,58 11.656,59 5.665,60 12.596,61 7.017,62 0.237,63 1.242,64 21.483,65 9.361,66 43.775,67 11.924,68 0.497,69 1.591,70 31.333,71 12.211,72 63.852,73 16.209,74 0.289,75 1.634,76 31.533,77 12.176,78 39.069,79 16.238,80 0.39,81 1.658,82 33.739,83 12.702,84 47.599,85 16.6,86 0.422,87 1.691,88 36.109,89 13.008,90 59.327,91 17.224,92 0.567,93 1.573,94 34.879,95 12.132,96 74.701,97 16.353,98 0.414,99 1.375,100 29.858,101 10.921,102 64.2,103 14.91,104 8,105 46,106 0.238,107 0.572,108 0.755,109 0.869,110 0.894,111 0.894,112 3.502,113 0.929,114 -4.92,115 -4.83,116 -4.53,118 44.8,120 4,121 1,124 2,140 10,141 4,142 1,143 2,153 1,154 1,162 1,163 1,167 1,168 18,172 7,173 1,175 1,180 21,185 1,186 11,189 1,194 18,197 1,198 13,206 12,207 2,209 1,210 15,215 2,218 10,219 3,222 11,227 3,229 8,230 3,233 1,234 8,239 3,242 11,243 2,246 1,247 4,252 2,255 16,259 2,260 1,267 20,270 1746,271 22.156,272 22.156,273 22.156,274 22.156,275 22.156,276 19.561,277 16.403,278 13.675,279 22.449,280 17.34,281 17.34,282 17.34,283 17.34,284 17.34,285 13.531,286 13.548,287 6.506,288 17.785,289 4.387,290 2.329,291 1.198,292 0.496,293 0.345,294 0.345,295 4.204,299 1,300 1,301 881,302 3.873,306 405.384,310 154.814,313 1.934,314 27.776,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 69,326 409,327 4.434,328 4,329 6.692,330 4.12,331 3.131,332 4.061,333 2.423,334 10.838,335 3.098,336 4.369,337 3.632,338 6.498,339 3.992,340 3.006,341 3.943,342 2.373,343 10.173,344 2.962,345 3.736,346 3.37,347 5.744,348 3.428,349 2.465,350 3.298,351 0.922,352 7.733,353 2.368,354 3.654,355 2.938,356 5.247,357 3.27,358 2.278,359 2.854,361 6.4,362 2.259,363 3.492,364 2.747,365 4.738,366 3.159,367 2.165,368 2.66,370 5.229,371 2.121,372 3.277,373 2.278,374 4.533,375 2.763,376 1.805,377 2.579,379 4.502,380 1.726,381 2.951,382 2.008,383 4.22,384 2.618,385 1.628,386 2.119,388 4.024,389 1.618,390 2.848,391 1.753,392 4.12,393 2.59,394 1.618,395 1.908,397 3.777,398 1.557,399 2.781,400 1.691,401 3.638,402 2.347,403 1.389,404 1.899,406 3.061,407 1.324,408 2.649,409 1.406,410 3.555,411 2.299,412 1.317,413 1.649,415 2.88,416 1.291,417 2.5,418 1.317,419 3.469,420 2.155,421 1.169,422 1.5,424 2.542,425 1.148,426 2.5,427 1.278,428 3.301,429 2,430 1,431 1.5,433 2.136,434 1,435 2.358,436 1.092,437 3.247,438 1.956,439 1,440 1.335,442 2.136,443 0.954,444 2.143,445 1,446 3.247,447 1.79,448 0.835,449 1.043,451 2.001,452 0.792,453 1.78,454 1,455 3,456 1.47,457 0.555,458 0.644,460 1.269,461 0.498,462 15.133,463 0.473,464 0.538,465 0.017,466 41.25,467 1.289,468 21.5,469 0.672,470 19.75,471 0.617,472 27.12,473 0.848,474 34.067,475 0.587,476 31.313,477 0.979,478 8.23,479 0.257,480 7.49,481 0.234,482 0.044,484 0.264,487 0.719,488 1.096,489 0.783,490 1.037,491 0.685,492 0.944,493 0.832,494 1.125,495 0.951,496 1.085,497 0.53,498 1.046,499 0.842,500 1.022,501 0.95,502 0.974,503 0.783,504 0.979,505 0.916,506 1.083,507 0.993,508 1.074,509 0.504,510 1.045,511 1.14,512 1.11,513 1.05,514 1.085,515 0.653,516 1.059,517 1.215,518 1.069,519 1.081,520 1.046,521 0.937,522 1.041,523 1.153,524 0.932,525 1.072,526 0.922,527 1.255,528 0.97,529 0.948,530 0.832,531 0.99,532 0.874,533 1.321,534 0.926,535 4,536 0.157,537 3.111,538 1.75,539 1.129,540 0.611,541 0.422,542 0.406,543 0.267,544 0.162,545 15109,546 41390,547 2.12,548 44.8,549 7,550 14,552 2,553 1,555 2,558 1.744,559 2.043,560 3.612,561 -0.403,567 85.34,568 1.471,569 3.529,570 4.66,571 5.362,572 5.513,573 5.513,574 3.063,575 3.989,576 4.974,577 3.837,578 1902.94,579 8.697,580 28883.1,585 339.763,586 1.122,587 4.957,588 0.114,589 0.004,590 0.068,591 0.036,592 0.025,593 0.013,594 0.01,595 0.012,596 0.008,597 0.005,598 0.296,599 0.17,600 1,601 0.875,602 170.169,603 0.051,604 0.005,605 0.048,606 0.015,607 -0.007,608 0.025,609 0.029,610 -0.073,611 -0.06,612 -0.062,613 0.14,614 -0.074,615 0.083,616 -0.019,617 0.007,618 0.02,619 0.035,620 0.003,621 -0.041,622 -0.061,623 -0.037,624 -0.095,625 0.008,626 -0.068,627 -0.067,628 -0.118,629 -0.066,630 -0.107,631 0.007,632 -0.091,633 -0.121,634 -0.095,635 -0.072,636 -0.081,637 -0.056,638 -0.07,639 -0.062,640 0.032,641 -0.045,642 0.036,643 -0.117,644 0.006,645 -0.049,646 0.131,647 0.01,648 0.102,649 -0.14,650 0.074,651 2.635,652 3.882,653 0.688,654 32.063,655 1.002,656 1.118,657 3.693,658 13.637,659 0.672,660 3.584,661 3.85,662 4.111,663 4.369,664 4.595,665 4.564,666 4.673,667 4.736,668 4.779,669 4.754,670 7.747,671 0.642,672 430.54,673 3.584,674 5.094,675 5.927,676 6.783,677 7.638,678 8.503,679 9.366,680 10.235,681 11.102,682 11.973,683 3.4,692 1,693 1,699 12,700 1,704 5,706 18,709 1,722 1,724 58,726 20,727 2,728 35,730 61,731 26,733 17,734 4,735 8,736 1,739 4,740 5,748 3,749 1,751 4,753 19,754 7,755 1,756 2,761 1,764 1,765 2,772 26,773 6,774 1,775 6,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,840 32,845 1,846 6,848 2,850 1,862 6.9,864 1,865 1,867 2,869 15.667,870 10.183,871 7.222,872 3.572,874 2.953,875 1.387,876 0.954,877 7.522,878 10.583,879 3.85,880 4.376,881 4.907,882 5.436,883 5.939,884 5.991,885 6.319,886 6.536,887 6.725,888 6.825,889 1,890 48,891 11.819,893 4.951,894 7.75,895 22.682,897 18.505,899 2.25,900 72,904 294.278,905 153.833,906 36.185,908 90.047,911 153.833,912 384.324,913 36.185,915 19.323,916 94.762,917 111.823,918 77.699,920 270.735,922 294.278,923 190.018,924 90.047,927 270.735,928 113.589,931 56.818,932 116.415,933 16.786,935 294.278,936 126.232,937 153.833,940 294.278,941 40.975,942 112.857,944 126.232,945 294.278,946 126.232,947 153.833,949 0.561,950 0.322,951 0.184,952 0.105,953 20,954 8,955 0.148,956 9,957 1,958 1.091,959 4.414,960 282.06,961 0.091,962 22,963 156,968 22.04,969 10.922,970 5.758,972 126.232,973 23.211,974 4.207,978 4.901,980 42.683,981 574.342,982 46,987 10.882,990 4.458,991 -0.212,994 58.116,995 64.817,996 0.251,997 0.602,998 0.795,999 0.915,1000 0.941,1001 0.941,1002 5.053,1003 1.618,1004 5.866,1005 4.024,1006 4.533,1007 5.063,1008 3.156,1009 6.635,1010 4.487,1011 6.216,1012 1.389,1013 7.388,1014 3.777,1015 3.892,1016 4.59,1017 2.243,1018 7.496,1019 3.849,1020 7.488,1021 1.317,1022 9.022,1023 3.061,1024 6.061,1025 7.151,1026 4.699,1027 10.63,1028 5.984,1029 8.799,1030 1.169,1031 10.728,1032 2.88,1033 6.33,1034 7.559,1035 4.238,1036 12.417,1037 6.256,1038 10.147,1039 1,1040 12.484,1041 2.542,1042 7.9,1043 9.543,1044 6.375,1045 15.042,1046 7.8,1047 11.522,1048 1,1049 14.274,1050 2.136,1051 8.616,1052 10.393,1053 6.111,1054 17.177,1055 8.516,1056 12.919,1057 0.835,1058 16.088,1059 2.136,1060 9.925,1061 12.1,1062 8.093,1063 19.634,1064 9.806,1065 3.131,1066 0.555,1067 17.92,1068 2.001,1069 10.86,1070 13.189,1071 7.928,1072 21.903,1073 10.737,1074 3.006,1075 10.838,1076 19.765,1077 1.269,1078 12.057,1079 14.752,1080 9.826,1081 24.301,1082 11.92,1083 2.465,1084 10.173,1085 21.618,1086 4.061,1087 13.095,1088 15.973,1089 9.719,1090 26.624,1091 12.951,1092 2.278,1093 7.733,1094 23.479,1095 3.943,1096 14.246,1097 17.457,1098 11.565,1099 29.001,1100 14.091,1101 2.165,1102 6.4,1103 25.346,1104 3.298,1105 15.332,1106 18.752,1107 11.499,1108 31.348,1109 15.168,1110 1.805,1111 5.229,1112 27.217,1113 2.854,1114 16.467,1115 20.193,1116 13.308,1117 33.718,1118 16.291,1119 1.628,1120 4.502,1121 29.091,1122 2.66,1123 17.574,1124 21.53,1125 13.274,1126 36.076,1127 17.39,1128 14367,1129 23928,1130 24.038,1131 38.966,1132 51.527,1133 53.981,1134 51.902,1135 51.089,1136 51.115,1137 66.416,1138 11.436,1139 138.333,1140 49.815,1141 5.387,1142 6,1143 6.494,1144 5.162,1145 5.131,1146 7.061,1147 4.797,1148 17.996,1149 5.098,1150 11.306,1151 1.472,1152 1.542,1153 1.483,1154 1.46,1155 1.46,1156 1.898,1157 0.327,1158 3.952,1159 1.423,1160 4.039,1161 4.066,1162 3.974,1163 3.971,1164 7.474,1165 3.967,1166 3.96,1167 3.989,1168 3.909,1169 3.894,1170 6.351,1171 3.893,1172 3.787,1173 3.827,1174 3.716,1175 3.699,1176 5.012,1177 3.699,1178 3.625,1179 3.66,1180 3.521,1181 3.478,1182 4.82,1183 3.473,1184 3.504,1185 3.52,1186 3.413,1187 3.26,1188 4.798,1189 3.286,1190 3.43,1191 3.489,1192 3.289,1193 3.242,1194 4.676,1195 3.25,1196 3.209,1197 3.261,1198 3.111,1199 3.058,1200 4.311,1201 3.068,1202 3,1203 3.055,1204 2.876,1205 2.831,1206 4.077,1207 2.828,1208 0.127,1209 0.114,1210 0.191,1211 0.118,1212 0.089,1213 4.434,1214 0.116,1215 4,1216 0.069,1217 6.692,1218 0.31,1219 4.12,1220 0.089,1221 3.131,1222 4.061,1223 2.423,1224 10.838,1225 3.098,1226 2.008,1227 1.983,1228 2.138,1229 2.097,1230 1.485,1231 2.111,1232 1.941,1233 1.915,1234 2.042,1235 2.032,1236 1.121,1237 2.035,1238 1.779,1239 1.742,1240 1.906,1241 1.893,1242 1.057,1243 1.902,1244 1.6,1245 1.557,1246 1.802,1247 1.784,1248 0.935,1249 1.784,1250 1.426,1251 1.361,1252 1.709,1253 1.672,1254 0.928,1255 1.666,1256 1.376,1257 1.359,1258 1.576,1259 1.622,1260 0.697,1261 1.623,1262 1.159,1263 1.115,1264 1.345,1265 1.361,1266 0.606,1267 1.35,1268 0.991,1269 0.931,1270 1.274,1271 1.198,1272 0.362,1273 1.229,1274 4.263,1276 5.541,1278 7.027,1280 8.613,1282 10.254,1289 8.926,1290 4,1292 11.294,1294 0.334,1300 37.224,1301 85.34,1302 204.663,1303 270.279,1304 311.008,1305 319.763,1306 319.763,1307 56.435,1308 7.63,1309 81.01,1310 81.01,1311 24,1312 12.516,1313 4.392,1314 3.585,1315 51.929,1316 153,1317 140,1318 0.165,1319 227.97,1320 404.34,1321 548.007,1322 23219,1324 22.175,1325 0.693,1326 0.557,1327 22.175,1328 17.815,1329 15.72,1330 0.449,1331 0.31,1332 10.718,1333 15.168,1334 10.52,1335 8.703,1336 15.72,1337 10.843,1338 13.425,1339 0.292,1340 0.169,1341 13.425,1342 7.765,1343 10.974,1344 0.183,1345 0.094,1346 10.974,1347 5.635,1348 9.29,1349 0.119,1350 0.053,1351 9.29,1352 4.164,1353 7.822,1354 0.08,1355 0.03,1356 7.822,1357 2.986,1358 0.264,1359 98.339,1360 0.204,1361 30.228,1362 0.437,1363 162,1364 486.647,1365 175.958,1366 464.657,1367 629.4,1368 436,1369 187,1370 456.439,1371 200.518,1372 458.422,1373 661.15,1374 432,1375 4.398} {0 CHEMBL430495,1 1.517,2 8.952,3 4.073,4 16.591,5 87.583,6 7.536,7 0.5,8 3.745,9 3.851,10 3.366,11 3.384,12 4.857,13 3.305,14 4.242,15 4.408,16 3.66,17 3.743,18 5.368,19 3.621,20 4.46,21 4.675,22 3.614,23 3.815,24 5.4,25 3.661,26 4.48,27 4.694,28 3.627,29 3.847,30 5.392,31 3.675,32 4.485,33 4.686,34 3.671,35 3.867,36 5.429,37 3.705,38 4.556,39 4.775,40 3.535,41 3.846,42 5.505,43 3.665,44 4.549,45 4.83,46 3.241,47 3.692,48 5.35,49 3.477,50 4.305,51 4.579,52 3.084,53 3.442,54 5.15,55 3.237,56 0.029,57 0.517,58 8.696,59 4.168,60 7.591,61 5.162,62 0.168,63 0.842,64 16.519,65 7.076,66 34.323,67 8.899,68 0.166,69 0.998,70 21.673,71 8.76,72 32.323,73 11.053,74 0.164,75 1.042,76 24.713,77 9.567,78 29.13,79 11.64,80 0.167,81 1.064,82 24.618,83 9.337,84 28.352,85 11.496,86 0.162,87 1.121,88 24.634,89 9.602,90 34.788,91 12.183,92 0.207,93 1.089,94 25.894,95 9.333,96 33.783,97 12.322,98 0.111,99 0.831,100 19.896,101 7.514,102 19.763,103 9.852,104 16,105 28,106 0.271,107 0.645,108 0.819,109 0.876,110 0.893,111 0.893,112 3.102,113 1.081,114 -4,115 -3.95,116 -3.74,118 42.5,119 1,120 4,133 1,134 1,140 3,141 2,143 2,149 1,150 1,154 1,163 1,167 1,168 10,169 1,172 3,175 1,177 1,180 12,181 1,186 3,191 1,194 13,195 1,198 2,203 1,206 13,207 1,210 4,215 1,218 12,219 1,222 4,227 1,229 9,230 1,234 2,239 1,242 6,243 1,247 2,252 1,255 3,256 3,259 3,260 1,264 3,268 3,270 700,271 14.156,272 14.156,273 14.156,274 14.156,275 14.156,276 12.366,277 7.993,278 8.85,279 14.418,280 10.882,281 10.882,282 10.882,283 10.882,284 10.882,285 8.311,286 3.363,287 4.221,288 11.285,289 3.805,290 1.712,291 0.738,292 0.419,293 0.319,294 0.319,295 3.763,298 1,299 1,300 1,301 386,302 3.536,305 66.288,306 77.388,313 1.206,314 15.978,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 188,327 4.46,328 3.596,329 6.659,330 4.065,331 3.099,332 4.084,333 2.341,334 10.683,335 2.997,336 3.908,337 3.147,338 5.68,339 3.456,340 2.485,341 3.484,343 7.452,344 2.406,345 3.55,346 2.564,347 4.66,348 3.24,349 2.234,350 2.711,352 5.184,353 2.222,354 3.325,355 2.028,356 4.564,357 2.841,358 1.858,359 2.615,361 4.573,362 1.824,363 2.758,364 1.695,365 3.844,366 2.543,367 1.554,368 1.82,370 3.268,371 1.532,372 2.599,373 1.323,374 3.625,375 2.182,376 1.227,377 1.617,379 2.927,380 1.167,381 2.555,382 1.306,383 3.434,384 1.975,385 1.123,386 1.573,388 2.46,389 0.953,390 2.5,391 1.117,392 3.315,393 1.956,394 1,395 1.5,397 2.136,398 0.928,399 2.288,400 1,401 3.247,402 1.888,403 0.91,404 1.155,406 2.055,407 0.878,408 1.63,409 0.677,410 2.805,411 1.348,412 0.382,413 0.465,415 0.89,416 0.364,417 0.933,418 0.373,419 2.199,420 0.714,421 -0.274,422 -0.3,424 -0.608,425 -0.268,426 0.659,427 0.016,428 2.191,429 0.282,430 -0.658,431 -0.796,433 -1.45,434 -0.609,435 0.548,436 -0.387,437 1.576,438 0.14,439 -0.847,440 -1.047,442 -1.888,443 -0.807,444 0.5,445 -0.703,446 1.555,447 -0.012,448 -1,449 -1.314,451 -2,452 -0.966,453 0.346,454 -0.936,455 1.541,456 -0.027,457 -1,458 -1.479,460 -2.347,461 -0.975,462 10.4,463 0.495,464 0.404,465 0.019,466 25,467 1.19,468 13,469 0.619,470 12,471 0.571,472 17.621,473 0.839,474 22.6,475 0.565,476 15.444,477 0.735,478 4.755,479 0.226,480 5.426,481 0.258,482 0.112,484 0.24,487 0.749,488 1.048,489 0.798,490 0.915,491 0.709,492 0.94,493 0.459,494 1.018,495 0.919,496 0.993,497 0.387,498 1.004,499 0.883,500 0.926,501 0.924,502 0.901,503 0.914,504 0.969,505 0.794,506 1,507 1.191,508 1.097,509 0.77,510 1.024,511 0.802,512 1.12,513 1.224,514 1.184,515 0.795,516 1.098,517 0.817,518 1.222,519 1.157,520 1.184,521 0.756,522 1.224,523 0.692,524 0.913,525 1.005,526 0.958,527 0.587,528 1.005,529 0.587,530 1.033,531 0.908,532 1.037,533 0.584,534 1.035,535 3,536 0.077,537 2,538 1.188,539 0.671,540 0.448,541 0.247,542 0.158,543 0.163,544 0.161,545 4121,546 12477,547 1.995,548 47.5,549 9,550 4,551 1,552 2,553 1,554 2,558 1.634,559 1.881,560 3.088,561 -0.338,563 1,567 60.68,568 1.517,569 3.61,570 4.584,571 4.903,572 5.003,573 5.003,574 2.458,575 3.88,576 4.358,577 3.306,578 694.285,579 7.484,580 7648.3,582 1,583 1,584 1,585 212.877,586 1.322,587 4.328,588 0.136,589 0.007,590 0.071,591 0.046,592 0.026,593 0.017,594 0.011,595 0.009,596 0.012,597 0.011,598 0.346,599 0.5,600 1,601 1.865,602 95.641,603 -0.051,604 0.017,605 0.047,606 0.076,607 -0.051,608 0.041,609 0.201,610 0.025,611 0.025,612 0.023,613 0.232,614 -0.012,615 -0.084,616 0.047,617 0.002,618 0.073,619 -0.094,620 0.019,621 -0.071,622 0.005,623 -0.08,624 -0.005,625 -0.068,626 -0.008,627 -0.07,628 -0.1,629 -0.124,630 -0.097,631 -0.094,632 -0.091,633 -0.091,634 -0.228,635 -0.202,636 -0.203,637 -0.072,638 -0.242,639 -0.046,640 0.057,641 -0.067,642 -0.021,643 -0.029,644 -0.02,645 0.068,646 -0.104,647 0.02,648 -0.093,649 0.042,650 -0.038,651 2.388,652 3.527,653 0.524,654 17.397,655 0.995,656 1.114,657 2.767,658 7.655,659 0.685,660 3.135,661 3.367,662 3.555,663 3.761,664 3.829,665 3.784,666 3.829,667 3.807,668 3.714,669 3.466,670 5.56,671 0.634,672 301.44,673 3.135,674 4.615,675 5.416,676 6.252,677 7.081,678 7.929,679 8.772,680 9.627,681 10.479,682 11.338,683 2.5,693 1,699 6,700 1,703 1,704 3,706 11,724 40,726 13,728 22,730 41,731 17,733 9,736 2,739 2,740 2,745 1,751 4,753 12,754 5,756 2,761 1,763 1,765 2,769 1,772 19,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,836 1,840 21,845 1,846 4,856 1,862 5,864 1,865 1,869 11.167,870 7.317,871 4.833,872 2.468,874 1.913,875 1.315,876 0.931,877 5.973,878 7.991,879 3.418,880 3.927,881 4.42,882 4.945,883 5.257,884 5.387,885 5.717,886 5.904,887 6.032,888 6.019,889 0.833,890 26,891 7.737,893 3.117,894 7.794,895 14.898,897 11.768,899 2.294,900 48.167,901 0.001,903 1,904 211.88,905 125.715,906 16.786,908 67.828,910 31.278,911 94.437,912 279.708,913 16.786,914 8.825,915 10.138,916 45.554,917 109.066,918 27.652,919 13.13,920 207.844,922 211.88,923 111.223,924 67.828,925 31.278,927 211.88,928 67.828,931 37.058,932 47.903,933 26.262,934 31.278,935 211.88,936 84.614,937 125.715,940 211.88,941 53.241,942 72.474,944 84.614,945 211.88,946 84.614,947 125.715,949 0.556,950 0.305,951 0.165,952 0.083,953 11,954 5,955 0.171,956 7,958 1,959 3.37,960 146.469,962 11,963 92.239,964 1,968 15.747,969 7.966,970 4.695,972 84.614,973 11.872,974 4.199,977 1.731,978 3.642,980 42.683,981 422.209,982 29.5,987 10.527,989 2.206,991 0.478,994 39.785,995 44.574,996 0.285,997 0.678,998 0.861,999 0.921,1000 0.94,1001 0.94,1002 4.593,1003 1,1004 5.352,1005 2.46,1006 4.043,1007 4.61,1008 2.258,1009 6.084,1010 3.976,1011 5.762,1012 0.91,1013 6.858,1014 2.136,1015 3.434,1016 4.182,1017 2.243,1018 6.917,1019 3.366,1020 7.032,1021 0.382,1022 8.478,1023 2.055,1024 5.533,1025 6.7,1026 3.628,1027 10.038,1028 5.415,1029 8.344,1030 -0.274,1031 10.173,1032 0.89,1033 5.832,1034 7.184,1035 4.112,1036 11.827,1037 5.687,1038 9.694,1039 -0.658,1040 11.921,1041 -0.608,1042 7.351,1043 9.1,1044 5.201,1045 14.449,1046 7.173,1047 11.071,1048 -0.847,1049 13.707,1050 -1.45,1051 8.086,1052 10.025,1053 5.889,1054 16.591,1055 7.867,1056 12.471,1057 -1,1058 15.518,1059 -1.888,1060 9.363,1061 11.672,1062 6.849,1063 19.052,1064 9.116,1065 3.099,1066 -1,1067 17.349,1068 -2,1069 10.309,1070 12.823,1071 7.625,1072 21.329,1073 10.018,1074 2.485,1075 10.683,1076 19.195,1077 -2.347,1078 11.489,1079 14.341,1080 8.526,1081 23.732,1082 11.169,1083 2.234,1084 7.452,1085 21.05,1086 4.084,1087 12.532,1088 15.61,1089 9.342,1090 26.062,1091 12.171,1092 1.858,1093 5.184,1094 22.914,1095 3.484,1096 13.676,1097 17.066,1098 10.216,1099 28.445,1100 13.283,1101 1.554,1102 4.573,1103 24.784,1104 2.711,1105 14.765,1106 18.396,1107 11.051,1108 30.796,1109 14.334,1110 1.227,1111 3.268,1112 26.658,1113 2.615,1114 15.896,1115 19.824,1116 11.912,1117 33.171,1118 15.432,1119 1.123,1120 2.927,1121 28.536,1122 1.82,1123 17.006,1124 21.187,1125 12.755,1126 35.532,1127 16.506,1128 4229,1129 7432,1130 14.504,1131 27.415,1132 32.328,1133 32.352,1134 32.754,1135 31.717,1136 31.745,1137 42.048,1138 4.682,1139 83.256,1140 30.542,1141 5.318,1142 5.596,1143 6.461,1144 5.136,1145 5.099,1146 7.084,1147 3.925,1148 17.763,1149 4.955,1150 10.128,1151 1.469,1152 1.471,1153 1.489,1154 1.442,1155 1.443,1156 1.911,1157 0.213,1158 3.784,1159 1.388,1160 3.994,1161 4.014,1162 4.246,1163 4.003,1164 7.474,1165 3.951,1166 3.779,1167 3.809,1168 3.801,1169 3.729,1170 6.351,1171 3.704,1172 3.724,1173 3.772,1174 3.601,1175 3.587,1176 4.917,1177 3.577,1178 3.452,1179 3.487,1180 3.355,1181 3.289,1182 4.66,1183 3.292,1184 3.124,1185 3.166,1186 3.013,1187 2.939,1188 4.225,1189 2.946,1190 3.017,1191 3.103,1192 3,1193 2.897,1194 3.904,1195 2.818,1196 2.809,1197 2.877,1198 2.639,1199 2.622,1200 3.79,1201 2.62,1202 2.74,1203 2.822,1204 2.588,1205 2.499,1206 3.701,1207 2.513,1208 0.203,1209 0.163,1210 0.303,1211 0.185,1212 0.141,1213 4.46,1214 0.186,1215 3.596,1216 0.106,1217 6.659,1218 0.486,1219 4.065,1220 0.136,1221 3.099,1222 4.084,1223 2.341,1224 10.683,1225 2.997,1226 1.908,1227 1.882,1228 2.028,1229 2.001,1230 1.322,1231 2.012,1232 1.719,1233 1.668,1234 1.925,1235 1.886,1236 1.091,1237 1.902,1238 1.606,1239 1.567,1240 1.797,1241 1.729,1242 0.886,1243 1.753,1244 1.447,1245 1.42,1246 1.646,1247 1.619,1248 0.834,1249 1.629,1250 1.271,1251 1.254,1252 1.365,1253 1.372,1254 0.594,1255 1.424,1256 1.032,1257 0.98,1258 1.319,1259 1.254,1260 0.427,1261 1.286,1262 0.79,1263 0.729,1264 1.093,1265 1.057,1266 0.227,1267 1.076,1268 0.727,1269 0.648,1270 1,1271 0.981,1272 0.126,1273 1.005,1274 3.807,1276 5.056,1277 2.398,1278 6.488,1279 4.595,1280 8.011,1281 6.555,1282 9.59,1284 2.112,1289 8.665,1290 2.735,1300 25.379,1301 60.68,1302 144.417,1303 183.367,1304 196.122,1305 200.122,1306 200.122,1307 36.813,1308 6.078,1309 50.19,1310 78.43,1311 11,1312 11.892,1313 3.807,1314 3.087,1315 39.166,1316 64,1317 79,1318 0.281,1319 164.479,1320 284.75,1321 393.09,1322 2633,1324 15.079,1325 0.718,1326 0.614,1327 15.433,1328 12.897,1329 10.182,1330 0.463,1331 0.36,1332 7.081,1333 9.483,1334 6.786,1335 5.687,1336 10.636,1337 7.93,1338 8.666,1339 0.309,1340 0.209,1341 9.223,1342 5.848,1343 6.552,1344 0.193,1345 0.127,1346 7.275,1347 4.322,1348 5.281,1349 0.126,1350 0.075,1351 6.082,1352 3.17,1353 3.772,1354 0.084,1355 0.041,1356 4.253,1357 1.863,1358 0.436,1359 67.285,1360 0.263,1361 21.005,1362 0.78,1363 100,1364 288.391,1365 128.098,1366 303.146,1367 402.32,1368 282,1369 112,1370 266.179,1371 136.2,1372 286.912,1373 409.98,1374 269,1375 7.538} {0 CHEMBL430678,1 1.486,2 9.625,3 3.402,4 11.572,5 89.474,6 7.567,7 0.462,8 3.86,9 3.952,10 3.432,11 3.401,12 5.009,13 3.392,14 4.377,15 4.516,16 3.742,17 3.763,18 5.577,19 3.725,20 4.574,21 4.775,22 3.679,23 3.866,24 5.57,25 3.779,26 4.57,27 4.775,28 3.625,29 3.856,30 5.536,31 3.756,32 4.593,33 4.807,34 3.63,35 3.871,36 5.553,37 3.763,38 4.64,39 4.861,40 3.654,41 3.861,42 5.624,43 3.761,44 4.62,45 4.839,46 3.587,47 3.787,48 5.571,49 3.686,50 4.541,51 4.768,52 3.467,53 3.637,54 5.505,55 3.539,56 0.051,57 0.554,58 8.437,59 4.226,60 9.911,61 5.007,62 0.369,63 0.888,64 16.096,65 6.838,66 44.756,67 8.435,68 0.277,69 1.061,70 21.16,71 8.663,72 41.821,73 11.271,74 0.271,75 1.06,76 21.071,77 8.686,78 38.853,79 11.38,80 0.241,81 1.098,82 21.568,83 8.917,84 38.604,85 11.932,86 0.284,87 1.144,88 23.087,89 8.941,90 43.067,91 12.012,92 0.359,93 1.09,94 23.03,95 8.631,96 40.512,97 11.462,98 0.354,99 0.982,100 21.803,101 7.835,102 35.922,103 10.406,104 11,105 34,106 0.259,107 0.619,108 0.787,109 0.874,110 0.907,111 0.907,112 3.228,113 0.919,114 -3.74,115 -3.7,116 -3.52,118 44.2,120 4,125 1,133 1,134 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 5,175 1,177 1,180 13,181 1,186 7,191 1,194 14,195 1,198 6,203 1,206 13,207 1,210 7,215 1,218 11,219 1,222 7,227 1,229 8,230 1,233 1,234 6,239 1,242 5,243 2,246 1,247 6,252 2,255 2,256 3,259 5,260 1,264 3,268 2,270 1004,271 16.466,272 16.466,273 16.466,274 16.466,275 16.466,276 14.625,277 12.168,278 10.186,279 16.68,280 12.886,281 12.886,282 12.886,283 12.886,284 12.886,285 10.106,286 9.733,287 4.882,288 13.218,289 3.94,290 1.88,291 0.921,292 0.419,293 0.233,294 0.233,295 3.913,298 1,299 1,300 1,301 493,302 3.606,305 61.579,306 150.211,309 105.506,313 1.406,314 22.991,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 52.5,326 231,327 4.432,328 3.596,329 6.524,330 4.057,331 3.071,332 4.065,333 2.341,334 10.286,335 3.035,336 4.143,337 3.319,338 6.142,339 3.76,340 2.802,341 3.681,342 1.392,343 9.046,344 2.667,345 3.579,346 2.979,347 5.204,348 3.24,349 2.235,350 3.001,351 0.532,352 6.242,353 2.222,354 3.549,355 2.219,356 4.659,357 3.13,358 2.15,359 2.71,361 5.184,362 2.103,363 3.065,364 1.994,365 4.387,366 2.696,367 1.701,368 2.244,370 4.251,371 1.688,372 2.885,373 1.968,374 4.148,375 2.48,376 1.534,377 2.022,379 3.843,380 1.45,381 2.756,382 1.73,383 3.637,384 2.451,385 1.478,386 1.795,388 3.126,389 1.426,390 2.5,391 1.47,392 3.464,393 2.117,394 1.126,395 1.5,397 2.529,398 1.113,399 2.432,400 1.307,401 3.374,402 1.999,403 1,404 1.364,406 2.263,407 0.996,408 2.182,409 1,410 3.247,411 1.956,412 1,413 1.146,415 2.136,416 0.953,417 1.732,418 0.843,419 3.037,420 1.528,421 0.55,422 0.628,424 1.257,425 0.533,426 1.562,427 0.691,428 2.835,429 1.281,430 0.326,431 0.387,433 0.791,434 0.309,435 0.935,436 0.425,437 2.428,438 0.729,439 -0.27,440 -0.293,442 -0.609,443 -0.267,444 0.705,445 0.034,446 2.192,447 0.292,448 -0.684,449 -0.883,451 -1.657,452 -0.662,453 0.592,454 -0.468,455 2.098,456 0.144,457 -0.846,458 -1.052,460 -2,461 -0.815,462 11.233,463 0.468,464 0.435,465 0.018,466 31,467 1.292,468 16,469 0.667,470 15,471 0.625,472 17.756,473 0.74,474 25.967,475 0.604,476 21.431,477 0.893,478 6.194,479 0.258,480 5.543,481 0.231,482 0.059,484 0.267,487 0.818,488 1.174,489 0.771,490 1.089,491 0.723,492 0.95,493 0.798,494 1.025,495 0.927,496 1.013,497 0.493,498 0.997,499 0.812,500 0.965,501 0.946,502 0.974,503 0.879,504 0.987,505 0.771,506 1.004,507 0.996,508 1.022,509 0.797,510 1.052,511 0.64,512 1.068,513 0.954,514 1.062,515 0.753,516 1.073,517 0.755,518 1.055,519 0.973,520 1.041,521 0.746,522 1.045,523 0.881,524 1.049,525 1.041,526 1.064,527 0.66,528 1.081,529 0.978,530 1.076,531 1.036,532 1.079,533 0.674,534 1.072,535 3.5,536 0.103,537 2.222,538 1.194,539 0.719,540 0.448,541 0.362,542 0.218,543 0.229,544 0.143,545 6351,546 19613,547 2.089,548 44.2,549 6,550 6,551 2,552 2,553 1,554 2,558 1.673,559 2,560 3.237,561 -0.342,563 1,565 1,567 63.908,568 1.486,569 3.547,570 4.505,571 5.008,572 5.194,573 5.194,574 2.669,575 3.918,576 4.55,577 3.434,578 947.907,579 7.876,580 11420.9,582 1,584 1,585 233.329,586 1.189,587 4.536,588 0.135,589 0.008,590 0.065,591 0.037,592 0.024,593 0.015,594 0.012,595 0.008,596 0.01,597 0.008,598 0.322,599 0.33,600 1,601 1.636,602 114.482,603 -0.053,604 -0.074,605 0.036,606 -0.027,607 -0.059,608 0.013,609 0.133,610 0.025,611 -0.036,612 0.003,613 0.185,614 -0.04,615 -0.068,616 0.024,617 -0.023,618 0.038,619 -0.081,620 0.02,621 -0.068,622 -0.016,623 -0.079,624 -0.01,625 -0.089,626 -0.041,627 -0.023,628 -0.076,629 -0.042,630 -0.051,631 -0.071,632 -0.052,633 -0.044,634 -0.052,635 -0.034,636 -0.057,637 -0.046,638 -0.043,639 -0.035,640 -0.065,641 -0.076,642 -0.09,643 -0.044,644 -0.092,645 -0.029,646 -0.115,647 -0.04,648 -0.119,649 -0.006,650 -0.09,651 2.415,652 3.598,653 0.625,654 22.167,655 1.008,656 1.118,657 2.506,658 6.278,659 0.667,660 3.296,661 3.555,662 3.784,663 4.025,664 4.19,665 4.248,666 4.407,667 4.511,668 4.443,669 4.407,670 6.001,671 0.642,672 325.39,673 3.296,674 4.796,675 5.617,676 6.466,677 7.311,678 8.172,679 9.03,680 9.898,681 10.763,682 11.636,683 2.3,693 1,699 7,700 1,704 4,706 12,722 2,724 43,726 14,727 1,728 26,730 45,731 19,733 11,734 3,735 3,736 2,739 3,740 4,751 4,753 14,754 5,756 2,761 1,763 1,765 2,768 1,769 1,772 19,773 5,774 1,775 5,779 1,784 0.667,785 4,795 1,801 1,802 2,805 1,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 5,848 2,862 9.3,864 1,865 1,867 2,869 12,870 7.567,871 5.417,872 2.621,874 2.151,875 1.318,876 0.944,877 5.494,878 8.92,879 3.555,880 4.078,881 4.595,882 5.13,883 5.64,884 5.835,885 6.232,886 6.511,887 6.646,888 6.849,889 1,890 32,891 8.84,893 3.669,894 7.854,895 16.82,897 13.47,899 2.354,900 56.5,903 1,904 211.88,905 112.694,906 16.786,908 89.828,911 112.694,912 301.708,913 16.786,915 16.788,916 56.857,917 109.066,918 60.138,919 23.542,920 164.795,922 211.88,923 129.48,924 89.828,927 211.88,928 89.828,931 34.883,932 68.335,933 26.262,935 211.88,936 106.614,937 112.694,940 211.88,941 37.742,942 74.952,944 106.614,945 211.88,946 106.614,947 112.694,949 0.561,950 0.311,951 0.169,952 0.088,953 15,954 6,955 0.156,956 7,957 1,958 1.133,959 3.708,960 185.93,961 0.133,962 15,963 110.039,968 16.53,969 7.977,970 4.37,972 106.614,973 13.372,974 4.197,978 3.555,980 42.683,981 431.188,982 34,987 10.598,989 2.135,991 0.318,994 43.363,995 48.073,996 0.274,997 0.654,998 0.83,999 0.923,1000 0.957,1001 0.957,1002 4.754,1003 1.126,1004 5.557,1005 3.126,1006 4.234,1007 4.762,1008 2.639,1009 6.304,1010 4.186,1011 5.92,1012 1,1013 7.067,1014 2.529,1015 3.611,1016 4.369,1017 2.243,1018 7.111,1019 3.537,1020 7.196,1021 1,1022 8.686,1023 2.263,1024 5.746,1025 6.859,1026 3.813,1027 10.22,1028 5.654,1029 8.511,1030 0.55,1031 10.374,1032 2.136,1033 6.019,1034 7.327,1035 4.112,1036 11.942,1037 5.896,1038 9.862,1039 0.326,1040 12.11,1041 1.257,1042 7.562,1043 9.258,1044 5.279,1045 14.533,1046 7.427,1047 11.238,1048 -0.27,1049 13.878,1050 0.791,1051 8.267,1052 10.142,1053 5.889,1054 16.604,1055 8.105,1056 12.635,1057 -0.684,1058 15.67,1059 -0.609,1060 9.555,1061 11.816,1062 6.878,1063 19.018,1064 9.381,1065 3.071,1066 -0.846,1067 17.479,1068 -1.657,1069 10.471,1070 12.922,1071 7.625,1072 21.229,1073 10.275,1074 2.802,1075 10.286,1076 19.3,1077 -2,1078 11.649,1079 14.464,1080 8.536,1081 23.579,1082 11.442,1083 2.235,1084 9.046,1085 21.13,1086 4.065,1087 12.665,1088 15.692,1089 9.342,1090 25.847,1091 12.441,1092 2.15,1093 6.242,1094 22.966,1095 3.681,1096 13.798,1097 17.163,1098 10.22,1099 28.174,1100 13.563,1101 1.701,1102 5.184,1103 24.808,1104 3.001,1105 14.862,1106 18.461,1107 11.051,1108 30.468,1109 14.613,1110 1.534,1111 4.251,1112 26.654,1113 2.71,1114 15.977,1115 19.894,1116 11.913,1117 32.789,1118 15.718,1119 1.478,1120 3.843,1121 28.504,1122 2.244,1123 17.063,1124 21.232,1125 12.755,1126 35.096,1127 16.794,1128 6224,1129 11025,1130 17.682,1131 28.676,1132 38.249,1133 39.023,1134 38.549,1135 37.941,1136 37.948,1137 49.085,1138 8.528,1139 101.908,1140 36.99,1141 5.292,1142 5.596,1143 6.326,1144 5.094,1145 5.071,1146 7.065,1147 3.925,1148 17.115,1149 5.035,1150 9.332,1151 1.471,1152 1.501,1153 1.483,1154 1.459,1155 1.46,1156 1.888,1157 0.328,1158 3.92,1159 1.423,1160 4.02,1161 4.038,1162 3.975,1163 3.949,1164 7.474,1165 3.951,1166 3.829,1167 3.855,1168 3.773,1169 3.717,1170 6.351,1171 3.726,1172 3.726,1173 3.775,1174 3.601,1175 3.587,1176 5.018,1177 3.579,1178 3.485,1179 3.514,1180 3.396,1181 3.316,1182 4.895,1183 3.326,1184 3.287,1185 3.314,1186 3.173,1187 3.042,1188 4.422,1189 3.069,1190 3.075,1191 3.118,1192 2.942,1193 2.875,1194 4.144,1195 2.885,1196 2.837,1197 2.893,1198 2.694,1199 2.68,1200 3.976,1201 2.673,1202 2.796,1203 2.865,1204 2.638,1205 2.62,1206 3.864,1207 2.619,1208 0.17,1209 0.138,1210 0.251,1211 0.156,1212 0.118,1213 4.432,1214 0.156,1215 3.596,1216 0.09,1217 6.524,1218 0.396,1219 4.057,1220 0.117,1221 3.071,1222 4.065,1223 2.341,1224 10.286,1225 3.035,1226 1.963,1227 1.943,1228 2.062,1229 2.042,1230 1.326,1231 2.049,1232 1.765,1233 1.737,1234 1.939,1235 1.886,1236 1.146,1237 1.905,1238 1.716,1239 1.665,1240 1.874,1241 1.876,1242 0.935,1243 1.877,1244 1.414,1245 1.376,1246 1.635,1247 1.62,1248 0.834,1249 1.618,1250 1.162,1251 1.13,1252 1.439,1253 1.519,1254 0.579,1255 1.485,1256 1.082,1257 1.049,1258 1.3,1259 1.31,1260 0.444,1261 1.3,1262 0.794,1263 0.74,1264 1.095,1265 1.053,1266 0.207,1267 1.067,1268 0.79,1269 0.729,1270 1.081,1271 0.989,1272 0.154,1273 1.02,1274 3.97,1276 5.242,1277 2.398,1278 6.703,1279 4.595,1280 8.259,1281 6.581,1282 9.869,1289 8.718,1290 2.778,1292 10.829,1300 27.622,1301 63.908,1302 152.5,1303 193.72,1304 215.329,1305 223.329,1306 223.329,1307 37.912,1308 6.768,1309 68.65,1310 68.65,1311 17,1312 12.179,1313 3.907,1314 3.17,1315 39.103,1316 79,1317 100,1318 0.224,1319 170.205,1320 303.42,1321 407.06,1322 6706,1324 16.778,1325 0.699,1326 0.553,1327 16.778,1328 13.274,1329 11.737,1330 0.451,1331 0.306,1332 7.849,1333 11.263,1334 7.71,1335 6.393,1336 11.737,1337 7.962,1338 10.118,1339 0.298,1340 0.164,1341 10.118,1342 5.567,1343 8.01,1344 0.186,1345 0.09,1346 8.01,1347 3.849,1348 6.656,1349 0.121,1350 0.048,1351 6.656,1352 2.655,1353 5.111,1354 0.079,1355 0.027,1356 5.111,1357 1.728,1358 0.349,1359 73.894,1360 0.238,1361 23.553,1362 0.623,1363 120,1364 393.001,1365 133.123,1366 369.42,1367 494.73,1368 346,1369 137,1370 350.688,1371 148.576,1372 353.098,1373 512.03,1374 331,1375 7.387} {0 CHEMBL430965,1 1.325,2 10.273,3 3.788,4 14.346,5 87.723,6 6.371,7 0.25,8 3.909,9 4.033,10 3.337,11 3.48,12 4.871,13 3.416,14 4.513,15 4.695,16 3.671,17 3.937,18 5.454,19 3.824,20 4.865,21 5.123,22 3.575,23 4.063,24 5.583,25 3.881,26 4.858,27 5.143,28 3.546,29 4.01,30 5.56,31 3.828,32 4.79,33 5.056,34 3.531,35 3.967,36 5.589,37 3.794,38 4.752,39 5.044,40 3.352,41 3.86,42 5.505,43 3.665,44 4.586,45 4.878,46 3.119,47 3.68,48 5.279,49 3.469,50 4.445,51 4.738,52 2.985,53 3.509,54 5.153,55 3.307,56 0.048,57 0.632,58 11.147,59 5.031,60 8.241,61 6.841,62 0.196,63 1.095,64 20.596,65 8.922,66 35.479,67 12.465,68 0.208,69 1.399,70 29.331,71 11.956,72 33.223,73 17.022,74 0.218,75 1.36,76 29.123,77 11.569,78 33.126,79 16.689,80 0.2,81 1.304,82 27.297,83 10.666,84 36.003,85 15.438,86 0.209,87 1.231,88 26.271,89 9.87,90 35.637,91 14.59,92 0.162,93 1.018,94 22.121,95 8.622,96 24.756,97 12.561,98 0.167,99 0.857,100 19.333,101 7.383,102 26.407,103 10.644,104 12,105 32,106 0.23,107 0.543,108 0.765,109 0.891,110 0.913,111 0.913,112 3.146,113 1.065,114 -4.63,115 -4.55,116 -4.28,118 40.4,120 7,121 4,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 5,215 1,218 15,219 1,222 3,227 1,229 11,230 1,234 2,239 1,242 9,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 3,268 4,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 13.911,277 11.276,278 9.352,279 15.174,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.232,286 7.775,287 4.508,288 12.008,289 4.23,290 2.427,291 1.155,292 0.426,293 0.298,294 0.298,295 3.828,298 1,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 16.524,315 1,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 46.5,326 226,327 4.353,328 3.596,329 6.944,330 4.291,331 3.291,332 3.636,333 2.341,334 11.766,335 3.29,336 3.752,337 3.407,338 5.771,339 3.453,340 2.461,341 3.02,343 7.759,344 2.442,345 3.552,346 2.574,347 5.217,348 3.242,349 2.236,350 2.712,352 6.194,353 2.224,354 3.224,355 2.206,356 4.685,357 3.02,358 2.021,359 2.293,361 5.184,362 2.019,363 3.017,364 1.925,365 4.659,366 2.751,367 1.763,368 2.146,370 4.727,371 1.741,372 2.874,373 1.764,374 3.807,375 2.632,376 1.64,377 1.878,379 3.45,380 1.623,381 2.5,382 1.453,383 3.606,384 2.252,385 1.268,386 1.5,388 2.9,389 1.245,390 2.492,391 1.181,392 3.304,393 1.999,394 1,395 1.488,397 2.162,398 0.995,399 2.237,400 1,401 3.254,402 1.955,403 1,404 1.149,406 2.136,407 0.953,408 1.668,409 0.912,410 3.247,411 1.648,412 0.648,413 0.656,415 1.594,416 0.648,417 1.437,418 0.63,419 2.872,420 1.333,421 0.333,422 0.354,424 0.77,425 0.331,426 1.034,427 0.416,428 2.426,429 0.813,430 -0.185,431 -0.206,433 -0.454,434 -0.183,435 0.667,436 0.007,437 2.259,438 0.336,439 -0.661,440 -0.75,442 -1.49,443 -0.647,444 0.5,445 -0.321,446 2.104,447 0.064,448 -0.926,449 -1.108,451 -2,452 -0.893,453 0.442,454 -0.81,455 1.863,456 -0.017,457 -1,458 -1.285,460 -2.232,461 -0.973,462 10.567,463 0.48,464 0.418,465 0.019,466 21.5,467 0.977,468 8.5,469 0.386,470 13,471 0.591,472 22.08,473 1.004,474 24.833,475 0.528,476 11.884,477 0.54,478 3.478,479 0.158,480 7.276,481 0.331,482 0.063,484 0.284,487 0.736,488 1.19,489 0.949,490 1.124,491 0.66,492 1.071,493 0.422,494 1.212,495 1.045,496 1.22,497 0.347,498 1.201,499 0.701,500 1.091,501 1.061,502 1.118,503 0.699,504 1.13,505 0.622,506 0.905,507 0.882,508 0.917,509 0.614,510 0.927,511 0.708,512 1.086,513 0.997,514 1.054,515 0.668,516 1.056,517 0.651,518 0.959,519 0.974,520 0.967,521 0.525,522 0.991,523 0.602,524 1.002,525 0.979,526 1.035,527 0.56,528 1.044,529 0.836,530 0.933,531 0.951,532 0.955,533 0.862,534 0.967,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 12475,547 2.097,548 53.2,549 16,550 4,552 2,553 1,554 2,558 1.642,559 2,560 3.291,561 -0.399,563 1,567 62.259,568 1.325,569 3.127,570 4.4,571 5.129,572 5.257,573 5.257,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 261.066,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.67,600 1,601 1.936,602 102.821,603 -0.037,604 0.023,605 0.033,606 0.061,607 0.005,608 0.053,609 0.166,610 -0.082,611 -0.09,612 -0.107,613 0.211,614 -0.123,615 -0.049,616 -0.102,617 -0.121,618 -0.1,619 -0.038,620 -0.117,621 -0.003,622 0.056,623 0.053,624 0.069,625 -0.019,626 0.068,627 -0.029,628 -0.089,629 -0.05,630 -0.058,631 -0.024,632 -0.059,633 -0.029,634 0.026,635 -0.034,636 -0.011,637 0.005,638 -0.018,639 -0.005,640 -0.05,641 -0.048,642 -0.067,643 -0.007,644 -0.062,645 -0.028,646 -0.011,647 -0.001,648 0.002,649 -0.054,650 0.002,651 2.363,652 3.498,653 0.591,654 20.405,655 0.986,656 1.126,657 3.399,658 11.553,659 0.639,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.591,672 299.45,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2.1,693 1,699 4,700 1,704 1,706 6,724 47,726 8,728 24,730 49,731 19,733 5,739 3,740 4,748 3,749 4,751 7,753 8,754 11,755 4,756 2,761 1,763 2,765 1,769 1,772 25,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,822 2,830 1,832 2,840 22,845 1,846 7,850 4,862 4.3,864 1,865 1,869 11,870 7.9,871 4.944,872 3.183,874 1.431,875 1.21,876 0.919,877 5.047,878 8.23,879 3.401,880 3.818,881 4.186,882 4.636,883 5.025,884 5.069,885 5.348,886 5.578,887 5.703,888 5.797,889 0.857,890 27,891 8.186,893 3.473,894 7.644,895 16.335,897 14.264,899 2.144,900 47.167,901 0.001,903 1,904 282.506,905 77.837,906 16.786,908 67.828,911 77.837,912 350.335,913 16.786,915 17.742,916 37.905,917 109.066,918 21.28,920 258.964,922 282.506,923 94.623,924 67.828,927 282.506,928 67.828,931 35.837,932 23.048,933 35.738,935 282.506,936 84.614,937 77.837,940 282.506,941 21.837,942 56,944 84.614,945 282.506,946 84.614,947 77.837,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.143,956 7,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.429,969 7.196,970 3.665,972 84.614,973 8.199,974 4.311,978 1.416,980 42.683,981 444.957,982 29,987 10.498,989 4.464,991 -0.696,994 46.36,995 52.9,996 0.238,997 0.563,998 0.792,999 0.923,1000 0.946,1001 0.946,1002 4.63,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.5,1008 2.258,1009 6.315,1010 4.161,1011 5.75,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.999,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.355,1026 3.628,1027 10.414,1028 5.703,1029 8.278,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.595,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.507,1044 5.201,1045 15,1046 7.606,1047 10.938,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.14,1053 5.889,1054 17.262,1055 8.44,1056 12.304,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.826,1062 6.849,1063 19.8,1064 9.744,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.687,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.242,1080 8.526,1081 24.682,1082 12.01,1083 2.236,1084 7.759,1085 21.501,1086 3.636,1087 13.148,1088 14.244,1089 9.342,1090 27.121,1091 13.14,1092 2.021,1093 6.194,1094 23.403,1095 3.02,1096 14.347,1097 15.715,1098 10.216,1099 29.594,1100 14.338,1101 1.763,1102 5.184,1103 25.312,1104 2.712,1105 15.512,1106 16.809,1107 11.051,1108 32.05,1109 15.504,1110 1.64,1111 4.727,1112 27.228,1113 2.293,1114 16.704,1115 18.224,1116 11.912,1117 34.518,1118 16.695,1119 1.268,1120 3.45,1121 29.147,1122 2.146,1123 17.883,1124 19.38,1125 12.755,1126 36.98,1127 17.875,1128 5201,1129 8037,1130 16.296,1131 30.052,1132 35.628,1133 36.149,1134 36.065,1135 35.336,1136 35.322,1137 41.665,1138 4.682,1139 97.285,1140 35.022,1141 5.353,1142 5.596,1143 6.768,1144 5.327,1145 5.291,1146 6.636,1147 3.925,1148 18.961,1149 5.29,1150 8.903,1151 1.485,1152 1.506,1153 1.503,1154 1.472,1155 1.472,1156 1.736,1157 0.195,1158 4.054,1159 1.459,1160 4.077,1161 4.117,1162 3.986,1163 4.004,1164 7.474,1165 3.994,1166 3.784,1167 3.831,1168 3.701,1169 3.68,1170 6.351,1171 3.679,1172 3.747,1173 3.796,1174 3.622,1175 3.628,1176 4.897,1177 3.616,1178 3.513,1179 3.552,1180 3.403,1181 3.352,1182 4.45,1183 3.353,1184 3.205,1185 3.257,1186 3.042,1187 3.017,1188 4.28,1189 3.014,1190 3.024,1191 3.088,1192 2.869,1193 2.871,1194 3.824,1195 2.863,1196 2.868,1197 2.947,1198 2.669,1199 2.678,1200 3.814,1201 2.665,1202 2.791,1203 2.88,1204 2.619,1205 2.6,1206 3.651,1207 2.584,1208 0.181,1209 0.15,1210 0.289,1211 0.179,1212 0.137,1213 4.353,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.291,1220 0.137,1221 3.291,1222 3.636,1223 2.341,1224 11.766,1225 3.29,1226 1.928,1227 1.893,1228 2.075,1229 2.032,1230 1.484,1231 2.047,1232 1.773,1233 1.727,1234 1.967,1235 1.915,1236 1.261,1237 1.933,1238 1.666,1239 1.616,1240 1.872,1241 1.824,1242 1.224,1243 1.842,1244 1.537,1245 1.481,1246 1.774,1247 1.693,1248 1.01,1249 1.723,1250 1.437,1251 1.388,1252 1.685,1253 1.624,1254 0.897,1255 1.642,1256 1.174,1257 1.116,1258 1.452,1259 1.41,1260 0.671,1261 1.421,1262 0.953,1263 0.899,1264 1.245,1265 1.194,1266 0.454,1267 1.21,1268 0.758,1269 0.688,1270 1.062,1271 1.003,1272 0.159,1273 1.029,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.645,1290 7.183,1294 3.147,1300 27.773,1301 62.259,1302 146.987,1303 206.801,1304 241.066,1305 247.066,1306 247.066,1307 38.05,1308 6.799,1309 50.19,1310 50.19,1311 16,1312 12.332,1313 3.17,1314 2.585,1315 34.671,1316 76,1317 90,1318 0.216,1319 170.995,1320 304.66,1321 408.987,1322 7413,1324 15.364,1325 0.698,1326 0.592,1327 15.364,1328 13.026,1329 10.754,1330 0.448,1331 0.355,1332 8.475,1333 10.53,1334 8.311,1335 6.86,1336 10.754,1337 8.521,1338 9.358,1339 0.292,1340 0.213,1341 9.358,1342 6.802,1343 7.421,1344 0.177,1345 0.131,1346 7.421,1347 5.494,1348 6.423,1349 0.111,1350 0.079,1351 6.423,1352 4.584,1353 4.951,1354 0.072,1355 0.046,1356 4.951,1357 3.194,1358 0.342,1359 66.179,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 259.53,1365 117.816,1366 253.326,1367 336.99,1368 236,1369 130,1370 234.779,1371 134.157,1372 239.182,1373 343.55,1374 226,1375 7.301} {0 CHEMBL43141,1 1.718,2 7.737,3 2.75,4 7.565,5 75.484,6 8.785,7 0.714,8 3.562,9 3.65,10 3.328,11 3.206,12 4.763,13 3.165,14 4.04,15 4.177,16 3.732,17 3.619,18 5.302,19 3.547,20 4.17,21 4.304,22 3.692,23 3.702,24 5.292,25 3.58,26 4.289,27 4.463,28 3.565,29 3.664,30 5.369,31 3.513,32 4.163,33 4.371,34 3.497,35 3.496,36 5.207,37 3.376,38 4.072,39 4.263,40 3.402,41 3.332,42 5.238,43 3.247,44 3.965,45 4.207,46 2.775,47 3.037,48 5.048,49 2.915,50 3.606,51 3.861,52 2.492,53 2.612,54 4.743,55 2.513,56 0.049,57 0.436,58 5.114,59 2.862,60 7.801,61 3.089,62 0.232,63 0.732,64 10.475,65 4.803,66 31.523,67 5.334,68 0.12,69 0.807,70 14.932,71 6.524,72 15.159,73 7.031,74 0.214,75 0.887,76 20.082,77 7.778,78 31.561,79 8.17,80 0.2,81 0.782,82 17.222,83 6.352,84 25.619,85 7.327,86 0.15,87 0.698,88 14,89 5.421,90 14.119,91 6.246,92 0.258,93 0.599,94 13.56,95 4.677,96 40.923,97 5.435,98 0.264,99 0.411,100 9.267,101 3.053,102 28.492,103 3.8,104 11,105 30,106 0.32,107 0.73,108 0.853,109 0.881,110 0.881,111 0.881,112 3.011,113 0.954,114 -3.52,115 -3.5,116 -3.34,118 45.2,119 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 1,175 1,177 1,180 9,181 2,186 4,191 2,194 8,195 2,198 4,203 2,206 4,207 1,210 5,215 1,218 1,219 2,222 6,227 2,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 11.517,278 7.406,279 13.071,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 15.256,287 3.525,288 10.95,289 3.236,290 1.028,291 0.371,292 0.218,293 0.218,294 0.218,295 3.685,298 1,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 16.255,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41,326 147,327 4.638,328 3.584,329 6.704,330 4.154,331 3.198,332 4.594,333 1.437,334 10.835,335 3.062,336 4.05,337 3.288,338 5.922,339 3.677,340 2.696,341 3.55,342 0.522,343 8.225,344 2.635,345 3.904,346 2.701,347 5.583,348 3.44,349 2.51,350 3.427,352 7.379,353 2.323,354 3.457,355 2.259,356 5.231,357 2.993,358 2.035,359 2.817,361 6.218,362 1.932,363 3.125,364 1.843,365 4.78,366 2.601,367 1.684,368 2.387,370 4.99,371 1.52,372 2.766,373 1.772,374 3.803,375 2.232,376 1.249,377 1.785,379 2.928,380 1.204,381 2.573,382 1.22,383 3.591,384 2.07,385 1.134,386 1.598,388 2.58,389 1.057,390 2.175,391 0.944,392 3.368,393 1.714,394 0.761,395 1.04,397 1.912,398 0.714,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.283,409 0.472,410 2.773,411 0.899,412 -0.019,413 -0.023,415 -0.049,416 -0.017,417 0.796,418 0.186,419 2.379,420 0.364,421 -0.564,422 -0.713,424 -1.469,425 -0.508,426 0.649,427 -0.361,428 2.241,429 0.18,430 -0.819,431 -1.14,433 -2,434 -0.814,435 0.446,436 -0.749,437 2.087,438 -0.002,439 -1,440 -1.303,442 -2.496,443 -0.942,444 0.251,445 -0.917,446 1.666,447 -0.137,448 -1.065,449 -1.487,451 -2.869,452 -1.02,453 -0.118,454 -1.224,455 1.338,456 -0.505,457 -1.471,458 -1.828,460 -3.618,461 -1.39,462 9.3,463 0.489,464 0.524,465 0.028,466 25.75,467 1.355,468 13.5,469 0.711,470 12.25,471 0.645,472 13.482,473 0.71,474 19.5,475 0.629,476 15.758,477 0.829,478 5.082,479 0.267,480 4.065,481 0.214,482 0.125,484 0.366,487 0.797,488 1.119,489 0.698,490 0.826,491 0.709,492 0.804,493 0.584,494 0.694,495 0.771,496 0.669,497 0.371,498 0.7,499 0.694,500 1.158,501 1.28,502 1.324,503 0.644,504 1.206,505 0.981,506 1.176,507 1.475,508 1.37,509 0.951,510 1.256,511 0.826,512 0.957,513 0.986,514 0.991,515 0.779,516 0.909,517 0.758,518 1.317,519 0.866,520 1.265,521 0.774,522 1.185,523 1.387,524 0.892,525 0.975,526 0.824,527 1.436,528 1.022,529 1.161,530 0.709,531 0.704,532 0.576,533 1.448,534 0.837,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 10463,547 2.081,548 38.7,549 3,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.969,561 -0.249,563 1,565 1,567 53.258,568 1.718,569 3.926,570 4.583,571 4.736,572 4.736,573 4.736,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,583 1,584 1,585 153.58,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.67,600 1,601 0.868,602 81.64,603 -0.088,604 -0.099,605 0.044,606 0.056,607 -0.092,608 0.037,609 0.145,610 0.38,611 0.117,612 0.277,613 0.227,614 0.191,615 -0.052,616 -0.172,617 -0.191,618 -0.22,619 0.001,620 -0.235,621 -0.135,622 -0.204,623 -0.286,624 -0.235,625 -0.093,626 -0.244,627 -0.016,628 0.004,629 0.09,630 0.05,631 -0.009,632 0.123,633 0.096,634 -0.378,635 0.049,636 -0.34,637 0.053,638 -0.21,639 -0.24,640 0.019,641 -0.119,642 0.029,643 -0.253,644 -0.023,645 0.114,646 0.209,647 0.098,648 0.217,649 -0.158,650 0.156,651 2.552,652 4.01,653 0.737,654 13.645,655 1.011,656 1.11,657 2.29,658 5.245,659 0.722,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.687,672 272.35,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 6.5,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,724 31,726 16,727 1,728 21,730 33,731 14,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,836 1,840 19,845 1,846 1,856 1,862 6.5,864 1,865 1,869 9.833,870 5.933,871 4.111,872 1.722,874 2.886,875 1.437,876 0.988,877 3.109,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.988,893 2.992,894 7.886,895 13.223,897 10.918,899 2.386,900 45.333,901 0.001,904 129.482,905 109.309,906 18.685,908 67.828,910 31.278,911 78.031,912 197.31,913 18.685,914 8.825,915 2.106,916 37.476,917 117.684,918 19.891,919 13.875,920 125.447,922 129.482,923 96.716,924 67.828,925 31.278,927 129.482,928 67.828,931 30.496,932 49.434,933 16.786,934 31.278,935 129.482,936 86.513,937 109.309,940 129.482,941 45.342,942 65.866,944 84.614,945 129.482,946 86.513,947 109.309,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.091,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,964 1,968 12.363,969 4.779,970 2.281,971 2.151,972 84.614,973 10.751,974 4.029,977 1.701,978 2.718,979 2.01,980 42.683,981 325.304,982 29.5,987 11.01,991 -0.886,994 31.353,995 34.411,996 0.347,997 0.792,998 0.925,999 0.956,1000 0.956,1001 0.956,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 4.007,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.625,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.532,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 5.973,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.369,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 8.169,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.376,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.339,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.476,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.514,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 13.626,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 14.7,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 15.807,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 16.899,1128 3153,1129 5781,1130 13.929,1131 22.375,1132 32.326,1133 32.621,1134 32.535,1135 31.813,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 30.049,1141 5.422,1142 5.584,1143 6.318,1144 5.286,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 5.062,1150 8.916,1151 1.539,1152 1.553,1153 1.549,1154 1.515,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.431,1160 4.115,1161 4.125,1162 4.346,1163 4.133,1164 7.475,1165 4.084,1166 3.883,1167 3.943,1168 3.83,1169 3.684,1170 6.351,1171 3.712,1172 3.538,1173 3.55,1174 3.611,1175 3.447,1176 4.964,1177 3.433,1178 3.187,1179 3.211,1180 3.104,1181 3.028,1182 4.803,1183 3.005,1184 3.032,1185 3.11,1186 3.043,1187 2.843,1188 4.166,1189 2.835,1190 2.778,1191 2.858,1192 2.7,1193 2.627,1194 3.752,1195 2.598,1196 2.688,1197 2.717,1198 2.564,1199 2.499,1200 3.586,1201 2.484,1202 2.47,1203 2.569,1204 2.262,1205 2.278,1206 3.482,1207 2.263,1208 0.221,1209 0.171,1210 0.319,1211 0.198,1212 0.152,1213 4.638,1214 0.219,1215 3.584,1216 0.068,1217 6.704,1218 0.516,1219 4.154,1220 0.146,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 3.062,1226 1.943,1227 1.932,1228 2.014,1229 2.002,1230 1.193,1231 2.009,1232 1.693,1233 1.661,1234 1.8,1235 1.853,1236 1.066,1237 1.855,1238 1.399,1239 1.343,1240 1.624,1241 1.58,1242 0.722,1243 1.601,1244 1.286,1245 1.225,1246 1.472,1247 1.524,1248 0.461,1249 1.512,1250 1.17,1251 1.176,1252 1.209,1253 1.397,1254 0.314,1255 1.349,1256 0.871,1257 0.807,1258 1.15,1259 1.11,1260 0.197,1261 1.154,1262 0.803,1263 0.733,1264 1.073,1265 0.979,1266 0.174,1267 1.023,1268 0.524,1269 0.494,1270 0.73,1271 0.76,1273 0.798,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1284 2.038,1289 9.04,1290 0.771,1300 21.294,1301 53.258,1302 121.706,1303 142.07,1304 146.825,1305 146.825,1306 146.825,1307 25.511,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 135.103,1320 220.59,1321 321.412,1322 5367,1324 13.405,1325 0.706,1326 0.587,1327 13.759,1328 11.146,1329 9.148,1330 0.436,1331 0.318,1332 5.857,1333 8.379,1334 5.607,1335 4.648,1336 9.556,1337 6.676,1338 8.482,1339 0.283,1340 0.185,1341 9.124,1342 5.538,1343 7.167,1344 0.179,1345 0.111,1346 7.992,1347 4.425,1348 5.782,1349 0.111,1350 0.063,1351 6.698,1352 3.302,1353 4.286,1354 0.07,1355 0.037,1356 5.129,1357 2.274,1358 0.399,1359 61.237,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 312.036,1365 135.576,1366 324.562,1367 438.83,1368 302,1369 121,1370 302.339,1371 152.175,1372 325.019,1373 473.6,1374 304,1375 7.77} {0 CHEMBL432014,1 1.339,2 9.087,3 4.513,4 20.367,5 92.783,6 6.727,7 0.5,8 3.87,9 3.99,10 3.331,11 3.457,12 4.972,13 3.399,14 4.379,15 4.558,16 3.641,17 3.834,18 5.465,19 3.743,20 4.676,21 4.886,22 3.704,23 3.992,24 5.678,25 3.868,26 4.839,27 5.092,28 3.562,29 3.966,30 5.813,31 3.816,32 4.7,33 4.953,34 3.561,35 3.938,36 5.578,37 3.787,38 4.72,39 4.981,40 3.486,41 3.908,42 5.616,43 3.743,44 4.613,45 4.886,46 3.357,47 3.791,48 5.436,49 3.619,50 4.463,51 4.72,52 3.373,53 3.695,54 5.352,55 3.554,56 0.042,57 0.586,58 10.057,59 4.639,60 9.523,61 6.181,62 0.185,63 0.945,64 17.397,65 7.576,66 40.617,67 10.436,68 0.121,69 1.216,70 23.851,71 10.138,72 29.005,73 13.957,74 0.377,75 1.314,76 29.796,77 11.033,78 74.386,79 15.042,80 0.179,81 1.221,82 24.939,83 10.168,84 36.839,85 14.33,86 0.203,87 1.245,88 25.643,89 10.036,90 43.318,91 14.305,92 0.168,93 1.114,94 23.015,95 9.091,96 32.208,97 13.057,98 0.119,99 0.96,100 19.596,101 7.951,102 20.981,103 11.26,104 23,105 32,106 0.232,107 0.565,108 0.735,109 0.816,110 0.837,111 0.837,112 3.188,113 0.987,114 -4.62,115 -4.54,116 -4.27,118 43.5,119 2,120 3,122 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 20,181 3,186 5,191 3,194 19,195 1,198 3,203 1,206 18,207 1,210 4,215 1,218 17,219 1,222 4,227 1,229 14,230 1,234 3,239 1,242 12,243 2,247 3,252 2,255 10,256 3,259 5,260 1,264 3,267 7,268 3,270 833,271 15.181,272 15.181,273 15.181,274 15.181,275 15.181,276 13.352,277 7.993,278 9.226,279 15.251,280 11.827,281 11.827,282 11.827,283 11.827,284 11.827,285 9.223,286 7.648,287 4.334,288 11.926,289 4.184,290 2.258,291 1.275,292 0.805,293 0.685,294 0.685,295 3.848,299 1,300 1,301 427,302 4.123,306 174.797,313 1.221,314 17.991,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 209,327 4.407,328 3.979,329 7.206,330 4.332,331 3.331,332 3.943,333 2.341,334 11.924,335 3.327,336 4.368,337 3.024,338 6.498,339 4.004,340 3.006,341 3.522,343 10.173,344 3.001,345 3.736,346 2.577,347 5.247,348 3.27,349 2.278,350 3.298,352 6.4,353 2.259,354 3.278,355 2.278,356 4.407,357 2.792,358 1.802,359 2.58,361 4.063,362 1.782,363 2.872,364 1.94,365 4.211,366 2.567,367 1.57,368 1.908,370 3.506,371 1.555,372 2.781,373 1.578,374 3.59,375 2.324,376 1.318,377 1.856,379 2.913,380 1.309,381 2.669,382 1.317,383 3.555,384 2.299,385 1.317,386 1.645,388 2.88,389 1.289,390 2.5,391 1,392 3.272,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.956,403 1,404 1.5,406 2.136,407 0.954,408 2.173,409 0.889,410 3.247,411 1.806,412 0.809,413 1.046,415 1.94,416 0.805,417 1.246,418 0.46,419 2.849,420 1.135,421 0.138,422 0.15,424 0.326,425 0.137,426 0.719,427 0.294,428 2.244,429 0.318,430 -0.678,431 -0.784,433 -1.547,434 -0.668,435 0.691,436 -0.655,437 2.198,438 0.273,439 -0.705,440 -0.952,442 -1.601,443 -0.693,444 0.5,445 -0.705,446 2,448 -1,449 -1,451 -2,452 -0.961,453 0.5,454 -0.961,455 2,457 -1,458 -1.284,460 -2.347,461 -0.973,462 11.067,463 0.481,464 0.581,465 0.025,466 28,467 1.217,468 15,469 0.652,470 13,471 0.565,472 19.592,473 0.852,474 24.933,475 0.542,476 19.293,477 0.839,478 5.388,479 0.234,480 5.617,481 0.244,482 0.151,483 0.045,484 0.181,487 0.75,488 1.132,489 0.913,490 1.064,491 0.74,492 1.017,493 0.438,494 1.029,495 0.89,496 1.019,497 0.411,498 1.002,499 0.722,500 1.208,501 1.027,502 1.219,503 0.729,504 1.167,505 1.623,506 0.826,507 1.123,508 0.838,509 1.69,510 0.92,511 0.706,512 0.995,513 0.945,514 0.981,515 0.713,516 0.99,517 0.788,518 1.019,519 1.024,520 1.008,521 0.738,522 1.033,523 0.631,524 0.962,525 0.949,526 0.969,527 0.596,528 0.985,529 0.588,530 0.952,531 0.852,532 0.97,533 0.563,534 0.94,535 4.5,536 0.124,537 2.889,538 1.25,539 0.622,540 0.306,541 0.281,542 0.385,543 0.362,544 0.229,545 5260,546 13768,547 1.961,548 50,549 12,550 8,552 2,553 1,558 1.66,559 1.828,560 3.167,561 -0.412,567 61.603,568 1.339,569 3.265,570 4.248,571 4.719,572 4.839,573 4.839,574 2.436,575 3.48,576 4.497,577 3.356,578 849.014,579 7.755,580 10096.9,582 1,585 254.084,586 1.51,587 4.439,588 0.188,589 0.009,590 0.09,591 0.039,592 0.023,593 0.011,594 0.011,595 0.018,596 0.016,597 0.01,598 0.415,599 0.5,600 1,601 1.816,602 108.341,603 -0.042,604 -0.004,605 0.01,606 0.033,607 -0.066,608 0.026,609 0.21,610 0.045,611 0.04,612 0.032,613 0.214,614 0.022,615 0.013,616 -0.197,617 -0.086,618 -0.195,619 0.033,620 -0.158,621 -0.231,622 0.111,623 -0.104,624 0.122,625 -0.245,626 0.034,627 -0.024,628 -0.016,629 0.002,630 0.014,631 -0.04,632 0.01,633 -0.057,634 -0.03,635 -0.068,636 -0.035,637 -0.05,638 -0.05,639 -0.012,640 0.017,641 -0.001,642 0.004,643 -0.027,644 0.005,645 0.05,646 0.033,647 0.095,648 0.02,649 0.05,650 0.059,651 2.406,652 4.168,653 0.522,654 18.749,655 0.989,656 1.119,657 3.387,658 11.469,659 0.658,660 3.219,661 3.497,662 3.664,663 3.738,664 3.892,665 3.784,666 3.892,667 3.97,668 3.892,669 3.714,670 5.86,671 0.614,672 309.44,673 3.219,674 4.727,675 5.533,676 6.375,677 7.204,678 8.049,679 8.885,680 9.732,681 10.571,682 11.419,683 2.2,693 1,699 9,700 1,704 2,706 12,724 46,726 14,727 1,728 24,730 47,731 20,733 11,734 1,735 5,736 2,739 2,740 2,745 2,746 1,751 3,753 14,754 6,756 2,761 1,763 1,765 2,769 1,772 23,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 23,845 1,846 3,852 1,862 4.3,864 1,865 1,869 12.583,870 8.65,871 5.181,872 2.787,874 2.037,875 1.328,876 0.907,877 5.839,878 8.255,879 3.497,880 4.007,881 4.483,882 4.914,883 5.402,884 5.407,885 5.796,886 6.048,887 6.2,888 6.3,889 0.833,890 32,891 8.496,893 3.469,894 7.779,895 16.291,897 12.963,899 2.279,900 52.417,903 1,904 258.964,905 129.625,906 16.786,908 67.828,911 129.625,912 326.793,913 16.786,914 17.65,915 7.604,916 75.81,917 109.066,918 27.652,920 235.422,922 258.964,923 146.411,924 67.828,927 258.964,928 67.828,931 43.349,932 76.8,933 26.262,935 258.964,936 84.614,937 129.625,940 258.964,941 18.07,942 111.555,944 84.614,945 258.964,946 84.614,947 129.625,949 0.574,950 0.327,951 0.149,952 0.078,953 13,954 6,955 0.149,956 7,958 1,959 3.482,960 167.766,962 12,963 96.042,968 17.113,969 7.847,970 4.87,972 84.614,973 17.814,974 4.203,978 2.231,980 42.683,981 473.203,982 32,987 11.168,989 2.185,991 0.406,994 45.476,995 51.484,996 0.242,997 0.591,998 0.769,999 0.854,1000 0.876,1001 0.876,1002 4.7,1003 1,1004 5.533,1005 2.88,1006 4.174,1007 4.691,1008 2.258,1009 6.34,1010 4.161,1011 5.899,1012 1,1013 7.109,1014 2.136,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.887,1020 7.197,1021 0.809,1022 8.818,1023 2.136,1024 5.82,1025 6.775,1026 3.628,1027 10.589,1028 5.804,1029 8.538,1030 0.138,1031 10.612,1032 1.94,1033 6.415,1034 7.211,1035 4.112,1036 12.691,1037 6.409,1038 9.914,1039 -0.678,1040 12.46,1041 0.326,1042 7.855,1043 9.145,1044 5.201,1045 15.272,1046 7.84,1047 11.317,1048 -0.705,1049 14.342,1050 -1.547,1051 8.805,1052 9.962,1053 5.889,1054 17.613,1055 8.796,1056 12.738,1057 -1,1058 16.246,1059 -1.601,1060 10.073,1061 11.648,1062 6.849,1063 20.098,1064 10.06,1065 3.331,1066 -1,1067 18.165,1068 -2,1069 11.163,1070 12.675,1071 7.625,1072 22.515,1073 11.153,1074 3.006,1075 11.924,1076 20.094,1077 -2.347,1078 12.373,1079 14.223,1080 8.526,1081 24.978,1082 12.359,1083 2.278,1084 10.173,1085 22.031,1086 3.943,1087 13.518,1088 15.376,1089 9.342,1090 27.423,1091 13.505,1092 1.802,1093 6.4,1094 23.974,1095 3.522,1096 14.709,1097 16.845,1098 10.216,1099 29.883,1100 14.694,1101 1.57,1102 4.063,1103 25.921,1104 3.298,1105 15.878,1106 18.076,1107 11.051,1108 32.34,1109 15.863,1110 1.318,1111 3.506,1112 27.871,1113 2.58,1114 17.064,1115 19.498,1116 11.912,1117 34.803,1118 17.048,1119 1.317,1120 2.913,1121 29.824,1122 1.908,1123 18.244,1124 20.778,1125 12.755,1126 37.266,1127 18.227,1128 5374,1129 8756,1130 15.485,1131 30.29,1132 35.901,1133 36.052,1134 35.992,1135 35.154,1136 35.14,1137 45.896,1138 4.682,1139 96.791,1140 34.836,1141 5.279,1142 5.979,1143 7.008,1144 5.367,1145 5.331,1146 6.943,1147 3.925,1148 18.658,1149 5.327,1150 12.177,1151 1.496,1152 1.502,1153 1.5,1154 1.465,1155 1.464,1156 1.912,1157 0.195,1158 4.033,1159 1.452,1160 3.999,1161 4.029,1162 3.941,1163 3.944,1164 7.473,1165 3.939,1166 3.819,1167 3.858,1168 3.718,1169 3.714,1170 6.351,1171 3.708,1172 3.787,1173 3.827,1174 3.713,1175 3.689,1176 4.924,1177 3.687,1178 3.515,1179 3.57,1180 3.387,1181 3.39,1182 4.74,1183 3.381,1184 3.152,1185 3.204,1186 3.036,1187 3.022,1188 4.28,1189 3.011,1190 3.027,1191 3.047,1192 2.857,1193 2.735,1194 4.14,1195 2.715,1196 2.874,1197 3.009,1198 2.687,1199 2.637,1200 3.811,1201 2.702,1202 2.854,1203 2.925,1204 2.629,1205 2.63,1206 3.722,1207 2.616,1208 0.184,1209 0.166,1210 0.3,1211 0.18,1212 0.139,1213 4.407,1214 0.164,1215 3.979,1216 0.098,1217 7.206,1218 0.497,1219 4.332,1220 0.139,1221 3.331,1222 3.943,1223 2.341,1224 11.924,1225 3.327,1226 1.976,1227 1.951,1228 2.087,1229 2.052,1230 1.361,1231 2.065,1232 1.809,1233 1.768,1234 2.007,1235 1.955,1236 1.172,1237 1.972,1238 1.778,1239 1.741,1240 1.91,1241 1.893,1242 0.984,1243 1.902,1244 1.519,1245 1.466,1246 1.768,1247 1.69,1248 0.917,1249 1.717,1250 1.159,1251 1.102,1252 1.419,1253 1.323,1254 0.57,1255 1.357,1256 0.934,1257 0.821,1258 1.417,1259 1.275,1260 0.469,1261 1.308,1262 0.886,1263 0.817,1264 1.181,1265 1.239,1266 0.319,1267 1.206,1268 0.837,1269 0.804,1270 1.159,1271 1.062,1272 0.218,1273 1.107,1274 3.892,1276 5.176,1278 6.661,1280 8.226,1282 9.829,1284 3.552,1289 9.182,1290 2.347,1296 -0.672,1300 28.246,1301 61.603,1302 150.194,1303 195.413,1304 217.064,1305 222.574,1306 222.574,1307 49.515,1308 6.219,1309 50.19,1310 50.19,1311 12,1312 11.98,1313 3.907,1314 3.17,1315 45.144,1316 77,1317 73,1318 0.273,1319 179.198,1320 315.5,1321 429.003,1322 3192,1324 16.709,1325 0.726,1326 0.596,1327 16.709,1328 13.697,1329 11.005,1330 0.459,1331 0.329,1332 7.853,1333 10.793,1334 7.548,1335 6.375,1336 11.005,1337 7.899,1338 9.849,1339 0.308,1340 0.197,1341 9.849,1342 6.307,1343 7.682,1344 0.202,1345 0.105,1346 7.682,1347 3.991,1348 5.23,1349 0.128,1350 0.059,1351 5.23,1352 2.439,1353 4.14,1354 0.086,1355 0.033,1356 4.14,1357 1.596,1358 0.427,1359 67.684,1360 0.254,1361 22.679,1362 0.753,1363 112,1364 293.53,1365 117.816,1366 291.67,1367 388.99,1368 270,1369 126,1370 274.779,1371 131.485,1372 285.323,1373 405.5,1374 266,1375 7.678} {0 CHEMBL43218,1 1.829,2 7.737,3 2.454,4 6.024,5 71.622,6 11.469,7 0.714,8 3.498,9 3.568,10 3.421,11 3.086,12 4.77,13 3.102,14 3.965,15 4.068,16 3.86,17 3.479,18 5.331,19 3.478,20 4.12,21 4.238,22 4.064,23 3.558,24 5.364,25 3.503,26 4.153,27 4.31,28 3.892,29 3.465,30 5.361,31 3.388,32 3.901,33 4.025,34 3.928,35 3.327,36 5.179,37 3.263,38 3.849,39 3.982,40 3.99,41 3.184,42 5.305,43 3.123,44 3.456,45 3.623,46 2.747,47 2.819,48 4.563,49 2.73,50 3.45,51 3.658,52 2.488,53 2.546,54 4.69,55 2.479,56 0.13,57 0.383,58 1.037,59 2.286,60 10.686,61 2.058,62 0.316,63 0.623,64 3.16,65 3.685,66 32.108,67 3.332,68 0.392,69 0.651,70 7.21,71 5.336,72 21.531,73 4.826,74 0.459,75 0.652,76 25.127,77 6.276,78 42.982,79 5.746,80 0.341,81 0.499,82 11.831,83 4.763,84 31.162,85 4.262,86 0.487,87 0.475,88 25.977,89 4.875,90 37.508,91 4.159,92 0.161,93 0.353,94 12.538,95 2.973,96 12,97 3.1,98 0.287,99 0.351,100 5.334,101 2.441,102 26.734,103 2.619,104 11,105 30,106 0.347,107 0.762,108 0.867,109 0.899,110 0.899,111 0.899,112 3.011,113 0.906,114 -3.13,115 -3.12,116 -3,117 1,118 46.4,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 5,181 2,185 1,186 5,191 2,194 3,195 2,198 5,203 2,206 2,209 1,210 2,211 1,218 1,219 1,221 1,222 5,225 1,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 10.949,278 7.406,279 13.006,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 14.281,287 3.525,288 10.876,289 2.978,290 0.795,291 0.241,292 0.071,293 0.071,294 0.071,295 3.685,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 21.697,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 41.75,326 147,327 4.638,328 3.588,329 6.704,330 4.164,331 3.198,332 4.594,333 1.437,334 10.835,335 3.079,336 4.05,337 3.393,338 5.922,339 3.68,340 2.696,341 3.55,342 0.522,343 8.225,344 2.638,345 3.904,346 2.707,347 5.583,348 3.443,349 2.51,350 3.427,352 7.379,353 2.339,354 3.457,355 2.348,356 5.231,357 2.993,358 2.035,359 2.817,361 6.218,362 1.922,363 3.125,364 1.965,365 4.78,366 2.646,367 1.684,368 2.387,370 4.99,371 1.581,372 2.766,373 1.784,374 3.803,375 2.244,376 1.249,377 1.785,379 2.928,380 1.225,381 2.573,382 1.248,383 3.591,384 2.065,385 1.134,386 1.598,388 2.58,389 1.044,390 2.175,391 1.092,392 3.368,393 1.657,394 0.761,395 1.04,397 1.912,398 0.593,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.283,409 0.481,410 2.773,411 0.9,412 -0.019,413 -0.023,415 -0.049,416 -0.015,417 0.796,418 0.222,419 2.379,420 0.361,421 -0.564,422 -0.713,424 -1.469,425 -0.419,426 0.649,427 -0.245,428 2.241,429 0.143,430 -0.819,431 -1.14,433 -2,434 -0.738,435 0.446,436 -0.701,437 2.087,438 -0.007,439 -1,440 -1.303,442 -2.496,443 -0.926,444 0.251,445 -0.905,446 1.666,447 -0.192,448 -1.065,449 -1.487,451 -2.869,452 -0.993,453 -0.118,454 -1.174,455 1.338,456 -0.597,457 -1.471,458 -1.828,460 -3.618,461 -1.288,462 9.633,463 0.507,464 0.524,465 0.028,466 26.25,467 1.382,468 13.5,469 0.711,470 12.75,471 0.671,472 13.476,473 0.709,474 19.167,475 0.685,476 15.764,477 0.83,478 5.212,479 0.274,480 3.936,481 0.207,482 0.208,484 0.353,487 0.856,488 1.245,489 0.461,490 0.751,491 0.735,492 0.733,493 0.774,494 0.854,495 0.571,496 0.67,497 0.442,498 0.722,499 0.946,500 0.994,501 0.903,502 1,503 0.739,504 1.061,505 1.196,506 0.997,507 1.442,508 1.204,509 1.105,510 1.124,511 1.166,512 0.982,513 1.422,514 1.021,515 1.045,516 0.924,517 0.672,518 1.077,519 2.117,520 1.599,521 0.72,522 1.175,523 0.716,524 1.263,525 1.132,526 1.327,527 0.629,528 1.389,529 0.97,530 0.913,531 0.209,532 0.663,533 1.559,534 1.069,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 12215,547 2.081,548 32.1,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.969,561 -0.198,563 1,565 1,567 51.216,568 1.829,569 4.012,570 4.566,571 4.736,572 4.736,573 4.736,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,584 1,585 134.606,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.5,600 1,601 0.868,602 81.64,603 -0.129,604 -0.207,605 -0.006,606 -0.029,607 -0.114,608 0.001,609 0.019,610 0.233,611 0.001,612 0.1,613 0.179,614 0.059,615 -0.042,616 -0.063,617 0.026,618 -0.052,619 -0.03,620 -0.131,621 -0.202,622 -0.09,623 -0.128,624 -0.098,625 -0.154,626 -0.071,627 -0.128,628 -0.077,629 -0.027,630 0.104,631 -0.115,632 0.079,633 0.38,634 -0.134,635 -0.103,636 -0.287,637 0.27,638 -0.112,639 -0.075,640 -0.309,641 -0.219,642 -0.385,643 -0.06,644 -0.371,645 0.017,646 0.101,647 0.027,648 0.079,649 -0.269,650 -0.069,651 2.619,652 3.961,653 0.737,654 13.645,655 1.034,656 1.112,657 1.899,658 3.608,659 0.742,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.726,672 321.14,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 7.1,691 1,693 1,698 2,699 6,700 1,702 1,704 3,705 1,706 15,714 1,723 1,724 28,726 16,727 1,728 21,729 1,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,771 1,772 9,773 4,774 1,775 6,776 1,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,835 1,840 19,845 1,846 1,861 1,862 10.7,864 1,865 1,867 1,869 9.833,870 5.076,871 4.111,872 1.508,874 2.886,875 1.437,876 0.988,877 3.166,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.971,893 3.01,894 8.013,895 12.915,897 10.521,899 2.513,900 47.75,904 94.169,905 77.256,906 64.639,908 77.336,911 123.211,912 171.504,913 18.685,915 2.106,916 37.476,917 117.684,918 29.268,919 22.056,920 58.856,921 45.954,922 94.169,923 95.941,924 77.336,926 45.954,927 94.169,928 77.336,931 21.671,932 57.485,933 16.786,934 45.954,935 94.169,936 96.02,937 123.211,940 94.169,941 22.114,942 57.041,943 45.954,944 94.121,945 94.169,946 96.02,947 123.211,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.1,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,968 12.449,969 4.831,970 2.312,971 1.419,972 94.121,973 10.023,974 3.968,976 5.718,978 1.748,979 1.876,980 42.683,981 313.4,982 29.5,987 10.961,991 -0.953,994 28.949,995 31.127,996 0.38,997 0.835,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 4.019,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.609,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.563,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 5.976,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.407,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 8.191,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.42,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.376,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.527,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.565,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 13.687,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 14.764,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 15.878,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 16.974,1128 3153,1129 6243,1130 13.929,1131 20.773,1132 32.326,1133 32.903,1134 32.535,1135 31.919,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 29.995,1141 5.422,1142 5.588,1143 6.318,1144 5.213,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 5.079,1150 8.916,1151 1.539,1152 1.567,1153 1.549,1154 1.52,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.428,1160 4.123,1161 4.13,1162 6.881,1163 4.04,1164 7.475,1165 4.045,1166 3.883,1167 3.943,1168 4.032,1169 3.683,1170 6.351,1171 3.712,1172 3.522,1173 3.516,1174 3.827,1175 3.387,1176 5.118,1177 3.391,1178 3.139,1179 3.157,1180 3.448,1181 2.936,1182 4.932,1183 2.956,1184 2.91,1185 2.971,1186 3.025,1187 2.78,1188 4.299,1189 2.764,1190 2.718,1191 2.751,1192 2.723,1193 2.424,1194 3.884,1195 2.454,1196 2.47,1197 2.569,1198 2.596,1199 2.277,1200 3.634,1201 2.263,1202 2.246,1203 2.292,1204 2.262,1205 2.273,1206 3.348,1207 2.152,1208 0.221,1209 0.171,1210 0.319,1211 0.198,1212 0.152,1213 4.638,1214 0.219,1215 3.588,1216 0.068,1217 6.704,1218 0.516,1219 4.164,1220 0.147,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 3.079,1226 1.929,1227 1.919,1228 1.99,1229 2.005,1230 1.154,1231 2,1232 1.654,1233 1.612,1234 1.784,1235 1.872,1236 0.993,1237 1.852,1238 1.325,1239 1.279,1240 1.488,1241 1.528,1242 0.508,1243 1.52,1244 1.219,1245 1.18,1246 1.302,1247 1.468,1248 0.359,1249 1.404,1250 1.146,1251 1.154,1252 1.196,1253 1.393,1254 0.193,1255 1.35,1256 0.818,1257 0.761,1258 1.102,1259 1.021,1260 0.175,1261 1.052,1262 0.512,1263 0.492,1264 0.774,1265 0.861,1267 0.846,1268 0.383,1269 0.306,1270 0.637,1271 0.645,1273 0.687,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1283 3.46,1289 8.991,1290 0.539,1300 20.32,1301 51.216,1302 112.341,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 27.485,1308 6.603,1309 68.26,1310 68.26,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 130.29,1320 212.85,1321 309.668,1322 5367,1323 3.6,1324 13.405,1325 0.706,1326 0.594,1327 14.405,1328 11.293,1329 9.148,1330 0.436,1331 0.302,1332 5.495,1333 8.212,1334 5.36,1335 4.401,1336 9.725,1337 6.342,1338 8.482,1339 0.283,1340 0.163,1341 9.149,1342 4.883,1343 7.167,1344 0.179,1345 0.092,1346 8.066,1347 3.696,1348 5.782,1349 0.111,1350 0.046,1351 6.463,1352 2.415,1353 4.286,1354 0.07,1355 0.027,1356 5.003,1357 1.629,1358 0.399,1359 66.342,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 359.565,1365 180.031,1366 378.142,1367 497.87,1368 350,1369 121,1370 336.602,1371 174.667,1372 350.602,1373 513.62,1374 328,1375 7.523} {0 CHEMBL432958,1 1.779,2 13.059,3 3.207,4 10.282,5 126.615,6 8.214,7 0.568,8 4.186,9 4.286,10 3.947,11 3.742,12 5.323,13 3.717,14 4.727,15 4.882,16 4.254,17 4.135,18 6.075,19 4.095,20 4.966,21 5.148,22 4.258,23 4.285,24 6.114,25 4.205,26 5.083,27 5.279,28 4.215,29 4.318,30 6.201,31 4.223,32 5.095,33 5.316,34 4.252,35 4.308,36 6.145,37 4.21,38 5.126,39 5.353,40 4.296,41 4.318,42 6.335,43 4.211,44 5.097,45 5.338,46 4.215,47 4.272,48 6.145,49 4.166,50 5.045,51 5.268,52 4.165,53 4.204,54 6.187,55 4.114,56 0.157,57 0.962,58 13.366,59 5.7,60 25.593,61 6.47,62 0.578,63 1.536,64 22.994,65 9.292,66 81.788,67 11.197,68 0.611,69 1.849,70 34.329,71 12.91,72 83.039,73 14.902,74 0.753,75 1.94,76 39.089,77 13.921,78 111.976,79 16.801,80 0.707,81 1.922,82 38.043,83 13.899,84 92.219,85 18.141,86 0.924,87 2.019,88 39.208,89 14.136,90 135.627,91 18.56,92 0.701,93 1.907,94 42.992,95 14.188,96 84.456,97 18.064,98 0.798,99 1.783,100 40.686,101 13.403,102 112.547,103 16.677,104 40,105 53,106 0.285,107 0.641,108 0.811,109 0.876,110 0.876,111 0.876,112 3.561,113 0.994,114 -3.58,115 -3.55,116 -3.39,118 40.7,119 1,120 2,124 3,140 7,141 3,142 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 9,169 1,171 2,172 6,175 3,177 1,180 11,181 1,186 8,189 1,191 3,194 11,195 1,197 1,198 9,203 3,206 6,207 2,209 2,210 6,215 6,218 3,219 2,221 1,222 9,227 4,229 1,230 1,234 14,235 1,237 1,239 2,242 1,246 1,247 6,248 1,250 1,252 1,255 8,256 1,258 3,259 4,262 2,264 2,267 12,270 2312,271 22.455,272 22.455,273 22.455,274 22.455,275 22.455,276 19.385,277 21.403,278 13.113,279 22.976,280 18.244,281 18.244,282 18.244,283 18.244,284 18.244,285 13.539,286 20.055,287 6.237,288 19.128,289 4.104,290 1.881,291 0.82,292 0.42,293 0.42,294 0.42,295 4.25,300 1,301 946,302 4.416,305 173.248,306 219.843,309 151.987,313 1.889,314 49.125,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 75.5,326 444,327 4.845,328 4.683,329 7.293,330 4.31,331 3.377,332 4.727,333 2.341,334 12.404,335 3.238,336 4.757,337 3.6,338 7.016,339 4.286,340 3.334,341 4.696,342 0.522,343 11.975,344 3.063,345 3.941,346 3.46,347 5.764,348 3.532,349 2.57,350 3.496,352 7.748,353 2.507,354 3.85,355 2.875,356 5.683,357 3.454,358 2.505,359 3.393,361 7.54,362 2.338,363 3.834,364 2.737,365 5.265,366 3.351,367 2.4,368 3.321,370 6.461,371 2.272,372 3.531,373 2.669,374 5.209,375 3.171,376 2.173,377 2.842,379 6.32,380 2.145,381 3.471,382 2.233,383 5.148,384 3.046,385 2.087,386 2.714,388 6.164,389 1.993,390 3.254,391 2.097,392 4.732,393 2.862,394 1.875,395 2.505,397 5.01,398 1.842,399 3.082,400 1.897,401 4.604,402 2.609,403 1.651,404 2.29,406 4.763,407 1.564,408 2.641,409 1.455,410 3.894,411 2.235,412 1.263,413 1.694,415 3.035,416 1.225,417 2.512,418 1.315,419 3.664,420 2.164,421 1.229,422 1.509,424 2.758,425 1.146,426 2.5,427 1.12,428 3.424,429 2,430 1,431 1.5,433 2.275,434 1,435 2.192,436 1,437 3.414,438 1.845,439 0.878,440 1.117,442 2.111,443 0.846,444 2.118,445 0.969,446 3.181,447 1.59,448 0.618,449 0.927,451 1.372,452 0.586,453 1.818,454 0.758,455 3.052,456 1.553,457 0.592,458 0.683,460 1.371,461 0.577,462 16.052,463 0.472,464 1.016,465 0.03,466 44.5,467 1.309,468 22.5,469 0.662,470 22,471 0.647,472 30.026,473 0.883,474 37.348,475 0.633,476 37.814,477 1.112,478 8.838,479 0.26,480 7.404,481 0.218,482 0.132,483 0.052,484 0.299,486 1,487 0.614,488 1.273,489 0.785,490 1.215,491 0.635,492 0.959,493 0.597,494 0.994,495 0.832,496 0.928,497 0.463,498 0.908,499 0.979,500 1.021,501 1.178,502 1.109,503 0.897,504 1.066,505 0.994,506 1.008,507 1.188,508 1.143,509 0.977,510 1.165,511 0.647,512 0.948,513 0.794,514 0.968,515 0.677,516 1.04,517 0.582,518 0.93,519 0.833,520 0.964,521 0.485,522 1.05,523 0.749,524 0.839,525 1.004,526 0.986,527 0.621,528 0.939,529 0.922,530 0.924,531 1.042,532 1.035,533 0.965,534 0.985,535 8,536 0.303,537 4.444,538 3.021,539 1.756,540 1.448,541 0.885,542 0.777,543 0.481,544 0.357,545 16437,546 55332,547 2.035,548 42.4,549 2,550 13,551 1,552 2,553 2,554 5,558 1.764,559 1.88,560 3.628,561 0.235,563 1,567 104.94,568 1.779,569 4.002,570 5.062,571 5.463,572 5.463,573 5.463,574 3.089,575 4.676,576 5.053,577 3.822,578 2143.87,579 8.888,580 33088.7,585 347.076,586 1.611,587 4.999,588 0.216,589 0.008,590 0.084,591 0.058,592 0.036,593 0.029,594 0.018,595 0.016,596 0.01,597 0.009,598 0.484,599 0.33,600 0.88,601 1.04,602 182.404,603 0.007,604 -0.171,605 0.167,606 -0.073,607 -0.093,608 0.015,609 0.153,610 0.049,611 0.046,612 0.061,613 0.208,614 0.037,615 -0.139,616 0.006,617 -0.163,618 -0.044,619 -0.075,620 -0.074,621 -0.149,622 -0.076,623 -0.222,624 -0.138,625 -0.116,626 -0.176,627 0.029,628 -0.12,629 0.065,630 -0.045,631 -0.022,632 -0.033,633 0.15,634 -0.025,635 0.075,636 -0.026,637 0.171,638 -0.049,639 -0.033,640 0.039,641 0.036,642 0.02,643 0.028,644 0.08,645 -0.04,646 -0.032,647 -0.017,648 -0.031,649 -0.058,650 0.023,651 4.684,652 5.57,653 0.588,654 41.529,655 1.017,656 1.13,657 2.35,658 5.525,659 0.675,660 3.638,661 3.989,662 4.234,663 4.489,664 4.7,665 4.844,666 5.004,667 5.136,668 5.198,669 5.278,670 7.63,671 0.649,672 484.6,673 3.638,674 5.198,675 6.047,676 6.938,677 7.813,678 8.712,679 9.6,680 10.506,681 11.402,682 12.312,683 6.8,685 1,691 2,693 1,698 2,699 10,700 1,704 5,705 2,706 21,723 1,724 59,726 24,727 2,728 37,730 62,731 24,733 17,734 5,735 7,739 4,740 5,745 1,751 2,753 18,754 6,756 3,760 1,761 3,765 1,770 1,772 25,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,818 1,830 1,832 3,834 1,836 1,838 1,840 34,844 1,845 1,846 5,847 1,861 1,862 6.8,864 1,865 3,869 18.083,870 10.693,871 7.347,872 3.382,874 3.39,875 1.431,876 0.987,877 7.173,878 11.251,879 3.942,880 4.605,881 5.15,882 5.74,883 6.227,884 6.596,885 7.007,886 7.375,887 7.589,888 7.869,889 0.889,890 52,891 12.875,893 5.826,894 8.096,895 23.622,897 19.685,899 2.596,900 88.25,904 270.735,905 144.493,906 36.989,908 112.141,909 14.96,910 5.807,911 138.685,912 382.877,913 51.949,914 8.825,915 11.386,916 97.594,917 161.997,918 32.461,919 31.632,920 235.422,922 270.735,923 175.674,924 127.101,925 5.807,927 285.695,928 112.141,931 58.081,932 100.808,933 22.593,935 285.695,936 149.13,937 144.493,939 5.807,940 270.735,941 36.813,942 105.671,943 16.405,944 143.887,945 270.735,946 164.09,947 144.493,949 0.589,950 0.33,951 0.169,952 0.093,953 25,954 12,955 0.161,956 10,957 1,958 1.1,959 4.411,960 317.172,961 0.1,962 20,963 166.974,967 1,968 24.148,969 10.1,970 5.579,971 1.933,972 160.292,973 15.863,974 4.103,978 2.482,979 4.003,980 59.088,981 579.318,982 50.5,986 -3.768,987 36.141,991 -0.846,994 60.025,995 66.658,996 0.302,997 0.68,998 0.861,999 0.929,1000 0.929,1001 0.929,1002 5.189,1003 1.875,1004 6.071,1005 6.164,1006 4.673,1007 5.293,1008 2.313,1009 6.927,1010 4.582,1011 6.442,1012 1.651,1013 7.666,1014 5.01,1015 4.443,1016 5.394,1017 2.243,1018 8.109,1019 4.267,1020 7.798,1021 1.263,1022 9.375,1023 4.763,1024 6.347,1025 7.641,1026 3.632,1027 11.167,1028 6.15,1029 9.198,1030 1.229,1031 11.154,1032 3.035,1033 6.938,1034 8.574,1035 4.112,1036 13.204,1037 6.644,1038 10.634,1039 1,1040 12.981,1041 2.758,1042 8.365,1043 10.352,1044 5.202,1045 15.866,1046 8.044,1047 12.097,1048 0.878,1049 14.842,1050 2.275,1051 9.312,1052 11.64,1053 5.889,1054 18.212,1055 8.9,1056 13.582,1057 0.618,1058 16.728,1059 2.111,1060 10.582,1061 13.263,1062 6.849,1063 20.763,1064 10.132,1065 3.377,1066 0.592,1067 18.635,1068 1.372,1069 11.682,1070 14.704,1071 7.625,1072 23.214,1073 11.153,1074 3.334,1075 12.404,1076 20.556,1077 1.371,1078 12.903,1079 16.275,1080 8.526,1081 25.733,1082 12.327,1083 2.57,1084 11.975,1085 22.489,1086 4.727,1087 14.067,1088 17.779,1089 9.342,1090 28.219,1091 13.423,1092 2.505,1093 7.748,1094 24.431,1095 4.696,1096 15.275,1097 19.334,1098 10.216,1099 30.728,1100 14.58,1101 2.4,1102 7.54,1103 26.38,1104 3.496,1105 16.465,1106 20.864,1107 11.051,1108 33.226,1109 15.709,1110 2.173,1111 6.461,1112 28.335,1113 3.393,1114 17.672,1115 22.414,1116 11.912,1117 35.732,1118 16.863,1119 2.087,1120 6.32,1121 30.294,1122 3.321,1123 18.874,1124 23.956,1125 12.755,1126 38.235,1127 18.008,1128 15879,1129 29317,1130 24.156,1131 39.801,1132 55.91,1133 57.588,1134 57.006,1135 55.819,1136 55.697,1137 75.485,1138 5.725,1139 164.112,1140 53.249,1141 5.752,1142 6.683,1143 6.906,1144 5.376,1145 5.377,1146 7.727,1147 3.925,1148 19.654,1149 5.238,1150 19.39,1151 1.511,1152 1.556,1153 1.541,1154 1.509,1155 1.505,1156 2.04,1157 0.155,1158 4.435,1159 1.439,1160 4.186,1161 4.218,1162 4.735,1163 4.106,1164 8.201,1165 4.104,1166 4.057,1167 4.037,1168 4.139,1169 4.039,1170 7.717,1171 3.959,1172 3.88,1173 3.946,1174 3.823,1175 3.679,1176 7.474,1177 3.705,1178 3.708,1179 3.749,1180 3.724,1181 3.577,1182 6.999,1183 3.563,1184 3.646,1185 3.66,1186 3.596,1187 3.523,1188 6.351,1189 3.489,1190 3.444,1191 3.468,1192 3.367,1193 3.266,1194 4.978,1195 3.273,1196 3.303,1197 3.349,1198 3.183,1199 3.162,1200 4.862,1201 3.139,1202 3.038,1203 3.13,1204 2.891,1205 2.86,1206 4.585,1207 2.844,1208 0.131,1209 0.127,1210 0.197,1211 0.116,1212 0.091,1213 4.845,1214 0.128,1215 4.683,1216 0.063,1217 7.293,1218 0.335,1219 4.31,1220 0.088,1221 3.377,1222 4.727,1223 2.341,1224 12.404,1225 3.238,1226 1.978,1227 1.965,1228 2.071,1229 2.067,1230 1.299,1231 2.081,1232 1.949,1233 1.948,1234 1.966,1235 2.023,1236 1.209,1237 2.048,1238 1.752,1239 1.699,1240 1.908,1241 1.933,1242 1.122,1243 1.929,1244 1.598,1245 1.554,1246 1.791,1247 1.807,1248 1.06,1249 1.805,1250 1.493,1251 1.482,1252 1.663,1253 1.699,1254 0.865,1255 1.703,1256 1.421,1257 1.374,1258 1.62,1259 1.628,1260 0.736,1261 1.636,1262 1.291,1263 1.23,1264 1.471,1265 1.525,1266 0.51,1267 1.513,1268 1.216,1269 1.167,1270 1.244,1271 1.416,1272 0.452,1273 1.457,1274 4.317,1276 5.659,1277 3.045,1278 7.179,1279 5.416,1280 8.782,1281 7.535,1282 10.437,1284 1.984,1286 13.142,1289 9.032,1290 1.598,1291 2.583,1300 38.31,1301 104.94,1302 236.099,1303 298.67,1304 322.321,1305 322.321,1306 322.321,1307 86.293,1308 7.861,1309 106.22,1310 114.6,1311 22,1312 12.83,1313 4.644,1314 3.858,1315 56.701,1316 151,1317 174,1318 0.178,1319 237.63,1320 408.06,1321 571.578,1322 27913,1323 1.7,1324 24.294,1325 0.715,1326 0.571,1327 23.674,1328 19.425,1329 16.242,1330 0.439,1331 0.331,1332 10.736,1333 14.741,1334 10.375,1335 8.551,1336 16.669,1337 12.261,1338 15.389,1339 0.29,1340 0.185,1341 16.09,1342 9.815,1343 12.226,1344 0.18,1345 0.107,1346 12.923,1347 7.274,1348 9.809,1349 0.111,1350 0.058,1351 10.525,1352 5.066,1353 7.703,1354 0.071,1355 0.032,1356 8.224,1357 3.494,1358 0.28,1359 110.761,1360 0.203,1361 31.5,1362 0.489,1363 180,1364 625.596,1365 237.107,1366 595.925,1367 788.75,1368 548,1369 211,1370 536.991,1371 273.176,1372 572.403,1373 829.37,1374 536,1375 7.409} {0 CHEMBL43384,1 1.716,2 11.839,3 4.559,4 20.785,5 120.62,6 8.5,7 0.545,8 4.072,9 4.161,10 3.871,11 3.704,12 5.196,13 3.651,14 4.593,15 4.728,16 4.152,17 4.082,18 5.955,19 4.002,20 4.866,21 5.041,22 4.167,23 4.226,24 5.988,25 4.105,26 4.945,27 5.149,28 4.051,29 4.172,30 6.066,31 4.043,32 4.903,33 5.133,34 4.137,35 4.148,36 5.957,37 4.019,38 4.882,39 5.081,40 4.195,41 4.15,42 6.107,43 4.052,44 4.893,45 5.1,46 4.064,47 4.155,48 5.989,49 4.048,50 4.889,51 5.094,52 4.055,53 4.153,54 5.978,55 4.028,56 0.12,57 0.737,58 11.816,59 5.401,60 23.452,61 6.093,62 0.43,63 1.177,64 19.647,65 9.002,66 78.101,67 10.802,68 0.388,69 1.475,70 33.815,71 12.984,72 72.083,73 15.053,74 0.564,75 1.564,76 36.154,77 13.058,78 98.412,79 15.41,80 0.442,81 1.528,82 37.019,83 12.925,84 72.299,85 15.892,86 0.592,87 1.452,88 36.372,89 12.829,90 97.565,91 15.163,92 0.492,93 1.484,94 33.481,95 12.478,96 94.807,97 15.079,98 0.501,99 1.51,100 34.084,101 12.436,102 85.438,103 14.863,104 29,105 45,106 0.282,107 0.581,108 0.726,109 0.841,110 0.885,111 0.885,112 3.472,113 1.06,114 -4.17,115 -4.11,116 -3.89,118 42.6,120 4,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 19,181 1,186 7,191 5,194 18,195 1,198 8,203 6,206 11,207 2,210 7,215 4,218 11,219 2,222 12,227 5,229 13,230 2,234 8,239 4,242 15,243 1,247 7,250 1,252 2,253 1,255 14,256 1,259 6,262 1,263 1,264 1,267 11,268 1,270 1938,271 20.455,272 20.455,273 20.455,274 20.455,275 20.455,276 17.734,277 19.048,278 12.224,279 20.823,280 16.282,281 16.282,282 16.282,283 16.282,284 16.282,285 12.148,286 15.996,287 5.852,288 16.946,289 4.039,290 2.219,291 1.334,292 0.635,293 0.37,294 0.37,295 4.152,297 1,299 1,300 1,301 766,302 4.243,306 343.322,313 1.79,314 42.242,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 67.333,326 367,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.697,333 2.341,334 12.408,335 3.073,336 4.271,337 3.6,338 6.181,339 3.907,340 2.91,341 3.913,342 0.522,343 9.22,344 2.898,345 3.892,346 3.136,347 5.34,348 3.501,349 2.51,350 3.442,352 6.967,353 2.487,354 3.835,355 2.898,356 5.272,357 3.354,358 2.403,359 3.393,361 6.709,362 2.34,363 3.632,364 2.708,365 5.146,366 3.304,367 2.343,368 2.899,370 6.316,371 2.155,372 3.444,373 2.536,374 4.738,375 3.068,376 2.065,377 2.648,379 5.045,380 2.05,381 3.083,382 2.023,383 4.608,384 2.677,385 1.707,386 2.29,388 4.792,389 1.652,390 2.985,391 1.767,392 4.402,393 2.538,394 1.587,395 2.15,397 4.321,398 1.443,399 2.856,400 1.545,401 3.63,402 2.403,403 1.431,404 1.997,406 3.114,407 1.386,408 2.5,409 1.179,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.406,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.088,427 1,428 3.247,429 1.825,430 0.847,431 1.005,433 1.942,434 0.823,435 1.821,436 0.974,437 3.139,438 1.609,439 0.612,440 0.712,442 1.427,443 0.608,444 1.705,445 0.697,446 3.041,447 1.47,448 0.495,449 0.567,451 1.14,452 0.478,453 1.12,454 0.57,455 2.743,456 0.792,457 -0.171,458 -0.203,460 -0.403,461 -0.13,462 15.181,463 0.49,464 0.841,465 0.027,466 41,467 1.323,468 22.5,469 0.726,470 18.5,471 0.597,472 26.004,473 0.839,474 33.419,475 0.619,476 32.694,477 1.055,478 7.983,479 0.258,480 6.848,481 0.221,482 0.135,483 0.055,484 0.231,487 0.58,488 1.177,489 0.719,490 1.092,491 0.679,492 0.898,493 0.485,494 1.061,495 0.788,496 0.97,497 0.46,498 0.998,499 0.907,500 1.175,501 1.127,502 1.187,503 0.888,504 1.136,505 1.113,506 1.082,507 1.036,508 1.041,509 1.119,510 1.115,511 0.752,512 0.947,513 0.656,514 0.861,515 0.742,516 0.9,517 0.792,518 0.998,519 0.862,520 1.046,521 0.838,522 0.942,523 0.976,524 0.985,525 0.841,526 0.91,527 1.036,528 0.948,529 0.973,530 1.02,531 1.004,532 1.022,533 0.968,534 1.073,535 7.5,536 0.252,537 3.778,538 1.375,539 1.427,540 1.243,541 0.654,542 0.488,543 0.353,544 0.359,545 12727,546 43667,547 2.004,548 42.6,549 6,550 11,552 2,553 2,554 2,558 1.742,559 1.869,560 3.516,561 0.225,567 92.68,568 1.716,569 3.536,570 4.421,571 5.12,572 5.385,573 5.385,574 2.955,575 4.438,576 4.921,577 3.723,578 1731.18,579 8.628,580 25744.6,585 310.764,586 1.525,587 4.873,588 0.227,589 0.007,590 0.084,591 0.031,592 0.038,593 0.031,594 0.015,595 0.012,596 0.009,597 0.01,598 0.464,599 0.33,600 1,601 1.064,602 162.351,603 0.034,604 -0.036,605 0.124,606 -0.019,607 -0.111,608 0.045,609 0.252,610 0.023,611 0.009,612 -0.003,613 0.26,614 -0.059,615 -0.099,616 -0.166,617 -0.142,618 -0.138,619 -0.069,620 -0.14,621 -0.17,622 -0.089,623 -0.143,624 -0.081,625 -0.135,626 -0.142,627 -0.001,628 0.05,629 0.174,630 0.102,631 0.02,632 0.104,633 0.106,634 -0.017,635 0.084,636 -0.033,637 0.096,638 0.059,639 -0.101,640 -0.007,641 -0.016,642 0.034,643 -0.11,644 0.035,645 -0.113,646 -0.007,647 -0.107,648 -0.055,649 -0.129,650 -0.095,651 4.604,652 5.624,653 0.581,654 35.242,655 1.012,656 1.116,657 2.942,658 8.654,659 0.698,660 3.526,661 3.829,662 3.989,663 4.143,664 4.382,665 4.407,666 4.431,667 4.522,668 4.644,669 4.673,670 7.32,671 0.661,672 459,673 3.526,674 5.056,675 5.866,676 6.72,677 7.552,678 8.41,679 9.251,680 10.112,681 10.959,682 11.823,683 3.7,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 54,726 21,727 2,728 33,730 56,731 23,733 17,734 5,735 7,739 3,740 3,741 1,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 5,847 1,861 1,862 7.4,864 1,865 3,869 16.583,870 9.376,871 6.819,872 3.101,874 3.059,875 1.422,876 0.963,877 7.941,878 10.313,879 3.829,880 4.425,881 4.854,882 5.305,883 5.829,884 5.907,885 6.05,886 6.256,887 6.642,888 6.885,889 0.875,890 44,891 11.712,893 5.187,894 8.039,895 21.572,897 17.656,899 2.539,900 78.694,903 1,904 247.193,905 140.136,906 33.191,907 39.149,908 112.141,910 5.807,911 134.328,912 398.483,913 33.191,915 12.244,916 107.499,917 153.379,918 35.888,920 223.651,921 39.149,922 247.193,923 167.519,924 112.141,925 44.956,927 247.193,928 112.141,931 46.744,932 103.99,933 61.742,935 247.193,936 145.332,937 179.284,939 5.807,940 247.193,941 30.947,942 103.381,943 16.405,944 168.075,945 247.193,946 145.332,947 179.284,949 0.58,950 0.311,951 0.149,952 0.088,953 19,954 9,955 0.179,956 10,958 1,959 4.23,960 262.338,962 18,963 147.58,967 1,968 23.112,969 10.651,970 6.981,972 145.332,973 19.049,974 4.128,978 4.422,980 59.088,981 571.809,982 45,986 -3.687,987 36.16,991 -0.85,994 54.633,995 60.265,996 0.298,997 0.614,998 0.768,999 0.89,1000 0.936,1001 0.936,1002 5.047,1003 1.587,1004 5.866,1005 4.792,1006 4.511,1007 5.112,1008 2.313,1009 6.65,1010 4.435,1011 6.272,1012 1.431,1013 7.42,1014 4.321,1015 4.205,1016 5.112,1017 2.243,1018 7.789,1019 4.025,1020 7.603,1021 1,1022 9.089,1023 3.114,1024 6.129,1025 7.371,1026 3.632,1027 10.761,1028 5.961,1029 8.976,1030 1,1031 10.835,1032 2.275,1033 6.635,1034 8.185,1035 4.112,1036 12.79,1037 6.34,1038 10.385,1039 0.847,1040 12.635,1041 2.136,1042 8.078,1043 9.982,1044 5.202,1045 15.399,1046 7.781,1047 11.822,1048 0.612,1049 14.476,1050 1.942,1051 8.955,1052 11.168,1053 5.889,1054 17.748,1055 8.526,1056 13.282,1057 0.495,1058 16.348,1059 1.427,1060 10.225,1061 12.796,1062 6.849,1063 20.275,1064 9.764,1065 3.377,1066 -0.171,1067 18.245,1068 1.14,1069 11.276,1070 14.162,1071 7.625,1072 22.732,1073 10.69,1074 2.91,1075 12.408,1076 20.16,1077 -0.403,1078 12.488,1079 15.727,1080 8.526,1081 25.245,1082 11.843,1083 2.51,1084 9.22,1085 22.091,1086 4.697,1087 13.62,1088 17.182,1089 9.342,1090 27.739,1091 12.858,1092 2.403,1093 6.967,1094 24.033,1095 3.913,1096 14.817,1097 18.725,1098 10.216,1099 30.251,1100 13.977,1101 2.343,1102 6.709,1103 25.985,1104 3.442,1105 15.988,1106 20.223,1107 11.051,1108 32.759,1109 15.037,1110 2.065,1111 6.316,1112 27.944,1113 3.393,1114 17.185,1115 21.761,1116 11.912,1117 35.273,1118 16.144,1119 1.707,1120 5.045,1121 29.908,1122 2.899,1123 18.375,1124 23.281,1125 12.755,1126 37.786,1127 17.226,1128 12515,1129 23370,1130 21.553,1131 37.71,1132 48.729,1133 50.241,1134 49.383,1135 48.833,1136 48.574,1137 65.425,1138 5.725,1139 135.624,1140 46.689,1141 5.737,1142 6.684,1143 7.095,1144 5.346,1145 5.377,1146 7.697,1147 3.925,1148 19.58,1149 5.073,1150 16.77,1151 1.477,1152 1.522,1153 1.496,1154 1.48,1155 1.472,1156 1.983,1157 0.173,1158 4.11,1159 1.415,1160 4.091,1161 4.085,1162 4.736,1163 4.073,1164 7.717,1165 3.999,1166 3.97,1167 3.982,1168 3.929,1169 3.926,1170 7.474,1171 3.905,1172 3.854,1173 3.893,1174 3.925,1175 3.764,1176 6.999,1177 3.765,1178 3.656,1179 3.669,1180 3.787,1181 3.575,1182 6.351,1183 3.509,1184 3.574,1185 3.581,1186 3.502,1187 3.418,1188 4.931,1189 3.413,1190 3.326,1191 3.387,1192 3.181,1193 3.185,1194 4.895,1195 3.174,1196 3.161,1197 3.187,1198 3.174,1199 2.982,1200 4.7,1201 2.985,1202 2.86,1203 2.925,1204 3.05,1205 2.749,1206 4.264,1207 2.732,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.845,1214 0.142,1215 4.684,1216 0.071,1217 7.293,1218 0.376,1219 4.295,1220 0.093,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.073,1226 1.996,1227 1.986,1228 2.102,1229 2.076,1230 1.351,1231 2.098,1232 1.937,1233 1.933,1234 1.971,1235 2,1236 1.165,1237 2.034,1238 1.84,1239 1.804,1240 1.951,1241 1.954,1242 1.157,1243 1.962,1244 1.572,1245 1.543,1246 1.773,1247 1.765,1248 0.995,1249 1.77,1250 1.456,1251 1.463,1252 1.607,1253 1.633,1254 0.779,1255 1.66,1256 1.325,1257 1.27,1258 1.462,1259 1.51,1260 0.656,1261 1.534,1262 1.083,1263 1.058,1264 1.181,1265 1.294,1266 0.419,1267 1.306,1268 0.886,1269 0.824,1270 1.16,1271 1.105,1272 0.291,1273 1.107,1274 4.205,1276 5.509,1278 6.997,1280 8.564,1282 10.173,1285 5.844,1289 8.958,1290 2.029,1291 2.642,1300 35.711,1301 92.68,1302 190.962,1303 238.725,1304 276.499,1305 290.764,1306 290.764,1307 83.299,1308 7.255,1309 96.36,1310 104.74,1311 18,1312 12.375,1313 4.459,1314 3.7,1315 57.897,1316 130,1317 143,1318 0.205,1319 228.978,1320 401.16,1321 550.465,1322 13847,1323 1.9,1324 22.269,1325 0.718,1326 0.592,1327 23.019,1328 18.364,1329 14.831,1330 0.449,1331 0.353,1332 9.867,1333 13.338,1334 9.489,1335 7.842,1336 15.941,1337 11.661,1338 13.736,1339 0.305,1340 0.208,1341 15.468,1342 9.34,1343 10.352,1344 0.195,1345 0.124,1346 11.732,1347 6.55,1348 7.717,1349 0.124,1350 0.07,1351 8.739,1352 4.319,1353 6.436,1354 0.081,1355 0.042,1356 7.512,1357 3.294,1358 0.323,1359 103.456,1360 0.215,1361 29.368,1362 0.56,1363 156,1364 500.398,1365 219.911,1366 535.486,1367 695.48,1368 490,1369 176,1370 437.182,1371 239.141,1372 490.862,1373 701.65,1374 459,1375 7.367} {0 CHEMBL434063,1 1.486,2 16.243,3 5.829,4 33.974,5 145.237,6 7.509,7 0.6,8 4.27,9 4.378,10 3.835,11 3.836,12 5.431,13 3.815,14 4.766,15 4.92,16 4.153,17 4.192,18 5.93,19 4.15,20 5.04,21 5.232,22 4.23,23 4.325,24 6.143,25 4.259,26 5.109,27 5.316,28 4.179,29 4.323,30 6.224,31 4.245,32 5.128,33 5.342,34 4.222,35 4.352,36 6.237,37 4.273,38 5.148,39 5.356,40 4.216,41 4.345,42 6.293,43 4.27,44 5.094,45 5.304,46 4.145,47 4.29,48 6.33,49 4.205,50 4.989,51 5.21,52 4.025,53 4.227,54 6.092,55 4.121,56 0.036,57 0.891,58 12.827,59 6.053,60 12.783,61 7.58,62 0.268,63 1.434,64 23.226,65 9.605,66 46.898,67 12.412,68 0.447,69 1.794,70 33.166,71 12.599,72 57.409,73 16.616,74 0.469,75 1.866,76 36.85,77 13.487,78 80.658,79 17.598,80 0.396,81 1.875,82 37.685,83 14.434,84 74.204,85 19.033,86 0.416,87 1.881,88 38.698,89 14.543,90 82.604,91 18.767,92 0.677,93 1.757,94 37.211,95 13.945,96 127.42,97 18.088,98 0.459,99 1.62,100 32.867,101 13.131,102 70.787,103 17.674,104 18,105 53,106 0.233,107 0.542,108 0.713,109 0.839,110 0.878,111 0.885,112 3.641,113 0.902,114 -5.01,115 -4.91,116 -4.6,118 45.5,120 1,123 1,124 2,126 1,140 16,141 3,142 2,143 1,145 1,153 1,154 1,163 1,167 1,168 17,171 1,172 7,175 1,177 3,178 1,180 18,181 1,185 1,186 8,189 1,190 1,191 4,194 12,195 1,198 7,201 1,203 5,206 8,207 4,209 1,210 10,215 8,218 12,219 4,222 8,223 1,227 6,229 15,230 2,233 1,234 7,235 1,237 2,239 3,242 18,243 2,246 1,247 7,250 1,252 2,255 17,256 2,259 7,264 2,267 16,268 1,270 2962,271 25.173,272 25.173,273 25.173,274 25.173,275 25.173,276 22.009,277 23.795,278 15.29,279 25.521,280 19.75,281 19.75,282 19.75,283 19.75,284 19.75,285 15.115,286 31.123,287 7.276,288 20.296,289 4.558,290 2.586,291 1.5,292 0.694,293 0.447,294 0.405,295 4.337,300 1,301 1288,302 4.472,306 571.305,313 2.561,314 38.387,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 0.83,323 0.5,324 0.7,325 79.5,326 601,327 4.43,328 3.759,329 6.619,330 4.098,331 3.092,332 4.036,333 2.375,334 10.489,335 3.112,336 4.083,337 3.604,338 6.018,339 3.795,340 2.807,341 3.645,342 0.86,343 8.59,344 2.764,345 4.044,346 3.045,347 6.01,348 3.71,349 2.783,350 3.537,351 0.8,352 8.538,353 2.577,354 3.942,355 2.914,356 5.686,357 3.555,358 2.584,359 3.479,360 0.458,361 7.569,362 2.514,363 3.795,364 2.748,365 5.448,366 3.424,367 2.434,368 3.036,370 7.159,371 2.399,372 3.444,373 2.582,374 5.088,375 3.088,376 2.127,377 2.709,379 6.174,380 2.027,381 3.241,382 2.178,383 4.626,384 2.793,385 1.836,386 2.513,388 4.601,389 1.789,390 3.15,391 1.988,392 4.313,393 2.786,394 1.776,395 2.333,397 4.273,398 1.753,399 2.918,400 1.923,401 3.86,402 2.475,403 1.488,404 2.078,406 3.291,407 1.462,408 2.767,409 1.543,410 3.666,411 2.311,412 1.313,413 1.883,415 2.931,416 1.31,417 2.579,418 1.408,419 3.585,420 2.264,421 1.306,422 1.594,424 2.859,425 1.243,426 2.5,427 1.325,428 3.539,429 2.041,430 1.054,431 1.5,433 2.542,434 1.025,435 2.5,436 1.3,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1.122,446 3.276,447 2,448 1,449 1.5,451 2.136,452 1,453 2.399,454 1,455 3.247,456 1.959,457 1,458 1.303,460 2.136,461 0.956,462 17.533,463 0.474,464 0.75,465 0.02,466 51.5,467 1.392,468 28.5,469 0.77,470 23,471 0.622,472 28.925,473 0.782,474 38.867,475 0.589,476 43.61,477 1.179,478 10.672,479 0.288,480 7.336,481 0.198,482 0.086,484 0.279,487 0.783,488 1.207,489 0.79,490 1.032,491 0.676,492 0.93,493 0.823,494 1.111,495 0.931,496 1.031,497 0.546,498 0.994,499 1,500 1.074,501 1.015,502 1.026,503 0.859,504 1.02,505 1.252,506 1.027,507 1.107,508 1.021,509 1.278,510 1.033,511 1.055,512 0.999,513 0.955,514 1.008,515 1.059,516 0.973,517 1.293,518 1.018,519 1.033,520 1.027,521 1.308,522 0.998,523 1.155,524 0.915,525 1.029,526 0.958,527 1.192,528 0.977,529 0.716,530 0.979,531 0.935,532 1.03,533 0.751,534 1.023,535 6,536 0.161,537 3.778,538 2.125,539 1.667,540 1.063,541 0.873,542 0.587,543 0.341,544 0.271,545 23940,546 64098,547 2.071,548 43.9,550 24,552 1,553 2,555 2,558 1.777,559 1.965,560 3.937,561 0.108,567 98.087,568 1.486,569 3.458,570 4.544,571 5.351,572 5.597,573 5.639,574 3.409,575 4.703,576 5.178,577 4.148,578 2762.28,579 9.092,580 48116.5,585 398.93,586 1.283,587 5.153,588 0.15,589 0.005,590 0.071,591 0.039,592 0.033,593 0.02,594 0.016,595 0.012,596 0.008,597 0.007,598 0.36,599 0.17,600 0.75,601 0.629,602 208.484,603 -0.048,604 -0.092,605 0.032,606 -0.012,607 -0.071,608 0.016,609 0.044,610 -0.013,611 -0.039,612 -0.047,613 0.094,614 -0.053,615 0.007,616 -0.033,617 -0.057,618 -0.054,619 -0.008,620 -0.065,621 -0.123,622 -0.018,623 -0.114,624 -0.054,625 -0.106,626 -0.076,627 -0.029,628 -0.025,629 0.032,630 -0.019,631 -0.007,632 0.012,633 -0.118,634 -0.054,635 -0.029,636 -0.043,637 -0.076,638 -0.024,639 0.057,640 0.034,641 -0.017,642 0.032,643 0.105,644 0.001,645 0.148,646 -0.029,647 0.038,648 -0.02,649 0.102,650 -0.009,651 2.667,652 6.015,653 0.649,654 50.44,655 1.002,656 1.117,657 3.779,658 14.283,659 0.678,660 3.714,661 3.989,662 4.22,663 4.407,664 4.615,665 4.564,666 4.663,667 4.718,668 4.762,669 4.787,670 9.355,671 0.648,672 495.62,673 3.714,674 5.231,675 6.057,676 6.903,677 7.745,678 8.595,679 9.443,680 10.295,681 11.147,682 12.001,683 4.5,688 1,689 1,693 1,699 17,700 1,704 6,706 24,710 1,717 1,719 1,722 1,724 66,726 26,727 3,728 40,730 69,731 30,733 23,734 5,735 13,736 1,739 4,740 4,751 2,753 25,754 5,756 2,761 2,765 2,772 29,773 7,774 2,775 7,779 3,784 1,785 4,795 1,802 4,818 1,830 1,832 4,836 1,840 37,845 1,846 3,847 1,848 1,850 1,851 1,862 6.1,864 1,865 2,867 1,869 18.833,870 11.85,871 8.306,872 3.767,874 4.113,875 1.522,876 0.959,877 9.037,878 11.995,879 4.007,880 4.543,881 5.059,882 5.543,883 6.047,884 6.01,885 6.31,886 6.538,887 6.813,888 7.048,889 0.909,890 55,891 13.722,893 5.792,894 7.829,895 25.856,897 20.677,899 2.329,900 86.167,904 317.82,905 204.225,906 37.921,908 103.973,911 204.225,912 421.793,913 37.921,914 8.396,915 9.233,916 151.62,917 145.584,918 40.729,919 2.328,920 306.049,922 317.82,923 242.145,924 103.973,927 294.278,928 127.515,931 18.28,932 189.069,933 34.796,935 317.82,936 141.894,937 204.225,940 317.82,941 35.161,942 172.188,943 18.011,944 120.759,945 317.82,946 141.894,947 204.225,949 0.57,950 0.33,951 0.172,952 0.095,953 22,954 10,955 0.174,956 12,958 1,959 4.85,960 335.407,962 24,963 182.75,968 26.087,969 12.817,970 7.262,972 141.894,973 30.813,974 4.316,978 3.882,980 60.694,981 663.938,982 54,987 25.082,991 -1.164,994 66.101,995 73.73,996 0.246,997 0.572,998 0.752,999 0.885,1000 0.926,1001 0.933,1002 5.209,1003 1.776,1004 6.009,1005 4.601,1006 4.673,1007 5.231,1008 2.554,1009 6.758,1010 4.624,1011 6.384,1012 1.488,1013 7.531,1014 4.273,1015 4.111,1016 4.771,1017 2.283,1018 7.554,1019 4.039,1020 7.655,1021 1.313,1022 9.157,1023 3.291,1024 6.205,1025 7.317,1026 3.737,1027 10.636,1028 6.114,1029 8.96,1030 1.306,1031 10.846,1032 2.931,1033 6.494,1034 7.67,1035 4.178,1036 12.289,1037 6.39,1038 10.297,1039 1.054,1040 12.576,1041 2.859,1042 8.016,1043 9.668,1044 5.297,1045 14.869,1046 7.897,1047 11.656,1048 1,1049 14.335,1050 2.542,1051 8.705,1052 10.424,1053 5.987,1054 16.878,1055 8.584,1056 13.034,1057 1,1058 16.114,1059 2.275,1060 9.981,1061 12.156,1062 6.966,1063 19.288,1064 9.85,1065 3.092,1066 1,1067 17.908,1068 2.136,1069 10.87,1070 13.144,1071 7.754,1072 21.461,1073 10.744,1074 2.807,1075 10.489,1076 19.714,1077 2.136,1078 12.036,1079 14.726,1080 8.671,1081 23.813,1082 11.907,1083 2.783,1084 8.59,1085 21.529,1086 4.036,1087 13.026,1088 15.856,1089 9.5,1090 26.067,1091 12.906,1092 2.584,1093 8.538,1094 23.351,1095 3.645,1096 14.145,1097 17.349,1098 10.389,1099 28.404,1100 14.029,1101 2.434,1102 7.569,1103 25.18,1104 3.537,1105 15.187,1106 18.57,1107 11.238,1108 30.699,1109 15.084,1110 2.127,1111 7.159,1112 27.014,1113 3.479,1114 16.29,1115 20.012,1116 12.114,1117 33.034,1118 16.195,1119 1.836,1120 6.174,1121 28.854,1122 3.036,1123 17.36,1124 21.29,1125 12.971,1126 35.352,1127 17.279,1128 22733,1129 37370,1130 26.929,1131 44.733,1132 59.457,1133 60.606,1134 60.175,1135 58.733,1136 58.662,1137 77.828,1138 8.985,1139 159.234,1140 57.218,1141 5.335,1142 5.759,1143 6.421,1144 5.168,1145 5.092,1146 7.036,1147 3.987,1148 17.659,1149 5.112,1150 16.612,1151 1.486,1152 1.515,1153 1.504,1154 1.468,1155 1.467,1156 1.946,1157 0.225,1158 3.981,1159 1.43,1160 4.023,1161 4.049,1162 3.97,1163 3.947,1164 7.474,1165 3.949,1166 3.928,1167 3.955,1168 3.868,1169 3.857,1170 7.427,1171 3.855,1172 3.877,1173 3.922,1174 3.815,1175 3.761,1176 6.351,1177 3.763,1178 3.821,1179 3.854,1180 3.751,1181 3.75,1182 4.911,1183 3.751,1184 3.6,1185 3.636,1186 3.523,1187 3.41,1188 4.838,1189 3.429,1190 3.512,1191 3.569,1192 3.38,1193 3.321,1194 4.756,1195 3.326,1196 3.209,1197 3.244,1198 3.148,1199 3.064,1200 4.69,1201 3.078,1202 3.172,1203 3.219,1204 3.034,1205 2.93,1206 4.356,1207 2.94,1208 0.111,1209 0.094,1210 0.165,1211 0.102,1212 0.077,1213 4.43,1214 0.101,1215 3.759,1216 0.059,1217 6.619,1218 0.262,1219 4.098,1220 0.078,1221 3.092,1222 4.036,1223 2.375,1224 10.489,1225 3.112,1226 1.97,1227 1.949,1228 2.067,1229 2.064,1230 1.246,1231 2.065,1232 1.916,1233 1.893,1234 2.031,1235 2.017,1236 1.139,1237 2.019,1238 1.836,1239 1.799,1240 1.964,1241 1.985,1242 1.103,1243 1.984,1244 1.826,1245 1.79,1246 1.952,1247 1.916,1248 1.02,1249 1.93,1250 1.539,1251 1.497,1252 1.77,1253 1.756,1254 0.903,1255 1.759,1256 1.472,1257 1.413,1258 1.669,1259 1.687,1260 0.849,1261 1.683,1262 1.147,1263 1.129,1264 1.513,1265 1.423,1266 0.612,1267 1.453,1268 1.139,1269 1.058,1270 1.284,1271 1.323,1272 0.337,1273 1.303,1274 4.394,1276 5.68,1278 7.16,1280 8.721,1282 10.324,1284 1.958,1289 9.877,1290 1.398,1291 3.06,1292 5.846,1294 -0.913,1295 2.012,1300 42.772,1301 98.087,1302 228.224,1303 299.91,1304 353.156,1305 369.42,1306 372.175,1307 82.814,1308 7.883,1309 91.76,1310 91.76,1311 24,1312 12.556,1313 4.755,1314 3.907,1315 65.178,1316 206,1317 221,1318 0.148,1319 264.351,1320 465.72,1321 636.777,1322 35784,1324 26.037,1325 0.704,1326 0.556,1327 26.037,1328 20.58,1329 18.008,1330 0.45,1331 0.301,1332 11.887,1333 17.431,1334 11.608,1335 9.653,1336 18.008,1337 12.031,1338 15.634,1339 0.295,1340 0.162,1341 15.634,1342 8.582,1343 12.914,1344 0.193,1345 0.089,1346 12.914,1347 5.934,1348 10.112,1349 0.125,1350 0.048,1351 10.112,1352 3.892,1353 8.253,1354 0.083,1355 0.026,1356 8.253,1357 2.621,1358 0.241,1359 112.21,1360 0.193,1361 34.58,1362 0.381,1363 186,1364 554.979,1365 201.986,1366 537.278,1367 724.26,1368 502,1369 213,1370 518.659,1371 228.797,1372 527.036,1373 761.19,1374 496,1375 5.53} {0 CHEMBL43468,1 1.41,2 20.68,3 7.281,4 53.016,5 191.208,6 7.289,7 0.444,8 4.609,9 4.706,10 4.138,11 4.159,12 5.74,13 4.135,14 5.139,15 5.28,16 4.464,17 4.538,18 6.304,19 4.485,20 5.434,21 5.628,22 4.53,23 4.692,24 6.435,25 4.61,26 5.524,27 5.732,28 4.529,29 4.713,30 6.519,31 4.624,32 5.516,33 5.718,34 4.577,35 4.776,36 6.485,37 4.682,38 5.62,39 5.838,40 4.583,41 4.827,42 6.6,43 4.716,44 5.592,45 5.821,46 4.528,47 4.802,48 6.515,49 4.682,50 5.556,51 5.782,52 4.524,53 4.731,54 6.52,55 4.628,56 0.079,57 1.171,58 19.271,59 9.443,60 23.847,61 11.487,62 0.536,63 1.91,64 35.57,65 15.527,66 86.757,67 19.544,68 0.485,69 2.471,70 50.953,71 20.648,72 97.575,73 26.728,74 0.874,75 2.625,76 58.06,77 21.952,78 121.707,79 28.37,80 0.528,81 2.701,82 55.45,83 22.576,84 97.231,85 29.593,86 1.054,87 2.957,88 63.608,89 24.508,90 130.755,91 32.606,92 0.596,93 2.908,94 61.277,95 24.392,96 103.76,97 32.858,98 0.676,99 2.742,100 59.879,101 23.118,102 101.489,103 30.744,104 50,105 71,106 0.207,107 0.532,108 0.74,109 0.875,110 0.915,111 0.918,112 3.934,113 0.941,114 -5.5,115 -5.38,116 -5.02,118 44.1,120 7,121 1,124 2,126 1,127 1,133 3,134 1,140 14,141 5,142 2,143 2,154 2,163 2,167 2,168 28,169 2,171 1,172 12,175 2,177 4,180 30,181 2,186 15,191 4,194 26,195 2,198 16,201 1,203 4,206 25,207 2,210 13,215 3,218 31,219 2,221 2,222 11,225 1,227 4,229 35,230 2,234 8,239 5,242 34,243 2,246 1,247 11,248 2,252 5,255 28,256 4,258 2,259 11,260 1,262 2,264 6,267 22,268 4,270 6708,271 34.086,272 34.086,273 34.086,274 34.086,275 34.086,276 30.301,277 30.391,278 20.953,279 34.401,280 26.734,281 26.734,282 26.734,283 26.734,284 26.734,285 21.202,286 31.035,287 10.05,288 27.271,289 5.129,290 2.913,291 1.495,292 0.57,293 0.301,294 0.28,295 4.637,301 2193,302 5.099,306 972.682,313 3.078,314 56.179,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 108.5,326 1034,327 4.38,328 3.609,329 6.681,330 4.111,331 3.14,332 3.969,333 2.341,334 10.788,335 3.044,336 4.336,337 3.597,338 6.5,339 4.013,340 3.016,341 3.856,342 2.341,343 10.18,344 3.008,345 4.155,346 3.596,347 6.154,348 3.83,349 2.837,350 3.725,351 1.902,352 9.115,353 2.816,354 3.91,355 3.212,356 5.664,357 3.506,358 2.55,359 3.469,360 1.151,361 7.439,362 2.44,363 3.708,364 3.06,365 5.442,366 3.433,367 2.457,368 2.94,369 0.869,370 7.181,371 2.392,372 3.563,373 2.932,374 5.285,375 3.268,376 2.274,377 2.872,378 0.22,379 6.705,380 2.256,381 3.552,382 2.649,383 5.112,384 3.24,385 2.235,386 2.725,388 6.09,389 2.222,390 3.541,391 2.526,392 4.66,393 3.233,394 2.229,395 2.71,397 5.184,398 2.214,399 3.461,400 2.189,401 4.659,402 3.068,403 2.097,404 2.651,406 5.184,407 2.027,408 3.121,409 2.161,410 4.559,411 2.697,412 1.717,413 2.226,415 4.51,416 1.681,417 3.05,418 1.988,419 4.309,420 2.682,421 1.692,422 2.201,424 4.005,425 1.668,426 2.873,427 1.942,428 4.153,429 2.496,430 1.525,431 2.024,433 3.846,434 1.477,435 2.824,436 1.79,437 3.812,438 2.452,439 1.474,440 1.923,442 3.167,443 1.438,444 2.764,445 1.54,446 3.636,447 2.42,448 1.432,449 1.828,451 3.121,452 1.41,453 2.756,454 1.533,455 3.631,456 2.391,457 1.414,458 1.794,460 3.032,461 1.374,462 23.567,463 0.471,464 0.976,465 0.02,466 60.75,467 1.215,468 30.5,469 0.61,470 30.25,471 0.605,472 51.45,473 1.029,474 54.433,475 0.585,476 56.877,477 1.138,478 12.218,479 0.244,480 12.15,481 0.243,482 0.071,484 0.276,487 0.836,488 1.112,489 0.828,490 1.064,491 0.783,492 0.965,493 0.795,494 1.126,495 0.974,496 1.122,497 0.506,498 1.086,499 0.97,500 1.082,501 0.993,502 1.082,503 0.872,504 1.05,505 1.154,506 0.938,507 1.036,508 0.942,509 0.839,510 0.965,511 0.886,512 1.069,513 0.989,514 1.065,515 0.703,516 1.05,517 0.873,518 0.952,519 1.024,520 0.961,521 0.725,522 1.01,523 0.776,524 1.025,525 0.981,526 1.04,527 0.634,528 1.046,529 0.914,530 0.989,531 0.95,532 1.004,533 0.711,534 0.988,535 8,536 0.376,537 4.667,538 2.375,539 2.031,540 1.41,541 0.908,542 0.712,543 0.628,544 0.442,545 54088,546 151812,547 2.074,548 46.2,549 10,550 22,551 1,552 2,553 3,554 4,556 1,558 1.851,559 1.974,560 4.269,561 0.601,567 131.153,568 1.41,569 3.626,570 5.044,571 5.969,572 6.238,573 6.26,574 3.711,575 5.119,576 5.611,577 4.496,578 5507.79,579 9.974,580 122470,585 608.142,586 1.25,587 5.59,588 0.148,589 0.006,590 0.066,591 0.032,592 0.028,593 0.018,594 0.012,595 0.01,596 0.009,597 0.006,598 0.334,599 0.17,600 0.5,601 1.56,602 308.706,603 -0.059,604 0.004,605 0.024,606 0.027,607 -0.079,608 0.038,609 0.104,610 -0.058,611 -0.063,612 -0.076,613 0.151,614 -0.096,615 -0.068,616 -0.074,617 -0.038,618 -0.067,619 -0.07,620 -0.05,621 -0.093,622 0.045,623 -0.041,624 0.05,625 -0.06,626 0.019,627 -0.06,628 -0.06,629 -0.041,630 -0.049,631 -0.046,632 -0.043,633 0.013,634 0.046,635 -0.051,636 0.035,637 -0.029,638 -0.011,639 -0.037,640 -0.029,641 -0.027,642 -0.036,643 -0.032,644 -0.029,645 -0.027,646 -0.007,647 0.029,648 -0.009,649 -0.029,650 0.016,651 2.498,652 4.666,653 0.6,654 90.493,655 1.003,656 1.117,657 4.269,658 18.221,659 0.663,660 4.007,661 4.277,662 4.5,663 4.736,664 4.984,665 5.043,666 5.209,667 5.352,668 5.468,669 5.549,670 11.768,671 0.632,672 677.85,673 4.007,674 5.525,675 6.347,676 7.198,677 8.043,678 8.903,679 9.76,680 10.628,681 11.492,682 12.364,683 1.1,693 1,699 16,700 1,704 7,706 24,721 1,722 1,724 93,726 28,727 3,728 54,730 97,731 41,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 8,753 29,754 12,755 1,756 4,761 2,763 3,765 3,772 43,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 50,845 3,846 9,848 3,850 3,862 8.6,864 3,865 2,866 2,867 1,869 25.333,870 15.967,871 11.25,872 5.61,874 4.132,875 1.46,876 0.931,877 13.927,878 13.109,879 4.263,880 4.771,881 5.242,882 5.74,883 6.249,884 6.357,885 6.723,886 7.044,887 7.373,888 7.692,889 0.929,890 74,891 18.566,893 7.844,894 7.853,895 35.289,897 28.749,899 2.353,900 117.667,904 470.844,905 232.654,906 16.786,908 211.34,911 232.654,912 682.184,913 16.786,915 26.926,916 161.456,917 242.487,918 53.452,919 11.771,920 435.531,922 470.844,923 249.439,924 211.34,927 459.073,928 201.111,929 22,930 0.36,931 45.021,932 158.844,933 45.214,935 470.844,936 228.125,937 232.654,940 471.204,941 53.103,942 179.191,944 228.125,945 470.844,946 228.125,947 232.654,949 0.564,950 0.311,951 0.167,952 0.094,953 28,954 13,955 0.175,956 17,958 1,959 5.869,960 508.453,962 30,963 278.193,968 36.69,969 18.98,970 11.219,972 228.125,973 30.418,974 4.279,978 5.356,980 128.05,981 931.623,982 70,987 21.736,989 5.961,991 -0.566,994 93.276,995 103.893,996 0.216,997 0.555,998 0.771,999 0.913,1000 0.954,1001 0.957,1002 5.476,1003 2.229,1004 6.293,1005 6.09,1006 4.963,1007 5.46,1008 3.358,1009 7.041,1010 4.922,1011 6.639,1012 2.097,1013 7.808,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.316,1020 7.906,1021 1.717,1022 9.426,1023 5.184,1024 6.485,1025 7.504,1026 4.58,1027 10.949,1028 6.41,1029 9.204,1030 1.692,1031 11.112,1032 4.51,1033 6.746,1034 7.869,1035 4.929,1036 12.658,1037 6.657,1038 10.535,1039 1.525,1040 12.843,1041 4.005,1042 8.288,1043 9.828,1044 6.055,1045 15.264,1046 8.18,1047 11.889,1048 1.474,1049 14.607,1050 3.846,1051 8.972,1052 10.606,1053 6.678,1054 17.342,1055 8.847,1056 13.261,1057 1.432,1058 16.395,1059 3.167,1060 10.264,1061 12.307,1062 7.643,1063 19.78,1064 10.122,1065 3.14,1066 1.414,1067 18.201,1068 3.121,1069 11.166,1070 13.318,1071 8.387,1072 22.013,1073 11.004,1074 3.016,1075 10.788,1076 20.021,1077 3.032,1078 12.348,1079 14.876,1080 9.284,1081 24.392,1082 12.17,1083 2.837,1084 10.18,1085 21.853,1086 3.969,1087 13.359,1088 16.023,1089 10.083,1090 26.692,1091 13.16,1092 2.55,1093 9.115,1094 23.693,1095 3.856,1096 14.497,1097 17.499,1098 10.951,1099 29.053,1100 14.28,1101 2.457,1102 7.439,1103 25.541,1104 3.725,1105 15.562,1106 18.729,1107 11.776,1108 31.383,1109 15.325,1110 2.274,1111 7.181,1112 27.394,1113 3.469,1114 16.684,1115 20.155,1116 12.633,1117 33.739,1118 16.427,1119 2.235,1120 6.705,1121 29.253,1122 2.94,1123 17.777,1124 21.435,1125 13.47,1126 36.083,1127 17.499,1128 51877,1129 87031,1130 36.463,1131 61.631,1132 79.576,1133 80.442,1134 80.038,1135 78.601,1136 78.575,1137 100.362,1138 17.647,1139 212.067,1140 76.851,1141 5.38,1142 5.609,1143 6.483,1144 5.183,1145 5.14,1146 6.969,1147 3.925,1148 17.867,1149 5.044,1150 24.35,1151 1.474,1152 1.49,1153 1.482,1154 1.456,1155 1.455,1156 1.859,1157 0.327,1158 3.927,1159 1.423,1160 4.048,1161 4.07,1162 3.987,1163 3.97,1164 7.477,1165 3.97,1166 3.967,1167 3.989,1168 3.911,1169 3.894,1170 7.472,1171 3.895,1172 3.898,1173 3.922,1174 3.836,1175 3.84,1176 6.469,1177 3.835,1178 3.794,1179 3.827,1180 3.731,1181 3.704,1182 6.352,1183 3.706,1184 3.764,1185 3.804,1186 3.657,1187 3.661,1188 6.35,1189 3.653,1190 3.724,1191 3.773,1192 3.598,1193 3.586,1194 4.951,1195 3.577,1196 3.629,1197 3.66,1198 3.527,1199 3.459,1200 4.877,1201 3.465,1202 3.466,1203 3.498,1204 3.37,1205 3.304,1206 4.81,1207 3.311,1208 0.081,1209 0.067,1210 0.124,1211 0.076,1212 0.058,1213 4.38,1214 0.073,1215 3.609,1216 0.043,1217 6.681,1218 0.2,1219 4.111,1220 0.056,1221 3.14,1222 3.969,1223 2.341,1224 10.788,1225 3.044,1226 1.977,1227 1.956,1228 2.08,1229 2.075,1230 1.367,1231 2.074,1232 1.95,1233 1.93,1234 2.066,1235 2.05,1236 1.326,1237 2.056,1238 1.899,1239 1.876,1240 2.016,1241 1.982,1242 1.186,1243 1.994,1244 1.778,1245 1.747,1246 1.949,1247 1.901,1248 1.146,1249 1.916,1250 1.763,1251 1.722,1252 1.947,1253 1.89,1254 1.136,1255 1.908,1256 1.717,1257 1.665,1258 1.893,1259 1.886,1260 1.014,1261 1.892,1262 1.585,1263 1.547,1264 1.8,1265 1.781,1266 0.942,1267 1.784,1268 1.421,1269 1.383,1270 1.641,1271 1.626,1272 0.834,1273 1.624,1274 4.691,1276 5.974,1278 7.445,1280 9.007,1282 10.622,1289 28.524,1290 4.232,1292 18.865,1294 -1.138,1300 58.803,1301 131.153,1302 337.26,1303 469.09,1304 555.122,1305 580.142,1306 582.142,1307 131.283,1308 8.977,1309 135.41,1310 135.41,1311 30,1312 12.908,1313 4.858,1314 4.087,1315 90.731,1316 357,1317 362,1318 0.12,1319 359.015,1320 651.54,1321 867.757,1322 130735,1324 35.133,1325 0.703,1326 0.558,1327 35.133,1328 27.896,1329 24.368,1330 0.451,1331 0.314,1332 16.741,1333 23.567,1334 16.43,1335 13.59,1336 24.368,1337 16.933,1338 21.199,1339 0.299,1340 0.172,1341 21.199,1342 12.237,1343 16.717,1344 0.188,1345 0.095,1346 16.717,1347 8.493,1348 13.657,1349 0.121,1350 0.052,1351 13.657,1352 5.918,1353 11.352,1354 0.078,1355 0.029,1356 11.352,1357 4.141,1358 0.198,1359 152.229,1360 0.166,1361 43.923,1362 0.308,1363 250,1364 760.772,1365 273.862,1366 721.746,1367 960.1,1368 674,1369 285,1370 670.931,1371 306.432,1372 677.066,1373 983.7,1374 637,1375 7.398} {0 CHEMBL43488,1 1.402,2 22.412,3 7.602,4 57.796,5 195.963,6 7.207,7 0.436,8 4.637,9 4.736,10 4.157,11 4.186,12 5.757,13 4.159,14 5.172,15 5.316,16 4.479,17 4.566,18 6.32,19 4.509,20 5.471,21 5.67,22 4.542,23 4.721,24 6.455,25 4.634,26 5.548,27 5.757,28 4.535,29 4.742,30 6.537,31 4.646,32 5.559,33 5.773,34 4.556,35 4.792,36 6.502,37 4.687,38 5.613,39 5.84,40 4.555,41 4.824,42 6.562,43 4.705,44 5.601,45 5.835,46 4.513,47 4.791,48 6.521,49 4.671,50 5.543,51 5.763,52 4.493,53 4.729,54 6.524,55 4.617,56 0.069,57 1.211,58 20.191,59 9.801,60 23.227,61 12.039,62 0.526,63 1.979,64 37.242,65 16.143,66 87.058,67 20.519,68 0.509,69 2.557,70 53.463,71 21.42,72 98.611,73 27.937,74 0.799,75 2.703,76 59.231,77 22.673,78 119.7,79 29.603,80 0.584,81 2.8,82 58.979,83 23.51,84 101.395,85 31.19,86 0.708,87 2.966,88 62.831,89 24.712,90 117.412,91 33.363,92 0.658,93 2.903,94 62.684,95 24.338,96 107.148,97 32.844,98 0.863,99 2.708,100 59.085,101 22.817,102 103.41,103 30.406,104 50,105 72,106 0.204,107 0.522,108 0.722,109 0.864,110 0.902,111 0.906,112 3.953,113 0.951,114 -5.67,115 -5.53,116 -5.16,118 43.8,120 8,121 1,124 2,126 1,127 1,133 3,134 1,140 14,141 5,142 2,143 2,154 2,163 2,167 2,168 29,169 2,171 1,172 12,175 2,177 4,180 32,181 2,186 14,191 4,194 28,195 2,198 16,201 1,203 4,206 26,207 2,210 14,215 3,218 29,219 2,222 14,225 1,227 4,229 33,230 2,234 8,239 5,242 35,243 2,246 3,247 5,248 2,252 5,255 33,256 4,258 2,259 5,260 1,262 2,264 6,267 25,268 4,270 7074,271 34.794,272 34.794,273 34.794,274 34.794,275 34.794,276 31.008,277 30.391,278 21.398,279 35.127,280 27.217,281 27.217,282 27.217,283 27.217,284 27.217,285 21.696,286 27.243,287 10.251,288 27.771,289 5.183,290 3.006,291 1.635,292 0.657,293 0.396,294 0.375,295 4.657,301 2426,302 5.196,306 1054.46,313 3.313,314 55.874,317 0.5,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.68,325 110.5,326 1143,327 4.38,328 3.607,329 6.681,330 4.109,331 3.139,332 3.968,333 2.341,334 10.786,335 3.042,336 4.334,337 3.597,338 6.5,339 4.013,340 3.016,341 3.856,342 2.341,343 10.18,344 3.008,345 4.125,346 3.596,347 6.129,348 3.806,349 2.811,350 3.689,351 1.902,352 8.997,353 2.795,354 3.91,355 3.201,356 5.659,357 3.497,358 2.537,359 3.47,360 0.869,361 7.399,362 2.448,363 3.736,364 3.052,365 5.419,366 3.45,367 2.474,368 2.975,369 0.86,370 7.121,371 2.404,372 3.572,373 2.863,374 5.319,375 3.332,376 2.338,377 2.917,378 0.22,379 6.872,380 2.321,381 3.552,382 2.692,383 5.131,384 3.24,385 2.235,386 2.737,388 6.121,389 2.222,390 3.542,391 2.577,392 4.66,393 3.236,394 2.231,395 2.71,397 5.184,398 2.217,399 3.522,400 2.204,401 4.659,402 3.087,403 2.12,404 2.693,406 5.184,407 2.041,408 3.123,409 2.163,410 4.564,411 2.703,412 1.722,413 2.231,415 4.543,416 1.685,417 3.057,418 2.001,419 4.358,420 2.688,421 1.699,422 2.204,424 4.113,425 1.675,426 2.873,427 1.953,428 4.157,429 2.509,430 1.54,431 2.024,433 3.863,434 1.488,435 2.818,436 1.818,437 3.813,438 2.455,439 1.48,440 1.898,442 3.167,443 1.44,444 2.756,445 1.59,446 3.637,447 2.427,448 1.439,449 1.795,451 3.124,452 1.417,453 2.665,454 1.534,455 3.631,456 2.391,457 1.414,458 1.671,460 3.032,461 1.374,462 24.067,463 0.472,464 0.976,465 0.019,466 61.25,467 1.201,468 30.5,469 0.598,470 30.75,471 0.603,472 52.911,473 1.037,474 55.733,475 0.581,476 56.506,477 1.108,478 12.243,479 0.24,480 12.625,481 0.248,482 0.069,484 0.27,487 0.834,488 1.121,489 0.839,490 1.074,491 0.78,492 0.977,493 0.79,494 1.136,495 0.981,496 1.132,497 0.505,498 1.096,499 0.995,500 1.052,501 0.997,502 1.052,503 0.876,504 1.031,505 1.103,506 0.992,507 1.052,508 0.999,509 0.827,510 1.015,511 0.91,512 1.03,513 1,514 1.028,515 0.708,516 1.031,517 0.8,518 1.016,519 0.993,520 1.021,521 0.71,522 1.036,523 0.869,524 0.97,525 0.983,526 0.982,527 0.664,528 0.998,529 0.893,530 0.999,531 1.02,532 1.023,533 0.738,534 1.042,535 8,536 0.347,537 4.889,538 2.375,539 1.791,540 1.521,541 1.088,542 0.528,543 0.582,544 0.53,545 60949,546 168259,547 2.072,548 46.9,549 10,550 22,551 1,552 2,553 3,554 4,555 2,556 1,558 1.852,559 1.974,560 4.368,561 0.59,567 134.546,568 1.402,569 3.579,570 4.95,571 5.927,572 6.189,573 6.21,574 3.802,575 5.305,576 5.641,577 4.619,578 5888.67,579 10.014,580 138072,585 632.156,586 1.238,587 5.619,588 0.145,589 0.006,590 0.068,591 0.032,592 0.025,593 0.02,594 0.015,595 0.007,596 0.008,597 0.008,598 0.334,599 0.17,600 0.5,601 1.539,602 319.846,603 -0.056,604 0.003,605 0.024,606 0.026,607 -0.074,608 0.037,609 0.107,610 -0.064,611 -0.063,612 -0.08,613 0.153,614 -0.098,615 -0.077,616 -0.045,617 -0.036,618 -0.037,619 -0.073,620 -0.031,621 -0.078,622 -0.004,623 -0.065,624 -0.001,625 -0.054,626 -0.026,627 -0.07,628 -0.028,629 -0.041,630 -0.017,631 -0.05,632 -0.024,633 -0.016,634 -0.013,635 -0.034,636 -0.018,637 -0.024,638 -0.027,639 -0.06,640 0.022,641 -0.016,642 0.016,643 -0.038,644 0.01,645 0.024,646 -0.009,647 -0.043,648 -0.025,649 -0.035,650 -0.043,651 2.493,652 4.62,653 0.588,654 96.775,655 1.002,656 1.118,657 4.437,658 19.685,659 0.66,660 4.025,661 4.29,662 4.511,663 4.736,664 4.977,665 5.043,666 5.198,667 5.313,668 5.425,669 5.521,670 12.8,671 0.628,672 691.88,673 4.025,674 5.541,675 6.361,676 7.209,677 8.05,678 8.908,679 9.762,680 10.626,681 11.488,682 12.356,683 1,693 1,699 16,700 1,704 7,706 24,721 1,722 1,724 96,726 28,727 3,728 55,730 100,731 42,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 9,753 29,754 13,755 1,756 4,761 2,763 3,765 3,772 45,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 51,845 3,846 10,848 3,850 3,862 8.3,864 3,865 2,866 2,867 1,869 25.833,870 16.467,871 11.5,872 5.86,874 4.039,875 1.449,876 0.931,877 14.559,878 13.038,879 4.277,880 4.779,881 5.247,882 5.736,883 6.243,884 6.348,885 6.694,886 6.975,887 7.268,888 7.582,889 0.933,890 75,891 18.937,893 7.977,894 7.837,895 36.106,897 29.415,899 2.337,900 119.167,904 494.386,905 235.188,906 16.786,908 211.34,911 235.188,912 705.726,913 16.786,915 29.461,916 161.456,917 242.487,918 53.452,919 11.771,920 459.073,922 494.386,923 251.974,924 211.34,927 459.073,928 224.653,929 22,930 0.36,931 47.556,932 158.844,933 45.214,935 494.386,936 228.125,937 235.188,940 494.746,941 55.638,942 179.191,944 228.125,945 494.386,946 228.125,947 235.188,949 0.563,950 0.311,951 0.165,952 0.092,953 28,954 13,955 0.18,956 18,958 1,959 6.046,960 511.063,962 30,963 281.294,968 37.666,969 19.713,970 11.733,972 228.125,973 30.762,974 4.276,978 5.681,980 128.05,981 957.7,982 71,987 21.693,989 5.982,991 -0.536,994 96.159,995 107.308,996 0.213,997 0.543,998 0.752,999 0.9,1000 0.94,1001 0.943,1002 5.489,1003 2.231,1004 6.304,1005 6.121,1006 4.977,1007 5.468,1008 3.316,1009 7.047,1010 4.937,1011 6.648,1012 2.12,1013 7.816,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.847,1019 4.316,1020 7.913,1021 1.722,1022 9.431,1023 5.184,1024 6.494,1025 7.507,1026 4.555,1027 10.943,1028 6.421,1029 9.209,1030 1.699,1031 11.114,1032 4.543,1033 6.746,1034 7.869,1035 4.929,1036 12.652,1037 6.659,1038 10.539,1039 1.54,1040 12.844,1041 4.113,1042 8.292,1043 9.828,1044 6.046,1045 15.252,1046 8.187,1047 11.891,1048 1.48,1049 14.606,1050 3.863,1051 8.969,1052 10.601,1053 6.678,1054 17.331,1055 8.847,1056 13.262,1057 1.439,1058 16.392,1059 3.167,1060 10.262,1061 12.302,1062 7.64,1063 19.766,1064 10.123,1065 3.139,1066 1.414,1067 18.197,1068 3.124,1069 11.158,1070 13.306,1071 8.387,1072 22,1073 11,1074 3.016,1075 10.786,1076 20.017,1077 3.032,1078 12.34,1079 14.865,1080 9.283,1081 24.379,1082 12.165,1083 2.811,1084 10.18,1085 21.847,1086 3.968,1087 13.347,1088 16.007,1089 10.083,1090 26.679,1091 13.152,1092 2.537,1093 8.997,1094 23.687,1095 3.856,1096 14.484,1097 17.483,1098 10.951,1099 29.04,1100 14.27,1101 2.474,1102 7.399,1103 25.534,1104 3.689,1105 15.547,1106 18.708,1107 11.776,1108 31.37,1109 15.312,1110 2.338,1111 7.121,1112 27.387,1113 3.47,1114 16.668,1115 20.135,1116 12.633,1117 33.727,1118 16.414,1119 2.235,1120 6.872,1121 29.245,1122 2.975,1123 17.759,1124 21.412,1125 13.47,1126 36.072,1127 17.483,1128 58314,1129 97022,1130 37.156,1131 63.392,1132 80.731,1133 81.572,1134 81.353,1135 79.76,1136 79.725,1137 101.501,1138 17.065,1139 214.291,1140 78.004,1141 5.38,1142 5.607,1143 6.483,1144 5.182,1145 5.139,1146 6.968,1147 3.925,1148 17.864,1149 5.042,1150 24.851,1151 1.468,1152 1.483,1153 1.479,1154 1.45,1155 1.45,1156 1.845,1157 0.31,1158 3.896,1159 1.418,1160 4.047,1161 4.071,1162 3.984,1163 3.97,1164 7.477,1165 3.969,1166 3.97,1167 3.992,1168 3.915,1169 3.9,1170 7.472,1171 3.899,1172 3.903,1173 3.929,1174 3.838,1175 3.846,1176 6.469,1177 3.841,1178 3.799,1179 3.832,1180 3.736,1181 3.707,1182 6.352,1183 3.709,1184 3.765,1185 3.805,1186 3.658,1187 3.662,1188 6.35,1189 3.653,1190 3.724,1191 3.773,1192 3.598,1193 3.586,1194 4.944,1195 3.577,1196 3.635,1197 3.666,1198 3.534,1199 3.465,1200 4.872,1201 3.471,1202 3.482,1203 3.517,1204 3.383,1205 3.32,1206 4.817,1207 3.326,1208 0.08,1209 0.066,1210 0.121,1211 0.075,1212 0.057,1213 4.38,1214 0.072,1215 3.607,1216 0.043,1217 6.681,1218 0.196,1219 4.109,1220 0.055,1221 3.139,1222 3.968,1223 2.341,1224 10.786,1225 3.042,1226 1.975,1227 1.954,1228 2.082,1229 2.074,1230 1.367,1231 2.075,1232 1.956,1233 1.935,1234 2.07,1235 2.052,1236 1.326,1237 2.058,1238 1.907,1239 1.882,1240 2.029,1241 1.99,1242 1.237,1243 2.004,1244 1.781,1245 1.75,1246 1.949,1247 1.903,1248 1.148,1249 1.917,1250 1.764,1251 1.723,1252 1.948,1253 1.896,1254 1.141,1255 1.911,1256 1.717,1257 1.665,1258 1.895,1259 1.886,1260 1.015,1261 1.896,1262 1.59,1263 1.552,1264 1.804,1265 1.788,1266 0.956,1267 1.79,1268 1.443,1269 1.402,1270 1.673,1271 1.643,1272 0.906,1273 1.648,1274 4.71,1276 5.989,1278 7.456,1280 9.015,1282 10.625,1289 28.445,1290 5.209,1292 18.693,1294 -1.038,1300 60.329,1301 134.546,1302 343.572,1303 475.205,1304 569.037,1305 594.156,1306 596.156,1307 135.244,1308 8.999,1309 135.41,1310 135.41,1311 30,1312 12.903,1313 4.858,1314 4.087,1315 93.945,1316 402,1317 379,1318 0.111,1319 368.608,1320 668.84,1321 891.163,1322 138661,1324 35.84,1325 0.703,1326 0.561,1327 35.84,1328 28.603,1329 24.868,1330 0.452,1331 0.317,1332 17.241,1333 24.06,1334 16.927,1335 13.987,1336 24.868,1337 17.433,1338 21.541,1339 0.299,1340 0.174,1341 21.541,1342 12.544,1343 17.027,1344 0.189,1345 0.098,1346 17.027,1347 8.776,1348 13.807,1349 0.122,1350 0.054,1351 13.807,1352 6.05,1353 11.353,1354 0.079,1355 0.029,1356 11.353,1357 4.234,1358 0.185,1359 155.229,1360 0.164,1361 45.047,1362 0.278,1363 254,1364 764.772,1365 277.862,1366 725.485,1367 965.68,1368 678,1369 289,1370 674.931,1371 310.1,1372 679.968,1373 987.51,1374 641,1375 7.301} {0 CHEMBL435049,1 1.539,2 12.032,3 3.864,4 14.93,5 113.844,6 7.28,7 0.364,8 4.16,9 4.261,10 3.688,11 3.655,12 5.283,13 3.642,14 4.722,15 4.871,16 4.054,17 4.02,18 5.889,19 3.994,20 5.027,21 5.207,22 4.115,23 4.167,24 6.097,25 4.115,26 5.136,27 5.362,28 4.072,29 4.189,30 6.135,31 4.117,32 5.039,33 5.232,34 4.083,35 4.267,36 6.001,37 4.175,38 5.238,39 5.491,40 4.122,41 4.312,42 6.144,43 4.203,44 5.167,45 5.392,46 4.036,47 4.243,48 6.244,49 4.136,50 5.093,51 5.364,52 3.893,53 4.157,54 5.976,55 4.029,56 0.078,57 0.831,58 12.456,59 6.06,60 16.324,61 7.355,62 0.465,63 1.314,64 24.341,65 9.727,66 62.902,67 12.196,68 0.813,69 1.648,70 35.38,71 12.538,72 86.507,73 15.764,74 1.089,75 1.682,76 41.902,77 13.433,78 108.184,79 17.638,80 0.434,81 1.719,82 34.263,83 13.651,84 63.451,85 17.968,86 0.735,87 1.98,88 45.236,89 15.644,90 89.319,91 21.717,92 1.118,93 1.937,94 42.556,95 14.508,96 130.276,97 19.003,98 0.648,99 1.687,100 39.619,101 13.386,102 81.933,103 19.019,104 32,105 45,106 0.252,107 0.6,108 0.806,109 0.887,110 0.892,111 0.892,112 3.472,113 0.939,114 -4.16,115 -4.11,116 -3.88,118 40.7,119 2,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 10,175 1,177 1,180 10,181 1,185 2,186 10,191 1,194 6,195 1,197 1,198 7,203 1,206 9,207 1,210 11,215 1,218 10,219 1,221 1,222 9,227 1,229 9,230 1,233 1,234 10,239 1,242 11,247 2,248 2,255 10,256 1,258 2,259 5,262 2,264 1,267 11,268 1,270 1889,271 20.507,272 20.507,273 20.507,274 20.507,275 20.507,276 18.538,277 22.374,278 12.439,279 20.85,280 16.337,281 16.337,282 16.337,283 16.337,284 16.337,285 13.556,286 27.147,287 5.977,288 16.947,289 4.343,290 2.22,291 0.958,292 0.466,293 0.432,294 0.432,295 4.152,299 1,300 1,301 775,302 4.243,306 336.621,313 2.104,314 42.096,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 69,326 373,327 4.429,328 3.802,329 7.315,330 4.361,331 3.408,332 3.69,333 2.341,334 12.547,335 3.242,336 4.145,337 3.597,338 6.5,339 3.954,340 2.985,341 3.585,342 1.465,343 10.191,344 2.889,345 3.979,346 3.335,347 5.521,348 3.552,349 2.597,350 3.32,351 0.86,352 7.405,353 2.468,354 3.566,355 2.969,356 5.248,357 3.257,358 2.266,359 2.733,360 0.811,361 6.408,362 2.237,363 3.513,364 2.603,365 4.92,366 3.217,367 2.223,368 2.68,370 5.473,371 2.193,372 3.255,373 2.38,374 4.659,375 2.87,376 1.944,377 2.485,379 5.183,380 1.783,381 3.113,382 2.171,383 4.593,384 2.681,385 1.709,386 2.201,388 4.727,389 1.65,390 2.85,391 1.933,392 4.127,393 2.509,394 1.554,395 1.93,397 3.651,398 1.482,399 2.679,400 1.861,401 3.637,402 2.438,403 1.457,404 1.748,406 3.137,407 1.419,408 2.581,409 1.405,410 3.487,411 2.171,412 1.184,413 1.579,415 2.594,416 1.164,417 2.5,418 1.277,419 3.479,420 1.958,421 1,422 1.5,424 2.476,425 0.955,426 2.169,427 1.214,428 3.247,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 1.918,436 1,437 3.242,438 1.772,439 0.778,440 0.832,442 1.67,443 0.768,444 1.291,445 0.74,446 3.007,447 1.039,448 0.075,449 0.086,451 0.178,452 0.071,453 1.108,454 0.363,455 2.683,456 0.787,457 -0.129,458 -0.15,460 -0.36,461 -0.118,462 14.352,463 0.463,464 0.824,465 0.027,466 34.25,467 1.105,468 15,469 0.484,470 19.25,471 0.621,472 31.552,473 1.018,474 35.448,475 0.601,476 27.697,477 0.893,478 6.851,479 0.221,480 7.997,481 0.258,482 0.136,483 0.035,484 0.244,486 1,487 0.752,488 1.17,489 0.794,490 1.217,491 0.68,492 1.056,493 0.868,494 1.092,495 0.887,496 1.141,497 0.545,498 1.042,499 1.198,500 1.076,501 1.124,502 1.127,503 0.949,504 1.114,505 1.206,506 0.699,507 1.009,508 0.759,509 0.743,510 0.825,511 0.8,512 1.091,513 1.06,514 1.26,515 0.562,516 1.235,517 0.764,518 0.882,519 0.858,520 0.94,521 0.526,522 0.926,523 1.091,524 1.053,525 1.177,526 1.052,527 1.076,528 1.118,529 0.718,530 0.776,531 0.847,532 0.845,533 0.613,534 0.868,535 7,536 0.198,537 3.333,538 2.125,539 1.587,540 1.271,541 0.669,542 0.498,543 0.353,544 0.256,545 12387,546 38463,547 2.004,548 47.5,549 4,550 11,551 1,552 2,553 1,554 2,555 6,556 1,558 1.741,559 1.869,560 3.532,561 -0.361,563 1,567 90.821,568 1.539,569 3.663,570 4.925,571 5.416,572 5.45,573 5.45,574 3.112,575 4.503,576 4.915,577 3.758,578 1747.4,579 8.617,580 25367.4,582 1,584 1,585 347.076,586 1.525,587 4.873,588 0.212,589 0.007,590 0.074,591 0.047,592 0.036,593 0.028,594 0.015,595 0.012,596 0.01,597 0.008,598 0.448,599 0.33,600 1,601 1.543,602 161.821,603 -0.039,604 -0.084,605 0.038,606 -0.059,607 -0.066,608 -0.004,609 0.065,610 -0.096,611 0.032,612 -0.083,613 0.124,614 -0.042,615 -0.069,616 -0.106,617 -0.141,618 -0.125,619 -0.092,620 -0.147,621 -0.097,622 0.151,623 0.006,624 0.187,625 -0.016,626 0.132,627 -0.066,628 -0.17,629 -0.159,630 -0.218,631 -0.029,632 -0.214,633 -0.002,634 -0.026,635 0.1,636 0.024,637 0.036,638 0.075,639 -0.021,640 0.042,641 -0.177,642 -0.063,643 -0.079,644 -0.141,645 -0.022,646 0.051,647 0.108,648 0.105,649 -0.017,650 0.135,651 2.481,652 5.548,653 0.581,654 37.349,655 1.011,656 1.13,657 2.933,658 8.604,659 0.642,660 3.526,661 3.829,662 4.007,663 4.234,664 4.454,665 4.533,666 4.615,667 4.71,668 4.745,669 4.787,670 7.29,671 0.616,672 429.53,673 3.526,674 5.056,675 5.872,676 6.739,677 7.581,678 8.459,679 9.314,680 10.199,681 11.063,682 11.953,683 1.7,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 59,726 14,727 1,728 33,730 61,731 24,733 11,734 2,735 4,739 3,740 3,745 2,748 1,749 1,751 4,753 14,754 10,755 2,756 2,761 1,763 2,765 1,769 1,770 1,772 28,773 7,774 1,775 7,779 1,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 2,838 1,840 31,845 1,846 4,848 3,850 3,852 1,861 1,862 8.5,864 1,865 1,866 2,867 1,869 16.583,870 10.793,871 6.847,872 3.469,874 1.829,875 1.252,876 0.905,877 8.052,878 9.099,879 3.738,880 4.22,881 4.585,882 5.029,883 5.468,884 5.443,885 5.616,886 5.899,887 6.021,888 6.235,889 1,890 45,891 11.543,893 4.903,894 7.965,895 21.663,897 17.531,899 2.465,900 76.417,903 1,904 317.82,905 142.571,906 16.786,908 100.828,909 14.96,911 142.571,912 418.648,913 31.746,914 17.65,915 12.196,916 76.17,917 131.066,918 46.645,919 26.731,920 282.506,922 317.82,923 159.356,924 115.788,927 250.382,928 161.226,929 22,930 0.36,931 47.941,932 75.317,933 35.738,935 332.78,936 117.613,937 142.571,940 318.179,941 30.656,942 111.555,944 132.574,945 317.82,946 132.574,947 142.571,949 0.575,950 0.309,951 0.161,952 0.09,953 19,954 9,955 0.148,956 9,958 1,959 4.182,960 266.73,962 18,963 151.58,968 23.239,969 10.741,970 6.779,972 132.574,973 13.269,974 4.211,978 0.96,980 42.683,981 592.964,982 41,987 10.667,989 3.843,991 -0.814,994 59.621,995 66.698,996 0.262,997 0.623,998 0.837,999 0.921,1000 0.927,1001 0.927,1002 4.977,1003 1.554,1004 5.872,1005 4.727,1006 4.511,1007 4.905,1008 2.812,1009 6.681,1010 4.433,1011 6.152,1012 1.457,1013 7.434,1014 3.651,1015 4.205,1016 4.559,1017 2.243,1018 7.84,1019 4.077,1020 7.436,1021 1.184,1022 9.117,1023 3.137,1024 6.138,1025 6.887,1026 3.888,1027 10.873,1028 5.979,1029 8.75,1030 1,1031 10.879,1032 2.594,1033 6.661,1034 7.256,1035 4.112,1036 12.911,1037 6.444,1038 10.095,1039 1,1040 12.696,1041 2.476,1042 8.115,1043 9.134,1044 5.312,1045 15.558,1046 7.865,1047 11.463,1048 0.778,1049 14.553,1050 2.136,1051 9.018,1052 9.85,1053 5.889,1054 17.906,1055 8.708,1056 12.848,1057 0.075,1058 16.439,1059 1.67,1060 10.297,1061 11.515,1062 6.893,1063 20.451,1064 9.949,1065 3.408,1066 -0.129,1067 18.346,1068 0.178,1069 11.372,1070 12.429,1071 7.625,1072 22.905,1073 10.965,1074 2.985,1075 12.547,1076 20.27,1077 -0.36,1078 12.593,1079 13.969,1080 8.544,1081 25.426,1082 12.142,1083 2.597,1084 10.191,1085 22.206,1086 3.69,1087 13.742,1088 15.006,1089 9.342,1090 27.92,1091 13.235,1092 2.266,1093 7.405,1094 24.152,1095 3.585,1096 14.949,1097 16.467,1098 10.223,1099 30.437,1100 14.394,1101 2.223,1102 6.408,1103 26.105,1104 3.32,1105 16.132,1106 17.584,1107 11.051,1108 32.948,1109 15.523,1110 1.944,1111 5.473,1112 28.064,1113 2.733,1114 17.337,1115 18.991,1116 11.915,1117 35.467,1118 16.679,1119 1.709,1120 5.183,1121 30.028,1122 2.68,1123 18.537,1124 20.163,1125 12.755,1126 37.985,1127 17.825,1128 12276,1129 21733,1130 21.553,1131 37.875,1132 49.19,1133 49.844,1134 49.598,1135 48.486,1136 48.358,1137 59.007,1138 10.954,1139 135.55,1140 46.448,1141 5.429,1142 5.802,1143 7.117,1144 5.435,1145 5.408,1146 6.69,1147 3.925,1148 19.982,1149 5.242,1150 16.742,1151 1.491,1152 1.51,1153 1.503,1154 1.469,1155 1.465,1156 1.788,1157 0.332,1158 4.108,1159 1.408,1160 3.986,1161 4.012,1162 3.92,1163 3.865,1164 8.201,1165 3.872,1166 3.891,1167 3.917,1168 3.837,1169 3.801,1170 7.474,1171 3.805,1172 3.759,1173 3.803,1174 3.663,1175 3.645,1176 6.351,1177 3.64,1178 3.696,1179 3.731,1180 3.596,1181 3.534,1182 4.945,1183 3.541,1184 3.554,1185 3.601,1186 3.434,1187 3.399,1188 4.835,1189 3.396,1190 3.324,1191 3.353,1192 3.215,1193 3.111,1194 4.684,1195 3.129,1196 2.967,1197 3.016,1198 2.854,1199 2.795,1200 4.379,1201 2.791,1202 2.954,1203 3.009,1204 2.827,1205 2.733,1206 4.279,1207 2.739,1208 0.134,1209 0.115,1210 0.222,1211 0.132,1212 0.103,1213 4.429,1214 0.112,1215 3.802,1216 0.071,1217 7.315,1218 0.38,1219 4.361,1220 0.098,1221 3.408,1222 3.69,1223 2.341,1224 12.547,1225 3.242,1226 1.909,1227 1.882,1228 2.048,1229 2.058,1230 1.362,1231 2.052,1232 1.866,1233 1.843,1234 1.977,1235 1.98,1236 1.148,1237 1.979,1238 1.749,1239 1.706,1240 1.926,1241 1.894,1242 1.108,1243 1.906,1244 1.658,1245 1.62,1246 1.868,1247 1.843,1248 1.003,1249 1.849,1250 1.534,1251 1.484,1252 1.772,1253 1.725,1254 0.935,1255 1.742,1256 1.252,1257 1.216,1258 1.494,1259 1.506,1260 0.647,1261 1.495,1262 0.94,1263 0.888,1264 1.417,1265 1.239,1266 0.469,1267 1.308,1268 0.934,1269 0.812,1270 1.215,1271 1.213,1272 0.397,1273 1.2,1274 4.205,1276 5.509,1278 7.002,1280 8.585,1282 10.219,1284 3.685,1286 13.548,1289 8.765,1290 1.701,1292 18.356,1294 -0.91,1296 -0.865,1300 36.354,1301 90.821,1302 216.105,1303 290.547,1304 319.566,1305 321.566,1306 321.566,1307 82.708,1308 7.27,1309 77.88,1310 77.88,1311 18,1312 12.488,1313 3.907,1314 3.17,1315 57.989,1316 129,1317 158,1318 0.211,1319 223.361,1320 404.78,1321 536.761,1322 13176,1323 1.7,1324 22.269,1325 0.718,1326 0.572,1327 21.399,1328 17.739,1329 14.848,1330 0.45,1331 0.313,1332 10.166,1333 14.153,1334 9.9,1335 8.195,1336 14.454,1337 10.333,1338 13.694,1339 0.304,1340 0.179,1341 13.061,1342 8.071,1343 10.125,1344 0.187,1345 0.093,1346 9.805,1347 5.048,1348 8.268,1349 0.122,1350 0.052,1351 7.914,1352 3.511,1353 6.495,1354 0.076,1355 0.028,1356 6.388,1357 2.369,1358 0.332,1359 94.096,1360 0.215,1361 29.304,1362 0.581,1363 156,1364 554.848,1365 178.49,1366 491.382,1367 642.55,1368 458,1369 177,1370 445.385,1371 198.241,1372 438.184,1373 637.49,1374 410,1375 7.585} {0 CHEMBL435412,1 1.839,2 11.407,3 3.789,4 14.359,5 93.358,6 8.475,7 0.429,8 3.911,9 4.014,10 3.547,11 3.385,12 5.196,13 3.406,14 4.433,15 4.584,16 3.924,17 3.714,18 6.155,19 3.717,20 4.643,21 4.852,22 3.863,23 3.796,24 5.876,25 3.775,26 4.665,27 4.88,28 3.864,29 3.718,30 5.968,31 3.729,32 4.592,33 4.776,34 3.882,35 3.698,36 5.92,37 3.724,38 4.607,39 4.798,40 3.851,41 3.724,42 5.959,43 3.719,44 4.619,45 4.82,46 3.848,47 3.699,48 6.062,49 3.673,50 4.581,51 4.824,52 3.696,53 3.592,54 5.976,55 3.556,56 0.267,57 0.839,58 7.207,59 4.36,60 42.636,61 4.661,62 1.004,63 1.573,64 15.758,65 6.788,66 174.353,67 7.819,68 0.78,69 1.355,70 22.38,71 7.946,72 102.048,73 10.078,74 1.011,75 1.391,76 24.485,77 7.663,78 140.759,79 8.91,80 0.93,81 1.312,82 21.239,83 7.136,84 112.749,85 7.978,86 0.969,87 1.32,88 21.295,89 7.162,90 118.349,91 8.586,92 1.173,93 1.321,94 22.089,95 7.418,96 113.403,97 9.394,98 0.991,99 1.418,100 23.083,101 7.248,102 132.099,103 9.054,104 37,105 37,106 0.32,107 0.645,108 0.8,109 0.897,110 0.897,111 0.897,112 3.339,113 0.883,114 -4.56,115 -4.49,116 -4.22,118 40,120 4,124 1,131 1,140 5,141 3,143 2,153 1,154 1,162 2,163 1,167 1,168 10,169 1,172 6,175 1,177 1,180 9,181 1,186 10,191 1,194 7,195 1,197 1,198 9,203 1,206 4,207 1,209 2,210 9,215 1,218 5,221 1,222 6,223 1,229 6,233 1,234 4,235 1,237 1,242 7,246 1,247 3,250 1,255 8,259 2,267 6,268 2,270 1439,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.896,277 12.655,278 10.954,279 18.131,280 13.872,281 13.872,282 13.872,283 13.872,284 13.872,285 11.204,286 9.782,287 5.263,288 14.618,289 3.653,290 1.778,291 0.886,292 0.328,293 0.328,294 0.328,295 4.004,298 1,299 1,300 1,301 626,302 4.528,306 207.942,313 1.652,314 50.136,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 63,326 308,327 4.497,328 4.46,329 7.119,330 4.2,331 3.327,332 4.031,333 3.825,334 11.708,335 3.024,336 4.287,337 3.999,338 6.494,339 3.947,340 2.982,341 3.669,342 2.373,343 10.157,344 2.778,345 3.679,346 3.596,347 5.279,348 3.241,349 2.261,350 3.099,351 2.341,352 6.538,353 2.222,354 3.55,355 2.942,356 4.659,357 3.232,358 2.236,359 2.71,361 5.184,362 2.174,363 3.252,364 2.347,365 4.601,366 2.807,367 1.859,368 2.489,370 4.715,371 1.751,372 2.834,373 1.924,374 4.099,375 2.666,376 1.706,377 1.918,379 3.746,380 1.62,381 2.797,382 1.785,383 3.771,384 2.339,385 1.38,386 1.852,388 3.324,389 1.308,390 2.595,391 1.463,392 3.507,393 2.276,394 1.314,395 1.608,397 2.774,398 1.254,399 2.558,400 1.318,401 3.471,402 2.093,403 1.113,404 1.539,406 2.532,407 1.078,408 2.5,409 1.171,410 3.247,411 1.96,412 1,413 1.5,415 2.136,416 0.957,417 2.138,418 1,419 3.194,420 1.825,421 0.85,422 1.04,424 1.941,425 0.824,426 1.517,427 0.875,428 2.751,429 1.343,430 0.371,431 0.414,433 0.824,434 0.357,435 0.968,436 0.661,437 2.679,438 0.781,439 -0.212,440 -0.227,442 -0.463,443 -0.208,444 0.756,445 0.51,446 2.302,447 0.331,448 -0.651,449 -0.847,451 -1.549,452 -0.636,453 0.649,454 0.51,455 2.162,456 0.212,457 -0.747,458 -0.889,460 -1.662,461 -0.7,462 12.057,463 0.447,464 0.71,465 0.026,466 31.5,467 1.167,468 15,469 0.556,470 16.5,471 0.611,472 21.809,473 0.808,474 31.143,475 0.692,476 26.627,477 0.986,478 6.592,479 0.244,480 6.284,481 0.233,482 0.126,483 0.041,484 0.207,485 3,487 0.594,488 0.96,489 0.654,490 1.12,491 0.628,492 0.989,493 0.489,494 0.855,495 0.749,496 1.126,497 0.374,498 1.088,499 0.742,500 0.905,501 0.816,502 1.012,503 0.637,504 0.973,505 1.12,506 0.996,507 0.991,508 0.917,509 1,510 0.89,511 1.118,512 0.976,513 0.984,514 0.948,515 0.903,516 0.921,517 0.93,518 0.852,519 1.026,520 1.007,521 0.836,522 1.056,523 0.618,524 1.006,525 0.9,526 1.07,527 0.664,528 1.11,529 0.907,530 1.09,531 1.02,532 1.046,533 0.966,534 1.077,535 5.5,536 0.157,537 2.667,538 1.563,539 0.871,540 0.771,541 0.607,542 0.408,543 0.23,544 0.158,545 8344,546 35120,547 1.946,548 40,549 4,550 7,552 2,553 1,554 2,555 2,558 1.703,559 1.81,560 3.425,561 -0.236,563 1,567 82.751,568 1.839,569 3.714,570 4.606,571 5.164,572 5.164,573 5.164,574 2.844,575 4.282,576 4.718,577 3.669,578 1287.65,579 8.207,580 17316.4,582 1,584 1,585 247.133,586 1.525,587 4.669,588 0.196,589 0.009,590 0.072,591 0.043,592 0.025,593 0.021,594 0.018,595 0.013,596 0.009,597 0.008,598 0.414,599 0.17,600 1,601 2.138,602 135.709,603 0.015,604 0.014,605 0.016,606 0.006,607 -0.065,608 0.001,609 0.341,610 0.19,611 0.079,612 -0.055,613 0.427,614 -0.101,615 -0.053,616 -0.148,617 0.085,618 -0.028,619 -0.001,620 0.057,621 -0.178,622 -0.065,623 -0.009,624 0.041,625 -0.127,626 0.089,627 -0.178,628 -0.093,629 -0.05,630 0.019,631 -0.12,632 0.035,633 -0.054,634 0.041,635 -0.108,636 -0.038,637 -0.07,638 -0.092,639 0.22,640 -0.142,641 0.038,642 -0.101,643 0.101,644 -0.118,645 0.035,646 -0.021,647 -0.004,648 -0.073,649 -0.001,650 -0.072,651 5.72,652 4.98,653 0.444,654 28.752,655 1.04,656 1.153,657 3.334,658 11.116,659 0.645,660 3.367,661 3.638,662 3.761,663 3.932,664 4.127,665 4.127,666 4.248,667 4.205,668 4.174,669 4.111,670 6.933,671 0.647,672 381.39,673 3.367,674 4.875,675 5.666,676 6.515,677 7.336,678 8.193,679 9.031,680 9.894,681 10.742,682 11.609,683 6.7,692 1,693 2,699 7,700 2,704 3,706 12,709 1,724 45,726 14,727 1,728 28,730 46,731 18,733 10,734 2,735 4,736 1,739 2,740 2,745 1,750 1,751 4,753 12,754 6,756 2,761 1,764 1,765 2,769 1,770 3,772 18,773 9,774 1,775 9,779 3,784 1,785 3,794 1,802 2,818 1,830 1,832 2,838 3,840 27,845 1,846 5,848 1,852 1,861 3,862 6.7,864 1,865 1,867 1,869 14.917,870 7.895,871 6.056,872 2.685,874 2.084,875 1.316,876 0.908,877 7.6,878 8.679,879 3.611,880 4.111,881 4.564,882 5.067,883 5.583,884 5.714,885 6.099,886 6.274,887 6.458,888 6.61,889 1,890 36,891 10.401,893 4.748,894 8.485,895 17.913,897 13.878,899 2.985,900 80.583,903 1,904 200.109,905 101.189,906 52.726,908 79.047,909 44.88,911 101.189,912 279.156,913 97.606,915 14.731,916 47.381,917 128.363,918 103.151,920 176.567,921 7.76,922 200.109,923 153.915,924 123.927,927 176.567,928 147.47,931 59.985,932 60.605,933 33.326,935 244.989,936 131.773,937 101.189,940 207.868,941 27.954,942 65.476,944 176.653,945 200.109,946 176.653,947 101.189,949 0.568,950 0.295,951 0.148,952 0.083,953 14,954 7,955 0.196,956 9,958 1,959 3.857,960 207.68,962 12,963 123.627,968 20.698,969 9.914,970 6.897,972 176.653,973 9.144,974 7.372,978 -0.081,980 42.683,981 477.951,982 36,987 10.445,990 3.985,991 -0.646,994 46.778,995 51.879,996 0.335,997 0.676,998 0.839,999 0.94,1000 0.94,1001 0.94,1002 4.82,1003 1.314,1004 5.659,1005 3.324,1006 4.317,1007 4.796,1008 3.705,1009 6.444,1010 4.217,1011 6.01,1012 1.113,1013 7.21,1014 2.774,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.714,1020 7.302,1021 1,1022 8.89,1023 2.532,1024 5.927,1025 6.873,1026 5.787,1027 10.604,1028 5.695,1029 8.634,1030 0.85,1031 10.654,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.017,1038 10.002,1039 0.371,1040 12.473,1041 1.941,1042 7.907,1043 9.255,1044 8.215,1045 15.219,1046 7.487,1047 11.397,1048 -0.212,1049 14.33,1050 0.824,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.207,1056 12.811,1057 -0.651,1058 16.212,1059 -0.463,1060 10.084,1061 11.793,1062 10.797,1063 19.995,1064 9.454,1065 3.327,1066 -0.747,1067 18.111,1068 -1.549,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.368,1074 2.982,1075 11.708,1076 20.023,1077 -1.662,1078 12.361,1079 14.417,1080 13.441,1081 24.831,1082 11.518,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.525,1092 2.236,1093 6.538,1094 23.871,1095 3.669,1096 14.685,1097 17.094,1098 16.109,1099 29.695,1100 13.636,1101 1.859,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.686,1110 1.706,1111 4.715,1112 27.739,1113 2.71,1114 17.035,1115 19.803,1116 18.786,1117 34.574,1118 15.783,1119 1.38,1120 3.746,1121 29.678,1122 2.489,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.854,1128 8556,1129 17732,1130 17.97,1131 29.046,1132 41.551,1133 42.004,1134 41.026,1135 41.056,1136 40.8,1137 51.74,1138 17.079,1139 111.157,1140 38.694,1141 5.405,1142 6.46,1143 6.981,1144 5.234,1145 5.327,1146 7.031,1147 6.198,1148 18.823,1149 5.024,1150 15.574,1151 1.484,1152 1.5,1153 1.465,1154 1.466,1155 1.457,1156 1.848,1157 0.61,1158 3.97,1159 1.382,1160 3.992,1161 4.02,1162 3.955,1163 3.913,1164 8.513,1165 3.917,1166 3.793,1167 3.838,1168 3.75,1169 3.662,1170 7.999,1171 3.674,1172 3.751,1173 3.803,1174 3.617,1175 3.605,1176 7.999,1177 3.596,1178 3.495,1179 3.53,1180 3.41,1181 3.258,1182 7.474,1183 3.276,1184 3.346,1185 3.389,1186 3.331,1187 3.078,1188 6.351,1189 3.124,1190 3.173,1191 3.218,1192 3.105,1193 2.911,1194 5.087,1195 2.942,1196 3.002,1197 3.055,1198 2.85,1199 2.75,1200 4.878,1201 2.77,1202 2.772,1203 2.854,1204 2.628,1205 2.608,1206 4.624,1207 2.601,1208 0.161,1209 0.159,1210 0.254,1211 0.15,1212 0.119,1213 4.497,1214 0.144,1215 4.46,1216 0.137,1217 7.119,1218 0.418,1219 4.2,1220 0.108,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.024,1226 1.944,1227 1.922,1228 2.028,1229 2.042,1230 1.329,1231 2.036,1232 1.747,1233 1.703,1234 1.986,1235 1.921,1236 1.141,1237 1.942,1238 1.732,1239 1.682,1240 1.841,1241 1.894,1242 0.94,1243 1.879,1244 1.417,1245 1.372,1246 1.676,1247 1.681,1248 0.867,1249 1.67,1250 1.161,1251 1.125,1252 1.297,1253 1.466,1254 0.453,1255 1.384,1256 1.034,1257 0.987,1258 1.217,1259 1.36,1260 0.304,1261 1.308,1262 0.938,1263 0.887,1264 1.198,1265 1.203,1266 0.248,1267 1.198,1268 0.766,1269 0.693,1270 1.049,1271 0.99,1272 0.073,1273 1.014,1274 4.043,1276 5.323,1278 6.786,1280 8.336,1282 9.939,1286 38.941,1289 8.576,1290 2.067,1292 5.248,1296 -4.47,1300 29.1,1301 82.751,1302 167.143,1303 207.259,1304 232.379,1305 232.379,1306 232.379,1307 86.437,1308 6.596,1309 84.67,1310 84.67,1311 12,1312 12.159,1313 3.907,1314 3.17,1315 58.332,1316 103,1317 137,1318 0.256,1319 181.193,1320 329.9,1321 433.87,1322 5362,1323 6.7,1324 19.7,1325 0.73,1326 0.53,1327 17.2,1328 14.316,1329 12.876,1330 0.46,1331 0.294,1332 8.061,1333 12.075,1334 7.987,1335 6.603,1336 11.665,1337 8.242,1338 11.791,1339 0.319,1340 0.154,1341 9.833,1342 5.687,1343 8.119,1344 0.193,1345 0.086,1346 7.157,1347 3.603,1348 6.285,1349 0.126,1350 0.046,1351 5.751,1352 2.275,1353 5.039,1354 0.083,1355 0.023,1356 4.484,1357 1.432,1358 0.406,1359 83.115,1360 0.236,1361 26.297,1362 0.692,1363 130,1364 654.889,1365 158.82,1366 541.432,1367 686,1368 498,1369 144,1370 466.629,1371 165.203,1372 445.531,1373 653.36,1374 416,1375 5} {0 CHEMBL435590,1 1.534,2 14.067,3 4.774,4 22.792,5 118.386,6 6.978,7 0.387,8 4.173,9 4.289,10 3.802,11 3.733,12 5.18,13 3.658,14 4.741,15 4.922,16 4.027,17 4.109,18 5.946,19 3.994,20 5.048,21 5.283,22 4.017,23 4.257,24 5.988,25 4.093,26 5.14,27 5.402,28 3.903,29 4.224,30 6.066,31 4.044,32 5.098,33 5.37,34 3.857,35 4.173,36 5.97,37 3.995,38 5.062,39 5.321,40 3.832,41 4.149,42 5.983,43 3.978,44 5.067,45 5.327,46 3.811,47 4.119,48 6.025,49 3.956,50 4.99,51 5.248,52 3.832,53 4.085,54 5.932,55 3.921,56 0.1,57 0.866,58 17.375,59 6.572,60 19.485,61 8.469,62 0.416,63 1.37,64 28.087,65 10.984,66 80.612,67 14.571,68 0.304,69 1.706,70 41.126,71 14.811,72 69.665,73 19.497,74 0.471,75 1.752,76 45.303,77 15.044,78 97.54,79 20.292,80 0.428,81 1.657,82 42.098,83 14.306,84 83.038,85 19.608,86 0.432,87 1.607,88 42.351,89 14.136,90 88.168,91 18.873,92 0.556,93 1.587,94 40.558,95 13.035,96 106.812,97 17.858,98 0.42,99 1.523,100 39.645,101 12.806,102 78.107,103 17.148,104 29,105 40,106 0.249,107 0.544,108 0.74,109 0.862,110 0.879,111 0.879,112 3.439,113 1.163,114 -3.91,115 -3.87,116 -3.67,118 37.1,119 1,120 8,121 1,124 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 16,169 1,171 1,172 3,175 3,177 2,180 17,181 1,186 7,191 4,194 15,195 1,198 8,203 4,206 10,207 2,210 7,215 4,218 10,219 2,222 7,227 5,229 10,230 2,234 6,239 4,242 10,243 1,247 7,252 2,253 1,255 9,256 1,259 6,260 1,262 1,263 1,264 2,267 9,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 13.662,278 12.194,279 20.007,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 6.148,287 5.838,288 15.707,289 4.42,290 2.599,291 1.388,292 0.637,293 0.528,294 0.528,295 4.106,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 37.841,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 65,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.065,336 3.898,337 3.597,338 5.37,339 3.558,340 2.562,341 3.444,343 7.047,344 2.552,345 3.835,346 2.725,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.612,355 2.562,356 5.149,357 3.4,358 2.401,359 2.74,361 6.32,362 2.398,363 3.391,364 2.465,365 4.733,366 3.141,367 2.135,368 2.427,370 5.057,371 2.121,372 3.085,373 1.933,374 4.611,375 2.711,376 1.732,377 2.292,379 4.77,380 1.691,381 2.936,382 1.636,383 3.745,384 2.555,385 1.572,386 2.101,388 3.356,389 1.546,390 2.651,391 1.568,392 3.665,393 2.487,394 1.504,395 1.647,397 3.199,398 1.474,399 2.5,400 1.189,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.083,408 2.5,409 1.099,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.816,430 0.838,431 0.877,433 1.81,434 0.815,435 1.544,436 0.798,437 2.861,438 1.414,439 0.42,440 0.448,442 0.924,443 0.414,444 1.12,445 0.431,446 2.693,447 0.951,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.348,455 2.543,456 0.758,457 -0.222,458 -0.273,460 -0.488,461 -0.215,462 14.467,463 0.482,464 0.721,465 0.024,466 33.75,467 1.125,468 16.5,469 0.55,470 17.25,471 0.575,472 29.805,473 0.993,474 34.733,475 0.56,476 24.384,477 0.813,478 6.013,479 0.2,480 8.352,481 0.278,482 0.127,483 0.058,484 0.173,487 0.593,488 1.346,489 0.926,490 1.302,491 0.675,492 1.107,493 0.456,494 1.18,495 0.944,496 1.133,497 0.422,498 1.145,499 0.816,500 1.139,501 1.095,502 1.157,503 0.78,504 1.104,505 1.012,506 1.002,507 1.073,508 1.026,509 0.991,510 1.027,511 0.918,512 0.926,513 0.911,514 0.919,515 0.929,516 0.955,517 1.029,518 1.015,519 1.094,520 1.057,521 1.009,522 1.013,523 1.31,524 0.894,525 0.994,526 0.848,527 1.308,528 0.965,529 1.079,530 0.983,531 1.098,532 1.013,533 1.017,534 0.979,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 35934,547 1.951,548 51.6,549 16,550 8,552 2,553 2,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.21,567 95.118,568 1.534,569 3.355,570 4.566,571 5.317,572 5.426,573 5.426,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 369.16,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.061,604 -0.063,605 0.182,606 -0.024,607 -0.088,608 0.028,609 0.295,610 -0.039,611 0.01,612 -0.055,613 0.293,614 -0.093,615 -0.041,616 -0.113,617 -0.059,618 -0.086,619 -0.008,620 -0.076,621 -0.091,622 -0.038,623 -0.074,624 -0.043,625 -0.058,626 -0.046,627 -0.052,628 0.011,629 0.015,630 0.02,631 -0.054,632 0.022,633 -0.081,634 -0.061,635 -0.075,636 -0.054,637 -0.062,638 -0.025,639 -0.182,640 0.048,641 -0.077,642 0.049,643 -0.18,644 -0.021,645 -0.101,646 0.001,647 -0.053,648 -0.012,649 -0.091,650 -0.003,651 4.394,652 5.313,653 0.4,654 34.133,655 0.997,656 1.129,657 2.68,658 7.183,659 0.644,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.597,672 432.64,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.2,685 1,693 1,699 8,700 1,704 3,706 12,724 62,726 15,727 1,728 31,730 63,731 23,733 11,734 2,735 4,739 2,740 2,745 1,751 8,753 12,754 11,755 1,756 3,760 1,761 3,765 1,772 32,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,840 30,844 1,845 1,846 9,847 1,850 1,862 6.5,864 1,865 3,869 16.417,870 10.817,871 6.792,872 3.933,874 1.666,875 1.25,876 0.92,877 10.158,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.361,893 4.861,894 7.931,895 21.473,897 17.421,899 2.431,900 72.917,903 1,904 353.133,905 120.799,906 33.191,908 112.141,910 5.807,911 114.991,912 465.274,913 33.191,914 8.825,915 22.382,916 79.07,917 153.379,918 26.017,920 329.591,922 353.133,923 148.182,924 112.141,925 5.807,927 329.591,928 135.683,931 65.707,932 65.689,933 22.593,935 353.133,936 145.332,937 120.799,939 5.807,940 353.133,941 31.214,942 83.778,943 16.405,944 128.927,945 353.133,946 145.332,947 120.799,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.222,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.207,969 12.59,970 9.537,972 145.332,973 14.4,974 4.124,978 2.493,980 59.088,981 619.263,982 40,986 -3.478,987 35.582,991 -0.766,994 61.843,995 69.982,996 0.258,997 0.564,998 0.767,999 0.893,1000 0.911,1001 0.911,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.258,1009 6.447,1010 4.34,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.862,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.628,1027 10.542,1028 5.814,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.137,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.201,1045 15.247,1046 7.581,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.285,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.519,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.419,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.565,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.566,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.68,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.733,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.839,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.92,1128 12899,1129 21674,1130 20.049,1131 39.898,1132 44.316,1133 45.701,1134 45.114,1135 44.275,1136 44.219,1137 56.516,1138 4.682,1139 117.127,1140 43.148,1141 5.81,1142 6.683,1143 7.095,1144 5.331,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.065,1150 16.666,1151 1.43,1152 1.474,1153 1.455,1154 1.428,1155 1.426,1156 1.823,1157 0.151,1158 3.778,1159 1.392,1160 4.081,1161 4.067,1162 4.735,1163 4.067,1164 7.717,1165 3.981,1166 3.92,1167 3.962,1168 3.838,1169 3.825,1170 7.474,1171 3.819,1172 3.808,1173 3.858,1174 3.727,1175 3.699,1176 6.999,1177 3.689,1178 3.704,1179 3.731,1180 3.688,1181 3.613,1182 6.351,1183 3.555,1184 3.545,1185 3.567,1186 3.444,1187 3.398,1188 4.896,1189 3.371,1190 3.477,1191 3.53,1192 3.334,1193 3.311,1194 4.705,1195 3.307,1196 3.23,1197 3.289,1198 3.074,1199 3.043,1200 4.243,1201 3.039,1202 3.052,1203 3.134,1204 2.854,1205 2.869,1206 4.082,1207 2.841,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.065,1226 1.974,1227 1.977,1228 2.09,1229 2.047,1230 1.479,1231 2.086,1232 1.899,1233 1.856,1234 2.026,1235 2.021,1236 1.26,1237 2.044,1238 1.809,1239 1.762,1240 1.982,1241 1.948,1242 1.192,1243 1.963,1244 1.638,1245 1.603,1246 1.856,1247 1.821,1248 1.128,1249 1.846,1250 1.468,1251 1.453,1252 1.716,1253 1.684,1254 0.898,1255 1.692,1256 1.455,1257 1.405,1258 1.558,1259 1.621,1260 0.825,1261 1.669,1262 1.208,1263 1.146,1264 1.51,1265 1.434,1266 0.702,1267 1.463,1268 1.043,1269 0.972,1270 1.32,1271 1.299,1272 0.532,1273 1.333,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1284 1.918,1289 9.005,1290 6.644,1291 2.655,1294 0.339,1300 36.991,1301 95.118,1302 208.033,1303 283.121,1304 329.65,1305 336.405,1306 336.405,1307 101.05,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 236.82,1320 417.13,1321 569.601,1322 7051,1324 21.822,1325 0.727,1326 0.613,1327 22.072,1328 18.404,1329 14.365,1330 0.463,1331 0.388,1332 10.574,1333 13.177,1334 10.177,1335 8.521,1336 15.186,1337 12.02,1338 12.817,1339 0.32,1340 0.238,1341 14.14,1342 9.526,1343 9.156,1344 0.208,1345 0.152,1346 10.264,1347 6.707,1348 6.609,1349 0.138,1350 0.095,1351 7.476,1352 4.541,1353 5.081,1354 0.092,1355 0.06,1356 5.799,1357 3.278,1358 0.35,1359 97.483,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 424.195,1365 190.391,1366 429.537,1367 558.19,1368 392,1369 155,1370 357.319,1371 208.215,1372 399.166,1373 564.44,1374 372,1375 9} {0 CHEMBL43731,1 1.461,2 9.95,3 3.687,4 13.592,5 79.116,6 6.809,7 0.476,8 3.752,9 3.877,10 3.227,11 3.275,12 4.838,13 3.235,14 4.277,15 4.468,16 3.519,17 3.639,18 5.382,19 3.56,20 4.511,21 4.753,22 3.472,23 3.742,24 5.439,25 3.618,26 4.581,27 4.834,28 3.313,29 3.706,30 5.485,31 3.552,32 4.521,33 4.81,34 3.073,35 3.575,36 5.3,37 3.383,38 4.364,39 4.65,40 2.981,41 3.426,42 5.166,43 3.248,44 4.226,45 4.5,46 2.909,47 3.309,48 5.081,49 3.147,50 4.108,51 4.379,52 2.826,53 3.191,54 5.009,55 3.038,56 0.03,57 0.556,58 8.928,59 3.772,60 7.479,61 5.17,62 0.202,63 0.879,64 15.915,65 6.148,66 33.499,67 8.772,68 0.139,69 1.017,70 20.605,71 7.758,72 25.925,73 11.231,74 0.258,75 1.021,76 22.77,77 8.009,78 45.339,79 11.526,80 0.222,81 0.933,82 21.585,83 7.537,84 36.75,85 11.172,86 0.194,87 0.791,88 18.447,89 6.442,90 32.346,91 9.481,92 0.175,93 0.697,94 16.024,95 5.523,96 29.343,97 8.084,98 0.16,99 0.614,100 14.244,101 4.878,102 27.989,103 7.103,104 18,105 27,106 0.262,107 0.617,108 0.796,109 0.869,110 0.887,111 0.887,112 3.055,113 0.998,114 -3.84,115 -3.8,116 -3.61,118 40,119 1,120 5,133 1,134 1,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 4,175 1,177 1,180 8,181 2,186 5,191 2,194 7,195 1,198 5,203 1,206 7,207 1,210 3,215 1,218 6,219 1,222 3,227 1,229 5,230 1,234 3,239 1,242 4,243 1,247 3,252 1,255 3,259 2,260 1,267 3,268 1,270 496,271 13.449,272 13.449,273 13.449,274 13.449,275 13.449,276 11.811,277 7.936,278 8.269,279 13.618,280 10.356,281 10.356,282 10.356,283 10.356,284 10.356,285 7.955,286 3.467,287 3.904,288 10.638,289 3.861,290 1.878,291 0.875,292 0.469,293 0.369,294 0.369,295 3.717,298 1,299 1,300 1,301 414,302 3.674,305 46.004,306 58.922,309 87.668,313 1.565,314 15.756,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 43,326 199,327 4.509,328 3.593,329 6.512,330 3.986,331 3.045,332 4.457,333 1.437,334 10.214,335 2.865,336 4.032,337 3.117,338 5.736,339 3.647,340 2.644,341 3.377,343 7.414,344 2.637,345 3.5,346 2.3,347 5.203,348 3.119,349 2.139,350 2.877,352 6.251,353 2.095,354 3.048,355 2.25,356 4.139,357 2.748,358 1.75,359 2.321,361 3.74,362 1.742,363 2.943,364 1.702,365 3.882,366 2.516,367 1.548,368 1.93,370 3.581,371 1.495,372 2.653,373 1.548,374 3.6,375 2.323,376 1.323,377 1.61,379 2.875,380 1.312,381 2.5,382 1.261,383 3.407,384 1.935,385 1,386 1.5,388 2.236,389 0.93,390 2.196,391 1,392 3.256,393 1.914,394 0.933,395 1.111,397 2.066,398 0.91,399 1.894,400 0.806,401 2.934,402 1.562,403 0.59,404 0.745,406 1.36,407 0.571,408 1.318,409 0.437,410 2.496,411 1.156,412 0.164,413 0.183,415 0.353,416 0.162,417 0.901,418 0.32,419 2.277,420 0.621,421 -0.372,422 -0.437,424 -0.845,425 -0.369,426 0.522,427 -0.186,428 1.939,429 0.202,430 -0.786,431 -0.949,433 -1.762,434 -0.775,435 0.5,436 -0.699,437 1.688,439 -1,440 -1.266,442 -2,443 -0.947,444 0.414,445 -0.977,446 1.506,447 -0.049,448 -1,449 -1.5,451 -2.427,452 -0.961,453 -0.002,454 -1,455 1.389,456 -0.265,457 -1.256,458 -1.508,460 -2.888,461 -1.248,462 9.467,463 0.473,464 0.404,465 0.02,466 23.25,467 1.163,468 11,469 0.55,470 12.25,471 0.613,472 15.875,473 0.794,474 22.333,475 0.558,476 14.077,477 0.704,478 4.462,479 0.223,480 5.219,481 0.261,482 0.123,484 0.254,487 0.795,488 1.389,489 0.889,490 1.172,491 0.701,492 1.064,493 0.493,494 1.179,495 0.907,496 1.113,497 0.355,498 1.07,499 0.674,500 1.078,501 0.94,502 1.081,503 0.543,504 1.048,505 1.105,506 1.027,507 1.133,508 1.045,509 1.13,510 1.091,511 0.8,512 0.922,513 1.023,514 0.987,515 0.774,516 1.027,517 0.85,518 0.891,519 0.97,520 0.937,521 0.855,522 0.967,523 0.974,524 0.926,525 1.026,526 0.963,527 0.976,528 0.996,529 1.043,530 0.922,531 1.009,532 0.943,533 1.088,534 0.969,535 3,536 0.116,537 2.222,538 0.813,539 0.533,540 0.281,541 0.198,542 0.115,543 0.089,544 0.11,545 4218,546 11774,547 1.995,548 50,549 11,550 4,552 2,553 1,554 2,558 1.607,559 1.875,560 3.271,561 -0.32,563 1,565 1,567 58.439,568 1.461,569 3.444,570 4.446,571 4.853,572 4.953,573 4.953,574 2.623,575 4.022,576 4.297,577 3.486,578 662.431,579 7.284,580 7414.78,581 1,582 1,583 1,584 1,585 212.877,586 1.353,587 4.255,588 0.143,589 0.009,590 0.082,591 0.032,592 0.027,593 0.019,594 0.014,595 0.009,596 0.007,597 0.009,598 0.352,599 0.67,600 1,601 2.355,602 92.118,603 -0.045,604 -0.17,605 0.025,606 -0.036,607 -0.04,608 -0.007,609 0.225,610 -0.05,611 0.022,612 -0.061,613 0.252,614 -0.051,615 -0.007,616 -0.062,617 -0.008,618 -0.066,619 0.07,620 -0.038,621 -0.146,622 -0.072,623 -0.165,624 -0.066,625 -0.146,626 -0.114,627 -0.059,628 -0.004,629 -0.07,630 -0.032,631 -0.066,632 -0.048,633 -0.053,634 0.018,635 -0.011,636 0.021,637 -0.068,638 0.013,639 -0.089,640 0.004,641 -0.058,642 -0.004,643 -0.098,644 -0.022,645 -0.093,646 0.003,647 -0.033,648 0.015,649 -0.116,650 0.002,651 2.489,652 3.626,653 0.45,654 15.9,655 0.995,656 1.129,657 2.607,658 6.799,659 0.644,660 3.091,661 3.332,662 3.526,663 3.664,664 3.714,665 3.689,666 3.689,667 3.689,668 3.466,669 3.497,670 6.302,671 0.605,672 272.38,673 3.091,674 4.575,675 5.38,676 6.209,677 7.036,678 7.874,679 8.711,680 9.555,681 10.4,682 11.249,683 5,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 40,726 12,728 21,730 41,731 16,733 7,736 3,739 2,740 3,745 1,751 5,753 10,754 6,756 2,761 1,763 1,765 2,768 1,769 1,772 20,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,822 1,823 1,830 1,832 1,836 1,840 20,845 1,846 5,862 5,864 1,865 1,869 10.667,870 7.267,871 4.583,872 2.551,874 2.401,875 1.386,876 0.926,877 5.221,878 8.624,879 3.367,880 3.917,881 4.467,882 4.981,883 5.349,884 5.585,885 5.86,886 6.137,887 5.586,888 5.682,889 1,890 25,891 7.373,893 2.98,894 7.808,895 14.201,897 11.236,899 2.308,900 46.167,901 0.001,904 223.651,905 86.065,906 18.072,908 67.828,911 86.065,912 291.479,913 18.072,914 8.825,915 12.673,916 37.905,917 117.684,918 13.519,919 4.901,920 200.109,922 223.651,923 104.137,924 67.828,927 223.651,928 67.828,931 40.45,932 37.425,933 26.262,935 223.651,936 85.9,937 86.065,940 223.651,941 21.669,942 65.683,944 84.614,945 223.651,946 85.9,947 86.065,949 0.563,950 0.321,951 0.153,952 0.072,953 11,954 5,955 0.171,956 7,957 1,958 1.222,959 3.381,960 131.708,961 0.222,962 9,963 86.439,968 14.639,969 7.133,970 4.115,971 1.127,972 84.614,973 9.955,974 4.155,978 1.275,980 42.683,981 395.616,982 28,987 10.626,989 1.804,991 -0.384,994 39.811,995 45.152,996 0.275,997 0.647,998 0.835,999 0.912,1000 0.931,1001 0.931,1002 4.549,1003 0.933,1004 5.323,1005 2.236,1006 4.007,1007 4.6,1008 1.635,1009 6.052,1010 3.952,1011 5.733,1012 0.59,1013 6.836,1014 2.066,1015 3.434,1016 4.369,1018 6.868,1019 3.33,1020 7.021,1021 0.164,1022 8.461,1023 1.36,1024 5.509,1025 6.809,1026 2.253,1027 9.942,1028 5.383,1029 8.354,1030 -0.372,1031 10.154,1032 0.353,1033 5.832,1034 7.519,1036 11.67,1037 5.634,1038 9.726,1039 -0.786,1040 11.893,1041 -0.845,1042 7.326,1043 9.386,1044 2.922,1045 14.24,1046 7.107,1047 11.126,1048 -1,1049 13.663,1050 -1.762,1051 8.064,1052 10.523,1054 16.32,1055 7.766,1056 12.547,1057 -1,1058 15.454,1059 -2,1060 9.321,1061 12.165,1062 3.619,1063 18.729,1064 8.993,1065 3.045,1066 -1.256,1067 17.261,1068 -2.427,1069 10.254,1070 13.498,1072 20.949,1073 9.847,1074 2.644,1075 10.214,1076 19.08,1077 -2.888,1078 11.414,1079 15.05,1080 4.33,1081 23.303,1082 10.965,1083 2.139,1084 7.414,1085 20.907,1086 4.457,1087 12.437,1088 16.471,1090 25.582,1091 11.913,1092 1.75,1093 6.251,1094 22.741,1095 3.377,1096 13.558,1097 17.987,1098 5.047,1099 27.917,1100 12.984,1101 1.548,1102 3.74,1103 24.581,1104 2.877,1105 14.623,1106 19.448,1108 30.22,1109 13.977,1110 1.323,1111 3.581,1112 26.426,1113 2.321,1114 15.731,1115 20.95,1116 5.769,1117 32.548,1118 15.028,1119 1,1120 2.875,1121 28.275,1122 1.93,1123 16.816,1124 22.429,1126 34.863,1127 16.043,1128 4269,1129 7202,1130 13.811,1131 25.773,1132 30.55,1133 31.117,1134 31.055,1135 30.288,1136 30.269,1137 40.22,1138 2.873,1139 80.179,1140 29.439,1141 5.408,1142 5.593,1143 6.337,1144 5.033,1145 5.045,1146 7.457,1147 2.873,1148 16.989,1149 4.843,1150 9.984,1151 1.455,1152 1.482,1153 1.479,1154 1.442,1155 1.441,1156 1.915,1157 0.137,1158 3.818,1159 1.402,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.475,1165 3.996,1166 3.804,1167 3.848,1168 3.704,1169 3.693,1170 6.351,1171 3.687,1172 3.606,1173 3.655,1174 3.472,1175 3.471,1176 5.051,1177 3.463,1178 3.36,1179 3.419,1180 3.252,1181 3.211,1182 4.381,1183 3.213,1184 3.237,1185 3.302,1186 3.09,1187 3.076,1188 4.329,1189 3.067,1190 3.01,1191 3.04,1192 2.862,1193 2.764,1194 4.036,1195 2.764,1196 2.914,1197 3.005,1198 2.691,1199 2.632,1200 3.774,1201 2.663,1202 2.649,1203 2.748,1204 2.384,1205 2.447,1206 3.521,1207 2.422,1208 0.215,1209 0.171,1210 0.31,1211 0.19,1212 0.145,1213 4.509,1214 0.212,1215 3.593,1216 0.068,1217 6.512,1218 0.486,1219 3.986,1220 0.136,1221 3.045,1222 4.457,1223 1.437,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.077,1229 2.089,1230 1.379,1231 2.084,1232 1.785,1233 1.743,1234 1.974,1235 1.927,1236 1.179,1237 1.947,1238 1.587,1239 1.538,1240 1.809,1241 1.756,1242 0.981,1243 1.773,1244 1.36,1245 1.299,1246 1.597,1247 1.575,1248 0.781,1249 1.57,1250 1.207,1251 1.129,1252 1.451,1253 1.452,1254 0.517,1255 1.472,1256 1.013,1257 0.952,1258 1.263,1259 1.268,1260 0.349,1261 1.234,1262 0.879,1263 0.814,1264 1.221,1265 1.199,1266 0.3,1267 1.214,1268 0.828,1269 0.766,1270 1.088,1271 1.108,1272 0.14,1273 1.147,1274 3.761,1276 5.017,1277 2.398,1278 6.457,1279 4.595,1280 7.99,1281 6.605,1282 9.578,1284 1.641,1289 8.737,1290 5.11,1300 24.214,1301 58.439,1302 137.752,1303 177.858,1304 194.122,1305 198.122,1306 198.122,1307 33.5,1308 6.223,1309 54.6,1310 54.6,1311 11,1312 11.809,1313 3.7,1314 3,1315 36.95,1316 77,1317 62,1318 0.234,1319 153.478,1320 262.58,1321 366.246,1322 3834,1324 14.372,1325 0.719,1326 0.587,1327 14.372,1328 11.75,1329 9.682,1330 0.461,1331 0.333,1332 6.913,1333 9.376,1334 6.724,1335 5.649,1336 9.682,1337 6.983,1338 8.259,1339 0.306,1340 0.185,1341 8.259,1342 4.997,1343 6.596,1344 0.2,1345 0.105,1346 6.596,1347 3.457,1348 4.819,1349 0.127,1350 0.059,1351 4.819,1352 2.244,1353 3.407,1354 0.085,1355 0.035,1356 3.407,1357 1.42,1358 0.383,1359 60.281,1360 0.269,1361 20.681,1362 0.595,1363 96,1364 277.175,1365 104.619,1366 269.504,1367 359.75,1368 250,1369 108,1370 257.653,1371 116.179,1372 262.034,1373 375.21,1374 245,1375 7.721} {0 CHEMBL43734,1 1.459,2 9.056,3 1.955,4 3.821,5 71.182,6 6.631,7 0.526,8 3.676,9 3.819,10 3.14,11 3.175,12 4.7,13 3.134,14 4.221,15 4.433,16 3.412,17 3.541,18 5.169,19 3.459,20 4.449,21 4.706,22 3.348,23 3.633,24 5.326,25 3.506,26 4.449,27 4.709,28 3.205,29 3.586,30 5.318,31 3.433,32 4.397,33 4.693,34 2.942,35 3.451,36 5.134,37 3.255,38 4.242,39 4.543,40 2.838,41 3.291,42 4.987,43 3.106,44 4.086,45 4.374,46 2.754,47 3.156,48 4.893,49 2.989,50 3.941,51 4.23,52 2.752,53 3.018,54 4.816,55 2.864,56 0.029,57 0.547,58 8.542,59 3.224,60 5.956,61 4.793,62 0.179,63 0.839,64 15.422,65 5.313,66 16.016,67 8.056,68 0.189,69 0.925,70 19.709,71 6.741,72 26.012,73 10.127,74 0.208,75 0.898,76 19.81,77 6.703,78 31.031,79 10.062,80 0.185,81 0.809,82 18.824,83 6.28,84 24.536,85 9.679,86 0.163,87 0.685,88 16.152,89 5.332,90 21.449,91 8.223,92 0.146,93 0.596,94 13.799,95 4.434,96 19.509,97 6.864,98 0.161,99 0.518,100 11.88,101 4.009,102 16.171,103 6.115,104 12,105 24,106 0.267,107 0.602,108 0.781,109 0.861,110 0.881,111 0.881,112 2.958,113 1.013,114 -3.01,115 -3.01,116 -2.9,118 37.8,120 5,123 1,140 3,143 1,150 2,154 1,156 1,168 6,171 1,172 4,175 1,177 1,180 5,186 4,191 1,194 4,198 5,203 1,206 4,210 3,215 1,218 3,222 3,227 1,229 3,234 1,242 2,246 1,247 2,250 1,252 1,255 1,259 1,264 1,270 378,271 12.405,272 12.405,273 12.405,274 12.405,275 12.405,276 11.094,277 8.528,278 7.659,279 12.623,280 9.325,281 9.325,282 9.325,283 9.325,284 9.325,285 7.287,286 4.454,287 3.559,288 9.614,289 3.75,290 1.925,291 0.946,292 0.507,293 0.399,294 0.399,295 3.619,298 1,299 1,300 1,301 341,302 3.24,305 38.858,306 49.905,309 74.301,313 1.389,314 11.471,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 38.5,326 163,327 4.509,328 3.568,329 6.512,330 3.986,331 3.045,332 4.457,333 1.907,334 10.214,335 2.865,336 3.64,337 3.117,338 5.203,339 3.361,340 2.347,341 2.877,342 0.149,343 6.252,344 2.365,345 3.499,346 2.291,347 4.988,348 3.113,349 2.133,350 2.81,352 5.891,353 2.089,354 3.048,355 1.679,356 4.138,357 2.587,358 1.591,359 2.321,361 3.711,362 1.582,363 2.671,364 1.548,365 3.7,366 2.515,367 1.547,368 1.672,370 3.282,371 1.494,372 2.5,373 1.147,374 3.412,375 1.936,376 1,377 1.5,379 2.239,380 0.934,381 2.164,382 1.063,383 3.276,384 1.912,385 0.946,386 1.084,388 2.076,389 0.911,390 1.812,391 1,392 2.948,393 1.519,394 0.561,395 0.687,397 1.234,398 0.536,399 1.477,400 0.692,401 2.522,402 1.236,403 0.265,404 0.298,406 0.394,407 0.255,408 1.138,409 0.21,410 2.287,411 0.86,412 -0.157,413 -0.188,415 -0.324,416 -0.158,417 0.718,418 -0.262,419 1.93,420 0.39,421 -0.615,422 -0.767,424 -1.402,425 -0.613,426 0.5,427 -0.738,428 1.677,429 -0.046,430 -1,431 -1.339,433 -2.422,434 -0.946,435 0.151,436 -1,437 1.505,438 -0.098,439 -1.121,440 -1.5,442 -2.547,443 -1.141,444 -0.099,445 -1.046,446 1.377,447 -0.426,448 -1.405,449 -1.713,451 -3.022,452 -1.374,453 -0.253,454 -1.389,455 0.842,456 -0.645,457 -1.589,458 -1.881,460 -4.306,461 -1.483,462 8.533,463 0.474,464 0.277,465 0.015,466 21,467 1.167,468 9.5,469 0.528,470 11.5,471 0.639,472 13.433,473 0.746,474 20.267,475 0.548,476 12.117,477 0.673,478 4.019,479 0.223,480 4.79,481 0.266,482 0.098,484 0.223,487 0.761,488 1.549,489 0.901,490 1.249,491 0.531,492 1.111,493 0.735,494 1.146,495 0.976,496 1.087,497 0.563,498 1.058,499 1.05,500 0.956,501 0.983,502 0.963,503 1.02,504 0.966,505 1.185,506 1.036,507 1.128,508 1.068,509 1.314,510 1.097,511 0.865,512 0.931,513 1.047,514 1.015,515 0.825,516 1.046,517 0.885,518 0.879,519 0.96,520 0.928,521 0.881,522 0.95,523 1.031,524 0.92,525 1.021,526 0.951,527 1.011,528 0.979,529 0.497,530 0.909,531 0.801,532 0.972,533 0.651,534 0.934,535 2.5,536 0.073,537 1.778,538 0.688,539 0.453,540 0.226,541 0.116,542 0.115,543 0.113,544 0.1,545 3020,546 7681,547 2.026,548 51.4,549 6,550 6,552 2,553 1,554 4,558 1.578,559 1.929,560 3.141,561 -0.28,563 1,564 1,565 1,567 53.981,568 1.459,569 3.284,570 4.263,571 4.703,572 4.811,573 4.811,574 2.483,575 3.725,576 4.141,577 3.32,578 507.894,579 6.985,580 5091.85,581 1,582 1,584 1,585 192.75,586 1.224,587 4.116,588 0.132,589 0.008,590 0.074,591 0.031,592 0.025,593 0.017,594 0.01,595 0.01,596 0.01,597 0.009,598 0.327,599 0.67,600 1,601 2.206,602 78.75,603 -0.011,604 -0.266,605 0.047,606 -0.099,607 0.023,608 -0.032,609 0.122,610 0.001,611 -0.012,612 -0.047,613 0.066,614 -0.047,615 -0.099,616 0.031,617 -0.017,618 0.04,619 -0.037,620 0.026,621 -0.161,622 -0.073,623 -0.159,624 -0.075,625 -0.155,626 -0.114,627 -0.082,628 -0.021,629 -0.098,630 -0.056,631 -0.083,632 -0.074,633 -0.058,634 0.015,635 -0.005,636 0.025,637 -0.069,638 0.019,639 -0.103,640 0.003,641 -0.053,642 -0.001,643 -0.089,644 -0.017,645 0.319,646 0.007,647 0.157,648 -0.011,649 0.129,650 0.041,651 1.535,652 4.062,653 0.5,654 13.111,655 0.992,656 1.136,657 1.778,658 3.163,659 0.637,660 2.996,661 3.219,662 3.434,663 3.611,664 3.664,665 3.638,666 3.638,667 3.664,668 3.434,669 3.401,670 5.575,671 0.594,672 245.36,673 2.996,674 4.466,675 5.273,676 6.103,677 6.932,678 7.774,679 8.616,680 9.466,681 10.314,682 11.17,683 8.1,690 1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 37,726 11,728 19,730 38,731 14,733 7,739 2,740 3,751 5,753 8,754 6,756 1,761 1,765 1,769 1,772 19,773 3,774 1,775 4,778 1,779 3,784 0.5,785 1,795 1,801 1,802 1,805 1,816 1,832 1,836 1,840 18,846 5,847 1,862 2.7,865 1,869 9.333,870 6.733,871 4.222,872 2.376,874 2.117,875 1.349,876 0.953,877 4.623,878 8.173,879 3.258,880 3.79,881 4.358,882 4.924,883 5.31,884 5.554,885 5.837,886 6.124,887 5.554,888 5.594,889 0.833,890 22,891 6.641,893 2.656,894 7.667,895 12.944,897 10.217,899 2.167,900 39,901 0.002,904 211.88,905 76.769,906 36.083,908 25.145,911 76.769,912 237.025,913 36.083,914 8.396,915 30.683,916 28.429,917 78.796,918 10.334,919 4.901,920 188.338,922 211.88,923 112.852,924 25.145,927 211.88,928 25.145,931 49.636,932 46.431,933 16.786,935 211.88,936 61.228,937 76.769,940 211.88,941 22.278,942 55.778,943 18.011,944 41.93,945 211.88,946 61.228,947 76.769,949 0.552,950 0.32,951 0.161,952 0.075,953 10,954 4,955 0.158,956 6,957 1,958 1.222,959 3.185,960 114.937,961 0.222,962 9,963 75.059,968 12.938,969 6.433,970 3.491,971 1.137,972 59.941,973 9.983,974 4.151,978 1.282,980 18.011,981 349.877,982 25,987 11.062,991 0.131,994 36.702,995 42.026,996 0.28,997 0.63,998 0.818,999 0.903,1000 0.923,1001 0.923,1002 4.425,1003 0.561,1004 5.198,1005 2.076,1006 3.892,1007 4.472,1008 1.953,1009 5.922,1010 3.83,1011 5.586,1012 0.265,1013 6.698,1014 1.234,1015 3.219,1016 4.205,1017 1.593,1018 6.72,1019 3.12,1020 6.863,1021 -0.157,1022 8.308,1023 0.394,1024 5.38,1025 6.682,1026 2.904,1027 9.813,1028 5.239,1029 8.189,1030 -0.615,1031 9.99,1032 -0.324,1033 5.638,1034 7.392,1035 3.032,1036 11.557,1037 5.42,1038 9.556,1039 -1,1040 11.72,1041 -1.402,1042 7.177,1043 9.278,1044 4.037,1045 14.142,1046 6.928,1047 10.953,1048 -1.121,1049 13.486,1050 -2.422,1051 7.886,1052 10.431,1053 4.409,1054 16.244,1055 7.542,1056 12.373,1057 -1.405,1058 15.278,1059 -2.547,1060 9.168,1061 12.088,1062 5.25,1063 18.666,1064 8.788,1065 3.045,1066 -1.589,1067 17.088,1068 -3.022,1069 10.095,1070 13.436,1071 5.75,1072 20.903,1073 9.619,1074 2.347,1075 10.214,1076 18.913,1077 -4.306,1078 11.271,1079 15,1080 6.501,1081 23.267,1082 10.749,1083 2.133,1084 6.252,1085 20.748,1086 4.457,1087 12.299,1088 16.432,1089 7.068,1090 25.556,1091 11.689,1092 1.591,1093 5.891,1094 22.592,1095 2.877,1096 13.434,1097 17.956,1098 7.771,1099 27.897,1100 12.769,1101 1.547,1102 3.711,1103 24.443,1104 2.81,1105 14.508,1106 19.424,1107 8.374,1108 30.206,1109 13.764,1110 1,1111 3.282,1112 26.298,1113 2.321,1114 15.627,1115 20.931,1116 9.051,1117 32.537,1118 14.824,1119 0.946,1120 2.239,1121 28.157,1122 1.672,1123 16.722,1124 22.415,1125 9.674,1126 34.855,1127 15.845,1128 3078,1129 4968,1130 12.712,1131 23.563,1132 26.957,1133 27.892,1134 27.933,1135 26.803,1136 26.871,1137 35.412,1138 4.112,1139 70.586,1140 26.061,1141 5.432,1142 5.568,1143 6.287,1144 5.033,1145 5.045,1146 7.457,1147 3.306,1148 16.989,1149 4.837,1150 7.627,1151 1.419,1152 1.468,1153 1.47,1154 1.411,1155 1.414,1156 1.864,1157 0.216,1158 3.715,1159 1.372,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.429,1165 3.996,1166 3.761,1167 3.819,1168 3.637,1169 3.611,1170 5.051,1171 3.604,1172 3.533,1173 3.602,1174 3.402,1175 3.34,1176 4.377,1177 3.347,1178 3.337,1179 3.407,1180 3.221,1181 3.171,1182 4.217,1183 3.177,1184 3.209,1185 3.297,1186 3.013,1187 3.016,1188 4.066,1189 3.005,1190 2.968,1191 3.039,1192 2.778,1193 2.78,1194 3.786,1195 2.766,1196 2.721,1197 2.796,1198 2.524,1199 2.497,1200 3.46,1201 2.49,1202 2.437,1203 2.547,1204 2.192,1205 2.161,1206 3.279,1207 2.15,1208 0.237,1209 0.188,1210 0.343,1211 0.21,1212 0.16,1213 4.509,1214 0.235,1215 3.568,1216 0.1,1217 6.512,1218 0.538,1219 3.986,1220 0.151,1221 3.045,1222 4.457,1223 1.907,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.073,1229 2.089,1230 1.372,1231 2.084,1232 1.729,1233 1.675,1234 1.943,1235 1.912,1236 1.16,1237 1.924,1238 1.482,1239 1.421,1240 1.731,1241 1.72,1242 0.912,1243 1.73,1244 1.332,1245 1.259,1246 1.598,1247 1.571,1248 0.677,1249 1.568,1250 1.196,1251 1.097,1252 1.452,1253 1.454,1254 0.517,1255 1.48,1256 1.013,1257 0.952,1258 1.239,1259 1.201,1260 0.34,1261 1.217,1262 0.889,1263 0.81,1264 1.221,1265 1.156,1266 0.3,1267 1.184,1268 0.574,1269 0.492,1270 0.947,1271 0.874,1272 0.083,1273 0.902,1274 3.664,1276 4.905,1277 2.398,1278 6.34,1279 4.595,1280 7.875,1281 6.605,1282 9.47,1284 1.683,1290 4.805,1291 2.643,1300 21.993,1301 53.981,1302 121.525,1303 157.73,1304 173.995,1305 177.995,1306 177.995,1307 25.752,1308 6.057,1309 46.4,1310 46.4,1311 11,1312 11.726,1313 3.585,1314 2.807,1315 31.381,1316 60,1317 60,1318 0.256,1319 140.019,1320 232.83,1321 333.405,1322 2970,1324 12.795,1325 0.711,1326 0.596,1327 12.795,1328 10.725,1329 8.809,1330 0.464,1331 0.338,1332 6.336,1333 8.489,1334 6.175,1335 5.185,1336 8.809,1337 6.416,1338 7.197,1339 0.3,1340 0.185,1341 7.197,1342 4.439,1343 5.942,1344 0.198,1345 0.105,1346 5.942,1347 3.148,1348 4.539,1349 0.126,1350 0.058,1351 4.539,1352 2.104,1353 3.209,1354 0.084,1355 0.035,1356 3.209,1357 1.321,1358 0.412,1359 55.026,1360 0.28,1361 18.651,1362 0.669,1363 86,1364 237.359,1365 93.793,1366 230.578,1367 312.14,1368 216,1369 97,1370 226.031,1371 104.684,1372 228.948,1373 327.65,1374 215,1375 6.569} {0 CHEMBL43745,1 1.666,2 13.273,3 5.131,4 26.33,5 130.144,6 8.118,7 0.514,8 4.166,9 4.262,10 3.925,11 3.779,12 5.239,13 3.722,14 4.709,15 4.859,16 4.193,17 4.151,18 5.965,19 4.067,20 4.95,21 5.134,22 4.209,23 4.294,24 6.033,25 4.168,26 5.038,27 5.248,28 4.069,29 4.245,30 6.117,31 4.11,32 4.98,33 5.204,34 4.118,35 4.221,36 5.981,37 4.085,38 4.995,39 5.22,40 4.183,41 4.236,42 6.068,43 4.107,44 5.025,45 5.271,46 4.114,47 4.234,48 5.987,49 4.103,50 4.981,51 5.19,52 4.111,53 4.222,54 6.019,55 4.101,56 0.089,57 0.817,58 13.893,59 6.116,60 18.332,61 7.246,62 0.486,63 1.3,64 24.464,65 10.24,66 69.737,67 12.527,68 0.338,69 1.604,70 37.388,71 14.084,72 61.759,73 16.905,74 0.574,75 1.682,76 42.163,77 14.581,78 101.462,79 17.515,80 0.416,81 1.615,82 37.693,83 13.59,84 73.621,85 17.219,86 0.501,87 1.617,88 39.125,89 14.314,90 80.135,91 18.342,92 0.408,93 1.678,94 38.766,95 14.224,96 68.348,97 18.597,98 0.478,99 1.608,100 40.966,101 14.162,102 76.272,103 16.942,104 30,105 47,106 0.268,107 0.552,108 0.708,109 0.823,110 0.861,111 0.874,112 3.531,113 1.075,114 -4.58,115 -4.51,116 -4.24,118 41.7,120 5,123 1,124 1,140 9,141 4,142 2,143 2,154 1,168 16,171 2,172 4,175 2,177 1,180 21,186 8,191 3,194 20,198 9,203 4,206 14,210 7,215 2,218 13,222 12,227 4,229 12,234 12,239 2,242 12,247 11,252 1,255 13,259 7,262 2,264 1,267 12,270 2314,271 21.979,272 21.979,273 21.979,274 21.979,275 21.979,276 19.339,277 19.797,278 13.177,279 22.507,280 17.222,281 17.222,282 17.222,283 17.222,284 17.222,285 13.083,286 14.399,287 6.248,288 17.998,289 4.241,290 2.48,291 1.513,292 0.796,293 0.558,294 0.479,295 4.213,297 1,300 1,301 914,302 4.472,306 383.637,313 1.917,314 40.391,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 71.333,326 438,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.443,334 12.404,335 3.063,336 4.205,337 3.675,338 5.801,339 3.835,340 2.835,341 3.844,342 0.286,343 8.379,344 2.834,345 3.895,346 3.026,347 5.351,348 3.512,349 2.521,350 3.443,352 6.998,353 2.498,354 3.835,355 2.898,356 5.151,357 3.343,358 2.402,359 3.393,361 6.324,362 2.305,363 3.649,364 2.728,365 5.091,366 3.312,367 2.355,368 2.834,370 6.227,371 2.163,372 3.376,373 2.406,374 4.996,375 3.084,376 2.09,377 2.623,379 5.986,380 2.072,381 3.337,382 2.334,383 4.882,384 3.008,385 2.015,386 2.573,388 5.613,389 1.992,390 3.08,391 1.885,392 4.728,393 2.576,394 1.641,395 2.289,397 4.755,398 1.464,399 2.911,400 1.572,401 3.637,402 2.45,403 1.486,404 2.079,406 3.141,407 1.43,408 2.5,409 1.461,410 3.519,411 2.057,412 1.094,413 1.5,415 2.45,416 1.046,417 2.5,418 1.306,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.256,427 1.037,428 3.247,429 1.956,430 1,431 1.218,433 2.136,434 0.954,435 1.846,436 1,437 3.161,438 1.685,439 0.734,440 0.786,442 1.547,443 0.689,444 1.809,445 1,446 3.117,447 1.591,448 0.603,449 0.706,451 1.395,452 0.595,453 1.458,454 0.676,455 2.979,456 1.103,457 0.16,458 0.188,460 0.229,461 0.148,462 16.181,463 0.49,464 0.819,465 0.025,466 42.25,467 1.28,468 22.5,469 0.682,470 19.75,471 0.598,472 29.267,473 0.887,474 36.019,475 0.6,476 33.776,477 1.024,478 8.219,479 0.249,480 7.634,481 0.231,482 0.137,483 0.052,484 0.216,487 0.548,488 1.258,489 0.727,490 1.162,491 0.607,492 0.964,493 0.661,494 1.009,495 0.808,496 0.923,497 0.537,498 0.957,499 0.912,500 1.163,501 1.118,502 1.183,503 0.895,504 1.126,505 1.217,506 1.042,507 1.103,508 1.059,509 1.347,510 1.079,511 0.849,512 1.011,513 0.678,514 0.89,515 0.969,516 1.007,517 0.575,518 1.054,519 0.744,520 1.02,521 0.559,522 0.997,523 0.741,524 0.883,525 0.669,526 0.801,527 0.749,528 0.852,529 1.097,530 1.034,531 1.08,532 1.076,533 0.991,534 1.001,535 8,536 0.239,537 3.333,538 1.75,539 1.427,540 0.91,541 0.613,542 0.589,543 0.358,544 0.274,545 15777,546 50597,547 2.004,548 45,549 6,550 14,552 2,553 1,554 2,555 2,558 1.756,559 1.877,560 3.666,561 -0.352,567 99.935,568 1.666,569 3.427,570 4.394,571 5.111,572 5.348,573 5.428,574 3.086,575 4.681,576 5.013,577 3.867,578 2041.85,579 8.802,580 32548.6,585 354.413,586 1.478,587 4.968,588 0.229,589 0.007,590 0.071,591 0.038,592 0.036,593 0.023,594 0.014,595 0.014,596 0.008,597 0.007,598 0.446,599 0.17,600 0.75,601 1.177,602 177.878,603 0.069,604 -0.094,605 0.138,606 -0.066,607 -0.087,608 0.015,609 0.207,610 0.073,611 0.023,612 0.058,613 0.222,614 -0.003,615 -0.089,616 -0.135,617 -0.126,618 -0.131,619 -0.044,620 -0.128,621 -0.186,622 -0.052,623 -0.167,624 -0.069,625 -0.159,626 -0.105,627 -0.051,628 -0.026,629 0.074,630 0.025,631 -0.067,632 -0.028,633 0.17,634 -0.093,635 0.123,636 -0.056,637 0.167,638 0.013,639 0.007,640 0.085,641 0.137,642 0.117,643 0.003,644 0.145,645 -0.123,646 -0.032,647 -0.098,648 -0.045,649 -0.082,650 -0.012,651 4.532,652 5.526,653 0.545,654 40.299,655 1.007,656 1.118,657 3.354,658 11.247,659 0.687,660 3.584,661 3.871,662 4.025,663 4.174,664 4.369,665 4.394,666 4.419,667 4.489,668 4.595,669 4.682,670 8.022,671 0.646,672 487.06,673 3.584,674 5.106,675 5.911,676 6.758,677 7.58,678 8.432,679 9.262,680 10.117,681 10.95,682 11.809,683 3.3,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 60,726 21,727 2,728 35,730 62,731 25,733 17,734 5,735 7,739 3,740 3,741 1,751 5,753 18,754 7,756 3,760 1,761 3,765 1,772 27,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 3,819 1,832 3,834 1,836 1,837 1,840 33,844 1,846 6,847 1,848 1,861 1,862 6.7,865 3,867 1,869 17.583,870 10.843,871 7.375,872 3.502,874 2.865,875 1.39,876 0.965,877 9.161,878 10.219,879 3.871,880 4.449,881 4.873,882 5.322,883 5.805,884 5.877,885 6.005,886 6.134,887 6.503,888 6.808,889 0.889,890 46,891 12.441,893 5.392,894 7.915,895 23.222,897 18.794,899 2.415,900 79.694,904 306.049,905 159.835,906 33.191,907 39.149,908 80.458,910 5.807,911 154.027,912 425.655,913 33.191,914 10.883,915 14.778,916 107.499,917 116.977,918 46.888,920 282.506,921 39.149,922 306.049,923 187.218,924 80.458,925 44.956,927 282.506,928 104,931 49.278,932 121.154,933 61.742,935 306.049,936 113.648,937 198.984,939 5.807,940 306.049,941 39.763,942 114.264,943 16.405,944 136.392,945 306.049,946 113.648,947 198.984,949 0.574,950 0.315,951 0.149,952 0.083,953 19,954 9,955 0.194,956 12,958 1,959 4.455,960 279.768,962 18,963 160.465,967 1,968 25.072,969 12.058,970 8.062,972 113.648,973 19.838,974 4.16,978 4.982,980 16.405,981 618.68,982 47,986 -3.615,987 36.642,991 -0.256,994 60.4,995 67.096,996 0.282,997 0.58,998 0.744,999 0.865,1000 0.905,1001 0.919,1002 5.085,1003 1.641,1004 5.9,1005 5.613,1006 4.554,1007 5.136,1008 2.402,1009 6.666,1010 4.473,1011 6.298,1012 1.486,1013 7.44,1014 4.755,1015 4.205,1016 5.112,1017 2.243,1018 7.758,1019 4.025,1020 7.622,1021 1.094,1022 9.094,1023 3.141,1024 6.155,1025 7.378,1026 3.841,1027 10.727,1028 5.981,1029 8.987,1030 1,1031 10.823,1032 2.45,1033 6.621,1034 8.172,1035 4.269,1036 12.734,1037 6.317,1038 10.39,1039 1,1040 12.608,1041 2.275,1042 8.076,1043 9.972,1044 5.486,1045 15.343,1046 7.769,1047 11.82,1048 0.734,1049 14.436,1050 2.136,1051 8.927,1052 11.147,1053 6.158,1054 17.695,1055 8.477,1056 13.274,1057 0.603,1058 16.298,1059 1.547,1060 10.2,1061 12.777,1062 7.208,1063 20.228,1064 9.719,1065 3.374,1066 0.16,1067 18.189,1068 1.395,1069 11.239,1070 14.139,1071 7.992,1072 22.693,1073 10.619,1074 2.835,1075 12.404,1076 20.101,1077 0.229,1078 12.451,1079 15.706,1080 8.963,1081 25.212,1082 11.77,1083 2.521,1084 8.379,1085 22.032,1086 4.697,1087 13.579,1088 17.16,1089 9.802,1090 27.712,1091 12.769,1092 2.402,1093 6.998,1094 23.975,1095 3.844,1096 14.776,1097 18.705,1098 10.734,1099 30.229,1100 13.883,1101 2.355,1102 6.324,1103 25.93,1104 3.443,1105 15.946,1106 20.204,1107 11.599,1108 32.741,1109 14.932,1110 2.09,1111 6.227,1112 27.892,1113 3.393,1114 17.144,1115 21.743,1116 12.512,1117 35.258,1118 16.034,1119 2.015,1120 5.986,1121 29.861,1122 2.834,1123 18.334,1124 23.265,1125 13.391,1126 37.773,1127 17.109,1128 15475,1129 27939,1130 22.94,1131 41.233,1132 50.716,1133 53.227,1134 52.16,1135 50.806,1136 50.619,1137 67.347,1138 5.458,1139 139.716,1140 48.506,1141 5.75,1142 6.683,1143 7.095,1144 5.34,1145 5.374,1146 7.697,1147 4.174,1148 19.555,1149 5.063,1150 17.63,1151 1.449,1152 1.521,1153 1.49,1154 1.452,1155 1.446,1156 1.924,1157 0.156,1158 3.992,1159 1.386,1160 4.085,1161 4.079,1162 4.736,1163 4.069,1164 7.717,1165 3.991,1166 3.985,1167 3.997,1168 3.937,1169 3.939,1170 7.432,1171 3.92,1172 3.858,1173 3.898,1174 3.923,1175 3.767,1176 6.999,1177 3.768,1178 3.67,1179 3.691,1180 3.791,1181 3.584,1182 4.931,1183 3.523,1184 3.611,1185 3.626,1186 3.533,1187 3.432,1188 4.895,1189 3.437,1190 3.4,1191 3.442,1192 3.291,1193 3.287,1194 4.699,1195 3.26,1196 3.302,1197 3.351,1198 3.176,1199 3.109,1200 4.496,1201 3.108,1202 3.127,1203 3.205,1204 3.137,1205 2.912,1206 4.267,1207 2.903,1208 0.138,1209 0.134,1210 0.208,1211 0.123,1212 0.096,1213 4.844,1214 0.134,1215 4.683,1216 0.07,1217 7.293,1218 0.354,1219 4.291,1220 0.088,1221 3.374,1222 4.697,1223 2.443,1224 12.404,1225 3.063,1226 1.993,1227 1.978,1228 2.109,1229 2.073,1230 1.357,1231 2.094,1232 1.946,1233 1.947,1234 1.977,1235 2.009,1236 1.194,1237 2.046,1238 1.844,1239 1.808,1240 1.952,1241 1.959,1242 1.159,1243 1.967,1244 1.593,1245 1.561,1246 1.803,1247 1.795,1248 1.072,1249 1.799,1250 1.523,1251 1.501,1252 1.718,1253 1.715,1254 0.884,1255 1.729,1256 1.363,1257 1.338,1258 1.589,1259 1.545,1260 0.697,1261 1.573,1262 1.243,1263 1.204,1264 1.496,1265 1.478,1266 0.576,1267 1.518,1268 1.126,1269 1.048,1270 1.181,1271 1.34,1272 0.51,1273 1.383,1274 4.263,1276 5.557,1278 7.033,1280 8.587,1282 10.184,1284 1.38,1285 5.847,1290 3.312,1291 2.646,1292 4.759,1300 38.765,1301 99.935,1302 205.617,1303 263.645,1304 306.639,1305 320.904,1306 325.659,1307 87.222,1308 7.354,1309 85.36,1310 93.74,1311 18,1312 12.366,1313 4.459,1314 3.7,1315 64.006,1316 154,1317 165,1318 0.191,1319 248.162,1320 435.76,1321 597.276,1322 16130,1323 1.7,1324 23.684,1325 0.718,1326 0.607,1327 24.434,1328 20.032,1329 15.853,1330 0.453,1331 0.358,1332 10.723,1333 14.277,1334 10.281,1335 8.533,1336 16.962,1337 12.543,1338 14.315,1339 0.305,1340 0.211,1341 16.047,1342 9.9,1343 11.027,1344 0.2,1345 0.126,1346 12.423,1347 6.942,1348 8.174,1349 0.128,1350 0.073,1351 9.195,1352 4.64,1353 6.464,1354 0.083,1355 0.043,1356 7.422,1357 3.392,1358 0.305,1359 110.121,1360 0.209,1361 31.184,1362 0.51,1363 164,1364 519.984,1365 228.685,1366 549.858,1367 717.44,1368 506,1369 184,1370 451.697,1371 248.303,1372 506.699,1373 722.72,1374 472,1375 8.046} {0 CHEMBL43756,1 1.534,2 20.167,3 4.856,4 23.581,5 174.66,6 7.66,7 0.442,8 4.558,9 4.647,10 4.129,11 4.039,12 5.727,13 4.048,14 5.091,15 5.223,16 4.462,17 4.406,18 6.31,19 4.395,20 5.35,21 5.525,22 4.511,23 4.539,24 6.434,25 4.496,26 5.421,27 5.607,28 4.486,29 4.548,30 6.502,31 4.498,32 5.433,33 5.629,34 4.494,35 4.58,36 6.473,37 4.515,38 5.466,39 5.673,40 4.499,41 4.613,42 6.507,43 4.529,44 5.449,45 5.662,46 4.482,47 4.609,48 6.45,49 4.534,50 5.449,51 5.647,52 4.491,53 4.576,54 6.556,55 4.515,56 0.206,57 1.132,58 17.101,59 8.387,60 28.555,61 9.736,62 0.862,63 1.797,64 33.112,65 13.381,66 94.752,67 16.024,68 1.114,69 2.172,70 46.601,71 17.53,72 104.015,73 21.839,74 1.209,75 2.264,76 51.638,77 18.551,78 128.012,79 23.078,80 1.231,81 2.33,82 52.21,83 19.179,84 124.133,85 24.575,86 1.59,87 2.412,88 54.968,89 20.025,90 138.996,91 26.357,92 1.004,93 2.408,94 53.42,95 19.802,96 119.42,97 25.963,98 1.412,99 2.351,100 54.04,101 18.875,102 152.165,103 24.045,104 35,105 69,106 0.229,107 0.567,108 0.764,109 0.884,110 0.91,111 0.916,112 3.894,113 0.9,114 -3.68,115 -3.64,116 -3.47,118 41.9,120 3,121 1,124 5,126 1,127 1,133 2,140 11,141 3,142 4,143 1,149 1,154 2,156 1,163 2,167 2,168 16,169 2,171 2,172 11,175 2,177 4,180 15,181 3,185 3,186 16,191 5,194 10,195 2,198 14,199 1,201 1,203 4,206 8,207 1,209 2,210 9,211 1,213 1,215 2,218 12,219 1,221 5,222 11,225 2,227 3,229 16,230 1,234 8,235 1,239 4,242 19,246 2,247 6,248 3,250 1,252 3,255 21,256 1,258 6,259 6,262 3,264 2,267 17,268 3,270 5842,271 32.672,272 32.672,273 32.672,274 32.672,275 32.672,276 29.238,277 35.919,278 19.87,279 33.397,280 25.708,281 25.708,282 25.708,283 25.708,284 25.708,285 20.627,286 37.707,287 9.477,288 26.892,289 4.893,290 2.625,291 1.3,292 0.497,293 0.326,294 0.279,295 4.597,301 2069,302 4.848,305 160.526,306 745.459,313 2.993,314 65.53,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 107,326 968,327 4.334,328 3.607,329 6.681,330 4.109,331 3.139,332 3.968,333 2.341,334 10.786,335 3.041,336 4.32,337 3.597,338 6.228,339 3.919,340 2.955,341 3.856,342 1.902,343 9.344,344 2.853,345 4.125,346 3.585,347 6.129,348 3.8,349 2.811,350 3.689,351 1.437,352 8.997,353 2.78,354 3.922,355 3.204,356 5.803,357 3.5,358 2.556,359 3.479,360 0.869,361 7.778,362 2.413,363 3.843,364 3.19,365 5.659,366 3.449,367 2.504,368 3.197,369 0.86,370 7.399,371 2.394,372 3.737,373 2.861,374 5.352,375 3.438,376 2.486,377 2.972,378 0.86,379 6.996,380 2.311,381 3.57,382 2.663,383 5.323,384 3.304,385 2.345,386 2.737,387 0.86,388 6.89,389 2.238,390 3.535,391 2.602,392 4.66,393 3.236,394 2.231,395 2.694,396 0.22,397 5.184,398 2.212,399 3.124,400 2.337,401 4.564,402 2.705,403 1.783,404 2.204,406 4.56,407 1.678,408 2.985,409 2.165,410 4.47,411 2.667,412 1.717,413 2.11,415 4.526,416 1.582,417 2.873,418 2.034,419 4.358,420 2.5,421 1.546,422 2.024,424 4.113,425 1.471,426 2.819,427 1.979,428 3.815,429 2.442,430 1.473,431 1.899,433 3.173,434 1.419,435 2.808,436 1.851,437 3.81,438 2.391,439 1.414,440 1.839,442 3.121,443 1.374,444 2.69,445 1.631,446 3.631,447 2.371,448 1.413,449 1.729,451 3.032,452 1.339,453 2.674,454 1.534,455 3.596,456 2.226,457 1.261,458 1.682,460 2.881,461 1.202,462 22.133,463 0.461,464 0.976,465 0.02,466 59,467 1.229,468 28,469 0.583,470 31,471 0.646,472 46.564,473 0.97,474 53.467,475 0.622,476 55.03,477 1.146,478 12.207,479 0.254,480 11.161,481 0.233,482 0.075,484 0.289,487 0.883,488 1.29,489 0.778,490 1.164,491 0.799,492 0.984,493 0.981,494 1.089,495 0.97,496 1.083,497 0.561,498 1.028,499 1.03,500 1.035,501 1.008,502 1.077,503 0.83,504 1.045,505 1.193,506 1.04,507 1.083,508 1.069,509 0.946,510 1.055,511 0.967,512 1.017,513 1.002,514 1.053,515 0.715,516 1.043,517 0.761,518 0.941,519 0.953,520 0.977,521 0.638,522 1.012,523 0.895,524 1.001,525 0.931,526 1.008,527 0.8,528 0.986,529 1.104,530 0.948,531 1.051,532 0.954,533 1.039,534 0.986,535 8,536 0.355,537 4.889,538 2.222,539 1.956,540 1.566,541 1.057,542 0.576,543 0.508,544 0.474,545 50657,546 153696,547 2.077,548 44.2,549 4,550 24,551 2,552 2,553 3,554 2,556 1,558 1.84,559 1.973,560 4.23,561 0.685,567 131.901,568 1.534,569 3.801,570 5.126,571 5.929,572 6.101,573 6.147,574 3.697,575 4.97,576 5.554,577 4.483,578 5056.34,579 9.852,580 111062,585 552.659,586 1.274,587 5.529,588 0.154,589 0.006,590 0.071,591 0.032,592 0.029,593 0.023,594 0.016,595 0.008,596 0.007,597 0.008,598 0.354,599 0.33,600 0.5,601 1.229,602 294.281,603 -0.082,604 -0.123,605 0.033,606 -0.051,607 -0.093,608 0.006,609 0.005,610 0.011,611 -0.065,612 -0.045,613 0.123,614 -0.065,615 -0.036,616 -0.03,617 -0.048,618 -0.061,619 -0.038,620 -0.056,621 -0.131,622 -0.068,623 -0.094,624 -0.068,625 -0.08,626 -0.071,627 -0.022,628 -0.039,629 -0.028,630 -0.045,631 -0.002,632 -0.04,633 0.135,634 0.03,635 0.023,636 0.031,637 0.057,638 0.003,639 -0.065,640 -0.023,641 0.034,642 0.004,643 -0.047,644 0.037,645 -0.08,646 0.03,647 -0.058,648 0.036,649 -0.1,650 0.001,651 2.737,652 4.58,653 0.604,654 82.613,655 1.016,656 1.123,657 2.445,658 5.98,659 0.654,660 3.97,661 4.248,662 4.477,663 4.691,664 4.898,665 4.984,666 5.112,667 5.204,668 5.333,669 5.455,670 11.736,671 0.636,672 658.76,673 3.97,674 5.493,675 6.319,676 7.169,677 8.015,678 8.872,679 9.728,680 10.591,681 11.452,682 12.319,683 2.3,691 1,693 1,699 14,700 1,704 7,705 1,706 23,714 1,721 1,722 3,724 86,726 26,727 3,728 52,730 90,731 36,733 21,734 7,735 11,736 1,739 5,740 5,748 1,749 1,751 4,753 25,754 11,755 1,756 3,761 2,763 2,765 2,772 38,773 11,774 3,775 12,778 1,779 2,784 1,785 10,801 1,802 4,818 1,822 2,830 2,831 2,832 5,840 48,845 3,846 8,848 5,850 3,862 11.6,864 3,865 2,866 2,867 3,869 24.333,870 14.75,871 10.75,872 4.954,874 3.902,875 1.441,876 0.921,877 13.045,878 12.75,879 4.212,880 4.725,881 5.196,882 5.664,883 6.075,884 6.181,885 6.419,886 6.6,887 6.924,888 7.289,889 1,890 70,891 17.835,893 7.593,894 7.948,895 33.353,897 26.875,899 2.448,900 117.5,904 411.989,905 205.45,906 18.685,908 233.339,911 205.45,912 645.328,913 18.685,915 28.079,916 132.598,917 251.106,918 69.233,919 23.542,920 364.904,922 411.989,923 224.134,924 233.339,927 400.217,928 223.111,929 22,930 0.36,931 47.644,932 140.393,933 35.738,935 411.989,936 252.024,937 205.45,940 412.348,941 55.186,942 151.804,944 250.125,945 411.989,946 252.024,947 205.45,949 0.569,950 0.32,951 0.167,952 0.089,953 28,954 13,955 0.189,956 17,958 1,959 5.8,960 475.664,962 29,963 264.078,968 35.134,969 17.822,970 10.407,972 250.125,973 23.994,974 4.005,978 2.981,979 1.869,980 128.05,981 869.462,982 66.5,987 22.325,989 3.777,991 -1.913,994 87.381,995 96.564,996 0.239,997 0.591,998 0.798,999 0.923,1000 0.949,1001 0.957,1002 5.433,1003 2.231,1004 6.271,1005 6.89,1006 4.934,1007 5.414,1008 3.261,1009 7.022,1010 4.85,1011 6.595,1012 1.783,1013 7.791,1014 5.184,1015 4.369,1016 5.017,1017 2.521,1018 7.828,1019 4.261,1020 7.866,1021 1.717,1022 9.414,1023 4.56,1024 6.466,1025 7.467,1026 4.237,1027 10.908,1028 6.313,1029 9.168,1030 1.546,1031 11.1,1032 4.526,1033 6.758,1034 7.914,1035 4.358,1036 12.59,1037 6.58,1038 10.504,1039 1.473,1040 12.829,1041 4.113,1042 8.274,1043 9.804,1044 5.564,1045 15.17,1046 8.061,1047 11.861,1048 1.414,1049 14.588,1050 3.173,1051 8.972,1052 10.652,1053 6.075,1054 17.215,1055 8.733,1056 13.235,1057 1.413,1058 16.368,1059 3.121,1060 10.244,1061 12.292,1062 7.07,1063 19.631,1064 9.976,1065 3.139,1066 1.261,1067 18.164,1068 3.032,1069 11.146,1070 13.352,1071 7.759,1072 21.838,1073 10.849,1074 2.955,1075 10.786,1076 19.972,1077 2.881,1078 12.313,1079 14.864,1080 8.663,1081 24.201,1082 11.989,1083 2.811,1084 9.344,1085 21.791,1086 3.968,1087 13.317,1088 16.043,1089 9.435,1090 26.485,1091 12.964,1092 2.556,1093 8.997,1094 23.617,1095 3.856,1096 14.443,1097 17.487,1098 10.303,1099 28.835,1100 14.064,1101 2.504,1102 7.778,1103 25.451,1104 3.689,1105 15.499,1106 18.736,1107 11.114,1108 31.157,1109 15.091,1110 2.486,1111 7.399,1112 27.29,1113 3.479,1114 16.612,1115 20.141,1116 11.968,1117 33.508,1118 16.176,1119 2.345,1120 6.996,1121 29.135,1122 3.197,1123 17.697,1124 21.432,1125 12.798,1126 35.85,1127 17.23,1128 48101,1129 83985,1130 35.076,1131 56.262,1132 76.686,1133 77.686,1134 77.092,1135 75.729,1136 75.747,1137 95.701,1138 18.697,1139 206.207,1140 72.408,1141 5.334,1142 5.607,1143 6.451,1144 5.226,1145 5.139,1146 6.968,1147 3.925,1148 17.864,1149 5.041,1150 23.379,1151 1.475,1152 1.494,1153 1.483,1154 1.456,1155 1.457,1156 1.84,1157 0.36,1158 3.966,1159 1.392,1160 4.027,1161 4.051,1162 3.966,1163 3.923,1164 7.477,1165 3.928,1166 3.949,1167 3.988,1168 3.898,1169 3.845,1170 7.472,1171 3.854,1172 3.896,1173 3.927,1174 3.84,1175 3.82,1176 6.469,1177 3.819,1178 3.884,1179 3.905,1180 3.828,1181 3.697,1182 6.352,1183 3.726,1184 3.764,1185 3.804,1186 3.657,1187 3.66,1188 6.35,1189 3.651,1190 3.631,1191 3.661,1192 3.531,1193 3.457,1194 4.977,1195 3.464,1196 3.491,1197 3.529,1198 3.38,1199 3.269,1200 4.918,1201 3.284,1202 3.396,1203 3.431,1204 3.308,1205 3.166,1206 4.862,1207 3.187,1208 0.083,1209 0.069,1210 0.128,1211 0.079,1212 0.06,1213 4.334,1214 0.076,1215 3.607,1216 0.045,1217 6.681,1218 0.207,1219 4.109,1220 0.058,1221 3.139,1222 3.968,1223 2.341,1224 10.786,1225 3.041,1226 1.946,1227 1.927,1228 2.065,1229 2.068,1230 1.366,1231 2.065,1232 1.891,1233 1.88,1234 1.993,1235 2.012,1236 1.147,1237 1.999,1238 1.878,1239 1.859,1240 1.971,1241 1.97,1242 1.12,1243 1.974,1244 1.763,1245 1.722,1246 1.948,1247 1.898,1248 1.108,1249 1.915,1250 1.629,1251 1.562,1252 1.824,1253 1.864,1254 1.049,1255 1.854,1256 1.584,1257 1.546,1258 1.799,1259 1.785,1260 1.013,1261 1.784,1262 1.433,1263 1.387,1264 1.699,1265 1.678,1266 0.947,1267 1.683,1268 1.31,1269 1.25,1270 1.506,1271 1.531,1272 0.666,1273 1.521,1274 4.654,1276 5.943,1277 2.398,1278 7.414,1279 4.443,1280 8.975,1281 6.26,1282 10.587,1289 28.88,1290 2.729,1292 30.055,1294 -1.202,1300 54.673,1301 131.901,1302 326.875,1303 440.831,1304 509.904,1305 524.659,1306 528.659,1307 126.058,1308 8.847,1309 158.8,1310 158.8,1311 29,1312 12.866,1313 4.755,1314 3.954,1315 85.156,1316 348,1317 324,1318 0.117,1319 331.695,1320 598.9,1321 801.096,1322 118513,1324 33.719,1325 0.702,1326 0.546,1327 33.719,1328 26.22,1329 23.368,1330 0.449,1331 0.3,1332 15.316,1333 22.205,1334 15.107,1335 12.404,1336 23.368,1337 15.603,1338 20.438,1339 0.296,1340 0.16,1341 20.438,1342 11.062,1343 16.453,1344 0.189,1345 0.088,1346 16.453,1347 7.652,1348 13.188,1349 0.122,1350 0.048,1351 13.188,1352 5.185,1353 10.39,1354 0.078,1355 0.026,1356 10.39,1357 3.488,1358 0.192,1359 148.658,1360 0.169,1361 42.759,1362 0.296,1363 242,1364 837.888,1365 275.085,1366 773.603,1367 1025.09,1368 724,1369 277,1370 716.657,1371 308.875,1372 711.695,1373 1039.82,1374 669,1375 7.222} {0 CHEMBL439787,1 1.581,2 11.588,3 4.156,4 17.275,5 130.351,6 8.129,7 0.486,8 4.181,9 4.264,10 3.846,11 3.757,12 5.354,13 3.732,14 4.696,15 4.822,16 4.196,17 4.144,18 5.894,19 4.093,20 4.913,21 5.047,22 4.413,23 4.344,24 6.04,25 4.287,26 5.066,27 5.206,28 4.478,29 4.414,30 6.27,31 4.325,32 5.129,33 5.312,34 4.35,35 4.411,36 6.189,37 4.298,38 5.135,39 5.333,40 4.191,41 4.304,42 6.211,43 4.187,44 5.048,45 5.278,46 4.103,47 4.201,48 6.039,49 4.068,50 4.966,51 5.22,52 3.947,53 4.037,54 6.032,55 3.911,56 0.098,57 0.759,58 11.102,59 5.946,60 13.298,61 6.579,62 0.482,63 1.248,64 25.002,65 10.378,66 53.511,67 11.262,68 0.339,69 1.564,70 29.93,71 12.947,72 40.877,73 14.497,74 0.872,75 1.777,76 38.334,77 15.382,78 83.377,79 16.753,80 0.591,81 1.924,82 43.407,83 16.538,84 72.796,85 18.914,86 1.023,87 1.868,88 43.34,89 15.181,90 107.089,91 17.651,92 0.586,93 1.735,94 39.851,95 14.639,96 62.821,97 18.4,98 0.646,99 1.562,100 39.637,101 13.368,102 92.503,103 16.637,104 35,105 51,106 0.255,107 0.581,108 0.753,109 0.833,110 0.859,111 0.864,112 3.561,113 0.954,114 -4.03,115 -3.98,116 -3.77,118 44.1,123 2,124 3,126 1,140 10,141 5,142 3,154 2,163 1,167 1,168 12,169 1,172 9,175 2,177 2,180 16,181 2,186 8,191 3,194 12,195 2,197 3,198 10,201 2,203 4,206 11,210 3,211 1,215 3,218 12,219 2,221 1,222 2,225 1,227 5,229 7,230 2,234 6,237 1,239 6,242 7,243 2,247 5,252 4,253 1,255 4,256 1,258 1,259 10,262 1,263 1,264 1,267 8,270 2130,271 23.275,272 23.275,273 23.275,274 23.275,275 23.275,276 20.861,277 27.264,278 13.71,279 23.971,280 18.114,281 18.114,282 18.114,283 18.114,284 18.114,285 14.253,286 30.914,287 6.242,288 19.014,289 4.302,290 2.285,291 1.224,292 0.729,293 0.568,294 0.534,295 4.257,300 1,301 842,302 4.062,306 257.435,307 89.58,311 281.699,313 1.484,314 41.135,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 74.5,326 394,327 4.488,328 4.567,329 6.808,330 4.174,331 3.208,332 4.125,333 3.691,334 11.265,335 3.099,336 4.47,337 3.647,338 6.747,339 4.098,340 3.12,341 4.085,342 1.437,343 10.96,344 3.046,345 4.162,346 3.582,347 6.137,348 3.778,349 2.781,350 3.771,351 1.151,352 8.959,353 2.765,354 3.825,355 3.307,356 5.823,357 3.455,358 2.469,359 3.196,360 1.058,361 7.815,362 2.421,363 3.466,364 2.959,365 5.267,366 3.111,367 2.174,368 2.687,369 0.86,370 6.345,371 2.062,372 3.355,373 2.836,374 5.164,375 3.045,376 2.099,377 2.604,378 0.86,379 6.02,380 1.935,381 3.323,382 2.735,383 5.024,384 2.972,385 2.061,386 2.477,387 0.462,388 5.659,389 1.867,390 2.929,391 2.555,392 4.264,393 2.496,394 1.542,395 2.1,397 3.648,398 1.478,399 2.775,400 2.01,401 3.976,402 2.424,403 1.461,404 1.841,406 3.454,407 1.383,408 2.743,409 1.711,410 3.832,411 2.288,412 1.295,413 1.816,415 3.115,416 1.285,417 2.736,418 1.496,419 3.751,420 2.258,421 1.261,422 1.781,424 2.917,425 1.234,426 2.56,427 1.439,428 3.609,429 2.183,430 1.222,431 1.549,433 2.741,434 1.155,435 2.15,436 1.404,437 3.379,438 1.799,439 0.867,440 1.064,442 2.031,443 0.794,444 1.836,445 1.308,446 3.2,447 1.561,448 0.683,449 0.766,451 1.535,452 0.591,453 1.721,454 1.274,455 3.08,456 1.416,457 0.519,458 0.593,460 0.98,461 0.457,462 16.233,463 0.477,464 0.73,465 0.021,466 43.75,467 1.287,468 22.5,469 0.662,470 21.25,471 0.625,472 31.252,473 0.919,474 36.567,475 0.62,476 36.69,477 1.079,478 8.735,479 0.257,480 7.793,481 0.229,482 0.123,484 0.339,487 0.812,488 1.083,489 0.733,490 0.966,491 0.679,492 0.894,493 0.972,494 0.915,495 1.074,496 0.972,497 0.564,498 0.868,499 0.901,500 1.11,501 0.969,502 1.099,503 0.747,504 0.969,505 0.916,506 1.119,507 1.19,508 1.182,509 0.956,510 1.11,511 0.93,512 1.176,513 1.232,514 1.222,515 0.942,516 1.133,517 1.12,518 1.009,519 1.179,520 1.021,521 1.111,522 1.111,523 0.724,524 1.133,525 0.919,526 1.085,527 0.745,528 1.086,529 0.963,530 0.843,531 0.901,532 0.826,533 1.26,534 0.811,535 5.5,536 0.299,537 4.222,538 2.875,539 2.234,540 1.219,541 0.591,542 0.425,543 0.343,544 0.344,545 16063,546 49191,547 2.059,548 42.4,550 23,553 2,558 1.763,559 1.925,560 3.465,561 0.177,567 93.258,568 1.581,569 3.598,570 4.658,571 5.153,572 5.315,573 5.349,574 2.748,575 4.631,576 5.065,577 3.693,578 2071.56,579 8.892,580 32145.7,585 347.076,586 1.419,587 5.016,588 0.149,589 0.007,590 0.083,591 0.047,592 0.038,593 0.023,594 0.014,595 0.011,596 0.01,597 0.009,598 0.39,599 0.33,600 0.88,601 0.865,602 181.679,603 -0.063,604 -0.013,605 0.049,606 0.023,607 -0.069,608 0.033,609 -0.026,610 0.148,611 -0.042,612 0.105,613 0.103,614 0.088,615 -0.06,616 -0.065,617 0.034,618 -0.032,619 -0.009,620 0.003,621 0.101,622 -0.081,623 -0.064,624 -0.073,625 0.017,626 -0.139,627 -0.09,628 -0.146,629 -0.116,630 -0.134,631 -0.073,632 -0.127,633 -0.09,634 -0.002,635 -0.162,636 -0.045,637 -0.119,638 -0.139,639 0.039,640 -0.151,641 0.077,642 -0.107,643 0.011,644 -0.061,645 -0.048,646 0.127,647 0.176,648 0.157,649 -0.043,650 0.221,651 2.651,652 5.861,653 0.618,654 31.626,655 1.013,656 1.113,657 2.796,658 7.816,659 0.687,660 3.638,661 3.951,662 4.263,663 4.533,664 4.771,665 4.852,666 4.949,667 5.03,668 5.165,669 5.273,670 7.379,671 0.658,672 479.59,673 3.638,674 5.176,675 6.038,676 6.921,677 7.802,678 8.691,679 9.578,680 10.47,681 11.359,682 12.252,683 1.7,690 1,699 10,704 8,706 18,712 1,714 1,722 3,724 59,726 20,727 3,728 37,730 62,731 26,733 18,734 8,735 10,736 2,739 4,740 7,748 1,751 1,753 20,754 6,756 2,761 2,765 2,772 25,773 7,774 2,775 8,776 1,779 1,784 0.5,785 6,802 3,803 1,807 2,830 1,832 2,833 1,834 1,836 2,840 34,845 1,846 3,847 1,848 3,849 1,850 1,862 10.2,864 1,865 2,867 3,869 17.667,870 11.117,871 7.722,872 3.251,874 3.448,875 1.424,876 0.95,877 7.906,878 11.579,879 3.892,880 4.46,881 5.042,882 5.582,883 6.092,884 6.267,885 6.567,886 6.817,887 7.186,888 7.491,889 1,890 61,891 12.611,893 5.38,894 7.892,895 23.686,897 19.208,899 2.392,900 81.333,904 270.735,905 193.619,906 18.011,908 125.973,910 32.22,911 161.399,912 396.708,913 18.011,914 21.766,915 25.609,916 94.762,917 98.588,918 64.658,920 302.955,922 270.735,923 179.41,924 125.973,925 32.22,927 270.735,928 125.973,931 25.609,932 153.801,934 32.22,935 270.735,936 143.984,937 193.619,940 270.735,941 77.09,942 116.529,943 18.011,944 125.973,945 270.735,946 143.984,947 193.619,949 0.573,950 0.354,951 0.2,952 0.111,953 23,954 11,955 0.129,956 8,957 2,958 1.19,959 4.323,960 321.573,961 0.19,962 21,963 164.974,964 1,968 24.298,969 11.063,970 5.312,972 143.984,973 18.122,978 5.048,980 60.694,981 608.338,982 48,987 24.445,991 -1.268,994 59.745,995 65.657,996 0.269,997 0.612,998 0.792,999 0.876,1000 0.903,1001 0.909,1002 5.127,1003 1.542,1004 6.019,1005 5.659,1006 4.635,1007 5.147,1008 3.672,1009 6.855,1010 4.553,1011 6.322,1012 1.461,1013 7.594,1014 3.648,1015 4.205,1016 4.934,1017 2.218,1018 7.851,1019 4.125,1020 7.629,1021 1.295,1022 9.276,1023 3.454,1024 6.244,1025 7.312,1026 5.855,1027 10.976,1028 6.11,1029 8.974,1030 1.261,1031 11.023,1032 3.115,1033 6.673,1034 7.931,1035 5.197,1036 12.821,1037 6.534,1038 10.354,1039 1.222,1040 12.81,1041 2.917,1042 8.157,1043 9.778,1044 8.368,1045 15.464,1046 7.982,1047 11.757,1048 0.867,1049 14.625,1050 2.741,1051 8.978,1052 10.78,1053 8.083,1054 17.642,1055 8.787,1056 13.179,1057 0.683,1058 16.46,1059 2.031,1060 10.246,1061 12.404,1062 10.926,1063 20.127,1064 10.027,1065 3.208,1066 0.519,1067 18.31,1068 1.535,1069 11.247,1070 13.595,1071 10.89,1072 22.44,1073 11.002,1074 3.12,1075 11.265,1076 20.17,1077 0.98,1078 12.433,1079 15.112,1080 13.492,1081 24.871,1082 12.162,1083 2.781,1084 10.96,1085 22.039,1086 4.125,1087 13.514,1088 16.401,1089 13.647,1090 27.239,1091 13.213,1092 2.469,1093 8.959,1094 23.915,1095 4.085,1096 14.671,1097 17.864,1098 16.062,1099 29.653,1100 14.342,1101 2.174,1102 7.815,1103 25.797,1104 3.771,1105 15.788,1106 19.205,1107 16.372,1108 32.043,1109 15.427,1110 2.099,1111 6.345,1112 27.683,1113 3.196,1114 16.937,1115 20.64,1116 18.636,1117 34.453,1118 16.546,1119 2.061,1120 6.02,1121 29.574,1122 2.687,1123 18.071,1124 22.01,1125 19.075,1126 36.854,1127 17.647,1128 15471,1129 27202,1130 24.561,1131 40.517,1132 54.717,1133 59.583,1134 57.421,1135 54.274,1136 54.459,1137 69.979,1138 19.036,1139 156.357,1140 51.956,1141 5.443,1142 6.567,1143 6.494,1144 5.308,1145 5.208,1146 7.125,1147 7.163,1148 18.626,1149 5.099,1150 17.746,1151 1.479,1152 1.61,1153 1.552,1154 1.467,1155 1.472,1156 1.891,1157 0.514,1158 4.226,1159 1.404,1160 4.047,1161 4.061,1162 4.086,1163 3.998,1164 7.475,1165 3.988,1166 3.943,1167 3.954,1168 3.905,1169 3.85,1170 7.429,1171 3.86,1172 3.822,1173 3.842,1174 3.773,1175 3.765,1176 6.351,1177 3.762,1178 3.573,1179 3.635,1180 3.702,1181 3.466,1182 4.907,1183 3.409,1184 3.352,1185 3.355,1186 3.335,1187 3.165,1188 4.865,1189 3.179,1190 3.303,1191 3.351,1192 3.271,1193 3.067,1194 4.632,1195 3.073,1196 3.234,1197 3.269,1198 3.144,1199 3.006,1200 4.58,1201 3.026,1202 3.185,1203 3.256,1204 3.004,1205 2.949,1206 4.244,1207 2.95,1208 0.121,1209 0.123,1210 0.184,1211 0.113,1212 0.087,1213 4.488,1214 0.111,1215 4.567,1216 0.1,1217 6.808,1218 0.304,1219 4.174,1220 0.084,1221 3.208,1222 4.125,1223 3.691,1224 11.265,1225 3.099,1226 1.961,1227 1.945,1228 2.042,1229 2.019,1230 1.284,1231 2.031,1232 1.891,1233 1.88,1234 1.976,1235 2.007,1236 1.105,1237 1.996,1238 1.87,1239 1.853,1240 1.966,1241 1.968,1242 1.09,1243 1.968,1244 1.537,1245 1.482,1246 1.746,1247 1.744,1248 1.027,1249 1.762,1250 1.24,1251 1.229,1252 1.59,1253 1.558,1254 0.62,1255 1.565,1256 1.227,1257 1.163,1258 1.55,1259 1.501,1260 0.584,1261 1.494,1262 1.199,1263 1.159,1264 1.453,1265 1.461,1266 0.584,1267 1.461,1268 1.159,1269 1.082,1270 1.344,1271 1.371,1272 0.561,1273 1.386,1274 4.317,1276 5.631,1278 7.151,1279 2.708,1280 8.768,1281 5.38,1282 10.437,1284 3.019,1289 9.492,1290 1.411,1291 2.936,1292 16.64,1293 1.623,1294 -0.134,1300 38.819,1301 93.258,1302 212.267,1303 274.837,1304 304.056,1305 313.566,1306 315.566,1307 75.766,1308 8.131,1309 94.09,1310 119.39,1311 25,1312 12.78,1313 4.392,1314 3.585,1315 56.806,1316 150,1317 130,1318 0.18,1319 240.299,1320 429.43,1321 578.09,1322 44668,1324 24.079,1325 0.708,1326 0.579,1327 24.432,1328 19.685,1329 16.528,1330 0.447,1331 0.318,1332 10.629,1333 15.347,1334 10.25,1335 8.483,1336 16.983,1337 11.766,1338 14.297,1339 0.28,1340 0.173,1341 14.854,1342 8.802,1343 12.399,1344 0.177,1345 0.098,1346 13.095,1347 6.868,1348 10.455,1349 0.114,1350 0.056,1351 11.231,1352 5.175,1353 8.711,1354 0.074,1355 0.033,1356 9.553,1357 3.841,1358 0.283,1359 109.037,1360 0.202,1361 31.239,1362 0.49,1363 176,1364 582.021,1365 215.946,1366 565.031,1367 755.82,1368 530,1369 209,1370 518.253,1371 246.269,1372 535.2,1373 787.11,1374 500,1375 6.071} {0 CHEMBL44,1 1.459,2 8.25,3 2.065,4 4.262,5 70.823,6 9.008,7 0.545,8 3.564,9 3.613,10 3.255,11 3.132,12 4.937,13 3.165,14 3.969,15 4.027,16 3.641,17 3.504,18 5.359,19 3.534,20 4.26,21 4.352,22 3.752,23 3.608,24 5.665,25 3.639,26 4.301,27 4.42,28 3.716,29 3.485,30 5.952,31 3.508,32 4.156,33 4.299,34 3.373,35 3.292,36 5.538,37 3.307,38 3.875,39 4.005,40 3.184,41 3.095,42 5.377,43 3.097,44 3.726,45 3.861,46 2.985,47 2.935,48 5.279,49 2.908,50 3.584,51 3.784,52 2.59,53 2.661,54 4.824,55 2.603,56 0.186,57 0.347,58 4.201,59 2.767,60 27.159,61 2.308,62 0.219,63 0.531,64 5.963,65 4.28,66 25.658,67 3.912,68 0.434,69 0.705,70 10.411,71 5.675,72 62.586,73 5.07,74 0.794,75 0.726,76 13.208,77 5.915,78 100.113,79 6.192,80 0.586,81 0.629,82 13.012,83 5.095,84 82.153,85 4.556,86 0.421,87 0.477,88 8.745,89 3.888,90 66.759,91 3.763,92 0.413,93 0.412,94 7.47,95 3.384,96 59.66,97 3.51,98 0.272,99 0.368,100 7.963,101 3.108,102 39.137,103 3.566,104 17,105 32,106 0.274,107 0.58,108 0.715,109 0.817,110 0.859,111 0.872,112 3.059,113 0.795,114 -2.99,115 -3,116 -2.89,118 50,134 1,135 1,140 6,141 2,142 4,153 1,168 5,172 5,177 6,180 10,186 2,191 2,194 5,197 1,198 7,201 3,202 1,203 4,206 4,210 4,215 2,218 4,225 1,227 3,229 4,237 2,239 4,242 4,252 2,263 1,264 4,270 422,271 13.223,272 13.223,273 13.223,274 13.223,275 13.223,276 11.368,277 13.153,278 7.568,279 13.425,280 10.822,281 10.822,282 10.822,283 10.822,284 10.822,285 8.005,286 15.296,287 3.578,288 11.171,289 3.448,290 1.822,291 1.101,292 0.558,293 0.333,294 0.267,295 3.734,298 1,299 1,300 1,301 354,302 2,306 147.133,310 78.376,313 1.275,314 35.153,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 45,326 165,327 4.597,328 3.699,329 6.89,330 4.24,331 3.248,332 4.252,333 0.86,334 11.436,335 3.225,336 4.183,337 2.998,338 6.226,339 3.772,340 2.787,341 3.79,343 9.2,344 2.738,345 3.782,346 2.742,347 5.256,348 3.342,349 2.37,350 3.236,352 6.469,353 2.297,354 3.484,355 2.53,356 5.076,357 3.075,358 2.114,359 2.807,361 5.967,362 2.022,363 3.312,364 2.361,365 5.015,366 2.919,367 2,368 2.559,370 5.818,371 1.827,372 3.053,373 2.254,374 4.708,375 2.61,376 1.621,377 2.209,379 4.666,380 1.585,381 2.72,382 1.569,383 4.047,384 2.173,385 1.232,386 1.651,388 3.189,389 1.144,390 2.5,391 1,392 3.414,393 2,394 1,395 1.5,397 2.275,398 1,399 1.516,400 0.94,401 2.978,402 1.126,403 0.175,404 0.212,406 0.421,407 0.163,408 1.276,409 0.394,410 2.821,411 0.873,412 -0.111,413 -0.147,415 -0.288,416 -0.107,417 1.07,418 0.031,419 2.623,420 0.636,421 -0.31,422 -0.414,424 -0.746,425 -0.29,426 0.798,427 -0.07,428 2.212,429 0.419,430 -0.507,431 -0.623,433 -1.225,434 -0.459,435 0.5,436 -0.336,437 2,438 0.038,439 -0.838,440 -0.933,442 -2.16,443 -0.729,444 0.3,445 -0.881,446 2,448 -1,449 -1.5,451 -3,452 -1,453 0.114,454 -1,455 1.601,456 -0.343,457 -1.295,458 -1.608,460 -3.122,461 -1.2,462 9.167,463 0.458,464 0.613,465 0.031,466 29.5,467 1.475,468 17,469 0.85,470 12.5,471 0.625,472 11.273,473 0.564,474 20.833,475 0.694,476 21.431,477 1.072,478 6.07,479 0.303,480 3.489,481 0.174,482 0.145,484 0.436,487 0.947,488 0.787,489 0.719,490 0.761,491 0.924,492 0.682,493 0.768,494 1.067,495 0.678,496 1.043,497 0.632,498 0.889,499 1.079,500 1.131,501 0.956,502 1.112,503 1.045,504 1.022,505 0.696,506 1.067,507 0.848,508 1.075,509 0.789,510 1.038,511 1.436,512 0.867,513 1.23,514 0.86,515 1.378,516 0.932,517 1.05,518 1.01,519 1.098,520 1.018,521 1.018,522 1.06,523 0.774,524 1.066,525 1.13,526 1.105,527 0.905,528 1.215,529 0.943,530 1.079,531 1.118,532 1.099,533 0.967,534 1.155,535 4.5,536 0.041,537 2.667,538 2,539 1.511,540 0.792,541 0.423,542 0.177,543 0.197,544 0.04,545 3466,546 12650,547 2.048,548 33.3,550 6,551 1,553 3,558 1.62,559 1.875,560 3.003,561 1.103,563 1,564 1,565 1,567 43.774,568 1.459,569 3.085,570 3.806,571 4.348,572 4.574,573 4.64,574 2.504,575 3.646,576 4.292,577 3.092,578 587.476,579 7.347,580 5737.73,581 1,582 1,584 1,585 147.207,586 1.522,587 4.231,588 0.205,589 0.021,590 0.083,591 0.059,592 0.05,593 0.036,594 0.023,595 0.013,596 0.022,597 0.007,598 0.518,599 0.67,600 1,601 0.68,602 86.757,603 -0.177,604 0.187,605 -0.06,606 0.19,607 -0.211,608 0.135,609 -0.071,610 -0.103,611 -0.012,612 -0.093,613 -0.016,614 -0.048,615 -0.174,616 -0.17,617 -0.124,618 -0.163,619 -0.172,620 -0.135,621 0.34,622 -0.104,623 0.141,624 -0.115,625 0.252,626 -0.081,627 -0.32,628 0.103,629 -0.175,630 0.108,631 -0.261,632 0.049,633 -0.065,634 -0.045,635 -0.119,636 -0.053,637 0.004,638 -0.092,639 0.167,640 -0.103,641 -0.144,642 -0.136,643 0.092,644 -0.227,645 -0.08,646 -0.119,647 0.025,648 -0.103,649 -0.09,650 -0.028,651 2.075,652 5.382,653 0.8,654 13.01,655 1.035,656 1.104,657 1.764,658 3.112,659 0.703,660 3.135,661 3.497,662 3.784,663 4.078,664 4.304,665 4.382,666 4.431,667 4.522,668 4.564,669 4.477,670 4.703,671 0.707,672 270.25,673 3.135,674 4.691,675 5.557,676 6.457,677 7.339,678 8.244,679 9.133,680 10.041,681 10.934,682 11.843,699 6,704 6,706 12,710 1,721 3,722 1,724 30,726 14,727 2,728 22,730 32,731 15,733 12,734 6,735 6,736 3,739 3,740 4,753 15,756 2,761 1,763 1,765 2,768 1,769 1,772 10,773 5,774 3,775 5,784 0.667,785 5,802 3,806 1,823 1,832 2,840 20,845 3,848 1,862 16.7,864 3,865 1,867 1,869 10.667,870 5.267,871 4.306,872 1.574,874 2.728,875 1.402,876 0.915,877 2.969,878 9.507,879 3.434,880 4.078,881 4.677,882 5.252,883 5.764,884 6.032,885 6.295,886 6.665,887 6.983,888 7.264,889 0.833,890 34,891 7.397,893 3.337,894 8.292,895 13.284,897 10.963,899 2.792,900 55.833,904 82.398,905 88.325,908 164.195,911 88.325,912 246.593,915 11.534,916 56.857,917 158.328,918 25.8,919 11.771,920 70.627,922 82.398,923 88.325,924 164.195,927 82.398,928 164.195,932 88.325,935 82.398,936 164.195,937 88.325,940 82.398,941 19.934,942 68.392,944 164.195,945 82.398,946 164.195,947 88.325,949 0.595,950 0.352,951 0.194,952 0.105,953 17,954 8,955 0.031,956 1,957 1,958 1.125,959 3.132,960 156.593,961 0.125,962 16,963 82.439,968 12.721,969 4.667,970 2.188,972 164.195,973 8.401,978 0.242,980 128.05,981 334.918,982 30,987 12.382,989 1.26,991 -0.145,994 31.055,995 33.123,996 0.297,997 0.629,998 0.776,999 0.886,1000 0.932,1001 0.946,1002 4.682,1003 1,1004 5.572,1005 3.189,1006 4.174,1007 4.762,1008 0.908,1009 6.425,1010 4.119,1011 5.926,1012 0.175,1013 7.162,1014 2.275,1015 3.892,1016 4.663,1018 7.413,1019 3.816,1020 7.257,1021 -0.111,1022 8.85,1023 0.421,1024 5.808,1025 6.99,1026 0.739,1027 10.542,1028 5.724,1029 8.621,1030 -0.31,1031 10.596,1032 -0.288,1033 6.293,1034 7.645,1036 12.358,1037 6.207,1038 10.013,1039 -0.507,1040 12.38,1041 -0.746,1042 7.734,1043 9.481,1044 0.593,1045 15.035,1046 7.639,1047 11.427,1048 -0.838,1049 14.191,1050 -1.225,1051 8.582,1052 10.504,1054 17.204,1055 8.49,1056 12.857,1057 -1,1058 16.024,1059 -2.16,1060 9.841,1061 12.127,1062 0.469,1063 19.722,1064 9.742,1065 3.248,1066 -1.295,1067 17.874,1068 -3,1069 10.86,1070 13.342,1072 22.04,1073 10.763,1074 2.787,1075 11.436,1076 19.737,1077 -3.122,1078 12.051,1079 14.864,1080 0.366,1081 24.5,1082 11.948,1083 2.37,1084 9.2,1085 21.611,1086 4.252,1087 13.15,1088 16.181,1090 26.882,1091 13.046,1092 2.114,1093 6.469,1094 23.494,1095 3.79,1096 14.319,1097 17.656,1098 0.283,1099 29.322,1100 14.21,1101 2,1102 5.967,1103 25.384,1104 3.236,1105 15.455,1106 19.027,1108 31.731,1109 15.342,1110 1.621,1111 5.818,1112 27.28,1113 2.807,1114 16.619,1115 20.48,1116 0.217,1117 34.165,1118 16.502,1119 1.232,1120 4.666,1121 29.181,1122 2.559,1123 17.772,1124 21.881,1126 36.587,1127 17.65,1128 3427,1129 6626,1130 14.334,1131 21.08,1132 33.753,1133 34.884,1134 34.856,1135 33.168,1136 33.092,1137 44.434,1138 1.72,1139 98.882,1140 32.003,1141 5.455,1142 5.699,1143 6.304,1144 5.326,1145 5.248,1146 7.252,1147 1.72,1148 18.896,1149 5.225,1150 10.594,1151 1.534,1152 1.586,1153 1.584,1154 1.508,1155 1.504,1156 2.02,1157 0.078,1158 4.495,1159 1.455,1160 4.028,1161 4.032,1162 4,1163 3.947,1164 7.427,1165 3.957,1166 3.854,1167 3.869,1168 3.804,1169 3.783,1170 6.493,1171 3.786,1172 3.453,1173 3.458,1174 3.405,1175 3.321,1176 6.47,1177 3.337,1178 3.041,1179 3.04,1180 2.978,1181 2.813,1182 6.445,1183 2.846,1184 2.902,1185 2.925,1186 2.829,1187 2.735,1188 4.816,1189 2.739,1190 2.854,1191 2.914,1192 2.687,1193 2.72,1194 4.567,1195 2.715,1196 2.694,1197 2.696,1198 2.63,1199 2.455,1200 4.113,1201 2.461,1202 2.643,1203 2.658,1204 2.514,1205 2.251,1206 3.674,1207 2.346,1208 0.209,1209 0.168,1210 0.313,1211 0.193,1212 0.148,1213 4.597,1214 0.193,1215 3.699,1216 0.039,1217 6.89,1218 0.52,1219 4.24,1220 0.147,1221 3.248,1222 4.252,1223 0.86,1224 11.436,1225 3.225,1226 1.968,1227 1.961,1228 2.037,1229 2.065,1230 1.148,1231 2.052,1232 1.835,1233 1.821,1234 1.918,1235 1.932,1236 1.019,1237 1.929,1238 1.388,1239 1.378,1240 1.495,1241 1.555,1242 0.553,1243 1.531,1244 0.913,1245 0.903,1246 1.181,1247 1.207,1248 0.218,1249 1.156,1250 0.886,1251 0.821,1252 1.092,1253 1.075,1254 0.097,1255 1.107,1256 0.815,1257 0.796,1258 0.987,1259 1.062,1260 0.023,1261 1.039,1262 0.597,1263 0.551,1264 0.875,1265 0.902,1267 0.869,1268 0.403,1269 0.42,1270 0.65,1271 0.866,1273 0.802,1274 3.807,1276 5.153,1278 6.708,1280 8.363,1282 10.07,1289 28.407,1292 5.287,1300 21.208,1301 43.774,1302 92.536,1303 114.187,1304 130.452,1305 137.207,1306 139.207,1307 44.256,1308 6.779,1309 90.9,1310 90.9,1311 18,1312 12.362,1313 3.907,1314 3.17,1315 29.879,1316 57,1317 60,1318 0.274,1319 129.037,1320 232.01,1321 306.611,1322 6701,1324 14.276,1325 0.714,1326 0.51,1327 14.276,1328 10.2,1329 9.559,1330 0.434,1331 0.265,1332 5.74,1333 9.159,1334 5.653,1335 4.65,1336 9.559,1337 5.83,1338 9.012,1339 0.282,1340 0.136,1341 9.012,1342 4.363,1343 7.5,1344 0.174,1345 0.07,1346 7.5,1347 3.02,1348 6.618,1349 0.114,1350 0.035,1351 6.618,1352 2.059,1353 5.056,1354 0.069,1355 0.019,1356 5.056,1357 1.363,1358 0.412,1359 60.569,1360 0.264,1361 19.478,1362 0.806,1363 108,1364 385.92,1365 119.958,1366 367.059,1367 487.33,1368 338,1369 129,1370 351.091,1371 140.628,1372 353.458,1373 516.93,1374 332,1375 5.112} {0 CHEMBL440006,1 1.69,2 8,3 2.87,4 8.235,5 111.206,6 8.155,7 0.355,8 4.032,9 4.131,10 3.663,11 3.541,12 5.214,13 3.538,14 4.547,15 4.706,16 4.023,17 3.911,18 5.719,19 3.889,20 4.708,21 4.867,22 4.157,23 4.09,24 5.803,25 4.05,26 4.882,27 5.021,28 4.334,29 4.197,30 6.152,31 4.177,32 5.016,33 5.163,34 4.457,35 4.308,36 6.237,37 4.292,38 5.164,39 5.324,40 4.619,41 4.384,42 6.523,43 4.356,44 5.256,45 5.458,46 4.281,47 4.348,48 6.399,49 4.253,50 5.116,51 5.363,52 3.927,53 4.179,54 6.131,55 4.019,56 0.098,57 0.704,58 9.233,59 4.615,60 11.667,61 5.554,62 0.533,63 1.093,64 19.531,65 7.353,66 41.175,67 9.214,68 0.376,69 1.266,70 23.643,71 9.268,72 39.222,73 11.439,74 0.665,75 1.417,76 30.091,77 10.73,78 76.9,79 12.706,80 0.71,81 1.629,82 32.889,83 12.018,84 71.01,85 14.194,86 1.225,87 1.844,88 41.571,89 13.641,90 126.243,91 16.899,92 1.258,93 1.878,94 51.694,95 15.3,96 122.787,97 19.074,98 0.884,99 1.626,100 47.093,101 14.164,102 95.374,103 18.758,104 46,105 43,106 0.283,107 0.672,108 0.858,109 0.884,110 0.891,111 0.891,112 3.41,113 0.918,114 -3.34,115 -3.33,116 -3.19,118 41.2,119 2,121 1,123 1,124 2,134 2,136 1,137 1,140 4,141 1,142 1,143 1,149 1,152 1,154 1,156 1,168 7,171 2,172 7,175 1,177 1,180 11,185 1,186 5,191 1,194 10,197 3,198 10,201 1,203 3,206 11,209 2,210 8,213 1,215 1,218 4,221 2,222 16,225 2,227 4,229 5,233 3,234 11,237 1,239 1,242 2,247 4,255 4,258 2,259 4,267 1,270 1386,271 19.552,272 19.552,273 19.552,274 19.552,275 19.552,276 17.24,277 23.121,278 11.639,279 20.194,280 15.182,281 15.182,282 15.182,283 15.182,284 15.182,285 11.718,286 27.468,287 5.321,288 16.024,289 3.982,290 1.666,291 0.554,292 0.397,293 0.358,294 0.358,295 4.084,297 1,299 1,300 1,301 480,302 3.742,305 84.501,306 189.21,313 1.103,314 37.85,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 63.833,326 232,327 4.683,328 3.914,329 7.185,330 4.37,331 3.382,332 4.176,333 1.674,334 12.646,335 3.339,336 4.141,337 3.51,338 6.333,339 3.733,340 2.766,341 3.711,342 1.36,343 9.404,344 2.692,345 4.109,346 3.183,347 6.137,348 3.665,349 2.705,350 3.536,351 1.216,352 8.786,353 2.557,354 3.906,355 2.904,356 5.47,357 3.432,358 2.504,359 3.428,360 1.115,361 7.213,362 2.316,363 3.489,364 2.73,365 5.106,366 3.046,367 2.096,368 2.675,369 0.522,370 5.961,371 1.98,372 3.138,373 2.453,374 4.909,375 2.755,376 1.801,377 2.241,379 5.032,380 1.705,381 3.011,382 2.296,383 4.715,384 2.71,385 1.748,386 2.1,388 4.657,389 1.664,390 2.857,391 1.682,392 4.034,393 2.352,394 1.414,395 2.001,397 3.168,398 1.26,399 2.581,400 1.536,401 3.614,402 2.173,403 1.227,404 1.597,406 2.857,407 1.152,408 2.481,409 1.461,410 3.581,411 2.047,412 1.107,413 1.457,415 2.566,416 1.036,417 2.118,418 1.303,419 3.295,420 1.86,421 0.917,422 0.993,424 1.64,425 0.856,426 2.053,427 1.262,428 3.167,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.503,436 0.757,437 3,438 1.297,439 0.395,440 0.416,442 0.714,443 0.351,444 1.311,445 0.618,446 2.724,447 1.012,448 0.039,449 0.045,451 0.081,452 0.036,453 1.244,454 0.472,455 2.576,456 0.824,457 -0.099,458 -0.126,460 -0.214,461 -0.079,462 13.748,463 0.474,464 0.699,465 0.024,466 35,467 1.207,468 16,469 0.552,470 19,471 0.655,472 28.29,473 0.976,474 31.852,475 0.625,476 30.044,477 1.036,478 7.355,479 0.254,480 6.618,481 0.228,482 0.21,484 0.356,487 0.822,488 1.426,489 0.641,490 1.106,491 0.736,492 0.966,493 0.865,494 0.92,495 0.694,496 0.737,497 0.591,498 0.752,499 0.947,500 1.013,501 0.881,502 0.957,503 0.876,504 0.922,505 1.221,506 1.082,507 1.06,508 1.054,509 1.43,510 0.98,511 1.296,512 1.089,513 0.909,514 0.969,515 1.371,516 0.92,517 0.831,518 1.186,519 0.858,520 1.165,521 0.784,522 1.059,523 1.373,524 1.003,525 1.331,526 1.102,527 1.381,528 1.161,529 1.101,530 0.985,531 1.271,532 1.079,533 1.054,534 1.157,535 5,536 0.025,537 3.111,538 2.785,539 2.293,540 2.09,541 1.035,542 0.713,543 0.23,544 0.135,545 8134,546 26296,547 1.993,548 43.1,549 1,550 11,551 1,552 2,553 1,555 6,558 1.735,559 1.832,560 2.937,561 -0.302,562 1,563 1,567 86.193,568 1.69,569 4.007,570 5.118,571 5.275,572 5.314,573 5.314,574 2.378,575 4.582,576 4.827,577 3.133,578 1272.2,579 8.497,580 16731.5,582 1,584 1,585 289.294,586 1.519,587 4.768,588 0.161,589 0.006,590 0.072,591 0.058,592 0.041,593 0.033,594 0.016,595 0.015,596 0.007,597 0.008,598 0.418,599 0.33,600 1,601 1.337,602 141.79,603 -0.065,604 -0.246,605 0.024,606 -0.098,607 -0.082,608 -0.029,609 0.074,610 0.185,611 0.098,612 0.226,613 0.102,614 0.183,615 -0.1,616 0.073,617 0.001,618 0.049,619 -0.099,620 0.043,621 -0.063,622 -0.035,623 -0.075,624 -0.05,625 -0.083,626 -0.046,627 -0.129,628 -0.045,629 -0.004,630 0.011,631 -0.139,632 0.007,633 0.291,634 -0.157,635 0.115,636 -0.188,637 0.325,638 -0.121,639 -0.173,640 -0.055,641 -0.254,642 -0.13,643 -0.196,644 -0.205,645 -0.171,646 -0.077,647 -0.182,648 -0.09,649 -0.125,650 -0.141,651 2.209,652 5.669,653 0.586,654 23.579,655 1.015,656 1.126,657 2.112,658 4.461,659 0.673,660 3.466,661 3.784,662 4.094,663 4.419,664 4.654,665 4.82,666 4.875,667 4.956,668 4.913,669 4.812,670 5.343,671 0.647,672 415.91,673 3.466,674 5.004,675 5.866,676 6.765,677 7.66,678 8.574,679 9.481,680 10.403,681 11.316,682 12.241,683 5.9,691 1,692 1,693 1,699 7,700 1,704 2,705 1,706 11,723 1,724 51,726 15,727 1,728 31,730 53,731 21,733 9,734 2,735 4,736 6,739 3,740 3,741 1,745 2,749 1,753 15,754 6,755 1,756 4,761 1,764 1,765 6,769 1,772 22,773 6,774 1,775 8,776 1,778 1,779 3,784 1,785 4,801 1,802 2,812 1,819 1,822 1,823 2,830 1,831 1,832 3,836 3,837 1,840 29,845 1,846 2,848 2,850 1,861 1,862 7.8,864 1,865 1,866 1,867 1,869 15.833,870 10.11,871 6.639,872 2.976,874 2.484,875 1.347,876 0.929,877 6.905,878 9.644,879 3.726,880 4.301,881 4.853,882 5.405,883 5.84,884 6.17,885 6.493,886 6.852,887 7.119,888 7.3,889 1,890 48,891 10.747,893 4.533,894 7.906,895 19.977,897 15.787,899 2.406,900 69.778,903 1,904 247.193,905 126.632,906 35.47,907 39.149,908 89.828,911 126.632,912 376.17,913 35.47,914 28.533,915 6.698,916 46.952,917 140.479,918 52.809,919 11.771,920 211.88,921 39.149,922 247.193,923 162.102,924 89.828,925 39.149,927 176.567,928 149.455,929 11,931 60.699,932 81.861,933 58.691,935 247.193,936 125.298,937 165.781,940 247.193,941 33.48,942 95.051,944 162.548,945 247.193,946 125.298,947 165.781,949 0.57,950 0.348,951 0.204,952 0.114,953 19,954 10,955 0.132,956 7,958 1,959 3.692,960 267.222,962 17,963 140.881,968 21.31,969 9.397,970 4.45,972 123.399,973 12.259,974 4.052,978 1.102,979 1.818,980 42.683,981 538.272,982 40.5,987 12.669,990 4.604,991 0.87,994 51.774,995 57.429,996 0.298,997 0.706,998 0.902,999 0.93,1000 0.937,1001 0.937,1002 4.968,1003 1.414,1004 5.861,1005 4.657,1006 4.466,1007 4.987,1008 2.733,1009 6.727,1010 4.373,1011 6.184,1012 1.227,1013 7.453,1014 3.168,1015 4.111,1016 4.783,1017 1.06,1018 7.781,1019 3.995,1020 7.508,1021 1.107,1022 9.154,1023 2.857,1024 6.094,1025 7.15,1026 3.339,1027 10.961,1028 5.949,1029 8.87,1030 0.917,1031 10.92,1032 2.566,1033 6.594,1034 7.771,1035 1.679,1036 12.891,1037 6.44,1038 10.265,1039 0.618,1040 12.73,1041 1.64,1042 8.047,1043 9.586,1044 4.127,1045 15.614,1046 7.874,1047 11.684,1048 0.395,1049 14.571,1050 1.372,1051 8.933,1052 10.586,1053 2.248,1054 17.904,1055 8.757,1056 13.122,1057 0.039,1058 16.434,1059 0.714,1060 10.2,1061 12.171,1062 5.016,1063 20.486,1064 10.013,1065 3.382,1066 -0.099,1067 18.314,1068 0.081,1069 11.259,1070 13.36,1071 2.825,1072 22.923,1073 11.071,1074 2.766,1075 12.646,1076 20.209,1077 -0.214,1078 12.468,1079 14.843,1080 5.964,1081 25.465,1082 12.273,1083 2.705,1084 9.404,1085 22.115,1086 4.176,1087 13.606,1088 16.13,1089 3.415,1090 27.96,1091 13.408,1092 2.504,1093 8.786,1094 24.031,1095 3.711,1096 14.802,1097 17.568,1098 6.948,1099 30.494,1100 14.598,1101 2.096,1102 7.213,1103 25.955,1104 3.536,1105 15.976,1106 18.909,1107 4.015,1108 33.013,1109 15.767,1110 1.801,1111 5.961,1112 27.885,1113 3.428,1114 17.174,1115 20.327,1116 7.951,1117 35.546,1118 16.958,1119 1.748,1120 5.032,1121 29.821,1122 2.675,1123 18.367,1124 21.699,1125 4.622,1126 38.075,1127 18.144,1128 8200,1129 14857,1130 19.997,1131 34.307,1132 46.181,1133 47.239,1134 48.964,1135 45.546,1136 45.437,1137 58.606,1138 11.775,1139 132.193,1140 43.042,1141 5.614,1142 5.914,1143 6.954,1144 5.427,1145 5.382,1146 7.176,1147 3.349,1148 20.224,1149 5.339,1150 16.447,1151 1.49,1152 1.524,1153 1.579,1154 1.469,1155 1.466,1156 1.891,1157 0.38,1158 4.264,1159 1.388,1160 4.048,1161 4.078,1162 4.068,1163 3.967,1164 7.433,1165 3.969,1166 3.893,1167 3.945,1168 3.89,1169 3.74,1170 6.473,1171 3.753,1172 3.757,1173 3.785,1174 3.76,1175 3.624,1176 4.975,1177 3.643,1178 3.553,1179 3.59,1180 3.468,1181 3.335,1182 4.926,1183 3.355,1184 3.402,1185 3.439,1186 3.292,1187 3.191,1188 4.704,1189 3.191,1190 3.249,1191 3.318,1192 3.27,1193 3.02,1194 4.497,1195 3.028,1196 3.101,1197 3.17,1198 3.069,1199 2.928,1200 4.455,1201 2.926,1202 2.956,1203 3.016,1204 2.957,1205 2.799,1206 4.339,1207 2.773,1208 0.151,1209 0.126,1210 0.232,1211 0.141,1212 0.109,1213 4.683,1214 0.135,1215 3.914,1216 0.054,1217 7.185,1218 0.408,1219 4.37,1220 0.108,1221 3.382,1222 4.176,1223 1.674,1224 12.646,1225 3.339,1226 1.98,1227 1.962,1228 2.052,1229 2.071,1230 1.297,1231 2.066,1232 1.771,1233 1.742,1234 1.884,1235 1.895,1236 1.014,1237 1.899,1238 1.545,1239 1.493,1240 1.8,1241 1.767,1242 0.937,1243 1.763,1244 1.491,1245 1.433,1246 1.719,1247 1.747,1248 0.88,1249 1.748,1250 1.314,1251 1.261,1252 1.59,1253 1.577,1254 0.651,1255 1.574,1256 1.261,1257 1.202,1258 1.52,1259 1.525,1260 0.58,1261 1.517,1262 1.225,1263 1.156,1264 1.459,1265 1.46,1266 0.45,1267 1.476,1268 0.99,1269 0.931,1270 1.2,1271 1.22,1272 0.248,1273 1.219,1274 4.143,1276 5.46,1277 2.398,1278 6.982,1279 4.443,1280 8.614,1281 6.26,1282 10.312,1284 4.806,1285 6.481,1289 10.788,1290 0.582,1292 10.442,1294 -0.696,1300 33.019,1301 86.193,1302 204.339,1303 261.029,1304 269.029,1305 271.029,1306 271.029,1307 69.724,1308 7.16,1309 85.94,1310 85.94,1311 17,1312 12.748,1313 4,1314 3.392,1315 51.51,1316 88,1317 95,1318 0.282,1319 208.384,1320 372.59,1321 500.216,1322 9909,1323 2,1324 20.966,1325 0.723,1326 0.592,1327 21.466,1328 17.181,1329 13.973,1330 0.451,1331 0.306,1332 8.971,1333 13.007,1334 8.649,1335 7.201,1336 14.261,1337 9.483,1338 12.168,1339 0.283,1340 0.158,1341 12.539,1342 6.798,1343 10.25,1344 0.174,1345 0.084,1346 10.608,1347 4.949,1348 8.861,1349 0.108,1350 0.044,1351 9.158,1352 3.618,1353 6.729,1354 0.065,1355 0.024,1356 6.989,1357 2.462,1358 0.416,1359 91.711,1360 0.224,1361 26.433,1362 0.873,1363 148,1364 500.495,1365 180.168,1366 501.816,1367 665.61,1368 468,1369 176,1370 455.276,1371 203.728,1372 469.389,1373 687.25,1374 438,1375 6.301} {0 CHEMBL440096,1 1.515,2 13.121,3 4.737,4 22.439,5 129.611,6 7.579,7 0.514,8 4.131,9 4.251,10 3.697,11 3.703,12 5.345,13 3.68,14 4.594,15 4.757,16 3.969,17 4.051,18 5.797,19 3.988,20 4.869,21 5.086,22 3.985,23 4.175,24 5.878,25 4.081,26 4.906,27 5.137,28 3.995,29 4.174,30 5.93,31 4.077,32 4.925,33 5.144,34 4.068,35 4.228,36 5.992,37 4.143,38 4.991,39 5.22,40 4.098,41 4.277,42 6.046,43 4.184,44 5.009,45 5.247,46 4.089,47 4.263,48 6.077,49 4.167,50 4.968,51 5.206,52 4.061,53 4.178,54 6.135,55 4.097,56 0.038,57 0.829,58 10.972,59 4.946,60 15.583,61 6.369,62 0.26,63 1.278,64 18.95,65 8.281,66 46.36,67 11.012,68 0.228,69 1.57,70 27.881,71 10.765,72 51.028,73 14.772,74 0.287,75 1.635,76 29.526,77 11.055,78 55.987,79 15.407,80 0.24,81 1.689,82 29.405,83 10.994,84 56.432,85 15.254,86 0.246,87 1.82,88 31.614,89 11.605,90 55.175,91 16.385,92 0.26,93 1.83,94 32.711,95 11.931,96 53.705,97 16.955,98 0.232,99 1.707,100 31.873,101 11.3,102 60.378,103 15.874,104 21,105 44,106 0.244,107 0.601,108 0.766,109 0.877,110 0.899,111 0.899,112 3.531,113 0.908,114 -4.7,115 -4.62,116 -4.34,118 44.8,120 3,124 1,133 1,134 1,140 11,141 3,142 1,143 2,154 2,155 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,176 1,177 4,180 20,181 1,186 3,191 5,194 17,195 1,198 6,201 2,203 8,206 13,207 1,210 8,215 8,218 12,219 1,222 10,227 7,229 10,230 2,234 11,237 1,239 7,242 10,243 3,247 9,248 1,252 6,255 11,256 2,258 2,259 7,262 2,264 4,265 1,267 12,268 1,270 2176,271 22.681,272 22.681,273 22.681,274 22.681,275 22.681,276 19.675,277 19.779,278 14.304,279 22.995,280 17.33,281 17.33,282 17.33,283 17.33,284 17.33,285 12.905,286 22.805,287 6.804,288 17.798,289 4.343,290 2.127,291 1.104,292 0.414,293 0.276,294 0.276,295 4.219,299 1,300 1,301 901,302 4.472,306 385.302,313 1.95,314 26.607,317 1,318 0.83,319 0.83,320 0.6,321 0.5,322 0.83,323 0.5,324 0.73,325 70.5,326 433,327 4.393,328 3.927,329 6.508,330 4.026,331 3.03,332 3.988,333 2.341,334 10.225,335 3.019,336 4.02,337 3.596,338 5.623,339 3.613,340 2.666,341 3.506,342 1.474,343 7.794,344 2.544,345 3.894,346 3.098,347 5.365,348 3.496,349 2.505,350 3.446,351 0.995,352 7.01,353 2.477,354 3.779,355 2.994,356 5.236,357 3.24,358 2.285,359 3.127,360 0.546,361 6.534,362 2.219,363 3.552,364 2.704,365 4.897,366 3.237,367 2.232,368 2.787,369 0.124,370 5.548,371 2.168,372 3.47,373 2.448,374 4.659,375 2.948,376 1.98,377 2.706,379 5.183,380 1.91,381 3.273,382 2.086,383 4.115,384 2.572,385 1.584,386 2.168,388 3.732,389 1.562,390 2.982,391 1.853,392 3.64,393 2.49,394 1.501,395 2.095,397 3.149,398 1.483,399 2.908,400 1.621,401 3.564,402 2.377,403 1.398,404 1.794,406 2.947,407 1.365,408 2.726,409 1.478,410 3.496,411 2.185,412 1.196,413 1.683,415 2.624,416 1.182,417 2.636,418 1.21,419 3.261,420 2,421 1.085,422 1.623,424 2.136,425 1,426 2.5,427 1.101,428 3.247,429 2,430 1,431 1.5,433 2.136,434 0.991,435 2.5,436 1,437 3.247,438 1.957,439 1,440 1.5,442 1.959,443 0.954,444 2.204,445 1,446 3.201,447 1.802,448 0.805,449 1.062,451 1.923,452 0.799,453 1.854,454 0.998,455 3.024,456 1.471,457 0.536,458 0.642,460 1.167,461 0.5,462 15.667,463 0.475,464 0.52,465 0.016,466 46.25,467 1.402,468 26,469 0.788,470 20.25,471 0.614,472 24.763,473 0.75,474 34.133,475 0.589,476 36.952,477 1.12,478 9.425,479 0.286,480 6.727,481 0.204,482 0.068,484 0.223,487 0.849,488 1.182,489 0.807,490 0.987,491 0.644,492 0.905,493 0.472,494 1,495 0.936,496 1.1,497 0.38,498 1.087,499 0.928,500 1.073,501 1.01,502 1.03,503 0.782,504 1.034,505 0.831,506 1.011,507 0.966,508 0.988,509 0.691,510 0.995,511 0.915,512 1.097,513 0.99,514 1.002,515 0.826,516 1.002,517 0.823,518 1.109,519 1.006,520 1.022,521 0.724,522 1.027,523 0.757,524 1.046,525 0.96,526 1.01,527 0.71,528 1.001,529 0.962,530 1.072,531 0.922,532 1.013,533 0.943,534 0.96,535 5,536 0.173,537 2.222,538 1.5,539 1.004,540 0.569,541 0.566,542 0.55,543 0.333,544 0.251,545 15257,546 45029,547 2.047,548 43.1,549 4,550 14,552 2,553 3,554 2,558 1.757,559 1.96,560 3.673,561 0.802,567 87.845,568 1.515,569 3.731,570 4.754,571 5.444,572 5.582,573 5.582,574 3.121,575 4.681,576 5.011,577 3.848,578 2031.89,579 8.807,580 31668.8,582 1,585 339.763,586 1.152,587 4.997,588 0.143,589 0.005,590 0.051,591 0.034,592 0.023,593 0.012,594 0.012,595 0.011,596 0.007,597 0.006,598 0.304,599 0.17,600 0.88,601 1.416,602 176.922,603 -0.085,604 -0.059,605 0.011,606 0.022,607 -0.022,608 0.028,609 0.26,610 0.073,611 -0.069,612 -0.097,613 0.195,614 -0.127,615 -0.097,616 -0.084,617 -0.061,618 -0.03,619 -0.083,620 -0.042,621 -0.015,622 -0.018,623 -0.001,624 -0.001,625 -0.017,626 -0.003,627 -0.097,628 -0.082,629 -0.041,630 -0.019,631 -0.076,632 -0.023,633 -0.084,634 -0.084,635 -0.057,636 -0.048,637 -0.057,638 -0.047,639 -0.017,640 -0.035,641 0.003,642 -0.035,643 -0.007,644 -0.013,645 -0.027,646 -0.082,647 0.069,648 -0.042,649 0.038,650 0.022,651 2.468,652 3.849,653 0.545,654 40.422,655 1,656 1.122,657 3.475,658 12.073,659 0.682,660 3.584,661 3.807,662 3.989,663 4.205,664 4.394,665 4.382,666 4.522,667 4.625,668 4.635,669 4.644,670 7.801,671 0.652,672 439.56,673 3.584,674 5.069,675 5.866,676 6.696,677 7.515,678 8.354,679 9.185,680 10.03,681 10.868,682 11.717,683 8.6,685 1,688 1,692 2,693 1,699 13,700 1,704 4,706 18,717 1,724 58,726 22,727 2,728 35,730 60,731 26,733 17,734 3,735 9,736 2,739 3,740 3,743 1,751 3,752 1,753 21,754 4,756 3,761 1,763 1,764 1,765 3,772 25,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 3,818 1,822 1,823 1,826 1,830 1,832 3,840 33,845 1,846 4,847 2,853 1,858 1,860 1,862 3.4,864 1,865 1,869 16.833,870 10.133,871 7.639,872 3.368,874 3.019,875 1.416,876 0.953,877 9.206,878 10.284,879 3.912,880 4.401,881 4.881,882 5.395,883 5.881,884 5.967,885 6.362,886 6.702,887 6.954,888 7.205,889 0.889,890 44,891 12.091,893 4.904,894 7.869,895 22.834,897 17.787,899 2.369,900 78.167,903 1,904 258.964,905 176,906 100.652,908 67.828,911 176,912 326.793,913 100.652,915 9.709,916 131.726,917 143.25,918 81.439,919 1.899,920 235.422,922 258.964,923 276.652,924 67.828,927 258.964,928 67.828,931 93.66,932 138.72,933 44.273,935 258.964,936 168.48,937 176,940 258.964,941 28.017,942 131.81,943 52.194,944 132.459,945 258.964,946 168.48,947 176,949 0.549,950 0.3,951 0.166,952 0.092,953 16,954 7,955 0.183,956 11,958 1,959 4.464,960 280.498,962 18,963 162.465,968 23.722,969 12.807,970 7.92,972 168.48,973 24.953,974 4.22,978 3.727,980 78.705,981 603.444,982 49,987 10.849,989 2.039,990 3.864,991 0.518,994 58,995 65.062,996 0.259,997 0.637,998 0.811,999 0.929,1000 0.953,1001 0.953,1002 5.097,1003 1.501,1004 5.784,1005 3.732,1006 4.489,1007 5.088,1008 2.779,1009 6.479,1010 4.441,1011 6.269,1012 1.398,1013 7.259,1014 3.149,1015 3.761,1016 4.511,1017 2.331,1018 7.154,1019 3.702,1020 7.531,1021 1.196,1022 8.837,1023 2.947,1024 5.953,1025 7.148,1026 3.867,1027 10.246,1028 5.868,1029 8.824,1030 1.085,1031 10.481,1032 2.624,1033 6.089,1034 7.389,1035 4.148,1036 11.851,1037 5.999,1038 10.146,1039 1,1040 12.172,1041 2.136,1042 7.686,1043 9.46,1044 5.301,1045 14.427,1046 7.575,1047 11.49,1048 1,1049 13.897,1050 2.136,1051 8.263,1052 10.134,1053 5.904,1054 16.434,1055 8.153,1056 12.851,1057 0.805,1058 15.647,1059 1.959,1060 9.58,1061 11.912,1062 6.888,1063 18.837,1064 9.455,1065 3.03,1066 0.536,1067 17.417,1068 1.923,1069 10.398,1070 12.845,1071 7.632,1072 21.022,1073 10.277,1074 2.666,1075 10.225,1076 19.204,1077 1.167,1078 11.581,1079 14.452,1080 8.541,1081 23.369,1082 11.451,1083 2.505,1084 7.794,1085 21.004,1086 3.988,1087 12.529,1088 15.548,1089 9.345,1090 25.631,1091 12.404,1092 2.285,1093 7.01,1094 22.816,1095 3.506,1096 13.654,1097 17.055,1098 10.222,1099 27.96,1100 13.524,1101 2.232,1102 6.534,1103 24.636,1104 3.446,1105 14.671,1106 18.254,1107 11.052,1108 30.256,1109 14.546,1110 1.98,1111 5.548,1112 26.465,1113 3.127,1114 15.772,1115 19.702,1116 11.914,1117 32.58,1118 15.646,1119 1.584,1120 5.183,1121 28.301,1122 2.787,1123 16.826,1124 20.967,1125 12.756,1126 34.891,1127 16.704,1128 15007,1129 25911,1130 23.633,1131 39.551,1132 51.381,1133 52.994,1134 50.888,1135 49.894,1136 49.849,1137 67.526,1138 10.96,1139 128.684,1140 48.59,1141 5.288,1142 5.927,1143 6.31,1144 5.063,1145 5.03,1146 6.988,1147 3.925,1148 17.029,1149 5.019,1150 14.009,1151 1.468,1152 1.514,1153 1.454,1154 1.426,1155 1.424,1156 1.929,1157 0.313,1158 3.677,1159 1.388,1160 4.016,1161 4.048,1162 3.962,1163 3.952,1164 7.474,1165 3.951,1166 3.909,1167 3.944,1168 3.836,1169 3.847,1170 6.832,1171 3.839,1172 3.809,1173 3.851,1174 3.747,1175 3.714,1176 6.351,1177 3.716,1178 3.695,1179 3.741,1180 3.582,1181 3.549,1182 4.929,1183 3.545,1184 3.568,1185 3.637,1186 3.526,1187 3.33,1188 4.8,1189 3.373,1190 3.378,1191 3.407,1192 3.292,1193 3.21,1194 4.737,1195 3.222,1196 3.195,1197 3.274,1198 3.098,1199 3.004,1200 4.526,1201 3.014,1202 3.051,1203 3.099,1204 2.941,1205 2.846,1206 4.231,1207 2.863,1208 0.126,1209 0.112,1210 0.186,1211 0.115,1212 0.087,1213 4.393,1214 0.114,1215 3.927,1216 0.067,1217 6.508,1218 0.292,1219 4.026,1220 0.086,1221 3.03,1222 3.988,1223 2.341,1224 10.225,1225 3.019,1226 1.978,1227 1.954,1228 2.075,1229 2.061,1230 1.283,1231 2.066,1232 1.91,1233 1.879,1234 2.04,1235 2.003,1236 1.153,1237 2.016,1238 1.791,1239 1.755,1240 1.923,1241 1.914,1242 1.123,1243 1.916,1244 1.678,1245 1.629,1246 1.887,1247 1.856,1248 0.943,1249 1.868,1250 1.457,1251 1.388,1252 1.606,1253 1.713,1254 0.702,1255 1.685,1256 1.322,1257 1.286,1258 1.526,1259 1.533,1260 0.671,1261 1.523,1262 1.144,1263 1.076,1264 1.325,1265 1.379,1266 0.367,1267 1.373,1268 0.984,1269 0.944,1270 1.218,1271 1.226,1272 0.298,1273 1.214,1274 4.263,1276 5.509,1278 6.944,1280 8.466,1282 10.036,1289 8.914,1290 1.839,1291 6.329,1298 9.088,1299 1.826,1300 37.805,1301 87.845,1302 216.406,1303 275.709,1304 315.763,1305 323.763,1306 323.763,1307 64.959,1308 7.265,1309 110.4,1310 110.4,1311 18,1312 12.279,1313 4.524,1314 3.907,1315 63.927,1316 152,1317 156,1318 0.199,1319 238.972,1320 424.2,1321 574.85,1322 14003,1324 23.305,1325 0.706,1326 0.549,1327 23.305,1328 18.108,1329 16.152,1330 0.461,1331 0.303,1332 10.493,1333 15.68,1334 10.275,1335 8.598,1336 16.152,1337 10.599,1338 13.505,1339 0.307,1340 0.165,1341 13.505,1342 7.251,1343 10.325,1344 0.195,1345 0.091,1346 10.325,1347 4.817,1348 8.494,1349 0.129,1350 0.05,1351 8.494,1352 3.269,1353 6.77,1354 0.085,1355 0.027,1356 6.77,1357 2.175,1358 0.315,1359 100.238,1360 0.206,1361 31.028,1362 0.536,1363 158,1364 473.486,1365 170.227,1366 471.801,1367 630.62,1368 438,1369 176,1370 448.948,1371 185.985,1372 460.747,1373 651.64,1374 432,1375 7.959} {0 CHEMBL440321,1 1.476,2 11.724,3 3.789,4 14.36,5 108.221,6 7.567,7 0.387,8 4.038,9 4.128,10 3.597,11 3.588,12 5.23,13 3.574,14 4.564,15 4.691,16 3.928,17 3.962,18 5.757,19 3.922,20 4.866,21 5.05,22 4.01,23 4.109,24 5.934,25 4.044,26 4.971,27 5.175,28 3.973,29 4.081,30 6.068,31 4.015,32 4.889,33 5.091,34 3.937,35 4.089,36 5.897,37 4.012,38 4.937,39 5.149,40 3.927,41 4.13,42 5.949,43 4.03,44 4.939,45 5.171,46 3.871,47 4.097,48 5.98,49 3.987,50 4.818,51 5.037,52 3.786,53 4.008,54 5.865,55 3.904,56 0.078,57 0.653,58 10.173,59 5.191,60 21.677,61 6.071,62 0.381,63 1.053,64 19.084,65 8.599,66 52.829,67 10.404,68 0.336,69 1.386,70 28.095,71 11.449,72 67.696,73 14.474,74 0.723,75 1.466,76 33.865,77 11.888,78 98.298,79 14.904,80 0.473,81 1.396,82 30.034,83 11.497,84 74.844,85 14.612,86 0.529,87 1.463,88 31.665,89 12.441,90 84.318,91 16.216,92 0.576,93 1.462,94 32.758,95 12.33,96 91.65,97 16.396,98 0.391,99 1.31,100 28.17,101 11.003,102 69.947,103 14.451,104 26,105 41,106 0.246,107 0.597,108 0.77,109 0.877,110 0.899,111 0.899,112 3.408,113 0.919,114 -4.04,115 -3.99,116 -3.78,118 44.2,120 3,121 1,124 1,126 1,127 1,133 2,140 8,141 3,142 1,154 2,163 1,167 1,168 15,169 1,171 1,172 7,175 1,177 3,180 15,181 1,186 10,191 3,194 10,195 1,198 12,201 1,203 3,206 8,207 1,210 8,215 2,218 12,219 1,222 5,225 1,227 3,229 16,230 1,233 2,234 4,239 4,242 19,248 2,252 3,255 17,256 1,258 2,259 3,262 2,264 3,267 13,268 1,270 1664,271 19.698,272 19.698,273 19.698,274 19.698,275 19.698,276 17.661,277 20.604,278 11.933,279 19.833,280 15.247,281 15.247,282 15.247,283 15.247,284 15.247,285 12.223,286 20.704,287 5.608,288 15.507,289 4.225,290 2.116,291 1.082,292 0.438,293 0.308,294 0.308,295 4.092,299 1,300 1,301 707,302 3.536,306 300.588,313 1.99,314 37.633,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 63.5,326 340,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.341,334 10.786,335 3.041,336 4.156,337 3.606,338 6.129,339 3.803,340 2.809,341 3.73,342 2.035,343 8.996,344 2.793,345 3.841,346 3.597,347 5.659,348 3.459,349 2.48,350 3.06,351 1.902,352 7.395,353 2.425,354 3.609,355 3.197,356 5.293,357 3.321,358 2.327,359 2.747,360 0.869,361 6.75,362 2.31,363 3.551,364 2.629,365 4.66,366 3.236,367 2.231,368 2.704,369 0.22,370 5.184,371 2.217,372 3.142,373 2.43,374 4.564,375 2.698,376 1.719,377 2.205,379 4.535,380 1.678,381 3.046,382 2.162,383 4.351,384 2.495,385 1.526,386 2.025,388 4.077,389 1.475,390 2.87,391 1.981,392 3.812,393 2.422,394 1.428,395 1.907,397 3.164,398 1.415,399 2.809,400 1.771,401 3.631,402 2.391,403 1.414,404 1.708,406 3.032,407 1.374,408 2.574,409 1.534,410 3.574,411 2,412 1,413 1.5,415 2.54,416 1,417 2.5,418 1.394,419 3.414,420 1.933,421 1,422 1.166,424 2.275,425 0.923,426 2.201,427 1.204,428 3.075,429 1.783,430 0.793,431 0.987,433 1.686,434 0.779,435 1.923,436 1,437 2.818,438 1.454,439 0.504,440 0.815,442 0.798,443 0.477,444 1.365,445 0.751,446 2.634,447 1.076,448 0.114,449 0.134,451 0.251,452 0.108,453 1.065,454 0.443,455 2.462,456 0.746,457 -0.206,458 -0.239,460 -0.456,461 -0.192,462 13.567,463 0.468,464 0.592,465 0.02,466 35.5,467 1.224,468 18,469 0.621,470 17.5,471 0.603,472 24.739,473 0.853,474 31.433,475 0.604,476 27.896,477 0.962,478 7.141,479 0.246,480 6.939,481 0.239,482 0.103,484 0.295,487 0.85,488 1.062,489 0.797,490 1.042,491 0.742,492 0.934,493 0.818,494 1.101,495 0.957,496 1.127,497 0.498,498 1.085,499 0.961,500 1.144,501 0.976,502 1.147,503 0.787,504 1.083,505 1.309,506 0.925,507 1.084,508 0.926,509 0.892,510 0.954,511 1.084,512 0.96,513 1.026,514 0.987,515 0.752,516 0.994,517 0.854,518 0.997,519 0.994,520 1.038,521 0.681,522 1.049,523 0.845,524 0.859,525 0.951,526 0.916,527 0.676,528 0.953,529 0.875,530 1.024,531 0.993,532 1.038,533 0.851,534 1.044,535 5,536 0.19,537 3.111,538 1.438,539 1.258,540 1.042,541 0.646,542 0.306,543 0.324,544 0.261,545 10309,546 32963,547 2.033,548 44.2,549 4,550 13,551 1,553 2,554 2,556 1,558 1.724,559 1.912,560 3.492,561 0.194,563 1,567 76.729,568 1.476,569 3.585,570 4.618,571 5.263,572 5.393,573 5.393,574 3.095,575 4.513,576 4.817,577 3.693,578 1499.16,579 8.422,580 20685.2,582 1,584 1,585 296.423,586 1.358,587 4.792,588 0.161,589 0.008,590 0.076,591 0.033,592 0.031,593 0.026,594 0.017,595 0.008,596 0.01,597 0.009,598 0.379,599 0.33,600 1,601 1.665,602 148.021,603 -0.075,604 0.027,605 0.012,606 0.035,607 -0.063,608 0.041,609 0.102,610 -0.069,611 -0.076,612 -0.086,613 0.104,614 -0.113,615 -0.061,616 -0.161,617 -0.034,618 -0.14,619 -0.04,620 -0.092,621 -0.122,622 0.029,623 -0.061,624 0.037,625 -0.058,626 0.008,627 -0.121,628 0.012,629 -0.053,630 0.004,631 -0.059,632 -0.007,634 -0.042,635 -0.03,636 -0.035,637 -0.002,638 -0.039,639 -0.001,640 0.094,641 0.034,642 0.073,643 0.026,644 0.06,645 -0.061,646 -0.064,647 -0.03,648 -0.039,649 -0.085,650 -0.031,651 2.49,652 4.336,653 0.621,654 33.289,655 1.009,656 1.118,657 2.81,658 7.897,659 0.666,660 3.466,661 3.738,662 3.97,663 4.19,664 4.443,665 4.522,666 4.654,667 4.745,668 4.86,669 4.942,670 6.96,671 0.642,672 393.47,673 3.466,674 4.977,675 5.802,676 6.655,677 7.506,678 8.371,679 9.235,680 10.108,681 10.979,682 11.857,683 1.9,692 1,699 8,704 4,706 12,707 1,721 1,724 52,726 15,727 2,728 31,730 54,731 23,733 12,734 4,735 8,739 3,740 3,748 1,749 1,751 4,752 1,753 15,754 7,755 1,756 2,761 1,763 2,765 1,769 1,772 23,773 6,774 2,775 6,779 1,784 1,785 5,802 3,818 1,822 2,830 1,831 2,832 3,840 29,845 2,846 4,848 2,850 3,853 1,858 1,860 1,862 9.6,864 2,865 1,866 2,869 15.167,870 8.933,871 6.611,872 3.053,874 2.176,875 1.3,876 0.91,877 7.292,878 9.432,879 3.738,880 4.205,881 4.673,882 5.119,883 5.601,884 5.716,885 5.995,886 6.137,887 6.466,888 6.831,889 1,890 43,891 10.739,893 4.559,894 8.011,895 20.112,897 16.345,899 2.511,900 72.833,902 1,903 1,904 247.193,905 134.386,906 31.059,908 132.511,911 134.386,912 379.705,913 31.059,915 12.196,916 95.122,917 150.023,918 40.616,919 11.771,920 235.422,922 247.193,923 165.446,924 132.511,927 235.422,928 122.283,929 22,930 0.36,931 43.255,932 102.878,933 18.952,935 247.193,936 163.571,937 134.386,940 247.553,941 22.663,942 94.762,943 16.602,944 163.571,945 247.193,946 163.571,947 134.386,949 0.565,950 0.32,951 0.166,952 0.093,953 17,954 8,955 0.13,956 7,958 1,959 4.053,960 242.903,962 18,963 136.881,968 20.917,969 10.11,970 5.601,972 163.571,973 14.117,978 2.224,980 85.367,981 545.15,982 41,987 10.63,989 3.79,991 -0.823,994 52.458,995 58.113,996 0.259,997 0.629,998 0.81,999 0.923,1000 0.946,1001 0.946,1002 4.963,1003 1.428,1004 5.759,1005 4.077,1006 4.419,1007 4.89,1008 3.25,1009 6.524,1010 4.381,1011 6.132,1012 1.414,1013 7.288,1014 3.164,1015 3.892,1016 4.443,1017 2.521,1018 7.38,1019 3.836,1020 7.403,1021 1,1022 8.922,1023 3.032,1024 5.958,1025 6.912,1026 4.518,1027 10.469,1028 5.885,1029 8.702,1030 1,1031 10.621,1032 2.54,1033 6.275,1034 7.289,1035 4.358,1036 12.201,1037 6.174,1038 10.032,1039 0.793,1040 12.364,1041 2.275,1042 7.785,1043 9.217,1044 5.948,1045 14.809,1046 7.668,1047 11.382,1048 0.504,1049 14.137,1050 1.686,1051 8.509,1052 10.002,1053 6.075,1054 16.9,1055 8.357,1056 12.75,1057 0.114,1058 15.932,1059 0.798,1060 9.784,1061 11.678,1062 7.453,1063 19.346,1064 9.614,1065 3.139,1066 -0.206,1067 17.745,1068 0.251,1069 10.711,1070 12.687,1071 7.759,1072 21.591,1073 10.504,1074 2.809,1075 10.786,1076 19.57,1077 -0.456,1078 11.888,1079 14.225,1080 9.005,1081 23.982,1082 11.659,1083 2.48,1084 8.996,1085 21.407,1086 3.856,1087 12.916,1088 15.364,1089 9.435,1090 26.294,1091 12.65,1092 2.327,1093 7.395,1094 23.251,1095 3.73,1096 14.055,1097 16.824,1098 10.59,1099 28.668,1100 13.762,1101 2.231,1102 6.75,1103 25.103,1104 3.06,1105 15.133,1106 18.04,1107 11.114,1108 31.011,1109 14.804,1110 1.719,1111 5.184,1112 26.961,1113 2.747,1114 16.261,1115 19.453,1116 12.201,1117 33.381,1118 15.902,1119 1.526,1120 4.535,1121 28.823,1122 2.704,1123 17.364,1124 20.716,1125 12.798,1126 35.739,1127 16.97,1128 10252,1129 18398,1130 20.572,1131 34.654,1132 46.808,1133 48.436,1134 46.546,1135 44.994,1136 44.968,1137 57.092,1138 14.733,1139 122.936,1140 44.032,1141 5.334,1142 6.057,1143 6.451,1144 5.181,1145 5.139,1146 6.856,1147 4.376,1148 17.864,1149 5.041,1150 14.768,1151 1.51,1152 1.562,1153 1.501,1154 1.451,1155 1.451,1156 1.842,1157 0.475,1158 3.966,1159 1.42,1160 4.009,1161 4.029,1162 3.949,1163 3.92,1164 7.474,1165 3.923,1166 3.894,1167 3.919,1168 3.839,1169 3.84,1170 6.82,1171 3.836,1172 3.765,1173 3.805,1174 3.659,1175 3.662,1176 6.469,1177 3.653,1178 3.63,1179 3.661,1180 3.533,1181 3.46,1182 6.351,1183 3.467,1184 3.388,1185 3.41,1186 3.31,1187 3.188,1188 4.868,1189 3.211,1190 3.21,1191 3.251,1192 3.148,1193 3.06,1194 4.632,1195 3.074,1196 2.987,1197 3.028,1198 2.862,1199 2.806,1200 4.534,1201 2.809,1202 2.948,1203 2.996,1204 2.821,1205 2.746,1206 4.366,1207 2.747,1208 0.14,1209 0.131,1210 0.216,1211 0.133,1212 0.101,1213 4.334,1214 0.124,1215 4.057,1216 0.076,1217 6.681,1218 0.348,1219 4.109,1220 0.098,1221 3.139,1222 3.856,1223 2.341,1224 10.786,1225 3.041,1226 1.951,1227 1.932,1228 2.067,1229 2.068,1230 1.366,1231 2.066,1232 1.896,1233 1.874,1234 2.001,1235 1.972,1236 1.147,1237 1.982,1238 1.764,1239 1.723,1240 1.948,1241 1.898,1242 1.111,1243 1.916,1244 1.585,1245 1.547,1246 1.799,1247 1.781,1248 1.013,1249 1.783,1250 1.304,1251 1.276,1252 1.513,1253 1.545,1254 0.669,1255 1.527,1256 1.156,1257 1.119,1258 1.294,1259 1.339,1260 0.456,1261 1.323,1262 0.949,1263 0.901,1264 1.218,1265 1.183,1266 0.423,1267 1.189,1268 0.886,1269 0.838,1270 1.181,1271 1.172,1272 0.272,1273 1.157,1274 4.143,1276 5.425,1278 6.907,1280 8.484,1282 10.114,1289 19.07,1290 1.627,1292 12.15,1294 -1.006,1298 8.967,1299 2.088,1300 33.39,1301 76.729,1302 186.395,1303 240.158,1304 273.668,1305 280.423,1306 280.423,1307 70.86,1308 7.256,1309 99.78,1310 99.78,1311 18,1312 12.397,1313 4,1314 3.459,1315 52.24,1316 112,1317 142,1318 0.215,1319 206.716,1320 376.13,1321 496.146,1322 12669,1324 20.64,1325 0.712,1326 0.548,1327 20.64,1328 15.9,1329 14.08,1330 0.454,1331 0.306,1332 9.38,1333 13.588,1334 9.217,1335 7.605,1336 14.08,1337 9.5,1338 12.144,1339 0.296,1340 0.169,1341 12.144,1342 6.914,1343 9.808,1344 0.189,1345 0.093,1346 9.808,1347 4.846,1348 7.798,1349 0.12,1350 0.051,1351 7.798,1352 3.314,1353 6.375,1354 0.076,1355 0.028,1356 6.375,1357 2.354,1358 0.337,1359 88.289,1360 0.22,1361 27.704,1362 0.594,1363 144,1364 467.151,1365 159.197,1366 443.969,1367 581.48,1368 412,1369 165,1370 398.105,1371 179.287,1372 401.805,1373 583.73,1374 377,1375 5} {0 CHEMBL44094,1 1.513,2 18.773,3 4.585,4 21.021,5 162.407,6 7.247,7 0.362,8 4.518,9 4.617,10 4.036,11 3.982,12 5.642,13 3.978,14 5.072,15 5.223,16 4.356,17 4.356,18 6.237,19 4.322,20 5.354,21 5.559,22 4.387,23 4.49,24 6.355,25 4.42,26 5.415,27 5.624,28 4.375,29 4.497,30 6.436,31 4.423,32 5.422,33 5.637,34 4.385,35 4.522,36 6.407,37 4.438,38 5.445,39 5.664,40 4.371,41 4.564,42 6.411,43 4.461,44 5.486,45 5.718,46 4.338,47 4.579,48 6.415,49 4.464,50 5.467,51 5.704,52 4.311,53 4.541,54 6.407,55 4.428,56 0.152,57 1.112,58 18.191,59 8.279,60 25.109,61 10.251,62 0.754,63 1.76,64 34.827,65 13.322,66 92.019,67 17.197,68 0.949,69 2.118,70 49.285,71 17.384,72 102.343,73 23.19,74 1.105,75 2.175,76 53.434,77 18.02,78 126.609,79 23.935,80 1.171,81 2.222,82 53.668,83 18.446,84 122.641,85 24.868,86 1.231,87 2.313,88 54.68,89 19.296,90 126.822,91 26.304,92 1.201,93 2.39,94 57.596,95 19.899,96 128.969,97 27.455,98 0.989,99 2.343,100 56.362,101 19.325,102 128.323,103 26.888,104 35,105 61,106 0.228,107 0.572,108 0.794,109 0.908,110 0.926,111 0.926,112 3.809,113 0.952,114 -4.06,115 -4.01,116 -3.79,118 39.3,120 7,121 1,124 4,126 1,127 1,133 2,140 7,141 2,142 3,143 1,149 1,154 2,156 1,163 2,167 2,168 15,169 2,171 2,172 10,175 2,177 4,180 13,181 3,185 2,186 13,191 5,194 9,195 2,198 12,199 1,201 1,203 4,206 9,207 1,209 2,210 10,211 1,213 1,215 2,218 13,219 1,221 2,222 8,225 2,227 3,229 16,230 2,233 2,234 8,239 4,242 18,243 1,246 1,247 5,248 3,252 3,255 15,256 2,258 3,259 8,262 3,264 4,267 11,268 2,270 4738,271 29.863,272 29.863,273 29.863,274 29.863,275 29.863,276 27.127,277 29.73,278 18.429,279 30.443,280 23.254,281 23.254,282 23.254,283 23.254,284 23.254,285 19.23,286 29.818,287 8.819,288 24.207,289 4.879,290 2.602,291 1.136,292 0.381,293 0.262,294 0.262,295 4.504,301 1744,302 4.95,305 146.122,306 513.676,313 2.576,314 60.355,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 98,326 826,327 4.322,328 3.597,329 6.671,330 4.088,331 3.118,332 3.968,333 2.341,334 10.746,335 3.019,336 4.32,337 3.585,338 6.228,339 3.919,340 2.955,341 3.853,342 1.465,343 9.344,344 2.853,345 3.922,346 3.521,347 5.803,348 3.527,349 2.556,350 3.479,351 1.437,352 7.778,353 2.481,354 3.843,355 3.189,356 5.708,357 3.5,358 2.554,359 3.197,360 0.86,361 7.609,362 2.413,363 3.726,364 2.972,365 5.352,366 3.439,367 2.501,368 2.835,369 0.86,370 6.996,371 2.311,372 3.558,373 2.664,374 5.251,375 3.264,376 2.264,377 2.719,378 0.811,379 6.613,380 2.255,381 3.311,382 2.515,383 4.659,384 3.224,385 2.222,386 2.341,388 5.183,389 2.208,390 3.09,391 2.344,392 4.542,393 2.775,394 1.837,395 2.174,397 4.549,398 1.732,399 2.993,400 2.157,401 4.471,402 2.673,403 1.701,404 2.114,406 4.438,407 1.649,408 2.868,409 1.999,410 3.838,411 2.543,412 1.597,413 2.015,415 3.466,416 1.492,417 2.811,418 1.939,419 3.817,420 2.467,421 1.485,422 1.853,424 3.188,425 1.452,426 2.8,427 1.717,428 3.748,429 2.391,430 1.414,431 1.839,433 3.064,434 1.374,435 2.693,436 1.537,437 3.632,438 2.354,439 1.399,440 1.729,442 3.032,443 1.325,444 2.677,445 1.528,446 3.595,447 2.226,448 1.249,449 1.689,451 2.863,452 1.202,453 2.209,454 1.429,455 3.574,456 2.025,457 1.057,458 1.172,460 2.549,461 1.016,462 20.3,463 0.461,464 0.856,465 0.019,466 49.5,467 1.125,468 21.5,469 0.489,470 28,471 0.636,472 46.514,473 1.057,474 50.5,475 0.601,476 43.501,477 0.989,478 9.877,479 0.224,480 11.525,481 0.262,482 0.082,484 0.266,487 0.875,488 1.361,489 0.831,490 1.231,491 0.783,492 1.055,493 0.896,494 1.157,495 0.99,496 1.156,497 0.514,498 1.099,499 1.007,500 1.016,501 0.986,502 1.056,503 0.792,504 1.024,505 1.178,506 1.01,507 1.059,508 1.036,509 0.906,510 1.027,511 0.999,512 0.979,513 1.001,514 1.012,515 0.696,516 1.012,517 0.861,518 1.007,519 1.014,520 1.041,521 0.656,522 1.065,523 0.897,524 0.986,525 1.022,526 1.007,527 0.802,528 1.042,529 0.898,530 1.039,531 1.001,532 1.055,533 0.931,534 1.055,535 7,536 0.281,537 4,538 2.097,539 1.814,540 1.261,541 0.795,542 0.464,543 0.422,544 0.349,545 39064,546 115982,547 2.046,548 47.6,549 8,550 18,551 2,552 2,553 3,554 2,555 2,556 3,558 1.821,559 1.941,560 4.142,561 0.718,567 127.083,568 1.513,569 3.791,570 5.256,571 6.011,572 6.13,573 6.13,574 3.553,575 5.141,576 5.43,577 4.379,578 4142.89,579 9.609,580 85760,585 536.955,586 1.271,587 5.402,588 0.149,589 0.006,590 0.066,591 0.034,592 0.031,593 0.021,594 0.013,595 0.008,596 0.008,597 0.007,598 0.342,599 0.33,600 0.63,601 1.304,602 263.356,603 -0.074,604 -0.128,605 0.031,606 -0.051,607 -0.07,608 0.003,609 0.051,610 -0.026,611 -0.059,612 -0.081,613 0.154,614 -0.091,615 -0.045,616 -0.014,617 -0.015,618 -0.035,619 -0.027,620 -0.02,621 -0.113,622 -0.041,623 -0.064,624 -0.037,625 -0.056,626 -0.038,627 -0.021,628 -0.003,629 -0.019,630 -0.006,631 0.01,632 -0.012,633 0.03,634 -0.023,635 -0.049,636 -0.024,637 0.021,638 -0.052,639 -0.029,640 -0.016,641 -0.053,642 -0.003,643 -0.055,644 -0.03,645 -0.056,646 -0.068,647 -0.033,648 -0.057,649 -0.086,650 -0.044,651 2.703,652 4.5,653 0.523,654 69.304,655 1.011,656 1.128,657 2.829,658 8.004,659 0.638,660 3.871,661 4.127,662 4.331,663 4.533,664 4.71,665 4.762,666 4.836,667 4.883,668 4.942,669 4.99,670 11.007,671 0.613,672 608.75,673 3.871,674 5.38,675 6.192,676 7.033,677 7.867,678 8.716,679 9.561,680 10.415,681 11.267,682 12.126,683 2.4,691 1,693 1,699 10,700 1,704 5,705 1,706 17,714 1,721 1,722 2,724 84,726 20,727 2,728 47,730 87,731 33,733 15,734 5,735 7,736 1,739 4,740 4,748 1,749 1,751 8,753 19,754 14,755 1,756 3,761 2,763 2,765 2,772 40,773 10,774 3,775 11,778 1,779 2,784 1,785 9,801 1,802 3,818 1,822 2,830 2,831 2,832 4,840 44,845 3,846 11,848 4,850 3,862 10.7,864 3,865 2,866 2,867 2,869 22.667,870 14.25,871 9.972,872 5.107,874 2.701,875 1.329,876 0.904,877 13.572,878 10.905,879 4.086,880 4.557,881 4.986,882 5.429,883 5.786,884 5.875,885 6.059,886 6.145,887 6.359,888 6.601,889 1,890 61,891 16.38,893 6.901,894 7.936,895 30.89,897 24.87,899 2.436,900 107.167,904 435.531,905 164.662,906 18.685,908 222.339,911 164.662,912 657.87,913 18.685,915 33.625,916 94.693,917 251.106,918 49.804,919 23.542,920 388.446,922 435.531,923 183.346,924 222.339,927 376.675,928 259.195,929 22,930 0.36,931 53.19,932 94.059,933 35.738,935 435.531,936 241.024,937 164.662,940 435.89,941 52.302,942 113.899,944 239.125,945 435.531,946 241.024,947 164.662,949 0.563,950 0.312,951 0.164,952 0.088,953 23,954 11,955 0.207,956 18,958 1,959 5.498,960 409.466,962 23,963 240.215,968 33.528,969 17.811,970 10.948,972 239.125,973 16.965,974 4.01,978 1.891,979 1.888,980 128.05,981 841.216,982 58.5,987 22.251,989 3.814,991 -1.866,994 84.938,995 94.77,996 0.237,997 0.593,998 0.822,999 0.94,1000 0.959,1001 0.959,1002 5.3,1003 1.837,1004 6.133,1005 5.183,1006 4.812,1007 5.244,1008 3.103,1009 6.864,1010 4.734,1011 6.443,1012 1.701,1013 7.64,1014 4.549,1015 4.205,1016 4.82,1017 2.243,1018 7.639,1019 4.096,1020 7.701,1021 1.597,1022 9.251,1023 4.438,1024 6.319,1025 7.249,1026 4.068,1027 10.726,1028 6.17,1029 8.992,1030 1.485,1031 10.929,1032 3.466,1033 6.581,1034 7.7,1035 4.112,1036 12.403,1037 6.395,1038 10.318,1039 1.414,1040 12.651,1041 3.188,1042 8.106,1043 9.565,1044 5.398,1045 14.991,1046 7.889,1047 11.667,1048 1.399,1049 14.406,1050 3.064,1051 8.79,1052 10.436,1053 5.889,1054 17.044,1055 8.533,1056 13.036,1057 1.249,1058 16.184,1059 3.032,1060 10.066,1061 12.055,1062 6.93,1063 19.469,1064 9.781,1065 3.118,1066 1.057,1067 17.979,1068 2.863,1069 10.963,1070 13.142,1071 7.625,1072 21.687,1073 10.639,1074 2.955,1075 10.746,1076 19.789,1077 2.549,1078 12.133,1079 14.64,1080 8.558,1081 24.06,1082 11.781,1083 2.556,1084 9.344,1085 21.609,1086 3.968,1087 13.137,1088 15.845,1089 9.342,1090 26.353,1091 12.748,1092 2.554,1093 7.778,1094 23.438,1095 3.853,1096 14.265,1097 17.28,1098 10.228,1099 28.712,1100 13.847,1101 2.501,1102 7.609,1103 25.276,1104 3.479,1105 15.323,1106 18.55,1107 11.051,1108 31.041,1109 14.871,1110 2.264,1111 6.996,1112 27.119,1113 3.197,1114 16.437,1115 19.952,1116 11.917,1117 33.399,1118 15.956,1119 2.222,1120 6.613,1121 28.968,1122 2.835,1123 17.523,1124 21.26,1125 12.755,1126 35.746,1127 17.009,1128 37612,1129 65001,1130 31.493,1131 53.568,1132 68.51,1133 69.382,1134 68.905,1135 67.628,1136 67.607,1137 83.212,1138 15.547,1139 180.202,1140 64.843,1141 5.322,1142 5.597,1143 6.494,1144 5.188,1145 5.118,1146 6.968,1147 3.925,1148 17.818,1149 5.019,1150 22.053,1151 1.458,1152 1.476,1153 1.466,1154 1.439,1155 1.438,1156 1.77,1157 0.331,1158 3.834,1159 1.38,1160 4.009,1161 4.039,1162 3.944,1163 3.903,1164 7.477,1165 3.907,1166 3.946,1167 3.981,1168 3.892,1169 3.846,1170 7.472,1171 3.854,1172 3.893,1173 3.927,1174 3.839,1175 3.698,1176 6.469,1177 3.726,1178 3.783,1179 3.82,1180 3.681,1181 3.672,1182 6.352,1183 3.666,1184 3.726,1185 3.777,1186 3.596,1187 3.596,1188 6.35,1189 3.583,1190 3.624,1191 3.662,1192 3.495,1193 3.457,1194 4.969,1195 3.459,1196 3.442,1197 3.481,1198 3.345,1199 3.242,1200 4.877,1201 3.249,1202 3.397,1203 3.431,1204 3.298,1205 3.167,1206 4.809,1207 3.188,1208 0.092,1209 0.077,1210 0.142,1211 0.087,1212 0.066,1213 4.322,1214 0.084,1215 3.597,1216 0.05,1217 6.671,1218 0.229,1219 4.088,1220 0.064,1221 3.118,1222 3.968,1223 2.341,1224 10.746,1225 3.019,1226 1.935,1227 1.913,1228 2.064,1229 2.058,1230 1.383,1231 2.058,1232 1.891,1233 1.88,1234 2.001,1235 2.013,1236 1.33,1237 2.002,1238 1.773,1239 1.733,1240 1.957,1241 1.915,1242 1.143,1243 1.932,1244 1.734,1245 1.68,1246 1.948,1247 1.892,1248 1.114,1249 1.913,1250 1.629,1251 1.562,1252 1.824,1253 1.861,1254 1.048,1255 1.853,1256 1.588,1257 1.545,1258 1.808,1259 1.787,1260 1.016,1261 1.793,1262 1.402,1263 1.35,1264 1.676,1265 1.626,1266 0.984,1267 1.639,1268 1.31,1269 1.248,1270 1.5,1271 1.528,1272 0.662,1273 1.521,1274 4.554,1276 5.826,1277 2.398,1278 7.276,1279 4.443,1280 8.818,1281 6.26,1282 10.416,1289 28.747,1290 6.09,1292 24.17,1294 -0.793,1300 51.485,1301 127.083,1302 318.413,1303 441.529,1304 504.955,1305 514.955,1306 514.955,1307 129.344,1308 8.204,1309 149.57,1310 149.57,1311 23,1312 12.679,1313 4.392,1314 3.644,1315 85.417,1316 298,1317 280,1318 0.135,1319 315.098,1320 569.39,1321 760.598,1322 54005,1324 31.15,1325 0.708,1326 0.56,1327 31.15,1328 24.624,1329 21.402,1330 0.455,1331 0.317,1332 14.655,1333 20.365,1334 14.458,1335 11.904,1336 21.402,1337 14.908,1338 18.471,1339 0.303,1340 0.174,1341 18.471,1342 10.591,1343 14.463,1344 0.193,1345 0.097,1346 14.463,1347 7.295,1348 11.484,1349 0.125,1350 0.054,1351 11.484,1352 4.951,1353 8.873,1354 0.081,1355 0.03,1356 8.873,1357 3.35,1358 0.223,1359 135.952,1360 0.178,1361 39.958,1362 0.343,1363 216,1364 734.152,1365 245.542,1366 676.834,1367 889.61,1368 632,1369 244,1370 615.202,1371 271.778,1372 609.411,1373 887.14,1374 573,1375 7.222} {0 CHEMBL44149,1 1.629,2 7.737,3 2.192,4 4.806,5 69.04,6 8.267,7 0.714,8 3.576,9 3.664,10 3.227,11 3.105,12 4.809,13 3.124,14 4.058,15 4.195,16 3.595,17 3.482,18 5.358,19 3.491,20 4.197,21 4.335,22 3.533,23 3.551,24 5.38,25 3.518,26 4.315,27 4.492,28 3.426,29 3.501,30 5.448,31 3.451,32 4.182,33 4.392,34 3.352,35 3.365,36 5.283,37 3.321,38 4.088,39 4.278,40 3.271,41 3.275,42 5.355,43 3.216,44 3.97,45 4.213,46 2.768,47 3.015,48 5.058,49 2.908,50 3.606,51 3.861,52 2.492,53 2.612,54 4.743,55 2.513,56 0.083,57 0.44,58 5.174,59 2.709,60 8.868,61 2.984,62 0.277,63 0.703,64 9.97,65 4.265,66 33.565,67 4.983,68 0.269,69 0.746,70 11.799,71 5.441,72 20.162,73 6.22,74 0.382,75 0.8,76 15.451,77 5.959,78 41.466,79 6.924,80 0.335,81 0.709,82 14.425,83 5.235,84 33.577,85 6.658,86 0.365,87 0.66,88 12.126,89 4.714,90 30.885,91 6.105,92 0.327,93 0.56,94 12.716,95 4.089,96 44.617,97 5.271,98 0.288,99 0.384,100 9.159,101 2.747,102 29.571,103 3.778,104 11,105 30,106 0.303,107 0.73,108 0.853,109 0.881,110 0.881,111 0.881,112 3.011,113 0.837,114 -2.73,115 -2.75,116 -2.67,118 45.2,119 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 4,175 1,177 1,180 6,181 2,185 1,186 6,191 2,194 5,195 2,198 5,203 2,206 3,207 1,209 1,210 4,211 1,215 1,218 1,219 1,221 1,222 5,225 1,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 11.517,278 7.406,279 12.905,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 15.256,287 3.525,288 10.639,289 3.325,290 1.028,291 0.371,292 0.218,293 0.218,294 0.218,295 3.685,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 20.461,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 42,326 147,327 4.638,328 3.584,329 6.704,330 4.196,331 3.198,332 4.594,333 1.437,334 10.835,335 3.193,336 4.05,337 3.288,338 5.922,339 3.688,340 2.696,341 3.55,342 0.522,343 8.225,344 2.67,345 3.904,346 2.701,347 5.583,348 3.445,349 2.51,350 3.427,352 7.379,353 2.339,354 3.457,355 2.259,356 5.231,357 3.025,358 2.035,359 2.817,361 6.218,362 2.006,363 3.125,364 1.843,365 4.78,366 2.679,367 1.684,368 2.387,370 4.99,371 1.674,372 2.766,373 1.772,374 3.803,375 2.244,376 1.249,377 1.785,379 2.928,380 1.225,381 2.573,382 1.22,383 3.591,384 2.075,385 1.134,386 1.598,388 2.58,389 1.063,390 2.175,391 0.944,392 3.368,393 1.756,394 0.761,395 1.04,397 1.912,398 0.756,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.283,409 0.472,410 2.773,411 0.963,412 -0.019,413 -0.023,415 -0.049,416 -0.018,417 0.796,418 0.186,419 2.379,420 0.412,421 -0.564,422 -0.713,424 -1.469,425 -0.544,426 0.649,427 -0.361,428 2.241,429 0.182,430 -0.819,431 -1.14,433 -2,434 -0.817,435 0.446,436 -0.749,437 2.087,438 0.003,439 -1,440 -1.303,442 -2.496,443 -0.956,444 0.251,445 -0.917,446 1.666,447 -0.099,448 -1.065,449 -1.487,451 -2.869,452 -1.058,453 -0.118,454 -1.224,455 1.338,456 -0.503,457 -1.471,458 -1.828,460 -3.618,461 -1.416,462 8.8,463 0.463,464 0.524,465 0.028,466 26.25,467 1.382,468 13.5,469 0.711,470 12.75,471 0.671,472 12.029,473 0.633,474 20,475 0.645,476 17.211,477 0.906,478 5.451,479 0.287,480 3.697,481 0.195,482 0.133,484 0.386,487 0.841,488 1.296,489 0.694,490 1.043,491 0.729,492 0.874,493 0.728,494 0.858,495 0.729,496 0.826,497 0.416,498 0.765,499 0.957,500 1.079,501 1.053,502 1.185,503 0.721,504 1.159,505 1.256,506 1.097,507 1.204,508 1.134,509 1.039,510 1.161,511 0.921,512 0.89,513 0.873,514 0.902,515 0.808,516 0.881,517 0.585,518 1.243,519 0.959,520 1.221,521 0.645,522 1.19,523 1.16,524 0.896,525 1.225,526 0.904,527 1.398,528 1.042,529 0.89,530 0.764,531 1.032,532 0.755,533 1.381,534 0.898,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 10463,547 2.081,548 38.7,549 3,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.969,561 -0.249,563 1,564 1,565 1,567 50.503,568 1.629,569 3.926,570 4.583,571 4.736,572 4.736,573 4.736,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,584 1,585 153.58,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.67,600 1,601 0.868,602 81.64,603 -0.094,604 -0.205,605 0.032,606 -0.058,607 -0.104,609 0.082,610 0.239,611 0.095,612 0.13,613 0.206,614 0.131,615 -0.074,616 -0.099,617 -0.199,618 -0.187,619 -0.026,620 -0.219,621 -0.215,622 -0.169,623 -0.235,624 -0.156,625 -0.141,626 -0.195,627 -0.012,628 0.047,629 0.135,630 0.078,631 -0.011,632 0.132,633 0.269,634 -0.288,635 0.002,636 -0.25,637 0.188,638 -0.202,639 -0.205,640 0.024,641 -0.149,642 0.054,643 -0.257,644 -0.014,645 0.093,646 0.167,647 0.089,648 0.188,649 -0.15,650 0.137,651 2.598,652 3.976,653 0.737,654 13.645,655 1.019,656 1.119,657 1.503,658 2.258,659 0.683,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.672,672 256.28,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 6.5,691 1,693 1,698 2,699 6,700 1,702 1,704 3,705 1,706 15,714 1,724 31,726 16,727 1,728 21,730 33,731 14,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 2,756 1,761 1,765 1,769 1,771 1,772 12,773 4,774 1,775 5,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,836 1,840 19,845 1,846 1,862 9.7,864 1,865 1,867 1,869 9.833,870 5.933,871 4.111,872 1.722,874 2.886,875 1.437,876 0.975,877 2.875,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.982,893 3,894 7.974,895 13.019,897 10.602,899 2.474,900 47,901 0.001,904 129.482,905 86.212,906 18.685,908 77.336,911 86.212,912 206.818,913 18.685,914 8.825,915 2.106,916 37.476,917 117.684,918 29.398,919 22.056,920 94.169,922 129.482,923 104.897,924 77.336,927 129.482,928 77.336,931 30.496,932 57.615,933 16.786,935 129.482,936 96.02,937 86.212,940 129.482,941 22.245,942 65.866,944 94.121,945 129.482,946 96.02,947 86.212,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.091,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,968 11.994,969 4.555,970 2.15,971 1.549,972 94.121,973 10.177,974 3.983,976 5.765,978 2.049,979 1.906,980 42.683,981 311.714,982 29.5,987 10.976,991 -0.932,994 31.604,995 34.701,996 0.329,997 0.792,998 0.925,999 0.956,1000 0.956,1001 0.956,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 4.068,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.717,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.651,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 6.133,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.556,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 8.406,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.643,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.659,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.831,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.921,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 14.074,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 15.197,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 16.347,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 17.486,1128 3153,1129 5781,1130 13.929,1131 21.182,1132 32.326,1133 32.621,1134 32.535,1135 31.75,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 31.004,1141 5.422,1142 5.584,1143 6.318,1144 5.246,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 5.193,1150 8.916,1151 1.539,1152 1.553,1153 1.549,1154 1.512,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.476,1160 4.134,1161 4.144,1162 4.103,1163 4.037,1164 7.475,1165 4.05,1166 3.883,1167 3.944,1168 3.828,1169 3.683,1170 6.351,1171 3.712,1172 3.548,1173 3.558,1174 3.503,1175 3.399,1176 5.114,1177 3.415,1178 3.191,1179 3.22,1180 3.086,1181 2.966,1182 4.932,1183 2.992,1184 3.042,1185 3.113,1186 2.867,1187 2.822,1188 4.3,1189 2.821,1190 2.778,1191 2.858,1192 2.598,1193 2.623,1194 3.962,1195 2.597,1196 2.715,1197 2.745,1198 2.556,1199 2.39,1200 3.642,1201 2.442,1202 2.47,1203 2.569,1204 2.262,1205 2.274,1206 3.52,1207 2.262,1208 0.221,1209 0.171,1210 0.319,1211 0.2,1212 0.152,1213 4.638,1214 0.219,1215 3.584,1216 0.068,1217 6.704,1218 0.516,1219 4.196,1220 0.152,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 3.193,1226 1.941,1227 1.928,1228 2.019,1229 2.015,1230 1.191,1231 2.014,1232 1.68,1233 1.64,1234 1.829,1235 1.894,1236 1.004,1237 1.874,1238 1.397,1239 1.341,1240 1.625,1241 1.594,1242 0.716,1243 1.606,1244 1.286,1245 1.22,1246 1.473,1247 1.524,1248 0.445,1249 1.512,1250 1.15,1251 1.156,1252 1.252,1253 1.464,1254 0.25,1255 1.38,1256 0.865,1257 0.793,1258 1.15,1259 1.167,1260 0.175,1261 1.169,1262 0.801,1263 0.732,1264 1.083,1265 0.986,1266 0.155,1267 1.026,1268 0.507,1269 0.478,1270 0.774,1271 0.855,1273 0.843,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1284 1.934,1289 9.006,1290 0.586,1300 20.821,1301 50.503,1302 121.706,1303 142.07,1304 146.825,1305 146.825,1306 146.825,1307 26.878,1308 6.603,1309 68.26,1310 68.26,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 127.969,1320 210.87,1321 304.003,1322 5367,1324 13.405,1325 0.706,1326 0.544,1327 13.405,1328 10.329,1329 9.148,1330 0.436,1331 0.279,1332 5.758,1333 8.716,1334 5.607,1335 4.648,1336 9.148,1337 5.86,1338 8.482,1339 0.283,1340 0.147,1341 8.482,1342 4.401,1343 7.167,1344 0.179,1345 0.079,1346 7.167,1347 3.167,1348 5.782,1349 0.111,1350 0.04,1351 5.782,1352 2.101,1353 4.286,1354 0.07,1355 0.022,1356 4.286,1357 1.349,1358 0.399,1359 57.971,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 340.911,1365 114.16,1366 324.562,1367 438.83,1368 302,1369 121,1370 322.869,1371 133.22,1372 325.019,1373 473.6,1374 304,1375 7.469} {0 CHEMBL442,1 1.552,2 13.302,3 3.124,4 9.761,5 160.241,6 7.458,7 0.32,8 4.484,9 4.598,10 4.063,11 4.02,12 5.523,13 4.01,14 5.102,15 5.26,16 4.555,17 4.504,18 6.143,19 4.482,20 5.453,21 5.636,22 4.705,23 4.72,24 6.514,25 4.677,26 5.599,27 5.796,28 4.747,29 4.768,30 6.739,31 4.721,32 5.614,33 5.816,34 4.689,35 4.742,36 6.833,37 4.683,38 5.587,39 5.811,40 4.631,41 4.711,42 6.691,43 4.64,44 5.577,45 5.807,46 4.545,47 4.645,48 6.688,49 4.576,50 5.443,51 5.658,52 4.457,53 4.573,54 6.566,55 4.492,56 0.071,57 1.183,58 16.238,59 7.232,60 16.947,61 9.328,62 0.604,63 2.078,64 33.207,65 12.653,66 48.762,67 17.154,68 0.885,69 2.727,70 50.402,71 18.039,72 92.457,73 23.988,74 1.115,75 2.974,76 60.916,77 20.607,78 158.012,79 27.261,80 1.503,81 2.953,82 63.39,83 20.742,84 231.883,85 27.36,86 0.95,87 2.929,88 61.377,89 20.363,90 143.441,91 28.104,92 1.169,93 2.772,94 62.991,95 19.736,96 161.313,97 26.522,98 0.903,99 2.454,100 53.293,101 18.731,102 145.124,103 25.001,104 37,105 79,106 0.235,107 0.605,108 0.804,109 0.876,110 0.895,111 0.895,112 3.788,113 0.907,114 -3.71,115 -3.68,116 -3.5,118 42.3,119 1,120 4,121 1,123 1,124 2,126 3,130 1,131 1,133 1,134 1,140 8,141 4,149 1,150 1,154 3,168 17,171 3,172 8,175 4,177 5,180 19,185 4,186 11,189 3,191 5,194 16,197 2,198 15,201 2,202 1,203 6,206 11,209 5,210 15,213 3,215 5,218 9,221 1,222 19,225 2,227 9,229 6,233 3,234 14,239 7,242 9,246 1,247 12,250 2,251 1,252 5,255 13,258 1,259 14,264 2,267 11,270 3567,271 29.004,272 29.004,273 29.004,274 29.004,275 29.004,276 26.631,277 32.275,278 16.233,279 29.394,280 24.661,281 24.661,282 24.661,283 24.661,284 24.661,285 20.867,286 38.018,287 7.684,288 25.302,289 4.733,290 2.293,291 0.978,292 0.507,293 0.378,294 0.378,295 4.514,300 1,301 1319,302 4.301,305 237.802,306 458.773,309 557.483,310 283.399,311 166.131,312 191.998,313 1.937,314 62.62,317 0.75,318 0.5,319 0.83,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 93.5,326 572,327 4.879,328 4.459,329 8.108,330 4.791,331 3.839,332 4.634,333 2.23,334 15.813,335 3.651,336 4.718,337 3.922,338 7.335,339 4.34,340 3.352,341 3.965,342 1.989,343 12.585,344 3.313,345 4.315,346 3.742,347 7.022,348 4.191,349 3.236,350 3.54,351 1.972,352 12.05,353 3.086,354 4.165,355 3.551,356 6.462,357 3.884,358 2.908,359 3.471,360 1.465,361 9.882,362 2.842,363 3.955,364 3.48,365 6.431,366 3.75,367 2.755,368 3.366,369 0.935,370 9.738,371 2.737,372 3.807,373 3.026,374 6.309,375 3.558,376 2.589,377 3.003,378 0.916,379 9.069,380 2.518,381 3.735,382 2.941,383 5.944,384 3.471,385 2.482,386 2.905,387 0.584,388 8.211,389 2.449,390 3.547,391 2.744,392 5.636,393 3.3,394 2.332,395 2.82,396 0.274,397 7.296,398 2.237,399 3.45,400 2.552,401 5.367,402 3.255,403 2.278,404 2.557,405 0.172,406 6.896,407 2.226,408 3.305,409 2.45,410 5.114,411 2.922,412 1.949,413 2.457,414 0.137,415 5.884,416 1.889,417 2.941,418 2.209,419 5.098,420 2.622,421 1.619,422 2.063,424 4.998,425 1.605,426 2.91,427 2.069,428 4.636,429 2.483,430 1.48,431 1.991,433 4.405,434 1.483,435 2.865,436 1.975,437 4.446,438 2.441,439 1.475,440 1.859,442 3.703,443 1.421,444 2.668,445 1.643,446 4.312,447 2.33,448 1.328,449 1.726,451 3.331,452 1.322,453 2.519,454 1.522,455 3.911,456 2.18,457 1.183,458 1.5,460 2.881,461 1.176,462 20.167,463 0.469,464 1.426,465 0.033,466 49.75,467 1.157,468 20,469 0.465,470 29.75,471 0.692,472 51.375,473 1.195,474 46.433,475 0.595,476 47.305,477 1.1,478 9.432,479 0.219,480 11.244,481 0.261,482 0.116,483 0.05,484 0.382,487 0.771,488 1.345,489 0.763,490 1.073,491 0.625,492 0.936,493 0.645,494 1.123,495 0.792,496 0.965,497 0.527,498 0.904,499 1.046,500 1.058,501 0.998,502 1.035,503 0.932,504 1.008,505 1.283,506 1.071,507 1.042,508 1.035,509 1.353,510 1.002,511 1.358,512 1.008,513 1.128,514 0.99,515 1.349,516 1.019,517 1.112,518 1.084,519 1.014,520 1.042,521 1.107,522 1.01,523 1.482,524 0.873,525 1.101,526 0.89,527 1.621,528 0.92,529 1.186,530 1.053,531 1.052,532 1.079,533 1.192,534 1.059,535 10,536 0.416,537 6.889,538 5.389,539 4.712,540 2.532,541 1.609,542 1.149,543 0.71,544 0.554,545 32205,546 74438,547 2.18,548 44.9,550 19,551 1,553 3,554 1,555 8,556 3,558 1.82,559 2.016,560 3.67,561 0.71,567 121.052,568 1.552,569 3.993,570 5.308,571 5.779,572 5.907,573 5.907,574 3.11,575 5.037,576 5.401,577 3.863,578 3487.88,579 9.574,580 59272.8,585 490.261,586 1.654,587 5.343,588 0.2,589 0.007,590 0.087,591 0.061,592 0.053,593 0.031,594 0.021,595 0.016,596 0.011,597 0.01,598 0.497,599 0.33,600 0.75,601 0.523,602 242.746,603 -0.058,604 -0.141,605 0.062,606 -0.005,607 -0.063,608 0.04,609 0.214,610 0.038,611 0.104,612 0.042,613 0.065,614 0.051,615 0.03,616 0.013,617 -0.04,618 -0.048,619 -0.027,620 -0.055,621 -0.028,622 -0.063,623 -0.039,624 -0.061,625 -0.035,626 -0.052,627 0.004,628 -0.022,629 -0.102,630 -0.027,631 0.065,632 -0.077,633 -0.026,634 -0.091,635 -0.009,636 -0.077,637 0.02,638 -0.043,639 -0.166,640 0.087,641 -0.053,642 0.057,643 -0.138,644 0.03,645 -0.018,646 -0.104,647 -0.044,648 -0.086,649 0.006,650 -0.077,651 3.292,652 7.173,653 0.791,654 46.369,655 1.005,656 1.125,657 2.481,658 6.154,659 0.663,660 3.932,661 4.382,662 4.779,663 5.176,664 5.493,665 5.697,666 5.94,667 6.155,668 6.282,669 6.405,670 7.892,671 0.636,672 581.73,673 3.932,674 5.557,675 6.482,676 7.439,677 8.384,678 9.347,679 10.301,680 11.268,681 12.228,682 13.197,683 6.4,686 1,690 3,691 1,698 2,699 9,701 1,704 3,706 16,724 78,726 20,727 2,728 50,730 85,731 33,733 14,734 4,735 8,736 2,739 8,740 19,745 1,748 7,749 1,751 8,753 19,754 14,755 1,756 4,761 3,763 1,765 4,772 35,773 9,774 3,775 10,779 5,784 0.375,785 5,797 1,798 1,801 3,802 5,805 4,806 2,807 1,808 1,816 1,817 2,822 1,823 1,828 1,830 1,831 1,832 3,836 2,840 43,845 1,846 6,847 1,848 1,850 4,851 3,852 2,862 6.4,863 1,865 3,866 1,869 21.333,870 14.383,871 8.875,872 4.869,874 3.242,875 1.316,876 0.988,877 6.073,878 13.496,879 4.143,880 4.751,881 5.341,882 5.922,883 6.424,884 6.74,885 7.177,886 7.591,887 7.842,888 8.156,889 0.889,890 88,891 16.377,893 7.858,894 7.764,895 31.071,897 28.25,899 2.264,900 97.333,904 376.675,905 157.478,906 44.169,908 129.118,911 157.478,912 505.793,913 44.169,914 17.222,915 38.609,916 137.017,917 100.549,918 35.225,919 13.915,920 364.904,922 376.675,923 201.647,924 129.118,927 247.193,928 204.917,929 53.683,931 67.344,932 124.827,933 9.476,935 376.675,936 173.287,937 157.478,940 376.675,941 45.923,942 120.928,943 34.796,944 129.118,945 376.675,946 173.287,947 157.478,949 0.61,950 0.38,951 0.22,952 0.124,953 46,954 20,955 0.047,956 4,957 6,958 1.324,959 4.91,960 518.236,961 0.353,962 33,963 229.329,968 27.24,969 9.586,970 3.956,971 2.263,972 156.502,973 17.692,975 3.367,978 3.25,980 77.48,981 707.441,982 62,987 41.813,989 2.024,991 -0.081,994 78.4,995 87.767,996 0.247,997 0.635,998 0.844,999 0.919,1000 0.94,1001 0.94,1002 5.485,1003 2.332,1004 6.547,1005 8.211,1006 5.069,1007 5.44,1008 3.406,1009 7.532,1010 5.017,1011 6.719,1012 2.278,1013 8.219,1014 7.296,1015 4.977,1016 5.394,1017 2.838,1018 8.916,1019 4.884,1020 8.076,1021 1.949,1022 10.004,1023 6.896,1024 6.874,1025 7.604,1026 4.436,1027 12.096,1028 6.754,1029 9.466,1030 1.619,1031 11.859,1032 5.884,1033 7.601,1034 8.369,1035 4.538,1036 14.317,1037 7.433,1038 10.893,1039 1.48,1040 13.76,1041 4.998,1042 9.045,1043 10.118,1044 5.716,1045 17.127,1046 8.843,1047 12.345,1048 1.475,1049 15.693,1050 4.405,1051 10.109,1052 11.26,1053 6.125,1054 19.667,1055 9.856,1056 13.816,1057 1.328,1058 17.652,1059 3.703,1060 11.425,1061 12.847,1062 7.108,1063 22.4,1064 11.131,1065 3.839,1066 1.183,1067 19.63,1068 3.331,1069 12.629,1070 14.176,1071 7.677,1072 25.062,1073 12.282,1074 3.352,1075 15.813,1076 21.624,1077 2.881,1078 13.921,1079 15.707,1080 8.56,1081 27.789,1082 13.527,1083 3.236,1084 12.585,1085 23.632,1086 4.634,1087 15.184,1088 17.13,1089 9.22,1090 30.502,1091 14.737,1092 2.908,1093 12.05,1094 25.651,1095 3.965,1096 16.48,1097 18.645,1098 10.051,1099 33.237,1100 15.982,1101 2.755,1102 9.882,1103 27.679,1104 3.54,1105 17.773,1106 20.117,1107 10.762,1108 35.972,1109 17.221,1110 2.589,1111 9.738,1112 29.716,1113 3.471,1114 19.08,1115 21.631,1116 11.568,1117 38.717,1118 18.475,1119 2.482,1120 9.069,1121 31.76,1122 3.366,1123 20.389,1124 23.129,1125 12.309,1126 41.463,1127 19.73,1128 28585,1129 43633,1130 33.52,1131 51.722,1132 80.23,1133 81.573,1134 81.737,1135 78.792,1136 78.664,1137 94.888,1138 21.35,1139 256.023,1140 76.81,1141 5.879,1142 6.459,1143 7.91,1144 5.867,1145 5.839,1146 7.634,1147 3.883,1148 24.799,1149 5.651,1150 20.932,1151 1.605,1152 1.631,1153 1.635,1154 1.576,1155 1.573,1156 1.898,1157 0.427,1158 5.12,1159 1.536,1160 4.191,1161 4.221,1162 4.15,1163 4.117,1164 7.435,1165 4.121,1166 4.044,1167 4.078,1168 3.994,1169 3.9,1170 7.425,1171 3.909,1172 3.881,1173 3.914,1174 3.809,1175 3.774,1176 7.421,1177 3.784,1178 3.833,1179 3.882,1180 3.758,1181 3.691,1182 6.452,1183 3.7,1184 3.693,1185 3.741,1186 3.609,1187 3.498,1188 4.976,1189 3.518,1190 3.477,1191 3.529,1192 3.368,1193 3.352,1194 4.752,1195 3.345,1196 3.44,1197 3.49,1198 3.339,1199 3.302,1200 4.565,1201 3.306,1202 3.332,1203 3.372,1204 3.261,1205 3.138,1206 4.427,1207 3.156,1208 0.098,1209 0.089,1210 0.162,1211 0.096,1212 0.077,1213 4.879,1214 0.093,1215 4.459,1216 0.045,1217 8.108,1218 0.316,1219 4.791,1220 0.073,1221 3.839,1222 4.634,1223 2.23,1224 15.813,1225 3.651,1226 2.043,1227 2.022,1228 2.129,1229 2.122,1230 1.433,1231 2.126,1232 1.93,1233 1.901,1234 2.057,1235 2.039,1236 1.293,1237 2.041,1238 1.769,1239 1.728,1240 1.908,1241 1.933,1242 1.216,1243 1.926,1244 1.712,1245 1.675,1246 1.863,1247 1.906,1248 1.119,1249 1.888,1250 1.612,1251 1.57,1252 1.813,1253 1.836,1254 1.052,1255 1.818,1256 1.57,1257 1.509,1258 1.774,1259 1.754,1260 0.96,1261 1.783,1262 1.503,1263 1.455,1264 1.706,1265 1.7,1266 0.906,1267 1.703,1268 1.279,1269 1.212,1270 1.569,1271 1.523,1272 0.812,1273 1.535,1274 4.615,1276 6.033,1277 3.434,1278 7.652,1279 5.9,1280 9.371,1281 8.122,1282 11.147,1284 3.509,1289 12.045,1290 3.247,1291 2.871,1292 6.228,1294 -2.047,1295 5.034,1296 -3.881,1300 49.583,1301 121.052,1302 311.425,1303 413.997,1304 450.752,1305 460.752,1306 460.752,1307 102.819,1308 10.254,1309 118.21,1310 118.21,1311 45,1312 13.676,1313 4.392,1314 3.7,1315 53.767,1316 205,1317 205,1318 0.127,1319 289.922,1320 517.79,1321 699.169,1322 532843,1324 29.673,1325 0.69,1326 0.564,1327 29.673,1328 24.247,1329 20.676,1330 0.414,1331 0.302,1332 14.914,1333 19.925,1334 14.599,1335 11.887,1336 20.676,1337 15.118,1338 20.338,1339 0.257,1340 0.162,1341 20.338,1342 12.784,1343 18.595,1344 0.158,1345 0.086,1346 18.595,1347 10.132,1348 17.027,1349 0.097,1350 0.046,1351 17.027,1352 8.123,1353 14.492,1354 0.06,1355 0.025,1356 14.492,1357 6.02,1358 0.197,1359 129.507,1360 0.173,1361 37.25,1362 0.354,1363 258,1364 674.693,1365 285.851,1366 645.042,1367 896.76,1368 604,1369 326,1370 679.592,1371 356.906,1372 680.768,1373 1035.76,1374 645,1375 5.514} {0 CHEMBL443001,1 1.563,2 7.5,3 1.895,4 3.591,5 59.862,6 7.276,7 0.588,8 3.495,9 3.612,10 3.03,11 3.004,12 4.636,13 2.987,14 4.007,15 4.182,16 3.331,17 3.369,18 5.195,19 3.314,20 4.247,21 4.483,22 3.205,23 3.447,24 5.196,25 3.34,26 4.224,27 4.472,28 3.078,29 3.376,30 5.145,31 3.246,32 4.132,33 4.4,34 2.793,35 3.193,36 5.026,37 3.034,38 3.926,39 4.193,40 2.671,41 2.98,42 4.873,43 2.845,44 3.708,45 3.966,46 2.679,47 2.798,48 4.784,49 2.689,50 3.511,51 3.73,52 2.602,53 2.485,54 4.88,55 2.481,56 0.033,57 0.432,58 6.284,59 2.685,60 7.844,61 3.561,62 0.189,63 0.681,64 11.441,65 4.385,66 34.043,67 6.136,68 0.224,69 0.763,70 15.992,71 5.525,72 35.363,73 7.872,74 0.198,75 0.73,76 15.743,77 5.453,78 33.278,79 7.894,80 0.215,81 0.632,82 14.803,83 4.798,84 34.927,85 7.051,86 0.189,87 0.504,88 12.145,89 3.835,90 29.76,91 5.597,92 0.177,93 0.41,94 9.527,95 3.157,96 16.428,97 4.668,98 0.117,99 0.305,100 7.914,101 2.216,102 21.021,103 3.009,104 10,105 22,106 0.3,107 0.658,108 0.796,109 0.865,110 0.891,111 0.891,112 2.851,113 0.951,114 -2.88,115 -2.89,116 -2.79,118 40,120 4,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 4,175 1,177 1,180 4,181 1,186 4,191 1,194 3,195 1,198 5,203 1,206 3,207 1,210 3,215 1,218 3,222 1,223 1,229 2,230 1,233 1,234 2,237 1,239 1,242 1,243 1,247 1,248 1,252 1,256 1,258 1,259 1,262 1,264 1,270 282,271 10.828,272 10.828,273 10.828,274 10.828,275 10.828,276 9.464,277 6.78,278 6.69,279 10.997,280 8.415,281 8.415,282 8.415,283 8.415,284 8.415,285 6.38,286 3.363,287 3.177,288 8.698,289 3.344,290 1.479,291 0.758,292 0.4,293 0.267,294 0.267,295 3.505,299 1,300 1,301 251,302 2.915,305 32.002,306 41.194,309 61.405,313 1.188,314 14.185,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35,326 120,327 4.509,328 3.596,329 6.512,330 3.986,331 3.045,332 4.457,333 2.341,334 10.214,335 2.865,336 3.555,337 3.117,338 5.203,339 3.247,340 2.244,341 2.878,343 6.252,344 2.228,345 3.492,346 2.289,347 4.658,348 3.093,349 2.111,350 2.708,352 5.177,353 2.067,354 3.048,355 1.563,356 4.135,357 2.516,358 1.548,359 2.321,361 3.699,362 1.496,363 2.533,364 1.547,365 3.56,366 2.39,367 1.395,368 1.522,370 2.932,371 1.381,372 2.5,373 1,374 3.397,375 1.923,376 1,377 1.5,379 2.233,380 0.921,381 2.072,382 0.974,383 3.139,384 1.681,385 0.71,386 0.921,388 1.687,389 0.686,390 1.505,391 0.614,392 2.64,393 1.25,394 0.262,395 0.313,397 0.582,398 0.257,399 0.922,400 0.278,401 2.302,402 0.586,403 -0.409,404 -0.496,406 -0.962,407 -0.403,408 0.503,409 -0.152,410 1.918,411 0.09,412 -0.931,413 -1.074,415 -2,416 -0.88,417 0.5,418 -0.718,419 1.652,420 -0.039,421 -1,422 -1.399,424 -2.165,425 -0.947,426 0.202,427 -1,428 1.497,429 -0.054,430 -1,431 -1.5,433 -2.432,434 -1.008,435 -0.102,436 -1.241,437 1.066,438 -0.55,439 -1.527,440 -1.829,442 -3.968,443 -1.469,444 -0.341,445 -1.605,446 1,447 -0.682,448 -1.626,449 -2.062,451 -4.452,452 -1.562,453 -0.5,454 -1.738,455 0.564,456 -0.883,457 -1.848,458 -2.421,460 -4.773,461 -1.757,462 7.467,463 0.467,464 0.315,465 0.02,466 19.75,467 1.234,468 9.5,469 0.594,470 10.25,471 0.641,472 10.625,473 0.664,474 17.733,475 0.591,476 11.292,477 0.706,478 3.846,479 0.24,480 3.925,481 0.245,482 0.089,484 0.254,487 0.802,488 1.425,489 0.815,490 1.148,491 0.687,492 1.011,493 0.497,494 1.219,495 0.892,496 1.14,497 0.368,498 1.089,499 0.933,500 0.945,501 1.022,502 0.939,503 0.874,504 0.986,505 0.82,506 1.034,507 1.031,508 1.043,509 0.778,510 1.071,511 0.925,512 0.944,513 1.123,514 1.025,515 0.892,516 1.092,517 1.033,518 0.875,519 1.036,520 0.91,521 1.016,522 0.962,523 0.517,524 0.917,525 0.792,526 0.997,527 0.675,528 0.954,529 1.707,530 1.007,531 0.945,532 1.016,533 1.743,534 0.861,535 2.5,537 1.556,538 0.688,539 0.453,540 0.17,541 0.157,542 0.147,543 0.121,544 0.081,545 2042,546 6465,547 2.03,548 46.7,549 4,550 3,552 2,553 1,554 4,558 1.545,559 1.92,560 2.907,561 -0.229,563 1,564 1,565 1,567 46.884,568 1.563,569 3.428,570 4.148,571 4.507,572 4.64,573 4.64,574 2.227,575 3.875,576 3.97,577 3.067,578 367.99,579 6.656,580 3281.27,582 1,584 1,585 147.207,586 1.299,587 3.94,588 0.147,590 0.071,591 0.036,592 0.028,593 0.015,594 0.016,595 0.015,596 0.013,597 0.013,598 0.355,599 0.67,600 1,601 1.875,602 65.607,603 -0.072,604 -0.221,605 0.024,606 -0.047,607 -0.045,608 -0.008,609 0.209,610 -0.086,611 -0.014,612 -0.11,613 0.231,614 -0.105,615 -0.129,616 0.038,617 -0.084,618 0.048,619 -0.096,621 -0.081,622 -0.079,623 -0.093,624 -0.061,625 -0.075,626 -0.078,627 -0.118,628 -0.023,629 -0.16,630 -0.077,631 -0.12,632 -0.116,633 -0.122,634 0.027,635 -0.051,636 0.032,637 -0.113,638 0.01,639 0.312,640 0.009,641 0.181,642 -0.043,643 0.118,644 0.028,645 -0.143,646 -0.116,647 0.124,648 -0.12,649 -0.029,650 0.038,651 2.388,652 3.366,653 0.563,654 10.203,655 1.005,656 1.13,657 1.649,658 2.72,659 0.65,660 2.89,661 3.135,662 3.332,663 3.555,664 3.611,665 3.584,666 3.611,667 3.611,668 3.296,669 3.135,670 4.76,671 0.621,672 218.28,673 2.89,674 4.369,675 5.176,676 6.019,677 6.851,678 7.704,679 8.55,680 9.408,681 10.262,682 11.125,683 6.7,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 30,726 11,728 17,730 31,731 12,733 7,739 2,740 3,751 4,753 8,754 4,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 16,845 1,846 4,862 6.7,864 1,865 1,869 8.333,870 5.183,871 3.639,872 1.864,874 2.149,875 1.366,876 0.93,877 3.446,878 8.019,879 3.178,880 3.744,881 4.306,882 4.909,883 5.3,884 5.546,885 5.843,886 6.132,887 5.568,888 5.568,889 0.8,890 19,891 5.882,893 2.413,894 7.938,895 11.196,897 8.929,899 2.438,900 39,901 0.002,904 153.024,905 62.044,906 18.072,908 67.828,911 62.044,912 220.853,913 18.072,915 10.138,916 28.429,917 117.684,918 10.334,919 4.901,920 129.482,922 153.024,923 80.116,924 67.828,927 153.024,928 67.828,931 29.091,932 34.24,933 16.786,935 153.024,936 85.9,937 62.044,940 153.024,941 15.949,942 47.381,944 84.614,945 153.024,946 85.9,947 62.044,949 0.559,950 0.305,951 0.164,952 0.078,953 10,954 4,955 0.161,956 5,957 1,958 1.222,959 2.937,960 99.775,961 0.222,962 9,963 64,968 10.993,969 5.015,970 2.76,971 1.079,972 84.614,973 9.676,974 4.087,978 1.181,980 42.683,981 300.968,982 23,987 10.366,991 -0.721,994 30.16,995 33.907,996 0.318,997 0.699,998 0.845,999 0.918,1000 0.946,1001 0.946,1002 4.35,1003 0.262,1004 5.118,1005 1.687,1006 3.807,1007 4.425,1008 2.258,1009 5.855,1010 3.738,1011 5.532,1012 -0.409,1013 6.624,1014 0.582,1015 3.219,1016 4.205,1017 2.243,1018 6.676,1019 3.088,1020 6.819,1021 -0.931,1022 8.24,1023 -0.962,1024 5.303,1025 6.657,1026 3.628,1027 9.771,1028 5.146,1029 8.15,1030 -1,1031 9.928,1032 -2,1033 5.602,1034 7.38,1035 4.112,1036 11.53,1037 5.348,1038 9.521,1039 -1,1040 11.665,1041 -2.165,1042 7.117,1043 9.266,1044 5.201,1045 14.122,1046 6.841,1047 10.921,1048 -1.527,1049 13.437,1050 -2.432,1051 7.849,1052 10.422,1053 5.889,1054 16.232,1055 7.467,1056 12.344,1057 -1.626,1058 15.235,1059 -3.968,1060 9.124,1061 12.081,1062 6.849,1063 18.658,1064 8.711,1065 3.045,1066 -1.848,1067 17.051,1068 -4.452,1069 10.065,1070 13.432,1071 7.625,1072 20.899,1073 9.553,1074 2.244,1075 10.214,1076 18.882,1077 -4.773,1078 11.241,1079 14.997,1080 8.526,1081 23.264,1082 10.685,1083 2.111,1084 6.252,1085 20.723,1086 4.457,1087 12.277,1088 16.43,1089 9.342,1090 25.554,1091 11.635,1092 1.548,1093 5.177,1094 22.571,1095 2.878,1096 13.414,1097 17.955,1098 10.216,1099 27.896,1100 12.719,1101 1.395,1102 3.699,1103 24.425,1104 2.708,1105 14.492,1106 19.423,1107 11.051,1108 30.205,1109 13.721,1110 1,1111 2.932,1112 26.284,1113 2.321,1114 15.614,1115 20.931,1116 11.912,1117 32.537,1118 14.785,1119 0.71,1120 2.233,1121 28.146,1122 1.522,1123 16.712,1124 22.414,1125 12.755,1126 34.854,1127 15.813,1128 2105,1129 3798,1130 11.326,1131 19.489,1132 24.781,1133 25.063,1134 25.075,1135 24.64,1136 24.63,1137 33.239,1138 4.682,1139 65.553,1140 23.802,1141 5.397,1142 5.596,1143 6.204,1144 5.033,1145 5.045,1146 7.457,1147 3.925,1148 16.99,1149 4.833,1150 6.927,1151 1.458,1152 1.474,1153 1.475,1154 1.449,1155 1.449,1156 1.955,1157 0.275,1158 3.856,1159 1.4,1160 4.119,1161 4.169,1162 4.08,1163 3.976,1164 7.474,1165 3.995,1166 3.711,1167 3.759,1168 3.587,1169 3.561,1170 6.351,1171 3.555,1172 3.41,1173 3.452,1174 3.313,1175 3.236,1176 5.051,1177 3.246,1178 3.276,1179 3.327,1180 3.156,1181 3.098,1182 4.375,1183 3.105,1184 2.961,1185 3.009,1186 2.827,1187 2.751,1188 4.039,1189 2.765,1190 2.646,1191 2.728,1192 2.418,1193 2.384,1194 3.712,1195 2.387,1196 2.316,1197 2.433,1198 2.164,1199 2.022,1200 3.311,1201 2.026,1202 2.278,1203 2.396,1204 1.979,1205 2.005,1206 3.245,1207 1.997,1208 0.265,1209 0.212,1210 0.383,1211 0.234,1212 0.179,1213 4.509,1214 0.262,1215 3.596,1216 0.138,1217 6.512,1218 0.601,1219 3.986,1220 0.169,1221 3.045,1222 4.457,1223 2.341,1224 10.214,1225 2.865,1226 1.95,1227 1.911,1228 2.066,1229 2.089,1230 1.342,1231 2.082,1232 1.676,1233 1.626,1234 1.894,1235 1.855,1236 1.105,1237 1.868,1238 1.374,1239 1.324,1240 1.57,1241 1.59,1242 0.771,1243 1.579,1244 1.209,1245 1.151,1246 1.423,1247 1.492,1248 0.413,1249 1.472,1250 1.012,1251 0.952,1252 1.222,1253 1.199,1254 0.3,1255 1.214,1256 0.793,1257 0.737,1258 1.104,1259 1.12,1260 0.212,1261 1.117,1262 0.473,1263 0.39,1264 0.851,1265 0.802,1267 0.833,1268 0.228,1269 0.095,1270 0.747,1271 0.621,1273 0.679,1274 3.555,1276 4.812,1277 2.398,1278 6.256,1279 4.595,1280 7.801,1281 6.605,1282 9.407,1289 8.534,1290 2.755,1300 18.633,1301 46.884,1302 102.842,1303 124.452,1304 135.207,1305 139.207,1306 139.207,1307 22.698,1308 5.869,1309 54.6,1310 54.6,1311 11,1312 11.676,1313 3.585,1314 2.807,1315 26.185,1316 44,1317 44,1318 0.292,1319 118.036,1320 196.02,1321 279.767,1322 2216,1324 11.38,1325 0.711,1326 0.56,1327 11.38,1328 8.965,1329 7.771,1330 0.457,1331 0.317,1332 5.319,1333 7.458,1334 5.23,1335 4.346,1336 7.771,1337 5.389,1338 6.724,1339 0.306,1340 0.173,1341 6.724,1342 3.806,1343 5.08,1344 0.188,1345 0.097,1346 5.08,1347 2.606,1348 4.218,1349 0.124,1350 0.053,1351 4.218,1352 1.793,1353 2.986,1354 0.083,1355 0.031,1356 2.986,1357 1.111,1358 0.455,1359 48.817,1360 0.297,1361 16.476,1362 0.795,1363 78,1364 247.175,1365 86.619,1366 237.392,1367 314.38,1368 220,1369 88,1370 223.653,1371 95.515,1372 224.802,1373 321.71,1374 211,1375 7.387} {0 CHEMBL44365,1 1.52,2 7.75,3 2.506,4 6.278,5 76.772,6 7.833,7 0.727,8 3.636,9 3.738,10 3.247,11 3.225,12 4.834,13 3.212,14 4.116,15 4.267,16 3.595,17 3.617,18 5.359,19 3.584,20 4.3,21 4.459,22 3.614,23 3.767,24 5.382,25 3.694,26 4.453,27 4.643,28 3.605,29 3.775,30 5.569,31 3.688,32 4.486,33 4.716,34 3.486,35 3.672,36 5.584,37 3.574,38 4.312,39 4.547,40 3.213,41 3.453,42 5.378,43 3.334,44 4.114,45 4.383,46 2.85,47 3.123,48 5.126,49 2.998,50 3.657,51 3.908,52 2.639,53 2.734,54 4.792,55 2.65,56 0.031,57 0.468,58 6.137,59 3.001,60 7.938,61 3.632,62 0.214,63 0.763,64 11.24,65 4.794,66 31.923,67 6.11,68 0.075,69 0.869,70 13.563,71 6.502,72 17.177,73 8.289,74 0.13,75 0.988,76 17.285,77 7.436,78 27.621,79 9.602,80 0.218,81 0.991,82 19.908,83 7.608,84 39.268,85 10.043,86 0.18,87 0.833,88 16.815,89 6.387,90 35.365,91 8.514,92 0.25,93 0.675,94 15.131,95 4.896,96 44.395,97 6.572,98 0.249,99 0.422,100 9.439,101 2.996,102 27.396,103 4.02,104 11,105 31,106 0.277,107 0.652,108 0.817,109 0.879,110 0.89,111 0.89,112 3.059,113 0.868,114 -3.95,115 -3.9,116 -3.7,118 47.1,119 1,124 1,140 5,141 5,143 1,149 1,154 1,156 1,163 1,167 1,168 12,169 1,171 1,172 2,175 1,177 1,180 16,181 2,186 4,191 2,194 15,195 3,198 7,203 3,206 9,207 3,210 7,215 3,218 3,219 2,222 7,227 2,234 3,235 1,246 1,247 2,250 1,259 1,260 1,270 424,271 13.483,272 13.483,273 13.483,274 13.483,275 13.483,276 11.385,277 11.517,278 7.908,279 13.665,280 10.84,281 10.84,282 10.84,283 10.84,284 10.84,285 7.75,286 15.256,287 3.711,288 11.122,289 3.568,290 1.506,291 0.599,292 0.257,293 0.199,294 0.199,295 3.735,298 1,299 1,300 1,301 333,302 2.646,305 49.18,306 92.655,310 79.444,313 1.475,314 17.108,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 43,326 155,327 4.651,328 3.616,329 6.816,330 4.212,331 3.212,332 4.602,333 1.437,334 11.199,335 3.208,336 4.101,337 3.226,338 6.187,339 3.739,340 2.754,341 3.626,342 0.522,343 8.965,344 2.717,345 3.879,346 2.745,347 5.525,348 3.414,349 2.476,350 3.42,352 7.232,353 2.315,354 3.453,355 2.38,356 5.192,357 3.015,358 2.025,359 2.789,361 6.065,362 1.99,363 3.147,364 1.904,365 4.605,366 2.672,367 1.671,368 2.413,370 4.437,371 1.667,372 2.876,373 1.521,374 3.779,375 2.392,376 1.397,377 2.01,379 3.121,380 1.386,381 2.591,382 1.292,383 3.647,384 2.096,385 1.165,386 1.627,388 2.594,389 1.082,390 2.39,391 1.164,392 3.428,393 1.909,394 0.905,395 1.291,397 2.192,398 0.901,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.593,409 0.597,410 2.966,411 1.293,412 0.309,413 0.38,415 0.76,416 0.303,417 1.121,418 0.434,419 2.486,420 0.69,421 -0.302,422 -0.405,424 -0.808,425 -0.297,426 0.795,427 -0.148,428 2.411,429 0.342,430 -0.658,431 -0.905,433 -1.628,434 -0.649,435 0.625,436 -0.553,437 2.286,438 0.238,439 -0.728,440 -0.946,442 -1.909,443 -0.7,444 0.413,445 -0.615,446 1.797,447 -0.014,448 -1,449 -1.392,451 -2,452 -0.975,453 0.051,454 -1.212,455 1.542,456 -0.358,457 -1.352,458 -1.83,460 -3.413,461 -1.337,462 9.467,463 0.473,464 0.507,465 0.025,466 28.25,467 1.413,468 15.5,469 0.775,470 12.75,471 0.638,472 12.89,473 0.645,474 20.533,475 0.604,476 18.975,477 0.949,478 5.813,479 0.291,480 3.852,481 0.193,482 0.123,484 0.359,487 0.785,488 1.193,489 0.743,490 0.962,491 0.713,492 0.867,493 0.571,494 0.788,495 0.793,496 0.773,497 0.387,498 0.794,499 0.628,500 1.072,501 0.966,502 1.144,503 0.631,504 1.119,505 0.826,506 1.148,507 1.047,508 1.208,509 0.804,510 1.174,511 0.992,512 0.994,513 0.993,514 1.027,515 0.966,516 1.014,517 0.975,518 1.15,519 1.086,520 1.15,521 0.995,522 1.144,523 1.334,524 0.884,525 1.124,526 0.841,527 1.332,528 0.924,529 1.187,530 0.68,531 0.963,532 0.642,533 1.431,534 0.75,535 3.5,536 0.04,537 2.444,538 1.66,539 1.253,540 0.729,541 0.358,542 0.122,543 0.115,544 0.062,545 3593,546 10696,547 2.077,548 41.2,549 3,550 7,551 1,552 2,553 1,558 1.62,559 1.935,560 2.97,561 -0.32,563 1,565 1,567 51.671,568 1.52,569 3.581,570 4.489,571 4.83,572 4.889,573 4.889,574 2.546,575 3.722,576 4.292,577 3.12,578 592.73,579 7.344,580 5889.51,581 1,582 1,584 1,585 172.974,586 1.441,587 4.248,588 0.159,589 0.01,590 0.079,591 0.054,592 0.043,593 0.029,594 0.02,595 0.01,596 0.011,597 0.008,598 0.423,599 0.83,600 1,601 0.843,602 87.277,603 -0.069,604 -0.125,605 0.027,606 0.004,607 -0.09,608 0.022,609 0.159,610 0.301,611 0.045,612 0.179,613 0.213,614 0.116,615 -0.032,616 -0.095,617 -0.13,618 -0.142,619 -0.014,620 -0.15,621 -0.043,622 -0.193,623 -0.132,624 -0.221,625 -0.009,626 -0.196,627 -0.057,628 -0.064,629 0.012,630 -0.043,631 -0.018,632 -0.009,633 -0.06,634 -0.226,635 -0.074,636 -0.171,637 -0.066,638 -0.136,639 -0.187,640 0.06,641 -0.024,642 0.114,643 -0.199,644 0.081,645 0.131,646 0.285,647 0.143,648 0.306,649 -0.125,650 0.231,651 2.558,652 4.255,653 0.75,654 14.12,655 1.005,656 1.115,657 2.718,658 7.388,659 0.691,660 3.135,661 3.466,662 3.761,663 4.025,664 4.19,665 4.248,666 4.382,667 4.443,668 4.443,669 4.317,670 4.833,671 0.666,672 266.32,673 3.135,674 4.673,675 5.533,676 6.418,677 7.298,678 8.188,679 9.074,680 9.967,681 10.857,682 11.752,683 5.9,691 1,693 1,698 2,699 8,700 1,704 3,705 1,706 16,714 1,724 34,726 17,727 2,728 22,730 36,731 16,733 13,734 5,735 5,736 1,739 3,740 4,745 1,753 14,754 2,756 1,761 1,765 1,768 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 0.667,785 2,801 1,802 2,806 1,830 1,832 2,836 1,840 20,845 1,846 1,862 5.9,864 1,865 1,869 10.333,870 6.433,871 4.389,872 1.924,874 3.179,875 1.474,876 0.982,877 3.187,878 9.881,879 3.466,880 4.123,881 4.768,882 5.4,883 5.904,884 6.257,885 6.717,886 7.105,887 7.459,888 7.562,889 1,890 31,891 7.359,893 3.138,894 7.875,895 13.899,897 11.374,899 2.375,900 47.5,904 153.024,905 100.638,906 18.685,908 67.828,911 100.638,912 220.853,913 18.685,914 8.825,915 2.106,916 56.429,917 117.684,918 25.649,919 11.771,920 117.711,922 153.024,923 119.323,924 67.828,927 153.024,928 67.828,931 30.496,932 72.041,933 16.786,935 153.024,936 86.513,937 100.638,940 153.024,941 17.718,942 84.819,944 84.614,945 153.024,946 86.513,947 100.638,949 0.584,950 0.35,951 0.192,952 0.095,953 16,954 7,955 0.083,956 3,957 1,958 1.133,959 3.199,960 153.662,961 0.133,962 15,963 86.439,968 12.733,969 5.006,970 2.304,971 1.773,972 84.614,973 14.712,974 4.033,978 2.622,979 1.995,980 42.683,981 340.175,982 31,987 11.255,991 -0.891,994 34.16,995 37.907,996 0.299,997 0.704,998 0.882,999 0.949,1000 0.961,1001 0.961,1002 4.682,1003 0.905,1004 5.525,1005 2.594,1006 4.143,1007 4.808,1008 1.736,1009 6.361,1010 4.101,1011 5.916,1012 0.618,1013 7.102,1014 2.192,1015 3.761,1016 4.677,1018 7.334,1019 3.717,1020 7.24,1021 0.309,1022 8.785,1023 1.372,1024 5.753,1025 7.104,1026 2.269,1027 10.461,1028 5.686,1029 8.606,1030 -0.302,1031 10.53,1032 0.76,1033 6.217,1034 7.848,1036 12.271,1037 6.155,1038 10.004,1039 -0.658,1040 12.314,1041 -0.808,1042 7.671,1043 9.716,1044 2.925,1045 14.923,1046 7.597,1047 11.427,1048 -0.728,1049 14.126,1050 -1.628,1051 8.511,1052 10.87,1054 17.07,1055 8.446,1056 12.87,1057 -1,1058 15.957,1059 -1.909,1060 9.765,1061 12.52,1062 3.619,1063 19.565,1064 9.695,1065 3.212,1066 -1.352,1067 17.803,1068 -2,1069 10.775,1070 13.871,1072 21.856,1073 10.713,1074 2.754,1075 11.199,1076 19.659,1077 -3.413,1078 11.956,1079 15.437,1080 4.33,1081 24.296,1082 11.894,1083 2.476,1084 8.965,1085 21.525,1086 4.602,1087 13.043,1088 16.879,1090 26.652,1091 12.987,1092 2.025,1093 7.232,1094 23.398,1095 3.626,1096 14.201,1097 18.415,1098 5.047,1099 29.072,1100 14.146,1101 1.671,1102 6.065,1103 25.277,1104 3.42,1105 15.324,1106 19.9,1108 31.458,1109 15.274,1110 1.397,1111 4.437,1112 27.161,1113 2.789,1114 16.476,1115 21.426,1116 5.769,1117 33.872,1118 16.428,1119 1.165,1120 3.121,1121 29.05,1122 2.413,1123 17.616,1124 22.932,1126 36.272,1127 17.572,1128 3528,1129 6168,1130 14.622,1131 23.489,1132 33.417,1133 33.974,1134 33.925,1135 33.047,1136 33.064,1137 46.171,1138 3.916,1139 95.875,1140 32.293,1141 5.427,1142 5.616,1143 6.431,1144 5.248,1145 5.212,1146 7.602,1147 2.873,1148 18.691,1149 5.208,1150 9.126,1151 1.519,1152 1.544,1153 1.542,1154 1.502,1155 1.503,1156 2.099,1157 0.178,1158 4.358,1159 1.468,1160 4.124,1161 4.145,1162 4.085,1163 4.081,1164 7.475,1165 4.079,1166 3.891,1167 3.952,1168 3.836,1169 3.696,1170 6.351,1171 3.723,1172 3.552,1173 3.581,1174 3.488,1175 3.448,1176 4.967,1177 3.45,1178 3.288,1179 3.314,1180 3.209,1181 3.139,1182 4.832,1183 3.142,1184 3.133,1185 3.184,1186 2.966,1187 2.887,1188 4.304,1189 2.906,1190 2.972,1191 3.051,1192 2.804,1193 2.811,1194 3.937,1195 2.8,1196 2.647,1197 2.713,1198 2.458,1199 2.469,1200 3.693,1201 2.458,1202 2.501,1203 2.585,1204 2.343,1205 2.315,1206 3.453,1207 2.311,1208 0.211,1209 0.164,1210 0.31,1211 0.191,1212 0.146,1213 4.651,1214 0.209,1215 3.616,1216 0.065,1217 6.816,1218 0.509,1219 4.212,1220 0.146,1221 3.212,1222 4.602,1223 1.437,1224 11.199,1225 3.208,1226 2.097,1227 2.083,1228 2.169,1229 2.151,1230 1.365,1231 2.157,1232 1.653,1233 1.61,1234 1.801,1235 1.833,1236 0.979,1237 1.823,1238 1.413,1239 1.359,1240 1.623,1241 1.602,1242 0.714,1243 1.607,1244 1.285,1245 1.22,1246 1.516,1247 1.524,1248 0.563,1249 1.512,1250 1.252,1251 1.202,1252 1.452,1253 1.428,1254 0.421,1255 1.449,1256 1.05,1257 1.014,1258 1.236,1259 1.365,1260 0.244,1261 1.329,1262 0.801,1263 0.736,1264 1.102,1265 1.019,1266 0.168,1267 1.057,1268 0.635,1269 0.573,1270 0.925,1271 0.868,1273 0.897,1274 3.807,1276 5.13,1277 2.398,1278 6.655,1279 4.443,1280 8.282,1281 6.26,1282 9.966,1284 2.028,1289 9.238,1290 0.735,1300 22.633,1301 51.671,1302 121.754,1303 152.609,1304 164.219,1305 166.219,1306 166.219,1307 28.574,1308 6.702,1309 55.12,1310 55.12,1311 17,1312 12.279,1313 4.17,1314 3.322,1315 29.893,1316 59,1317 50,1318 0.265,1319 140.23,1320 234.04,1321 333.92,1322 6215,1324 14.113,1325 0.706,1326 0.554,1327 14.113,1328 11.076,1329 9.665,1330 0.439,1331 0.289,1332 6.294,1333 9.35,1334 6.105,1335 5.084,1336 9.665,1337 6.368,1338 8.749,1339 0.282,1340 0.155,1341 8.749,1342 4.791,1343 7.432,1344 0.177,1345 0.085,1346 7.432,1347 3.586,1348 6.269,1349 0.114,1350 0.045,1351 6.269,1352 2.488,1353 4.686,1354 0.072,1355 0.025,1356 4.686,1357 1.622,1358 0.401,1359 60.255,1360 0.262,1361 19.63,1362 0.77,1363 106,1364 311.175,1365 113.953,1366 305.356,1367 414.39,1368 284,1369 126,1370 301.596,1371 133.513,1372 310.072,1373 450.29,1374 290,1375 7.602} {0 CHEMBL44422,1 1.423,2 21.519,3 7.33,4 53.727,5 197.148,6 7.298,7 0.429,8 4.653,9 4.748,10 4.182,11 4.185,12 5.784,13 4.166,14 5.187,15 5.327,16 4.502,17 4.555,18 6.348,19 4.509,20 5.477,21 5.671,22 4.575,23 4.704,24 6.482,25 4.631,26 5.54,27 5.735,28 4.593,29 4.737,30 6.564,31 4.658,32 5.575,33 5.775,34 4.63,35 4.812,36 6.542,37 4.722,38 5.688,39 5.907,40 4.628,41 4.848,42 6.651,43 4.745,44 5.66,45 5.888,46 4.594,47 4.815,48 6.595,49 4.709,50 5.583,51 5.794,52 4.615,53 4.781,54 6.581,55 4.69,56 0.098,57 1.226,58 20.212,59 9.871,60 24.827,61 11.931,62 0.61,63 1.983,64 37.666,65 16.079,66 91.859,67 20.094,68 0.758,69 2.529,70 54.129,71 21.056,72 108.242,73 27.127,74 1.093,75 2.655,76 58.537,77 22.109,78 125.19,79 28.453,80 0.631,81 2.837,82 59.083,83 23.668,84 103.283,85 30.936,86 1.013,87 3.104,88 68.659,89 25.679,90 138.525,91 33.984,92 1.099,93 3.005,94 67.44,95 25.077,96 125.41,97 33.503,98 0.814,99 2.812,100 60.757,101 23.596,102 105.256,103 31.123,104 50,105 73,106 0.207,107 0.526,108 0.723,109 0.857,110 0.904,111 0.919,112 3.972,113 0.942,114 -5.2,115 -5.1,116 -4.77,118 43.3,120 7,121 1,124 3,126 1,127 1,133 3,134 1,140 14,141 4,142 3,143 2,154 2,163 2,167 2,168 26,169 2,171 1,172 13,175 2,177 4,180 28,181 2,185 1,186 13,191 4,194 25,195 2,197 2,198 15,201 1,203 4,206 23,207 2,210 16,215 3,218 23,219 2,222 17,225 1,227 4,229 24,230 2,233 2,234 12,239 4,242 26,243 2,246 1,247 9,248 2,250 1,252 5,255 26,256 4,258 2,259 15,260 1,262 2,264 6,267 20,268 4,270 7610,271 35.553,272 35.553,273 35.553,274 35.553,275 35.553,276 31.74,277 30.751,278 21.998,279 36.023,280 27.728,281 27.728,282 27.728,283 27.728,284 27.728,285 22.182,286 29.808,287 10.528,288 28.508,289 5.177,290 2.984,291 1.632,292 0.709,293 0.392,294 0.289,295 4.675,300 1,301 2372,302 5.292,306 993.591,313 3.133,314 61.295,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.5,324 0.62,325 113.5,326 1119,327 4.38,328 3.636,329 6.695,330 4.129,331 3.158,332 3.968,333 2.341,334 10.844,335 3.06,336 4.36,337 3.597,338 6.5,339 4.013,340 3.016,341 3.882,342 2.341,343 10.18,344 3.008,345 4.252,346 3.596,347 6.469,348 3.919,349 2.941,350 3.834,351 1.902,352 10.058,353 2.876,354 3.909,355 3.28,356 5.684,357 3.477,358 2.522,359 3.471,360 0.869,361 7.478,362 2.411,363 3.678,364 3.051,365 5.414,366 3.444,367 2.474,368 2.922,369 0.86,370 7.106,371 2.396,372 3.556,373 2.859,374 5.197,375 3.24,376 2.235,377 2.81,378 0.86,379 6.208,380 2.222,381 3.552,382 2.779,383 5.133,384 3.239,385 2.234,386 2.717,387 0.22,388 6.123,389 2.22,390 3.535,391 2.524,392 4.659,393 3.099,394 2.135,395 2.71,397 5.184,398 2.048,399 3.251,400 2.213,401 4.659,402 3.041,403 2.075,404 2.366,406 5.184,407 1.998,408 3.092,409 2.16,410 4.548,411 2.697,412 1.715,413 2.234,415 4.451,416 1.683,417 3.06,418 1.999,419 4.159,420 2.675,421 1.697,422 2.186,424 3.874,425 1.654,426 2.945,427 1.95,428 4.089,429 2.553,430 1.599,431 2.112,433 3.599,434 1.512,435 2.869,436 1.872,437 3.812,438 2.469,439 1.487,440 2.018,442 3.19,443 1.454,444 2.804,445 1.59,446 3.645,447 2.444,448 1.472,449 1.866,451 3.126,452 1.426,453 2.756,454 1.536,455 3.635,456 2.391,457 1.414,458 1.796,460 3.032,461 1.374,462 24.4,463 0.469,464 0.959,465 0.018,466 62.75,467 1.207,468 31,469 0.596,470 31.75,471 0.611,472 54.458,473 1.047,474 57.2,475 0.59,476 59.579,477 1.146,478 12.676,479 0.244,480 12.709,481 0.244,482 0.068,484 0.266,487 0.847,488 1.153,489 0.825,490 1.102,491 0.787,492 0.983,493 0.87,494 1.144,495 0.984,496 1.136,497 0.536,498 1.09,499 1.03,500 1.017,501 0.981,502 1.014,503 0.899,504 0.993,505 1.072,506 0.983,507 1.04,508 0.989,509 0.84,510 1.006,511 0.91,512 1.108,513 1.005,514 1.103,515 0.713,516 1.079,517 0.998,518 1.007,519 1.041,520 1.009,521 0.753,522 1.028,523 0.922,524 0.921,525 0.977,526 0.932,527 0.669,528 0.959,529 0.88,530 1.02,531 0.95,532 1.035,533 0.694,534 1.012,535 7.5,536 0.313,537 4.889,538 2.75,539 1.871,540 1.326,541 1.109,542 0.75,543 0.604,544 0.446,545 60762,546 171650,547 2.071,548 46.4,549 10,550 24,551 1,552 2,553 3,554 4,556 1,558 1.859,559 1.975,560 4.311,561 0.599,567 138.051,568 1.423,569 3.616,570 4.968,571 5.891,572 6.208,573 6.311,574 3.756,575 5.224,576 5.668,577 4.551,578 6034.77,579 10.087,580 139347,585 640.192,586 1.226,587 5.648,588 0.134,589 0.005,590 0.067,591 0.036,592 0.024,593 0.016,594 0.014,595 0.01,596 0.008,597 0.006,598 0.319,599 0.17,600 0.5,601 1.519,602 325.183,603 -0.058,604 -0.02,605 0.027,606 0.005,607 -0.077,608 0.028,609 0.072,610 -0.07,611 -0.066,612 -0.085,613 0.139,614 -0.099,615 -0.055,616 -0.012,617 -0.011,618 -0.004,619 -0.073,621 -0.017,622 0.012,623 -0.053,624 0.011,625 -0.045,626 -0.022,627 -0.065,628 -0.095,629 -0.056,630 -0.084,631 -0.052,632 -0.072,633 -0.069,634 -0.014,635 -0.06,636 -0.017,637 -0.048,638 -0.033,639 -0.018,640 0.062,641 0.008,642 0.057,643 -0.026,644 0.041,645 0.002,646 -0.023,647 0.017,648 -0.029,649 -0.004,650 -0.007,651 2.505,652 4.698,653 0.577,654 95.848,655 1.005,656 1.119,657 3.974,658 15.792,659 0.658,660 4.043,661 4.304,662 4.533,663 4.771,664 5.004,665 5.056,666 5.226,667 5.361,668 5.442,669 5.497,670 12.236,671 0.629,672 707.88,673 4.043,674 5.557,675 6.378,676 7.228,677 8.072,678 8.933,679 9.791,680 10.658,681 11.524,682 12.397,683 1,693 1,699 16,700 1,704 7,706 24,721 1,722 2,724 97,726 28,727 3,728 56,730 101,731 42,733 23,734 6,735 12,736 2,739 5,740 5,748 1,749 1,751 8,753 29,754 13,755 1,756 4,761 2,763 3,765 3,772 45,773 10,774 3,775 10,779 1,784 1,785 9,795 1,802 5,818 2,822 3,823 1,830 2,831 2,832 5,840 52,845 3,846 10,848 4,850 3,862 9.3,864 3,865 2,866 2,867 2,869 26.333,870 16.633,871 11.778,872 5.867,874 4.301,875 1.477,876 0.926,877 15.163,878 13.321,879 4.29,880 4.787,881 5.26,882 5.753,883 6.247,884 6.328,885 6.678,886 6.967,887 7.226,888 7.488,889 1,890 77,891 19.319,893 8.133,894 7.859,895 36.64,897 29.638,899 2.359,900 122.667,904 494.386,905 239.304,906 16.786,908 222.339,911 239.304,912 716.726,913 16.786,915 31.519,916 161.456,917 242.487,918 66.509,919 11.771,920 459.073,922 494.386,923 256.089,924 222.339,927 482.615,928 212.111,929 22,930 0.36,931 49.614,932 160.902,933 45.214,935 494.386,936 239.125,937 239.304,940 494.746,941 59.753,942 179.191,944 239.125,945 494.386,946 239.125,947 239.304,949 0.561,950 0.312,951 0.17,952 0.094,953 28,954 13,955 0.188,956 19,958 1,959 6.026,960 532.588,962 30,963 290.423,968 38.604,969 20.424,970 11.968,972 239.125,973 29.92,974 4.272,978 4.815,980 128.05,981 972.815,982 72,987 21.753,989 5.934,991 -0.584,994 97.487,995 108.517,996 0.216,997 0.548,998 0.753,999 0.893,1000 0.941,1001 0.956,1002 5.501,1003 2.135,1004 6.319,1005 6.123,1006 4.99,1007 5.476,1008 3.368,1009 7.069,1010 4.937,1011 6.657,1012 2.075,1013 7.833,1014 5.184,1015 4.369,1016 5.007,1017 3.038,1018 7.895,1019 4.3,1020 7.921,1021 1.715,1022 9.456,1023 5.184,1024 6.509,1025 7.515,1026 4.567,1027 11.012,1028 6.413,1029 9.219,1030 1.697,1031 11.149,1032 4.451,1033 6.77,1034 7.894,1035 4.929,1036 12.76,1037 6.657,1038 10.552,1039 1.599,1040 12.891,1041 3.874,1042 8.322,1043 9.851,1044 6.048,1045 15.378,1046 8.187,1047 11.909,1048 1.487,1049 14.667,1050 3.599,1051 9.019,1052 10.656,1053 6.678,1054 17.486,1055 8.865,1056 13.288,1057 1.472,1058 16.468,1059 3.19,1060 10.317,1061 12.351,1062 7.64,1063 19.934,1064 10.144,1065 3.158,1066 1.414,1067 18.287,1068 3.126,1069 11.234,1070 13.39,1071 8.387,1072 22.185,1073 11.041,1074 3.016,1075 10.844,1076 20.121,1077 3.032,1078 12.423,1079 14.943,1080 9.283,1081 24.574,1082 12.21,1083 2.941,1084 10.18,1085 21.964,1086 3.968,1087 13.447,1088 16.114,1089 10.083,1090 26.884,1091 13.213,1092 2.522,1093 10.058,1094 23.816,1095 3.882,1096 14.591,1097 17.587,1098 10.951,1099 29.25,1100 14.338,1101 2.474,1102 7.478,1103 25.674,1104 3.834,1105 15.667,1106 18.835,1107 11.776,1108 31.586,1109 15.392,1110 2.235,1111 7.106,1112 27.538,1113 3.471,1114 16.796,1115 20.261,1116 12.633,1117 33.945,1118 16.499,1119 2.234,1120 6.208,1121 29.405,1122 2.922,1123 17.897,1124 21.555,1125 13.47,1126 36.293,1127 17.578,1128 58288,1129 98108,1130 37.849,1131 63.847,1132 82.066,1133 83.113,1134 82.785,1135 81.1,1136 81.076,1137 102.869,1138 18.785,1139 217.506,1140 78.778,1141 5.38,1142 5.636,1143 6.497,1144 5.229,1145 5.158,1146 6.968,1147 3.925,1148 17.936,1149 5.06,1150 25.007,1151 1.465,1152 1.484,1153 1.478,1154 1.448,1155 1.448,1156 1.837,1157 0.335,1158 3.884,1159 1.407,1160 4.042,1161 4.064,1162 3.982,1163 3.962,1164 7.477,1165 3.962,1166 3.971,1167 3.992,1168 3.918,1169 3.895,1170 7.472,1171 3.897,1172 3.889,1173 3.909,1174 3.831,1175 3.822,1176 6.469,1177 3.82,1178 3.802,1179 3.834,1180 3.738,1181 3.707,1182 6.352,1183 3.709,1184 3.764,1185 3.804,1186 3.656,1187 3.661,1188 6.35,1189 3.652,1190 3.724,1191 3.774,1192 3.599,1193 3.586,1194 4.959,1195 3.577,1196 3.626,1197 3.658,1198 3.524,1199 3.456,1200 4.899,1201 3.462,1202 3.501,1203 3.54,1204 3.393,1205 3.32,1206 4.819,1207 3.329,1208 0.078,1209 0.065,1210 0.12,1211 0.074,1212 0.056,1213 4.38,1214 0.071,1215 3.636,1216 0.042,1217 6.695,1218 0.194,1219 4.129,1220 0.055,1221 3.158,1222 3.968,1223 2.341,1224 10.844,1225 3.06,1226 1.973,1227 1.951,1228 2.075,1229 2.069,1230 1.366,1231 2.066,1232 1.946,1233 1.927,1234 2.064,1235 2.052,1236 1.326,1237 2.059,1238 1.881,1239 1.861,1240 1.992,1241 1.974,1242 1.153,1243 1.98,1244 1.783,1245 1.752,1246 1.95,1247 1.906,1248 1.147,1249 1.917,1250 1.763,1251 1.722,1252 1.948,1253 1.897,1254 1.113,1255 1.914,1256 1.717,1257 1.665,1258 1.897,1259 1.886,1260 1.013,1261 1.897,1262 1.583,1263 1.544,1264 1.799,1265 1.78,1266 0.979,1267 1.782,1268 1.45,1269 1.407,1270 1.702,1271 1.677,1272 0.915,1273 1.685,1274 4.727,1276 6.004,1278 7.471,1280 9.034,1282 10.651,1289 28.567,1290 4.373,1292 24.916,1294 -1.298,1300 61.044,1301 138.051,1302 350.752,1303 481.895,1304 571.437,1305 602.192,1306 612.192,1307 141.972,1308 9.02,1309 144.64,1310 144.64,1311 30,1312 12.94,1313 4.858,1314 4.087,1315 96.593,1316 385,1317 396,1318 0.118,1319 372.604,1320 677.63,1321 900.914,1322 146758,1324 36.547,1325 0.703,1326 0.558,1327 36.547,1328 29.011,1329 25.385,1330 0.453,1331 0.314,1332 17.352,1333 24.447,1334 17.062,1335 14.084,1336 25.385,1337 17.578,1338 21.822,1339 0.299,1340 0.17,1341 21.822,1342 12.439,1343 17.255,1344 0.188,1345 0.094,1346 17.255,1347 8.647,1348 14.179,1349 0.121,1350 0.052,1351 14.179,1352 6.028,1353 11.688,1354 0.079,1355 0.028,1356 11.688,1357 4.189,1358 0.194,1359 159.238,1360 0.163,1361 45.365,1362 0.299,1363 258,1364 812.507,1365 285.405,1366 762.756,1367 1014.9,1368 714,1369 294,1370 709.385,1371 318.865,1372 710.263,1373 1034.56,1374 670,1375 7.523} {0 CHEMBL44445,1 1.654,2 7.833,3 1.696,4 2.876,5 66.245,6 8.32,7 0.75,8 3.514,9 3.62,10 3.17,11 3.05,12 4.75,13 3.068,14 3.979,15 4.119,16 3.521,17 3.439,18 5.298,19 3.435,20 4.145,21 4.318,22 3.392,23 3.491,24 5.312,25 3.421,26 4.216,27 4.449,28 3.258,29 3.391,30 5.29,31 3.316,32 3.947,33 4.159,34 3.143,35 3.219,36 5.074,37 3.15,38 3.91,39 4.12,40 3.022,41 3.048,42 5.126,43 3.004,44 3.624,45 3.856,46 2.713,47 2.77,48 4.69,49 2.706,50 3.405,51 3.621,52 2.505,53 2.419,54 4.673,55 2.39,56 0.076,57 0.448,58 4.811,59 2.305,60 8.701,61 2.62,62 0.239,63 0.707,64 8.556,65 3.642,66 30.057,67 4.384,68 0.233,69 0.766,70 11.13,71 4.944,72 20.731,73 6.272,74 0.309,75 0.753,76 15.19,77 5.301,78 40.594,79 6.908,80 0.132,81 0.596,82 10.471,83 4.341,84 14.093,85 5.805,86 0.258,87 0.555,88 10.692,89 3.618,90 31.586,91 4.436,92 0.154,93 0.42,94 8.248,95 2.821,96 22.228,97 3.777,98 0.273,99 0.327,100 6.804,101 1.858,102 25.281,103 2.297,104 6,105 28,106 0.312,107 0.723,108 0.851,109 0.903,110 0.903,111 0.903,112 2.96,113 0.829,114 -2.47,115 -2.5,116 -2.44,118 44.8,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,177 3,178 1,180 5,181 1,186 3,189 1,190 1,191 3,194 4,195 1,198 4,203 2,206 1,207 2,210 5,215 2,219 2,222 4,225 1,227 2,234 1,235 1,246 1,250 2,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.199,279 12.405,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.468,288 10.286,289 3.204,290 1.022,291 0.345,292 0.069,293 0.069,294 0.069,295 3.637,299 1,300 1,301 306,302 2.55,305 83.986,306 42.829,309 66.945,313 1.407,314 16.273,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 39.5,326 141,327 4.518,328 3.588,329 6.339,330 4.04,331 3.059,332 4.455,333 1.437,334 9.768,335 2.997,336 4.005,337 3.022,338 5.745,339 3.614,340 2.658,341 3.534,342 0.522,343 7.828,344 2.553,345 3.834,346 2.746,347 5.518,348 3.392,349 2.428,350 3.292,352 7.24,353 2.318,354 3.474,355 2.242,356 5.003,357 3.031,358 2.054,359 2.821,361 5.926,362 1.994,363 3.028,364 1.657,365 4.41,366 2.515,367 1.528,368 2.288,370 4.3,371 1.507,372 2.637,373 1.505,374 3.709,375 2.119,376 1.185,377 1.652,379 2.682,380 1.1,381 2.554,382 1.226,383 3.431,384 2.013,385 1.039,386 1.509,388 2.491,389 0.996,390 2.118,391 0.618,392 3.162,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.95,400 0.537,401 3,402 1.446,403 0.475,404 0.692,406 1.211,407 0.46,408 1.142,409 0.424,410 2.726,411 0.785,412 -0.178,413 -0.228,415 -0.512,416 -0.17,417 0.686,418 0.003,419 2.25,420 0.209,421 -0.774,422 -1.05,424 -2,425 -0.749,426 0.479,427 -0.703,428 2,429 0.007,430 -0.96,431 -1.292,433 -2.203,434 -0.925,435 0.465,436 -0.896,437 1.868,439 -1,440 -1.393,442 -2.666,443 -0.965,444 0.064,445 -1.16,446 1.384,447 -0.301,448 -1.274,449 -1.748,451 -3.496,452 -1.274,453 -0.095,454 -1.342,455 1.288,456 -0.557,457 -1.51,458 -1.984,460 -4.17,461 -1.427,462 8.367,463 0.465,464 0.452,465 0.025,466 25.75,467 1.431,468 13.5,469 0.75,470 12.25,471 0.681,472 9.946,473 0.553,474 18.633,475 0.643,476 16.251,477 0.903,478 5.343,479 0.297,480 3.377,481 0.188,482 0.08,484 0.347,487 0.876,488 1.294,489 0.711,490 0.949,491 0.724,492 0.818,493 0.639,494 1.022,495 0.825,496 0.888,497 0.389,498 0.874,499 0.604,500 1.156,501 1.104,502 1.277,503 0.622,504 1.3,505 1.014,506 0.83,507 1.018,508 0.896,509 0.992,510 0.942,511 0.582,512 1.138,513 0.817,514 1.176,515 0.524,516 1.078,517 1.296,518 0.917,519 1.142,520 0.991,521 1.327,522 1.025,523 0.947,524 1.125,525 0.957,526 1.029,527 0.939,528 1.003,529 1.413,530 0.758,531 1.265,532 0.772,533 1.732,534 0.956,535 4,536 0.04,537 1.556,538 1.201,539 0.853,540 0.358,541 0.314,542 0.137,543 0.099,544 0.055,545 2946,546 9512,547 2.12,548 37.9,550 6,551 1,552 2,553 2,558 1.583,559 2,560 3.005,561 0.429,563 1,564 1,565 1,567 47.967,568 1.654,569 3.836,570 4.513,571 4.789,572 4.789,573 4.789,574 2.489,575 2.906,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,582 1,584 1,585 140.881,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.052,592 0.043,593 0.02,594 0.021,595 0.012,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.388,603 -0.137,604 -0.177,605 0.012,606 0.004,607 -0.11,608 0.033,609 0.099,610 0.099,611 -0.044,612 0.047,613 0.206,614 -0.006,615 0.081,616 -0.161,617 -0.248,618 -0.292,619 0.025,620 -0.338,621 -0.123,622 0.078,623 0.012,624 0.096,625 -0.099,626 0.093,627 0.077,628 -0.231,629 0.139,630 -0.155,631 0.119,632 -0.025,633 -0.179,634 0.022,635 -0.117,636 -0.039,637 -0.17,638 -0.059,639 -0.07,640 -0.213,641 0.08,642 -0.054,643 -0.089,644 0.025,645 0.042,646 0.223,647 -0.163,648 0.108,649 -0.27,650 -0.057,651 2.609,652 3.868,653 0.778,654 13.136,655 1.017,656 1.123,657 1.239,658 1.535,659 0.689,660 3.045,661 3.367,662 3.611,663 3.871,664 4.007,665 4.094,666 4.174,667 4.304,668 4.234,669 4.174,670 4.841,671 0.676,672 241.27,673 3.045,674 4.575,675 5.416,676 6.29,677 7.152,678 8.03,679 8.9,680 9.78,681 10.655,682 11.536,683 10.3,691 2,693 1,698 2,699 7,700 1,701 1,704 2,705 1,706 15,714 1,724 29,726 16,727 1,728 20,730 31,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 11,773 3,774 2,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,830 1,832 2,840 18,845 1,846 1,862 6.9,864 1,865 1,869 9,870 5.1,871 3.889,872 1.556,874 2.882,875 1.444,876 1,877 2.647,878 9.371,879 3.384,880 4.034,881 4.642,882 5.27,883 5.714,884 6.11,885 6.505,886 6.958,887 7.073,888 7.316,889 1,890 23,891 6.6,893 2.839,894 7.963,895 12.342,897 10.101,899 2.463,900 44.333,901 0.001,904 105.94,905 78.293,906 35.47,908 67.828,911 78.293,912 173.768,913 35.47,915 2.106,916 46.952,917 117.684,918 33.491,919 16.672,920 70.627,922 105.94,923 113.764,924 67.828,927 105.94,928 67.828,931 38.456,932 58.522,933 16.786,935 105.94,936 103.298,937 78.293,940 105.94,941 13.675,942 66.518,943 16.786,944 84.614,945 105.94,946 103.298,947 78.293,949 0.584,950 0.33,951 0.175,952 0.09,953 15,954 6,955 0.097,956 3,957 1,958 1.143,959 3.138,960 129.076,961 0.143,962 14,963 75.059,968 11.05,969 4.312,970 2.181,971 1.742,972 84.614,973 12.886,974 3.987,975 2.862,978 1.321,979 1.964,980 59.469,981 287.532,982 28.5,987 10.868,991 -0.942,994 29.494,995 32.575,996 0.34,997 0.79,998 0.929,999 0.986,1000 0.986,1001 0.986,1002 4.593,1003 0.618,1004 5.398,1005 2.491,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.975,1011 5.819,1012 0.475,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.524,1020 7.13,1021 -0.178,1022 8.569,1023 1.211,1024 5.609,1025 6.983,1026 2.269,1027 10.044,1028 5.483,1029 8.479,1030 -0.774,1031 10.255,1032 -0.512,1033 5.994,1034 7.672,1036 11.651,1037 5.847,1038 9.858,1039 -0.96,1040 11.975,1041 -2,1042 7.449,1043 9.54,1044 2.925,1045 14.208,1046 7.274,1047 11.258,1048 -1,1049 13.718,1050 -2.203,1051 8.204,1052 10.638,1054 16.168,1055 8.007,1056 12.675,1057 -1.274,1058 15.477,1059 -2.666,1060 9.443,1061 12.277,1062 3.619,1063 18.54,1064 9.224,1065 3.059,1066 -1.51,1067 17.248,1068 -3.496,1069 10.375,1070 13.579,1072 20.666,1073 10.136,1074 2.658,1075 9.768,1076 19.029,1077 -4.17,1078 11.525,1079 15.124,1080 4.33,1081 22.97,1082 11.268,1083 2.428,1084 7.828,1085 20.817,1086 4.455,1087 12.544,1088 16.524,1090 25.174,1091 12.268,1092 2.054,1093 7.24,1094 22.612,1095 3.534,1096 13.661,1097 18.033,1098 5.047,1099 27.455,1100 13.367,1101 1.528,1102 5.926,1103 24.413,1104 3.292,1105 14.723,1106 19.481,1108 29.696,1109 14.411,1110 1.185,1111 4.3,1112 26.219,1113 2.821,1114 15.829,1115 20.977,1116 5.769,1117 31.971,1118 15.5,1119 1.039,1120 2.682,1121 28.028,1122 2.288,1123 16.914,1124 22.447,1126 34.23,1127 16.567,1128 2864,1129 5229,1130 13.523,1131 19.972,1132 30.587,1133 30.79,1134 30.235,1135 30.078,1136 30.089,1137 42.343,1138 3.916,1139 85.638,1140 29.005,1141 5.288,1142 5.588,1143 5.954,1144 5.09,1145 5.059,1146 7.455,1147 2.873,1148 16.235,1149 4.997,1150 7.237,1151 1.529,1152 1.539,1153 1.512,1154 1.504,1155 1.504,1156 2.117,1157 0.196,1158 4.282,1159 1.45,1160 4.138,1161 4.171,1162 4.099,1163 4.05,1164 7.475,1165 4.057,1166 3.895,1167 3.961,1168 3.84,1169 3.687,1170 6.351,1171 3.717,1172 3.517,1173 3.541,1174 3.463,1175 3.37,1176 4.983,1177 3.386,1178 3.14,1179 3.156,1180 3.069,1181 2.903,1182 4.901,1183 2.924,1184 2.967,1185 3.016,1186 2.84,1187 2.806,1188 4.231,1189 2.823,1190 2.728,1191 2.825,1192 2.558,1193 2.448,1194 3.788,1195 2.463,1196 2.468,1197 2.569,1198 2.259,1199 2.259,1200 3.577,1201 2.249,1202 2.258,1203 2.378,1204 2.047,1205 2.022,1206 3.328,1207 2.015,1208 0.226,1209 0.179,1210 0.317,1211 0.202,1212 0.153,1213 4.518,1214 0.223,1215 3.588,1216 0.072,1217 6.339,1218 0.488,1219 4.04,1220 0.15,1221 3.059,1222 4.455,1223 1.437,1224 9.768,1225 2.997,1226 1.958,1227 1.934,1228 2.05,1229 2.047,1230 1.228,1231 2.05,1232 1.566,1233 1.538,1234 1.684,1235 1.802,1236 0.85,1237 1.764,1238 1.525,1239 1.462,1240 1.654,1241 1.73,1242 0.697,1243 1.711,1244 1.296,1245 1.229,1246 1.472,1247 1.525,1248 0.452,1249 1.514,1250 1.011,1251 0.957,1252 1.209,1253 1.234,1254 0.254,1255 1.207,1256 0.893,1257 0.867,1258 1.125,1259 1.176,1260 0.151,1261 1.161,1262 0.613,1263 0.554,1264 0.916,1265 0.958,1267 0.979,1268 0.406,1269 0.299,1270 0.822,1271 0.694,1273 0.75,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.286,1282 9.701,1289 8.919,1290 0.726,1300 19.601,1301 47.967,1302 111.23,1303 130.881,1304 138.881,1305 138.881,1306 138.881,1307 22.333,1308 6.489,1309 70.91,1310 70.91,1311 16,1312 12.073,1313 4.087,1314 3.248,1315 25.846,1316 54,1317 40,1318 0.252,1319 121.174,1320 195.78,1321 287.425,1322 4778,1324 12.535,1325 0.696,1326 0.528,1327 12.535,1328 9.498,1329 8.72,1330 0.436,1331 0.276,1332 5.438,1333 8.345,1334 5.341,1335 4.425,1336 8.72,1337 5.529,1338 8.061,1339 0.288,1340 0.148,1341 8.061,1342 4.145,1343 6.544,1344 0.182,1345 0.079,1346 6.544,1347 2.84,1348 5.373,1349 0.114,1350 0.042,1351 5.373,1352 1.987,1353 3.993,1354 0.074,1355 0.023,1356 3.993,1357 1.239,1358 0.388,1359 54.997,1360 0.272,1361 18.111,1362 0.706,1363 96,1364 303.508,1365 106.007,1366 295.382,1367 398.02,1368 274,1369 112,1370 289.85,1371 121.955,1372 295.7,1373 427.45,1374 276,1375 8.301} {0 CHEMBL44446,1 1.76,2 7.111,3 2.264,4 5.127,5 70.442,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.709,13 3.098,14 3.936,15 4.054,16 3.681,17 3.541,18 5.254,19 3.473,20 4.074,21 4.216,22 3.664,23 3.579,24 5.2,25 3.463,26 4.124,27 4.308,28 3.461,29 3.493,30 5.19,31 3.374,32 3.94,33 4.113,34 3.357,35 3.345,36 5.069,37 3.248,38 3.93,39 4.101,40 3.352,41 3.232,42 5.215,43 3.165,44 3.768,45 3.961,46 2.721,47 2.854,48 5.033,49 2.764,50 3.27,51 3.538,52 2.245,53 2.211,54 4.515,55 2.162,56 0.062,57 0.393,58 4.01,59 2.486,60 8,61 2.491,62 0.23,63 0.661,64 7.857,65 4.056,66 29.069,67 4.115,68 0.16,69 0.716,70 12.519,71 5.766,72 15.174,73 5.928,74 0.221,75 0.771,76 18.327,77 6.523,78 27.888,79 6.789,80 0.114,81 0.62,82 10.221,83 4.736,84 12.708,85 5.422,86 0.196,87 0.617,88 12.536,89 4.691,90 23.875,91 4.745,92 0.342,93 0.486,94 10.065,95 3.669,96 41.319,97 3.612,98 0.115,99 0.297,100 6.808,101 2.309,102 12.437,103 2.855,104 6,105 28,106 0.334,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.962,113 0.939,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,171 1,172 1,175 1,180 8,181 2,186 3,191 2,194 6,195 1,198 5,203 1,206 2,207 2,210 5,215 2,219 2,222 5,223 1,227 2,233 1,234 2,237 1,248 1,258 1,262 1,270 344,271 12.223,272 12.223,273 12.223,274 12.223,275 12.223,276 10.328,277 10.659,278 7.25,279 12.558,280 9.9,281 9.9,282 9.9,283 9.9,284 9.9,285 7.052,286 15.208,287 3.463,288 10.479,289 3.047,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 276,302 2.55,305 76.793,306 43.421,309 64.892,313 1.136,314 16.09,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 128,327 4.586,328 3.591,329 6.585,330 4.084,331 3.137,332 4.534,333 1.437,334 10.525,335 2.967,336 3.989,337 3.147,338 5.854,339 3.587,340 2.638,341 3.513,342 0.522,343 8.019,344 2.498,345 3.839,346 2.657,347 5.433,348 3.374,349 2.43,350 3.293,352 7.073,353 2.274,354 3.37,355 2.146,356 5.026,357 2.922,358 1.934,359 2.714,361 5.733,362 1.903,363 2.997,364 1.708,365 4.147,366 2.444,367 1.493,368 2.215,370 3.651,371 1.404,372 2.609,373 1.345,374 3.686,375 2.113,376 1.191,377 1.651,379 2.654,380 1.094,381 2.543,382 1.255,383 3.473,384 1.955,385 1,386 1.466,388 2.456,389 0.924,390 2.118,391 0.714,392 3.239,393 1.554,394 0.62,395 0.927,397 1.64,398 0.577,399 2.068,400 0.618,401 3,402 1.518,403 0.618,404 0.882,406 1.372,407 0.544,408 1.214,409 0.426,410 2.654,411 0.822,412 -0.143,413 -0.188,415 -0.373,416 -0.136,417 0.606,418 0.002,419 2.305,420 0.163,421 -0.786,422 -1.031,424 -2,425 -0.731,426 0.5,427 -0.679,428 2,429 0.002,430 -1,431 -1.294,433 -2.052,434 -0.926,435 0.463,436 -1,437 1.888,438 -0.049,439 -1,440 -1.5,442 -2.873,443 -0.959,444 0.078,445 -1.083,446 1.388,447 -0.303,448 -1.242,449 -1.679,451 -3.446,452 -1.194,453 -0.112,454 -1.381,455 1.284,456 -0.577,457 -1.535,458 -2.028,460 -4.025,461 -1.446,462 8.8,463 0.489,464 0.435,465 0.024,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.33,473 0.629,474 18.2,475 0.65,476 15.215,477 0.845,478 5.026,479 0.279,480 3.711,481 0.206,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.705,492 0.761,493 0.609,494 0.729,495 0.831,496 0.71,497 0.39,498 0.762,499 0.625,500 1.107,501 1.063,502 1.252,503 0.672,504 1.18,505 0.84,506 1.074,507 1.374,508 1.286,509 0.78,510 1.077,511 0.643,512 1.192,513 0.881,514 1.089,515 0.556,516 1.116,517 1.191,518 1.124,519 1.085,520 1.133,521 1.154,522 1.006,523 1.636,524 0.945,525 1.149,526 0.883,527 1.971,528 1.178,529 1.127,530 0.842,531 0.535,532 0.712,533 1.008,534 0.8,535 3.5,537 1.778,538 1.104,539 0.978,540 0.371,541 0.317,542 0.14,543 0.068,544 0.049,545 2750,546 9284,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.589,559 2,560 2.879,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.261,575 3.17,576 4.141,577 2.989,578 457.311,579 7.04,580 4252.37,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.175,590 0.063,591 0.046,592 0.044,593 0.019,594 0.017,595 0.014,596 0.011,597 0.012,598 0.402,599 0.67,600 1,601 0.816,602 75.355,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.095,608 0.04,609 0.113,610 0.342,611 0.027,612 0.21,613 0.205,614 0.08,615 0.034,616 -0.158,617 -0.009,618 -0.194,619 -0.013,620 -0.202,621 -0.061,622 -0.099,623 -0.168,624 -0.156,625 -0.038,626 -0.025,627 0.026,628 -0.263,629 0.005,630 -0.163,631 0.06,632 -0.131,633 -0.114,634 -0.156,635 -0.035,636 -0.126,637 -0.054,638 -0.029,639 -0.178,640 -0.026,641 -0.305,642 -0.034,643 -0.404,644 -0.229,645 0.016,646 0.057,647 0.332,648 0.121,649 0.151,650 0.302,651 2.537,652 3.994,653 0.778,654 11.58,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.638,663 3.912,664 4.06,665 4.174,666 4.205,667 4.29,668 4.174,669 4.043,670 4.488,671 0.706,672 258.32,673 3.045,674 4.575,675 5.425,676 6.304,677 7.179,678 8.065,679 8.948,680 9.837,681 10.724,682 11.616,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.917,872 1.521,874 2.943,875 1.454,876 0.996,877 2.878,878 9.432,879 3.384,880 4.034,881 4.663,882 5.299,883 5.741,884 6.156,885 6.507,886 6.933,887 7.031,888 7.202,889 0.8,890 24,891 6.614,893 2.846,894 7.926,895 12.448,897 10.27,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 46.952,917 117.684,918 16.705,919 13.875,920 101.904,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 42.156,942 66.518,944 84.614,945 105.94,946 86.513,947 106.774,949 0.582,950 0.336,951 0.182,952 0.095,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.086,960 131.494,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.191,971 2.013,972 84.614,973 13.013,974 4.004,977 1.321,978 1.492,979 1.967,980 42.683,981 299.227,982 28.5,987 10.994,991 -0.871,994 28.469,995 30.996,996 0.366,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.62,1004 5.407,1005 2.456,1006 4.043,1007 4.718,1008 1.736,1009 6.213,1010 3.932,1011 5.819,1012 0.618,1013 6.959,1014 1.64,1015 3.611,1016 4.543,1018 7.086,1019 3.451,1020 7.133,1021 -0.143,1022 8.612,1023 1.372,1024 5.624,1025 6.996,1026 2.269,1027 10.19,1028 5.409,1029 8.489,1030 -0.786,1031 10.325,1032 -0.373,1033 6.043,1034 7.718,1036 11.914,1037 5.757,1038 9.877,1039 -1,1040 12.075,1041 -2,1042 7.504,1043 9.587,1044 2.925,1045 14.518,1046 7.179,1047 11.29,1048 -1,1049 13.852,1050 -2.052,1051 8.302,1052 10.727,1054 16.595,1055 7.901,1056 12.721,1057 -1.242,1058 15.648,1059 -2.873,1060 9.552,1061 12.371,1062 3.619,1063 19.032,1064 9.113,1065 3.137,1066 -1.535,1067 17.457,1068 -3.446,1069 10.527,1070 13.709,1072 21.263,1073 10.015,1074 2.638,1075 10.525,1076 19.278,1077 -4.025,1078 11.695,1079 15.265,1080 4.33,1081 23.642,1082 11.141,1083 2.43,1084 8.019,1085 21.108,1086 4.534,1087 12.753,1088 16.697,1090 25.94,1091 12.132,1092 1.934,1093 7.073,1094 22.946,1095 3.513,1096 13.893,1097 18.22,1098 5.047,1099 28.3,1100 13.225,1101 1.493,1102 5.733,1103 24.789,1104 3.293,1105 14.99,1106 19.694,1108 30.628,1109 14.26,1110 1.191,1111 3.651,1112 26.639,1113 2.714,1114 16.123,1115 21.207,1116 5.769,1117 32.982,1118 15.342,1119 1,1120 2.654,1121 28.492,1122 2.215,1123 17.24,1124 22.7,1126 35.323,1127 16.399,1128 2697,1129 5050,1130 13.523,1131 20.614,1132 30.59,1133 30.875,1134 30.486,1135 30.093,1136 30.122,1137 42.39,1138 3.916,1139 86.247,1140 28.371,1141 5.363,1142 5.591,1143 6.201,1144 5.2,1145 5.137,1146 7.534,1147 2.873,1148 17.43,1149 4.967,1150 7.134,1151 1.529,1152 1.544,1153 1.524,1154 1.505,1155 1.506,1156 2.12,1157 0.196,1158 4.312,1159 1.419,1160 4.107,1161 4.12,1162 4.342,1163 4.121,1164 7.475,1165 4.072,1166 3.873,1167 3.93,1168 3.846,1169 3.679,1170 6.351,1171 3.704,1172 3.492,1173 3.496,1174 3.516,1175 3.397,1176 4.967,1177 3.378,1178 3.111,1179 3.164,1180 3.135,1181 2.993,1182 4.809,1183 2.97,1184 3.029,1185 3.036,1186 3.003,1187 2.779,1188 4.123,1189 2.825,1190 2.58,1191 2.65,1192 2.603,1193 2.467,1194 3.82,1195 2.412,1196 2.454,1197 2.553,1198 2.267,1199 2.265,1200 3.415,1201 2.238,1202 2.238,1203 2.314,1204 2.122,1205 2.034,1206 3.299,1207 2.029,1208 0.229,1209 0.18,1210 0.329,1211 0.204,1212 0.157,1213 4.586,1214 0.227,1215 3.591,1216 0.072,1217 6.585,1218 0.526,1219 4.084,1220 0.148,1221 3.137,1222 4.534,1223 1.437,1224 10.525,1225 2.967,1226 1.952,1227 1.935,1228 2.03,1229 2.018,1230 1.24,1231 2.029,1232 1.569,1233 1.555,1234 1.7,1235 1.753,1236 0.859,1237 1.741,1238 1.452,1239 1.419,1240 1.501,1241 1.614,1242 0.65,1243 1.595,1244 1.29,1245 1.222,1246 1.446,1247 1.525,1248 0.427,1249 1.512,1250 0.978,1251 0.953,1252 1.157,1253 1.184,1254 0.276,1255 1.171,1256 0.912,1257 0.873,1258 1.079,1259 1.063,1260 0.199,1261 1.107,1262 0.592,1263 0.581,1264 0.788,1265 0.813,1267 0.875,1268 0.349,1269 0.243,1270 0.713,1271 0.633,1273 0.694,1274 3.714,1276 5.03,1277 3.045,1278 6.526,1279 5.283,1280 8.11,1281 7.298,1282 9.745,1289 9.029,1290 0.705,1300 19.767,1301 49.281,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 23.272,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.144,1313 4.087,1314 3.248,1315 25.652,1316 48,1317 40,1318 0.273,1319 125.511,1320 203.29,1321 298.007,1322 4758,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.737,1330 0.437,1331 0.313,1332 5.441,1333 7.987,1334 5.258,1335 4.344,1336 9.145,1337 6.26,1338 7.977,1339 0.285,1340 0.18,1341 8.592,1342 5.039,1343 6.595,1344 0.178,1345 0.107,1346 7.535,1347 3.963,1348 5.479,1349 0.112,1350 0.06,1351 6.351,1352 2.932,1353 4.067,1354 0.071,1355 0.034,1356 4.844,1357 1.932,1358 0.411,1359 58.773,1360 0.272,1361 17.845,1362 0.798,1363 96,1364 304.036,1365 129.576,1366 316.219,1367 425.94,1368 294,1369 113,1370 291.339,1371 146.677,1372 313.277,1373 457.07,1374 293,1375 6.921} {0 CHEMBL445644,1 1.485,2 12.788,3 4.024,4 16.189,5 124.406,6 7.152,7 0.343,8 4.215,9 4.318,10 3.731,11 3.731,12 5.341,13 3.709,14 4.773,15 4.929,16 4.09,17 4.102,18 5.88,19 4.064,20 5.068,21 5.242,22 4.189,23 4.272,24 6.123,25 4.211,26 5.219,27 5.447,28 4.15,29 4.307,30 6.2,31 4.225,32 5.115,33 5.31,34 4.188,35 4.365,36 6.111,37 4.274,38 5.293,39 5.536,40 4.179,41 4.394,42 6.252,43 4.284,44 5.217,45 5.449,46 4.1,47 4.335,48 6.232,49 4.223,50 5.156,51 5.406,52 3.993,53 4.288,54 6.062,55 4.156,56 0.036,57 0.827,58 13.379,59 6.301,60 18.269,61 7.9,62 0.402,63 1.313,64 25.81,65 10.277,66 59.489,67 13.262,68 0.616,69 1.666,70 36.094,71 13.317,72 74.275,73 17.183,74 0.872,75 1.832,76 44.722,77 14.769,78 102.556,79 19.705,80 0.294,81 1.84,82 36.889,83 14.588,84 62.681,85 19.602,86 0.616,87 2.075,88 46.968,89 16.207,90 100.053,91 22.65,92 0.739,93 1.921,94 43.532,95 15.009,96 113.104,97 20.688,98 0.442,99 1.835,100 40.571,101 14.712,102 73.079,103 20.738,104 46,105 48,106 0.238,107 0.599,108 0.808,109 0.872,110 0.882,111 0.882,112 3.532,113 0.946,114 -3.64,115 -3.61,116 -3.44,118 41.3,119 3,120 3,121 1,124 1,126 1,127 1,129 1,133 2,140 5,141 3,142 1,143 2,154 2,163 1,167 1,168 12,169 1,171 1,172 11,175 1,177 1,180 13,181 1,185 2,186 12,191 1,194 9,195 1,197 2,198 9,203 1,206 9,207 1,210 14,215 1,218 12,219 1,221 1,222 13,227 1,229 9,230 1,233 3,234 10,239 1,242 13,247 4,248 2,255 12,256 1,258 2,259 7,262 2,264 1,267 13,268 1,270 2139,271 21.877,272 21.877,273 21.877,274 21.877,275 21.877,276 19.816,277 25.191,278 13.12,279 22.16,280 17.236,281 17.236,282 17.236,283 17.236,284 17.236,285 14.189,286 29.416,287 6.188,288 17.736,289 4.493,290 2.243,291 0.943,292 0.544,293 0.48,294 0.48,295 4.211,299 1,300 1,301 873,302 4.416,306 359.542,313 2.145,314 38.919,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 72,326 422,327 4.464,328 4.077,329 7.318,330 4.367,331 3.414,332 3.967,333 2.341,334 12.567,335 3.247,336 4.246,337 3.798,338 6.501,339 3.962,340 2.993,341 3.59,342 2.035,343 10.198,344 2.896,345 4.114,346 3.597,347 6.151,348 3.811,349 2.826,350 3.346,351 1.465,352 9.045,353 2.782,354 3.567,355 3.336,356 5.251,357 3.257,358 2.266,359 2.8,360 0.86,361 6.414,362 2.238,363 3.542,364 2.931,365 5.01,366 3.218,367 2.223,368 2.73,369 0.811,370 5.852,371 2.193,372 3.513,373 2.526,374 4.822,375 3.094,376 2.108,377 2.67,379 5.185,380 2.076,381 3.279,382 2.363,383 4.659,384 2.727,385 1.756,386 2.217,388 5.066,389 1.696,390 3.114,391 2.22,392 4.307,393 2.574,394 1.607,395 2.185,397 4.01,398 1.55,399 2.85,400 1.949,401 4.122,402 2.463,403 1.503,404 1.927,406 3.641,407 1.438,408 2.664,409 1.862,410 3.637,411 2.429,412 1.443,413 1.595,415 3.137,416 1.415,417 2.598,418 1.647,419 3.48,420 1.958,421 1,422 1.5,424 2.477,425 0.955,426 2.5,427 1.402,428 3.296,429 1.913,430 1,431 1.136,433 2.136,434 0.903,435 2.17,436 1.217,437 3.247,438 1.773,439 0.78,440 0.985,442 1.674,443 0.769,444 1.919,445 1,446 3.038,447 1.514,448 0.564,449 0.831,451 1.096,452 0.533,453 1.498,454 0.751,455 2.837,456 1.063,457 0.128,458 0.17,460 0.247,461 0.118,462 15.467,463 0.469,464 0.875,465 0.027,466 38.25,467 1.159,468 18,469 0.545,470 20.25,471 0.614,472 34.34,473 1.041,474 36.733,475 0.583,476 31.214,477 0.946,478 7.419,479 0.225,480 8.378,481 0.254,482 0.166,483 0.032,484 0.259,487 0.819,488 1.261,489 0.828,490 1.196,491 0.696,492 1.045,493 0.932,494 1.076,495 0.881,496 1.067,497 0.51,498 0.981,499 1.244,500 1.161,501 1.114,502 1.168,503 0.861,504 1.132,505 1.415,506 0.76,507 1.027,508 0.769,509 0.832,510 0.824,511 0.879,512 1.262,513 1.046,514 1.252,515 0.646,516 1.194,517 0.974,518 0.997,519 0.991,520 0.999,521 0.753,522 0.994,523 1.061,524 0.95,525 1.091,526 0.986,527 0.957,528 1.035,529 0.797,530 1.014,531 0.979,532 1.033,533 0.684,534 1.036,535 7.5,536 0.243,537 4,538 2.188,539 2.058,540 1.458,541 0.749,542 0.545,543 0.488,544 0.277,545 14389,546 41793,547 1.987,548 47.6,549 7,550 10,551 1,552 2,553 1,554 2,555 6,556 1,558 1.757,559 1.842,560 3.603,561 -0.382,563 1,567 93.541,568 1.485,569 3.734,570 5.035,571 5.433,572 5.497,573 5.497,574 3.127,575 4.741,576 5.007,577 3.813,578 2013.4,579 8.8,580 30465.1,582 1,585 376.569,586 1.573,587 4.957,588 0.214,589 0.007,590 0.083,591 0.044,592 0.042,593 0.029,594 0.015,595 0.012,596 0.012,597 0.007,598 0.465,599 0.33,600 1,601 1.609,602 175.57,603 -0.034,604 -0.091,605 0.039,606 -0.054,607 -0.043,608 -0.003,609 0.109,610 -0.013,611 0.066,612 -0.009,613 0.139,614 0.019,615 -0.023,616 -0.155,617 -0.127,618 -0.148,619 -0.063,620 -0.156,621 -0.147,622 0.179,623 0.006,624 0.191,625 -0.039,626 0.134,627 -0.056,628 -0.229,629 -0.115,630 -0.212,631 -0.011,632 -0.181,633 -0.051,634 -0.019,635 -0.007,636 -0.029,637 -0.034,638 -0.011,639 -0.058,640 0.038,641 -0.102,642 -0.014,643 -0.072,644 -0.059,645 -0.041,646 -0.037,647 -0.021,648 -0.044,649 -0.048,650 -0.029,651 2.476,652 3.709,653 0.545,654 40.468,655 1.003,656 1.125,657 2.406,658 5.79,659 0.65,660 3.584,661 3.892,662 4.094,663 4.317,664 4.564,665 4.615,666 4.718,667 4.762,668 4.844,669 4.913,670 7.551,671 0.619,672 450.58,673 3.584,674 5.118,675 5.943,676 6.815,677 7.667,678 8.547,679 9.414,680 10.299,681 11.174,682 12.063,683 3.2,692 1,693 1,699 7,700 1,704 4,706 12,707 1,722 1,724 63,726 15,727 1,728 35,730 65,731 26,733 11,734 3,735 3,739 3,740 3,745 3,748 1,749 1,751 4,752 1,753 14,754 11,755 2,756 2,761 1,763 2,765 1,769 1,772 30,773 7,774 1,775 7,779 2,784 1,785 5,795 1,802 3,818 1,822 2,830 1,831 2,832 3,836 3,840 33,845 1,846 4,848 3,850 3,852 1,853 1,858 1,860 1,862 7.9,864 1,865 1,866 2,867 1,869 17.917,870 12.017,871 7.375,872 3.747,874 2.102,875 1.283,876 0.903,877 8.494,878 9.527,879 3.829,880 4.304,881 4.727,882 5.187,883 5.662,884 5.681,885 5.902,886 5.998,887 6.17,888 6.452,889 0.889,890 50,891 12.24,893 5.14,894 7.881,895 23.125,897 18.653,899 2.381,900 78.583,903 1,904 341.362,905 155.772,906 47.845,908 100.828,911 155.772,912 442.19,913 47.845,914 26.476,915 12.196,916 66.693,917 147.667,918 74.954,919 11.771,920 306.049,922 341.362,923 203.616,924 100.828,927 258.964,928 161.226,929 22,930 0.36,931 87.826,932 79.693,933 35.738,935 341.362,936 148.673,937 155.772,940 341.722,941 27.906,942 110.904,943 16.602,944 148.673,945 341.362,946 148.673,947 155.772,949 0.575,950 0.319,951 0.167,952 0.096,953 20,954 10,955 0.138,956 9,958 1,959 4.284,960 293.038,962 18,963 164.465,968 24.766,969 11.317,970 6.805,972 148.673,973 12.838,974 4.238,978 2.88,980 42.683,981 645.806,982 45,987 10.709,989 3.867,991 -0.81,994 63.211,995 70.856,996 0.248,997 0.625,998 0.842,999 0.909,1000 0.92,1001 0.92,1002 5.081,1003 1.607,1004 5.948,1005 5.066,1006 4.575,1007 4.99,1008 3.216,1009 6.772,1010 4.513,1011 6.274,1012 1.503,1013 7.522,1014 4.01,1015 4.29,1016 4.691,1017 2.243,1018 7.941,1019 4.201,1020 7.57,1021 1.443,1022 9.215,1023 3.641,1024 6.217,1025 7.016,1026 4.42,1027 10.976,1028 6.087,1029 8.895,1030 1,1031 10.983,1032 3.137,1033 6.758,1034 7.479,1035 4.112,1036 12.999,1037 6.584,1038 10.251,1039 1,1040 12.803,1041 2.477,1042 8.202,1043 9.326,1044 5.842,1045 15.642,1046 7.988,1047 11.628,1048 0.78,1049 14.658,1050 2.136,1051 9.113,1052 10.163,1053 5.889,1054 17.972,1055 8.844,1056 13.023,1057 0.564,1058 16.54,1059 1.674,1060 10.386,1061 11.793,1062 7.361,1063 20.511,1064 10.074,1065 3.414,1066 0.128,1067 18.443,1068 1.096,1069 11.461,1070 12.838,1071 7.625,1072 22.955,1073 11.092,1074 2.993,1075 12.567,1076 20.36,1077 0.247,1078 12.676,1079 14.353,1080 8.931,1081 25.47,1082 12.26,1083 2.826,1084 10.198,1085 22.289,1086 3.967,1087 13.823,1088 15.522,1089 9.342,1090 27.958,1091 13.35,1092 2.266,1093 9.045,1094 24.228,1095 3.59,1096 15.025,1097 16.972,1098 10.535,1099 30.472,1100 14.501,1101 2.223,1102 6.414,1103 26.174,1104 3.346,1105 16.204,1106 18.216,1107 11.051,1108 32.98,1109 15.624,1110 2.108,1111 5.852,1112 28.127,1113 2.8,1114 17.406,1115 19.629,1116 12.161,1117 35.498,1118 16.773,1119 1.756,1120 5.185,1121 30.085,1122 2.73,1123 18.602,1124 20.92,1125 12.755,1126 38.015,1127 17.914,1128 14331,1129 24518,1130 22.652,1131 40.943,1132 53.501,1133 55.579,1134 53.066,1135 51.274,1136 51.317,1137 63.404,1138 15.023,1139 145.69,1140 49.706,1141 5.464,1142 6.077,1143 7.12,1144 5.443,1145 5.414,1146 6.967,1147 4.376,1148 20.051,1149 5.247,1150 19.14,1151 1.529,1152 1.588,1153 1.516,1154 1.465,1155 1.466,1156 1.812,1157 0.429,1158 4.163,1159 1.42,1160 3.998,1161 4.022,1162 3.938,1163 3.898,1164 7.474,1165 3.902,1166 3.917,1167 3.944,1168 3.86,1169 3.831,1170 6.82,1171 3.834,1172 3.76,1173 3.804,1174 3.665,1175 3.645,1176 6.351,1177 3.641,1178 3.702,1179 3.737,1180 3.599,1181 3.54,1182 4.946,1183 3.547,1184 3.557,1185 3.603,1186 3.437,1187 3.401,1188 4.837,1189 3.399,1190 3.327,1191 3.357,1192 3.221,1193 3.126,1194 4.698,1195 3.139,1196 3.265,1197 3.327,1198 3.192,1199 3.106,1200 4.393,1201 3.119,1202 3.06,1203 3.129,1204 2.913,1205 2.903,1206 4.325,1207 2.897,1208 0.128,1209 0.116,1210 0.209,1211 0.125,1212 0.098,1213 4.464,1214 0.113,1215 4.077,1216 0.067,1217 7.318,1218 0.359,1219 4.367,1220 0.093,1221 3.414,1222 3.967,1223 2.341,1224 12.567,1225 3.247,1226 1.927,1227 1.908,1228 2.05,1229 2.06,1230 1.362,1231 2.054,1232 1.9,1233 1.871,1234 2.021,1235 2.003,1236 1.158,1237 2.008,1238 1.749,1239 1.706,1240 1.927,1241 1.894,1242 1.131,1243 1.906,1244 1.665,1245 1.626,1246 1.879,1247 1.852,1248 1.075,1249 1.859,1250 1.536,1251 1.487,1252 1.772,1253 1.729,1254 0.935,1255 1.744,1256 1.256,1257 1.219,1258 1.519,1259 1.507,1260 0.647,1261 1.496,1262 1.24,1263 1.183,1264 1.494,1265 1.44,1266 0.581,1267 1.466,1268 1.044,1269 0.983,1270 1.417,1271 1.239,1272 0.469,1273 1.308,1274 4.263,1276 5.572,1278 7.074,1280 8.668,1282 10.314,1284 5.689,1289 8.799,1290 1.725,1292 18.725,1294 -0.892,1296 -0.858,1298 9.488,1299 2.185,1300 38.992,1301 93.541,1302 235.236,1303 317.185,1304 342.304,1305 346.304,1306 346.304,1307 87.736,1308 7.425,1309 101.67,1310 101.67,1311 18,1312 12.596,1313 4,1314 3.459,1315 63.994,1316 145,1317 174,1318 0.211,1319 242.287,1320 439.03,1321 582.94,1322 16054,1324 23.847,1325 0.723,1326 0.583,1327 23.847,1328 19.231,1329 15.797,1330 0.451,1331 0.315,1332 10.885,1333 15.18,1334 10.517,1335 8.761,1336 15.797,1337 11.034,1338 14.403,1339 0.3,1340 0.182,1341 14.403,1342 8.725,1343 10.98,1344 0.186,1345 0.093,1346 10.98,1347 5.5,1348 8.784,1349 0.119,1350 0.051,1351 8.784,1352 3.781,1353 7.282,1354 0.077,1355 0.028,1356 7.282,1357 2.626,1358 0.332,1359 99.276,1360 0.21,1361 30.782,1362 0.579,1363 166,1364 520.382,1365 185.353,1366 491.931,1367 651.02,1368 458,1369 190,1370 456.461,1371 209.329,1372 460.157,1373 666.55,1374 429,1375 7.452} {0 CHEMBL44705,1 1.739,2 9.524,3 2.799,4 7.835,5 81.423,6 8.639,7 0.652,8 3.683,9 3.768,10 3.424,11 3.272,12 4.874,13 3.244,14 4.176,15 4.312,16 3.81,17 3.662,18 5.424,19 3.606,20 4.311,21 4.46,22 3.819,23 3.723,24 5.405,25 3.631,26 4.35,27 4.512,28 3.637,29 3.66,30 5.458,31 3.551,32 4.32,33 4.529,34 3.355,35 3.419,36 5.466,37 3.326,38 4.114,39 4.339,40 3.248,41 3.259,42 5.214,43 3.172,44 3.875,45 4.033,46 3.167,47 3.167,48 5.095,49 3.078,50 3.786,51 3.982,52 3.081,53 3.139,54 4.765,55 3.011,56 0.075,57 0.496,58 6.063,59 3.358,60 9.196,61 3.58,62 0.315,63 0.811,64 12.773,65 5.581,66 36.843,67 5.993,68 0.339,69 0.878,70 17.918,71 7.156,72 22.959,73 7.493,74 0.22,75 0.902,76 20.706,77 8.014,78 20.306,79 8.66,80 0.409,81 0.799,82 18.47,83 6.695,84 48.613,85 7.697,86 0.298,87 0.671,88 17.114,89 5.756,90 35.727,91 6.626,92 0.39,93 0.556,94 12.142,95 4.225,96 33.605,97 4.694,98 0.12,99 0.535,100 9.133,101 3.991,102 14.027,103 4.858,104 11,105 32,106 0.316,107 0.724,108 0.861,109 0.886,110 0.886,111 0.886,112 3.102,113 0.954,114 -3.26,115 -3.25,116 -3.11,118 42.9,119 1,124 2,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,171 1,172 2,175 1,180 8,181 2,185 1,186 3,191 2,194 6,195 2,198 4,203 2,206 3,207 2,209 1,210 5,215 2,219 1,222 3,223 1,227 1,233 1,234 4,237 1,247 2,259 3,260 1,270 536,271 14.137,272 14.137,273 14.137,274 14.137,275 14.137,276 12.19,277 13.069,278 8.352,279 14.622,280 11.346,281 11.346,282 11.346,283 11.346,284 11.346,285 8.396,286 11.905,287 3.961,288 12.153,289 3.39,290 1.14,291 0.386,292 0.25,293 0.25,294 0.25,295 3.78,298 1,299 1,300 1,301 429,302 3,305 109.005,306 54.433,309 85.193,313 1.642,314 20.965,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 46,326 200,327 4.655,328 3.634,329 6.771,330 4.171,331 3.219,332 4.605,333 1.437,334 11.019,335 3.061,336 3.951,337 3.114,338 5.872,339 3.538,340 2.591,341 3.48,342 0.86,343 7.969,344 2.453,345 3.913,346 2.806,347 5.364,348 3.447,349 2.522,350 3.421,352 7.008,353 2.317,354 3.562,355 2.612,356 5.3,357 3.154,358 2.198,359 2.879,361 6.635,362 2.084,363 3.161,364 1.994,365 4.857,366 2.646,367 1.725,368 2.452,370 5.079,371 1.564,372 2.787,373 1.649,374 4.079,375 2.363,376 1.429,377 1.828,379 3.234,380 1.325,381 2.699,382 1.553,383 3.61,384 2.237,385 1.27,386 1.746,388 2.973,389 1.21,390 2.227,391 1.171,392 3.383,393 1.823,394 0.917,395 1.138,397 2.054,398 0.823,399 2.118,400 0.932,401 3.197,402 1.592,403 0.682,404 0.94,406 1.698,407 0.602,408 2.077,409 0.618,410 3,411 1.553,412 0.618,413 0.927,415 1.372,416 0.577,417 1.155,418 0.424,419 2.617,420 0.859,421 -0.062,422 -0.072,424 -0.153,425 -0.056,426 0.918,427 0.183,428 2.351,429 0.497,430 -0.439,431 -0.545,433 -1.09,434 -0.398,435 0.649,436 -0.181,437 2.264,438 0.236,439 -0.7,440 -0.903,442 -1.906,443 -0.64,444 0.47,445 -0.456,446 2.076,447 -0.004,448 -1,449 -1.336,451 -2,452 -0.956,453 0.255,454 -0.976,455 1.696,456 -0.158,457 -1.105,458 -1.469,460 -2.855,461 -1.066,462 10.133,463 0.483,464 0.524,465 0.025,466 27.75,467 1.321,468 14,469 0.667,470 13.75,471 0.655,472 15.271,473 0.727,474 22.267,475 0.636,476 17.6,477 0.838,478 5.525,479 0.263,480 4.623,481 0.22,482 0.115,484 0.336,487 0.839,488 1.209,489 0.703,490 0.918,491 0.726,492 0.862,493 0.851,494 0.77,495 0.81,496 0.727,497 0.445,498 0.742,499 0.957,500 0.906,501 1.052,502 1.072,503 0.773,504 1.011,505 0.836,506 1.319,507 1.348,508 1.546,509 0.74,510 1.341,511 1.264,512 0.951,513 0.944,514 0.935,515 1.28,516 1.053,517 1.141,518 0.873,519 0.939,520 0.874,521 1.164,522 0.82,523 0.878,524 1.1,525 1.209,526 1.102,527 0.748,528 1.119,529 0.61,530 1.206,531 0.891,532 1.04,533 0.559,534 1.171,535 4,536 0.099,537 2.222,538 1.799,539 0.903,540 0.535,541 0.335,542 0.181,543 0.121,544 0.121,545 4717,546 15195,547 2.074,548 40,549 3,550 7,551 1,552 2,553 1,558 1.626,559 1.938,560 3.237,561 -0.244,563 1,565 1,567 60.864,568 1.739,569 3.989,570 4.743,571 4.879,572 4.879,573 4.879,574 2.725,575 3.916,576 4.361,577 3.417,578 717.661,579 7.443,580 7777.48,581 1,582 1,583 1,584 1,585 179.525,586 1.418,587 4.322,588 0.174,589 0.01,590 0.069,591 0.062,592 0.036,593 0.028,594 0.019,595 0.011,596 0.009,597 0.01,598 0.428,599 0.33,600 1,601 0.819,602 96.161,603 -0.086,604 -0.148,605 0.05,606 0.012,607 -0.089,608 0.014,609 0.031,610 0.311,611 0.099,612 0.244,613 0.198,614 0.165,615 -0.044,616 0.097,618 -0.001,619 -0.066,620 -0.041,621 -0.017,622 -0.353,623 -0.233,624 -0.437,625 0.007,626 -0.33,627 -0.11,628 -0.072,629 -0.054,630 -0.05,631 -0.115,632 -0.074,633 -0.1,634 0.037,635 0.087,636 0.099,637 -0.043,638 0.203,639 0.196,640 -0.118,641 -0.213,642 -0.107,643 0.088,644 -0.174,645 -0.022,646 -0.215,647 -0.018,648 -0.107,649 -0.034,650 -0.181,651 2.545,652 4.15,653 0.667,654 18.694,655 1.016,656 1.115,657 2.027,658 4.107,659 0.703,660 3.178,661 3.497,662 3.761,663 4.007,664 4.094,665 4.19,666 4.248,667 4.304,668 4.234,669 4.19,670 5.827,671 0.672,672 302.38,673 3.178,674 4.71,675 5.557,676 6.431,677 7.298,678 8.18,679 9.056,680 9.943,681 10.824,682 11.715,683 5.7,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,722 1,724 35,726 16,727 1,728 23,730 37,731 15,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 3,756 1,761 1,765 1,768 1,769 1,772 14,773 4,774 1,775 6,776 1,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,834 1,836 1,840 21,845 1,846 2,848 1,856 1,862 8.6,864 1,865 1,867 1,869 10.833,870 6.6,871 4.611,872 1.972,874 2.796,875 1.415,876 0.967,877 4.037,878 9.539,879 3.481,880 4.119,881 4.736,882 5.349,883 5.757,884 6.131,885 6.468,886 6.8,887 6.77,888 6.785,889 1,890 29,891 7.735,893 3.279,894 7.897,895 14.574,897 11.803,899 2.397,900 50.333,904 153.024,905 115.959,906 18.685,908 78.828,910 31.278,911 84.682,912 231.852,913 18.685,914 8.825,915 6.698,916 37.476,917 117.684,918 32.948,919 13.875,920 148.989,922 153.024,923 103.366,924 78.828,925 31.278,927 153.024,928 78.828,931 35.088,932 51.492,933 16.786,934 31.278,935 153.024,936 97.513,937 115.959,940 153.024,941 51.992,942 65.866,944 95.614,945 153.024,946 97.513,947 115.959,949 0.582,950 0.34,951 0.181,952 0.085,953 16,954 7,955 0.135,956 5,957 1,958 1.143,959 3.431,960 156.493,961 0.143,962 14,963 92.239,964 1,968 14.233,969 5.957,970 2.988,971 1.907,972 95.614,973 11.047,974 3.971,977 1.283,978 1.953,979 1.941,980 42.683,981 366.496,982 31.5,987 11.15,991 -0.878,994 35.564,995 39.036,996 0.339,997 0.778,998 0.925,999 0.951,1000 0.951,1001 0.951,1002 4.698,1003 0.917,1004 5.541,1005 2.973,1006 4.174,1007 4.804,1008 1.888,1009 6.347,1010 4.044,1011 5.921,1012 0.682,1013 7.099,1014 2.054,1015 3.761,1016 4.677,1018 7.248,1019 3.593,1020 7.237,1021 0.618,1022 8.76,1023 1.698,1024 5.759,1025 7.077,1026 2.362,1027 10.355,1028 5.518,1029 8.595,1030 -0.062,1031 10.481,1032 1.372,1033 6.196,1034 7.838,1036 12.121,1037 5.912,1038 9.988,1039 -0.439,1040 12.242,1041 -0.153,1042 7.652,1043 9.683,1044 2.965,1045 14.751,1046 7.313,1047 11.406,1048 -0.7,1049 14.032,1050 -1.09,1051 8.477,1052 10.854,1054 16.882,1055 8.089,1056 12.844,1057 -1,1058 15.843,1059 -1.906,1060 9.731,1061 12.491,1062 3.635,1063 19.358,1064 9.297,1065 3.219,1066 -1.105,1067 17.671,1068 -2,1069 10.736,1070 13.856,1072 21.645,1073 10.252,1074 2.591,1075 11.019,1076 19.512,1077 -2.855,1078 11.918,1079 15.416,1080 4.335,1081 24.07,1082 11.39,1083 2.522,1084 7.969,1085 21.365,1086 4.605,1087 13.007,1088 16.869,1090 26.422,1091 12.428,1092 2.198,1093 7.008,1094 23.227,1095 3.48,1096 14.168,1097 18.403,1098 5.05,1099 28.83,1100 13.545,1101 1.725,1102 6.635,1103 25.097,1104 3.421,1105 15.295,1106 19.896,1108 31.209,1109 14.622,1110 1.429,1111 5.079,1112 26.974,1113 2.879,1114 16.453,1115 21.422,1116 5.77,1117 33.611,1118 15.734,1119 1.27,1120 3.234,1121 28.856,1122 2.452,1123 17.599,1124 22.933,1126 36.001,1127 16.831,1128 4576,1129 8331,1130 15.315,1131 24.591,1132 34.91,1133 35.218,1134 35.214,1135 34.352,1136 34.343,1137 46.835,1138 4.593,1139 98.08,1140 32.03,1141 5.527,1142 5.634,1143 6.428,1144 5.3,1145 5.219,1146 7.605,1147 2.873,1148 18.251,1149 5.061,1150 9.799,1151 1.518,1152 1.531,1153 1.531,1154 1.494,1155 1.493,1156 2.036,1157 0.2,1158 4.264,1159 1.393,1160 4.098,1161 4.099,1162 4.344,1163 4.119,1164 7.475,1165 4.07,1166 3.918,1167 3.985,1168 3.861,1169 3.705,1170 6.351,1171 3.734,1172 3.552,1173 3.563,1174 3.566,1175 3.43,1176 4.967,1177 3.426,1178 3.318,1179 3.367,1180 3.202,1181 3.115,1182 4.882,1183 3.116,1184 3.166,1185 3.209,1186 3.141,1187 2.99,1188 4.468,1189 2.947,1190 2.938,1191 2.959,1192 3.013,1193 2.791,1194 3.98,1195 2.805,1196 2.79,1197 2.855,1198 2.607,1199 2.613,1200 3.737,1201 2.596,1202 2.518,1203 2.615,1204 2.332,1205 2.317,1206 3.633,1207 2.3,1208 0.202,1209 0.158,1210 0.294,1211 0.181,1212 0.14,1213 4.655,1214 0.2,1215 3.634,1216 0.062,1217 6.771,1218 0.479,1219 4.171,1220 0.133,1221 3.219,1222 4.605,1223 1.437,1224 11.019,1225 3.061,1226 1.926,1227 1.914,1228 2.002,1229 1.999,1230 1.176,1231 2.003,1232 1.637,1233 1.6,1234 1.831,1235 1.864,1236 1.08,1237 1.858,1238 1.578,1239 1.553,1240 1.682,1241 1.693,1242 0.861,1243 1.705,1244 1.309,1245 1.246,1246 1.498,1247 1.527,1248 0.528,1249 1.52,1250 1.139,1251 1.108,1252 1.326,1253 1.417,1254 0.391,1255 1.39,1256 1.053,1257 0.98,1258 1.248,1259 1.344,1260 0.316,1261 1.346,1262 0.879,1263 0.86,1264 1.093,1265 1.044,1266 0.128,1267 1.088,1268 0.731,1269 0.676,1270 0.922,1271 0.892,1272 0.071,1273 0.919,1274 3.85,1276 5.165,1277 3.045,1278 6.658,1279 5.352,1280 8.238,1281 7.413,1282 9.87,1284 1.835,1289 9.154,1290 1.264,1292 5.708,1300 23.535,1301 60.864,1302 139.609,1303 166.015,1304 170.77,1305 170.77,1306 170.77,1307 31.714,1308 6.743,1309 64.35,1310 92.59,1311 16,1312 12.246,1313 4.087,1314 3.248,1315 32.448,1316 74,1317 64,1318 0.22,1319 148.692,1320 246.68,1321 354.568,1322 6956,1324 14.82,1325 0.706,1326 0.584,1327 15.173,1328 12.261,1329 10.148,1330 0.441,1331 0.318,1332 6.463,1333 9.259,1334 6.227,1335 5.144,1336 10.556,1337 7.316,1338 9.187,1339 0.287,1340 0.179,1341 9.803,1342 5.72,1343 7.631,1344 0.182,1345 0.108,1346 8.575,1347 4.524,1348 6.365,1349 0.118,1350 0.06,1351 7.291,1352 3.264,1353 4.325,1354 0.073,1355 0.033,1356 5.12,1357 1.976,1358 0.348,1359 68.145,1360 0.256,1361 21.139,1362 0.59,1363 110,1364 363.771,1365 147.119,1366 366.129,1367 493.27,1368 342,1369 129,1370 339.794,1371 165.888,1372 358.451,1373 523.78,1374 336,1375 6.854} {0 CHEMBL44865,1 1.357,2 25.962,3 9.34,4 87.232,5 207.899,6 6.618,7 0.321,8 4.75,9 4.864,10 4.188,11 4.267,12 5.788,13 4.222,14 5.318,15 5.49,16 4.48,17 4.649,18 6.363,19 4.561,20 5.64,21 5.879,22 4.523,23 4.799,24 6.506,25 4.677,26 5.681,27 5.921,28 4.521,29 4.821,30 6.564,31 4.692,32 5.698,33 5.939,34 4.552,35 4.872,36 6.543,37 4.736,38 5.765,39 6.015,40 4.541,41 4.896,42 6.621,43 4.747,44 5.761,45 6.024,46 4.461,47 4.853,48 6.56,49 4.694,50 5.691,51 5.949,52 4.445,53 4.787,54 6.515,55 4.638,56 0.088,57 1.411,58 25.491,59 11.589,60 20.942,61 15.076,62 0.577,63 2.292,64 46.636,65 19.05,66 88.474,67 25.674,68 0.651,69 2.906,70 65.738,71 24.694,72 98.751,73 34.163,74 0.869,75 2.994,76 68.961,77 25.441,78 115.895,79 35.191,80 0.623,81 3.128,82 69.188,83 26.581,84 96.681,85 37.048,86 0.819,87 3.299,88 74.485,89 27.795,90 118.651,91 39.123,92 0.773,93 3.224,94 74.453,95 27.387,96 109.793,97 38.739,98 0.737,99 2.993,100 69.463,101 25.59,102 94.193,103 35.957,104 50,105 70,106 0.194,107 0.482,108 0.678,109 0.823,110 0.876,111 0.902,112 3.991,113 1.038,114 -5.93,115 -5.79,116 -5.39,118 40,120 16,121 1,124 2,126 1,127 1,133 3,134 1,140 10,141 3,142 2,143 2,154 2,163 2,167 2,168 30,169 2,171 1,172 12,175 2,177 4,180 31,181 2,186 12,191 4,194 29,195 2,198 13,201 1,203 4,206 30,207 2,210 13,215 3,218 31,219 2,222 14,225 1,227 4,229 30,230 2,234 11,239 4,242 28,243 2,246 1,247 8,248 2,252 4,255 26,256 4,258 2,259 8,260 1,262 2,264 6,267 24,268 4,270 8199,271 36.227,272 36.227,273 36.227,274 36.227,275 36.227,276 33.141,277 26.047,278 22.957,279 36.56,280 27.763,281 27.763,282 27.763,283 27.763,284 27.763,285 23.299,286 23.31,287 11.09,288 28.325,289 5.424,290 3.417,291 2.047,292 1.04,293 0.672,294 0.486,295 4.687,301 2883,302 5.831,306 925.228,313 3.667,314 55.302,317 0.5,318 0.33,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.65,325 114.5,326 1376,327 4.38,328 3.597,329 6.671,330 4.088,331 3.118,332 3.968,333 2.341,334 10.746,335 3.019,336 4.322,337 3.596,338 6.5,339 4.013,340 3.016,341 3.853,342 2.341,343 10.18,344 3.008,345 3.909,346 3.521,347 5.708,348 3.527,349 2.555,350 3.471,351 1.465,352 7.609,353 2.481,354 3.726,355 3.051,356 5.414,357 3.477,358 2.522,359 2.922,360 0.86,361 7.106,362 2.412,363 3.558,364 2.972,365 5.251,366 3.264,367 2.265,368 2.835,369 0.811,370 6.613,371 2.256,372 3.552,373 2.835,374 5.134,375 3.24,376 2.235,377 2.719,379 6.126,380 2.222,381 3.535,382 2.515,383 4.659,384 3.224,385 2.222,386 2.71,388 5.184,389 2.209,390 3.311,391 2.214,392 4.659,393 3.098,394 2.132,395 2.341,397 5.183,398 2.05,399 3.09,400 2.157,401 4.542,402 2.906,403 1.908,404 2.234,406 4.438,407 1.903,408 3.063,409 1.976,410 4.158,411 2.71,412 1.724,413 2.173,415 3.894,416 1.696,417 2.909,418 1.943,419 3.926,420 2.68,421 1.698,422 2.015,424 3.818,425 1.664,426 2.867,427 1.908,428 3.825,429 2.636,430 1.645,431 1.916,433 3.398,434 1.627,435 2.8,436 1.75,437 3.721,438 2.469,439 1.488,440 1.847,442 3.19,443 1.454,444 2.756,445 1.555,446 3.636,447 2.446,448 1.472,449 1.796,451 3.12,452 1.429,453 2.676,454 1.535,455 3.632,456 2.391,457 1.414,458 1.677,460 3.032,461 1.374,462 25.067,463 0.473,464 0.856,465 0.016,466 55.75,467 1.052,468 24.5,469 0.462,470 31.25,471 0.59,472 63.694,473 1.202,474 60.733,475 0.552,476 47.537,477 0.897,478 10.33,479 0.195,480 15.572,481 0.294,482 0.066,484 0.219,487 0.835,488 1.238,489 0.931,490 1.194,491 0.765,492 1.095,493 0.765,494 1.237,495 1.046,496 1.234,497 0.478,498 1.191,499 0.992,500 0.993,501 0.969,502 0.992,503 0.831,504 0.98,505 1.055,506 0.963,507 1.019,508 0.967,509 0.792,510 0.986,511 0.858,512 1.044,513 0.982,514 1.04,515 0.669,516 1.034,517 0.86,518 1.042,519 1.018,520 1.044,521 0.705,522 1.053,523 0.899,524 0.986,525 1.001,526 0.995,527 0.681,528 1.011,529 0.907,530 0.993,531 0.974,532 1.007,533 0.693,534 1.003,535 7,536 0.31,537 4,538 2.25,539 1.729,540 1.104,541 0.785,542 0.54,543 0.489,544 0.375,545 75020,546 192003,547 2.038,548 51.8,549 24,550 18,551 1,552 2,553 3,554 4,555 2,556 3,558 1.857,559 1.951,560 4.559,561 0.57,567 149.26,568 1.357,569 3.364,570 4.734,571 5.741,572 6.109,573 6.295,574 3.956,575 5.171,576 5.703,577 4.838,578 6666.1,579 10.105,580 175591,585 745.95,586 1.154,587 5.68,588 0.125,589 0.005,590 0.057,591 0.031,592 0.024,593 0.015,594 0.011,595 0.008,596 0.008,597 0.006,598 0.291,599 0.17,600 0.63,601 1.5,602 342.826,603 -0.042,604 -0.014,605 0.024,606 0.008,607 -0.041,608 0.024,609 0.121,610 -0.117,611 -0.075,612 -0.129,613 0.175,614 -0.132,615 -0.062,616 0.011,617 0.011,618 0.022,619 -0.044,620 0.027,621 -0.058,622 0.032,623 -0.029,624 0.036,625 -0.029,626 0.012,627 -0.046,628 -0.03,629 -0.02,630 -0.017,631 -0.024,632 -0.015,633 -0.022,634 -0.038,635 -0.05,636 -0.04,637 -0.017,638 -0.048,639 -0.058,640 -0.006,641 -0.032,642 -0.009,643 -0.042,644 -0.015,645 -0.025,646 -0.014,647 0.001,648 -0.017,649 -0.025,650 -0.006,651 2.471,652 4.532,653 0.453,654 105.179,655 0.995,656 1.125,657 4.704,658 22.131,659 0.636,660 4.043,661 4.263,662 4.443,663 4.644,664 4.852,665 4.875,666 4.984,667 5.069,668 5.094,669 5.081,670 15.042,671 0.595,672 728.02,673 4.043,674 5.533,675 6.33,676 7.155,677 7.976,678 8.815,679 9.651,680 10.499,681 11.346,682 12.2,683 0.9,693 1,699 12,700 1,704 5,706 18,721 1,722 1,724 110,726 22,727 2,728 56,730 113,731 44,733 17,734 4,735 8,736 2,739 4,740 4,748 1,749 1,751 17,753 23,754 21,755 1,756 4,761 2,763 3,765 3,772 57,773 9,774 3,775 9,779 1,784 1,785 8,795 1,802 4,818 2,822 3,823 1,830 2,831 2,832 4,840 53,845 3,846 18,848 3,850 3,862 7.3,864 3,865 2,866 2,867 1,869 27.167,870 18.633,871 12.222,872 7.263,874 2.734,875 1.322,876 0.909,877 19.388,878 11.233,879 4.248,880 4.677,881 5.086,882 5.543,883 6.019,884 6.101,885 6.426,886 6.671,887 6.85,888 6.997,889 0.941,890 72,891 19.735,893 8.131,894 7.761,895 38.26,897 30.962,899 2.261,900 119.833,904 635.64,905 211.188,906 16.786,908 211.34,911 211.188,912 846.979,913 16.786,915 49.737,916 123.551,917 242.487,918 47.08,919 11.771,920 600.326,922 635.64,923 227.974,924 211.34,927 576.784,928 248.195,929 22,930 0.36,931 67.832,932 114.568,933 45.214,935 635.64,936 228.125,937 211.188,940 635.999,941 69.543,942 141.286,944 228.125,945 635.64,946 228.125,947 211.188,949 0.551,950 0.297,951 0.158,952 0.088,953 23,954 11,955 0.221,956 25,958 1,959 6.406,960 497.987,962 24,963 299.58,968 41.944,969 24.499,970 15.992,972 228.125,973 23.089,974 4.282,978 3.984,980 128.05,981 1074.95,982 69,987 21.628,989 6.069,991 -0.46,994 109.461,995 123.799,996 0.2,997 0.496,998 0.698,999 0.847,1000 0.901,1001 0.928,1002 5.445,1003 2.132,1004 6.244,1005 5.184,1006 4.949,1007 5.366,1008 3.227,1009 6.94,1010 4.908,1011 6.565,1012 1.908,1013 7.723,1014 5.183,1015 4.205,1016 4.808,1017 2.882,1018 7.662,1019 4.142,1020 7.804,1021 1.724,1022 9.31,1023 4.438,1024 6.412,1025 7.323,1026 4.448,1027 10.78,1028 6.333,1029 9.076,1030 1.698,1031 10.971,1032 3.894,1033 6.567,1034 7.644,1035 4.797,1036 12.477,1037 6.461,1038 10.386,1039 1.645,1040 12.685,1041 3.818,1042 8.163,1043 9.604,1044 5.949,1045 15.09,1046 8.044,1047 11.723,1048 1.488,1049 14.438,1050 3.398,1051 8.786,1052 10.372,1053 6.581,1054 17.18,1055 8.64,1056 13.082,1057 1.472,1058 16.22,1059 3.19,1060 10.105,1061 12.07,1062 7.564,1063 19.626,1064 9.945,1065 3.118,1066 1.414,1067 18.024,1068 3.12,1069 10.977,1070 13.086,1071 8.318,1072 21.873,1073 10.792,1074 3.016,1075 10.746,1076 19.844,1077 3.032,1078 12.173,1079 14.642,1080 9.228,1081 24.261,1082 11.972,1083 2.555,1084 10.18,1085 21.678,1086 3.968,1087 13.172,1088 15.8,1089 10.035,1090 26.572,1091 12.948,1092 2.522,1093 7.609,1094 23.522,1095 3.853,1096 14.317,1097 17.275,1098 10.912,1099 28.941,1100 14.075,1101 2.265,1102 7.106,1103 25.374,1104 3.471,1105 15.378,1106 18.517,1107 11.744,1108 31.278,1109 15.115,1110 2.235,1111 6.613,1112 27.233,1113 2.922,1114 16.505,1115 19.945,1116 12.606,1117 33.64,1118 16.222,1119 2.222,1120 6.126,1121 29.097,1122 2.835,1123 17.597,1124 21.236,1125 13.448,1126 35.989,1127 17.293,1128 72520,1129 116272,1130 37.731,1131 69.961,1132 80.13,1133 81.187,1134 80.783,1135 79.337,1136 79.279,1137 96.715,1138 15.636,1139 203.706,1140 77.557,1141 5.38,1142 5.597,1143 6.607,1144 5.16,1145 5.118,1146 6.968,1147 3.925,1148 17.818,1149 5.019,1150 25.851,1151 1.431,1152 1.45,1153 1.443,1154 1.417,1155 1.416,1156 1.727,1157 0.279,1158 3.638,1159 1.385,1160 4.032,1161 4.06,1162 3.968,1163 3.958,1164 7.477,1165 3.956,1166 3.963,1167 3.986,1168 3.903,1169 3.883,1170 7.472,1171 3.883,1172 3.818,1173 3.869,1174 3.741,1175 3.711,1176 6.469,1177 3.712,1178 3.798,1179 3.834,1180 3.689,1181 3.697,1182 6.352,1183 3.685,1184 3.761,1185 3.805,1186 3.625,1187 3.654,1188 6.35,1189 3.641,1190 3.724,1191 3.774,1192 3.599,1193 3.586,1194 4.938,1195 3.577,1196 3.693,1197 3.74,1198 3.569,1199 3.543,1200 4.825,1201 3.536,1202 3.603,1203 3.652,1204 3.457,1205 3.449,1206 4.807,1207 3.445,1208 0.078,1209 0.064,1210 0.119,1211 0.073,1212 0.056,1213 4.38,1214 0.071,1215 3.597,1216 0.042,1217 6.671,1218 0.192,1219 4.088,1220 0.054,1221 3.118,1222 3.968,1223 2.341,1224 10.746,1225 3.019,1226 1.973,1227 1.951,1228 2.079,1229 2.058,1230 1.432,1231 2.062,1232 1.935,1233 1.914,1234 2.07,1235 2.054,1236 1.369,1237 2.058,1238 1.819,1239 1.768,1240 2.049,1241 1.97,1242 1.326,1243 2.001,1244 1.783,1245 1.746,1246 1.959,1247 1.914,1248 1.291,1249 1.926,1250 1.766,1251 1.724,1252 1.949,1253 1.9,1254 1.151,1255 1.916,1256 1.717,1257 1.665,1258 1.936,1259 1.886,1260 1.143,1261 1.901,1262 1.686,1263 1.632,1264 1.892,1265 1.855,1266 1.089,1267 1.875,1268 1.586,1269 1.54,1270 1.813,1271 1.779,1272 1.013,1273 1.792,1274 4.727,1276 5.974,1278 7.401,1280 8.922,1282 10.503,1289 28.31,1290 14.941,1292 18.524,1294 -0.534,1300 65.49,1301 149.26,1302 370.068,1303 520.732,1304 631.527,1305 671.975,1306 692.44,1307 170.073,1308 8.499,1309 135.41,1310 135.41,1311 24,1312 12.757,1313 4.524,1314 3.807,1315 116.215,1316 501,1317 413,1318 0.108,1319 403.968,1320 734.62,1321 977.442,1322 88674,1324 37.514,1325 0.708,1326 0.584,1327 37.514,1328 30.95,1329 25.902,1330 0.463,1331 0.346,1332 19.185,1333 25.087,1334 18.856,1335 15.658,1336 25.902,1337 19.377,1338 21.694,1339 0.31,1340 0.197,1341 21.694,1342 13.767,1343 16.537,1344 0.197,1345 0.113,1346 16.537,1347 9.53,1348 13.157,1349 0.128,1350 0.064,1351 13.157,1352 6.612,1353 10.619,1354 0.084,1355 0.036,1356 10.619,1357 4.631,1358 0.186,1359 161.431,1360 0.163,1361 47.325,1362 0.26,1363 252,1364 728.772,1365 275.862,1366 686.948,1367 907.64,1368 642,1369 280,1370 626.931,1371 300.435,1372 627.983,1373 907.47,1374 593,1375 7.398} {0 CHEMBL45075,1 1.835,2 11.656,3 3.021,4 9.129,5 118.96,6 8.614,7 0.6,8 4.094,9 4.188,10 3.901,11 3.655,12 5.271,13 3.64,14 4.62,15 4.762,16 4.217,17 4.045,18 6.032,19 4.02,20 4.85,21 5.016,22 4.24,23 4.189,24 6.066,25 4.127,26 4.965,27 5.148,28 4.229,29 4.24,30 6.166,31 4.157,32 4.989,33 5.193,34 4.25,35 4.241,36 6.114,37 4.169,38 5.016,39 5.222,40 4.299,41 4.236,42 6.35,43 4.167,44 4.987,45 5.206,46 4.153,47 4.141,48 6.161,49 4.061,50 4.872,51 5.081,52 4.065,53 4.015,54 6.103,55 3.925,56 0.178,57 0.884,58 11.162,59 5.034,60 25.596,61 5.337,62 0.579,63 1.406,64 18.938,65 8.135,66 76.746,67 9.259,68 0.633,69 1.689,70 27.35,71 10.964,72 76.974,73 11.876,74 0.792,75 1.778,76 33.426,77 12.595,78 88.985,79 14.205,80 0.717,81 1.753,82 33.88,83 12.735,84 102.828,85 15.425,86 0.919,87 1.83,88 32.72,89 12.516,90 126.311,91 15.894,92 0.88,93 1.69,94 36.131,95 11.988,96 101.381,97 14.59,98 0.919,99 1.509,100 35.977,101 11.547,102 108.58,103 13.102,104 40,105 51,106 0.3,107 0.673,108 0.824,109 0.872,110 0.872,111 0.872,112 3.503,113 0.969,114 -3.43,115 -3.41,116 -3.26,118 41.5,119 1,120 1,124 2,140 7,141 2,142 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 2,172 7,175 3,177 3,180 6,186 7,187 1,191 4,194 6,197 2,198 11,201 1,203 3,206 7,210 6,213 1,218 7,219 4,221 1,222 10,225 1,227 5,229 8,230 2,233 2,234 3,235 1,239 3,242 6,246 3,247 6,250 2,253 1,255 2,259 6,260 1,262 1,263 1,267 2,270 1872,271 21.04,272 21.04,273 21.04,274 21.04,275 21.04,276 17.97,277 21.126,278 12.21,279 21.562,280 17.271,281 17.271,282 17.271,283 17.271,284 17.271,285 12.6,286 21.142,287 5.835,288 18.158,289 3.893,290 1.611,291 0.687,292 0.392,293 0.392,294 0.392,295 4.191,299 1,300 1,301 797,302 4.183,305 162.477,306 200.24,309 137.754,313 1.74,314 49.922,317 1,318 0.83,319 1,320 0.6,322 1,323 1,324 0.78,325 71.5,326 373,327 4.86,328 4.686,329 7.308,330 4.335,331 3.401,332 4.744,333 2.341,334 12.511,335 3.24,336 4.752,337 3.603,338 7.015,339 4.278,340 3.325,341 4.687,342 0.522,343 11.972,344 3.079,345 3.939,346 3.451,347 5.766,348 3.49,349 2.562,350 3.496,352 7.753,353 2.405,354 3.864,355 2.876,356 5.685,357 3.429,358 2.472,359 3.414,361 7.52,362 2.34,363 3.775,364 2.719,365 5.297,366 3.314,367 2.358,368 3.268,370 6.49,371 2.246,372 3.564,373 2.587,374 5.263,375 3.212,376 2.223,377 2.857,379 6.388,380 2.17,381 3.436,382 2.21,383 5.062,384 2.994,385 2.025,386 2.687,388 5.983,389 1.949,390 3.245,391 2.067,392 4.646,393 2.834,394 1.867,395 2.506,397 5.097,398 1.798,399 3.05,400 1.695,401 4.619,402 2.524,403 1.551,404 2.253,406 4.546,407 1.494,408 2.638,409 1.379,410 3.852,411 2.169,412 1.229,413 1.691,415 2.879,416 1.154,417 2.5,418 1.283,419 3.571,420 2.033,421 1.058,422 1.5,424 2.549,425 1.026,426 2.432,427 1,428 3.414,429 2,430 1,431 1.401,433 2.275,434 1,435 2.118,436 0.92,437 3.247,438 1.6,439 0.621,440 0.927,442 1.496,443 0.604,444 1.845,445 0.711,446 3.214,447 1.553,448 0.618,449 0.726,451 1.372,452 0.577,453 1.443,454 0.638,455 3,456 1.148,457 0.182,458 0.217,460 0.477,461 0.175,462 15.052,463 0.47,464 1.016,465 0.032,466 44,467 1.375,468 23,469 0.719,470 21,471 0.656,472 26.063,473 0.814,474 34.748,475 0.656,476 37.431,477 1.17,478 8.786,479 0.275,480 6.456,481 0.202,482 0.141,483 0.055,484 0.319,486 1,487 0.622,488 1.256,489 0.765,490 1.199,491 0.643,492 0.92,493 0.591,494 1.012,495 0.806,496 0.919,497 0.468,498 0.881,499 1.04,500 1.063,501 1.118,502 1.051,503 0.934,504 1.056,505 0.909,506 0.968,507 1.199,508 1.135,509 0.879,510 1.142,511 0.74,512 0.856,513 0.825,514 0.948,515 0.773,516 0.974,517 0.568,518 0.886,519 0.739,520 0.968,521 0.534,522 1.026,523 0.908,524 0.85,525 0.992,526 0.949,527 0.863,528 0.985,529 0.987,530 0.872,531 1.236,532 1.06,533 1.055,534 0.992,535 8,536 0.263,537 4.222,538 3.146,539 1.836,540 1.559,541 0.959,542 0.67,543 0.541,544 0.336,545 13287,546 46634,547 2.037,548 39.6,550 11,551 1,552 2,553 2,554 5,558 1.75,559 1.873,560 3.485,561 0.27,563 1,567 97.234,568 1.835,569 4.117,570 5.041,571 5.336,572 5.336,573 5.336,574 2.945,575 4.5,576 4.966,577 3.661,578 1816.1,579 8.722,580 26164.8,585 303.58,586 1.646,587 4.907,588 0.229,589 0.008,590 0.083,591 0.063,592 0.037,593 0.031,594 0.018,595 0.015,596 0.014,597 0.009,598 0.507,599 0.33,600 1,601 1.078,602 166.729,603 -0.005,604 -0.181,605 0.167,606 -0.082,607 -0.104,608 0.015,609 0.153,610 0.018,611 0.05,612 0.055,613 0.207,614 0.038,615 -0.187,616 -0.036,617 -0.153,618 -0.024,619 -0.1,620 -0.093,621 -0.091,622 -0.027,623 -0.196,624 -0.103,625 -0.062,626 -0.154,627 -0.028,628 -0.041,629 0.072,630 0.002,631 -0.051,632 0.042,633 0.19,634 0.001,635 0.124,636 -0.051,637 0.184,638 -0.023,639 -0.067,640 -0.003,641 -0.005,642 0.007,643 -0.07,644 0.016,645 -0.031,646 -0.009,647 -0.065,648 0.01,649 -0.089,650 0.02,651 4.819,652 5.723,653 0.625,654 34.875,655 1.024,656 1.129,657 2.196,658 4.823,659 0.685,660 3.584,661 3.951,662 4.205,663 4.489,664 4.71,665 4.875,666 5.037,667 5.204,668 5.278,669 5.333,670 6.915,671 0.665,672 456.54,673 3.584,674 5.153,675 6.009,676 6.911,677 7.793,678 8.703,679 9.598,680 10.514,681 11.416,682 12.336,683 7.5,688 1,691 2,693 1,698 2,699 10,700 1,704 5,705 2,706 21,723 1,724 53,726 24,727 2,728 35,730 56,731 22,733 17,734 5,735 7,739 4,740 5,745 1,751 1,753 18,754 4,756 3,760 1,761 3,765 1,769 1,770 1,772 21,773 7,774 2,775 10,776 1,778 1,779 4,784 0.75,785 4,797 1,801 2,802 2,805 1,818 1,830 1,832 3,834 1,836 1,838 1,840 32,844 1,845 1,846 3,847 1,861 1,862 7.5,864 1,865 3,869 17.083,870 9.693,871 6.847,872 2.944,874 3.552,875 1.454,876 0.995,877 6.156,878 11.381,879 3.902,880 4.585,881 5.139,882 5.759,883 6.258,884 6.659,885 7.114,886 7.549,887 7.824,888 8.144,889 0.875,890 50,891 12.155,893 5.6,894 8.164,895 21.989,897 18.36,899 2.664,900 85.25,903 1,904 223.651,905 139.424,906 36.989,908 112.141,909 14.96,910 5.807,911 133.616,912 335.792,913 51.949,914 8.825,915 6.746,916 81.189,917 178.402,918 32.033,919 31.632,920 188.338,922 223.651,923 170.605,924 127.101,925 5.807,927 238.611,928 112.141,931 37.035,932 100.379,933 38.998,935 238.611,936 149.13,937 139.424,939 5.807,940 223.651,941 31.744,942 105.671,943 16.405,944 143.887,945 223.651,946 164.09,947 139.424,949 0.593,950 0.332,951 0.174,952 0.097,953 25,954 12,955 0.143,956 8,957 1,958 1.1,959 4.179,960 299.582,961 0.1,962 20,963 154,967 1,968 22.216,969 8.867,970 4.781,971 1.615,972 160.292,973 14.876,974 4.06,978 1.615,979 3.812,980 59.088,981 527.165,982 48.5,986 -3.903,987 36.571,991 -0.897,994 54.258,995 59.827,996 0.32,997 0.719,998 0.88,999 0.932,1000 0.932,1001 0.932,1002 5.155,1003 1.867,1004 6.043,1005 5.983,1006 4.635,1007 5.273,1008 2.313,1009 6.915,1010 4.538,1011 6.42,1012 1.551,1013 7.647,1014 5.097,1015 4.443,1016 5.394,1017 2.243,1018 8.109,1019 4.259,1020 7.783,1021 1.229,1022 9.363,1023 4.546,1024 6.326,1025 7.635,1026 3.632,1027 11.181,1028 6.117,1029 9.187,1030 1.058,1031 11.148,1032 2.879,1033 6.938,1034 8.574,1035 4.112,1036 13.219,1037 6.632,1038 10.627,1039 1,1040 12.98,1041 2.549,1042 8.359,1043 10.352,1044 5.202,1045 15.893,1046 8.023,1047 12.094,1048 0.621,1049 14.844,1050 2.275,1051 9.319,1052 11.644,1053 5.889,1054 18.241,1055 8.894,1056 13.581,1057 0.618,1058 16.734,1059 1.496,1060 10.588,1061 13.267,1062 6.849,1063 20.802,1064 10.124,1065 3.401,1066 0.182,1067 18.643,1068 1.372,1069 11.697,1070 14.71,1071 7.625,1072 23.257,1073 11.156,1074 3.325,1075 12.511,1076 20.566,1077 0.477,1078 12.921,1079 16.283,1080 8.526,1081 25.783,1082 12.331,1083 2.562,1084 11.972,1085 22.501,1086 4.744,1087 14.091,1088 17.788,1089 9.342,1090 28.274,1091 13.434,1092 2.472,1093 7.753,1094 24.445,1095 4.687,1096 15.303,1097 19.344,1098 10.216,1099 30.79,1100 14.594,1101 2.358,1102 7.52,1103 26.397,1104 3.496,1105 16.498,1106 20.876,1107 11.051,1108 33.294,1109 15.728,1110 2.223,1111 6.49,1112 28.353,1113 3.414,1114 17.709,1115 22.428,1116 11.912,1117 35.807,1118 16.885,1119 2.025,1120 6.388,1121 30.314,1122 3.268,1123 18.915,1124 23.97,1125 12.755,1126 38.316,1127 18.033,1128 12851,1129 24247,1130 22.77,1131 36.279,1132 53.353,1133 54.864,1134 54.488,1135 53.113,1136 52.984,1137 72.747,1138 5.725,1139 158.617,1140 50.513,1141 5.693,1142 6.686,1143 6.921,1144 5.397,1145 5.401,1146 7.744,1147 3.925,1148 19.889,1149 5.24,1150 18.355,1151 1.524,1152 1.568,1153 1.557,1154 1.518,1155 1.514,1156 2.078,1157 0.164,1158 4.532,1159 1.443,1160 4.192,1161 4.22,1162 4.737,1163 4.121,1164 8.201,1165 4.106,1166 4.04,1167 4.025,1168 4.128,1169 4.007,1170 7.717,1171 3.944,1172 3.877,1173 3.943,1174 3.821,1175 3.673,1176 7.474,1177 3.701,1178 3.682,1179 3.707,1180 3.724,1181 3.56,1182 6.999,1183 3.531,1184 3.583,1185 3.587,1186 3.528,1187 3.426,1188 6.351,1189 3.409,1190 3.415,1191 3.439,1192 3.359,1193 3.293,1194 4.978,1195 3.283,1196 3.099,1197 3.155,1198 2.991,1199 2.9,1200 4.866,1201 2.908,1202 3.001,1203 3.086,1204 2.763,1205 2.78,1206 4.583,1207 2.767,1208 0.139,1209 0.134,1210 0.209,1211 0.124,1212 0.097,1213 4.86,1214 0.136,1215 4.686,1216 0.067,1217 7.308,1218 0.357,1219 4.335,1220 0.093,1221 3.401,1222 4.744,1223 2.341,1224 12.511,1225 3.24,1226 1.989,1227 1.989,1228 2.031,1229 2.073,1230 1.242,1231 2.093,1232 1.905,1233 1.892,1234 1.959,1235 1.989,1236 1.178,1237 2,1238 1.76,1239 1.708,1240 1.916,1241 1.94,1242 1.136,1243 1.936,1244 1.551,1245 1.512,1246 1.734,1247 1.771,1248 0.932,1249 1.763,1250 1.406,1251 1.429,1252 1.626,1253 1.616,1254 0.737,1255 1.615,1256 1.385,1257 1.33,1258 1.473,1259 1.567,1260 0.556,1261 1.597,1262 1.283,1263 1.211,1264 1.25,1265 1.523,1266 0.449,1267 1.511,1268 0.99,1269 0.954,1270 1.229,1271 1.267,1272 0.3,1273 1.25,1274 4.263,1276 5.617,1277 3.045,1278 7.148,1279 5.416,1280 8.763,1281 7.535,1282 10.43,1284 1.913,1286 13.168,1289 9.123,1290 0.757,1291 2.538,1300 35.256,1301 97.234,1302 218.18,1303 267.173,1304 282.825,1305 282.825,1306 282.825,1307 79.728,1308 7.83,1309 106.22,1310 114.6,1311 22,1312 12.848,1313 4.644,1314 3.858,1315 51.589,1316 129,1317 150,1318 0.192,1319 218.446,1320 373.46,1321 524.767,1322 25821,1323 1.9,1324 22.88,1325 0.715,1326 0.563,1327 22.26,1328 18.011,1329 15.242,1330 0.435,1331 0.323,1332 9.782,1333 13.768,1334 9.444,1335 7.787,1336 15.669,1337 11.304,1338 14.7,1339 0.288,1340 0.178,1341 15.379,1342 9.068,1343 11.608,1344 0.176,1345 0.101,1346 12.301,1347 6.677,1348 9.602,1349 0.109,1350 0.054,1351 10.485,1352 4.75,1353 7.501,1354 0.068,1355 0.03,1356 8.181,1357 3.283,1358 0.298,1359 104.715,1360 0.21,1361 29.656,1362 0.54,1363 172,1364 617.596,1365 229.44,1366 588.421,1367 779.15,1368 540,1369 203,1370 533.554,1371 267.152,1372 569.102,1373 825.75,1374 532,1375 7.721} {0 CHEMBL45294,1 1.233,2 8.188,3 4.111,4 16.896,5 67.399,6 6.01,7 0.588,8 3.628,9 3.775,10 3.021,11 3.167,12 4.526,13 3.094,14 4.196,15 4.419,16 3.274,17 3.54,18 4.973,19 3.419,20 4.441,21 4.73,22 3.194,23 3.623,24 5.092,25 3.449,26 4.415,27 4.708,28 3.069,29 3.561,30 5.067,31 3.366,32 4.34,33 4.652,34 2.781,35 3.411,36 4.937,37 3.181,38 4.176,39 4.495,40 2.658,41 3.244,42 4.755,43 3.02,44 4.008,45 4.317,46 2.556,47 3.102,48 4.625,49 2.892,50 3.844,51 4.148,52 2.444,53 2.952,54 4.498,55 2.753,56 0.044,57 0.512,58 8.819,59 3.473,60 6.82,61 5.179,62 0.121,63 0.818,64 15.315,65 5.762,66 10.799,67 8.663,68 0.12,69 0.926,70 18.802,71 7.179,72 13.147,73 10.805,74 0.114,75 0.886,76 18.226,77 6.991,78 13.642,79 10.512,80 0.114,81 0.787,82 16.743,83 6.311,84 12.399,85 9.539,86 0.093,87 0.66,88 14.101,89 5.365,90 9.913,91 8.086,92 0.082,93 0.567,94 11.98,95 4.472,96 8.964,97 6.786,98 0.073,99 0.487,100 10.205,101 3.709,102 8.358,103 5.682,104 8,105 21,106 0.229,107 0.513,108 0.704,109 0.823,110 0.872,111 0.872,112 2.85,113 1.114,114 -5.24,115 -5.13,116 -4.8,118 38.9,119 1,120 6,140 3,143 1,150 2,156 1,168 8,171 1,172 3,180 7,186 3,194 6,198 4,206 6,210 2,218 5,222 2,229 4,234 2,242 3,247 2,255 3,259 1,267 2,270 292,271 11.251,272 11.251,273 11.251,274 11.251,275 11.251,276 10.094,277 3.638,278 7.225,279 11.414,280 8.397,281 8.397,282 8.397,283 8.397,284 8.397,285 6.684,286 1.471,287 3.403,288 8.674,289 3.937,290 2.405,291 1.375,292 0.73,293 0.465,294 0.465,295 3.51,299 1,300 1,301 276,302 2.739,305 32.131,306 41.33,309 61.614,313 1.313,314 4.128,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 131,327 4.509,328 3.117,329 6.512,330 3.986,331 3.045,332 4.457,334 10.214,335 2.865,336 3.5,337 2.292,338 5.203,339 3.12,340 2.14,341 2.877,343 6.251,344 2.097,345 3.048,346 1.786,347 4.139,348 2.78,349 1.783,350 2.321,352 3.729,353 1.777,354 2.813,355 1.548,356 3.795,357 2.516,358 1.548,359 1.818,361 3.516,362 1.495,363 2.5,364 1.298,365 3.436,366 2.285,367 1.29,368 1.5,370 2.524,371 1.283,372 2.367,373 1,374 3.358,375 1.923,376 1,377 1.358,379 2.23,380 0.921,381 2.044,382 0.836,383 3.065,384 1.729,385 0.753,386 0.921,388 1.614,389 0.733,390 1.57,391 0.405,392 2.605,393 1.383,394 0.402,395 0.468,397 0.762,398 0.394,399 1.024,400 -0.084,401 2.3,402 0.822,403 -0.172,404 -0.193,406 -0.317,407 -0.171,408 0.599,409 -0.589,410 1.917,411 0.365,412 -0.623,413 -0.735,415 -1.26,416 -0.614,417 0.5,418 -1,419 1.649,420 -0.047,421 -1,422 -1.248,424 -2.222,425 -0.946,426 -0.003,427 -1.082,428 1.496,429 -0.136,430 -1.124,431 -1.5,433 -2.431,434 -1.112,435 -0.115,436 -1.475,437 1.06,438 -0.595,439 -1.567,440 -1.737,442 -3.401,443 -1.479,444 -0.365,445 -1.617,446 0.565,447 -0.691,448 -1.648,449 -2.046,451 -4.419,452 -1.606,453 -0.5,454 -1.84,455 0.467,456 -0.886,457 -1.854,458 -2.421,460 -4.766,461 -1.761,462 7.8,463 0.488,464 0.171,465 0.011,466 17.75,467 1.109,468 8,469 0.5,470 9.75,471 0.609,472 12.917,473 0.807,474 18,475 0.5,476 8.397,477 0.525,478 2.947,479 0.184,480 4.968,481 0.31,482 0.064,484 0.179,487 0.934,488 1.487,489 1.019,490 1.254,491 0.774,492 1.162,493 1.017,494 1.22,495 1.071,496 1.151,497 0.834,498 1.121,499 0.927,500 0.936,501 0.916,502 0.923,503 0.637,504 0.92,505 0.872,506 1.019,507 0.973,508 1.015,509 0.835,510 1.003,511 1.012,512 0.943,513 1.039,514 1,515 1.135,516 1.018,517 0.873,518 0.884,519 0.926,520 0.917,521 0.939,522 0.924,523 1,524 0.925,525 0.973,526 0.945,527 1.078,528 0.955,529 1.138,530 0.945,531 1,532 0.945,533 1.154,534 0.96,535 1.5,536 0.032,537 1.333,538 0.563,539 0.373,540 0.17,541 0.116,542 0.084,543 0.064,544 0.05,545 2102,546 3624,547 2.066,548 55.6,549 13,550 3,552 2,554 2,558 1.543,559 2,560 3,561 -0.856,563 1,567 44.376,568 1.233,569 2.765,570 3.795,571 4.44,572 4.705,573 4.705,574 2.453,575 4,576 3.965,577 3.153,578 378.324,579 6.645,580 3362.55,582 1,584 1,585 186.117,586 1.014,587 3.962,588 0.088,589 0.011,590 0.063,591 0.03,592 0.023,593 0.015,594 0.012,595 0.009,596 0.008,597 0.008,598 0.268,599 0.67,600 1,601 2,602 65.979,603 0.116,604 -0.232,605 0.062,606 -0.085,607 0.223,608 -0.027,609 0.149,610 -0.094,611 -0.034,612 -0.1,613 0.115,614 -0.083,615 -0.008,616 0.038,617 0.055,618 0.06,619 0.141,620 0.062,621 -0.004,622 -0.063,623 -0.011,624 -0.037,625 0.061,626 -0.027,627 -0.097,628 -0.019,629 -0.089,630 -0.055,631 -0.172,632 -0.069,633 -0.021,634 0.02,635 0.016,636 0.025,637 -0.066,638 0.024,639 -0.054,640 0.005,641 -0.018,643 -0.121,644 -0.005,645 -0.08,646 0.005,647 -0.032,648 -0.005,649 -0.109,650 -0.013,651 0.467,652 1.183,653 0.563,654 10.906,655 0.977,656 1.131,657 4.014,658 16.112,659 0.635,660 2.89,661 3.091,662 3.332,663 3.555,664 3.611,665 3.584,666 3.584,667 3.584,668 3.258,669 3.135,670 4.918,671 0.577,672 216.36,673 2.89,674 4.344,675 5.153,676 5.984,677 6.821,678 7.669,679 8.519,680 9.377,681 10.234,682 11.097,683 5.6,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 36,726 10,728 17,730 37,731 14,733 7,739 2,740 3,745 1,751 6,753 7,754 7,769 1,772 20,773 1,775 2,778 1,779 2,784 0.5,795 1,801 1,802 1,805 1,832 1,836 1,840 16,846 6,869 8,870 6.567,871 3.806,872 2.647,874 2.063,875 1.352,876 0.956,877 4.119,878 7.932,879 3.135,880 3.67,881 4.292,882 4.902,883 5.295,884 5.543,885 5.828,886 6.109,887 5.488,888 5.46,889 1,890 19,891 5.927,893 2.344,894 7.333,895 11.975,897 9.598,899 1.833,900 29.333,901 0.009,904 235.422,905 75.028,906 18.072,911 75.028,912 235.422,913 18.072,914 8.825,915 15.207,916 28.429,917 48.946,918 10.334,919 4.901,920 211.88,922 235.422,923 93.1,927 235.422,931 42.985,932 33.33,933 16.786,935 235.422,936 18.072,937 75.028,940 235.422,941 20.108,942 56.206,944 16.786,945 235.422,946 18.072,947 75.028,949 0.538,950 0.31,951 0.172,952 0.082,953 9,954 3,955 0.162,956 6,957 1,958 1.222,959 2.997,960 98.385,961 0.222,962 9,963 64,968 11.346,969 5.809,970 2.932,971 1.2,972 16.786,973 10.262,974 4.183,978 1.381,981 328.522,982 22,994 35.156,995 40.733,996 0.238,997 0.535,998 0.734,999 0.859,1000 0.91,1001 0.91,1002 4.284,1003 0.402,1004 5.056,1005 1.614,1006 3.761,1007 4.35,1009 5.784,1010 3.691,1011 5.428,1012 -0.172,1013 6.547,1014 0.762,1015 2.944,1016 4.007,1018 6.581,1019 2.783,1020 6.697,1021 -0.623,1022 8.157,1023 -0.317,1024 5.231,1025 6.59,1027 9.728,1028 5.064,1029 8.022,1030 -1,1031 9.849,1032 -1.26,1033 5.442,1034 7.302,1036 11.504,1037 5.148,1038 9.397,1039 -1.124,1040 11.595,1041 -2.222,1042 7.045,1043 9.229,1045 14.107,1046 6.749,1047 10.807,1048 -1.567,1049 13.379,1050 -2.431,1051 7.757,1052 10.393,1054 16.225,1055 7.338,1056 12.244,1057 -1.648,1058 15.188,1059 -3.401,1060 9.07,1061 12.065,1063 18.654,1064 8.632,1065 3.045,1066 -1.854,1067 17.015,1068 -4.419,1069 10.012,1070 13.421,1072 20.897,1073 9.47,1074 2.14,1075 10.214,1076 18.854,1077 -4.766,1078 11.206,1079 14.99,1081 23.263,1082 10.627,1083 1.783,1084 6.251,1085 20.702,1086 4.457,1087 12.247,1088 16.426,1090 25.554,1091 11.582,1092 1.548,1093 3.729,1094 22.556,1095 2.877,1096 13.393,1097 17.952,1099 27.895,1100 12.68,1101 1.29,1102 3.516,1103 24.414,1104 2.321,1105 14.476,1106 19.422,1108 30.205,1109 13.688,1110 1,1111 2.524,1112 26.276,1113 1.818,1114 15.602,1115 20.93,1117 32.537,1118 14.76,1119 0.753,1120 2.23,1121 28.14,1122 1.5,1123 16.703,1124 22.414,1126 34.854,1127 15.792,1128 2159,1129 2958,1130 11.614,1131 22.864,1132 23.999,1133 23.922,1134 24.695,1135 23.912,1136 23.922,1137 31.438,1139 61.681,1140 23.129,1141 5.411,1142 5.117,1143 6.464,1144 5.032,1145 5.045,1146 7.457,1148 16.989,1149 4.833,1150 5.117,1151 1.412,1152 1.407,1153 1.453,1154 1.407,1155 1.407,1156 1.849,1158 3.628,1159 1.361,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 5.051,1165 3.996,1166 3.752,1167 3.82,1168 3.582,1169 3.629,1170 4.377,1171 3.609,1172 3.507,1173 3.582,1174 3.339,1175 3.369,1176 4.199,1177 3.35,1178 3.322,1179 3.388,1180 3.192,1181 3.175,1182 3.982,1183 3.174,1184 3.141,1185 3.227,1186 2.943,1187 2.985,1188 3.727,1189 2.964,1190 2.849,1191 2.94,1192 2.632,1193 2.676,1194 3.413,1195 2.654,1196 2.577,1197 2.696,1198 2.269,1199 2.354,1200 3.277,1201 2.316,1202 2.304,1203 2.44,1204 2.15,1205 2.036,1206 3.025,1207 2.024,1208 0.265,1209 0.183,1210 0.383,1211 0.234,1212 0.179,1213 4.509,1214 0.262,1215 3.117,1217 6.512,1218 0.601,1219 3.986,1220 0.169,1221 3.045,1222 4.457,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.081,1229 2.089,1230 1.398,1231 2.085,1232 1.757,1233 1.695,1234 1.991,1235 1.917,1236 1.218,1237 1.95,1238 1.52,1239 1.451,1240 1.804,1241 1.699,1242 1.025,1243 1.74,1244 1.331,1245 1.261,1246 1.554,1247 1.562,1248 0.752,1249 1.551,1250 1.129,1251 1.037,1252 1.431,1253 1.371,1254 0.471,1255 1.414,1256 1.011,1257 0.95,1258 1.222,1259 1.197,1260 0.329,1261 1.214,1262 0.78,1263 0.676,1264 1.2,1265 1.047,1266 0.3,1267 1.107,1268 0.5,1269 0.386,1270 0.951,1271 0.786,1272 0.116,1273 0.848,1274 3.555,1276 4.779,1277 2.398,1278 6.209,1279 4.595,1280 7.752,1281 6.605,1282 9.363,1284 2.256,1290 7.858,1300 20.784,1301 44.376,1302 99.54,1303 136.633,1304 159.853,1305 169.362,1306 169.362,1307 17.468,1308 5.869,1309 17.3,1310 17.3,1311 11,1312 11.647,1313 3.459,1314 2.585,1315 26.238,1316 45,1317 56,1318 0.284,1319 132.155,1320 215.68,1321 314.219,1322 2248,1324 11.217,1325 0.701,1326 0.626,1327 11.217,1328 10.024,1329 7.915,1330 0.466,1331 0.371,1332 6.274,1333 7.751,1334 6.105,1335 5.178,1336 7.915,1337 6.315,1338 6.249,1339 0.298,1340 0.208,1341 6.249,1342 4.37,1343 5.152,1344 0.191,1345 0.114,1346 5.152,1347 3.069,1348 4.269,1349 0.126,1350 0.062,1351 4.269,1352 2.12,1353 3.018,1354 0.084,1355 0.037,1356 3.018,1357 1.332,1358 0.446,1359 48.528,1360 0.293,1361 16.615,1362 0.763,1363 76,1364 159.29,1365 80.191,1366 160.306,1367 227.66,1368 152,1369 86,1370 174.986,1371 90.857,1372 179.074,1373 258.95,1374 169,1375 5.481} {0 CHEMBL45328,1 1.563,2 8.063,3 2.025,4 4.1,5 60.037,6 7.276,7 0.588,8 3.495,9 3.612,10 3.03,11 3.004,12 4.636,13 2.987,14 4.007,15 4.183,16 3.326,17 3.377,18 5.197,19 3.321,20 4.241,21 4.471,22 3.163,23 3.455,24 5.201,25 3.334,26 4.213,27 4.474,28 2.968,29 3.332,30 5.104,31 3.178,32 4.028,33 4.296,34 2.754,35 3.103,36 4.916,37 2.955,38 3.872,39 4.125,40 2.669,41 2.957,42 4.849,43 2.833,44 3.709,45 3.971,46 2.661,47 2.778,48 4.783,49 2.687,50 3.52,51 3.74,52 2.51,53 2.486,54 4.8,55 2.461,56 0.033,57 0.432,58 6.284,59 2.685,60 7.844,61 3.561,62 0.198,63 0.679,64 11.463,65 4.412,66 33.972,67 6.141,68 0.201,69 0.752,70 15.736,71 5.808,72 35.363,73 8.137,74 0.19,75 0.695,76 15.804,77 5.619,78 35.144,79 8.12,80 0.189,81 0.56,82 13.375,83 4.473,84 31.834,85 6.49,86 0.177,87 0.486,88 11.329,89 3.619,90 27.996,91 5.213,92 0.101,93 0.413,94 9.524,95 2.995,96 16.339,97 4.449,98 0.157,99 0.318,100 8.068,101 2.055,102 25.443,103 2.85,104 10,105 22,106 0.3,107 0.676,108 0.814,109 0.865,110 0.891,111 0.891,112 2.85,113 0.949,114 -2.88,115 -2.89,116 -2.79,118 40,120 4,140 2,141 1,143 1,149 1,150 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 3,175 1,177 1,180 6,181 1,186 3,191 1,194 4,195 1,198 4,203 1,206 3,207 1,210 3,215 1,218 2,219 1,222 3,227 1,230 2,234 4,239 2,247 1,248 1,258 1,260 1,262 1,270 276,271 10.776,272 10.776,273 10.776,274 10.776,275 10.776,276 9.432,277 6.78,278 6.645,279 10.951,280 8.421,281 8.421,282 8.421,283 8.421,284 8.421,285 6.396,286 3.363,287 3.194,288 8.699,289 3.344,290 1.387,291 0.667,292 0.4,293 0.267,294 0.267,295 3.505,299 1,300 1,301 270,302 2.915,305 36.518,306 40.355,309 63.894,313 1.32,314 14.082,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35,326 129,327 4.424,328 3.596,329 6.193,330 3.889,331 2.94,332 4.365,333 2.341,334 9.255,335 2.798,336 3.653,337 2.982,338 5.259,339 3.307,340 2.322,341 3.056,343 6.687,344 2.277,345 3.545,346 2.5,347 4.657,348 3.208,349 2.207,350 2.709,352 5.177,353 2.184,354 3.034,355 1.564,356 4.367,357 2.494,358 1.534,359 2.301,361 4.215,362 1.469,363 2.631,364 1.534,365 3.543,366 2.39,367 1.395,368 1.678,370 2.905,371 1.382,372 2.459,373 1.141,374 3.407,375 2.009,376 1.09,377 1.438,379 2.404,380 1,381 1.956,382 0.838,383 3.039,384 1.523,385 0.545,386 0.731,388 1.255,389 0.531,390 1.506,391 0.516,392 2.727,393 1.262,394 0.277,395 0.333,397 0.63,398 0.271,399 0.84,400 0.288,401 2.262,402 0.513,403 -0.481,404 -0.564,406 -1.184,407 -0.472,408 0.599,409 -0.177,410 1.924,411 0.109,412 -0.87,413 -1.119,415 -2,416 -0.827,417 0.481,418 -0.756,419 1.556,420 0.008,421 -1,422 -1.339,424 -2.244,425 -0.925,426 0.2,427 -0.912,428 1.481,429 -0.067,430 -1,431 -1.436,433 -2.512,434 -1.022,435 -0.105,436 -1.252,437 1.037,438 -0.555,439 -1.536,440 -1.838,442 -3.913,443 -1.472,444 -0.329,445 -1.605,446 1,447 -0.669,448 -1.609,449 -2.062,451 -4.372,452 -1.541,453 -0.5,454 -1.726,455 0.747,456 -0.876,457 -1.842,458 -2.409,460 -4.868,461 -1.762,462 7.467,463 0.467,464 0.332,465 0.021,466 19.75,467 1.234,468 9.5,469 0.594,470 10.25,471 0.641,472 10.492,473 0.656,474 17.733,475 0.591,476 11.214,477 0.701,478 3.822,479 0.239,480 3.932,481 0.246,482 0.089,484 0.254,487 0.802,488 1.425,489 0.815,490 1.148,491 0.687,492 1.011,493 0.513,494 1.125,495 0.904,496 1.091,497 0.364,498 1.062,499 0.861,500 0.99,501 1.05,502 1.044,503 0.877,504 1.082,505 0.74,506 1,507 0.986,508 1.054,509 0.782,510 1.071,511 0.894,512 0.903,513 1.002,514 0.961,515 0.914,516 0.999,517 1.099,518 0.931,519 1.102,520 0.968,521 1.081,522 1.023,523 0.834,524 1.006,525 0.834,526 1.001,527 0.677,528 0.916,529 1.941,530 1.012,531 1.205,532 0.946,533 1.93,534 0.933,535 3,536 0.04,537 1.333,538 0.632,539 0.488,540 0.17,541 0.198,542 0.115,543 0.101,544 0.087,545 2154,546 6825,547 2.03,548 46.7,549 6,550 2,551 1,552 2,553 1,554 2,558 1.541,559 1.92,560 3.022,561 -0.229,563 1,564 1,565 1,567 46.884,568 1.563,569 3.52,570 4.24,571 4.507,572 4.64,573 4.64,574 2.483,575 3.875,576 3.97,577 3.174,578 380.869,579 6.638,580 3411.93,582 1,584 1,585 147.207,586 1.299,587 3.94,588 0.176,589 0.01,590 0.061,591 0.035,592 0.035,593 0.015,594 0.02,595 0.012,596 0.013,597 0.014,598 0.391,599 0.67,600 1,601 1.875,602 66.273,603 -0.072,604 -0.221,605 0.024,606 -0.047,607 -0.045,608 -0.008,609 0.192,610 0.011,611 -0.026,612 -0.059,613 0.234,614 -0.077,615 -0.104,616 -0.024,617 -0.127,618 -0.029,619 -0.099,620 -0.076,621 -0.034,622 -0.095,623 -0.044,624 -0.062,625 -0.068,626 -0.059,627 -0.076,628 -0.012,629 -0.034,630 0.004,631 -0.095,632 -0.005,633 -0.155,634 -0.004,635 -0.125,636 -0.02,637 -0.14,638 -0.058,639 0.013,640 -0.074,641 0.145,642 -0.066,643 0.116,644 0.055,645 -0.317,646 -0.082,647 -0.132,648 -0.084,649 -0.226,650 -0.068,651 2.383,652 3.339,653 0.563,654 11.281,655 1.005,656 1.13,657 1.649,658 2.72,659 0.65,660 2.89,661 3.135,662 3.296,663 3.497,664 3.584,665 3.584,666 3.638,667 3.611,668 3.296,669 3.258,670 5.012,671 0.621,672 218.28,673 2.89,674 4.369,675 5.165,676 5.999,677 6.819,678 7.662,679 8.495,680 9.343,681 10.184,682 11.036,683 6.7,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 30,726 11,728 17,730 31,731 12,733 7,739 2,740 3,751 4,753 8,754 4,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 16,845 1,846 4,862 6.7,864 1,865 1,869 8.333,870 5.183,871 3.611,872 1.853,874 2.13,875 1.363,876 0.93,877 3.446,878 7.999,879 3.178,880 3.744,881 4.275,882 4.867,883 5.297,884 5.574,885 5.895,886 6.162,887 5.523,888 5.601,889 1,890 18,891 5.88,893 2.411,894 7.938,895 11.196,897 8.929,899 2.438,900 39,901 0.002,904 153.024,905 62.044,906 18.072,908 67.828,911 62.044,912 220.853,913 18.072,915 10.138,916 28,917 117.684,918 13.519,919 13.915,920 117.711,922 153.024,923 80.116,924 67.828,927 153.024,928 67.828,931 29.091,932 34.24,933 16.786,935 153.024,936 85.9,937 62.044,940 153.024,941 16.378,942 46.952,944 84.614,945 153.024,946 85.9,947 62.044,949 0.562,950 0.296,951 0.152,952 0.075,953 10,954 4,955 0.161,956 5,957 1,958 1.222,959 2.977,960 98.231,961 0.222,962 9,963 64,968 10.993,969 5.015,970 2.99,971 1.079,972 84.614,973 9.711,974 4.047,978 1.235,980 42.683,981 300.968,982 23,987 10.339,991 -0.716,994 30.16,995 33.907,996 0.318,997 0.717,998 0.864,999 0.918,1000 0.946,1001 0.946,1002 4.35,1003 0.277,1004 5.106,1005 1.255,1006 3.807,1007 4.425,1008 2.258,1009 5.808,1010 3.743,1011 5.532,1012 -0.481,1013 6.592,1014 0.63,1015 3.219,1016 4.205,1017 2.243,1018 6.503,1019 3.115,1020 6.814,1021 -0.87,1022 8.177,1023 -1.184,1024 5.283,1025 6.639,1026 3.628,1027 9.545,1028 5.149,1029 8.136,1030 -1,1031 9.823,1032 -2,1033 5.525,1034 7.315,1035 4.112,1036 11.124,1037 5.327,1038 9.493,1039 -1,1040 11.51,1041 -2.244,1042 7.036,1043 9.2,1044 5.201,1045 13.65,1046 6.814,1047 10.875,1048 -1.536,1049 13.226,1050 -2.512,1051 7.689,1052 10.3,1053 5.889,1054 15.599,1055 7.391,1056 12.276,1057 -1.609,1058 14.965,1059 -3.913,1060 8.954,1061 11.956,1062 6.849,1063 17.94,1064 8.629,1065 2.94,1066 -1.842,1067 16.721,1068 -4.372,1069 9.818,1070 13.259,1071 7.625,1072 20.046,1073 9.416,1074 2.322,1075 9.255,1076 18.49,1077 -4.868,1078 10.973,1079 14.813,1080 8.526,1081 22.317,1082 10.536,1083 2.207,1084 6.687,1085 20.269,1086 4.365,1087 11.944,1088 16.21,1089 9.342,1090 24.49,1091 11.435,1092 1.534,1093 5.177,1094 22.056,1095 3.056,1096 13.05,1097 17.719,1098 10.216,1099 26.734,1100 12.5,1101 1.395,1102 4.215,1103 23.85,1104 2.709,1105 14.075,1106 19.158,1107 11.051,1108 28.935,1109 13.459,1110 1.09,1111 2.905,1112 25.649,1113 2.301,1114 15.162,1115 20.648,1116 11.912,1117 31.168,1118 14.5,1119 0.545,1120 2.404,1121 27.453,1122 1.678,1123 16.213,1124 22.105,1125 12.755,1126 33.382,1127 15.491,1128 2202,1129 3973,1130 11.326,1131 19.489,1132 24.768,1133 25.024,1134 24.97,1135 24.636,1136 24.624,1137 33.222,1138 4.682,1139 65.058,1140 23.822,1141 5.309,1142 5.596,1143 5.883,1144 4.928,1145 4.94,1146 7.365,1147 3.925,1148 15.526,1149 4.752,1150 6.975,1151 1.457,1152 1.472,1153 1.469,1154 1.449,1155 1.448,1156 1.954,1157 0.275,1158 3.827,1159 1.401,1160 4.113,1161 4.162,1162 4.072,1163 3.974,1164 7.474,1165 3.991,1166 3.726,1167 3.777,1168 3.602,1169 3.573,1170 6.351,1171 3.57,1172 3.461,1173 3.499,1174 3.374,1175 3.283,1176 5.058,1177 3.297,1178 3.18,1179 3.227,1180 3.056,1181 2.975,1182 4.373,1183 2.986,1184 2.951,1185 3.011,1186 2.821,1187 2.786,1188 3.99,1189 2.789,1190 2.713,1191 2.79,1192 2.491,1193 2.428,1194 3.743,1195 2.438,1196 2.323,1197 2.442,1198 2.126,1199 2.028,1200 3.414,1201 2.015,1202 2.264,1203 2.382,1204 1.977,1205 1.999,1206 3.141,1207 2,1208 0.26,1209 0.212,1210 0.364,1211 0.229,1212 0.173,1213 4.424,1214 0.257,1215 3.596,1216 0.138,1217 6.193,1218 0.544,1219 3.889,1220 0.165,1221 2.94,1222 4.365,1223 2.341,1224 9.255,1225 2.798,1226 1.95,1227 1.913,1228 2.069,1229 2.081,1230 1.342,1231 2.077,1232 1.675,1233 1.623,1234 1.89,1235 1.865,1236 1.105,1237 1.876,1238 1.341,1239 1.276,1240 1.543,1241 1.591,1242 0.767,1243 1.572,1244 1.292,1245 1.248,1246 1.48,1247 1.523,1248 0.439,1249 1.512,1250 0.947,1251 0.9,1252 1.181,1253 1.203,1254 0.32,1255 1.194,1256 0.748,1257 0.679,1258 1.066,1259 1.011,1260 0.122,1261 1.037,1262 0.528,1263 0.447,1264 0.893,1265 0.848,1267 0.875,1268 0.236,1269 0.102,1270 0.757,1271 0.648,1273 0.704,1274 3.555,1276 4.812,1277 2.398,1278 6.244,1279 4.595,1280 7.768,1281 6.581,1282 9.347,1289 8.513,1290 2.834,1300 18.633,1301 46.884,1302 105.597,1303 127.207,1304 135.207,1305 139.207,1306 139.207,1307 22.521,1308 5.869,1309 54.6,1310 54.6,1311 11,1312 11.595,1313 3.585,1314 2.807,1315 26.305,1316 47,1317 44,1318 0.275,1319 118.036,1320 196.02,1321 279.767,1322 2230,1324 11.38,1325 0.711,1326 0.56,1327 11.38,1328 8.965,1329 7.754,1330 0.456,1331 0.316,1332 5.308,1333 7.436,1334 5.214,1335 4.337,1336 7.754,1337 5.379,1338 6.808,1339 0.309,1340 0.176,1341 6.808,1342 3.862,1343 5.042,1344 0.194,1345 0.099,1346 5.042,1347 2.585,1348 4.048,1349 0.126,1350 0.054,1351 4.048,1352 1.726,1353 2.915,1354 0.083,1355 0.031,1356 2.915,1357 1.093,1358 0.436,1359 48.754,1360 0.297,1361 16.664,1362 0.729,1363 78,1364 247.175,1365 86.286,1366 237.8,1367 313.44,1368 220,1369 87,1370 221.3,1371 94.182,1372 223.577,1373 318.01,1374 209,1375 5.328} {0 CHEMBL45632,1 1.576,2 9.056,3 1.392,4 1.938,5 68.05,6 7.067,7 0.526,8 3.645,9 3.776,10 3.151,11 3.118,12 4.787,13 3.098,14 4.158,15 4.346,16 3.417,17 3.492,18 5.184,19 3.428,20 4.415,21 4.661,22 3.369,23 3.583,24 5.456,25 3.471,26 4.408,27 4.666,28 3.204,29 3.527,30 5.303,31 3.389,32 4.34,33 4.622,34 2.952,35 3.375,36 5.175,37 3.206,38 4.176,39 4.459,40 2.849,41 3.201,42 5.034,43 3.049,44 4.007,45 4.275,46 2.766,47 3.052,48 4.944,49 2.925,50 3.85,51 4.114,52 2.764,53 2.899,54 4.876,55 2.79,56 0.09,57 0.516,58 7.808,59 2.993,60 11.081,61 4.251,62 0.167,63 0.788,64 13.801,65 4.999,66 18.665,67 7.28,68 0.321,69 0.877,70 19.16,71 6.317,72 53.28,73 9.463,74 0.248,75 0.843,76 19.18,77 6.255,78 38.378,79 9.411,80 0.253,81 0.741,82 18.289,83 5.66,84 37.23,85 8.719,86 0.227,87 0.619,88 15.622,89 4.713,90 33.436,91 7.262,92 0.203,93 0.532,94 13.096,95 3.818,96 29.129,97 5.865,98 0.197,99 0.454,100 11.122,101 3.394,102 21.737,103 5.136,104 12,105 24,106 0.292,107 0.653,108 0.791,109 0.877,110 0.898,111 0.898,112 2.958,113 0.969,114 -2.77,115 -2.78,116 -2.7,118 37.1,120 5,140 3,143 1,150 2,154 1,156 1,166 1,168 6,171 1,172 4,175 1,177 1,180 5,186 4,189 1,191 2,194 4,198 5,203 2,206 4,210 3,215 2,218 3,222 3,227 2,229 3,234 1,239 1,242 2,246 1,247 2,250 1,252 1,255 1,259 1,262 1,264 2,270 378,271 12.405,272 12.405,273 12.405,274 12.405,275 12.405,276 11.094,277 8.391,278 7.659,279 12.614,280 9.325,281 9.325,282 9.325,283 9.325,284 9.325,285 7.287,286 4.024,287 3.559,288 9.593,289 3.553,290 1.61,291 0.865,292 0.4,293 0.286,294 0.286,295 3.619,299 1,300 1,301 341,302 3.24,305 38.858,306 49.905,309 74.301,313 1.389,314 15.056,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39.5,326 163,327 4.509,328 3.864,329 6.512,330 3.986,331 3.045,332 4.457,333 2.071,334 10.214,335 2.865,336 3.64,337 3.117,338 5.203,339 3.365,340 2.347,341 2.877,342 0.589,343 6.252,344 2.375,345 3.499,346 3.088,347 4.988,348 3.113,349 2.133,350 2.81,352 5.891,353 2.089,354 3.048,355 2.291,356 4.138,357 2.588,358 1.591,359 2.321,361 3.711,362 1.584,363 2.671,364 1.678,365 3.7,366 2.515,367 1.547,368 1.672,370 3.282,371 1.494,372 2.5,373 1.548,374 3.412,375 1.939,376 1,377 1.5,379 2.239,380 0.938,381 2.164,382 1.124,383 3.276,384 1.914,385 0.946,386 1.084,388 2.076,389 0.913,390 1.812,391 1,392 2.948,393 1.53,394 0.561,395 0.687,397 1.234,398 0.542,399 1.477,400 0.717,401 2.522,402 1.281,403 0.265,404 0.298,406 0.394,407 0.267,408 1.138,409 0.267,410 2.287,411 0.865,412 -0.157,413 -0.188,415 -0.324,416 -0.159,417 0.718,418 -0.153,419 1.93,420 0.39,421 -0.615,422 -0.767,424 -1.402,425 -0.614,426 0.5,427 -0.526,428 1.677,429 -0.046,430 -1,431 -1.339,433 -2.422,434 -0.946,435 0.151,436 -0.963,437 1.505,438 -0.097,439 -1.121,440 -1.5,442 -2.547,443 -1.142,444 -0.099,445 -1,446 1.377,447 -0.409,448 -1.405,449 -1.713,451 -3.022,452 -1.404,453 -0.253,454 -1.374,455 0.842,456 -0.642,457 -1.589,458 -1.881,460 -4.306,461 -1.484,462 8.367,463 0.465,464 0.277,465 0.015,466 21,467 1.167,468 9.5,469 0.528,470 11.5,471 0.639,472 13.139,473 0.73,474 20.433,475 0.584,476 12.411,477 0.69,478 4.096,479 0.228,480 4.713,481 0.262,482 0.08,484 0.227,487 0.727,488 1.394,489 0.854,490 1.139,491 0.641,492 1.037,493 0.654,494 1.227,495 0.957,496 1.179,497 0.576,498 1.128,499 0.731,500 0.958,501 0.942,502 0.975,503 0.678,504 0.989,505 0.885,506 1.02,507 1.049,508 1.054,509 0.88,510 1.08,511 0.87,512 0.933,513 1.072,514 1.022,515 0.835,516 1.072,517 0.939,518 0.876,519 0.995,520 0.923,521 0.93,522 0.962,523 1.118,524 0.922,525 1.076,526 0.944,527 1.097,528 0.991,529 0.789,530 0.91,531 0.857,532 0.964,533 0.901,534 0.936,535 2.5,536 0.073,537 1.778,538 0.688,539 0.453,540 0.226,541 0.116,542 0.115,543 0.113,544 0.1,545 3020,546 9301,547 2.026,548 48.6,549 6,550 3,552 2,553 2,554 4,558 1.578,559 1.929,560 3.141,561 0.429,563 1,564 1,565 1,567 55.177,568 1.576,569 3.52,570 4.265,571 4.729,572 4.844,573 4.844,574 2.483,575 3.725,576 4.141,577 3.32,578 507.894,579 6.985,580 5091.85,581 1,582 1,585 179.525,586 1.224,587 4.116,588 0.132,589 0.008,590 0.074,591 0.031,592 0.025,593 0.017,594 0.01,595 0.01,596 0.01,597 0.009,598 0.327,599 0.5,600 1,601 2.206,602 78.75,603 0.054,604 -0.108,605 0.028,606 0.009,607 0.018,608 0.005,609 0.058,610 -0.06,611 -0.059,612 -0.101,613 0.022,614 -0.106,615 0.064,616 0.031,617 -0.002,618 0.037,619 0.132,620 0.015,621 -0.101,622 -0.064,623 -0.108,624 -0.054,625 -0.092,626 -0.08,627 -0.096,628 -0.024,629 -0.118,630 -0.061,631 -0.094,632 -0.087,633 -0.092,634 0.014,635 -0.027,636 0.028,637 -0.097,638 0.017,639 -0.157,640 0.001,641 -0.097,643 -0.14,644 -0.03,645 0.153,646 0.006,647 0.123,648 -0.012,649 0.017,650 0.035,651 1.98,652 3.812,653 0.5,654 13.111,655 1.004,656 1.138,657 1.539,658 2.369,659 0.636,660 2.996,661 3.219,662 3.434,663 3.611,664 3.664,665 3.638,666 3.638,667 3.664,668 3.434,669 3.401,670 5.575,671 0.605,672 247.33,673 2.996,674 4.466,675 5.273,676 6.103,677 6.932,678 7.774,679 8.616,680 9.466,681 10.314,682 11.17,683 8.6,690 1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 35,726 11,728 19,730 36,731 13,733 7,739 2,740 3,751 5,753 8,754 5,756 1,761 1,765 1,769 1,772 17,773 4,774 2,775 5,778 1,779 3,784 0.5,785 2,795 1,801 1,802 1,805 1,825 1,830 1,832 1,840 18,845 1,846 5,847 1,862 5.7,863 1,865 1,869 9.333,870 5.933,871 4.222,872 2.176,874 2.117,875 1.349,876 0.926,877 4.589,878 8.173,879 3.258,880 3.79,881 4.358,882 4.924,883 5.31,884 5.554,885 5.837,886 6.124,887 5.554,888 5.594,889 0.833,890 22,891 6.609,893 2.679,894 7.889,895 12.645,897 10.028,899 2.389,900 43,901 0.001,904 176.567,905 68.373,906 32.545,908 67.951,911 68.373,912 244.517,913 32.545,915 27.145,916 71.234,917 78.796,918 10.334,919 4.901,920 153.024,922 176.567,923 100.918,924 67.951,927 176.567,928 25.145,929 42.806,931 46.098,932 38.034,933 16.786,935 176.567,936 100.495,937 68.373,940 176.567,941 22.278,942 47.381,943 14.473,944 84.736,945 176.567,946 100.495,947 68.373,949 0.552,950 0.32,951 0.161,952 0.075,953 10,954 4,955 0.167,956 6,957 1,958 1.222,959 3.185,960 114.937,961 0.222,962 9,963 75.059,968 12.9,969 6.404,970 3.472,971 1.104,972 99.209,973 9.821,974 4.123,978 1.233,980 57.278,981 345.435,982 25,987 10.812,991 -0.313,994 35.145,995 39.82,996 0.307,997 0.686,998 0.831,999 0.922,1000 0.944,1001 0.944,1002 4.425,1003 0.561,1004 5.198,1005 2.076,1006 3.892,1007 4.472,1008 2.229,1009 5.922,1010 3.834,1011 5.586,1012 0.265,1013 6.698,1014 1.234,1015 3.219,1016 4.205,1017 1.593,1018 6.72,1019 3.12,1020 6.863,1021 -0.157,1022 8.308,1023 0.394,1024 5.38,1025 6.682,1026 3.295,1027 9.813,1028 5.245,1029 8.189,1030 -0.615,1031 9.99,1032 -0.324,1033 5.638,1034 7.392,1035 3.334,1036 11.557,1037 5.425,1038 9.556,1039 -1,1040 11.72,1041 -1.402,1042 7.177,1043 9.278,1044 4.57,1045 14.142,1046 6.934,1047 10.953,1048 -1.121,1049 13.486,1050 -2.422,1051 7.886,1052 10.431,1053 4.933,1054 16.244,1055 7.548,1056 12.373,1057 -1.405,1058 15.278,1059 -2.547,1060 9.168,1061 12.088,1062 5.934,1063 18.666,1064 8.794,1065 3.045,1066 -1.589,1067 17.088,1068 -3.022,1069 10.095,1070 13.436,1071 6.462,1072 20.903,1073 9.625,1074 2.347,1075 10.214,1076 18.913,1077 -4.306,1078 11.271,1079 15,1080 7.341,1081 23.267,1082 10.754,1083 2.133,1084 6.252,1085 20.748,1086 4.457,1087 12.299,1088 16.432,1089 7.957,1090 25.556,1091 11.694,1092 1.591,1093 5.891,1094 22.592,1095 2.877,1096 13.434,1097 17.956,1098 8.77,1099 27.897,1100 12.774,1101 1.547,1102 3.711,1103 24.443,1104 2.81,1105 14.508,1106 19.424,1107 9.434,1108 30.206,1109 13.768,1110 1,1111 3.282,1112 26.298,1113 2.321,1114 15.627,1115 20.931,1116 10.21,1117 32.537,1118 14.828,1119 0.946,1120 2.239,1121 28.157,1122 1.672,1123 16.722,1124 22.415,1125 10.902,1126 34.855,1127 15.849,1128 3078,1129 5464,1130 12.712,1131 22.256,1132 26.957,1133 29.883,1134 27.933,1135 26.844,1136 26.871,1137 35.412,1138 5.32,1139 70.586,1140 26.135,1141 5.432,1142 5.864,1143 6.287,1144 5.033,1145 5.045,1146 7.457,1147 3.641,1148 16.989,1149 4.838,1150 7.627,1151 1.419,1152 1.573,1153 1.47,1154 1.413,1155 1.414,1156 1.864,1157 0.28,1158 3.715,1159 1.376,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.431,1165 3.996,1166 3.751,1167 3.806,1168 3.627,1169 3.605,1170 6.493,1171 3.597,1172 3.503,1173 3.556,1174 3.389,1175 3.315,1176 5.051,1177 3.322,1178 3.32,1179 3.38,1180 3.213,1181 3.155,1182 4.376,1183 3.162,1184 3.132,1185 3.204,1186 2.976,1187 2.907,1188 4.096,1189 2.919,1190 2.851,1191 2.931,1192 2.672,1193 2.597,1194 3.81,1195 2.604,1196 2.618,1197 2.7,1198 2.422,1199 2.274,1200 3.51,1201 2.277,1202 2.383,1203 2.46,1204 2.183,1205 2.019,1206 3.285,1207 2.031,1208 0.237,1209 0.203,1210 0.343,1211 0.21,1212 0.16,1213 4.509,1214 0.235,1215 3.864,1216 0.109,1217 6.512,1218 0.538,1219 3.986,1220 0.151,1221 3.045,1222 4.457,1223 2.071,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.072,1229 2.089,1230 1.372,1231 2.084,1232 1.723,1233 1.669,1234 1.938,1235 1.9,1236 1.159,1237 1.914,1238 1.446,1239 1.394,1240 1.673,1241 1.671,1242 0.906,1243 1.665,1244 1.296,1245 1.23,1246 1.466,1247 1.557,1248 0.538,1249 1.534,1250 1.029,1251 0.963,1252 1.298,1253 1.356,1254 0.346,1255 1.347,1256 0.999,1257 0.93,1258 1.221,1259 1.197,1260 0.3,1261 1.213,1262 0.695,1263 0.601,1264 1.067,1265 1.055,1266 0.096,1267 1.073,1268 0.455,1269 0.352,1270 0.884,1271 0.803,1273 0.825,1274 3.664,1276 4.905,1277 2.398,1278 6.34,1279 4.595,1280 7.875,1281 6.605,1282 9.47,1289 8.354,1290 4.14,1291 1.643,1300 21.181,1301 55.177,1302 123.186,1303 149.26,1304 165.525,1305 169.525,1306 169.525,1307 28.74,1308 6.057,1309 66.63,1310 66.63,1311 11,1312 11.726,1313 3.585,1314 2.807,1315 31.381,1316 60,1317 60,1318 0.256,1319 134.422,1320 224.32,1321 319.751,1322 2970,1324 12.795,1325 0.711,1326 0.565,1327 12.795,1328 10.172,1329 8.809,1330 0.464,1331 0.323,1332 6.054,1333 8.413,1334 5.959,1335 4.972,1336 8.809,1337 6.139,1338 7.197,1339 0.3,1340 0.179,1341 7.197,1342 4.301,1343 5.942,1344 0.198,1345 0.1,1346 5.942,1347 2.994,1348 4.539,1349 0.126,1350 0.057,1351 4.539,1352 2.035,1353 3.209,1354 0.084,1355 0.033,1356 3.209,1357 1.272,1358 0.412,1359 55.733,1360 0.28,1361 18.651,1362 0.669,1363 86,1364 269.508,1365 95.232,1366 259.097,1367 343.1,1368 240,1369 97,1370 246.401,1371 106.234,1372 246.619,1373 349.89,1374 231,1375 7.699} {0 CHEMBL45685,1 1.493,2 9.111,3 2.807,4 7.881,5 69.064,6 6.843,7 0.526,8 3.656,9 3.781,10 3.137,11 3.165,12 4.733,13 3.131,14 4.194,15 4.383,16 3.423,17 3.538,18 5.293,19 3.458,20 4.461,21 4.717,22 3.31,23 3.627,24 5.323,25 3.493,26 4.442,27 4.708,28 3.196,29 3.569,30 5.278,31 3.413,32 4.369,33 4.652,34 2.947,35 3.42,36 5.175,37 3.237,38 4.21,39 4.495,40 2.844,41 3.254,42 5.034,43 3.085,44 4.048,45 4.317,46 2.76,47 3.113,48 4.936,49 2.965,50 3.891,51 4.148,52 2.67,53 2.965,54 4.857,55 2.837,56 0.023,57 0.509,58 8.084,59 3.354,60 6.695,61 4.625,62 0.188,63 0.807,64 14.625,65 5.542,66 33.834,67 7.968,68 0.214,69 0.921,70 20.053,71 7.005,72 33.917,73 10.273,74 0.19,75 0.887,76 19.701,77 6.909,78 32.445,79 10.228,80 0.207,81 0.787,82 18.585,83 6.236,84 33.973,85 9.331,86 0.185,87 0.66,88 15.913,89 5.286,90 30.389,91 7.874,92 0.165,93 0.568,94 13.476,95 4.382,96 27.278,97 6.487,98 0.152,99 0.488,100 11.512,101 3.611,102 23.778,103 5.33,104 12,105 24,106 0.275,107 0.598,108 0.744,109 0.84,110 0.871,111 0.891,112 2.957,113 1.009,114 -3.41,115 -3.4,116 -3.25,118 38.9,120 6,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 4,175 1,177 1,180 6,181 1,186 4,191 1,194 5,195 1,198 5,203 1,206 5,207 1,210 3,215 1,218 4,219 1,222 3,227 1,229 3,230 1,234 3,239 1,242 3,247 1,248 1,255 2,256 1,258 1,259 2,262 1,264 1,267 1,268 1,270 386,271 12.242,272 12.242,273 12.242,274 12.242,275 12.242,276 10.878,277 6.78,278 7.69,279 12.411,280 9.415,281 9.415,282 9.415,283 9.415,284 9.415,285 7.38,286 3.363,287 3.677,288 9.698,289 3.677,290 1.927,291 1.132,292 0.611,293 0.444,294 0.333,295 3.619,299 1,300 1,301 343,302 3.24,305 38.97,306 50.023,309 74.482,313 1.444,314 14.704,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 164,327 4.509,328 3.596,329 6.512,330 3.986,331 3.045,332 4.457,333 2.341,334 10.214,335 2.865,336 3.55,337 3.117,338 5.203,339 3.242,340 2.237,341 2.877,343 6.251,344 2.224,345 3.499,346 2.292,347 4.659,348 3.115,349 2.134,350 2.71,352 5.184,353 2.09,354 3.048,355 1.759,356 4.138,357 2.67,358 1.673,359 2.321,361 3.718,362 1.664,363 2.749,364 1.548,365 3.744,366 2.515,367 1.548,368 1.75,370 3.416,371 1.495,372 2.5,373 1.274,374 3.419,375 2.093,376 1.099,377 1.5,379 2.356,380 1.088,381 2.261,382 1,383 3.315,384 1.922,385 1,386 1.216,388 2.225,389 0.92,390 1.965,391 0.861,392 3,393 1.605,394 0.635,395 0.812,397 1.483,398 0.613,399 1.404,400 0.554,401 2.543,402 1.205,403 0.213,404 0.244,406 0.464,407 0.21,408 0.931,409 0.248,410 2.288,411 0.646,412 -0.351,413 -0.409,415 -0.801,416 -0.347,417 0.548,418 -0.132,419 1.93,420 0.222,421 -0.776,422 -0.905,424 -1.751,425 -0.756,426 0.5,427 -0.598,428 1.672,429 -0.013,430 -1,431 -1.3,433 -2,434 -0.946,435 0.314,436 -1,437 1.501,438 -0.049,439 -1,440 -1.5,442 -2.427,443 -0.975,444 -0.089,445 -1.073,446 1.248,447 -0.311,448 -1.292,449 -1.548,451 -2.989,452 -1.291,453 -0.201,454 -1.463,455 1,456 -0.645,457 -1.593,458 -1.91,460 -4.124,461 -1.488,462 8.467,463 0.47,464 0.315,465 0.018,466 20.75,467 1.153,468 9.5,469 0.528,470 11.25,471 0.625,472 13.677,473 0.76,474 20.333,475 0.565,476 11.74,477 0.652,478 3.846,479 0.214,480 4.925,481 0.274,482 0.079,484 0.224,487 0.795,488 1.437,489 0.878,490 1.196,491 0.677,492 1.073,493 0.49,494 1.257,495 0.949,496 1.197,497 0.358,498 1.147,499 0.871,500 0.947,501 0.981,502 0.944,503 0.813,504 0.974,505 0.765,506 1.019,507 0.988,508 1.027,509 0.722,510 1.04,511 0.845,512 0.943,513 1.056,514 1.011,515 0.811,516 1.055,517 0.898,518 0.884,519 0.975,520 0.924,521 0.897,522 0.956,523 1.058,524 0.925,525 1.045,526 0.95,527 1.064,528 0.988,529 1.242,530 0.945,531 1.1,532 0.947,533 1.23,534 0.991,535 2.5,536 0.083,537 1.556,538 0.688,539 0.453,540 0.226,541 0.157,542 0.084,543 0.089,544 0.09,545 3080,546 8899,547 2.026,548 50,549 8,550 3,552 2,553 1,554 4,558 1.577,559 1.929,560 3.149,561 -0.28,563 1,564 1,565 1,567 53.756,568 1.493,569 3.243,570 4.038,571 4.559,572 4.725,573 4.837,574 2.483,575 3.614,576 4.14,577 3.351,578 512.677,579 6.978,580 5177.52,581 1,582 1,584 1,585 186.117,586 1.224,587 4.116,588 0.132,589 0.009,590 0.065,591 0.033,592 0.025,593 0.017,594 0.013,595 0.008,596 0.009,597 0.009,598 0.32,599 0.67,600 1,601 2.206,602 79.05,603 -0.052,604 -0.194,605 0.027,606 -0.042,607 -0.022,608 -0.008,609 0.213,610 -0.113,611 -0.031,612 -0.133,613 0.236,614 -0.124,615 -0.088,616 0.033,617 -0.036,618 0.047,619 -0.06,620 0.019,621 -0.05,622 -0.063,623 -0.05,624 -0.041,625 -0.044,626 -0.046,627 -0.08,628 -0.019,629 -0.107,630 -0.057,631 -0.081,632 -0.08,633 -0.068,634 0.02,635 -0.014,636 0.025,637 -0.079,638 0.017,639 -0.117,640 0.005,641 -0.072,642 -0.002,643 -0.128,644 -0.025,645 -0.167,646 0.005,647 -0.111,648 -0.008,649 -0.153,650 -0.043,651 2.363,652 3.36,653 0.5,654 13.654,655 0.998,656 1.132,657 2.184,658 4.772,659 0.639,660 2.996,661 3.219,662 3.401,663 3.611,664 3.664,665 3.638,666 3.638,667 3.638,668 3.401,669 3.367,670 5.696,671 0.602,672 246.34,673 2.996,674 4.466,675 5.263,676 6.094,677 6.917,678 7.76,679 8.598,680 9.449,681 10.296,682 11.153,683 5.6,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 36,726 11,728 19,730 37,731 14,733 7,739 2,740 3,751 6,753 8,754 6,756 1,761 1,765 1,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 18,845 1,846 6,862 5.6,864 1,865 1,869 9.333,870 6.183,871 4.139,872 2.364,874 2.117,875 1.349,876 0.925,877 4.623,878 8.173,879 3.258,880 3.79,881 4.332,882 4.924,883 5.31,884 5.554,885 5.837,886 6.115,887 5.525,888 5.542,889 0.833,890 21,891 6.638,893 2.696,894 7.833,895 12.829,897 10.262,899 2.333,900 42,901 0.002,904 200.109,905 67.113,906 18.072,908 67.828,911 67.113,912 267.937,913 18.072,915 15.207,916 28.429,917 117.684,918 10.334,919 4.901,920 176.567,922 200.109,923 85.185,924 67.828,927 200.109,928 67.828,931 34.16,932 34.24,933 16.786,935 200.109,936 85.9,937 67.113,940 200.109,941 21.018,942 47.381,944 84.614,945 200.109,946 85.9,947 67.113,949 0.553,950 0.298,951 0.16,952 0.077,953 10,954 4,955 0.189,956 7,957 1,958 1.222,959 3.206,960 114.162,961 0.222,962 9,963 75.059,968 12.938,969 6.433,970 3.75,971 1.123,972 84.614,973 9.914,974 4.137,978 1.267,980 42.683,981 353.122,982 25,987 10.36,991 -0.696,994 35.927,995 40.737,996 0.289,997 0.627,998 0.781,999 0.882,1000 0.914,1001 0.936,1002 4.425,1003 0.635,1004 5.187,1005 2.225,1006 3.892,1007 4.472,1008 2.258,1009 5.9,1010 3.829,1011 5.586,1012 0.213,1013 6.676,1014 1.483,1015 3.219,1016 4.205,1017 2.243,1018 6.676,1019 3.088,1020 6.859,1021 -0.351,1022 8.277,1023 0.464,1024 5.361,1025 6.672,1026 3.628,1027 9.782,1028 5.213,1029 8.179,1030 -0.776,1031 9.952,1032 -0.801,1033 5.602,1034 7.38,1035 4.112,1036 11.53,1037 5.348,1038 9.541,1039 -1,1040 11.681,1041 -1.751,1042 7.149,1043 9.269,1044 5.201,1045 14.124,1046 6.883,1047 10.935,1048 -1,1049 13.447,1050 -2,1051 7.849,1052 10.422,1053 5.889,1054 16.232,1055 7.467,1056 12.354,1057 -1.292,1058 15.241,1059 -2.427,1060 9.14,1061 12.082,1062 6.849,1063 18.659,1064 8.734,1065 3.045,1066 -1.593,1067 17.055,1068 -2.989,1069 10.065,1070 13.432,1071 7.625,1072 20.899,1073 9.553,1074 2.237,1075 10.214,1076 18.884,1077 -4.124,1078 11.247,1079 14.997,1080 8.526,1081 23.264,1082 10.697,1083 2.134,1084 6.251,1085 20.724,1086 4.457,1087 12.277,1088 16.43,1089 9.342,1090 25.554,1091 11.635,1092 1.673,1093 5.184,1094 22.572,1095 2.877,1096 13.416,1097 17.955,1098 10.216,1099 27.896,1100 12.725,1101 1.548,1102 3.718,1103 24.426,1104 2.71,1105 14.492,1106 19.423,1107 11.051,1108 30.205,1109 13.721,1110 1.099,1111 3.416,1112 26.284,1113 2.321,1114 15.615,1115 20.931,1116 11.912,1117 32.537,1118 14.788,1119 1,1120 2.356,1121 28.146,1122 1.75,1123 16.712,1124 22.414,1125 12.755,1126 34.854,1127 15.813,1128 3133,1129 5386,1130 12.712,1131 23.012,1132 27.287,1133 27.635,1134 27.591,1135 27.181,1136 27.168,1137 35.775,1138 4.682,1139 70.622,1140 26.34,1141 5.434,1142 5.596,1143 6.339,1144 5.033,1145 5.045,1146 7.457,1147 3.925,1148 16.989,1149 4.839,1150 7.719,1151 1.436,1152 1.454,1153 1.452,1154 1.431,1155 1.43,1156 1.883,1157 0.246,1158 3.717,1159 1.386,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.474,1165 3.996,1166 3.762,1167 3.817,1168 3.622,1169 3.627,1170 6.351,1171 3.614,1172 3.534,1173 3.58,1174 3.411,1175 3.366,1176 5.051,1177 3.365,1178 3.333,1179 3.388,1180 3.23,1181 3.175,1182 4.377,1183 3.181,1184 3.181,1185 3.232,1186 3.034,1187 2.984,1188 4.123,1189 2.99,1190 2.892,1191 2.953,1192 2.729,1193 2.68,1194 3.856,1195 2.686,1196 2.626,1197 2.717,1198 2.371,1199 2.365,1200 3.572,1201 2.359,1202 2.348,1203 2.471,1204 2.163,1205 2.051,1206 3.287,1207 2.043,1208 0.237,1209 0.189,1210 0.343,1211 0.21,1212 0.16,1213 4.509,1214 0.235,1215 3.596,1216 0.123,1217 6.512,1218 0.538,1219 3.986,1220 0.151,1221 3.045,1222 4.457,1223 2.341,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.076,1229 2.089,1230 1.391,1231 2.084,1232 1.746,1233 1.692,1234 1.965,1235 1.912,1236 1.199,1237 1.935,1238 1.496,1239 1.445,1240 1.74,1241 1.694,1242 0.987,1243 1.706,1244 1.321,1245 1.259,1246 1.497,1247 1.562,1248 0.667,1249 1.543,1250 1.096,1251 1.035,1252 1.374,1253 1.378,1254 0.404,1255 1.376,1256 1.01,1257 0.95,1258 1.221,1259 1.198,1260 0.3,1261 1.213,1262 0.752,1263 0.684,1264 1.098,1265 1.073,1266 0.235,1267 1.085,1268 0.489,1269 0.4,1270 0.884,1271 0.818,1273 0.855,1274 3.664,1276 4.905,1277 2.398,1278 6.33,1279 4.595,1280 7.857,1281 6.605,1282 9.448,1289 8.532,1290 5.254,1300 21.687,1301 53.756,1302 116.733,1303 145.362,1304 164.117,1305 170.117,1306 174.117,1307 28.14,1308 6.057,1309 54.6,1310 54.6,1311 11,1312 11.709,1313 3.585,1314 2.807,1315 31.427,1316 61,1317 58,1318 0.251,1319 137.221,1320 230.62,1321 326.578,1322 3002,1324 12.795,1325 0.711,1326 0.577,1327 12.795,1328 10.379,1329 8.771,1330 0.462,1331 0.336,1332 6.319,1333 8.458,1334 6.21,1335 5.179,1336 8.771,1337 6.389,1338 7.431,1339 0.31,1340 0.188,1341 7.431,1342 4.514,1343 5.58,1344 0.192,1345 0.107,1346 5.58,1347 3.106,1348 4.572,1349 0.127,1350 0.06,1351 4.572,1352 2.146,1353 3.232,1354 0.085,1355 0.036,1356 3.232,1357 1.351,1358 0.406,1359 54.817,1360 0.28,1361 18.74,1362 0.65,1363 86,1364 255.175,1365 94.619,1366 245.716,1367 325.9,1368 228,1369 96,1370 231.653,1371 103.515,1372 233.125,1373 333.23,1374 219,1375 8.284} {0 CHEMBL45932,1 1.464,2 9.789,3 2.951,4 8.708,5 73.98,6 6.676,7 0.5,8 3.729,9 3.855,10 3.199,11 3.223,12 4.749,13 3.186,14 4.288,15 4.484,16 3.473,17 3.573,18 5.277,19 3.498,20 4.503,21 4.756,22 3.392,23 3.652,24 5.354,25 3.536,26 4.458,27 4.698,28 3.301,29 3.615,30 5.374,31 3.483,32 4.451,33 4.719,34 3.031,35 3.506,36 5.283,37 3.33,38 4.326,39 4.617,40 2.92,41 3.367,42 5.068,43 3.186,44 4.183,45 4.462,46 2.843,47 3.243,48 4.982,49 3.079,50 4.05,51 4.332,52 2.85,53 3.119,54 4.912,55 2.964,56 0.014,57 0.544,58 8.948,59 3.67,60 5.294,61 5.127,62 0.242,63 0.846,64 16.629,65 5.899,66 23.646,67 8.504,68 0.253,69 0.94,70 21.116,71 7.109,72 26.81,73 10.384,74 0.208,75 0.91,76 19.988,77 6.951,78 30.953,79 10.103,80 0.251,81 0.848,82 20.133,83 6.696,84 34.48,85 9.885,86 0.193,87 0.738,88 17.697,89 6.001,90 23.956,91 8.97,92 0.175,93 0.646,94 15.326,95 5.108,96 21.849,97 7.608,98 0.194,99 0.565,100 13.346,101 4.6,102 17.897,103 6.882,104 13,105 25,106 0.265,107 0.578,108 0.785,109 0.861,110 0.879,111 0.879,112 3.007,113 1.03,114 -3.67,115 -3.64,116 -3.46,118 38.5,119 1,120 5,124 1,140 3,143 1,150 2,154 1,156 1,168 6,171 2,172 6,180 5,186 5,194 4,198 7,206 5,210 4,218 4,222 4,229 4,234 1,242 3,246 2,247 3,255 2,259 2,270 442,271 13.113,272 13.113,273 13.113,274 13.113,275 13.113,276 11.801,277 8.871,278 8.259,279 13.471,280 9.863,281 9.863,282 9.863,283 9.863,284 9.863,285 7.848,286 4.98,287 3.842,288 10.333,289 3.822,290 2.095,291 0.949,292 0.532,293 0.43,294 0.43,295 3.671,298 1,299 1,300 1,301 389,302 3.391,305 42.375,306 54.355,309 80.894,313 1.529,314 14.182,315 1,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 41,326 186,327 4.509,328 3.681,329 6.512,330 3.986,331 3.045,332 4.457,333 2.443,334 10.214,335 2.865,336 3.655,337 3.117,338 5.203,339 3.351,340 2.373,341 2.877,342 0.286,343 6.252,344 2.299,345 3.499,346 2.291,347 5.029,348 3.113,349 2.134,350 2.825,352 6.065,353 2.087,354 3.048,355 1.825,356 4.138,357 2.594,358 1.609,359 2.321,361 3.712,362 1.58,363 2.677,364 1.675,365 3.715,366 2.515,367 1.548,368 1.679,370 3.316,371 1.494,372 2.5,373 1.548,374 3.416,375 2.054,376 1.118,377 1.5,379 2.252,380 1.035,381 2.204,382 1.124,383 3.313,384 1.923,385 1,386 1.172,388 2.191,389 0.921,390 2.09,391 1,392 3.066,393 1.809,394 0.829,395 0.985,397 1.622,398 0.805,399 1.777,400 0.72,401 2.723,402 1.462,403 0.485,404 0.606,406 1.041,407 0.472,408 1.14,409 0.339,410 2.355,411 0.903,412 -0.093,413 -0.106,415 -0.201,416 -0.092,417 0.737,418 0.056,419 2.152,420 0.427,421 -0.532,422 -0.593,424 -0.877,425 -0.507,426 0.63,427 -0.346,428 1.761,429 0.366,430 -0.657,431 -0.831,433 -1.414,434 -0.661,435 0.5,436 -0.829,437 1.561,438 -0.047,439 -1,440 -1.36,442 -2.423,443 -0.946,444 0.088,445 -1,446 1.482,447 -0.111,448 -1.124,449 -1.5,451 -2.583,452 -1.142,453 -0.105,454 -1.029,455 1.271,456 -0.548,457 -1.525,458 -1.826,460 -3.382,461 -1.418,462 8.967,463 0.472,464 0.277,465 0.015,466 21.5,467 1.132,468 9.5,469 0.5,470 12,471 0.632,472 14.993,473 0.789,474 21.633,475 0.555,476 12.443,477 0.655,478 4.027,479 0.212,480 5.282,481 0.278,482 0.093,484 0.212,487 0.739,488 1.536,489 0.875,490 1.311,491 0.547,492 1.141,493 0.804,494 1.194,495 0.97,496 1.121,497 0.546,498 1.075,499 1.148,500 0.887,501 0.974,502 0.86,503 0.944,504 0.888,505 1.089,506 1.099,507 1.114,508 1.098,509 1.281,510 1.111,511 1.144,512 0.976,513 1.182,514 1.043,515 1.392,516 1.109,517 0.855,518 0.889,519 0.958,520 0.929,521 0.861,522 0.955,523 0.986,524 0.923,525 1.015,526 0.953,527 0.975,528 0.982,529 0.466,530 0.923,531 0.797,532 0.987,533 0.607,534 0.949,535 2.5,536 0.073,537 1.778,538 0.813,539 0.453,540 0.226,541 0.116,542 0.115,543 0.113,544 0.1,545 3591,546 9254,547 2.025,548 51.3,549 6,550 5,552 2,554 4,555 3,558 1.593,559 1.932,560 3.241,561 -0.776,563 1,565 1,567 57.089,568 1.464,569 3.19,570 4.336,571 4.753,572 4.856,573 4.856,574 2.669,575 4.143,576 4.22,577 3.431,578 586.652,579 7.139,580 6189.34,581 1,582 1,583 1,584 1,585 206.131,586 1.19,587 4.196,588 0.125,589 0.007,590 0.071,591 0.035,592 0.023,593 0.016,594 0.009,595 0.01,596 0.009,597 0.008,598 0.313,599 0.67,600 1,601 2.354,602 85.397,603 0.012,604 -0.279,605 0.059,606 -0.138,607 0.023,608 -0.05,609 0.169,610 -0.079,611 0.002,612 -0.078,613 0.134,614 -0.067,615 -0.13,616 0.092,617 0.005,618 0.12,619 -0.065,620 0.088,621 -0.129,622 -0.1,623 -0.148,624 -0.097,625 -0.111,626 -0.123,627 -0.166,628 -0.036,629 -0.212,630 -0.086,631 -0.201,632 -0.146,633 -0.053,634 0.017,635 -0.006,636 0.023,637 -0.065,638 0.017,639 -0.09,640 0.004,641 -0.051,643 -0.082,644 -0.016,645 0.297,646 0.006,647 0.153,648 -0.026,649 0.14,650 0.031,651 1.751,652 4.182,653 0.474,654 14.698,655 0.995,656 1.132,657 2.441,658 5.957,659 0.635,660 3.045,661 3.258,662 3.466,663 3.664,664 3.689,665 3.664,666 3.664,667 3.689,668 3.466,669 3.466,670 5.949,671 0.595,672 260.37,673 3.045,674 4.511,675 5.313,676 6.142,677 6.967,678 7.808,679 8.645,680 9.494,681 10.339,682 11.194,683 5.1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 39,726 11,728 20,730 40,731 15,733 7,739 2,740 3,745 1,751 5,753 8,754 7,756 1,761 1,765 1,768 1,769 1,772 20,773 3,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,819 1,832 1,836 1,840 19,846 6,848 1,862 5.1,865 1,867 1,869 9.833,870 7.15,871 4.472,872 2.689,874 2.101,875 1.342,876 0.936,877 5.253,878 8.243,879 3.296,880 3.812,881 4.371,882 4.946,883 5.315,884 5.558,885 5.84,886 6.126,887 5.558,888 5.605,889 1,890 23,891 7.022,893 2.801,894 7.684,895 13.662,897 10.707,899 2.184,900 41.5,901 0.001,904 235.422,905 84.277,906 18.072,908 36.145,911 84.277,912 271.567,913 18.072,914 8.825,915 17.265,916 28.429,917 81.283,918 21.334,919 4.901,920 211.88,922 235.422,923 102.349,924 36.145,927 200.109,928 71.458,931 45.043,932 40.521,933 16.786,935 235.422,936 54.217,937 84.277,940 235.422,941 29.357,942 56.206,944 52.93,945 235.422,946 54.217,947 84.277,949 0.546,950 0.312,951 0.17,952 0.075,953 10,954 4,955 0.2,956 8,957 1,958 1.222,959 3.307,960 122.755,961 0.222,962 9,963 80.711,968 13.914,969 7.173,970 3.983,971 1.129,972 52.93,973 9.954,974 4.152,978 1.27,981 373.916,982 26,987 11.182,991 -0.084,994 38.811,995 44.152,996 0.277,997 0.604,998 0.82,999 0.899,1000 0.919,1001 0.919,1002 4.46,1003 0.829,1004 5.231,1005 2.191,1006 3.932,1007 4.494,1008 2.402,1009 5.948,1010 3.848,1011 5.612,1012 0.485,1013 6.723,1014 1.622,1015 3.219,1016 4.205,1017 2.243,1018 6.72,1019 3.088,1020 6.883,1021 -0.093,1022 8.326,1023 1.041,1024 5.407,1025 6.689,1026 3.841,1027 9.828,1028 5.228,1029 8.203,1030 -0.532,1031 10.003,1032 -0.201,1033 5.638,1034 7.392,1035 4.269,1036 11.562,1037 5.376,1038 9.566,1039 -0.657,1040 11.731,1041 -0.877,1042 7.197,1043 9.281,1044 5.486,1045 14.15,1046 6.902,1047 10.961,1048 -1,1049 13.495,1050 -1.414,1051 7.892,1052 10.432,1053 6.158,1054 16.248,1055 7.502,1056 12.38,1057 -1.124,1058 15.285,1059 -2.423,1060 9.182,1061 12.089,1062 7.208,1063 18.67,1064 8.757,1065 3.045,1066 -1.525,1067 17.094,1068 -2.583,1069 10.101,1070 13.437,1071 7.992,1072 20.905,1073 9.584,1074 2.373,1075 10.214,1076 18.918,1077 -3.382,1078 11.281,1079 15,1080 8.963,1081 23.269,1082 10.719,1083 2.134,1084 6.252,1085 20.753,1086 4.457,1087 12.305,1088 16.432,1089 9.802,1090 25.557,1091 11.66,1092 1.609,1093 6.065,1094 22.596,1095 2.877,1096 13.44,1097 17.956,1098 10.734,1099 27.897,1100 12.744,1101 1.548,1102 3.712,1103 24.446,1104 2.825,1105 14.512,1106 19.424,1107 11.599,1108 30.206,1109 13.74,1110 1.118,1111 3.316,1112 26.301,1113 2.321,1114 15.632,1115 20.931,1116 12.512,1117 32.537,1118 14.803,1119 1,1120 2.252,1121 28.16,1122 1.679,1123 16.725,1124 22.415,1125 13.391,1126 34.855,1127 15.827,1128 3645,1129 5920,1130 13.405,1131 24.773,1132 28.519,1133 29.157,1134 29.229,1135 28.242,1136 28.28,1137 36.845,1138 5.458,1139 73.33,1140 27.116,1141 5.444,1142 5.681,1143 6.305,1144 5.034,1145 5.045,1146 7.457,1147 4.174,1148 16.989,1149 4.837,1150 7.925,1151 1.426,1152 1.458,1153 1.461,1154 1.412,1155 1.414,1156 1.842,1157 0.273,1158 3.666,1159 1.356,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.432,1165 3.996,1166 3.756,1167 3.804,1168 3.634,1169 3.605,1170 5.051,1171 3.599,1172 3.55,1173 3.601,1174 3.411,1175 3.348,1176 4.469,1177 3.356,1178 3.384,1179 3.455,1180 3.24,1181 3.224,1182 4.375,1183 3.216,1184 3.284,1185 3.347,1186 3.119,1187 3.127,1188 4.082,1189 3.119,1190 3.042,1191 3.095,1192 2.897,1193 2.854,1194 3.801,1195 2.857,1196 2.76,1197 2.829,1198 2.575,1199 2.536,1200 3.624,1201 2.538,1202 2.489,1203 2.606,1204 2.206,1205 2.203,1206 3.417,1207 2.189,1208 0.225,1209 0.184,1210 0.326,1211 0.199,1212 0.152,1213 4.509,1214 0.223,1215 3.681,1216 0.122,1217 6.512,1218 0.511,1219 3.986,1220 0.143,1221 3.045,1222 4.457,1223 2.443,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.072,1229 2.089,1230 1.371,1231 2.083,1232 1.722,1233 1.671,1234 1.938,1235 1.901,1236 1.158,1237 1.914,1238 1.504,1239 1.449,1240 1.804,1241 1.744,1242 0.946,1243 1.763,1244 1.394,1245 1.326,1246 1.651,1247 1.593,1248 0.891,1249 1.609,1250 1.268,1251 1.197,1252 1.458,1253 1.516,1254 0.529,1255 1.512,1256 1.015,1257 0.954,1258 1.25,1259 1.223,1260 0.341,1261 1.232,1262 0.933,1263 0.87,1264 1.221,1265 1.191,1266 0.3,1267 1.207,1268 0.605,1269 0.528,1270 1.015,1271 0.927,1272 0.12,1273 0.96,1274 3.714,1276 4.949,1277 2.398,1278 6.375,1279 4.595,1280 7.904,1281 6.605,1282 9.495,1284 1.837,1290 5.042,1292 4.903,1300 23.214,1301 57.089,1302 124.408,1303 169.111,1304 185.376,1305 189.376,1306 189.376,1307 28.657,1308 6.142,1309 43.6,1310 43.6,1311 11,1312 11.751,1313 3.585,1314 2.807,1315 34.102,1316 68,1317 70,1318 0.244,1319 146.813,1320 247.92,1321 349.983,1322 3386,1324 13.502,1325 0.711,1326 0.597,1327 13.502,1328 11.34,1329 9.309,1330 0.465,1331 0.343,1332 6.777,1333 8.923,1334 6.625,1335 5.531,1336 9.309,1337 6.866,1338 7.578,1339 0.303,1340 0.183,1341 7.578,1342 4.571,1343 6.027,1344 0.194,1345 0.102,1346 6.027,1347 3.151,1348 4.972,1349 0.131,1350 0.058,1351 4.972,1352 2.196,1353 3.311,1354 0.085,1355 0.034,1356 3.311,1357 1.344,1358 0.396,1359 58.376,1360 0.273,1361 19.692,1362 0.629,1363 90,1364 270.761,1365 100.058,1366 255.142,1367 344.34,1368 240,1369 101,1370 248.077,1371 110.176,1372 246.896,1373 356.45,1374 233,1375 6.481} {0 CHEMBL460291,1 1.436,2 10.333,3 3.986,4 15.889,5 129.298,6 6.903,7 0.176,8 4.244,9 4.351,10 3.717,11 3.73,12 5.366,13 3.703,14 4.784,15 4.961,16 4.089,17 4.073,18 5.936,19 4.036,20 4.998,21 5.169,22 4.184,23 4.267,24 6.06,25 4.222,26 5.148,27 5.332,28 4.374,29 4.388,30 6.356,31 4.345,32 5.242,33 5.401,34 4.402,35 4.469,36 6.456,37 4.427,38 5.324,39 5.514,40 4.479,41 4.52,42 6.546,43 4.459,44 5.416,45 5.626,46 4.284,47 4.501,48 6.512,49 4.408,50 5.334,51 5.569,52 4.114,53 4.42,54 6.327,55 4.287,56 0.036,57 0.842,58 14.609,59 6.68,60 13.107,61 8.52,62 0.502,63 1.298,64 27.274,65 10.31,66 57.085,67 13.846,68 0.499,69 1.599,70 34.14,71 12.221,72 59.214,73 16.07,74 0.56,75 1.818,76 39.622,77 14.68,78 82.805,79 19.505,80 0.642,81 1.971,82 43.88,83 15.621,84 110.958,85 20.1,86 0.753,87 2.172,88 47.344,89 17.078,90 113.705,91 23.32,92 0.89,93 2.23,94 53.77,95 17.608,96 129.124,97 23.862,98 0.585,99 2.059,100 48.871,101 17.466,102 90.45,103 24.197,104 130,105 48,106 0.23,107 0.545,108 0.713,109 0.797,110 0.816,111 0.831,112 3.532,113 0.97,114 -3.91,115 -3.87,116 -3.67,118 39.4,119 7,121 1,124 2,129 1,133 2,134 2,136 1,137 1,140 4,141 2,152 1,154 2,168 11,171 2,172 14,175 1,177 1,180 19,186 6,191 1,194 16,197 3,198 16,201 1,203 4,206 21,210 12,215 2,218 14,221 2,222 23,225 2,227 4,229 15,234 14,239 2,242 14,247 3,252 1,255 17,258 8,259 4,262 2,267 13,270 2137,271 21.206,272 21.206,273 21.206,274 21.206,275 21.206,276 19.256,277 26.245,278 12.587,279 21.72,280 16.692,281 16.692,282 16.692,283 16.692,284 16.692,285 13.629,286 31.188,287 5.766,288 17.285,289 4.609,290 2.638,291 1.589,292 1.065,293 0.944,294 0.853,295 4.19,299 1,300 1,301 676,302 5.05,306 226.195,313 1.475,314 46.068,317 1,318 0.67,319 0.83,320 1,321 1,322 1,323 1,324 0.93,325 72.5,326 341,327 4.678,328 3.905,329 7.179,330 4.37,331 3.376,332 4.177,333 1.674,334 12.613,335 3.353,336 4.196,337 3.71,338 6.445,339 4.07,340 3.131,341 3.761,342 1.674,343 10.151,344 2.93,345 4.137,346 3.494,347 6.298,348 3.758,349 2.764,350 3.489,351 1.36,352 9.203,353 2.745,354 4.104,355 3.145,356 6.197,357 3.692,358 2.702,359 3.231,360 1.216,361 9.077,362 2.667,363 3.578,364 3.017,365 5.184,366 3.195,367 2.192,368 2.756,369 1.045,370 6.069,371 2.178,372 3.49,373 2.851,374 5.006,375 3.072,376 2.116,377 2.658,378 0.391,379 5.758,380 2.011,381 3.148,382 2.417,383 4.875,384 2.813,385 1.831,386 2.249,388 5.29,389 1.791,390 3.019,391 2.28,392 4.692,393 2.715,394 1.758,395 2.111,397 4.622,398 1.671,399 2.948,400 1.809,401 4.166,402 2.48,403 1.481,404 2.069,406 3.439,407 1.478,408 2.488,409 1.577,410 3.629,411 2.163,412 1.202,413 1.473,415 2.865,416 1.148,417 2.317,418 1.508,419 3.41,420 1.937,421 1,422 1.061,424 1.742,425 0.924,426 2.115,427 1.291,428 3.256,429 1.829,430 0.86,431 1.008,433 1.535,434 0.824,435 2.023,436 0.905,437 3.218,438 1.601,439 0.607,440 0.892,442 1.361,443 0.598,444 1.26,445 0.782,446 2.774,447 1.079,448 0.08,449 0.087,451 0.183,452 0.079,453 1.186,454 0.67,455 2.704,456 0.823,457 -0.154,458 -0.184,460 -0.401,461 -0.149,462 15.4,463 0.467,464 1.091,465 0.033,466 34.75,467 1.053,468 15,469 0.455,470 19.75,471 0.598,472 38.936,473 1.18,474 38,475 0.576,476 33.026,477 1.001,478 7.041,479 0.213,480 8.454,481 0.256,482 0.292,483 0.032,484 0.325,487 0.792,488 1.344,489 0.869,490 1.276,491 0.741,492 1.116,493 0.724,494 1.034,495 0.715,496 0.947,497 0.476,498 0.847,499 1.349,500 0.972,501 1.082,502 0.93,503 0.971,504 0.943,505 0.978,506 1.005,507 0.84,508 1.001,509 1.133,510 0.913,511 1.517,512 1.114,513 1.164,514 1.07,515 1.833,516 1.053,517 0.816,518 1.218,519 0.914,520 1.17,521 0.766,522 1.073,523 1.428,524 1.032,525 1.243,526 1.042,527 1.372,528 1.092,529 0.975,530 1.115,531 1.084,532 1.147,533 0.976,534 1.141,535 8,536 0.393,537 3.778,538 3.438,539 2.498,540 2.118,541 1.122,542 0.868,543 0.58,544 0.379,545 11414,546 31673,547 1.872,548 50,549 1,550 10,553 1,554 3,555 18,558 1.764,559 1.685,560 3.263,561 -0.382,567 94.744,568 1.436,569 3.407,570 4.455,571 4.979,572 5.1,573 5.191,574 2.677,575 4.09,576 5.011,577 3.505,578 1850.39,579 8.844,580 26814.1,585 398.93,586 1.727,587 4.918,588 0.235,589 0.015,590 0.079,591 0.065,592 0.04,593 0.033,594 0.017,595 0.016,596 0.013,597 0.011,598 0.524,599 0.33,600 1,601 1.924,602 171.274,603 -0.03,604 -0.118,605 0.031,606 -0.079,607 -0.1,608 -0.022,609 0.232,610 0.052,611 0.249,612 0.12,613 0.219,614 0.177,615 -0.215,616 0.133,617 -0.09,618 0.111,619 -0.161,620 0.05,621 0.053,622 0.063,623 0.138,624 0.045,625 0.057,626 0.095,627 -0.232,628 -0.045,629 -0.152,630 -0.026,631 -0.263,632 -0.068,633 0.157,634 -0.149,635 0.057,636 -0.136,637 0.183,638 -0.068,639 -0.23,640 -0.022,641 -0.228,642 -0.068,643 -0.195,644 -0.133,645 -0.083,646 -0.137,647 -0.119,648 -0.146,649 -0.079,650 -0.141,651 2.191,652 5.973,653 0.364,654 31.886,655 1.003,656 1.127,657 2.682,658 7.194,659 0.635,660 3.555,661 3.892,662 4.094,663 4.419,664 4.625,665 4.771,666 4.796,667 4.852,668 4.804,669 4.71,670 6.456,671 0.602,672 455.6,673 3.555,674 5.106,675 5.938,676 6.843,677 7.708,678 8.626,679 9.508,680 10.43,681 11.323,682 12.247,683 1.5,692 1,699 4,704 2,706 6,724 66,726 12,727 1,728 34,730 67,731 26,733 6,734 2,735 4,736 9,739 2,740 2,745 7,749 1,753 15,754 11,755 2,756 6,761 2,763 2,764 1,765 7,772 33,773 7,774 1,775 7,779 1,784 1,785 6,802 2,812 1,819 2,822 3,823 2,830 1,831 1,832 2,836 7,840 33,845 1,846 2,848 3,850 1,852 1,862 9.1,864 1,865 2,866 1,867 2,869 19.583,870 14.067,871 7.431,872 4.157,874 2.863,875 1.392,876 0.883,877 9.211,878 10.168,879 3.784,880 4.324,881 4.802,882 5.347,883 5.849,884 6.184,885 6.505,886 6.815,887 7.058,888 7.167,889 0.857,890 53,891 12.302,893 5.087,894 7.927,895 22.902,897 17.74,899 2.427,900 80.083,904 376.675,905 161.477,906 16.786,908 125.973,911 161.477,912 502.648,913 16.786,914 61.776,915 9.185,916 56.857,917 123.869,918 52.547,920 376.675,922 376.675,923 178.262,924 125.973,927 164.795,928 326.853,929 11,931 87.747,932 68.807,933 21.709,935 376.675,936 142.758,937 161.477,940 376.675,941 42.843,942 118.634,944 142.758,945 376.675,946 142.758,947 161.477,949 0.577,950 0.319,951 0.19,952 0.103,953 19,954 12,955 0.149,956 10,958 1,959 3.909,960 303.243,962 12,963 159.71,968 26.563,969 11.443,970 6.895,972 142.758,973 7.317,978 1.37,980 42.683,981 680.911,982 43,987 25.231,989 2.984,990 4.478,991 0.402,994 66.203,995 74.398,996 0.237,997 0.564,998 0.737,999 0.824,1000 0.844,1001 0.859,1002 5.053,1003 1.758,1004 5.979,1005 5.29,1006 4.575,1007 5.011,1008 3.017,1009 6.855,1010 4.52,1011 6.288,1012 1.481,1013 7.585,1014 4.622,1015 4.443,1016 4.956,1017 1.06,1018 8.055,1019 4.379,1020 7.624,1021 1.202,1022 9.302,1023 3.439,1024 6.263,1025 7.147,1026 3.763,1027 11.119,1028 6.162,1029 8.993,1030 1,1031 11.081,1032 2.865,1033 6.889,1034 7.827,1035 1.679,1036 13.095,1037 6.774,1038 10.391,1039 0.86,1040 12.899,1041 1.742,1042 8.275,1043 9.571,1044 4.652,1045 15.764,1046 8.134,1047 11.81,1048 0.607,1049 14.744,1050 1.535,1051 9.22,1052 10.594,1053 2.248,1054 18.05,1055 9.063,1056 13.246,1057 0.08,1058 16.608,1059 1.361,1060 10.46,1061 12.152,1062 5.607,1063 20.6,1064 10.284,1065 3.376,1066 -0.154,1067 18.487,1068 0.183,1069 11.542,1070 13.352,1071 2.825,1072 23.019,1073 11.35,1074 3.131,1075 12.613,1076 20.378,1077 -0.401,1078 12.736,1079 14.825,1080 6.597,1081 25.538,1082 12.53,1083 2.764,1084 10.151,1085 22.279,1086 4.177,1087 13.876,1088 16.12,1089 3.415,1090 28.015,1091 13.657,1092 2.702,1093 9.203,1094 24.187,1095 3.761,1096 15.061,1097 17.556,1098 7.605,1099 30.531,1100 14.831,1101 2.192,1102 9.077,1103 26.102,1104 3.489,1105 16.228,1106 18.902,1107 4.015,1108 33.035,1109 15.989,1110 2.116,1111 6.069,1112 28.023,1113 3.231,1114 17.413,1115 20.322,1116 8.623,1117 35.555,1118 17.166,1119 1.831,1120 5.758,1121 29.95,1122 2.756,1123 18.594,1124 21.698,1125 4.622,1126 38.073,1127 18.341,1128 11991,1129 20127,1130 20.69,1131 41.915,1132 51.6,1133 53.026,1134 53.7,1135 50.206,1136 50.199,1137 62.042,1138 14.721,1139 147.816,1140 48.791,1141 5.586,1142 5.905,1143 6.948,1144 5.409,1145 5.376,1146 7.177,1147 3.349,1148 20.169,1149 5.353,1150 24.014,1151 1.518,1152 1.56,1153 1.579,1154 1.477,1155 1.476,1156 1.825,1157 0.433,1158 4.348,1159 1.435,1160 4.044,1161 4.064,1162 4.003,1163 3.979,1164 7.435,1165 3.981,1166 3.82,1167 3.845,1168 3.767,1169 3.719,1170 7.431,1171 3.727,1172 3.736,1173 3.776,1174 3.632,1175 3.571,1176 6.473,1177 3.575,1178 3.578,1179 3.609,1180 3.492,1181 3.36,1182 4.819,1183 3.38,1184 3.493,1185 3.56,1186 3.351,1187 3.336,1188 4.684,1189 3.335,1190 3.461,1191 3.493,1192 3.327,1193 3.274,1194 4.559,1195 3.269,1196 3.328,1197 3.397,1198 3.144,1199 3.179,1200 4.484,1201 3.16,1202 3.187,1203 3.251,1204 3.028,1205 3.014,1206 4.442,1207 3.006,1208 0.138,1209 0.115,1210 0.211,1211 0.129,1212 0.099,1213 4.678,1214 0.123,1215 3.905,1216 0.049,1217 7.179,1218 0.371,1219 4.37,1220 0.099,1221 3.376,1222 4.177,1223 1.674,1224 12.613,1225 3.353,1226 2,1227 1.981,1228 2.084,1229 2.079,1230 1.306,1231 2.08,1232 1.787,1233 1.762,1234 1.948,1235 1.926,1236 1.119,1237 1.927,1238 1.698,1239 1.653,1240 1.902,1241 1.881,1242 1.011,1243 1.894,1244 1.511,1245 1.467,1246 1.807,1247 1.768,1248 0.941,1249 1.774,1250 1.468,1251 1.405,1252 1.792,1253 1.717,1254 0.93,1255 1.742,1256 1.438,1257 1.396,1258 1.645,1259 1.6,1260 0.742,1261 1.6,1262 1.345,1263 1.28,1264 1.608,1265 1.539,1266 0.626,1267 1.577,1268 1.174,1269 1.107,1270 1.46,1271 1.399,1272 0.598,1273 1.418,1274 4.234,1276 5.565,1278 7.083,1280 8.703,1282 10.387,1284 12.355,1289 10.738,1290 0.439,1292 16.088,1294 -0.701,1296 -0.617,1300 39.739,1301 94.744,1302 224.844,1303 294.062,1304 328.626,1305 336.626,1306 342.626,1307 121.597,1308 7.305,1309 94.42,1310 94.42,1311 12,1312 12.759,1313 3.7,1314 3.322,1315 79.898,1316 119,1317 142,1318 0.317,1319 249.81,1320 462.72,1321 601.296,1322 13304,1324 24.759,1325 0.75,1326 0.618,1327 24.759,1328 20.391,1329 15.495,1330 0.456,1331 0.323,1332 10.838,1333 14.79,1334 10.285,1335 8.681,1336 15.495,1337 10.991,1338 14.61,1339 0.304,1340 0.177,1341 14.61,1342 8.497,1343 10.202,1344 0.173,1345 0.082,1346 10.202,1347 4.812,1348 9.41,1349 0.115,1350 0.044,1351 9.41,1352 3.631,1353 6.635,1354 0.066,1355 0.023,1356 6.635,1357 2.349,1358 0.48,1359 97.691,1360 0.22,1361 29.884,1362 0.927,1363 164,1364 538.472,1365 184.985,1366 502.873,1367 671.55,1368 468,1369 189,1370 483.302,1371 205.948,1372 483.412,1373 705.01,1374 452,1375 5.771} {0 CHEMBL460382,1 1.481,2 6.688,3 2.69,4 7.234,5 68.561,6 8.155,7 0.833,8 3.442,9 3.549,10 3.186,11 3.135,12 4.489,13 3.06,14 3.94,15 4.098,16 3.5,17 3.527,18 4.898,19 3.419,20 4.084,21 4.293,22 3.29,23 3.532,24 4.891,25 3.367,26 4.077,27 4.3,28 3.179,29 3.458,30 4.872,31 3.274,32 4.041,33 4.306,34 2.918,35 3.275,36 4.777,37 3.063,38 3.758,39 4.014,40 2.924,41 3.049,42 4.588,43 2.906,44 3.54,45 3.757,46 2.905,47 2.981,48 4.507,49 2.838,50 3.351,51 3.584,52 2.557,53 2.662,54 4.256,55 2.433,56 0.019,57 0.393,58 5.486,59 2.563,60 5.199,61 3.25,62 0.105,63 0.68,64 11.255,65 4.459,66 8.887,67 5.433,68 0.08,69 0.734,70 14.653,71 5.953,72 9.306,73 7.508,74 0.066,75 0.716,76 13.942,77 5.89,78 10.751,79 7.668,80 0.092,81 0.712,82 16.493,83 6.138,84 12.234,85 7.631,86 0.084,87 0.551,88 12.454,89 4.326,90 9.487,91 5.425,92 0.053,93 0.435,94 7.945,95 3.158,96 8.93,97 4.017,98 0.062,99 0.382,100 9.33,101 3.1,102 8.758,103 3.551,105 24,106 0.283,107 0.646,108 0.824,109 0.878,110 0.892,111 0.892,112 2.853,113 1.037,114 -3.9,115 -3.86,116 -3.66,118 46.4,120 1,124 1,140 4,141 2,143 1,149 2,150 1,156 1,168 6,171 1,172 1,180 10,186 1,194 8,198 3,206 4,210 3,222 4,234 2,247 2,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.497,277 6.55,278 6.856,279 11.663,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.324,286 3.971,287 3.252,288 9.516,289 3.326,290 1.429,291 0.5,292 0.214,293 0.143,294 0.143,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 4.164,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 33,326 107,327 4.51,328 3.123,329 6.512,330 4.017,331 3.047,332 4.457,334 10.216,335 2.957,336 3.921,337 2.647,338 5.374,339 3.455,340 2.541,341 3.48,343 7.037,344 2.323,345 3.484,346 2.234,347 5.172,348 3.022,349 2.087,350 2.869,352 6.181,353 1.934,354 3.048,355 1.548,356 4.128,357 2.539,358 1.548,359 2.321,361 3.687,362 1.531,363 2.676,364 1.377,365 3.557,366 2.241,367 1.311,368 1.736,370 2.841,371 1.215,372 2.5,373 1,374 3.405,375 1.924,376 1,377 1.5,379 2.235,380 0.906,381 2.165,382 0.891,383 3.237,384 1.697,385 0.79,386 1.049,388 1.907,389 0.702,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.648,400 0.322,401 2.829,402 1.249,403 0.316,404 0.415,406 0.749,407 0.291,408 0.902,409 -0.304,410 2.352,411 0.503,412 -0.466,413 -0.606,415 -1.154,416 -0.448,417 0.5,418 -0.968,419 2.07,420 -0.049,421 -1,422 -1.368,424 -2.424,425 -0.923,426 0.221,427 -1,428 1.674,429 -0.146,430 -1.086,431 -1.5,433 -2.63,434 -1.016,435 -0.096,436 -1.455,437 1.497,438 -0.649,439 -1.567,440 -2.006,442 -3.963,443 -1.345,444 -0.118,445 -1.617,446 1,447 -0.68,448 -1.618,449 -2.42,451 -4.372,452 -1.473,453 -0.239,454 -1.618,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.578,462 8.133,463 0.508,464 0.239,465 0.015,466 22.25,467 1.391,468 12,469 0.75,470 10.25,471 0.641,472 9.946,473 0.622,474 15.867,475 0.567,476 11.263,477 0.704,478 4.246,479 0.265,480 3.686,481 0.23,484 0.234,487 0.859,488 1.15,489 0.708,490 0.844,491 0.685,492 0.84,493 1.303,494 0.818,495 0.981,496 0.838,497 0.984,498 0.867,499 0.908,500 0.929,501 1.04,502 1.025,503 0.906,504 1.071,505 0.739,506 1.052,507 0.932,508 1.048,509 1.049,510 1.158,511 0.962,512 1.056,513 1.102,514 1.106,515 1,516 1.083,517 0.947,518 1.023,519 0.908,520 0.951,521 0.67,522 0.824,523 1.158,524 0.903,525 0.795,526 0.779,527 1.102,528 0.866,529 1.223,530 1.361,531 1.526,532 1.481,533 1.586,534 1.255,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 5705,547 2.213,548 42.9,550 6,551 2,552 2,555 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,565 1,567 41.481,568 1.481,569 3.379,570 4.307,571 4.593,572 4.664,573 4.664,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,581 1,582 1,584 1,585 134.606,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.062,604 -0.155,605 0.084,606 0.005,607 0.143,608 0.009,609 -0.103,610 0.238,611 -0.061,612 0.075,613 -0.101,614 0.007,615 -0.144,616 -0.001,617 -0.126,618 -0.076,619 -0.145,620 -0.107,621 -0.038,622 -0.161,623 -0.084,624 -0.136,625 -0.187,626 -0.185,627 -0.034,628 -0.125,629 -0.092,630 -0.107,631 -0.061,632 -0.07,633 0.147,634 -0.053,635 0.103,636 0.034,637 0.291,638 0.17,639 -0.081,640 0.083,641 0.102,642 0.135,643 0.103,644 0.074,645 -0.001,646 -0.324,647 -0.153,648 -0.288,649 -0.147,650 -0.247,651 0.505,652 1.052,653 0.875,654 8.625,655 0.989,656 1.107,657 2.67,658 7.129,659 0.731,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.674,672 228.34,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 7.1,691 1,693 1,698 2,699 8,700 1,703 1,704 1,705 1,706 15,724 28,726 15,727 1,728 18,730 30,731 13,733 11,734 3,735 3,739 3,740 4,751 1,753 11,754 2,769 1,772 12,773 1,775 3,776 1,778 1,779 2,784 0.667,801 2,802 1,805 1,832 2,834 1,840 16,846 2,856 1,869 7.333,870 4.983,871 3.556,872 1.658,874 2.788,875 1.451,876 1.04,877 2.644,878 8.97,879 3.277,880 3.902,881 4.538,882 5.137,883 5.411,884 5.684,885 6.033,886 6.403,887 6.269,888 6.516,889 1,890 19,891 5.888,893 2.45,894 7.427,895 11.637,897 9.63,899 1.927,900 30.833,901 0.006,904 141.253,905 114.69,906 18.685,910 31.278,911 83.412,912 141.253,913 18.685,915 4.64,916 54.601,917 48.946,918 16.705,919 24.288,920 125.447,922 141.253,923 102.097,925 31.278,927 117.711,928 23.542,931 24.205,932 61.106,933 16.786,934 31.278,935 141.253,936 18.685,937 114.69,940 141.253,941 42.422,942 74.167,944 16.786,945 141.253,946 18.685,947 114.69,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.1,956 3,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,964 1,968 9.882,969 4.281,970 1.998,971 2.774,972 16.786,973 16.607,974 4.052,977 1.806,978 1.424,979 2.116,981 274.628,982 25.5,994 27.698,995 30.993,996 0.308,997 0.703,998 0.896,999 0.955,1000 0.97,1001 0.97,1002 4.451,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.585,1009 5.979,1010 3.777,1011 5.644,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 4.227,1018 6.783,1019 3.071,1020 6.933,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.846,1027 9.892,1028 5.214,1029 8.271,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 7.496,1036 11.626,1037 5.47,1038 9.647,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 9.426,1045 14.203,1046 6.976,1047 11.05,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 10.533,1054 16.29,1055 7.674,1056 12.474,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 12.197,1063 18.703,1064 8.926,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 13.515,1072 20.93,1073 9.831,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 15.073,1081 23.288,1082 10.979,1083 2.087,1084 7.037,1085 20.801,1086 4.457,1087 12.373,1088 16.487,1090 25.571,1091 11.98,1092 1.548,1093 6.181,1094 22.64,1095 3.48,1096 13.501,1097 18.004,1099 27.909,1100 13.087,1101 1.311,1102 3.687,1103 24.486,1104 2.869,1105 14.57,1106 19.46,1108 30.215,1109 14.132,1110 1,1111 2.841,1112 26.336,1113 2.321,1114 15.684,1115 20.961,1117 32.544,1118 15.223,1119 0.79,1120 2.235,1121 28.191,1122 1.736,1123 16.774,1124 22.438,1126 34.861,1127 16.288,1128 2117,1129 3463,1130 12.712,1131 20.466,1132 26.641,1133 26.441,1134 26.431,1135 26.495,1136 26.513,1137 37.507,1139 72.45,1140 24.875,1141 5.347,1142 5.123,1143 6.145,1144 5.096,1145 5.047,1146 7.457,1148 16.997,1149 4.957,1151 1.48,1152 1.469,1153 1.468,1154 1.472,1155 1.473,1156 2.084,1158 4.025,1159 1.382,1160 4.089,1161 4.105,1162 4.315,1163 4.107,1164 4.959,1165 4.057,1166 3.9,1167 3.961,1168 3.86,1169 3.702,1170 4.852,1171 3.725,1172 3.403,1173 3.444,1174 3.511,1175 3.375,1176 4.206,1177 3.316,1178 3.253,1179 3.316,1180 3.105,1181 3.134,1182 3.919,1183 3.119,1184 2.779,1185 2.841,1186 2.776,1187 2.688,1188 3.545,1189 2.646,1190 2.491,1191 2.587,1192 2.324,1193 2.319,1194 3.335,1195 2.3,1196 2.417,1197 2.513,1198 2.282,1199 2.271,1200 3.156,1201 2.244,1202 2.245,1203 2.341,1204 2.224,1205 2.086,1206 2.949,1207 2.007,1208 0.251,1209 0.174,1210 0.362,1211 0.223,1212 0.169,1213 4.51,1214 0.248,1215 3.123,1217 6.512,1218 0.568,1219 4.017,1220 0.164,1221 3.047,1222 4.457,1224 10.216,1225 2.957,1226 1.959,1227 1.941,1228 2.051,1229 2.025,1230 1.293,1231 2.039,1232 1.6,1233 1.538,1234 1.773,1235 1.806,1236 0.982,1237 1.802,1238 1.415,1239 1.4,1240 1.507,1241 1.527,1242 0.654,1243 1.531,1244 1.304,1245 1.239,1246 1.487,1247 1.466,1248 0.53,1249 1.514,1250 1.09,1251 1.02,1252 1.328,1253 1.302,1254 0.334,1255 1.327,1256 0.951,1257 0.927,1258 1.024,1259 0.999,1260 0.265,1261 1.073,1262 0.576,1263 0.497,1264 0.912,1265 0.789,1266 0.065,1267 0.848,1268 0.183,1269 0.032,1270 0.714,1271 0.532,1273 0.613,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 2.055,1300 18.864,1301 41.481,1302 94.606,1303 120.606,1304 128.606,1305 130.606,1306 130.606,1307 13.39,1308 6.182,1309 17.82,1310 46.06,1311 16,1312 11.846,1313 4,1314 3.087,1315 21.891,1316 41,1317 34,1318 0.263,1319 120.446,1320 188.35,1321 285.648,1322 3422,1324 10.795,1325 0.675,1326 0.603,1327 11.148,1328 9.652,1329 7.933,1330 0.441,1331 0.346,1332 5.374,1333 7.266,1334 5.171,1335 4.28,1336 8.387,1337 6.221,1338 6.774,1339 0.282,1340 0.198,1341 7.357,1342 4.748,1343 5.894,1344 0.184,1345 0.115,1346 6.537,1347 3.667,1348 5.008,1349 0.122,1350 0.068,1351 5.722,1352 2.777,1353 3.26,1354 0.08,1355 0.04,1356 3.775,1357 1.656,1358 0.402,1359 53.25,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 204.151,1365 109.807,1366 225.71,1367 316.17,1368 214,1369 98,1370 221.33,1371 120.397,1372 242.137,1373 350.12,1374 228,1375 5.276} {0 CHEMBL46476,1 1.76,2 7.278,3 1.973,4 3.892,5 70.565,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.709,13 3.098,14 3.936,15 4.053,16 3.641,17 3.529,18 5.252,19 3.469,20 4.072,21 4.215,22 3.545,23 3.569,24 5.203,25 3.461,26 4.161,27 4.352,28 3.542,29 3.465,30 5.323,31 3.371,32 3.943,33 4.132,34 3.217,35 3.256,36 5.096,37 3.169,38 3.854,39 4.042,40 3.115,41 3.098,42 5.019,43 3.013,44 3.662,45 3.861,46 2.968,47 2.894,48 4.887,49 2.795,50 3.302,51 3.459,52 2.873,53 2.629,54 4.652,55 2.539,56 0.062,57 0.393,58 4.01,59 2.486,60 8,61 2.491,62 0.232,63 0.66,64 8.613,65 4.115,66 29.166,67 4.143,68 0.129,69 0.7,70 10.325,71 5.369,72 16.187,73 5.859,74 0.256,75 0.768,76 16.974,77 6.34,78 27.903,79 6.657,80 0.166,81 0.6,82 11.078,83 4.732,84 21.722,85 5.405,86 0.174,87 0.575,88 11.554,89 4.307,90 23.271,91 4.613,92 0.309,93 0.452,94 9.401,95 3.428,96 35.333,97 3.445,98 0.088,99 0.343,100 8.029,101 2.78,102 6.826,103 2.654,104 6,105 28,106 0.334,107 0.734,108 0.867,109 0.899,110 0.899,111 0.899,112 2.961,113 0.946,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 3,141 3,143 1,149 2,150 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 8,181 1,186 3,191 1,194 6,195 2,198 5,203 2,206 2,207 2,210 5,215 2,219 1,222 4,223 1,227 1,233 1,234 1,237 1,247 1,248 1,258 1,262 1,270 314,271 12.223,272 12.223,273 12.223,274 12.223,275 12.223,276 10.328,277 10.659,278 7.219,279 12.579,280 9.889,281 9.889,282 9.889,283 9.889,284 9.889,285 7.05,286 15.208,287 3.436,288 10.456,289 3.047,290 0.943,291 0.241,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 284,302 2.55,305 82.926,306 41.39,309 65.947,313 1.167,314 16.424,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 131,327 4.595,328 3.617,329 6.673,330 4.119,331 3.147,332 4.538,333 1.437,334 10.732,335 3.056,336 3.991,337 3.015,338 5.632,339 3.592,340 2.644,341 3.527,342 0.522,343 7.712,344 2.522,345 3.754,346 2.75,347 5.471,348 3.299,349 2.335,350 3.191,352 6.876,353 2.22,354 3.489,355 2.239,356 5.007,357 3.007,358 2.059,359 2.865,361 5.953,362 1.936,363 2.941,364 1.726,365 4.354,366 2.408,367 1.429,368 2.097,370 3.859,371 1.383,372 2.643,373 1.293,374 3.677,375 2.111,376 1.2,377 1.686,379 2.707,380 1.087,381 2.542,382 1.162,383 3.431,384 1.965,385 1.055,386 1.541,388 2.486,389 0.934,390 2.118,391 0.716,392 3.171,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 2.04,400 0.618,401 3,402 1.47,403 0.549,404 0.797,406 1.342,407 0.494,408 1.181,409 0.408,410 2.727,411 0.802,412 -0.14,413 -0.178,415 -0.385,416 -0.131,417 0.635,418 0.06,419 2.248,420 0.139,421 -0.803,422 -1.046,424 -2,425 -0.718,426 0.601,427 -0.695,428 2,429 0.116,430 -0.871,431 -1.25,433 -2.059,434 -0.853,435 0.417,436 -0.854,437 1.903,438 -0.02,439 -1,440 -1.402,442 -2.676,443 -0.972,444 0.012,445 -1.181,446 1.609,447 -0.437,448 -1.357,449 -1.762,451 -3.379,452 -1.219,453 -0.101,454 -1.429,455 1.192,456 -0.575,457 -1.533,458 -2.092,460 -4.352,461 -1.45,462 8.8,463 0.489,464 0.435,465 0.024,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.119,473 0.618,474 18.2,475 0.65,476 15.347,477 0.853,478 5.011,479 0.278,480 3.727,481 0.207,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.706,492 0.761,493 0.618,494 0.754,495 0.917,496 0.781,497 0.388,498 0.786,499 0.698,500 1.083,501 1.003,502 1.113,503 0.685,504 1.199,505 0.902,506 0.992,507 1,508 1.122,509 0.919,510 1.015,511 0.879,512 1.064,513 0.844,514 0.977,515 0.866,516 1.053,517 1.037,518 1.29,519 1.108,520 1.229,521 1.022,522 1.185,523 1.433,524 0.599,525 0.94,526 0.563,527 1.699,528 0.767,529 1.096,530 1.454,531 1.455,532 1.574,533 0.969,534 1.131,535 3.5,537 1.778,538 1.229,539 0.813,540 0.365,541 0.309,542 0.181,543 0.068,544 0.049,545 2832,546 9594,547 2.12,548 35.7,550 5,551 2,552 2,553 1,558 1.587,559 2,560 2.912,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.864,570 4.566,571 4.736,572 4.736,573 4.736,574 2.261,575 3.197,576 4.143,577 3.028,578 463.288,579 7.03,580 4330.67,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.175,590 0.063,591 0.051,592 0.037,593 0.02,594 0.021,595 0.015,596 0.007,597 0.012,598 0.402,599 0.67,600 1,601 0.816,602 75.731,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.096,608 0.04,609 0.104,610 0.316,611 -0.062,612 0.136,613 0.207,614 0.056,615 -0.051,616 -0.164,617 -0.133,618 -0.172,619 -0.031,620 -0.251,621 0.002,622 -0.05,623 0.063,624 -0.098,625 -0.015,626 0.019,627 -0.039,628 -0.17,629 0.002,630 -0.087,631 -0.019,632 -0.049,633 -0.085,634 -0.335,635 -0.125,636 -0.273,637 -0.09,638 -0.193,639 -0.07,640 0.374,641 0.065,642 0.397,643 -0.28,644 0.226,645 -0.018,646 -0.418,647 -0.029,648 -0.328,649 0.112,650 -0.11,651 2.541,652 4.096,653 0.778,654 11.444,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.638,663 3.912,664 4.007,665 4.094,666 4.174,667 4.29,668 4.205,669 4.174,670 4.603,671 0.706,672 258.32,673 3.045,674 4.575,675 5.425,676 6.304,677 7.174,678 8.059,679 8.936,680 9.823,681 10.704,682 11.592,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.917,872 1.507,874 2.902,875 1.447,876 0.996,877 2.878,878 9.392,879 3.384,880 4.034,881 4.663,882 5.305,883 5.708,884 6.095,885 6.494,886 6.938,887 7.051,888 7.344,889 0.8,890 24,891 6.618,893 2.853,894 7.926,895 12.448,897 10.268,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 45.125,917 117.684,918 19.891,919 24.288,920 90.133,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 43.983,942 64.69,944 84.614,945 105.94,946 86.513,947 106.774,949 0.583,950 0.338,951 0.186,952 0.089,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.102,960 130.655,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.191,971 1.812,972 84.614,973 12.976,974 3.987,977 1.459,978 1.448,979 1.952,980 42.683,981 299.227,982 28.5,987 11.096,991 -0.874,994 28.469,995 30.996,996 0.366,997 0.804,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.407,1005 2.486,1006 4.043,1007 4.718,1008 1.736,1009 6.213,1010 3.944,1011 5.819,1012 0.549,1013 6.959,1014 1.372,1015 3.611,1016 4.543,1018 7.101,1019 3.507,1020 7.133,1021 -0.14,1022 8.612,1023 1.342,1024 5.624,1025 6.996,1026 2.269,1027 10.202,1028 5.454,1029 8.489,1030 -0.803,1031 10.326,1032 -0.385,1033 6.043,1034 7.718,1036 11.957,1037 5.861,1038 9.877,1039 -0.871,1040 12.079,1041 -2,1042 7.504,1043 9.587,1044 2.925,1045 14.568,1046 7.278,1047 11.29,1048 -1,1049 13.861,1050 -2.059,1051 8.306,1052 10.728,1054 16.683,1055 8.061,1056 12.721,1057 -1.357,1058 15.663,1059 -2.676,1060 9.556,1061 12.372,1062 3.619,1063 19.135,1064 9.279,1065 3.147,1066 -1.533,1067 17.482,1068 -3.379,1069 10.537,1070 13.713,1072 21.401,1073 10.236,1074 2.644,1075 10.732,1076 19.315,1077 -4.352,1078 11.708,1079 15.269,1080 4.33,1081 23.8,1082 11.38,1083 2.335,1084 7.712,1085 21.158,1086 4.538,1087 12.772,1088 16.703,1090 26.129,1091 12.418,1092 2.059,1093 6.876,1094 23.01,1095 3.527,1096 13.916,1097 18.227,1098 5.047,1099 28.51,1100 13.536,1101 1.429,1102 5.953,1103 24.869,1104 3.191,1105 15.019,1106 19.703,1108 30.865,1109 14.613,1110 1.2,1111 3.859,1112 26.735,1113 2.865,1114 16.156,1115 21.217,1116 5.769,1117 33.24,1118 15.724,1119 1.055,1120 2.707,1121 28.607,1122 2.097,1123 17.278,1124 22.712,1126 35.605,1127 16.819,1128 2760,1129 5171,1130 13.523,1131 20.614,1132 30.576,1133 30.747,1134 30.432,1135 30.041,1136 30.074,1137 42.337,1138 3.916,1139 86.077,1140 28.418,1141 5.366,1142 5.617,1143 6.288,1144 5.216,1145 5.147,1146 7.538,1147 2.873,1148 17.67,1149 5.056,1150 7.077,1151 1.529,1152 1.537,1153 1.522,1154 1.502,1155 1.504,1156 2.117,1157 0.196,1158 4.304,1159 1.421,1160 4.104,1161 4.117,1162 4.328,1163 4.116,1164 7.475,1165 4.069,1166 3.886,1167 3.941,1168 3.863,1169 3.698,1170 6.351,1171 3.718,1172 3.476,1173 3.489,1174 3.477,1175 3.38,1176 4.966,1177 3.366,1178 3.152,1179 3.157,1180 3.325,1181 3.008,1182 4.803,1183 2.988,1184 2.894,1185 2.935,1186 2.764,1187 2.674,1188 4.135,1189 2.69,1190 2.716,1191 2.786,1192 2.688,1193 2.593,1194 3.74,1195 2.554,1196 2.471,1197 2.57,1198 2.268,1199 2.289,1200 3.511,1201 2.269,1202 2.282,1203 2.366,1204 2.143,1205 2.1,1206 3.324,1207 2.095,1208 0.23,1209 0.181,1210 0.334,1211 0.206,1212 0.157,1213 4.595,1214 0.227,1215 3.617,1216 0.072,1217 6.673,1218 0.537,1219 4.119,1220 0.153,1221 3.147,1222 4.538,1223 1.437,1224 10.732,1225 3.056,1226 1.956,1227 1.94,1228 2.031,1229 2.025,1230 1.236,1231 2.033,1232 1.538,1233 1.513,1234 1.675,1235 1.747,1236 0.856,1237 1.726,1238 1.48,1239 1.455,1240 1.507,1241 1.602,1242 0.68,1243 1.599,1244 1.295,1245 1.23,1246 1.46,1247 1.524,1248 0.451,1249 1.513,1250 1.005,1251 0.989,1252 1.153,1253 1.153,1254 0.245,1255 1.18,1256 0.78,1257 0.739,1258 1.008,1259 1.039,1260 0.134,1261 1.031,1262 0.701,1263 0.673,1264 0.902,1265 0.911,1267 0.98,1268 0.368,1269 0.27,1270 0.731,1271 0.632,1273 0.688,1274 3.714,1276 5.03,1277 3.045,1278 6.526,1279 5.283,1280 8.11,1281 7.286,1282 9.746,1289 9.111,1290 0.699,1300 19.767,1301 49.281,1302 108.2,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 23.645,1308 6.489,1309 55.12,1310 83.36,1311 16,1312 12.124,1313 4.087,1314 3.248,1315 25.741,1316 51,1317 40,1318 0.264,1319 125.511,1320 203.29,1321 298.007,1322 4775,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.737,1330 0.437,1331 0.315,1332 5.433,1333 7.956,1334 5.239,1335 4.33,1336 9.191,1337 6.31,1338 7.974,1339 0.285,1340 0.176,1341 8.525,1342 4.931,1343 6.575,1344 0.178,1345 0.102,1346 7.264,1347 3.756,1348 5.622,1349 0.115,1350 0.058,1351 6.472,1352 2.846,1353 3.945,1354 0.073,1355 0.033,1356 4.649,1357 1.799,1358 0.401,1359 59.231,1360 0.272,1361 17.938,1362 0.757,1363 96,1364 304.036,1365 126.235,1366 316.335,1367 424.52,1368 294,1369 113,1370 289.996,1371 140.556,1372 310.985,1373 451.48,1374 290,1375 5.77} {0 CHEMBL46561,1 1.802,2 7.7,3 2.806,4 7.874,5 83.349,6 9.513,7 0.682,8 3.594,9 3.671,10 3.472,11 3.295,12 4.791,13 3.221,14 4.064,15 4.186,16 3.84,17 3.697,18 5.319,19 3.59,20 4.162,21 4.278,22 3.939,23 3.793,24 5.294,25 3.634,26 4.271,27 4.42,28 3.824,29 3.763,30 5.376,31 3.602,32 4.178,33 4.315,34 3.781,35 3.703,36 5.265,37 3.529,38 4.207,39 4.404,40 3.748,41 3.528,42 5.309,43 3.407,44 3.968,45 4.159,46 3.052,47 3.251,48 5.077,49 3.125,50 4.007,51 4.268,52 2.602,53 2.874,54 5.17,55 2.747,56 0.057,57 0.444,58 4.653,59 3.007,60 7.775,61 3.082,62 0.25,63 0.771,64 13.215,65 5.643,66 31.072,67 5.511,68 0.132,69 0.818,70 17.064,71 7.166,72 14.653,73 6.79,74 0.232,75 0.903,76 20.041,77 8.015,78 30.385,79 7.726,80 0.162,81 0.838,82 19.168,83 7.698,84 19.905,85 7.375,86 0.268,87 0.877,88 22.622,89 7.585,90 16.49,91 7.396,92 0.102,93 0.629,94 11.945,95 5.165,96 12.943,97 5.985,98 0.456,99 0.639,100 14.754,101 4.97,102 57.908,103 5.161,104 14,105 31,106 0.333,107 0.74,108 0.858,109 0.885,110 0.885,111 0.885,112 3.059,113 1.093,114 -3.79,115 -3.75,116 -3.56,118 43.8,123 1,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 1,175 1,177 1,180 7,181 2,186 3,191 2,194 6,195 2,198 4,203 2,206 3,210 3,218 1,219 2,222 6,227 2,234 2,235 1,246 1,247 2,250 1,260 1,270 450,271 13.593,272 13.593,273 13.593,274 13.593,275 13.593,276 11.698,277 11.718,278 7.942,279 14.211,280 10.804,281 10.804,282 10.804,283 10.804,284 10.804,285 7.867,286 14.576,287 3.68,288 11.674,289 3.198,290 0.996,291 0.36,292 0.211,293 0.211,294 0.211,295 3.734,298 1,299 1,300 1,301 329,302 2.828,305 90.651,306 50.014,309 75.89,313 1.4,314 16.565,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 43,326 154,327 4.651,328 4.395,329 6.765,330 4.153,331 3.218,332 4.602,333 2.95,334 11.129,335 3.015,336 4.054,337 3.578,338 5.932,339 3.678,340 2.701,341 3.553,342 1.437,343 8.268,344 2.614,345 3.905,346 3.041,347 5.593,348 3.44,349 2.512,350 3.429,351 0.522,352 7.381,353 2.322,354 3.482,355 2.697,356 5.279,357 3.002,358 2.07,359 2.844,361 6.406,362 1.908,363 3.14,364 2.327,365 4.816,366 2.612,367 1.724,368 2.398,370 5.12,371 1.515,372 2.766,373 2.02,374 3.822,375 2.232,376 1.25,377 1.785,379 2.936,380 1.204,381 2.581,382 1.786,383 3.718,384 2.084,385 1.156,386 1.61,388 2.662,389 1.063,390 2.295,391 1.314,392 3.389,393 1.828,394 0.965,395 1.227,397 2.221,398 0.81,399 2.118,400 1.16,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.567,409 0.618,410 2.867,411 1.107,412 0.269,413 0.34,415 0.501,416 0.219,417 1.059,418 0.489,419 2.55,420 0.713,421 -0.178,422 -0.213,424 -0.408,425 -0.156,426 0.759,427 0.26,428 2.373,429 0.279,430 -0.657,431 -0.846,433 -1.675,434 -0.576,435 0.597,436 -0.146,437 2.24,438 0.093,439 -0.871,440 -1.254,442 -2,443 -0.836,444 0.425,445 -0.67,446 1.95,447 -0.014,448 -1,449 -1.315,451 -2.636,452 -0.953,453 0.144,454 -0.898,455 1.599,456 -0.287,457 -1.172,458 -1.509,460 -2.996,461 -1.038,462 10.133,463 0.507,464 0.486,465 0.024,466 26.75,467 1.338,468 14,469 0.7,470 12.75,471 0.638,472 15.385,473 0.769,474 20.467,475 0.64,476 16.158,477 0.808,478 4.971,479 0.249,480 4.715,481 0.236,482 0.115,484 0.336,487 0.806,488 1.047,489 0.699,490 0.758,491 0.711,492 0.766,493 0.635,494 0.732,495 1.034,496 0.842,497 0.38,498 0.738,499 0.72,500 1.053,501 1.06,502 1.106,503 0.67,504 1.093,505 1.014,506 1.055,507 1.262,508 1.17,509 0.99,510 1.087,511 0.839,512 1.266,513 1.418,514 1.395,515 0.817,516 1.224,517 0.731,518 1.132,519 1.002,520 1.23,521 0.704,522 0.974,523 0.695,524 1.339,525 0.928,526 1.196,527 0.668,528 1.373,529 1.801,530 0.614,531 0.717,532 0.47,533 2.106,534 0.892,535 4,536 0.04,537 2.222,538 1.674,539 0.933,540 0.844,541 0.452,542 0.142,543 0.099,544 0.055,545 3560,546 12292,547 2.077,548 37.5,550 8,551 1,552 2,553 1,558 1.621,559 1.935,560 2.968,561 -0.222,563 1,565 1,567 57.677,568 1.802,569 4.004,570 4.64,571 4.789,572 4.789,573 4.789,574 2.466,575 3.484,576 4.29,577 3.111,578 591.07,579 7.35,580 5916.86,581 1,582 1,583 1,584 1,585 160,586 1.441,587 4.248,588 0.182,589 0.01,590 0.072,591 0.058,592 0.035,593 0.034,594 0.02,595 0.009,596 0.012,597 0.009,598 0.44,599 0.33,600 1,601 0.959,602 87.328,603 -0.095,604 -0.066,605 0.042,606 0.08,607 -0.092,608 0.046,609 0.109,610 0.342,611 -0.047,612 0.153,613 0.225,614 0.154,615 -0.052,616 -0.082,617 -0.004,618 -0.045,619 -0.003,620 -0.144,621 -0.135,622 -0.081,623 -0.142,624 -0.079,625 -0.096,626 -0.094,627 -0.067,628 -0.278,629 -0.198,630 -0.23,631 -0.06,632 -0.218,633 0.146,634 -0.12,635 0.127,636 -0.167,637 0.078,638 0.059,639 0.01,640 -0.464,641 -0.203,642 -0.403,643 0.01,644 -0.406,645 -0.21,646 0.302,647 -0.011,648 0.269,649 -0.394,650 0.096,651 2.554,652 4.092,653 0.7,654 14.9,655 1.013,656 1.104,657 2.558,658 6.544,659 0.751,660 3.135,661 3.466,662 3.761,663 4.043,664 4.205,665 4.357,666 4.477,667 4.533,668 4.477,669 4.344,670 4.826,671 0.703,672 304.42,673 3.135,674 4.673,675 5.533,676 6.422,677 7.306,678 8.203,679 9.096,680 9.997,681 10.896,682 11.8,683 6.3,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,724 32,726 16,727 1,728 22,730 34,731 14,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 3,774 1,775 6,776 2,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,833 1,834 2,836 1,840 20,845 1,846 1,849 1,856 1,862 6.3,864 1,865 1,869 10.333,870 6.1,871 4.444,872 1.681,874 2.881,875 1.43,876 0.984,877 3.809,878 9.578,879 3.45,880 4.103,881 4.745,882 5.383,883 5.842,884 6.284,885 6.745,886 7.129,887 7.273,888 7.457,889 1,890 29,891 7.36,893 3.131,894 7.858,895 13.962,897 11.465,899 2.358,900 47.167,901 0.001,904 129.482,905 138.259,906 18.685,908 67.828,910 63.497,911 74.762,912 197.31,913 18.685,914 7.19,915 2.106,916 37.476,917 117.684,918 18.256,919 13.875,920 157.666,922 129.482,923 93.446,924 67.828,925 63.497,927 129.482,928 67.828,931 21.671,932 54.99,933 16.786,934 63.497,935 129.482,936 86.513,937 138.259,940 129.482,941 75.926,942 64.232,944 84.614,945 129.482,946 86.513,947 138.259,949 0.58,950 0.347,951 0.19,952 0.097,953 16,954 7,955 0.118,956 4,957 1,958 1.143,959 3.215,960 153.192,961 0.143,962 14,963 86.439,964 2,968 13.649,969 5.581,970 2.635,971 2.145,972 84.614,973 10.785,974 4.048,977 1.705,978 2.717,979 2.016,980 42.683,981 354.254,982 30.5,987 11.092,991 -0.888,994 32.429,995 35.331,996 0.36,997 0.801,998 0.928,999 0.958,1000 0.958,1001 0.958,1002 4.67,1003 0.965,1004 5.525,1005 2.662,1006 4.143,1007 4.787,1008 3.139,1009 6.358,1010 4.003,1011 5.902,1012 0.618,1013 7.098,1014 2.221,1015 3.761,1016 4.677,1018 7.302,1019 3.576,1020 7.226,1021 0.269,1022 8.77,1023 1.372,1024 5.753,1025 7.079,1026 5.082,1027 10.41,1028 5.501,1029 8.592,1030 -0.178,1031 10.502,1032 0.501,1033 6.217,1034 7.847,1036 12.203,1037 5.904,1038 9.992,1039 -0.657,1040 12.271,1041 -0.408,1042 7.668,1043 9.692,1044 7.198,1045 14.83,1046 7.308,1047 11.415,1048 -0.871,1049 14.066,1050 -1.675,1051 8.509,1052 10.864,1054 16.98,1055 8.076,1056 12.857,1057 -1,1058 15.88,1059 -2,1060 9.76,1061 12.5,1062 9.351,1063 19.454,1064 9.281,1065 3.218,1066 -1.172,1067 17.71,1068 -2.636,1069 10.772,1070 13.863,1072 21.755,1073 10.218,1074 2.701,1075 11.129,1076 19.551,1077 -2.996,1078 11.952,1079 15.421,1080 11.512,1081 24.181,1082 11.346,1083 2.512,1084 8.268,1085 21.402,1086 4.602,1087 13.041,1088 16.872,1090 26.545,1091 12.361,1092 2.07,1093 7.381,1094 23.262,1095 3.553,1096 14.2,1097 18.404,1098 13.675,1099 28.957,1100 13.461,1101 1.724,1102 6.406,1103 25.129,1104 3.429,1105 15.326,1106 19.895,1108 31.346,1109 14.515,1110 1.25,1111 5.12,1112 27.003,1113 2.844,1114 16.48,1115 21.419,1116 15.838,1117 33.755,1118 15.607,1119 1.156,1120 2.936,1121 28.881,1122 2.398,1123 17.624,1124 22.928,1126 36.155,1127 16.68,1128 3521,1129 6633,1130 14.622,1131 24.023,1132 33.391,1133 36.614,1134 33.997,1135 32.925,1136 32.964,1137 45.432,1138 9.816,1139 95.992,1140 30.493,1141 5.441,1142 6.395,1143 6.379,1144 5.294,1145 5.218,1146 7.602,1147 5.9,1148 18.191,1149 5.015,1150 9.384,1151 1.518,1152 1.664,1153 1.545,1154 1.497,1155 1.498,1156 2.065,1157 0.446,1158 4.363,1159 1.386,1160 4.104,1161 4.111,1162 4.381,1163 4.137,1164 7.475,1165 4.078,1166 3.882,1167 3.941,1168 3.83,1169 3.684,1170 6.351,1171 3.712,1172 3.517,1173 3.513,1174 3.676,1175 3.46,1176 4.963,1177 3.425,1178 3.207,1179 3.255,1180 3.586,1181 3.165,1182 4.792,1183 3.045,1184 3.098,1185 3.144,1186 3.055,1187 2.892,1188 4.137,1189 2.895,1190 2.869,1191 2.939,1192 2.793,1193 2.743,1194 3.828,1195 2.724,1196 2.694,1197 2.726,1198 2.687,1199 2.5,1200 3.636,1201 2.486,1202 2.47,1203 2.569,1204 2.263,1205 2.279,1206 3.572,1207 2.263,1208 0.211,1209 0.2,1210 0.307,1211 0.189,1212 0.146,1213 4.651,1214 0.209,1215 4.395,1216 0.134,1217 6.765,1218 0.506,1219 4.153,1220 0.137,1221 3.218,1222 4.602,1223 2.95,1224 11.129,1225 3.015,1226 1.934,1227 1.925,1228 1.984,1229 1.984,1230 1.172,1231 1.993,1232 1.671,1233 1.641,1234 1.768,1235 1.842,1236 1.054,1237 1.84,1238 1.36,1239 1.322,1240 1.533,1241 1.527,1242 0.692,1243 1.542,1244 1.28,1245 1.223,1246 1.48,1247 1.467,1248 0.509,1249 1.511,1250 1.172,1251 1.176,1252 1.272,1253 1.398,1254 0.351,1255 1.349,1256 1.061,1257 0.994,1258 1.182,1259 1.257,1260 0.275,1261 1.292,1262 0.823,1263 0.77,1264 1.092,1265 0.994,1266 0.175,1267 1.041,1268 0.526,1269 0.502,1270 0.74,1271 0.775,1273 0.804,1274 3.807,1276 5.13,1277 3.045,1278 6.64,1279 5.352,1280 8.239,1281 7.413,1282 9.89,1284 2.02,1289 9.106,1290 0.762,1293 1.658,1300 22.481,1301 57.677,1302 128.126,1303 148.49,1304 153.245,1305 153.245,1306 153.245,1307 27.778,1308 6.697,1309 55.12,1310 108.66,1311 16,1312 12.32,1313 4.087,1314 3.248,1315 29.831,1316 58,1317 49,1318 0.266,1319 146.234,1320 239.1,1321 348.571,1322 5966,1324 14.113,1325 0.706,1326 0.619,1327 14.82,1328 12.371,1329 9.686,1330 0.44,1331 0.364,1332 6.077,1333 8.443,1334 5.703,1335 4.726,1336 10.652,1337 8.014,1338 8.695,1339 0.28,1340 0.202,1341 9.777,1342 6.263,1343 7.375,1344 0.176,1345 0.124,1346 8.761,1347 5.206,1348 6.219,1349 0.111,1350 0.078,1351 7.827,1352 4.342,1353 4.557,1354 0.069,1355 0.046,1356 6.047,1357 3.024,1358 0.401,1359 70.042,1360 0.262,1361 19.624,1362 0.777,1363 106,1364 330.896,1365 158.518,1366 362.292,1367 486.83,1368 338,1369 126,1370 320.053,1371 176.668,1372 354.448,1373 517.39,1374 330,1375 7.367} {0 CHEMBL46571,1 1.588,2 7.7,3 2.388,4 5.703,5 76.182,6 7.695,7 0.682,8 3.673,9 3.787,10 3.269,11 3.195,12 4.849,13 3.193,14 4.176,15 4.353,16 3.64,17 3.594,18 5.383,19 3.578,20 4.317,21 4.479,22 3.638,23 3.736,24 5.412,25 3.676,26 4.52,27 4.723,28 3.573,29 3.769,30 5.556,31 3.674,32 4.523,33 4.779,34 3.483,35 3.685,36 5.473,37 3.577,38 4.452,39 4.708,40 3.404,41 3.574,42 5.481,43 3.456,44 4.258,45 4.521,46 2.971,47 3.243,48 5.346,49 3.119,50 3.869,51 4.125,52 2.554,53 2.739,54 5.068,55 2.635,56 0.042,57 0.528,58 6.742,59 2.961,60 7.983,61 3.775,62 0.267,63 0.845,64 12.887,65 4.617,66 33.495,67 6.26,68 0.136,69 0.943,70 14.192,71 6.179,72 16.433,73 8.052,74 0.226,75 1.077,76 19.197,77 7.263,78 32.409,79 9.8,80 0.277,81 1.036,82 21.187,83 7.407,84 31.447,85 10.554,86 0.262,87 0.938,88 19.748,89 7.089,90 26.465,91 10.251,92 0.305,93 0.719,94 17.252,95 5.288,96 47.886,97 7.345,98 0.392,99 0.438,100 12.483,101 3.383,102 51.449,103 4.475,104 18,105 32,106 0.288,107 0.691,108 0.847,109 0.872,110 0.872,111 0.872,112 3.059,113 0.865,114 -2.99,115 -2.99,116 -2.88,118 42.9,119 1,123 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 4,175 1,177 1,180 6,181 2,185 1,186 6,191 2,194 5,195 2,198 5,203 2,206 3,207 1,209 1,210 4,211 1,215 1,218 1,219 1,221 1,222 5,225 1,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 426,271 13.276,272 13.276,273 13.276,274 13.276,275 13.276,276 11.255,277 12.847,278 7.628,279 13.555,280 10.814,281 10.814,282 10.814,283 10.814,284 10.814,285 7.804,286 16.167,287 3.596,288 11.256,289 3.542,290 1.322,291 0.465,292 0.329,293 0.329,294 0.329,295 3.73,298 1,299 1,300 1,301 329,302 2.739,305 90.142,306 49.645,309 75.373,313 1.4,314 16.733,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 43.5,326 154,327 4.749,328 3.589,329 6.977,330 4.293,331 3.323,332 4.721,333 1.437,334 11.751,335 3.227,336 4.074,337 3.419,338 5.973,339 3.706,340 2.716,341 3.578,342 0.522,343 8.386,344 2.681,345 3.909,346 2.704,347 5.681,348 3.447,349 2.518,350 3.446,352 7.485,353 2.334,354 3.46,355 2.263,356 5.48,357 3.023,358 2.047,359 2.83,361 6.437,362 1.993,363 3.388,364 2.193,365 5.251,366 2.947,367 1.987,368 2.706,370 6.3,371 1.896,372 2.772,373 1.777,374 3.822,375 2.263,376 1.282,377 1.802,379 2.973,380 1.244,381 2.584,382 1.287,383 3.707,384 2.085,385 1.141,386 1.608,388 2.601,389 1.071,390 2.353,391 1.045,392 3.539,393 1.91,394 0.921,395 1.28,397 2.342,398 0.907,399 2.118,400 0.7,401 3.065,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.481,409 0.618,410 3,411 1.263,412 0.302,413 0.342,415 0.766,416 0.289,417 0.955,418 0.441,419 2.509,420 0.536,421 -0.448,422 -0.585,424 -1.121,425 -0.435,426 0.667,427 -0.295,428 2.403,429 0.235,430 -0.697,431 -0.834,433 -1.842,434 -0.644,435 0.49,436 -0.463,437 2.279,438 0.164,439 -0.834,440 -1.142,442 -2,443 -0.828,444 0.428,445 -0.751,446 1.815,447 -0.01,448 -1,449 -1.379,451 -2.5,452 -0.97,453 -0.118,454 -1.207,455 1.478,456 -0.416,457 -1.379,458 -1.766,460 -3.472,461 -1.321,462 9.367,463 0.468,464 0.597,465 0.03,466 27,467 1.35,468 13.5,469 0.675,470 13.5,471 0.675,472 13.926,473 0.696,474 21.233,475 0.607,476 18.483,477 0.924,478 5.571,479 0.279,480 4.005,481 0.2,482 0.178,484 0.406,487 0.831,488 1.45,489 0.755,490 1.091,491 0.716,492 0.94,493 0.701,494 0.851,495 0.744,496 0.687,497 0.37,498 0.69,499 0.725,500 1.127,501 1.016,502 1.188,503 0.623,504 1.158,505 0.952,506 1.238,507 1.193,508 1.265,509 0.856,510 1.271,511 0.734,512 0.903,513 0.918,514 0.954,515 0.64,516 0.961,517 0.529,518 1.074,519 0.852,520 1.114,521 0.587,522 1.056,523 1.35,524 0.888,525 1.184,526 0.966,527 1.415,528 1.031,529 1.922,530 0.622,531 1.268,532 0.647,533 2.464,534 0.839,535 4,536 0.04,537 2.667,538 2.271,539 1.008,540 0.966,541 0.467,542 0.101,543 0.099,544 0.055,545 3500,546 10534,547 2.048,548 42.9,549 3,550 8,551 1,552 2,553 1,558 1.621,559 1.875,560 2.953,561 -0.271,563 1,565 1,567 55.563,568 1.588,569 3.807,570 4.665,571 4.8,572 4.8,573 4.8,574 2.466,575 3.822,576 4.29,577 3.097,578 588.384,579 7.348,580 5827.14,581 1,582 1,584 1,585 179.525,586 1.522,587 4.231,588 0.182,589 0.01,590 0.083,591 0.073,592 0.037,593 0.039,594 0.021,595 0.008,596 0.012,597 0.009,598 0.475,599 0.67,600 1,601 0.897,602 87.026,603 -0.076,604 -0.293,605 0.042,606 -0.077,607 -0.091,608 -0.016,609 0.101,610 0.293,611 0.136,612 0.273,613 0.227,614 0.233,615 -0.052,616 -0.053,617 -0.178,618 -0.167,620 -0.19,621 -0.137,622 -0.238,623 -0.278,624 -0.279,625 -0.083,626 -0.301,627 0.003,628 0.039,629 0.062,630 0.024,631 0.006,632 0.052,633 0.203,634 -0.167,635 0.136,636 -0.126,637 0.109,638 -0.029,639 -0.199,640 -0.005,641 -0.124,642 -0.025,643 -0.18,644 -0.051,645 -0.166,646 0.194,647 -0.11,648 0.268,649 -0.413,650 0.101,651 2.564,652 4.085,653 0.7,654 14.26,655 1.007,656 1.126,657 1.759,658 3.093,659 0.671,660 3.135,661 3.497,662 3.807,663 4.078,664 4.248,665 4.369,666 4.511,667 4.543,668 4.431,669 4.29,670 4.764,671 0.647,672 269.33,673 3.135,674 4.691,675 5.565,676 6.463,677 7.359,678 8.266,679 9.172,680 10.083,681 10.995,682 11.909,683 8.6,691 2,693 1,698 2,699 6,700 1,704 3,705 2,706 15,714 1,724 35,726 16,727 1,728 22,730 37,731 15,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 3,756 1,761 1,765 1,768 1,769 1,772 15,773 3,774 1,775 5,778 1,779 3,784 0.667,785 2,797 1,801 2,802 1,805 1,830 1,832 2,836 2,840 20,845 1,846 1,862 5.7,864 1,865 1,869 10.667,870 6.967,871 4.333,872 1.939,874 2.881,875 1.43,876 0.976,877 3.106,878 9.58,879 3.45,880 4.135,881 4.79,882 5.424,883 5.894,884 6.319,885 6.798,886 7.157,887 7.278,888 7.424,889 1,890 31,891 7.353,893 3.128,894 7.875,895 13.899,897 11.369,899 2.375,900 47.5,904 164.795,905 89.224,906 20.584,908 67.828,911 89.224,912 232.624,913 20.584,914 17.222,915 2.106,916 37.476,917 117.684,918 21.79,919 16.672,920 129.482,922 164.795,923 109.808,924 67.828,927 164.795,928 67.828,931 32.395,932 60.627,933 16.786,935 164.795,936 88.412,937 89.224,940 164.795,941 16.861,942 76.162,944 84.614,945 164.795,946 88.412,947 89.224,949 0.594,950 0.357,951 0.188,952 0.096,953 17,954 8,955 0.081,956 3,957 1,958 1.143,959 3.167,960 155.444,961 0.143,962 14,963 86.439,968 12.943,969 4.799,970 2.157,971 2.033,972 84.614,973 10.693,974 4.045,978 2.584,979 4.107,980 42.683,981 342.432,982 30.5,987 11.085,991 -0.897,994 35.262,995 39.405,996 0.31,997 0.742,998 0.909,999 0.936,1000 0.936,1001 0.936,1002 4.689,1003 0.921,1004 5.58,1005 2.601,1006 4.174,1007 4.82,1008 1.736,1009 6.444,1010 4.102,1011 5.942,1012 0.618,1013 7.18,1014 2.342,1015 3.892,1016 4.796,1018 7.452,1019 3.791,1020 7.283,1021 0.302,1022 8.882,1023 1.372,1024 5.82,1025 7.145,1026 2.269,1027 10.589,1028 5.686,1029 8.665,1030 -0.448,1031 10.642,1032 0.766,1033 6.365,1034 7.98,1036 12.439,1037 6.204,1038 10.08,1039 -0.697,1040 12.438,1041 -1.121,1042 7.79,1043 9.805,1044 2.925,1045 15.117,1046 7.603,1047 11.521,1048 -0.834,1049 14.26,1050 -1.842,1051 8.696,1052 11.034,1054 17.327,1055 8.482,1056 12.981,1057 -1,1058 16.101,1059 -2,1060 9.95,1061 12.671,1062 3.619,1063 19.858,1064 9.711,1065 3.323,1066 -1.379,1067 17.957,1068 -2.5,1069 11.015,1070 14.08,1072 22.22,1073 10.749,1074 2.716,1075 11.751,1076 19.827,1077 -3.472,1078 12.215,1079 15.652,1080 4.33,1081 24.704,1082 11.924,1083 2.518,1084 8.386,1085 21.706,1086 4.721,1087 13.35,1088 17.141,1090 27.127,1091 13.03,1092 2.047,1093 7.485,1094 23.596,1095 3.578,1096 14.538,1097 18.694,1098 5.047,1099 29.596,1100 14.191,1101 1.987,1102 6.437,1103 25.493,1104 3.446,1105 15.704,1106 20.217,1108 32.044,1109 15.329,1110 1.282,1111 6.3,1112 27.397,1113 2.83,1114 16.892,1115 21.766,1116 5.769,1117 34.509,1118 16.488,1119 1.141,1120 2.973,1121 29.307,1122 2.706,1123 18.073,1124 23.305,1126 36.966,1127 17.641,1128 3471,1129 6104,1130 14.334,1131 23.495,1132 34.053,1133 34.653,1134 34.806,1135 33.711,1136 33.71,1137 46.484,1138 3.916,1139 100.828,1140 32.442,1141 5.537,1142 5.589,1143 6.59,1144 5.354,1145 5.323,1146 7.721,1147 2.873,1148 18.95,1149 5.227,1150 10.497,1151 1.548,1152 1.575,1153 1.582,1154 1.532,1155 1.532,1156 2.113,1157 0.178,1158 4.583,1159 1.475,1160 4.169,1161 4.202,1162 4.135,1163 4.08,1164 7.475,1165 4.09,1166 3.884,1167 3.947,1168 3.828,1169 3.684,1170 6.351,1171 3.712,1172 3.584,1173 3.609,1174 3.534,1175 3.434,1176 4.976,1177 3.449,1178 3.247,1179 3.336,1180 3.091,1181 3.063,1182 4.859,1183 3.057,1184 3.138,1185 3.153,1186 3.013,1187 2.87,1188 4.227,1189 2.899,1190 2.957,1191 3.062,1192 2.734,1193 2.739,1194 3.946,1195 2.721,1196 2.778,1197 2.857,1198 2.565,1199 2.621,1200 3.66,1201 2.596,1202 2.587,1203 2.66,1204 2.381,1205 2.327,1206 3.534,1207 2.341,1208 0.216,1209 0.163,1210 0.317,1211 0.195,1212 0.151,1213 4.749,1214 0.215,1215 3.589,1216 0.065,1217 6.977,1218 0.534,1219 4.293,1220 0.147,1221 3.323,1222 4.721,1223 1.437,1224 11.751,1225 3.227,1226 1.954,1227 1.936,1228 2.032,1229 2.04,1230 1.197,1231 2.036,1232 1.746,1233 1.691,1234 1.895,1235 1.935,1236 1.113,1237 1.927,1238 1.423,1239 1.356,1240 1.636,1241 1.659,1242 0.744,1243 1.654,1244 1.317,1245 1.278,1246 1.591,1247 1.55,1248 0.655,1249 1.553,1250 1.283,1251 1.209,1252 1.468,1253 1.524,1254 0.438,1255 1.511,1256 0.992,1257 0.947,1258 1.206,1259 1.315,1260 0.249,1261 1.28,1262 0.833,1263 0.74,1264 1.15,1265 1.084,1266 0.175,1267 1.127,1268 0.778,1269 0.696,1270 1.077,1271 0.977,1272 0.164,1273 1.02,1274 3.807,1276 5.153,1277 3.045,1278 6.686,1279 5.416,1280 8.305,1281 7.526,1282 9.977,1284 4.03,1289 9.1,1290 0.722,1300 22.655,1301 55.563,1302 133.26,1303 163.26,1304 168.015,1305 168.015,1306 168.015,1307 27.661,1308 6.7,1309 60.05,1310 60.05,1311 16,1312 12.422,1313 4.087,1314 3.248,1315 29.853,1316 58,1317 49,1318 0.272,1319 140.359,1320 230.38,1321 334.236,1322 5912,1324 14.276,1325 0.714,1326 0.568,1327 14.276,1328 11.368,1329 9.575,1330 0.435,1331 0.288,1332 6.242,1333 9.161,1334 6.016,1335 5.021,1336 9.575,1337 6.346,1338 8.913,1339 0.279,1340 0.153,1341 8.913,1342 4.903,1343 7.72,1344 0.175,1345 0.085,1346 7.72,1347 3.738,1348 6.3,1349 0.109,1350 0.045,1351 6.3,1352 2.592,1353 4.662,1354 0.068,1355 0.024,1356 4.662,1357 1.688,1358 0.408,1359 60.341,1360 0.264,1361 19.558,1362 0.798,1363 108,1364 322.821,1365 118.367,1366 313.864,1367 427.57,1368 292,1369 130,1370 315.765,1371 140.705,1372 323.017,1373 470.16,1374 301,1375 7.495} {0 CHEMBL46866,1 1.662,2 7.833,3 1.706,4 2.91,5 63.999,6 8.652,7 0.75,8 3.492,9 3.573,10 3.179,11 3.022,12 4.757,13 3.054,14 3.956,15 4.074,16 3.536,17 3.392,18 5.317,19 3.412,20 4.104,21 4.247,22 3.393,23 3.415,24 5.304,25 3.381,26 4.131,27 4.324,28 3.279,29 3.291,30 5.301,31 3.257,32 3.878,33 4.04,34 3.177,35 3.087,36 5.132,37 3.08,38 3.811,39 4.006,40 3.028,41 2.953,42 5.108,43 2.925,44 3.443,45 3.633,46 2.674,47 2.755,48 4.525,49 2.694,50 3.45,51 3.658,52 2.488,53 2.546,54 4.69,55 2.479,56 0.1,57 0.4,58 4.159,59 2.369,60 9.209,61 2.405,62 0.28,63 0.638,64 7.724,65 3.634,66 30.574,67 3.839,68 0.32,69 0.668,70 10.415,71 4.822,72 19.498,73 5.231,74 0.37,75 0.664,76 13.148,77 4.924,78 40.295,79 5.7,80 0.283,81 0.514,82 9.31,83 3.787,84 25.312,85 4.268,86 0.41,87 0.491,88 9.708,89 3.32,90 39.078,91 4.071,92 0.123,93 0.359,94 5.791,95 2.507,96 11.401,97 3.146,98 0.266,99 0.341,100 6.809,101 2.239,102 25.309,103 2.716,104 6,105 28,106 0.315,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.961,113 0.816,114 -2.47,115 -2.5,116 -2.44,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 4,175 1,177 1,180 5,181 2,185 1,186 5,191 2,194 4,195 2,198 4,203 2,206 1,207 1,209 1,210 4,211 1,215 1,221 1,222 3,225 1,234 2,235 1,246 1,247 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.196,279 12.353,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.463,288 10.188,289 3.146,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 305,302 2.55,305 81.872,306 44.311,309 66.845,313 1.407,314 19.736,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 40,326 141,327 4.507,328 3.58,329 6.307,330 4.045,331 3.047,332 4.446,333 1.437,334 9.682,335 3.041,336 4.019,337 3.077,338 5.85,339 3.648,340 2.666,341 3.527,342 0.522,343 8.029,344 2.623,345 3.895,346 2.692,347 5.486,348 3.438,349 2.493,350 3.4,352 7.308,353 2.339,354 3.339,355 2.166,356 4.912,357 2.917,358 1.933,359 2.636,361 5.609,362 1.895,363 3.022,364 1.79,365 4.432,366 2.523,367 1.523,368 2.277,370 4.338,371 1.522,372 2.766,373 1.521,374 3.786,375 2.243,376 1.247,377 1.784,379 2.917,380 1.225,381 2.556,382 1.194,383 3.413,384 2.046,385 1.112,386 1.573,388 2.504,389 1.035,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.894,400 0.522,401 3,402 1.394,403 0.392,404 0.583,406 1.025,407 0.392,408 1.074,409 0.357,410 2.679,411 0.744,412 -0.217,413 -0.271,415 -0.623,416 -0.208,417 0.751,418 0.004,419 2.318,420 0.294,421 -0.705,422 -0.947,424 -1.978,425 -0.691,426 0.573,427 -0.625,428 2,429 0.082,430 -0.919,431 -1.297,433 -2,434 -0.907,435 0.414,436 -0.888,437 1.793,438 -0.018,439 -1,440 -1.44,442 -2.673,443 -0.982,444 0.073,445 -1.101,446 1.51,447 -0.346,448 -1.306,449 -1.646,451 -3.254,452 -1.253,453 -0.118,454 -1.53,455 1.175,456 -0.647,457 -1.618,458 -2.127,460 -4.372,461 -1.475,462 8.3,463 0.461,464 0.452,465 0.025,466 25.75,467 1.431,468 13.5,469 0.75,470 12.25,471 0.681,472 9.83,473 0.546,474 18.7,475 0.668,476 16.364,477 0.909,478 5.379,479 0.299,480 3.341,481 0.186,482 0.08,484 0.349,487 0.853,488 1.282,489 0.662,490 1.011,491 0.731,492 0.833,493 0.761,494 0.909,495 0.798,496 0.892,497 0.428,498 0.839,499 1.004,500 1.047,501 1.145,502 1.177,503 0.759,504 1.206,505 1.138,506 0.954,507 1.059,508 0.998,509 1.062,510 1.007,511 1.082,512 1.089,513 0.969,514 1.106,515 0.995,516 1.043,517 0.787,518 0.935,519 0.948,520 0.856,521 0.883,522 0.918,523 0.616,524 1.181,525 0.952,526 1.147,527 0.575,528 1.145,529 1.001,530 0.902,531 1.266,532 0.919,533 1.55,534 1.117,535 4,536 0.04,537 1.556,538 1.326,539 0.608,540 0.581,541 0.274,542 0.101,543 0.099,544 0.055,545 2938,546 9950,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.583,559 2,560 3.003,561 -0.225,563 1,565 1,567 46.526,568 1.662,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.489,575 3.392,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.058,592 0.03,593 0.032,594 0.018,595 0.009,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.383,603 -0.113,604 -0.217,605 0.025,606 -0.06,607 -0.111,609 0.046,610 0.187,611 -0.027,612 0.033,613 0.191,614 0.009,615 -0.107,616 -0.103,617 -0.262,618 -0.193,619 -0.054,620 -0.257,621 -0.159,622 -0.045,623 -0.025,624 -0.012,625 -0.109,626 0.015,627 -0.054,628 -0.176,629 0.014,630 -0.125,631 -0.061,632 -0.064,633 0.227,634 0.019,635 0.106,636 0.103,637 0.111,638 0.084,639 -0.005,640 -0.219,641 -0.026,642 -0.159,643 -0.011,644 -0.114,645 0.012,646 0.075,647 -0.199,648 0.018,649 -0.264,650 -0.126,651 2.603,652 3.865,653 0.778,654 13.136,655 1.026,656 1.117,657 1.239,658 1.535,659 0.694,660 3.045,661 3.367,662 3.611,663 3.871,664 3.989,665 4.111,666 4.263,667 4.304,668 4.22,669 4.174,670 4.841,671 0.689,672 242.25,673 3.045,674 4.575,675 5.416,676 6.29,677 7.151,678 8.029,679 8.899,680 9.779,681 10.654,682 11.536,683 7.1,691 1,693 1,698 2,699 7,700 1,702 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,771 1,772 10,773 4,774 1,775 5,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,840 18,845 1,846 1,862 10.7,864 1,865 1,867 1,869 9,870 5.017,871 3.889,872 1.514,874 2.891,875 1.445,876 0.982,877 2.647,878 9.39,879 3.384,880 4.034,881 4.642,882 5.27,883 5.691,884 6.11,885 6.592,886 6.958,887 7.044,888 7.316,889 1,890 23,891 6.602,893 2.846,894 8.019,895 12.244,897 9.95,899 2.519,900 45.333,901 0.001,904 105.94,905 83.678,906 18.685,908 77.336,911 83.678,912 183.276,913 18.685,915 2.106,916 46.952,917 117.684,918 26.212,919 22.056,920 70.627,922 105.94,923 102.362,924 77.336,927 105.94,928 77.336,931 21.671,932 63.906,933 16.786,935 105.94,936 96.02,937 83.678,940 105.94,941 19.059,942 66.518,944 94.121,945 105.94,946 96.02,947 83.678,949 0.584,950 0.331,951 0.174,952 0.085,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.138,960 129.108,961 0.143,962 14,963 75.059,968 11.05,969 4.312,970 2.181,971 1.486,972 94.121,973 11.919,974 3.953,976 5.635,978 1.031,979 1.885,980 42.683,981 285.638,982 28.5,987 10.865,991 -0.936,994 28.72,995 31.286,996 0.346,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.398,1005 2.504,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.997,1011 5.819,1012 0.392,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.559,1020 7.13,1021 -0.217,1022 8.569,1023 1.025,1024 5.609,1025 6.983,1026 2.269,1027 10.042,1028 5.532,1029 8.479,1030 -0.705,1031 10.255,1032 -0.623,1033 5.994,1034 7.672,1036 11.648,1037 5.916,1038 9.858,1039 -0.919,1040 11.975,1041 -1.978,1042 7.449,1043 9.54,1044 2.925,1045 14.199,1046 7.356,1047 11.258,1048 -1,1049 13.718,1050 -2,1051 8.204,1052 10.638,1054 16.154,1055 8.114,1056 12.675,1057 -1.306,1058 15.476,1059 -2.673,1060 9.441,1061 12.275,1062 3.619,1063 18.517,1064 9.344,1065 3.047,1066 -1.618,1067 17.247,1068 -3.254,1069 10.37,1070 13.575,1072 20.633,1073 10.279,1074 2.666,1075 9.682,1076 19.026,1077 -4.372,1078 11.517,1079 15.117,1080 4.33,1081 22.926,1082 11.423,1083 2.493,1084 8.029,1085 20.813,1086 4.446,1087 12.531,1088 16.515,1090 25.118,1091 12.443,1092 1.933,1093 7.308,1094 22.607,1095 3.527,1096 13.644,1097 18.02,1098 5.047,1099 27.386,1100 13.555,1101 1.523,1102 5.609,1103 24.405,1104 3.4,1105 14.699,1106 19.465,1108 29.615,1109 14.616,1110 1.247,1111 4.338,1112 26.207,1113 2.636,1114 15.8,1115 20.958,1116 5.769,1117 31.877,1118 15.718,1119 1.112,1120 2.917,1121 28.014,1122 2.277,1123 16.878,1124 22.425,1126 34.124,1127 16.8,1128 2861,1129 5349,1130 13.523,1131 19.421,1132 30.583,1133 30.695,1134 30.255,1135 30.066,1136 30.063,1137 42.308,1138 3.916,1139 85.566,1140 29.296,1141 5.288,1142 5.58,1143 5.921,1144 5.094,1145 5.047,1146 7.446,1147 2.873,1148 16.094,1149 5.041,1150 7.237,1151 1.529,1152 1.535,1153 1.513,1154 1.503,1155 1.503,1156 2.115,1157 0.196,1158 4.278,1159 1.465,1160 4.121,1161 4.131,1162 4.087,1163 4.019,1164 7.475,1165 4.032,1166 3.883,1167 3.943,1168 3.828,1169 3.683,1170 6.351,1171 3.712,1172 3.519,1173 3.518,1174 3.482,1175 3.347,1176 5.127,1177 3.372,1178 3.137,1179 3.157,1180 3.047,1181 2.92,1182 4.932,1183 2.946,1184 2.905,1185 2.974,1186 2.768,1187 2.758,1188 4.299,1189 2.751,1190 2.718,1191 2.751,1192 2.596,1193 2.403,1194 3.821,1195 2.451,1196 2.47,1197 2.569,1198 2.263,1199 2.274,1200 3.63,1201 2.263,1202 2.214,1203 2.307,1204 2.057,1205 2.007,1206 3.33,1207 2.002,1208 0.225,1209 0.179,1210 0.315,1211 0.202,1212 0.152,1213 4.507,1214 0.222,1215 3.58,1216 0.072,1217 6.307,1218 0.484,1219 4.045,1220 0.152,1221 3.047,1222 4.446,1223 1.437,1224 9.682,1225 3.041,1226 1.93,1227 1.918,1228 2.007,1229 2.009,1230 1.148,1231 2.006,1232 1.656,1233 1.61,1234 1.803,1235 1.881,1236 0.992,1237 1.86,1238 1.327,1239 1.277,1240 1.502,1241 1.53,1242 0.517,1243 1.523,1244 1.226,1245 1.176,1246 1.382,1247 1.474,1248 0.373,1249 1.434,1250 1.146,1251 1.154,1252 1.219,1253 1.436,1254 0.198,1255 1.367,1256 0.818,1257 0.761,1258 1.11,1259 1.032,1260 0.175,1261 1.059,1262 0.513,1263 0.491,1264 0.821,1265 0.865,1267 0.849,1268 0.398,1269 0.295,1270 0.773,1271 0.712,1273 0.758,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.273,1282 9.702,1289 8.916,1290 0.58,1300 19.294,1301 46.526,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 23.629,1308 6.5,1309 68.26,1310 68.26,1311 16,1312 12.072,1313 4.087,1314 3.248,1315 25.837,1316 54,1317 40,1318 0.253,1319 118.376,1320 193.57,1321 280.598,1322 4840,1324 12.535,1325 0.696,1326 0.523,1327 12.535,1328 9.407,1329 8.72,1330 0.436,1331 0.272,1332 5.335,1333 8.285,1334 5.251,1335 4.333,1336 8.72,1337 5.437,1338 8.061,1339 0.288,1340 0.143,1341 8.061,1342 4.005,1343 6.537,1344 0.182,1345 0.075,1346 6.537,1347 2.712,1348 5.43,1349 0.116,1350 0.04,1351 5.43,1352 1.869,1353 3.874,1354 0.073,1355 0.021,1356 3.874,1357 1.127,1358 0.389,1359 55.406,1360 0.272,1361 18.11,1362 0.709,1363 96,1364 332.911,1365 108.16,1366 316.265,1367 425.26,1368 294,1369 112,1370 310.869,1371 123.887,1372 312.203,1373 452.77,1374 292,1375 7.921} {0 CHEMBL46912,1 1.76,2 7.833,3 2.264,4 5.127,5 70.442,6 9.226,7 0.75,8 3.476,9 3.557,10 3.285,11 3.132,12 4.708,13 3.098,14 3.936,15 4.054,16 3.681,17 3.541,18 5.256,19 3.473,20 4.075,21 4.213,22 3.539,23 3.566,24 5.218,25 3.441,26 4.111,27 4.303,28 3.427,29 3.446,30 5.235,31 3.319,32 3.851,33 4.01,34 3.347,35 3.257,36 5.042,37 3.149,38 3.791,39 3.987,40 3.192,41 3.03,42 4.956,43 2.967,44 3.435,45 3.624,46 2.682,47 2.784,48 4.507,49 2.703,50 3.45,51 3.658,52 2.488,53 2.546,54 4.69,55 2.479,56 0.062,57 0.393,58 4.01,59 2.486,60 7.972,61 2.491,62 0.23,63 0.661,64 7.857,65 4.056,66 29.291,67 4.115,68 0.145,69 0.73,70 14.136,71 5.985,72 14.298,73 6.106,74 0.249,75 0.728,76 15.475,77 6.109,78 34.618,79 6.417,80 0.151,81 0.571,82 11.747,83 4.725,84 19.687,85 4.877,86 0.204,87 0.535,88 11.848,89 4.14,90 22.514,91 4.229,92 0.073,93 0.367,94 6.368,95 2.742,96 9.361,97 3.281,98 0.246,99 0.36,100 6.554,101 2.416,102 24.799,103 2.654,104 6,105 28,106 0.334,107 0.712,108 0.845,109 0.899,110 0.899,111 0.899,112 2.961,113 0.938,114 -3.26,115 -3.25,116 -3.11,118 46.4,124 1,140 4,141 2,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 1,175 1,177 1,180 8,181 2,186 4,191 2,194 6,195 2,198 3,203 2,206 2,207 1,210 5,215 1,219 1,222 4,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 308,271 12.171,272 12.171,273 12.171,274 12.171,275 12.171,276 10.296,277 10.659,278 7.196,279 12.53,280 9.905,281 9.905,282 9.905,283 9.905,284 9.905,285 7.067,286 15.208,287 3.463,288 10.514,289 3.047,290 1.059,291 0.357,292 0.071,293 0.071,294 0.071,295 3.637,299 1,300 1,301 305,302 2.55,305 81.872,306 44.311,309 66.845,313 1.407,314 15.764,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 39,326 141,327 4.507,328 3.58,329 6.307,330 4.001,331 3.047,332 4.446,333 1.437,334 9.682,335 2.92,336 4.019,337 3.077,338 5.85,339 3.625,340 2.666,341 3.527,342 0.522,343 8.029,344 2.538,345 3.895,346 2.692,347 5.486,348 3.43,349 2.493,350 3.4,352 7.308,353 2.319,354 3.339,355 2.166,356 4.912,357 2.873,358 1.933,359 2.636,361 5.609,362 1.795,363 3.022,364 1.79,365 4.432,366 2.477,367 1.523,368 2.277,370 4.338,371 1.436,372 2.766,373 1.521,374 3.786,375 2.232,376 1.247,377 1.784,379 2.917,380 1.204,381 2.556,382 1.194,383 3.413,384 2.035,385 1.112,386 1.573,388 2.504,389 1.02,390 2.118,391 0.618,392 3.141,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.894,400 0.522,401 3,402 1.314,403 0.392,404 0.583,406 1.025,407 0.352,408 1.074,409 0.357,410 2.679,411 0.717,412 -0.217,413 -0.271,415 -0.623,416 -0.201,417 0.751,418 0.004,419 2.318,420 0.263,421 -0.705,422 -0.947,424 -1.978,425 -0.657,426 0.573,427 -0.625,428 2,429 0.055,430 -0.919,431 -1.297,433 -2,434 -0.878,435 0.414,436 -0.888,437 1.793,438 -0.024,439 -1,440 -1.44,442 -2.673,443 -0.975,444 0.073,445 -1.101,446 1.51,447 -0.37,448 -1.306,449 -1.646,451 -3.254,452 -1.218,453 -0.118,454 -1.53,455 1.175,456 -0.679,457 -1.618,458 -2.127,460 -4.372,461 -1.402,462 8.8,463 0.489,464 0.452,465 0.025,466 25.25,467 1.403,468 13.5,469 0.75,470 11.75,471 0.653,472 11.132,473 0.618,474 18.2,475 0.65,476 15.062,477 0.837,478 5.01,479 0.278,480 3.71,481 0.206,482 0.076,484 0.33,487 0.807,488 1.098,489 0.681,490 0.791,491 0.707,492 0.761,493 0.609,494 0.729,495 0.831,496 0.71,497 0.385,498 0.762,499 0.716,500 1.216,501 1.427,502 1.45,503 0.664,504 1.31,505 1.05,506 0.917,507 1.122,508 1.003,509 1.029,510 1.014,511 0.923,512 1.187,513 1.179,514 1.248,515 0.952,516 1.093,517 1.021,518 1.082,519 0.909,520 1.089,521 1.046,522 0.958,523 0.607,524 1.194,525 0.862,526 1.084,527 0.554,528 1.151,529 1.306,530 0.835,531 0.838,532 0.687,533 1.621,534 1.037,535 4,536 0.04,537 1.556,538 1.326,539 0.608,540 0.581,541 0.274,542 0.101,543 0.099,544 0.055,545 2938,546 9950,547 2.12,548 35.7,550 6,551 1,552 2,553 1,558 1.583,559 2,560 3.003,561 -0.225,563 1,565 1,567 49.281,568 1.76,569 3.748,570 4.45,571 4.736,572 4.736,573 4.736,574 2.489,575 3.392,576 4.14,577 3.135,578 479.63,579 7.011,580 4486.83,581 1,582 1,584 1,585 134.606,586 1.352,587 4.109,588 0.2,589 0.01,590 0.056,591 0.058,592 0.03,593 0.032,594 0.018,595 0.009,596 0.012,597 0.009,598 0.435,599 0.67,600 1,601 0.816,602 76.383,603 -0.105,604 -0.102,605 0.036,606 0.061,607 -0.097,608 0.04,609 0.113,610 0.342,611 0.027,612 0.21,613 0.21,614 0.08,615 -0.058,616 -0.255,617 -0.299,618 -0.341,619 -0.006,620 -0.326,621 -0.13,622 0.021,623 -0.038,624 0.043,625 -0.089,626 0.027,627 -0.041,628 -0.241,629 -0.025,630 -0.143,631 -0.045,632 -0.078,633 -0.007,634 -0.108,635 0.13,636 -0.106,637 -0.059,638 0.053,639 0.024,640 -0.28,641 -0.085,642 -0.24,643 0.004,644 -0.161,645 0.023,646 0.115,647 -0.108,648 0.072,649 -0.269,650 -0.097,651 2.556,652 3.899,653 0.778,654 13.136,655 1.017,656 1.107,657 2.027,658 4.107,659 0.736,660 3.045,661 3.367,662 3.611,663 3.871,664 3.989,665 4.111,666 4.263,667 4.304,668 4.22,669 4.174,670 4.841,671 0.706,672 258.32,673 3.045,674 4.575,675 5.416,676 6.29,677 7.151,678 8.029,679 8.899,680 9.779,681 10.654,682 11.536,683 7.1,691 1,693 1,698 2,699 7,700 1,703 1,704 2,705 1,706 15,714 1,724 28,726 16,727 1,728 20,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 10,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,840 18,845 1,846 1,856 1,862 7.1,864 1,865 1,869 9,870 5.017,871 3.889,872 1.514,874 2.891,875 1.445,876 0.996,877 2.878,878 9.39,879 3.384,880 4.034,881 4.642,882 5.27,883 5.691,884 6.11,885 6.592,886 6.958,887 7.044,888 7.316,889 1,890 23,891 6.61,893 2.841,894 7.926,895 12.448,897 10.266,899 2.426,900 43.667,901 0.001,904 105.94,905 106.774,906 18.685,908 67.828,910 31.278,911 75.497,912 173.768,913 18.685,915 2.106,916 46.952,917 117.684,918 16.705,919 13.875,920 101.904,922 105.94,923 94.181,924 67.828,925 31.278,927 105.94,928 67.828,931 21.671,932 55.725,933 16.786,934 31.278,935 105.94,936 86.513,937 106.774,940 105.94,941 42.156,942 66.518,944 84.614,945 105.94,946 86.513,947 106.774,949 0.584,950 0.331,951 0.174,952 0.085,953 15,954 6,955 0.1,956 3,957 1,958 1.143,959 3.138,960 129.108,961 0.143,962 14,963 75.059,964 1,968 11.417,969 4.538,970 2.321,971 2.088,972 84.614,973 12.678,974 3.999,977 1.674,978 1.514,979 1.989,980 42.683,981 299.227,982 28.5,987 10.899,991 -0.89,994 28.469,995 30.996,996 0.366,997 0.78,998 0.926,999 0.985,1000 0.985,1001 0.985,1002 4.593,1003 0.618,1004 5.398,1005 2.504,1006 4.043,1007 4.718,1008 1.736,1009 6.18,1010 3.932,1011 5.819,1012 0.392,1013 6.936,1014 1.372,1015 3.611,1016 4.543,1018 6.974,1019 3.451,1020 7.13,1021 -0.217,1022 8.569,1023 1.025,1024 5.609,1025 6.983,1026 2.269,1027 10.042,1028 5.402,1029 8.479,1030 -0.705,1031 10.255,1032 -0.623,1033 5.994,1034 7.672,1036 11.648,1037 5.732,1038 9.858,1039 -0.919,1040 11.975,1041 -1.978,1042 7.449,1043 9.54,1044 2.925,1045 14.199,1046 7.155,1047 11.258,1048 -1,1049 13.718,1050 -2,1051 8.204,1052 10.638,1054 16.154,1055 7.855,1056 12.675,1057 -1.306,1058 15.476,1059 -2.673,1060 9.441,1061 12.275,1062 3.619,1063 18.517,1064 9.062,1065 3.047,1066 -1.618,1067 17.247,1068 -3.254,1069 10.37,1070 13.575,1072 20.633,1073 9.94,1074 2.666,1075 9.682,1076 19.026,1077 -4.372,1078 11.517,1079 15.117,1080 4.33,1081 22.926,1082 11.056,1083 2.493,1084 8.029,1085 20.813,1086 4.446,1087 12.531,1088 16.515,1090 25.118,1091 12.022,1092 1.933,1093 7.308,1094 22.607,1095 3.527,1096 13.644,1097 18.02,1098 5.047,1099 27.386,1100 13.101,1101 1.523,1102 5.609,1103 24.405,1104 3.4,1105 14.699,1106 19.465,1108 29.615,1109 14.112,1110 1.247,1111 4.338,1112 26.207,1113 2.636,1114 15.8,1115 20.958,1116 5.769,1117 31.877,1118 15.176,1119 1.112,1120 2.917,1121 28.014,1122 2.277,1123 16.878,1124 22.425,1126 34.124,1127 16.211,1128 2861,1129 5349,1130 13.523,1131 20.614,1132 30.583,1133 30.695,1134 30.255,1135 30.07,1136 30.063,1137 42.308,1138 3.916,1139 85.566,1140 28.323,1141 5.288,1142 5.58,1143 5.921,1144 5.13,1145 5.047,1146 7.446,1147 2.873,1148 16.094,1149 4.92,1150 7.237,1151 1.529,1152 1.535,1153 1.513,1154 1.503,1155 1.503,1156 2.115,1157 0.196,1158 4.278,1159 1.416,1160 4.101,1161 4.113,1162 4.336,1163 4.117,1164 7.475,1165 4.067,1166 3.882,1167 3.941,1168 3.83,1169 3.684,1170 6.351,1171 3.712,1172 3.504,1173 3.503,1174 3.61,1175 3.424,1176 4.965,1177 3.4,1178 3.137,1179 3.157,1180 3.059,1181 2.932,1182 4.812,1183 2.947,1184 2.902,1185 2.973,1186 2.907,1187 2.777,1188 4.129,1189 2.76,1190 2.696,1191 2.729,1192 2.692,1193 2.5,1194 3.682,1195 2.486,1196 2.47,1197 2.569,1198 2.263,1199 2.279,1200 3.577,1201 2.264,1202 2.211,1203 2.304,1204 2.148,1205 2.034,1206 3.329,1207 2.006,1208 0.225,1209 0.179,1210 0.315,1211 0.2,1212 0.152,1213 4.507,1214 0.222,1215 3.58,1216 0.072,1217 6.307,1218 0.484,1219 4.001,1220 0.146,1221 3.047,1222 4.446,1223 1.437,1224 9.682,1225 2.92,1226 1.934,1227 1.923,1228 2,1229 1.992,1230 1.158,1231 1.999,1232 1.668,1233 1.629,1234 1.778,1235 1.845,1236 1.044,1237 1.843,1238 1.332,1239 1.285,1240 1.494,1241 1.527,1242 0.55,1243 1.52,1244 1.232,1245 1.181,1246 1.37,1247 1.437,1248 0.375,1249 1.411,1250 1.162,1251 1.171,1252 1.19,1253 1.361,1254 0.287,1255 1.348,1256 0.825,1257 0.772,1258 1.1,1259 1.001,1260 0.175,1261 1.049,1262 0.527,1263 0.506,1264 0.815,1265 0.797,1267 0.818,1268 0.408,1269 0.307,1270 0.692,1271 0.639,1273 0.729,1274 3.714,1276 5.03,1277 3.045,1278 6.518,1279 5.283,1280 8.086,1281 7.273,1282 9.702,1289 8.95,1290 0.766,1300 19.767,1301 49.281,1302 104.954,1303 124.606,1304 132.606,1305 132.606,1306 132.606,1307 22.667,1308 6.5,1309 55.12,1310 83.36,1311 16,1312 12.072,1313 4.087,1314 3.248,1315 25.837,1316 54,1317 40,1318 0.253,1319 125.511,1320 203.29,1321 298.007,1322 4840,1324 12.535,1325 0.696,1326 0.568,1327 12.889,1328 10.223,1329 8.72,1330 0.436,1331 0.313,1332 5.435,1333 7.937,1334 5.251,1335 4.333,1336 9.129,1337 6.254,1338 8.061,1339 0.288,1340 0.185,1341 8.73,1342 5.174,1343 6.537,1344 0.182,1345 0.106,1346 7.29,1347 3.813,1348 5.43,1349 0.116,1350 0.062,1351 6.275,1352 2.923,1353 3.874,1354 0.073,1355 0.036,1356 4.641,1357 1.93,1358 0.389,1359 58.672,1360 0.272,1361 18.11,1362 0.709,1363 96,1364 304.036,1365 129.576,1366 316.265,1367 425.26,1368 294,1369 112,1370 290.339,1371 141.505,1372 312.203,1373 452.77,1374 292,1375 7.824} {0 CHEMBL47021,1 1.779,2 7.8,3 2.248,4 5.053,5 76.906,6 9.011,7 0.682,8 3.607,9 3.686,10 3.386,11 3.203,12 4.84,13 3.183,14 4.085,15 4.21,16 3.773,17 3.6,18 5.374,19 3.553,20 4.177,21 4.295,22 3.756,23 3.649,24 5.339,25 3.57,26 4.288,27 4.466,28 3.683,29 3.609,30 5.384,31 3.534,32 4.195,33 4.361,34 3.548,35 3.543,36 5.292,37 3.446,38 4.201,39 4.368,40 3.503,41 3.432,42 5.472,43 3.334,44 4.03,45 4.245,46 3.287,47 3.169,48 5.167,49 3.089,50 3.789,51 3.954,52 2.741,53 2.867,54 5.111,55 2.79,56 0.091,57 0.455,58 4.963,59 2.997,60 8.623,61 2.997,62 0.343,63 0.744,64 10.877,65 4.924,66 36.472,67 4.875,68 0.216,69 0.786,70 14.053,71 6.318,72 16.191,73 6.271,74 0.311,75 0.845,76 16.704,77 6.716,78 31.078,79 7.342,80 0.279,81 0.786,82 16.246,83 6.444,84 19.276,85 7.124,86 0.421,87 0.773,88 16.334,89 6.343,90 39.932,91 6.747,92 0.374,93 0.649,94 16.54,95 5.139,96 33.641,97 5.54,98 0.403,99 0.467,100 9.923,101 3.523,102 47.381,103 3.328,104 14,105 31,106 0.329,107 0.74,108 0.858,109 0.885,110 0.885,111 0.885,112 3.059,113 0.925,114 -3,115 -3,116 -2.89,118 43.8,123 1,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 3,171 1,172 3,175 1,180 6,181 2,186 6,191 2,194 4,195 1,198 4,203 1,206 2,207 1,209 1,210 5,211 1,215 1,219 2,221 1,222 3,225 1,227 2,233 1,234 2,235 1,246 1,247 1,250 1,260 1,270 410,271 13.541,272 13.541,273 13.541,274 13.541,275 13.541,276 11.674,277 14.972,278 7.936,279 14.059,280 10.827,281 10.827,282 10.827,283 10.827,284 10.827,285 7.893,286 21.167,287 3.721,288 11.594,289 3.221,290 0.996,291 0.36,292 0.211,293 0.211,294 0.211,295 3.734,298 1,299 1,300 1,301 334,302 2.828,305 93.455,306 48.961,309 75.896,313 1.32,314 20.057,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 44,326 156,327 4.61,328 3.592,329 6.602,330 4.111,331 3.162,332 4.564,333 1.437,334 10.595,335 3,336 4.019,337 3.213,338 5.856,339 3.619,340 2.671,341 3.54,342 0.86,343 8.049,344 2.526,345 3.892,346 2.806,347 5.55,348 3.453,349 2.515,350 3.365,351 0.522,352 7.497,353 2.348,354 3.485,355 2.4,356 5.168,357 3.048,358 2.08,359 2.854,361 6.102,362 2.007,363 3.402,364 2.236,365 5.034,366 2.911,367 1.992,368 2.728,370 5.95,371 1.8,372 2.65,373 1.596,374 3.892,375 2.139,376 1.2,377 1.67,379 2.879,380 1.118,381 2.554,382 1.275,383 3.685,384 2.003,385 1.051,386 1.516,388 2.503,389 0.982,390 2.267,391 1.209,392 3.403,393 1.749,394 0.894,395 1.179,397 2.274,398 0.744,399 2.118,400 0.63,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.532,409 0.618,410 2.866,411 1.18,412 0.296,413 0.356,415 0.494,416 0.258,417 1.139,418 0.426,419 2.723,420 0.76,421 -0.178,422 -0.228,424 -0.516,425 -0.165,426 0.748,427 0.014,428 2.398,429 0.322,430 -0.61,431 -0.782,433 -1.488,434 -0.557,435 0.48,436 -0.314,437 2,438 0.008,439 -0.957,440 -1.265,442 -2,443 -0.885,444 0.476,445 -0.853,446 2,447 -0.018,448 -1,449 -1.31,451 -2.708,452 -0.951,453 0.078,454 -1.004,455 1.396,456 -0.298,457 -1.228,458 -1.649,460 -3.555,461 -1.133,462 9.633,463 0.482,464 0.503,465 0.025,466 27.25,467 1.363,468 14,469 0.7,470 13.25,471 0.663,472 13.642,473 0.682,474 20.967,475 0.655,476 17.766,477 0.888,478 5.51,479 0.276,480 4.159,481 0.208,482 0.121,484 0.353,487 0.85,488 1.193,489 0.687,490 0.889,491 0.724,492 0.826,493 0.904,494 0.66,495 0.817,496 0.623,497 0.468,498 0.647,499 0.785,500 1.204,501 1.14,502 1.352,503 0.725,504 1.211,505 0.896,506 0.963,507 0.874,508 0.983,509 0.795,510 0.965,511 0.743,512 1.164,513 1.125,514 1.236,515 0.58,516 1.156,517 0.805,518 1.287,519 1.212,520 1.311,521 0.889,522 1.267,523 1.182,524 0.851,525 1.06,526 0.898,527 0.968,528 0.804,529 1.765,530 1.012,531 1.317,532 0.941,533 2.532,534 1.279,535 4.5,536 0.04,537 1.778,538 1.542,539 1.129,540 0.723,541 0.447,542 0.178,543 0.13,544 0.055,545 3616,546 12462,547 2.077,548 37.5,550 8,551 1,552 2,553 1,558 1.621,559 1.935,560 2.985,561 -0.222,563 1,565 1,567 56.923,568 1.779,569 4.004,570 4.64,571 4.789,572 4.789,573 4.789,574 2.484,575 3.622,576 4.29,577 3.132,578 595.103,579 7.347,580 5987.98,581 1,582 1,584 1,585 160,586 1.441,587 4.248,588 0.205,589 0.01,590 0.057,591 0.055,592 0.042,593 0.03,594 0.021,595 0.01,596 0.013,597 0.009,598 0.453,599 0.5,600 1,601 0.959,602 87.578,603 -0.102,604 -0.154,605 0.044,606 0.014,607 -0.096,608 0.015,609 -0.02,610 0.422,611 0.081,612 0.339,613 0.175,614 0.236,615 -0.039,616 -0.209,617 -0.124,618 -0.28,619 -0.041,620 -0.259,621 -0.051,622 -0.016,623 0.066,624 -0.02,625 -0.052,626 0.03,627 0.027,628 -0.214,629 -0.107,630 -0.202,631 0.026,632 -0.146,633 0.178,634 -0.327,635 -0.15,636 -0.286,637 0.102,638 -0.283,639 -0.08,640 0.121,641 0.09,642 0.134,643 -0.008,644 0.227,645 -0.313,646 -0.102,647 -0.485,648 -0.111,649 -0.582,650 -0.392,651 2.579,652 4.069,653 0.7,654 15.4,655 1.021,656 1.113,657 1.771,658 3.135,659 0.713,660 3.135,661 3.466,662 3.738,663 4.025,664 4.19,665 4.344,666 4.431,667 4.5,668 4.477,669 4.394,670 4.891,671 0.688,672 288.35,673 3.135,674 4.673,675 5.525,676 6.412,677 7.288,678 8.182,679 9.067,680 9.964,681 10.855,682 11.754,683 6.3,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,722 1,724 32,726 16,727 1,728 22,730 34,731 14,733 11,734 4,735 2,736 1,739 3,740 4,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 4,774 1,775 6,776 1,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,834 1,836 1,840 20,845 1,846 1,848 1,856 1,862 9.4,864 1,865 1,867 1,869 10.333,870 6.1,871 4.417,872 1.674,874 2.848,875 1.426,876 0.973,877 3.549,878 9.534,879 3.45,880 4.103,881 4.732,882 5.38,883 5.843,884 6.294,885 6.682,886 7.098,887 7.289,888 7.494,889 1,890 28,891 7.348,893 3.129,894 7.942,895 13.758,897 11.158,899 2.442,900 48.833,904 129.482,905 113.425,906 18.685,908 78.828,910 31.278,911 82.147,912 208.31,913 18.685,914 10.883,915 2.106,916 37.476,917 117.684,918 32.948,919 13.875,920 125.447,922 129.482,923 100.832,924 78.828,925 31.278,927 129.482,928 78.828,931 21.671,932 62.375,933 16.786,934 31.278,935 129.482,936 97.513,937 113.425,940 129.482,941 47.399,942 67.924,944 95.614,945 129.482,946 97.513,947 113.425,949 0.58,950 0.34,951 0.186,952 0.098,953 16,954 7,955 0.118,956 4,957 1,958 1.143,959 3.233,960 152.251,961 0.143,962 14,963 86.439,964 1,968 13.277,969 5.346,970 2.627,971 1.751,972 95.614,973 10.933,974 4.007,977 1.257,978 2.061,979 1.951,980 42.683,981 340.42,982 30.5,987 11.069,991 -0.913,994 32.68,995 35.621,996 0.356,997 0.801,998 0.928,999 0.958,1000 0.958,1001 0.958,1002 4.67,1003 0.894,1004 5.517,1005 2.503,1006 4.143,1007 4.787,1008 1.967,1009 6.333,1010 4.016,1011 5.902,1012 0.618,1013 7.077,1014 2.274,1015 3.761,1016 4.677,1018 7.213,1019 3.593,1020 7.223,1021 0.296,1022 8.734,1023 1.372,1024 5.74,1025 7.071,1026 2.376,1027 10.309,1028 5.508,1029 8.584,1030 -0.178,1031 10.445,1032 0.494,1033 6.176,1034 7.82,1036 12.007,1037 5.887,1038 9.975,1039 -0.61,1040 12.192,1041 -0.516,1042 7.619,1043 9.662,1044 2.967,1045 14.616,1046 7.286,1047 11.389,1048 -0.957,1049 13.963,1050 -1.488,1051 8.423,1052 10.812,1054 16.674,1055 8.027,1056 12.82,1057 -1,1058 15.752,1059 -2,1060 9.665,1061 12.445,1062 3.635,1063 19.116,1064 9.229,1065 3.162,1066 -1.228,1067 17.554,1068 -2.708,1069 10.643,1070 13.79,1072 21.34,1073 10.145,1074 2.671,1075 10.595,1076 19.368,1077 -3.555,1078 11.809,1079 15.344,1080 4.335,1081 23.724,1082 11.27,1083 2.515,1084 8.049,1085 21.192,1086 4.564,1087 12.871,1088 16.781,1090 26.022,1091 12.272,1092 2.08,1093 7.497,1094 23.024,1095 3.54,1096 14.012,1097 18.306,1098 5.05,1099 28.387,1100 13.369,1101 1.992,1102 6.102,1103 24.863,1104 3.365,1105 15.114,1106 19.786,1108 30.719,1109 14.415,1110 1.2,1111 5.95,1112 26.708,1113 2.854,1114 16.251,1115 21.303,1116 5.77,1117 33.078,1118 15.504,1119 1.051,1120 2.879,1121 28.559,1122 2.728,1123 17.373,1124 22.803,1126 35.425,1127 16.572,1128 3567,1129 6728,1130 14.622,1131 22.83,1132 33.329,1133 33.942,1134 33.748,1135 32.898,1136 32.954,1137 45.398,1138 5.636,1139 95.431,1140 30.718,1141 5.386,1142 5.592,1143 6.216,1144 5.227,1145 5.162,1146 7.564,1147 2.873,1148 17.569,1149 5,1150 9.426,1151 1.515,1152 1.543,1153 1.534,1154 1.495,1155 1.498,1156 2.064,1157 0.256,1158 4.338,1159 1.396,1160 4.106,1161 4.115,1162 4.34,1163 4.115,1164 7.475,1165 4.069,1166 3.886,1167 3.941,1168 3.863,1169 3.699,1170 6.351,1171 3.719,1172 3.51,1173 3.513,1174 3.556,1175 3.407,1176 4.976,1177 3.394,1178 3.269,1179 3.328,1180 3.183,1181 3.027,1182 4.881,1183 3.033,1184 3.118,1185 3.127,1186 3.097,1187 2.849,1188 4.446,1189 2.891,1190 2.806,1191 2.86,1192 2.77,1193 2.712,1194 4.101,1195 2.659,1196 2.707,1197 2.784,1198 2.539,1199 2.482,1200 3.56,1201 2.487,1202 2.466,1203 2.567,1204 2.262,1205 2.266,1206 3.498,1207 2.252,1208 0.21,1209 0.163,1210 0.3,1211 0.187,1212 0.144,1213 4.61,1214 0.207,1215 3.592,1216 0.065,1217 6.602,1218 0.482,1219 4.111,1220 0.136,1221 3.162,1222 4.564,1223 1.437,1224 10.595,1225 3,1226 1.945,1227 1.933,1228 2.012,1229 2.024,1230 1.231,1231 2.026,1232 1.557,1233 1.543,1234 1.693,1235 1.757,1236 0.863,1237 1.739,1238 1.475,1239 1.449,1240 1.559,1241 1.62,1242 0.673,1243 1.603,1244 1.295,1245 1.228,1246 1.499,1247 1.526,1248 0.57,1249 1.523,1250 1.187,1251 1.115,1252 1.432,1253 1.493,1254 0.445,1255 1.506,1256 0.982,1257 0.947,1258 1.128,1259 1.172,1260 0.246,1261 1.165,1262 0.801,1263 0.783,1264 1.008,1265 0.994,1266 0.104,1267 1.034,1268 0.588,1269 0.529,1270 0.929,1271 0.871,1273 0.909,1274 3.807,1276 5.13,1277 3.045,1278 6.632,1279 5.283,1280 8.224,1281 7.298,1282 9.87,1284 1.591,1289 9.083,1290 0.673,1292 5.369,1300 22.008,1301 56.923,1302 128.126,1303 148.49,1304 153.245,1305 153.245,1306 153.245,1307 28.697,1308 6.686,1309 64.35,1310 92.59,1311 16,1312 12.278,1313 4.087,1314 3.248,1315 29.86,1316 61,1317 48,1318 0.261,1319 139.1,1320 229.38,1321 331.163,1322 5891,1324 14.113,1325 0.706,1326 0.578,1327 14.466,1328 11.554,1329 9.669,1330 0.44,1331 0.308,1332 5.922,1333 8.75,1334 5.693,1335 4.723,1336 10.077,1337 6.783,1338 8.791,1339 0.284,1340 0.176,1341 9.434,1342 5.444,1343 7.272,1344 0.177,1345 0.1,1346 8.129,1347 4.084,1348 6.101,1349 0.111,1350 0.056,1351 6.974,1352 3.099,1353 4.564,1354 0.07,1355 0.031,1356 5.338,1357 2.032,1358 0.396,1359 65.479,1360 0.262,1361 19.681,1362 0.755,1363 106,1364 359.771,1365 142.454,1366 362.649,1367 486.35,1368 338,1369 125,1370 331.885,1371 159.997,1372 354.066,1373 515.42,1374 329,1375 8.301} {0 CHEMBL47164,1 1.718,2 7.789,3 2.75,4 7.565,5 75.484,6 8.785,7 0.714,8 3.562,9 3.65,10 3.328,11 3.206,12 4.763,13 3.165,14 4.04,15 4.177,16 3.732,17 3.619,18 5.302,19 3.547,20 4.17,21 4.304,22 3.692,23 3.702,24 5.291,25 3.58,26 4.289,27 4.463,28 3.608,29 3.674,30 5.372,31 3.517,32 4.165,33 4.371,34 3.556,35 3.483,36 5.213,37 3.355,38 4.022,39 4.238,40 3.167,41 3.283,42 5.067,43 3.188,44 3.851,45 4.077,46 2.893,47 3.035,48 4.959,49 2.945,50 3.752,51 3.973,52 2.551,53 2.682,54 5.029,55 2.605,56 0.049,57 0.436,58 5.114,59 2.862,60 7.801,61 3.089,62 0.232,63 0.732,64 10.475,65 4.803,66 31.523,67 5.334,68 0.12,69 0.807,70 14.932,71 6.524,72 15.154,73 7.031,74 0.211,75 0.888,76 19.449,77 7.737,78 31.672,79 8.15,80 0.237,81 0.796,82 19.964,83 6.756,84 23.981,85 7.393,86 0.124,87 0.665,88 13.386,89 5.194,90 15.808,91 6.402,92 0.117,93 0.548,94 9.558,95 3.898,96 16.935,97 5.03,98 0.382,99 0.452,100 10.517,101 3.346,102 50.158,103 3.466,104 11,105 30,106 0.32,107 0.73,108 0.853,109 0.881,110 0.881,111 0.881,112 3.011,113 0.954,114 -3.52,115 -3.5,116 -3.34,118 45.2,119 1,124 1,140 3,141 3,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 1,175 1,177 1,180 9,181 2,186 4,191 2,194 8,195 1,198 3,203 1,206 4,207 2,210 6,215 2,218 1,219 1,222 5,227 1,230 1,234 3,235 1,239 1,246 1,247 2,250 1,260 1,270 368,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 11.517,278 7.403,279 13.071,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 15.256,287 3.521,288 10.946,289 3.236,290 1.028,291 0.371,292 0.218,293 0.218,294 0.218,295 3.685,298 1,299 1,300 1,301 318,302 2.646,305 86.007,306 46.978,309 71.109,313 1.38,314 16.238,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 41,326 148,327 4.635,328 3.583,329 6.698,330 4.148,331 3.195,332 4.591,333 1.437,334 10.809,335 3.05,336 4.063,337 3.29,338 5.944,339 3.693,340 2.707,341 3.564,342 0.522,343 8.297,344 2.662,345 3.908,346 2.701,347 5.579,348 3.445,349 2.515,350 3.441,352 7.388,353 2.327,354 3.413,355 2.272,356 5.218,357 2.958,358 2,359 2.729,361 6.145,362 1.897,363 3.15,364 1.856,365 4.776,366 2.601,367 1.694,368 2.447,370 4.991,371 1.51,372 2.772,373 1.706,374 3.794,375 2.259,376 1.276,377 1.802,379 2.956,380 1.239,381 2.574,382 1.263,383 3.606,384 2.067,385 1.124,386 1.591,388 2.578,389 1.051,390 2.186,391 0.98,392 3.368,393 1.726,394 0.772,395 1.052,397 1.935,398 0.725,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.218,409 0.446,410 2.776,411 0.837,412 -0.072,413 -0.091,415 -0.198,416 -0.065,417 0.871,418 0.128,419 2.354,420 0.431,421 -0.538,422 -0.685,424 -1.371,425 -0.507,426 0.657,427 -0.327,428 2.264,429 0.198,430 -0.748,431 -1.003,433 -2,434 -0.693,435 0.43,436 -0.655,437 2.085,438 -0.009,439 -1,440 -1.377,442 -2.157,443 -0.971,444 0.228,445 -1.045,446 1.671,447 -0.192,448 -1.144,449 -1.584,451 -3.226,452 -1.087,453 -0.118,454 -1.184,455 1.359,456 -0.488,457 -1.453,458 -1.777,460 -3.617,461 -1.392,462 9.3,463 0.489,464 0.524,465 0.028,466 25.75,467 1.355,468 13.5,469 0.711,470 12.25,471 0.645,472 13.474,473 0.709,474 19.5,475 0.629,476 15.717,477 0.827,478 5.082,479 0.267,480 4.065,481 0.214,482 0.125,484 0.366,487 0.797,488 1.119,489 0.698,490 0.826,491 0.709,492 0.804,493 0.584,494 0.694,495 0.771,496 0.669,497 0.371,498 0.7,499 0.694,500 1.158,501 1.28,502 1.324,503 0.644,504 1.206,505 0.975,506 1.158,507 1.416,508 1.321,509 0.949,510 1.241,511 0.767,512 1.049,513 1.145,514 1.225,515 0.778,516 0.978,517 0.675,518 1.162,519 0.87,520 1.065,521 0.593,522 1.062,523 0.812,524 1.097,525 0.683,526 0.923,527 0.738,528 1.109,529 2.16,530 0.678,531 0.992,532 0.562,533 2.604,534 0.93,535 4,536 0.04,537 2.222,538 1.799,539 0.808,540 0.73,541 0.412,542 0.101,543 0.099,544 0.055,545 3219,546 10447,547 2.081,548 38.7,549 3,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.99,561 -0.249,563 1,565 1,567 53.258,568 1.718,569 3.926,570 4.583,571 4.736,572 4.736,573 4.736,574 2.484,575 3.827,576 4.217,577 3.121,578 533.671,579 7.184,580 5143.53,581 1,582 1,583 1,584 1,585 153.58,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.067,592 0.035,593 0.035,594 0.023,595 0.008,596 0.012,597 0.009,598 0.463,599 0.67,600 1,601 0.868,602 81.716,603 -0.088,604 -0.099,605 0.044,606 0.056,607 -0.092,608 0.037,609 0.145,610 0.38,611 0.117,612 0.277,613 0.227,614 0.191,615 -0.052,616 -0.172,617 -0.191,618 -0.22,619 0.001,620 -0.235,621 -0.129,622 -0.186,623 -0.225,624 -0.185,625 -0.091,626 -0.228,627 0.055,628 -0.063,629 0.101,630 -0.079,631 -0.005,632 0.077,633 0.035,634 -0.233,635 -0.021,636 -0.179,637 0.051,638 -0.059,639 -0.01,640 -0.182,642 -0.163,643 0.013,644 -0.139,645 -0.274,646 0.225,647 -0.187,648 0.218,649 -0.522,650 -0.015,651 2.552,652 3.985,653 0.737,654 13.795,655 1.011,656 1.11,657 2.29,658 5.245,659 0.722,660 3.091,661 3.434,662 3.714,663 3.97,664 4.111,665 4.248,666 4.419,667 4.419,668 4.304,669 4.248,670 4.812,671 0.687,672 272.35,673 3.091,674 4.635,675 5.493,676 6.378,677 7.258,678 8.15,679 9.038,680 9.934,681 10.828,682 11.726,683 6.5,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,724 31,726 16,727 1,728 21,730 33,731 14,733 11,734 3,735 3,736 1,739 3,740 4,745 1,753 12,754 2,756 1,761 1,765 1,768 1,769 1,772 12,773 3,774 1,775 5,776 1,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,836 1,840 19,845 1,846 1,856 1,862 6.5,864 1,865 1,869 9.833,870 5.933,871 4.111,872 1.722,874 2.887,875 1.437,876 0.988,877 3.109,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.787,884 6.22,885 6.719,886 7.053,887 7.141,888 7.387,889 1,890 27,891 6.987,893 2.991,894 7.886,895 13.223,897 10.918,899 2.386,900 45.333,901 0.001,904 129.482,905 109.309,906 18.685,908 67.828,910 31.278,911 78.031,912 197.31,913 18.685,914 8.825,915 2.106,916 37.476,917 117.684,918 19.891,919 13.875,920 125.447,922 129.482,923 96.716,924 67.828,925 31.278,927 129.482,928 67.828,931 30.496,932 49.434,933 16.786,934 31.278,935 129.482,936 86.513,937 109.309,940 129.482,941 45.342,942 65.866,944 84.614,945 129.482,946 86.513,947 109.309,949 0.59,950 0.345,951 0.179,952 0.089,953 16,954 7,955 0.091,956 3,957 1,958 1.143,959 3.155,960 141.891,961 0.143,962 14,963 80.711,964 1,968 12.363,969 4.779,970 2.281,971 2.151,972 84.614,973 10.754,974 4.029,977 1.642,978 2.782,979 2.01,980 42.683,981 325.304,982 29.5,987 10.985,991 -0.885,994 31.353,995 34.411,996 0.347,997 0.792,998 0.925,999 0.956,1000 0.956,1001 0.956,1002 4.642,1003 0.772,1004 5.493,1005 2.578,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 4.007,1011 5.882,1012 0.618,1013 7.066,1014 1.935,1015 3.761,1016 4.677,1018 7.235,1019 3.625,1020 7.209,1021 -0.072,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.337,1028 5.532,1029 8.576,1030 -0.538,1031 10.466,1032 -0.198,1033 6.196,1034 7.838,1036 12.084,1037 5.973,1038 9.975,1039 -0.748,1040 12.23,1041 -1.371,1042 7.633,1043 9.68,1044 2.925,1045 14.702,1046 7.368,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.802,1055 8.167,1056 12.838,1057 -1.144,1058 15.826,1059 -2.157,1060 9.717,1061 12.486,1062 3.619,1063 19.259,1064 9.372,1065 3.195,1066 -1.453,1067 17.647,1068 -3.226,1069 10.723,1070 13.846,1072 21.515,1073 10.331,1074 2.707,1075 10.809,1076 19.48,1077 -3.617,1078 11.896,1079 15.402,1080 4.33,1081 23.916,1082 11.465,1083 2.515,1084 8.297,1085 21.322,1086 4.591,1087 12.977,1088 16.85,1090 26.24,1091 12.498,1092 2,1093 7.388,1094 23.172,1095 3.564,1096 14.128,1097 18.379,1098 5.047,1099 28.624,1100 13.607,1101 1.694,1102 6.145,1103 25.029,1104 3.441,1105 15.245,1106 19.867,1108 30.978,1109 14.675,1110 1.276,1111 4.991,1112 26.891,1113 2.729,1114 16.391,1115 21.389,1116 5.769,1117 33.358,1118 15.777,1119 1.124,1120 2.956,1121 28.759,1122 2.447,1123 17.526,1124 22.895,1126 35.725,1127 16.863,1128 3165,1129 5794,1130 13.929,1131 22.375,1132 32.353,1133 32.649,1134 32.536,1135 31.846,1136 31.803,1137 44.287,1138 3.916,1139 92.941,1140 30.077,1141 5.42,1142 5.583,1143 6.312,1144 5.282,1145 5.195,1146 7.591,1147 2.873,1148 17.904,1149 5.05,1150 8.961,1151 1.541,1152 1.555,1153 1.549,1154 1.516,1155 1.514,1156 2.109,1157 0.186,1158 4.426,1159 1.432,1160 4.115,1161 4.125,1162 4.347,1163 4.133,1164 7.475,1165 4.084,1166 3.883,1167 3.943,1168 3.83,1169 3.684,1170 6.351,1171 3.712,1172 3.544,1173 3.556,1174 3.6,1175 3.449,1176 4.964,1177 3.438,1178 3.137,1179 3.152,1180 3.161,1181 2.993,1182 4.803,1183 2.942,1184 3.059,1185 3.14,1186 3.01,1187 2.867,1188 4.157,1189 2.874,1190 2.867,1191 2.929,1192 2.726,1193 2.725,1194 3.765,1195 2.704,1196 2.602,1197 2.661,1198 2.459,1199 2.362,1200 3.63,1201 2.369,1202 2.47,1203 2.568,1204 2.263,1205 2.271,1206 3.422,1207 2.261,1208 0.221,1209 0.171,1210 0.319,1211 0.198,1212 0.152,1213 4.635,1214 0.219,1215 3.583,1216 0.068,1217 6.698,1218 0.515,1219 4.148,1220 0.145,1221 3.195,1222 4.591,1223 1.437,1224 10.809,1225 3.05,1226 1.943,1227 1.931,1228 2.015,1229 2.001,1230 1.192,1231 2.009,1232 1.695,1233 1.663,1234 1.799,1235 1.854,1236 1.068,1237 1.856,1238 1.407,1239 1.354,1240 1.624,1241 1.594,1242 0.725,1243 1.607,1244 1.288,1245 1.224,1246 1.472,1247 1.524,1248 0.46,1249 1.512,1250 1.114,1251 1.126,1252 1.209,1253 1.358,1254 0.307,1255 1.305,1256 0.962,1257 0.905,1258 1.144,1259 1.14,1260 0.2,1261 1.203,1262 0.78,1263 0.698,1264 1.066,1265 0.982,1266 0.174,1267 1.028,1268 0.478,1269 0.442,1270 0.769,1271 0.758,1273 0.774,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1284 2.075,1289 9.02,1290 0.771,1300 21.294,1301 53.258,1302 121.706,1303 142.07,1304 146.825,1305 146.825,1306 146.825,1307 25.426,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.251,1313 4.087,1314 3.248,1315 27.812,1316 56,1317 45,1318 0.261,1319 135.103,1320 220.59,1321 321.412,1322 5367,1324 13.405,1325 0.706,1326 0.587,1327 13.759,1328 11.146,1329 9.148,1330 0.436,1331 0.318,1332 5.857,1333 8.379,1334 5.607,1335 4.648,1336 9.556,1337 6.676,1338 8.482,1339 0.283,1340 0.185,1341 9.124,1342 5.538,1343 7.16,1344 0.179,1345 0.11,1346 7.967,1347 4.409,1348 5.831,1349 0.112,1350 0.065,1351 6.795,1352 3.365,1353 4.212,1354 0.07,1355 0.037,1356 5.116,1357 2.245,1358 0.398,1359 61.237,1360 0.268,1361 18.849,1362 0.751,1363 102,1364 312.036,1365 135.576,1366 324.562,1367 438.83,1368 302,1369 121,1370 302.339,1371 152.175,1372 325.02,1373 473.62,1374 304,1375 7.745} {0 CHEMBL47165,1 1.928,2 7.789,3 2.929,4 8.577,5 75.247,6 10.456,7 0.714,8 3.486,9 3.555,10 3.387,11 3.169,12 4.741,13 3.135,14 3.949,15 4.052,16 3.816,17 3.589,18 5.298,19 3.523,20 4.097,21 4.21,22 3.926,23 3.672,24 5.315,25 3.546,26 4.143,27 4.298,28 3.74,29 3.555,30 5.363,31 3.425,32 3.887,33 4.005,34 3.698,35 3.372,36 5.152,37 3.264,38 3.769,39 3.922,40 3.382,41 3.142,42 5.037,43 3.079,44 3.519,45 3.66,46 3.116,47 2.847,48 4.984,49 2.808,50 3.487,51 3.693,52 2.509,53 2.582,54 4.727,55 2.503,56 0.099,57 0.381,58 2.408,59 2.271,60 9.913,61 2.152,62 0.27,63 0.644,64 5.425,65 3.796,66 31.081,67 3.545,68 0.223,69 0.698,70 14.653,71 5.929,72 17.209,73 5.568,74 0.393,75 0.69,76 17.098,77 6.221,78 43.099,79 6.053,80 0.264,81 0.557,82 16.18,83 5.397,84 28.54,85 4.696,86 0.236,87 0.474,88 12.446,89 3.981,90 23.19,91 4.003,92 0.256,93 0.352,94 6.788,95 2.661,96 29.932,97 2.836,98 0.293,99 0.368,100 7.565,101 2.733,102 28.358,103 2.786,104 11,105 30,106 0.366,107 0.762,108 0.867,109 0.899,110 0.899,111 0.899,112 3.011,113 0.963,114 -3.79,115 -3.75,116 -3.56,118 46.4,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 1,175 1,177 1,180 7,181 2,186 3,191 2,194 6,195 1,198 3,203 1,206 3,207 2,210 5,215 2,218 1,222 4,230 1,234 3,235 1,239 1,246 1,247 2,250 1,260 1,270 368,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 10.915,278 7.403,279 13.162,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 14.222,287 3.521,288 11.164,289 2.88,290 0.795,291 0.241,292 0.071,293 0.071,294 0.071,295 3.685,297 1,299 1,300 1,301 318,302 2.646,305 86.007,306 46.978,309 71.109,313 1.38,314 20.298,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 41.333,326 148,327 4.635,328 3.586,329 6.698,330 4.118,331 3.195,332 4.591,333 1.437,334 10.809,335 2.952,336 4.063,337 3.411,338 5.944,339 3.683,340 2.707,341 3.564,342 0.522,343 8.297,344 2.604,345 3.908,346 2.707,347 5.579,348 3.443,349 2.515,350 3.441,352 7.388,353 2.325,354 3.413,355 2.376,356 5.218,357 2.935,358 2,359 2.729,361 6.145,362 1.831,363 3.15,364 1.957,365 4.776,366 2.572,367 1.694,368 2.447,370 4.991,371 1.458,372 2.772,373 1.751,374 3.794,375 2.255,376 1.276,377 1.802,379 2.956,380 1.231,381 2.574,382 1.324,383 3.606,384 2.057,385 1.124,386 1.591,388 2.578,389 1.035,390 2.186,391 1.099,392 3.368,393 1.636,394 0.772,395 1.052,397 1.935,398 0.605,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.218,409 0.456,410 2.776,411 0.796,412 -0.072,413 -0.091,415 -0.198,416 -0.058,417 0.871,418 0.174,419 2.354,420 0.366,421 -0.538,422 -0.685,424 -1.371,425 -0.41,426 0.657,427 -0.186,428 2.264,429 0.161,430 -0.748,431 -1.003,433 -2,434 -0.685,435 0.43,436 -0.644,437 2.085,438 -0.012,439 -1,440 -1.377,442 -2.157,443 -0.951,444 0.228,445 -1.002,446 1.671,447 -0.267,448 -1.144,449 -1.584,451 -3.226,452 -0.989,453 -0.118,454 -1.132,455 1.359,456 -0.598,457 -1.453,458 -1.777,460 -3.617,461 -1.273,462 9.514,463 0.501,464 0.524,465 0.028,466 26,467 1.368,468 13.5,469 0.711,470 12.5,471 0.658,472 13.365,473 0.703,474 19.286,475 0.689,476 15.826,477 0.833,478 5.114,479 0.269,480 4.034,481 0.212,482 0.145,484 0.357,487 0.772,488 1.098,489 0.581,490 0.722,491 0.698,492 0.704,493 0.626,494 0.715,495 0.712,496 0.633,497 0.413,498 0.687,499 0.757,500 1.185,501 1.057,502 1.232,503 0.698,504 1.161,505 1.156,506 0.905,507 1.285,508 1.047,509 1.12,510 1.077,511 1.066,512 1.226,513 1.506,514 1.499,515 1.066,516 1.097,517 1.024,518 1.144,519 1.276,520 1.158,521 0.829,522 1.062,523 0.621,524 1.146,525 0.833,526 1.116,527 0.665,528 1.227,529 1.208,530 0.83,531 0.843,532 0.745,533 1.539,534 1.119,535 4,536 0.04,537 2.222,538 1.799,539 0.808,540 0.73,541 0.412,542 0.101,543 0.099,544 0.055,545 3219,546 12295,547 2.081,548 32.1,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.99,561 -0.198,563 1,565 1,567 53.971,568 1.928,569 4.012,570 4.566,571 4.736,572 4.736,573 4.736,574 2.484,575 3.827,576 4.217,577 3.121,578 533.671,579 7.184,580 5143.53,581 1,582 1,583 1,584 1,585 134.606,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.067,592 0.035,593 0.035,594 0.023,595 0.008,596 0.012,597 0.009,598 0.463,599 0.67,600 1,601 0.868,602 81.716,603 -0.113,604 -0.101,605 0.004,606 0.059,607 -0.099,608 0.038,609 0.066,610 0.362,611 0.016,612 0.236,613 0.184,614 0.116,615 -0.039,616 -0.23,617 0.001,618 -0.155,619 -0.008,620 -0.195,621 -0.161,622 0.024,623 -0.111,624 0.016,625 -0.148,626 -0.031,627 -0.081,628 -0.259,629 -0.123,630 -0.26,631 -0.114,632 -0.059,633 -0.066,634 -0.195,635 -0.147,636 -0.228,637 -0.009,638 -0.076,639 0.351,640 -0.273,641 0.013,642 -0.359,643 0.262,644 -0.297,645 -0.041,646 0.136,647 -0.119,648 0.073,649 -0.287,650 -0.098,651 2.595,652 3.952,653 0.737,654 13.795,655 1.028,656 1.105,657 2.558,658 6.544,659 0.767,660 3.091,661 3.434,662 3.714,663 3.97,664 4.111,665 4.248,666 4.419,667 4.419,668 4.304,669 4.248,670 4.812,671 0.736,672 292.76,673 3.091,674 4.635,675 5.493,676 6.378,677 7.258,678 8.15,679 9.038,680 9.934,681 10.828,682 11.726,683 7.1,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,723 1,724 28,726 16,727 1,728 21,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,741 1,753 12,754 1,756 1,761 1,765 1,769 1,772 9,773 3,774 1,775 6,776 2,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,837 1,840 19,845 1,846 1,856 1,861 1,862 7.1,864 1,865 1,869 9.833,870 5.076,871 4.111,872 1.508,874 2.887,875 1.437,876 0.993,877 3.288,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.787,884 6.22,885 6.719,886 7.053,887 7.141,888 7.387,889 1,890 27,891 6.976,893 3.024,894 7.997,895 13.009,897 10.752,899 2.497,900 47.444,901 0.001,904 94.169,905 100.799,906 18.685,907 39.149,908 67.828,910 31.278,911 69.521,912 201.146,913 18.685,915 2.106,916 37.476,917 117.684,918 20.206,919 13.875,920 90.133,921 39.149,922 94.169,923 88.206,924 67.828,925 70.426,927 94.169,928 67.828,931 21.671,932 49.749,933 55.934,934 31.278,935 94.169,936 86.513,937 139.947,940 94.169,941 45.657,942 57.041,944 123.762,945 94.169,946 86.513,947 139.947,949 0.59,950 0.345,951 0.179,952 0.089,953 16,954 7,955 0.1,956 3,957 1,958 1.143,959 3.155,960 141.891,961 0.143,962 14,963 80.711,964 1,968 12.634,969 4.945,970 2.378,971 1.784,972 84.614,973 10.293,974 3.986,977 1.51,978 1.961,979 1.925,980 42.683,981 320.629,982 29.5,987 10.952,991 -0.928,994 28.793,995 30.94,996 0.401,997 0.835,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.642,1003 0.772,1004 5.493,1005 2.578,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 3.963,1011 5.882,1012 0.618,1013 7.066,1014 1.935,1015 3.761,1016 4.677,1018 7.235,1019 3.524,1020 7.209,1021 -0.072,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.337,1028 5.448,1029 8.576,1030 -0.538,1031 10.466,1032 -0.198,1033 6.196,1034 7.838,1036 12.084,1037 5.821,1038 9.975,1039 -0.748,1040 12.23,1041 -1.371,1042 7.633,1043 9.68,1044 2.925,1045 14.702,1046 7.227,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.802,1055 7.962,1056 12.838,1057 -1.144,1058 15.826,1059 -2.157,1060 9.717,1061 12.486,1062 3.619,1063 19.259,1064 9.163,1065 3.195,1066 -1.453,1067 17.647,1068 -3.226,1069 10.723,1070 13.846,1072 21.515,1073 10.067,1074 2.707,1075 10.809,1076 19.48,1077 -3.617,1078 11.896,1079 15.402,1080 4.33,1081 23.916,1082 11.184,1083 2.515,1084 8.297,1085 21.322,1086 4.591,1087 12.977,1088 16.85,1090 26.24,1091 12.169,1092 2,1093 7.388,1094 23.172,1095 3.564,1096 14.128,1097 18.379,1098 5.047,1099 28.624,1100 13.253,1101 1.694,1102 6.145,1103 25.029,1104 3.441,1105 15.245,1106 19.867,1108 30.978,1109 14.279,1110 1.276,1111 4.991,1112 26.891,1113 2.729,1114 16.391,1115 21.389,1116 5.769,1117 33.358,1118 15.351,1119 1.124,1120 2.956,1121 28.759,1122 2.447,1123 17.526,1124 22.895,1126 35.725,1127 16.398,1128 3165,1129 6274,1130 13.929,1131 21.472,1132 32.353,1133 32.952,1134 32.536,1135 31.965,1136 31.803,1137 44.287,1138 3.916,1139 92.941,1140 29.236,1141 5.42,1142 5.586,1143 6.312,1144 5.255,1145 5.195,1146 7.591,1147 2.873,1148 17.904,1149 4.952,1150 8.961,1151 1.541,1152 1.569,1153 1.549,1154 1.522,1155 1.514,1156 2.109,1157 0.186,1158 4.426,1159 1.392,1160 4.105,1161 4.112,1162 4.39,1163 4.127,1164 7.475,1165 4.076,1166 3.882,1167 3.941,1168 3.83,1169 3.684,1170 6.351,1171 3.712,1172 3.513,1173 3.506,1174 3.63,1175 3.432,1176 5,1177 3.414,1178 3.127,1179 3.149,1180 3.463,1181 2.943,1182 4.91,1183 2.938,1184 2.876,1185 2.929,1186 3.097,1187 2.788,1188 4.472,1189 2.76,1190 2.771,1191 2.806,1192 2.769,1193 2.538,1194 3.936,1195 2.555,1196 2.471,1197 2.57,1198 2.49,1199 2.282,1200 3.64,1201 2.264,1202 2.19,1203 2.265,1204 2.263,1205 2.095,1206 3.496,1207 2.001,1208 0.221,1209 0.171,1210 0.319,1211 0.196,1212 0.152,1213 4.635,1214 0.219,1215 3.586,1216 0.068,1217 6.698,1218 0.515,1219 4.118,1220 0.141,1221 3.195,1222 4.591,1223 1.437,1224 10.809,1225 2.952,1226 1.932,1227 1.923,1228 1.984,1229 1.985,1230 1.158,1231 1.993,1232 1.665,1233 1.631,1234 1.766,1235 1.843,1236 1.044,1237 1.838,1238 1.333,1239 1.295,1240 1.485,1241 1.527,1242 0.534,1243 1.519,1244 1.245,1245 1.204,1246 1.306,1247 1.456,1248 0.36,1249 1.41,1250 1.114,1251 1.123,1252 1.144,1253 1.27,1254 0.271,1255 1.283,1256 0.84,1257 0.792,1258 1.079,1259 0.998,1260 0.174,1261 1.046,1262 0.581,1263 0.537,1264 0.832,1265 0.859,1267 0.879,1268 0.325,1269 0.264,1270 0.506,1271 0.532,1273 0.607,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1285 6.335,1289 8.987,1290 0.639,1300 20.594,1301 53.971,1302 112.341,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 27.881,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.251,1313 4.087,1314 3.248,1315 27.812,1316 56,1317 45,1318 0.261,1319 133.844,1320 218.5,1321 318.339,1322 5367,1323 3.6,1324 13.405,1325 0.706,1326 0.594,1327 14.259,1328 11.28,1329 9.148,1330 0.436,1331 0.321,1332 5.576,1333 8.118,1334 5.36,1335 4.401,1336 9.845,1337 6.743,1338 8.482,1339 0.283,1340 0.187,1341 9.458,1342 5.605,1343 7.16,1344 0.179,1345 0.113,1346 8.475,1347 4.509,1348 5.831,1349 0.112,1350 0.066,1351 7.218,1352 3.438,1353 4.212,1354 0.07,1355 0.038,1356 5.49,1357 2.3,1358 0.398,1359 64.412,1360 0.268,1361 18.849,1362 0.751,1363 102,1364 338.239,1365 151.095,1366 378.142,1367 497.87,1368 350,1369 121,1370 319.202,1371 169.097,1372 350.603,1373 513.64,1374 328,1375 7.398} {0 CHEMBL47189,1 1.928,2 7.737,3 3.013,4 9.076,5 78.065,6 12.043,7 0.714,8 3.483,9 3.552,10 3.505,11 3.19,12 4.721,13 3.143,14 3.945,15 4.048,16 3.967,17 3.616,18 5.275,19 3.535,20 4.091,21 4.204,22 4.272,23 3.729,24 5.267,25 3.57,26 4.134,27 4.288,28 3.975,29 3.596,30 5.299,31 3.443,32 3.875,33 3.995,34 4.012,35 3.462,36 5.094,37 3.32,38 3.829,39 3.962,40 4.056,41 3.245,42 5.182,43 3.157,44 3.449,45 3.614,46 2.754,47 2.845,48 4.545,49 2.738,50 3.45,51 3.658,52 2.488,53 2.546,54 4.69,55 2.479,56 0.087,57 0.371,58 0.352,59 2.231,60 8.664,61 2.133,62 0.255,63 0.636,64 1.963,65 3.829,66 29.543,67 3.524,68 0.193,69 0.691,70 16.698,71 6.493,72 14.754,73 5.705,74 0.331,75 0.694,76 27.075,77 7.186,78 36.493,79 6.443,80 0.202,81 0.539,82 13.462,83 5.38,84 23.822,85 4.835,86 0.298,87 0.498,88 27.42,89 5.642,90 22.939,91 4.339,92 0.109,93 0.354,94 13.787,95 3.16,96 9.591,97 3.23,98 0.264,99 0.37,100 5.024,101 2.631,102 25.236,103 2.617,104 11,105 30,106 0.366,107 0.762,108 0.867,109 0.899,110 0.899,111 0.899,112 3.011,113 1.023,114 -3.92,115 -3.87,116 -3.67,117 1,118 46.4,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 1,175 1,177 1,180 7,181 2,186 3,191 2,194 6,195 2,198 4,203 2,206 3,210 3,218 1,219 2,222 6,227 2,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 10.949,278 7.406,279 13.179,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 14.281,287 3.525,288 11.21,289 2.88,290 0.795,291 0.241,292 0.071,293 0.071,294 0.071,295 3.685,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 17.697,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 40.75,326 147,327 4.638,328 3.588,329 6.704,330 4.12,331 3.198,332 4.594,333 1.437,334 10.835,335 2.952,336 4.05,337 3.393,338 5.922,339 3.667,340 2.696,341 3.55,342 0.522,343 8.225,344 2.57,345 3.904,346 2.707,347 5.583,348 3.438,349 2.51,350 3.427,352 7.379,353 2.32,354 3.457,355 2.348,356 5.231,357 2.96,358 2.035,359 2.817,361 6.218,362 1.837,363 3.125,364 1.965,365 4.78,366 2.573,367 1.684,368 2.387,370 4.99,371 1.47,372 2.766,373 1.784,374 3.803,375 2.232,376 1.249,377 1.785,379 2.928,380 1.204,381 2.573,382 1.248,383 3.591,384 2.058,385 1.134,386 1.598,388 2.58,389 1.033,390 2.175,391 1.092,392 3.368,393 1.606,394 0.761,395 1.04,397 1.912,398 0.577,399 2.118,400 0.618,401 3,402 1.553,403 0.618,404 0.927,406 1.372,407 0.555,408 1.283,409 0.481,410 2.773,411 0.848,412 -0.019,413 -0.023,415 -0.049,416 -0.014,417 0.796,418 0.222,419 2.379,420 0.312,421 -0.564,422 -0.713,424 -1.469,425 -0.405,426 0.649,427 -0.245,428 2.241,429 0.133,430 -0.819,431 -1.14,433 -2,434 -0.722,435 0.446,436 -0.701,437 2.087,438 -0.009,439 -1,440 -1.303,442 -2.496,443 -0.894,444 0.251,445 -0.905,446 1.666,447 -0.233,448 -1.065,449 -1.487,451 -2.869,452 -0.981,453 -0.118,454 -1.174,455 1.338,456 -0.625,457 -1.471,458 -1.828,460 -3.618,461 -1.264,462 10.133,463 0.533,464 0.524,465 0.028,466 25.75,467 1.355,468 13.5,469 0.711,470 12.25,471 0.645,472 15.029,473 0.791,474 18.667,475 0.667,476 14.211,477 0.748,478 4.843,479 0.255,480 4.305,481 0.227,482 0.197,484 0.336,487 0.802,488 1.071,489 0.488,490 0.649,491 0.709,492 0.677,493 0.624,494 0.682,495 0.605,496 0.589,497 0.393,498 0.663,499 0.731,500 1.119,501 0.904,502 1.091,503 0.667,504 1.116,505 1.113,506 0.964,507 1.448,508 1.201,509 1.07,510 1.134,511 1.024,512 1.099,513 1.457,514 1.181,515 1,516 0.99,517 0.853,518 1.225,519 2.047,520 1.682,521 0.873,522 1.208,523 0.726,524 1.281,525 1.114,526 1.279,527 0.608,528 1.391,529 1.238,530 0.853,531 0.196,532 0.549,533 1.626,534 1.005,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 12215,547 2.081,548 32.1,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.969,561 -0.198,563 1,565 1,567 53.971,568 1.928,569 4.012,570 4.566,571 4.736,572 4.736,573 4.736,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,583 1,584 1,585 134.606,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.5,600 1,601 0.868,602 81.64,603 -0.119,604 -0.096,605 -0.007,606 0.049,607 -0.099,608 0.036,609 0.084,610 0.383,611 0.001,612 0.208,613 0.205,614 0.118,615 -0.044,616 -0.176,617 0.071,618 -0.05,619 -0.003,620 -0.156,621 -0.163,622 -0.035,623 -0.148,624 -0.085,625 -0.129,626 -0.07,627 -0.109,628 -0.171,629 -0.064,630 -0.015,631 -0.094,632 0.035,633 0.229,634 -0.274,635 -0.116,636 -0.451,637 0.114,638 -0.153,639 -0.061,640 -0.371,641 -0.227,642 -0.427,643 -0.045,644 -0.407,645 0.015,646 0.149,647 0.045,648 0.14,649 -0.276,650 -0.036,651 2.573,652 3.995,653 0.737,654 13.645,655 1.025,656 1.101,657 2.687,658 7.221,659 0.785,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.743,672 337.21,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 7.1,691 1,693 1,698 2,699 6,700 1,703 1,704 3,705 1,706 15,714 1,723 1,724 28,726 16,727 1,728 21,729 1,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,753 12,754 1,756 1,761 1,765 1,769 1,772 9,773 3,774 1,775 6,776 2,778 1,779 2,784 0.667,785 2,801 2,802 1,805 1,830 1,832 2,834 1,835 1,840 19,845 1,846 1,856 1,861 1,862 7.1,864 1,865 1,869 9.833,870 5.076,871 4.111,872 1.508,874 2.886,875 1.437,876 1,877 3.414,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.978,893 3.002,894 7.925,895 13.119,897 10.837,899 2.425,900 46.083,901 0.001,904 94.169,905 100.353,906 64.639,908 67.828,910 31.278,911 115.03,912 161.997,913 18.685,915 2.106,916 37.476,917 117.684,918 19.76,919 13.875,920 90.133,921 45.954,922 94.169,923 87.76,924 67.828,925 31.278,926 45.954,927 94.169,928 67.828,931 21.671,932 49.304,933 16.786,934 77.232,935 94.169,936 86.513,937 146.307,940 94.169,941 45.211,942 57.041,943 45.954,944 84.614,945 94.169,946 86.513,947 146.307,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.1,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,964 1,968 12.82,969 5.059,970 2.446,971 2.02,972 84.614,973 10.596,974 4.014,977 1.654,978 2.417,979 1.98,980 42.683,981 326.989,982 29.5,987 10.995,991 -0.906,994 28.698,995 30.838,996 0.401,997 0.835,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 3.955,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.507,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.435,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 5.798,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.208,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 7.935,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.139,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.039,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.157,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.141,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 13.226,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 14.252,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 15.325,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 16.373,1128 3153,1129 6243,1130 13.929,1131 21.966,1132 32.326,1133 32.903,1134 32.535,1135 31.96,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 29.035,1141 5.422,1142 5.588,1143 6.318,1144 5.257,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 4.952,1150 8.916,1151 1.539,1152 1.567,1153 1.549,1154 1.522,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.383,1160 4.104,1161 4.111,1162 6.881,1163 4.137,1164 7.475,1165 4.079,1166 3.882,1167 3.941,1168 4.288,1169 3.684,1170 6.351,1171 3.712,1172 3.507,1173 3.5,1174 3.83,1175 3.442,1176 4.964,1177 3.415,1178 3.139,1179 3.157,1180 3.607,1181 2.968,1182 4.806,1183 2.959,1184 2.907,1185 2.97,1186 3.056,1187 2.806,1188 4.149,1189 2.776,1190 2.696,1191 2.728,1192 2.807,1193 2.501,1194 3.705,1195 2.487,1196 2.47,1197 2.569,1198 2.686,1199 2.361,1200 3.58,1201 2.265,1202 2.24,1203 2.291,1204 2.262,1205 2.274,1206 3.329,1207 2.173,1208 0.221,1209 0.171,1210 0.319,1211 0.196,1212 0.152,1213 4.638,1214 0.219,1215 3.588,1216 0.068,1217 6.704,1218 0.516,1219 4.12,1220 0.141,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 2.952,1226 1.933,1227 1.924,1228 1.98,1229 1.984,1230 1.163,1231 1.992,1232 1.665,1233 1.632,1234 1.764,1235 1.841,1236 1.047,1237 1.837,1238 1.33,1239 1.288,1240 1.483,1241 1.526,1242 0.542,1243 1.518,1244 1.226,1245 1.183,1246 1.272,1247 1.418,1248 0.364,1249 1.361,1250 1.16,1251 1.173,1252 1.181,1253 1.321,1254 0.281,1255 1.347,1256 0.824,1257 0.773,1258 1.091,1259 0.996,1260 0.175,1261 1.044,1262 0.527,1263 0.506,1264 0.738,1265 0.779,1267 0.807,1268 0.393,1269 0.317,1270 0.539,1271 0.558,1273 0.657,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1283 3.565,1289 9.025,1290 0.725,1300 20.792,1301 53.971,1302 112.341,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 26.154,1308 6.603,1309 55.12,1310 83.36,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 137.425,1320 222.57,1321 327.076,1322 5367,1323 3.6,1324 13.405,1325 0.706,1326 0.637,1327 14.759,1328 12.11,1329 9.148,1330 0.436,1331 0.341,1332 5.595,1333 7.895,1334 5.36,1335 4.401,1336 10.133,1337 7.158,1338 8.482,1339 0.283,1340 0.201,1341 9.791,1342 6.02,1343 7.167,1344 0.179,1345 0.129,1346 9.01,1347 5.15,1348 5.782,1349 0.111,1350 0.073,1351 7.515,1352 3.812,1353 4.286,1354 0.07,1355 0.044,1356 5.973,1357 2.71,1358 0.399,1359 69.608,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 330.69,1365 201.447,1366 378.142,1367 497.87,1368 350,1369 121,1370 316.072,1371 201.186,1372 350.602,1373 513.62,1374 328,1375 7.569} {0 CHEMBL47612,1 1.792,2 11.781,3 4.023,4 16.187,5 119.235,6 8.722,7 0.629,8 4.07,9 4.156,10 3.889,11 3.674,12 5.261,13 3.652,14 4.582,15 4.705,16 4.192,17 4.057,18 6.019,19 4.023,20 4.843,21 5.008,22 4.222,23 4.191,24 6.073,25 4.12,26 4.918,27 5.111,28 4.164,29 4.18,30 6.133,31 4.094,32 4.851,33 5.036,34 4.172,35 4.145,36 6.04,37 4.078,38 4.862,39 5.048,40 4.221,41 4.145,42 6.251,43 4.086,44 4.84,45 5.033,46 4.129,47 4.12,48 6.039,49 4.046,50 4.837,51 5.032,52 4.034,53 4.037,54 6.065,55 3.956,56 0.162,57 0.827,58 10.519,59 5.049,60 26.78,61 5.172,62 0.5,63 1.322,64 16.882,65 8.177,66 75.66,67 9.012,68 0.578,69 1.658,70 26.818,71 11.305,72 81.167,73 12.073,74 0.773,75 1.685,76 33.423,77 12.259,78 93.771,79 13.541,80 0.586,81 1.542,82 28.504,83 11.509,84 95.318,85 13.191,86 0.828,87 1.61,88 27.095,89 10.864,90 130.687,91 13,92 0.559,93 1.54,94 29.129,95 11.525,96 67.192,97 13.618,98 0.746,99 1.496,100 29.982,101 10.959,102 118.129,103 11.908,104 29,105 50,106 0.293,107 0.64,108 0.799,109 0.883,110 0.883,111 0.883,112 3.503,113 0.969,114 -3.51,115 -3.48,116 -3.32,118 44.2,120 2,124 1,140 9,141 3,142 3,143 2,149 1,150 1,154 1,163 1,167 1,168 9,169 1,171 1,172 7,175 3,177 3,180 9,186 9,187 1,191 4,194 9,197 1,198 10,201 1,203 3,206 8,210 6,213 1,215 1,218 11,219 3,221 1,222 7,227 4,229 12,230 3,233 2,234 6,239 5,242 9,243 1,247 7,250 1,252 2,253 1,255 6,256 1,259 7,260 1,262 1,263 1,264 1,267 4,268 1,270 1934,271 21.195,272 21.195,273 21.195,274 21.195,275 21.195,276 18.076,277 20.995,278 12.487,279 21.598,280 17.314,281 17.314,282 17.314,283 17.314,284 17.314,285 12.565,286 20.942,287 6.012,288 18.01,289 3.908,290 1.79,291 0.818,292 0.308,293 0.308,294 0.308,295 4.195,299 1,300 1,301 806,302 4.123,305 76.858,306 302.349,309 137.439,313 1.795,314 49.646,317 1,318 0.83,319 1,320 0.6,322 1,323 1,324 0.78,325 71,326 377,327 4.858,328 4.686,329 7.308,330 4.318,331 3.396,332 4.715,333 2.341,334 12.51,335 3.155,336 4.653,337 3.6,338 6.765,339 4.178,340 3.208,341 4.613,342 0.68,343 11.14,344 3.062,345 3.915,346 3.31,347 5.647,348 3.53,349 2.544,350 3.46,352 7.559,353 2.509,354 3.851,355 2.876,356 5.438,357 3.4,358 2.442,359 3.406,361 7.139,362 2.331,363 3.706,364 2.777,365 5.24,366 3.291,367 2.327,368 3.148,370 6.402,371 2.237,372 3.552,373 2.514,374 5.081,375 3.18,376 2.195,377 2.837,379 6.148,380 2.136,381 3.424,382 2.198,383 4.82,384 2.989,385 2.012,386 2.68,388 5.259,389 1.955,390 3.079,391 1.83,392 4.636,393 2.612,394 1.65,395 2.289,397 4.842,398 1.575,399 2.974,400 1.652,401 4.561,402 2.489,403 1.518,404 2.148,406 4.462,407 1.465,408 2.861,409 1.487,410 3.798,411 2.378,412 1.411,413 2.014,415 3.112,416 1.362,417 2.5,418 1.148,419 3.554,420 2.006,421 1.012,422 1.5,424 2.59,425 1.004,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.432,436 1,437 3.247,438 1.956,439 1,440 1.402,442 2.136,443 0.953,444 1.735,445 0.94,446 3.233,447 1.475,448 0.492,449 0.575,451 1.124,452 0.478,453 1.348,454 0.657,455 2.957,456 1.011,457 0.046,458 0.058,460 0.13,461 0.044,462 15.152,463 0.474,464 0.943,465 0.029,466 45.25,467 1.414,468 25,469 0.781,470 20.25,471 0.633,472 24.194,473 0.756,474 34.048,475 0.655,476 37.928,477 1.185,478 9.017,479 0.282,480 6.297,481 0.197,482 0.107,483 0.055,484 0.29,486 1,487 0.592,488 1.115,489 0.762,490 1.13,491 0.643,492 0.874,493 0.552,494 1.042,495 0.839,496 0.987,497 0.479,498 0.962,499 0.997,500 1.081,501 1.114,502 1.077,503 0.924,504 1.086,505 0.954,506 0.885,507 1.193,508 1.033,509 0.912,510 1.033,511 0.788,512 0.876,513 0.862,514 0.99,515 0.861,516 1.002,517 0.654,518 0.819,519 0.766,520 0.889,521 0.638,522 0.954,523 0.685,524 0.957,525 0.953,526 1.08,527 0.681,528 1.036,529 1.14,530 0.88,531 1.134,532 0.963,533 1.131,534 1.029,535 8,536 0.261,537 3.778,538 2.514,539 1.712,540 1.257,541 0.939,542 0.617,543 0.505,544 0.316,545 13700,546 47719,547 2.056,548 38.5,549 2,550 11,551 1,552 2,553 2,554 2,558 1.75,559 1.91,560 3.513,561 0.239,563 1,567 93.187,568 1.792,569 3.911,570 4.883,571 5.393,572 5.393,573 5.393,574 2.941,575 4.375,576 4.966,577 3.697,578 1833.83,579 8.719,580 26845.3,582 1,585 296.423,586 1.574,587 4.918,588 0.229,589 0.008,590 0.076,591 0.051,592 0.037,593 0.027,594 0.019,595 0.013,596 0.013,597 0.009,598 0.482,599 0.33,600 1,601 1.043,602 167.554,603 0.006,604 -0.093,605 0.163,606 -0.044,607 -0.104,608 0.038,609 0.168,610 -0.045,611 -0.002,612 -0.02,613 0.2,614 -0.055,615 -0.154,616 -0.084,617 -0.14,618 -0.063,619 -0.097,620 -0.12,621 -0.101,622 0.041,623 -0.138,624 -0.008,625 -0.066,626 -0.037,627 -0.036,628 -0.065,629 0.048,630 -0.032,631 -0.068,633 0.168,634 0.092,635 0.107,636 0.032,637 0.161,638 0.026,639 0.038,640 -0.088,641 0.014,642 -0.09,643 0.012,644 -0.02,645 -0.186,646 -0.018,647 -0.118,648 0.015,649 -0.168,650 -0.044,651 4.813,652 5.695,653 0.656,654 36.09,655 1.022,656 1.122,657 2.275,658 5.178,659 0.698,660 3.584,661 3.932,662 4.159,663 4.431,664 4.682,665 4.804,666 4.977,667 5.142,668 5.231,669 5.318,670 7.101,671 0.678,672 453.53,673 3.584,674 5.142,675 5.984,676 6.874,677 7.742,678 8.64,679 9.521,680 10.425,681 11.313,682 12.221,683 5.8,688 1,691 1,693 1,698 2,699 12,700 1,704 5,705 1,706 22,723 1,724 52,726 25,727 2,728 35,730 55,731 23,733 19,734 5,735 7,739 4,740 5,751 2,753 20,754 3,756 3,760 1,761 3,765 1,769 1,770 1,772 20,773 7,774 2,775 9,776 1,779 3,784 0.75,785 4,795 1,797 1,801 1,802 3,805 1,818 1,830 1,832 3,834 1,838 1,840 32,844 1,845 1,846 3,847 1,861 1,862 7.7,864 1,865 3,869 16.75,870 9.16,871 6.875,872 2.901,874 3.812,875 1.485,876 0.999,877 6.265,878 11.678,879 3.912,880 4.577,881 5.114,882 5.723,883 6.276,884 6.604,885 7.055,886 7.49,887 7.788,888 8.153,889 0.875,890 49,891 12.15,893 5.596,894 8.164,895 21.989,897 18.362,899 2.664,900 85.25,903 1,904 211.88,905 150.837,906 35.09,908 112.141,909 14.96,910 5.807,911 145.03,912 324.021,913 50.05,915 7.175,916 100.141,917 169.784,918 42.367,919 28.875,920 176.567,922 211.88,923 180.12,924 127.101,925 5.807,927 226.84,928 112.141,931 27.169,932 119.76,933 38.998,935 226.84,936 147.231,937 150.837,939 5.807,940 211.88,941 32.601,942 114.328,943 16.405,944 143.887,945 211.88,946 162.191,947 150.837,949 0.588,950 0.321,951 0.168,952 0.099,953 24,954 11,955 0.145,956 8,957 1,958 1.095,959 4.25,960 294.397,961 0.095,962 21,963 154,967 1,968 22.003,969 9.112,970 5.179,971 1.605,972 160.292,973 18.774,974 4.13,978 1.676,979 1.855,980 59.088,981 524.908,982 49,986 -3.896,987 36.442,991 -0.899,994 53.156,995 58.329,996 0.314,997 0.686,998 0.857,999 0.946,1000 0.946,1001 0.946,1002 5.15,1003 1.65,1004 6.004,1005 5.259,1006 4.615,1007 5.265,1008 2.35,1009 6.847,1010 4.537,1011 6.404,1012 1.518,1013 7.587,1014 4.842,1015 4.369,1016 5.33,1017 2.243,1018 8.003,1019 4.204,1020 7.755,1021 1.411,1022 9.283,1023 4.462,1024 6.279,1025 7.606,1026 3.64,1027 11.051,1028 6.101,1029 9.148,1030 1.012,1031 11.05,1032 3.112,1033 6.836,1034 8.489,1035 4.112,1036 13.068,1037 6.553,1038 10.576,1039 1,1040 12.866,1041 2.59,1042 8.278,1043 10.299,1044 5.203,1045 15.72,1046 7.976,1047 12.032,1048 1,1049 14.718,1050 2.275,1051 9.197,1052 11.549,1053 5.889,1054 18.055,1055 8.791,1056 13.509,1057 0.492,1058 16.598,1059 2.136,1060 10.473,1061 13.19,1062 6.849,1063 20.597,1064 10.03,1065 3.396,1066 0.046,1067 18.498,1068 1.124,1069 11.555,1070 14.605,1071 7.625,1072 23.042,1073 11.018,1074 3.208,1075 12.51,1076 20.415,1077 0.13,1078 12.775,1079 16.181,1080 8.526,1081 25.555,1082 12.186,1083 2.544,1084 11.14,1085 22.345,1086 4.715,1087 13.926,1088 17.668,1089 9.342,1090 28.039,1091 13.254,1092 2.442,1093 7.559,1094 24.284,1095 4.613,1096 15.131,1097 19.22,1098 10.216,1099 30.546,1100 14.397,1101 2.327,1102 7.139,1103 26.232,1104 3.46,1105 16.312,1106 20.738,1107 11.051,1108 33.045,1109 15.501,1110 2.195,1111 6.402,1112 28.185,1113 3.406,1114 17.514,1115 22.283,1116 11.912,1117 35.553,1118 16.637,1119 2.012,1120 6.148,1121 30.144,1122 3.148,1123 18.71,1124 23.814,1125 12.755,1126 38.06,1127 17.759,1128 13207,1129 24823,1130 23.057,1131 36.273,1132 52.879,1133 54.482,1134 53.684,1135 52.655,1136 52.506,1137 72.689,1138 6.042,1139 153.651,1140 50.537,1141 5.69,1142 6.686,1143 7.11,1144 5.378,1145 5.396,1146 7.715,1147 3.925,1148 19.861,1149 5.155,1150 16.988,1151 1.511,1152 1.557,1153 1.534,1154 1.504,1155 1.5,1156 2.077,1157 0.173,1158 4.39,1159 1.444,1160 4.18,1161 4.205,1162 4.737,1163 4.117,1164 8.201,1165 4.097,1166 4.035,1167 4.021,1168 4.109,1169 4.003,1170 7.717,1171 3.942,1172 3.852,1173 3.894,1174 3.789,1175 3.754,1176 7.474,1177 3.757,1178 3.677,1179 3.701,1180 3.723,1181 3.557,1182 6.999,1183 3.521,1184 3.583,1185 3.585,1186 3.525,1187 3.421,1188 6.351,1189 3.41,1190 3.367,1191 3.388,1192 3.318,1193 3.256,1194 4.943,1195 3.245,1196 3.14,1197 3.186,1198 3.035,1199 2.933,1200 4.855,1201 2.949,1202 2.87,1203 2.928,1204 2.731,1205 2.757,1206 4.584,1207 2.744,1208 0.139,1209 0.134,1210 0.209,1211 0.123,1212 0.097,1213 4.858,1214 0.135,1215 4.686,1216 0.067,1217 7.308,1218 0.357,1219 4.318,1220 0.09,1221 3.396,1222 4.715,1223 2.341,1224 12.51,1225 3.155,1226 1.992,1227 1.99,1228 2.045,1229 2.074,1230 1.252,1231 2.094,1232 1.915,1233 1.903,1234 1.975,1235 1.994,1236 1.167,1237 2.008,1238 1.848,1239 1.811,1240 1.957,1241 1.981,1242 1.142,1243 1.981,1244 1.657,1245 1.609,1246 1.832,1247 1.842,1248 0.997,1249 1.841,1250 1.441,1251 1.462,1252 1.591,1253 1.6,1254 0.721,1255 1.621,1256 1.378,1257 1.356,1258 1.31,1259 1.583,1260 0.56,1261 1.578,1262 1.066,1263 1.027,1264 1.181,1265 1.312,1266 0.392,1267 1.305,1268 0.886,1269 0.834,1270 1.149,1271 1.068,1272 0.223,1273 1.107,1274 4.263,1276 5.602,1277 2.398,1278 7.124,1279 4.844,1280 8.728,1281 7.034,1282 10.38,1286 13.156,1289 9.064,1290 0.813,1291 2.531,1300 35.235,1301 93.187,1302 203.364,1303 253.894,1304 280.423,1305 280.423,1306 280.423,1307 79.721,1308 7.866,1309 101.29,1310 109.67,1311 23,1312 12.742,1313 4.7,1314 3.907,1315 51.6,1316 132,1317 150,1318 0.186,1319 218.316,1320 377.12,1321 524.452,1322 27961,1323 1.9,1324 22.717,1325 0.71,1326 0.554,1327 22.097,1328 17.719,1329 15.315,1330 0.438,1331 0.323,1332 9.814,1333 13.94,1334 9.512,1335 7.838,1336 15.742,1337 11.309,1338 14.623,1339 0.292,1340 0.18,1341 15.302,1342 9.003,1343 11.292,1344 0.179,1345 0.102,1346 11.985,1347 6.421,1348 9.325,1349 0.112,1350 0.055,1351 10.208,1352 4.576,1353 7.716,1354 0.072,1355 0.03,1356 8.395,1357 3.241,1358 0.29,1359 104.575,1360 0.208,1361 29.815,1362 0.517,1363 170,1364 605.951,1365 224.97,1366 580.222,1367 765.47,1368 532,1369 198,1370 518.385,1371 259.293,1372 555.846,1373 803.65,1374 520,1375 7.319} {0 CHEMBL48092,1 1.526,2 8.294,3 2.351,4 5.528,5 64.463,6 7.04,7 0.556,8 3.579,9 3.7,10 3.085,11 3.087,12 4.685,13 3.061,14 4.105,15 4.287,16 3.378,17 3.457,18 5.245,19 3.389,20 4.36,21 4.607,22 3.259,23 3.541,24 5.262,25 3.419,26 4.339,27 4.597,28 3.139,29 3.477,30 5.214,31 3.333,32 4.258,33 4.534,34 2.873,35 3.312,36 5.103,37 3.141,38 4.078,39 4.355,40 2.761,41 3.126,42 4.951,43 2.973,44 3.891,45 4.148,46 2.67,47 2.965,48 4.857,49 2.837,50 3.708,51 3.966,52 2.679,53 2.798,54 4.784,55 2.689,56 0.022,57 0.47,58 7.194,59 3.019,60 7.279,61 4.097,62 0.182,63 0.744,64 13.062,65 4.966,66 34.033,67 7.062,68 0.212,69 0.842,70 18.076,71 6.27,72 34.765,73 9.095,74 0.187,75 0.809,76 17.771,77 6.186,78 33.022,79 9.08,80 0.205,81 0.71,82 16.737,83 5.521,84 34.627,85 8.208,86 0.182,87 0.582,88 14.068,89 4.565,90 30.844,91 6.752,92 0.161,93 0.489,94 11.554,95 3.647,96 25.977,97 5.336,98 0.167,99 0.408,100 9.512,101 3.124,102 16.23,103 4.64,104 11,105 23,106 0.287,107 0.627,108 0.776,109 0.868,110 0.891,111 0.891,112 2.905,113 0.982,114 -3.15,115 -3.14,116 -3.02,118 39.4,120 5,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 4,175 1,177 1,180 5,181 1,186 4,191 1,194 4,195 1,198 5,203 1,206 4,207 1,210 3,215 1,218 3,219 1,222 3,227 1,229 3,234 1,235 1,242 2,243 1,246 1,247 2,250 1,252 1,255 1,256 1,259 1,260 1,264 1,268 1,270 334,271 11.535,272 11.535,273 11.535,274 11.535,275 11.535,276 10.171,277 6.78,278 7.19,279 11.704,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.88,286 3.363,287 3.427,288 9.198,289 3.518,290 1.707,291 0.917,292 0.424,293 0.303,294 0.303,295 3.564,299 1,300 1,301 295,302 3.082,305 35.439,306 45.559,309 67.866,313 1.336,314 14.471,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37,326 141,327 4.509,328 3.596,329 6.512,330 3.986,331 3.045,332 4.457,333 2.341,334 10.214,335 2.865,336 3.551,337 3.117,338 5.203,339 3.244,340 2.239,341 2.877,343 6.251,344 2.225,345 3.498,346 2.291,347 4.659,348 3.108,349 2.127,350 2.71,352 5.182,353 2.083,354 3.048,355 1.679,356 4.137,357 2.559,358 1.562,359 2.321,361 3.708,362 1.552,363 2.662,364 1.548,365 3.664,366 2.514,367 1.547,368 1.66,370 3.224,371 1.493,372 2.5,373 1.127,374 3.407,375 1.926,376 1,377 1.5,379 2.236,380 0.924,381 2.157,382 1,383 3.235,384 1.878,385 0.896,386 1.062,388 2.008,389 0.876,390 1.79,391 0.743,392 2.843,393 1.472,394 0.499,395 0.629,397 1.142,398 0.484,399 1.14,400 0.427,401 2.379,402 0.901,403 -0.097,404 -0.111,406 -0.217,407 -0.096,408 0.727,409 0.068,410 2.172,411 0.394,412 -0.599,413 -0.724,415 -1.383,416 -0.587,417 0.5,418 -0.378,419 1.745,420 0.007,421 -1,422 -1.217,424 -2,425 -0.944,426 0.417,427 -0.922,428 1.528,429 -0.048,430 -1,431 -1.467,433 -2.424,434 -0.957,435 -0.003,436 -1,437 1.451,438 -0.168,439 -1.134,440 -1.5,442 -2.64,443 -1.143,444 -0.115,445 -1.361,446 1,447 -0.617,448 -1.578,449 -1.878,451 -4.073,452 -1.482,453 -0.367,454 -1.611,455 0.832,456 -0.704,457 -1.667,458 -2.058,460 -4.435,461 -1.636,462 7.967,463 0.469,464 0.315,465 0.019,466 20.25,467 1.191,468 9.5,469 0.559,470 10.75,471 0.632,472 12.13,473 0.714,474 19.033,475 0.577,476 11.526,477 0.678,478 3.846,479 0.226,480 4.425,481 0.26,482 0.084,484 0.238,487 0.798,488 1.431,489 0.848,490 1.174,491 0.682,492 1.044,493 0.492,494 1.239,495 0.922,496 1.171,497 0.362,498 1.12,499 0.898,500 0.946,501 0.998,502 0.942,503 0.84,504 0.979,505 0.789,506 1.025,507 1.005,508 1.034,509 0.747,510 1.053,511 0.879,512 0.943,513 1.084,514 1.016,515 0.846,516 1.071,517 0.954,518 0.879,519 0.999,520 0.918,521 0.956,522 0.958,523 1.159,524 0.929,525 1.089,526 0.947,527 1.144,528 0.995,529 0.557,530 0.935,531 0.799,532 0.997,533 0.73,534 0.948,535 2.5,536 0.065,537 1.556,538 0.688,539 0.453,540 0.226,541 0.116,542 0.115,543 0.113,544 0.1,545 2525,546 7624,547 2.028,548 48.5,549 6,550 3,552 2,553 1,554 4,558 1.561,559 1.925,560 3.026,561 -0.256,563 1,564 1,565 1,567 50.359,568 1.526,569 3.337,570 4.127,571 4.62,572 4.741,573 4.741,574 2.419,575 3.852,576 4.057,577 3.216,578 437.318,579 6.821,580 4153.82,582 1,584 1,585 166.465,586 1.261,587 4.03,588 0.139,589 0.011,590 0.068,591 0.034,592 0.027,593 0.019,594 0.011,595 0.012,596 0.011,597 0.011,598 0.342,599 0.67,600 1,601 2.046,602 72.269,603 -0.061,604 -0.207,605 0.025,606 -0.045,607 -0.032,608 -0.008,609 0.212,610 -0.1,611 -0.022,612 -0.123,613 0.234,614 -0.115,615 -0.106,616 0.035,617 -0.055,618 0.048,619 -0.075,620 0.012,621 -0.063,622 -0.07,623 -0.068,624 -0.049,625 -0.057,626 -0.059,627 -0.096,628 -0.021,629 -0.128,630 -0.066,631 -0.097,632 -0.095,633 -0.09,634 0.023,635 -0.028,636 0.028,637 -0.102,638 0.015,639 -0.156,640 0.006,641 -0.107,642 -0.006,643 -0.143,644 -0.04,645 0.329,646 0.008,647 0.174,648 -0.046,649 0.122,650 0.023,651 2.373,652 3.36,653 0.529,654 11.938,655 1.001,656 1.131,657 1.921,658 3.69,659 0.644,660 2.944,661 3.178,662 3.367,663 3.584,664 3.638,665 3.611,666 3.611,667 3.638,668 3.367,669 3.296,670 5.228,671 0.611,672 232.31,673 2.944,674 4.419,675 5.22,676 6.057,677 6.884,678 7.732,679 8.574,680 9.429,681 10.279,682 11.139,683 6.1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 33,726 11,728 18,730 34,731 13,733 7,739 2,740 3,751 5,753 8,754 5,756 1,761 1,765 1,769 1,772 16,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 17,845 1,846 5,862 6.1,864 1,865 1,869 8.833,870 5.683,871 3.889,872 2.114,874 2.133,875 1.357,876 0.927,877 4.02,878 8.099,879 3.219,880 3.767,881 4.319,882 4.917,883 5.305,884 5.55,885 5.834,886 6.122,887 5.542,888 5.568,889 1,890 20,891 6.26,893 2.554,894 7.882,895 12.012,897 9.596,899 2.382,900 40.5,901 0.002,904 176.567,905 64.578,906 18.072,908 67.828,911 64.578,912 244.395,913 18.072,915 12.673,916 28.429,917 117.684,918 10.334,919 4.901,920 153.024,922 176.567,923 82.65,924 67.828,927 176.567,928 67.828,931 31.625,932 34.24,933 16.786,935 176.567,936 85.9,937 64.578,940 176.567,941 18.483,942 47.381,944 84.614,945 176.567,946 85.9,947 64.578,949 0.556,950 0.301,951 0.162,952 0.077,953 10,954 4,955 0.176,956 6,957 1,958 1.222,959 3.073,960 106.935,961 0.222,962 9,963 69.487,968 11.964,969 5.712,970 3.223,971 1.105,972 84.614,973 9.812,974 4.115,978 1.232,980 42.683,981 327.045,982 24,987 10.36,991 -0.707,994 33.043,995 37.322,996 0.303,997 0.662,998 0.818,999 0.916,1000 0.94,1001 0.94,1002 4.388,1003 0.499,1004 5.153,1005 2.008,1006 3.85,1007 4.449,1008 2.258,1009 5.878,1010 3.785,1011 5.56,1012 -0.097,1013 6.65,1014 1.142,1015 3.219,1016 4.205,1017 2.243,1018 6.676,1019 3.088,1020 6.839,1021 -0.599,1022 8.259,1023 -0.217,1024 5.333,1025 6.664,1026 3.628,1027 9.777,1028 5.18,1029 8.165,1030 -1,1031 9.94,1032 -1.383,1033 5.602,1034 7.38,1035 4.112,1036 11.53,1037 5.348,1038 9.531,1039 -1,1040 11.673,1041 -2,1042 7.133,1043 9.267,1044 5.201,1045 14.123,1046 6.862,1047 10.928,1048 -1.134,1049 13.442,1050 -2.424,1051 7.849,1052 10.422,1053 5.889,1054 16.232,1055 7.467,1056 12.349,1057 -1.578,1058 15.238,1059 -2.64,1060 9.132,1061 12.082,1062 6.849,1063 18.659,1064 8.723,1065 3.045,1066 -1.667,1067 17.053,1068 -4.073,1069 10.065,1070 13.432,1071 7.625,1072 20.899,1073 9.553,1074 2.239,1075 10.214,1076 18.883,1077 -4.435,1078 11.244,1079 14.997,1080 8.526,1081 23.264,1082 10.691,1083 2.127,1084 6.251,1085 20.723,1086 4.457,1087 12.277,1088 16.43,1089 9.342,1090 25.554,1091 11.635,1092 1.562,1093 5.182,1094 22.571,1095 2.877,1096 13.415,1097 17.955,1098 10.216,1099 27.896,1100 12.722,1101 1.547,1102 3.708,1103 24.426,1104 2.71,1105 14.492,1106 19.423,1107 11.051,1108 30.205,1109 13.721,1110 1,1111 3.224,1112 26.284,1113 2.321,1114 15.615,1115 20.931,1116 11.912,1117 32.537,1118 14.786,1119 0.896,1120 2.236,1121 28.146,1122 1.66,1123 16.712,1124 22.414,1125 12.755,1126 34.854,1127 15.813,1128 2584,1129 4546,1130 12.019,1131 21.25,1132 26.095,1133 26.435,1134 26.431,1135 25.819,1136 25.831,1137 34.43,1138 4.682,1139 67.93,1140 25.003,1141 5.418,1142 5.596,1143 6.285,1144 5.033,1145 5.045,1146 7.457,1147 3.925,1148 16.989,1149 4.836,1150 7.332,1151 1.45,1152 1.469,1153 1.468,1154 1.434,1155 1.435,1156 1.913,1157 0.26,1158 3.774,1159 1.389,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.474,1165 3.996,1166 3.74,1167 3.793,1168 3.607,1169 3.599,1170 6.351,1171 3.589,1172 3.475,1173 3.518,1174 3.364,1175 3.3,1176 5.051,1177 3.305,1178 3.309,1179 3.365,1180 3.201,1181 3.147,1182 4.376,1183 3.153,1184 3.081,1185 3.129,1186 2.939,1187 2.876,1188 4.087,1189 2.886,1190 2.779,1191 2.848,1192 2.596,1193 2.55,1194 3.791,1195 2.555,1196 2.48,1197 2.587,1198 2.209,1199 2.193,1200 3.452,1201 2.185,1202 2.287,1203 2.399,1204 2.123,1205 2.017,1206 3.278,1207 2.018,1208 0.251,1209 0.2,1210 0.362,1211 0.221,1212 0.169,1213 4.509,1214 0.248,1215 3.596,1216 0.13,1217 6.512,1218 0.567,1219 3.986,1220 0.159,1221 3.045,1222 4.457,1223 2.341,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.072,1229 2.089,1230 1.37,1231 2.083,1232 1.717,1233 1.664,1234 1.936,1235 1.888,1236 1.156,1237 1.907,1238 1.43,1239 1.382,1240 1.663,1241 1.636,1242 0.898,1243 1.64,1244 1.283,1245 1.22,1246 1.461,1247 1.544,1248 0.527,1249 1.523,1250 1.016,1251 0.956,1252 1.261,1253 1.267,1254 0.339,1255 1.262,1256 0.954,1257 0.897,1258 1.221,1259 1.195,1260 0.3,1261 1.211,1262 0.609,1263 0.537,1264 0.965,1265 0.939,1266 0.075,1267 0.959,1268 0.372,1269 0.265,1270 0.81,1271 0.716,1273 0.762,1274 3.611,1276 4.86,1277 2.398,1278 6.293,1279 4.595,1280 7.829,1281 6.605,1282 9.428,1289 8.531,1290 3.972,1300 20.16,1301 50.359,1302 110.126,1303 136.2,1304 152.465,1305 156.465,1306 156.465,1307 25.342,1308 5.966,1309 54.6,1310 54.6,1311 11,1312 11.692,1313 3.585,1314 2.807,1315 28.76,1316 52,1317 51,1318 0.27,1319 127.628,1320 213.32,1321 303.173,1322 2591,1324 12.088,1325 0.711,1326 0.569,1327 12.088,1328 9.672,1329 8.271,1330 0.459,1331 0.327,1332 5.819,1333 7.958,1334 5.72,1335 4.762,1336 8.271,1337 5.889,1338 7.078,1339 0.308,1340 0.181,1341 7.078,1342 4.16,1343 5.33,1344 0.19,1345 0.102,1346 5.33,1347 2.856,1348 4.395,1349 0.126,1350 0.056,1351 4.395,1352 1.97,1353 3.107,1354 0.084,1355 0.033,1356 3.107,1357 1.226,1358 0.429,1359 51.817,1360 0.288,1361 17.62,1362 0.714,1363 82,1364 251.175,1365 90.619,1366 241.554,1367 320.14,1368 224,1369 92,1370 227.653,1371 99.515,1372 228.964,1373 327.47,1374 215,1375 8.509} {0 CHEMBL48093,1 1.614,2 7.5,3 1.849,4 3.417,5 62.199,6 8.24,7 0.588,8 3.374,9 3.472,10 3.014,11 2.925,12 4.663,13 2.933,14 3.782,15 3.912,16 3.306,17 3.236,18 5.197,19 3.224,20 3.946,21 4.134,22 3.165,23 3.29,24 5.094,25 3.226,26 3.913,27 4.123,28 3.028,29 3.198,30 5.037,31 3.111,32 3.782,33 4.017,34 2.72,35 2.969,36 4.868,37 2.857,38 3.557,39 3.789,40 2.601,41 2.754,42 4.648,43 2.67,44 3.39,45 3.595,46 2.639,47 2.595,48 4.668,49 2.548,50 3.294,51 3.462,52 2.58,53 2.344,54 4.801,55 2.393,56 0.055,57 0.367,58 4.235,59 2.139,60 7.06,61 2.425,62 0.191,63 0.559,64 6.98,65 3.145,66 25.317,67 3.769,68 0.18,69 0.612,70 10.016,71 4.074,72 21.302,73 5.069,74 0.159,75 0.583,76 10.145,77 4.078,78 19.043,79 5.313,80 0.167,81 0.492,82 9.632,83 3.58,84 21.058,85 4.748,86 0.138,87 0.384,88 7.822,89 2.868,90 20.606,91 3.774,92 0.158,93 0.323,94 6.212,95 2.328,96 8.543,97 3.109,98 0.127,99 0.266,100 5.693,101 1.894,102 17.917,103 2.028,104 10,105 22,106 0.315,107 0.607,108 0.806,109 0.901,110 0.916,111 0.916,112 2.851,113 0.84,114 -2.72,115 -2.73,116 -2.65,118 46.2,133 4,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 4,175 1,177 1,180 4,181 1,186 4,191 1,194 3,195 1,198 5,203 1,206 3,207 1,210 3,215 1,218 3,222 1,223 1,229 2,230 1,233 1,234 2,237 1,239 1,242 1,243 1,247 1,248 1,252 1,256 1,258 1,259 1,262 1,264 1,270 282,271 10.828,272 10.828,273 10.828,274 10.828,275 10.828,276 9.151,277 2.278,278 6.69,279 10.997,280 8.415,281 8.415,282 8.415,283 8.415,284 8.415,285 5.896,286 1.651,287 3.177,288 8.698,289 3.086,290 1.588,291 0.567,292 0.077,295 3.505,299 1,300 1,301 251,302 2.915,305 32.002,306 41.194,309 61.405,313 1.188,314 13.389,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 35,326 120,327 4.517,328 3.472,329 6.512,330 3.986,331 3.045,332 4.468,333 1.437,334 10.214,335 2.865,336 3.696,337 3.045,338 5.203,339 3.247,340 2.244,341 3.032,343 6.252,344 2.228,345 3.547,346 2.134,347 4.658,348 3.093,349 2.111,350 2.873,352 5.177,353 2.067,354 3.048,355 1.549,356 4.135,357 2.516,358 1.548,359 2.322,361 3.699,362 1.496,363 2.956,364 1.527,365 3.56,366 2.39,367 1.395,368 1.985,370 2.932,371 1.381,372 2.5,373 1,374 3.397,375 1.923,376 1,377 1.5,379 2.233,380 0.921,381 2.327,382 0.828,383 3.139,384 1.681,385 0.71,386 1.036,388 1.687,389 0.686,390 1.932,391 0.534,392 2.64,393 1.25,394 0.262,395 0.431,397 0.582,398 0.257,399 0.978,400 0.263,401 2.302,402 0.586,403 -0.409,404 -0.518,406 -0.962,407 -0.403,408 0.558,409 -0.355,410 1.918,411 0.09,412 -0.931,413 -1.203,415 -2,416 -0.88,417 0.5,418 -0.854,419 1.652,420 -0.039,421 -1,422 -1.464,424 -2.165,425 -0.947,426 0.276,427 -1,428 1.497,429 -0.054,430 -1,431 -1.5,433 -2.432,434 -1.008,435 -0.092,436 -1.47,437 1.066,438 -0.55,439 -1.527,440 -2.067,442 -3.968,443 -1.469,444 -0.262,445 -1.614,446 1,447 -0.682,448 -1.626,449 -2.411,451 -4.452,452 -1.562,453 -0.401,454 -1.833,455 0.564,456 -0.883,457 -1.848,458 -2.628,460 -4.773,461 -1.757,462 7.467,463 0.467,464 0.315,465 0.02,466 22.75,467 1.422,468 12.5,469 0.781,470 10.25,471 0.641,472 7.786,473 0.487,474 16.533,475 0.636,476 14.131,477 0.883,478 4.939,479 0.309,480 2.832,481 0.177,482 0.089,484 0.254,487 0.823,488 1.284,489 0.718,490 0.988,491 0.744,492 0.861,493 0.56,494 1.149,495 0.864,496 1.041,497 0.391,498 1.01,499 0.867,500 0.982,501 1.05,502 0.976,503 0.77,504 1.032,505 0.72,506 1.065,507 1.027,508 1.076,509 0.629,510 1.108,511 0.807,512 0.952,513 1.104,514 1.047,515 0.736,516 1.116,517 0.875,518 0.895,519 0.952,520 0.925,521 0.886,522 0.949,523 0.579,524 0.919,525 0.783,526 1.016,527 0.824,528 0.965,529 1.925,530 1.067,531 1.026,532 1.108,533 2.023,534 0.917,535 2.5,537 1.556,538 0.688,539 0.453,540 0.17,541 0.157,542 0.147,543 0.121,544 0.081,545 2042,546 7283,547 2.03,548 38.5,550 7,552 2,553 1,558 1.545,559 1.92,560 2.907,561 -0.229,565 1,567 41.973,568 1.614,569 3.113,570 4.133,571 4.624,572 4.7,573 4.7,574 2.227,575 3.875,576 3.97,577 3.067,578 367.99,579 6.656,580 3281.27,582 1,584 1,585 122.211,586 1.299,587 3.94,588 0.147,590 0.071,591 0.036,592 0.028,593 0.015,594 0.016,595 0.015,596 0.013,597 0.013,598 0.355,599 0.83,600 1,601 1.875,602 65.607,603 -0.102,604 -0.21,605 0.009,606 -0.036,607 -0.127,608 -0.004,609 0.188,610 -0.052,611 -0.083,612 -0.119,613 0.24,614 -0.151,615 -0.139,616 0.006,617 -0.154,618 -0.006,619 -0.078,620 -0.066,621 -0.059,622 -0.109,623 -0.094,624 -0.096,625 -0.018,626 -0.101,627 -0.077,628 -0.024,629 -0.103,630 -0.067,631 -0.042,632 -0.081,633 -0.06,634 0.013,635 0.072,636 0.066,637 -0.075,638 0.094,639 0.36,640 0.019,641 0.225,642 -0.048,643 0.105,644 0.031,645 -0.25,646 -0.174,647 0.06,648 -0.178,649 -0.166,650 -0.015,651 2.62,652 3.246,653 0.563,654 10.203,655 1.015,656 1.118,657 1.487,658 2.211,659 0.691,660 2.89,661 3.135,662 3.332,663 3.555,664 3.611,665 3.584,666 3.611,667 3.611,668 3.296,669 3.135,670 4.76,671 0.676,672 214.24,673 2.89,674 4.369,675 5.176,676 6.019,677 6.851,678 7.704,679 8.55,680 9.408,681 10.262,682 11.125,683 7.7,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 26,726 13,728 17,730 27,731 12,733 7,736 5,739 2,740 3,753 12,756 3,761 1,763 4,765 1,769 1,772 10,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,822 4,830 1,832 1,840 16,845 1,862 7.7,864 1,865 1,869 8.333,870 4.517,871 3.639,872 1.364,874 3.016,875 1.514,876 0.943,877 3.057,878 8.885,879 3.258,880 3.834,881 4.444,882 5.039,883 5.487,884 5.794,885 6.196,886 6.543,887 6.467,888 6.671,889 0.8,890 19,891 5.82,893 2.367,894 8.063,895 10.758,897 8.26,899 2.563,900 41,901 0.001,904 105.94,905 89.811,906 18.072,908 67.828,911 89.811,912 173.768,913 18.072,916 66.334,917 117.684,918 10.334,919 4.901,920 82.398,922 105.94,923 107.883,924 67.828,927 105.94,928 67.828,931 18.952,932 34.24,933 54.691,935 105.94,936 85.9,937 89.811,940 105.94,941 5.811,942 85.286,944 84.614,945 105.94,946 85.9,947 89.811,949 0.559,950 0.305,951 0.164,952 0.078,953 10,954 4,955 0.111,956 3,957 1,958 1.222,959 2.937,960 99.775,961 0.222,962 9,963 64,968 10.49,969 4.663,970 2.523,971 1.004,972 84.614,973 9.301,974 4.035,978 0.949,980 42.683,981 281.651,982 25,987 10.246,989 6.083,991 -0.953,994 26.393,995 29.076,996 0.343,997 0.662,998 0.879,999 0.984,1000 1,1001 1,1002 4.425,1003 0.262,1004 5.118,1005 1.687,1006 3.807,1007 4.516,1008 1.635,1009 5.855,1010 3.738,1011 5.63,1012 -0.409,1013 6.624,1014 0.582,1015 3.219,1016 4.205,1018 6.676,1019 3.088,1020 6.916,1021 -0.931,1022 8.24,1023 -0.962,1024 5.303,1025 6.759,1026 2.253,1027 9.771,1028 5.146,1029 8.247,1030 -1,1031 9.928,1032 -2,1033 5.602,1034 7.406,1036 11.53,1037 5.348,1038 9.613,1039 -1,1040 11.665,1041 -2.165,1042 7.117,1043 9.343,1044 2.922,1045 14.122,1046 6.841,1047 11.008,1048 -1.527,1049 13.437,1050 -2.432,1051 7.849,1052 10.455,1054 16.232,1055 7.467,1056 12.426,1057 -1.626,1058 15.235,1059 -3.968,1060 9.124,1061 12.136,1062 3.619,1063 18.658,1064 8.711,1065 3.045,1066 -1.848,1067 17.051,1068 -4.452,1069 10.065,1070 13.466,1072 20.899,1073 9.553,1074 2.244,1075 10.214,1076 18.882,1077 -4.773,1078 11.241,1079 15.038,1080 4.33,1081 23.264,1082 10.685,1083 2.111,1084 6.252,1085 20.723,1086 4.468,1087 12.277,1088 16.464,1090 25.554,1091 11.635,1092 1.548,1093 5.177,1094 22.571,1095 3.032,1096 13.414,1097 17.992,1098 5.047,1099 27.896,1100 12.719,1101 1.395,1102 3.699,1103 24.425,1104 2.873,1105 14.492,1106 19.459,1108 30.205,1109 13.721,1110 1,1111 2.932,1112 26.284,1113 2.322,1114 15.614,1115 20.969,1116 5.769,1117 32.537,1118 14.785,1119 0.71,1120 2.233,1121 28.146,1122 1.985,1123 16.712,1124 22.453,1126 34.854,1127 15.813,1128 2105,1129 4037,1130 11.326,1131 17.966,1132 25.52,1133 25.252,1134 25.075,1135 24.64,1136 24.63,1137 35.293,1138 2.873,1139 65.553,1140 23.802,1141 5.098,1142 5.472,1143 6.204,1144 5.033,1145 5.045,1146 7.468,1147 2.873,1148 16.99,1149 4.833,1150 6.927,1151 1.501,1152 1.485,1153 1.475,1154 1.449,1155 1.449,1156 2.076,1157 0.169,1158 3.856,1159 1.4,1160 4.118,1161 4.165,1162 4.083,1163 3.978,1164 7.476,1165 3.998,1166 3.689,1167 3.713,1168 3.619,1169 3.575,1170 6.351,1171 3.578,1172 3.375,1173 3.415,1174 3.302,1175 3.217,1176 5.061,1177 3.23,1178 3.24,1179 3.273,1180 3.141,1181 3.067,1182 4.511,1183 3.08,1184 2.871,1185 2.911,1186 2.767,1187 2.665,1188 4.304,1189 2.686,1190 2.555,1191 2.626,1192 2.368,1193 2.297,1194 3.841,1195 2.317,1196 2.287,1197 2.399,1198 2.157,1199 2.017,1200 3.423,1201 2.02,1202 2.156,1203 2.262,1204 1.903,1205 1.915,1206 3.271,1207 1.917,1208 0.266,1209 0.204,1210 0.383,1211 0.234,1212 0.179,1213 4.517,1214 0.263,1215 3.472,1216 0.085,1217 6.512,1218 0.601,1219 3.986,1220 0.169,1221 3.045,1222 4.468,1223 1.437,1224 10.214,1225 2.865,1226 1.947,1227 1.912,1228 2.035,1229 2.077,1230 1.151,1231 2.066,1232 1.638,1233 1.61,1234 1.785,1235 1.781,1236 0.802,1237 1.777,1238 1.349,1239 1.299,1240 1.491,1241 1.572,1242 0.469,1243 1.551,1244 1.128,1245 1.09,1246 1.313,1247 1.393,1248 0.3,1249 1.361,1250 1.01,1251 0.95,1252 1.221,1253 1.197,1254 0.253,1255 1.213,1256 0.648,1257 0.611,1258 0.911,1259 0.967,1261 0.96,1262 0.395,1263 0.316,1264 0.78,1265 0.693,1267 0.735,1270 0.479,1271 0.402,1273 0.395,1274 3.555,1276 4.812,1277 2.398,1278 6.256,1279 4.595,1280 7.801,1281 6.605,1282 9.407,1289 8.413,1300 17.58,1301 41.973,1302 80.927,1303 107.457,1304 120.211,1305 122.211,1306 122.211,1307 18.73,1308 5.869,1309 54.6,1310 54.6,1311 11,1312 11.676,1313 3.807,1314 3.17,1315 26.185,1316 44,1317 44,1318 0.292,1319 112.181,1320 190.74,1321 265.482,1322 2216,1324 11.38,1325 0.711,1326 0.528,1327 11.38,1328 8.446,1329 7.771,1330 0.457,1331 0.28,1332 4.69,1333 7.458,1334 4.606,1335 3.854,1336 7.771,1337 4.76,1338 6.724,1339 0.306,1340 0.145,1341 6.724,1342 3.196,1343 5.08,1344 0.188,1345 0.078,1346 5.08,1347 2.096,1348 4.218,1349 0.124,1350 0.041,1351 4.218,1352 1.398,1353 2.986,1354 0.083,1355 0.023,1356 2.986,1357 0.814,1358 0.455,1359 48.817,1360 0.297,1361 16.476,1362 0.795,1363 78,1364 267.175,1365 86.619,1366 259.347,1367 344.72,1368 240,1369 88,1370 246.653,1371 95.515,1372 250.014,1373 357.3,1374 234,1375 7.553} {0 CHEMBL48142,1 1.563,2 7.5,3 2.025,4 4.1,5 60.037,6 7.276,7 0.588,8 3.495,9 3.612,10 3.03,11 3.004,12 4.637,13 2.987,14 4.007,15 4.183,16 3.326,17 3.377,18 5.194,19 3.321,20 4.241,21 4.471,22 3.204,23 3.46,24 5.191,25 3.347,26 4.224,27 4.472,28 3.078,29 3.376,30 5.145,31 3.246,32 4.132,33 4.4,34 2.793,35 3.193,36 5.026,37 3.034,38 3.926,39 4.193,40 2.671,41 2.98,42 4.872,43 2.845,44 3.709,45 3.971,46 2.661,47 2.778,48 4.758,49 2.687,50 3.519,51 3.738,52 2.633,53 2.468,54 4.91,55 2.457,56 0.033,57 0.432,58 6.284,59 2.685,60 7.862,61 3.561,62 0.198,63 0.679,64 11.463,65 4.412,66 34.092,67 6.141,68 0.195,69 0.756,70 15.731,71 5.788,72 35.057,73 8.132,74 0.198,75 0.73,76 15.743,77 5.453,78 33.278,79 7.894,80 0.215,81 0.632,82 14.803,83 4.798,84 34.927,85 7.051,86 0.189,87 0.504,88 12.145,89 3.835,90 29.782,91 5.597,92 0.101,93 0.413,94 9.524,95 2.995,96 15.383,97 4.449,98 0.204,99 0.307,100 8.069,101 2.176,102 22.181,103 3.051,104 10,105 22,106 0.3,107 0.676,108 0.814,109 0.865,110 0.891,111 0.891,112 2.851,113 0.95,114 -2.88,115 -2.89,116 -2.79,118 40,120 4,140 2,141 1,143 1,149 1,150 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 3,175 1,177 1,180 5,181 1,186 4,191 1,194 4,195 1,198 5,203 1,206 3,207 1,210 3,215 1,218 2,219 1,222 3,227 1,229 1,230 1,234 2,235 1,239 1,243 1,246 1,247 1,248 1,250 1,252 1,258 1,262 1,270 282,271 10.828,272 10.828,273 10.828,274 10.828,275 10.828,276 9.464,277 6.78,278 6.69,279 11,280 8.415,281 8.415,282 8.415,283 8.415,284 8.415,285 6.38,286 3.363,287 3.177,288 8.691,289 3.344,290 1.387,291 0.667,292 0.4,293 0.267,294 0.267,295 3.505,299 1,300 1,301 251,302 2.915,305 32.002,306 41.194,309 61.405,313 1.188,314 14.115,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35,326 120,327 4.509,328 3.596,329 6.512,330 4.002,331 3.045,332 4.457,333 2.341,334 10.214,335 2.919,336 3.555,337 3.117,338 5.203,339 3.245,340 2.244,341 2.878,343 6.252,344 2.224,345 3.492,346 2.289,347 4.658,348 3.074,349 2.111,350 2.708,352 5.177,353 2.021,354 3.048,355 1.563,356 4.135,357 2.52,358 1.548,359 2.321,361 3.699,362 1.504,363 2.533,364 1.547,365 3.56,366 2.389,367 1.395,368 1.522,370 2.932,371 1.38,372 2.5,373 1,374 3.397,375 1.922,376 1,377 1.5,379 2.233,380 0.92,381 2.072,382 0.974,383 3.139,384 1.684,385 0.71,386 0.921,388 1.687,389 0.689,390 1.505,391 0.614,392 2.64,393 1.249,394 0.262,395 0.313,397 0.582,398 0.257,399 0.922,400 0.278,401 2.302,402 0.575,403 -0.409,404 -0.496,406 -0.962,407 -0.398,408 0.503,409 -0.152,410 1.918,411 0.091,412 -0.931,413 -1.074,415 -2,416 -0.882,417 0.5,418 -0.718,419 1.652,420 -0.042,421 -1,422 -1.399,424 -2.165,425 -0.948,426 0.202,427 -1,428 1.497,429 -0.052,430 -1,431 -1.5,433 -2.432,434 -1.008,435 -0.102,436 -1.241,437 1.066,438 -0.553,439 -1.527,440 -1.829,442 -3.968,443 -1.459,444 -0.341,445 -1.605,446 1,447 -0.678,448 -1.626,449 -2.062,451 -4.452,452 -1.571,453 -0.5,454 -1.738,455 0.564,456 -0.884,457 -1.848,458 -2.421,460 -4.773,461 -1.76,462 7.467,463 0.467,464 0.315,465 0.02,466 19.75,467 1.234,468 9.5,469 0.594,470 10.25,471 0.641,472 10.619,473 0.664,474 17.733,475 0.591,476 11.298,477 0.706,478 3.837,479 0.24,480 3.933,481 0.246,482 0.089,484 0.254,487 0.802,488 1.425,489 0.815,490 1.148,491 0.685,492 1.011,493 0.513,494 1.125,495 0.904,496 1.091,497 0.37,498 1.062,499 0.844,500 1.01,501 0.993,502 1.019,503 0.868,504 1.039,505 0.82,506 1.034,507 1.031,508 1.043,509 0.778,510 1.071,511 0.925,512 0.944,513 1.123,514 1.025,515 0.892,516 1.092,517 1.033,518 0.875,519 1.036,520 0.91,521 1.016,522 0.962,523 0.834,524 1.006,525 0.834,526 1.001,527 0.724,528 0.916,529 1.404,530 0.956,531 0.913,532 0.977,533 1.687,534 0.879,535 2.5,537 1.556,538 0.688,539 0.453,540 0.17,541 0.157,542 0.147,543 0.121,544 0.081,545 2042,546 6489,547 2.03,548 46.7,549 6,550 2,551 1,552 2,553 1,554 2,558 1.545,559 1.92,560 2.907,561 -0.229,563 1,564 1,565 1,567 46.884,568 1.563,569 3.52,570 4.24,571 4.507,572 4.64,573 4.64,574 2.227,575 3.875,576 3.97,577 3.067,578 367.99,579 6.656,580 3281.27,582 1,584 1,585 147.207,586 1.299,587 3.94,588 0.147,590 0.071,591 0.036,592 0.028,593 0.015,594 0.016,595 0.015,596 0.013,597 0.013,598 0.355,599 0.67,600 1,601 1.875,602 65.607,603 -0.072,604 -0.221,605 0.024,606 -0.047,607 -0.043,608 -0.008,609 0.192,610 0.011,611 -0.026,612 -0.059,613 0.228,614 -0.077,615 -0.086,616 -0.045,617 -0.068,618 -0.003,619 -0.09,620 -0.032,621 -0.081,622 -0.079,623 -0.093,624 -0.061,625 -0.075,626 -0.078,627 -0.118,628 -0.023,629 -0.16,630 -0.077,631 -0.12,632 -0.116,633 -0.122,634 0.027,635 -0.051,636 0.032,637 -0.114,638 0.01,639 0.013,640 -0.074,641 0.145,642 -0.066,643 0.068,644 0.055,645 0.208,646 -0.051,647 0.167,648 -0.103,649 0.03,650 0.003,651 2.387,652 3.368,653 0.563,654 10.203,655 1.005,656 1.13,657 1.649,658 2.72,659 0.65,660 2.89,661 3.135,662 3.332,663 3.555,664 3.611,665 3.584,666 3.611,667 3.611,668 3.296,669 3.135,670 4.76,671 0.621,672 218.28,673 2.89,674 4.369,675 5.176,676 6.019,677 6.851,678 7.704,679 8.55,680 9.408,681 10.262,682 11.125,683 6.7,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 30,726 11,728 17,730 31,731 12,733 7,739 2,740 3,751 4,753 8,754 4,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 16,845 1,846 4,862 6.7,864 1,865 1,869 8.333,870 5.183,871 3.639,872 1.86,874 2.149,875 1.366,876 0.93,877 3.446,878 8.019,879 3.178,880 3.744,881 4.306,882 4.909,883 5.3,884 5.546,885 5.843,886 6.132,887 5.568,888 5.568,889 0.8,890 19,891 5.882,893 2.413,894 7.938,895 11.196,897 8.934,899 2.438,900 39,901 0.002,904 153.024,905 62.044,906 18.072,908 67.828,911 62.044,912 220.853,913 18.072,915 10.138,916 28,917 117.684,918 13.519,919 13.915,920 117.711,922 153.024,923 80.116,924 67.828,927 153.024,928 67.828,931 29.091,932 34.24,933 16.786,935 153.024,936 85.9,937 62.044,940 153.024,941 16.378,942 46.952,944 84.614,945 153.024,946 85.9,947 62.044,949 0.559,950 0.305,951 0.164,952 0.078,953 10,954 4,955 0.161,956 5,957 1,958 1.222,959 2.937,960 99.775,961 0.222,962 9,963 64,968 10.993,969 5.015,970 2.76,971 1.109,972 84.614,973 9.63,974 4.087,978 1.227,980 42.683,981 300.968,982 23,987 10.368,991 -0.72,994 30.16,995 33.907,996 0.318,997 0.717,998 0.864,999 0.918,1000 0.946,1001 0.946,1002 4.35,1003 0.262,1004 5.118,1005 1.687,1006 3.807,1007 4.425,1008 2.258,1009 5.855,1010 3.743,1011 5.532,1012 -0.409,1013 6.624,1014 0.582,1015 3.219,1016 4.205,1017 2.243,1018 6.676,1019 3.115,1020 6.819,1021 -0.931,1022 8.24,1023 -0.962,1024 5.303,1025 6.657,1026 3.628,1027 9.771,1028 5.169,1029 8.15,1030 -1,1031 9.928,1032 -2,1033 5.602,1034 7.38,1035 4.112,1036 11.53,1037 5.411,1038 9.521,1039 -1,1040 11.665,1041 -2.165,1042 7.117,1043 9.266,1044 5.201,1045 14.122,1046 6.901,1047 10.921,1048 -1.527,1049 13.437,1050 -2.432,1051 7.849,1052 10.422,1053 5.889,1054 16.232,1055 7.571,1056 12.344,1057 -1.626,1058 15.235,1059 -3.968,1060 9.124,1061 12.081,1062 6.849,1063 18.658,1064 8.818,1065 3.045,1066 -1.848,1067 17.051,1068 -4.452,1069 10.065,1070 13.432,1071 7.625,1072 20.899,1073 9.7,1074 2.244,1075 10.214,1076 18.882,1077 -4.773,1078 11.241,1079 14.997,1080 8.526,1081 23.264,1082 10.842,1083 2.111,1084 6.252,1085 20.723,1086 4.457,1087 12.277,1088 16.43,1089 9.342,1090 25.554,1091 11.825,1092 1.548,1093 5.177,1094 22.571,1095 2.878,1096 13.414,1097 17.955,1098 10.216,1099 27.896,1100 12.924,1101 1.395,1102 3.699,1103 24.425,1104 2.708,1105 14.492,1106 19.423,1107 11.051,1108 30.205,1109 13.954,1110 1,1111 2.932,1112 26.284,1113 2.321,1114 15.614,1115 20.931,1116 11.912,1117 32.537,1118 15.035,1119 0.71,1120 2.233,1121 28.146,1122 1.522,1123 16.712,1124 22.414,1125 12.755,1126 34.854,1127 16.087,1128 2105,1129 3804,1130 11.326,1131 19.489,1132 24.781,1133 25.063,1134 25.075,1135 24.644,1136 24.63,1137 33.239,1138 4.682,1139 65.553,1140 23.83,1141 5.397,1142 5.596,1143 6.204,1144 5.039,1145 5.045,1146 7.457,1147 3.925,1148 16.99,1149 4.868,1150 6.927,1151 1.458,1152 1.474,1153 1.475,1154 1.45,1155 1.449,1156 1.955,1157 0.275,1158 3.856,1159 1.402,1160 4.118,1161 4.166,1162 4.079,1163 3.981,1164 7.474,1165 3.998,1166 3.713,1167 3.763,1168 3.589,1169 3.555,1170 6.351,1171 3.551,1172 3.414,1173 3.457,1174 3.317,1175 3.224,1176 5.053,1177 3.239,1178 3.273,1179 3.323,1180 3.154,1181 3.108,1182 4.375,1183 3.111,1184 2.961,1185 3.009,1186 2.827,1187 2.751,1188 4.043,1189 2.766,1190 2.649,1191 2.733,1192 2.424,1193 2.375,1194 3.711,1195 2.381,1196 2.321,1197 2.442,1198 2.152,1199 2.049,1200 3.353,1201 2.046,1202 2.263,1203 2.369,1204 1.978,1205 1.995,1206 3.184,1207 1.99,1208 0.265,1209 0.212,1210 0.383,1211 0.235,1212 0.179,1213 4.509,1214 0.262,1215 3.596,1216 0.138,1217 6.512,1218 0.601,1219 4.002,1220 0.172,1221 3.045,1222 4.457,1223 2.341,1224 10.214,1225 2.919,1226 1.953,1227 1.916,1228 2.069,1229 2.083,1230 1.348,1231 2.078,1232 1.672,1233 1.62,1234 1.891,1235 1.862,1236 1.106,1237 1.874,1238 1.368,1239 1.31,1240 1.563,1241 1.606,1242 0.754,1243 1.589,1244 1.215,1245 1.163,1246 1.429,1247 1.478,1248 0.421,1249 1.463,1250 1.012,1251 0.951,1252 1.221,1253 1.199,1254 0.303,1255 1.214,1256 0.792,1257 0.737,1258 1.104,1259 1.119,1260 0.212,1261 1.117,1262 0.475,1263 0.393,1264 0.852,1265 0.8,1267 0.832,1268 0.228,1269 0.096,1270 0.747,1271 0.618,1273 0.677,1274 3.555,1276 4.812,1277 2.398,1278 6.256,1279 4.595,1280 7.801,1281 6.605,1282 9.407,1289 8.535,1290 2.785,1300 18.633,1301 46.884,1302 105.597,1303 127.207,1304 135.207,1305 139.207,1306 139.207,1307 22.79,1308 5.869,1309 54.6,1310 54.6,1311 11,1312 11.676,1313 3.585,1314 2.807,1315 26.185,1316 44,1317 44,1318 0.292,1319 118.036,1320 196.02,1321 279.767,1322 2216,1324 11.38,1325 0.711,1326 0.56,1327 11.38,1328 8.965,1329 7.771,1330 0.457,1331 0.317,1332 5.314,1333 7.455,1334 5.223,1335 4.343,1336 7.771,1337 5.385,1338 6.724,1339 0.306,1340 0.174,1341 6.724,1342 3.82,1343 5.08,1344 0.188,1345 0.097,1346 5.08,1347 2.626,1348 4.218,1349 0.124,1350 0.053,1351 4.218,1352 1.813,1353 2.986,1354 0.083,1355 0.031,1356 2.986,1357 1.125,1358 0.455,1359 48.855,1360 0.297,1361 16.476,1362 0.795,1363 78,1364 247.175,1365 86.286,1366 237.533,1367 313.96,1368 220,1369 88,1370 222.3,1371 95.348,1372 224.136,1373 320.43,1374 210,1375 6.409} {0 CHEMBL483900,1 1.514,2 10.853,3 6.078,4 36.942,5 133.198,6 9.038,7 0.684,8 4.043,9 4.131,10 3.779,11 3.751,12 5.315,13 3.73,14 4.521,15 4.637,16 4.203,17 4.165,18 5.747,19 4.135,20 4.796,21 4.932,22 4.298,23 4.334,24 6.036,25 4.281,26 4.849,27 5.031,28 4.331,29 4.317,30 6.062,31 4.269,32 4.781,33 4.936,34 4.347,35 4.293,36 6.138,37 4.256,38 4.793,39 4.958,40 4.258,41 4.278,42 6.074,43 4.207,44 4.745,45 4.924,46 4.219,47 4.249,48 5.911,49 4.167,50 4.679,51 4.836,52 4.139,53 4.195,54 5.955,55 4.126,56 0.043,57 0.619,58 6.285,59 3.672,60 16.344,61 4.208,62 0.07,63 1.015,64 12.29,65 6.563,66 22.37,67 8.068,68 0.209,69 1.343,70 19.967,71 9.018,72 52.152,73 10.266,74 0.16,75 1.543,76 23.048,77 9.835,78 50.084,79 12.279,80 0.257,81 1.509,82 17.573,83 7.902,84 52.041,85 9.012,86 0.273,87 1.403,88 21.586,89 9.069,90 69.761,91 10.609,92 0.197,93 1.242,94 24.67,95 10.038,96 46.006,97 12.932,98 0.081,99 1.193,100 17.848,101 8.543,102 33.482,103 10.791,104 48,105 57,106 0.244,107 0.625,108 0.722,109 0.812,110 0.827,111 0.827,112 3.561,113 0.861,114 -5.93,115 -5.78,116 -5.38,118 54.9,119 2,129 1,139 2,140 9,141 8,142 1,144 1,150 1,154 2,157 1,168 19,172 4,175 1,177 5,180 28,186 9,191 6,194 23,198 10,203 7,206 18,209 2,210 6,213 2,215 5,218 24,221 1,222 1,227 4,229 28,234 6,239 3,242 28,247 8,252 3,255 22,259 10,262 1,264 1,267 13,270 1876,271 22.79,272 22.79,273 22.79,274 22.79,275 22.79,276 19.539,277 13.94,278 12.924,279 23.098,280 18.661,281 18.661,282 18.661,283 18.661,284 18.661,285 13.315,286 11.531,287 5.985,288 19.253,289 4.159,290 1.791,291 1.192,292 0.633,293 0.539,294 0.539,295 4.266,297 1,300 1,301 796,302 4,305 49.788,306 274.774,309 87.811,310 203.029,313 1.971,314 34.191,317 0.75,318 0.67,319 1,320 0.4,321 0.5,322 1,323 1,324 0.76,325 71.333,326 369,327 4.885,328 4.105,329 7.078,330 4.38,331 3.397,332 5.056,333 2.035,334 12.275,335 3.343,336 4.526,337 4.036,338 6.774,339 4.108,340 3.12,341 4.254,342 2.035,343 11.128,344 3.087,345 4.363,346 3.809,347 6.398,348 4.059,349 3.1,350 3.89,351 1.128,352 9.963,353 2.961,354 4.098,355 3.405,356 6.125,357 3.624,358 2.635,359 3.84,361 8.88,362 2.604,363 4.078,364 3.056,365 6.092,366 3.576,367 2.614,368 3.466,370 8.711,371 2.51,372 3.734,373 2.919,374 5.275,375 3.181,376 2.19,377 2.948,379 6.696,380 2.169,381 3.665,382 2.824,383 5.164,384 3.053,385 2.101,386 2.903,388 6.02,389 2.043,390 3.52,391 2.43,392 5.149,393 2.996,394 2.061,395 2.866,397 6.008,398 1.859,399 3.398,400 2.368,401 4.969,402 2.857,403 1.888,404 2.66,406 5.711,407 1.76,408 3.146,409 2.067,410 4.255,411 2.3,412 1.309,413 1.953,415 3.436,416 1.292,417 3.005,418 1.902,419 4.144,420 2.126,421 1.145,422 1.738,424 2.87,425 1.118,426 2.762,427 1.326,428 3.793,429 2,430 1,431 1.5,433 2.711,434 1,435 2.76,436 1.167,437 3.701,438 1.847,439 0.909,440 1.424,442 2.486,443 0.841,444 2.5,445 1.039,446 3.372,447 1.627,448 0.657,449 1.145,451 1.616,452 0.635,453 2.496,454 1,455 3.161,456 1.522,457 0.575,458 1.052,460 1.05,461 0.543,462 16.648,463 0.49,464 1.059,465 0.031,466 51,467 1.5,468 30,469 0.882,470 21,471 0.618,472 28.167,473 0.828,474 31.952,475 0.627,476 41.806,477 1.23,478 9.605,479 0.282,480 6.681,481 0.196,482 0.171,483 0.03,484 0.36,487 0.781,488 0.876,489 0.581,490 0.716,491 0.658,492 0.698,493 0.626,494 0.88,495 0.564,496 0.779,497 0.451,498 0.727,499 1.199,500 1.059,501 1.006,502 0.99,503 0.958,504 0.996,505 0.732,506 1.154,507 0.717,508 0.883,509 0.709,510 0.836,511 0.924,512 0.972,513 0.818,514 0.847,515 0.809,516 0.884,517 1.035,518 0.91,519 1.047,520 0.968,521 1.025,522 1.014,523 0.698,524 0.809,525 0.942,526 0.899,527 0.62,528 0.865,529 0.68,530 1.104,531 0.848,532 1.091,533 0.821,534 1.053,535 8,536 0.279,537 4,538 2.785,539 2.642,540 1.81,541 1.144,542 0.912,543 0.552,544 0.564,545 14877,546 45852,547 2.084,548 33.3,550 9,553 2,555 6,558 1.767,559 1.915,560 3.373,561 0.118,567 77.201,568 1.514,569 3.882,570 4.48,571 5.04,572 5.133,573 5.133,574 2.871,575 4.653,576 5.052,577 3.611,578 2025.55,579 8.903,580 29389,585 289.294,586 1.642,587 4.997,588 0.211,589 0.01,590 0.07,591 0.046,592 0.042,593 0.029,594 0.021,595 0.017,596 0.011,597 0.014,598 0.47,599 0.33,600 0.63,601 1.2,602 178.318,603 -0.089,604 0.052,606 0.083,607 -0.063,608 0.064,609 0.074,610 0.039,611 0.125,612 0.086,613 0.095,614 0.121,615 -0.191,616 -0.12,617 -0.162,618 -0.077,619 -0.162,620 -0.11,621 0.01,622 -0.124,623 0.124,624 0.055,625 -0.005,626 0.123,627 -0.011,628 0.127,629 -0.038,630 0.008,631 0.055,632 -0.045,633 -0.077,634 0.079,635 -0.085,636 -0.019,637 -0.059,638 -0.077,639 0.09,640 0.07,641 0.149,642 0.138,643 0.061,644 0.184,645 0.027,646 -0.197,647 -0.01,648 -0.139,649 0.03,650 -0.092,651 2.353,652 3.987,653 0.676,654 37.246,655 1.005,656 1.099,657 4.698,658 22.068,659 0.758,660 3.664,661 4.06,662 4.369,663 4.736,664 5.081,665 5.303,666 5.576,667 5.832,668 6.045,669 6.176,670 6.727,671 0.732,672 460.94,673 3.664,674 5.252,675 6.133,676 7.062,677 7.971,678 8.906,679 9.829,680 10.769,681 11.7,682 12.643,683 7.8,691 1,692 2,693 1,698 6,699 9,700 1,701 1,704 6,706 26,707 2,723 1,724 51,726 29,727 4,728 38,730 55,731 28,733 21,734 11,735 9,739 5,740 12,741 1,745 2,752 4,753 21,754 3,755 1,772 17,773 4,774 2,775 6,776 1,778 1,779 4,784 0.4,785 1,788 1,801 1,802 4,805 1,806 2,809 2,830 1,832 2,836 2,837 1,840 34,845 1,852 1,853 3,858 2,860 4,861 1,862 2,863 1,869 17.75,870 10.443,871 7.292,872 3.063,874 6.223,875 1.702,876 1.001,877 5.098,878 15.082,879 4.06,880 4.751,881 5.512,882 6.254,883 6.99,884 7.588,885 8.24,886 8.867,887 9.445,888 9.941,889 1,890 61,891 12.495,893 5.501,894 7.878,895 23.425,897 19.715,899 2.378,900 80.861,904 176.567,905 203.352,906 95.69,907 39.149,908 42.683,911 203.352,912 258.399,913 95.69,914 17.65,916 127.97,917 52.317,918 107.583,919 36.205,920 176.567,921 39.149,922 176.567,923 299.042,924 42.683,925 39.149,927 105.94,928 70.627,929 42.683,931 101.027,932 147.169,933 89.995,935 176.567,936 138.373,937 242.501,940 176.567,941 33.151,942 102.937,943 84.05,944 160.736,945 176.567,946 138.373,947 242.501,949 0.594,950 0.341,951 0.195,952 0.118,953 30,954 14,955 0.018,956 1,957 3,958 1.261,959 4.211,960 350.086,961 0.261,962 23,963 162.974,968 21.665,969 8.001,970 3.813,971 5.144,972 121.588,973 16.468,974 4.849,975 3.358,978 3.04,980 59.469,981 557.441,982 57,994 51.243,995 56.053,996 0.267,997 0.684,998 0.79,999 0.888,1000 0.905,1001 0.905,1002 5.345,1003 2.061,1004 6.176,1005 6.02,1006 4.745,1007 5.44,1008 3.001,1009 7.081,1010 4.688,1011 6.638,1012 1.888,1013 7.794,1014 6.008,1015 4.575,1016 5.427,1018 8.253,1019 4.471,1020 8.001,1021 1.309,1022 9.513,1023 5.711,1024 6.466,1025 7.846,1026 4.288,1027 11.329,1028 6.368,1029 9.399,1030 1.145,1031 11.29,1032 3.436,1033 7.066,1034 8.673,1036 13.264,1037 6.93,1038 10.824,1039 1,1040 13.103,1041 2.87,1042 8.487,1043 10.563,1044 5.666,1045 15.921,1046 8.349,1047 12.273,1048 0.909,1049 14.941,1050 2.711,1051 9.413,1052 11.794,1054 18.161,1055 9.247,1056 13.739,1057 0.657,1058 16.796,1059 2.486,1060 10.671,1061 13.483,1062 7.074,1063 20.688,1064 10.497,1065 3.397,1066 0.575,1067 18.665,1068 1.616,1069 11.742,1070 14.912,1072 23.058,1073 11.545,1074 3.12,1075 12.275,1076 20.544,1077 1.05,1078 12.945,1079 16.531,1080 8.491,1081 25.546,1082 12.735,1083 3.1,1084 11.128,1085 22.432,1086 5.056,1087 14.08,1088 18.055,1090 27.975,1091 13.851,1092 2.635,1093 9.963,1094 24.327,1095 4.254,1096 15.267,1097 19.656,1098 9.911,1099 30.453,1100 15.024,1101 2.614,1102 8.88,1103 26.228,1104 3.89,1105 16.432,1106 21.224,1108 32.911,1109 16.172,1110 2.19,1111 8.711,1112 28.134,1113 3.84,1114 17.618,1115 22.824,1116 11.331,1117 35.391,1118 17.344,1119 2.101,1120 6.696,1121 30.044,1122 3.466,1123 18.798,1124 24.415,1126 37.864,1127 18.508,1128 14285,1129 25200,1130 24.967,1131 38.665,1132 62.54,1133 64.302,1134 60.901,1135 58.377,1136 58.199,1137 83.002,1138 10.395,1139 180.28,1140 56.275,1141 5.563,1142 6.105,1143 6.696,1144 5.413,1145 5.397,1146 8.056,1147 4.069,1148 20.275,1149 5.343,1150 19.488,1151 1.646,1152 1.692,1153 1.603,1154 1.536,1155 1.532,1156 2.184,1157 0.274,1158 4.744,1159 1.481,1160 4.269,1161 4.29,1162 4.265,1163 4.214,1164 6.825,1165 4.219,1166 3.95,1167 3.971,1168 3.94,1169 3.902,1170 6.815,1171 3.904,1172 3.796,1173 3.82,1174 3.843,1175 3.743,1176 6.453,1177 3.739,1178 3.678,1179 3.712,1180 3.707,1181 3.578,1182 5.139,1183 3.581,1184 3.608,1185 3.656,1186 3.518,1187 3.465,1188 4.864,1189 3.474,1190 3.279,1191 3.325,1192 3.269,1193 3.133,1194 4.788,1195 3.16,1196 3.1,1197 3.142,1198 3.264,1199 3.018,1200 4.593,1201 3.013,1202 3.05,1203 3.102,1204 3.01,1205 2.916,1206 4.388,1207 2.923,1208 0.129,1209 0.108,1210 0.186,1211 0.115,1212 0.089,1213 4.885,1214 0.133,1215 4.105,1216 0.054,1217 7.078,1218 0.323,1219 4.38,1220 0.088,1221 3.397,1222 5.056,1223 2.035,1224 12.275,1225 3.343,1226 2.175,1227 2.164,1228 2.213,1229 2.214,1230 1.425,1231 2.216,1232 1.94,1233 1.921,1234 2.005,1235 2.013,1236 1.111,1237 2.011,1238 1.788,1239 1.768,1240 1.909,1241 1.878,1242 1.009,1243 1.89,1244 1.637,1245 1.602,1246 1.816,1247 1.778,1248 0.937,1249 1.794,1250 1.395,1251 1.36,1252 1.487,1253 1.574,1254 0.612,1255 1.558,1256 1.277,1257 1.223,1258 1.417,1259 1.444,1260 0.469,1261 1.431,1262 1.2,1263 1.163,1264 1.377,1265 1.366,1266 0.417,1267 1.331,1268 1.032,1269 0.994,1270 1.256,1271 1.239,1272 0.322,1273 1.308,1274 4.344,1276 5.72,1277 2.398,1278 7.292,1279 4.727,1280 8.961,1281 6.88,1282 10.687,1284 3.277,1285 6.352,1289 9.987,1296 -1.103,1298 19.281,1299 10.208,1300 37.315,1301 77.201,1302 197.97,1303 228.5,1304 257.029,1305 261.784,1306 261.784,1307 64.051,1308 8.859,1309 96.49,1310 96.49,1311 29,1312 13.139,1313 4.907,1314 4.322,1315 49.678,1316 139,1317 140,1318 0.183,1319 232.13,1320 399.78,1321 558.156,1322 89524,1323 2,1324 24.035,1325 0.707,1326 0.562,1327 24.535,1328 19.119,1329 16.285,1330 0.429,1331 0.287,1332 10.495,1333 15.7,1334 10.108,1335 8.38,1336 16.574,1337 10.905,1338 15.756,1339 0.276,1340 0.157,1341 16.164,1342 8.956,1343 12.765,1344 0.164,1345 0.074,1346 13.027,1347 5.81,1348 11.293,1349 0.1,1350 0.038,1351 11.513,1352 4.281,1353 10.145,1354 0.063,1355 0.02,1356 10.416,1357 3.217,1358 0.279,1359 102.911,1360 0.2,1361 30.692,1362 0.526,1363 190,1364 519.621,1365 213.838,1366 561.364,1367 766.34,1368 520,1369 230,1370 551.78,1371 247.775,1372 582.879,1373 852.59,1374 548,1375 6.097} {0 CHEMBL488,1 1.526,2 6.824,3 1.285,4 1.651,5 65.354,6 7.04,7 0.333,8 3.574,9 3.705,10 3.07,11 3.111,12 4.699,13 3.079,14 4.111,15 4.284,16 3.458,17 3.534,18 5.195,19 3.47,20 4.451,21 4.65,22 3.603,23 3.727,24 5.555,25 3.655,26 4.565,27 4.778,28 3.506,29 3.73,30 5.792,31 3.621,32 4.57,33 4.843,34 3.205,35 3.594,36 5.564,37 3.432,38 4.294,39 4.594,40 2.897,41 3.218,42 5.301,43 3.052,44 3.791,45 4.063,46 2.495,47 2.619,48 5.133,49 2.511,50 3.335,51 3.646,52 1.634,53 1.996,54 4.515,55 1.861,56 0.031,57 0.473,58 7.14,59 3.037,60 9.038,61 4.132,62 0.132,63 0.75,64 12.901,65 5.467,66 23.752,67 7.561,68 0.164,69 0.97,70 19.097,71 7.052,72 44.242,73 9.784,74 0.328,75 1.023,76 22.037,77 7.647,78 81.934,79 10.754,80 0.288,81 0.945,82 23.115,83 7.621,84 61.745,85 11.145,86 0.204,87 0.683,88 17.881,89 5.554,90 45.577,91 8.396,92 0.257,93 0.408,94 11.011,95 2.692,96 53.155,97 4.111,98 0.182,99 0.24,100 7.226,101 1.243,102 34.541,103 2.158,104 18,105 26,106 0.289,107 0.637,108 0.778,109 0.835,110 0.835,111 0.835,112 2.91,113 0.964,114 -2.61,115 -2.63,116 -2.56,118 39.4,119 1,120 3,122 1,140 4,141 1,142 1,154 2,159 1,160 1,161 1,168 9,172 2,175 2,177 4,180 11,183 2,186 4,191 5,194 12,196 2,197 1,198 5,203 4,206 9,208 1,210 4,215 3,218 4,220 1,222 3,227 2,232 2,234 2,236 1,237 1,238 1,239 2,241 1,245 2,261 1,262 1,270 322,271 11.179,272 11.179,273 11.179,274 11.179,275 11.179,276 10.17,277 13.858,278 6.274,279 11.202,280 8.705,281 8.705,282 8.705,283 8.705,284 8.705,285 7.134,286 16.078,287 2.799,288 8.719,289 3.518,290 1.675,291 0.932,292 0.629,293 0.629,294 0.629,295 3.553,299 1,300 1,301 237,302 2.449,306 108.129,313 0.913,314 21.867,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 37,326 116,327 4.711,328 4.178,329 7.94,330 4.604,331 3.601,332 4.001,333 2.041,334 14.94,335 3.609,336 3.872,337 3.527,338 5.545,339 3.471,340 2.479,341 3.344,342 1.837,343 6.824,344 2.455,345 3.602,346 2.948,347 5.074,348 3.285,349 2.281,350 2.806,351 0.242,352 6.139,353 2.277,354 3.191,355 2.462,356 4.88,357 2.782,358 1.764,359 2.362,361 5.083,362 1.786,363 2.755,364 1.706,365 4.539,366 2.469,367 1.462,368 1.743,370 3.95,371 1.463,372 2.5,373 1.107,374 3.528,375 2,376 1,377 1.5,379 2.275,380 1,381 1.769,382 1,383 3.414,384 1.675,385 0.661,386 0.694,388 1.233,389 0.667,390 1.297,391 0.798,392 3.04,393 1.11,394 0.096,395 0.109,397 0.162,398 0.096,399 1,400 0.44,401 2.797,402 0.649,403 -0.339,404 -0.41,406 -0.697,407 -0.334,408 0.954,409 0.01,410 2.168,411 0.539,412 -0.515,413 -0.647,415 -1.248,416 -0.531,417 0.5,418 -0.505,419 2,421 -1,422 -1.358,424 -2.946,425 -1,426 0.091,427 -0.709,428 1.657,429 -0.06,430 -1.102,431 -1.5,433 -3,434 -1.143,435 -0.083,436 -1,437 1.482,438 -0.337,439 -1.309,440 -1.538,442 -3.159,443 -1.282,444 -0.236,445 -1.083,446 1,447 -0.457,448 -1.491,449 -1.835,451 -4.296,452 -1.535,453 -0.5,454 -1.47,455 0.88,456 -0.702,457 -1.7,458 -2,459 -0.355,460 -5.275,461 -1.697,462 7.967,463 0.469,464 0.505,465 0.03,466 19.75,467 1.162,468 9.5,469 0.559,470 10.25,471 0.603,472 13.409,473 0.789,474 19.033,475 0.577,476 13.31,477 0.783,478 3.694,479 0.217,480 4.387,481 0.258,482 0.197,483 0.063,484 0.251,487 0.704,488 1.141,489 0.861,490 1.028,491 0.625,492 0.964,493 0.387,494 1.124,495 0.763,496 1.091,497 0.489,498 1.012,499 0.998,500 1.113,501 0.972,502 1.089,503 1.006,504 1.036,505 1.05,506 1.155,507 1.177,508 1.208,509 1.007,510 1.214,511 0.991,512 0.949,513 1.042,514 1.008,515 0.961,516 1.034,517 0.888,518 0.961,519 0.854,520 0.936,521 0.888,522 0.9,523 1.519,524 0.896,525 1.161,526 0.881,527 1.583,528 0.949,529 2.16,530 0.576,531 1.461,532 0.538,533 2.086,534 0.789,535 5,537 3.111,538 1.625,539 0.987,540 0.653,541 0.403,542 0.062,543 0.066,545 1934,546 5675,547 1.947,548 48.5,549 7,550 4,553 3,554 2,558 1.577,559 1.774,560 2.727,561 1.193,563 1,565 1,567 50.359,568 1.526,569 3.369,570 4.112,571 4.415,572 4.415,573 4.415,574 2.139,575 3.852,576 4.057,577 2.805,578 381.546,579 6.895,580 3337.27,582 1,585 166.465,586 1.735,587 3.975,588 0.278,590 0.12,591 0.056,592 0.041,593 0.038,594 0.034,595 0.009,596 0.033,598 0.608,599 0.67,600 1,601 0.972,602 68.355,603 -0.087,604 0.117,605 -0.001,606 0.099,607 -0.07,608 0.076,609 0.221,611 0.115,612 0.016,613 0.087,614 0.036,615 -0.091,616 -0.067,617 -0.038,618 -0.054,619 -0.085,620 -0.037,621 -0.026,622 -0.157,623 -0.221,624 -0.211,625 0.026,626 -0.242,627 -0.088,628 -0.059,629 -0.07,630 -0.055,631 -0.08,632 -0.059,633 0.008,634 -0.127,635 0.139,636 -0.016,637 0.008,638 0.068,639 -0.038,640 0.004,641 -0.086,642 -0.064,643 -0.033,644 -0.088,645 -0.497,646 0.326,647 -0.33,648 0.155,649 -0.428,650 -0.01,651 1.86,652 5.08,653 0.706,654 9.467,655 1.001,656 1.131,657 1.377,658 1.896,659 0.644,660 2.944,661 3.296,662 3.584,663 3.761,664 3.932,665 3.912,666 3.761,667 3.466,668 3.296,669 2.944,670 4,671 0.611,672 232.31,673 2.944,674 4.489,675 5.352,676 6.248,677 7.136,678 8.039,679 8.936,680 9.84,681 10.741,682 11.647,683 6.1,687 1,690 1,699 4,704 2,706 6,716 1,724 33,726 8,727 1,728 18,730 34,731 13,733 6,734 2,735 4,739 2,740 2,745 1,746 1,747 1,748 2,751 3,753 8,754 5,756 2,761 2,765 2,769 1,772 16,773 4,774 3,775 4,779 2,782 1,784 1,785 2,802 2,832 2,836 1,840 17,841 1,846 3,847 1,852 1,862 6.1,865 2,869 9.583,870 6,871 3.833,872 2.097,874 1.264,875 1.214,876 0.936,877 3.096,878 7.164,879 3.178,880 3.701,881 4.163,882 4.599,883 5.013,884 5.104,885 5.212,886 5.125,887 5.044,888 4.937,889 0.8,890 29,891 6.317,893 2.731,894 8.025,895 11.866,897 9.866,899 2.525,900 42.917,901 0.001,904 153.024,905 69.685,906 50.908,908 50.29,911 69.685,912 203.314,913 50.908,914 8.825,915 25.614,916 70.802,917 59.699,918 5.942,920 153.024,922 153.024,923 120.593,924 50.29,927 153.024,928 50.29,931 34.44,932 86.154,935 153.024,936 101.198,937 69.685,940 153.024,941 22.955,942 46.73,943 18.011,944 83.187,945 153.024,946 101.198,947 69.685,949 0.59,950 0.365,951 0.187,952 0.097,953 13,954 6,955 0.059,956 2,958 1,959 2.76,960 119.363,962 12,963 65.487,968 11.964,969 4.399,970 2.017,972 101.198,973 7.315,978 1.603,980 50.908,981 323.908,982 23,987 23.291,991 -0.379,994 33.043,995 37.322,996 0.303,997 0.668,998 0.815,999 0.875,1000 0.875,1001 0.875,1002 4.437,1003 0.096,1004 5.407,1005 1.233,1006 3.97,1007 4.382,1008 2.617,1009 6.344,1010 3.969,1011 5.66,1012 -0.339,1013 7.069,1014 0.162,1015 3.892,1016 4.331,1017 2.179,1018 7.947,1019 3.899,1020 7.006,1021 -0.515,1022 8.863,1023 -0.697,1024 5.746,1025 6.485,1026 3.673,1027 11.043,1028 5.743,1029 8.391,1030 -1,1031 10.745,1032 -1.248,1033 6.509,1034 7.176,1035 3.773,1036 13.483,1037 6.517,1038 9.813,1039 -1.102,1040 12.689,1041 -2.946,1042 7.942,1043 8.891,1044 4.881,1045 16.274,1046 7.944,1047 11.261,1048 -1.309,1049 14.674,1050 -3,1051 9.038,1052 9.907,1053 5.246,1054 18.918,1055 9.049,1056 12.729,1057 -1.491,1058 16.689,1059 -3.159,1060 10.353,1061 11.454,1062 6.162,1063 21.643,1064 10.363,1065 3.601,1066 -1.7,1067 18.723,1068 -4.296,1069 11.569,1070 12.631,1071 6.672,1072 24.333,1073 11.585,1074 2.479,1075 14.94,1076 20.769,1077 -5.275,1078 12.855,1079 14.099,1080 7.487,1081 27.043,1082 12.872,1083 2.281,1084 6.824,1085 22.825,1086 4.001,1087 14.114,1088 15.364,1089 8.078,1090 29.743,1091 14.134,1092 1.764,1093 6.139,1094 24.886,1095 3.344,1096 15.394,1097 16.793,1098 8.839,1099 32.449,1100 15.416,1101 1.462,1102 5.083,1103 26.95,1104 2.806,1105 16.666,1106 18.106,1107 9.477,1108 35.152,1109 16.692,1110 1,1111 3.95,1112 29.017,1113 2.362,1114 17.946,1115 19.514,1116 10.21,1117 37.857,1118 17.974,1119 0.661,1120 2.275,1121 31.086,1122 1.743,1123 19.224,1124 20.857,1125 10.875,1126 40.56,1127 19.254,1128 2047,1129 3561,1130 11.326,1131 21.25,1132 26.951,1133 28.304,1134 29.702,1135 26.703,1136 26.688,1137 33.119,1138 8.239,1139 81.211,1140 26.706,1141 5.711,1142 6.178,1143 7.355,1144 5.641,1145 5.601,1146 7.001,1147 3.56,1148 22.808,1149 5.609,1150 9.385,1151 1.497,1152 1.572,1153 1.65,1154 1.483,1155 1.483,1156 1.84,1157 0.458,1158 4.512,1159 1.484,1160 4.011,1161 4.04,1162 3.951,1163 3.933,1164 7.446,1165 3.932,1166 3.749,1167 3.79,1168 3.675,1169 3.613,1170 7.41,1171 3.619,1172 3.428,1173 3.498,1174 3.28,1175 3.244,1176 5.111,1177 3.239,1178 3.108,1179 3.167,1180 2.986,1181 2.885,1182 4.51,1183 2.892,1184 3.056,1185 3.137,1186 2.891,1187 2.768,1188 4.113,1189 2.804,1190 2.854,1191 2.928,1192 2.688,1193 2.735,1194 3.871,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.56,1200 3.674,1201 2.583,1202 2.368,1203 2.474,1204 2.091,1205 2.009,1206 3.495,1207 2.004,1208 0.262,1209 0.232,1210 0.441,1211 0.256,1212 0.2,1213 4.711,1214 0.222,1215 4.178,1216 0.113,1217 7.94,1218 0.83,1219 4.604,1220 0.2,1221 3.601,1222 4.001,1223 2.041,1224 14.94,1225 3.609,1226 1.976,1227 1.95,1228 2.094,1229 2.082,1230 1.394,1231 2.085,1232 1.716,1233 1.675,1234 1.886,1235 1.879,1236 1.005,1237 1.88,1238 1.422,1239 1.352,1240 1.73,1241 1.649,1242 0.918,1243 1.68,1244 1.04,1245 0.983,1246 1.291,1247 1.318,1248 0.408,1249 1.315,1250 0.955,1251 0.889,1252 1.19,1253 1.3,1254 0.218,1255 1.282,1256 0.886,1257 0.821,1258 1.181,1259 1.11,1260 0.157,1261 1.107,1262 0.763,1263 0.686,1264 1.109,1265 1.062,1266 0.049,1267 1.105,1268 0.345,1269 0.22,1270 0.874,1271 0.726,1273 0.778,1274 3.611,1276 4.949,1278 6.521,1280 8.197,1282 9.924,1284 1.964,1288 5.643,1290 1.637,1291 2.425,1296 -0.582,1300 20.16,1301 50.359,1302 111.181,1303 135.71,1304 145.71,1305 145.71,1306 145.71,1307 38.112,1308 5.9,1309 72.19,1310 72.19,1311 12,1312 12.166,1313 3.17,1314 2.585,1315 28.178,1316 38,1317 45,1318 0.372,1319 127.628,1320 224.22,1321 303.173,1322 1955,1324 12.466,1325 0.733,1326 0.578,1327 12.466,1328 9.825,1329 8.081,1330 0.449,1331 0.321,1332 5.732,1333 7.847,1334 5.573,1335 4.628,1336 8.081,1337 5.786,1338 7.324,1339 0.282,1340 0.171,1341 7.324,1342 4.435,1343 6.327,1344 0.181,1345 0.101,1346 6.327,1347 3.533,1348 4.973,1349 0.118,1350 0.056,1351 4.973,1352 2.368,1353 3.681,1354 0.074,1355 0.03,1356 3.681,1357 1.499,1358 0.542,1359 50.34,1360 0.297,1361 16.616,1362 1.155,1363 88,1364 253.116,1365 95.509,1366 245.698,1367 324.74,1368 226,1369 105,1370 230.371,1371 111.818,1372 233.755,1373 339.9,1374 220,1375 4.733} {0 CHEMBL496,1 1.75,2 6.762,3 7.256,4 52.652,5 88.012,6 15.07,7 0.545,8 3.45,9 3.468,10 3.582,11 3.227,12 4.801,13 3.195,14 3.888,15 3.916,16 4.088,17 3.654,18 5.271,19 3.602,20 4.206,21 4.23,22 4.521,23 3.855,24 5.785,25 3.781,26 4.251,27 4.308,28 4.395,29 3.756,30 5.792,31 3.652,32 4.089,33 4.178,34 4.228,35 3.592,36 5.608,37 3.48,38 3.867,39 3.894,40 4.236,41 3.477,42 5.606,43 3.422,44 3.825,45 3.811,46 4.49,47 3.435,48 5.735,49 3.342,50 3.39,51 3.462,52 3.93,53 2.928,54 5.036,55 2.7,56 0.29,57 0.25,58 4.917,59 1.259,60 33.378,61 1.186,62 0.428,63 0.382,64 10.724,65 1.884,66 44.305,67 2.314,68 0.791,69 0.483,70 25.82,71 3.448,72 83.435,73 3.371,74 1.006,75 0.517,76 33.147,77 5.156,78 115.404,79 4.137,80 0.848,81 0.442,82 41.28,83 5.182,84 88.313,85 5.245,86 0.651,87 0.337,88 20.179,89 3.203,90 75.985,91 3.108,92 0.735,93 0.274,94 23.207,95 3.032,96 74.906,97 2.137,98 0.5,99 0.184,100 28.573,101 2.835,102 46.266,103 2.363,104 65,105 33,106 0.344,107 0.607,108 0.676,109 0.745,110 0.745,111 0.745,112 3.104,113 1.051,114 -6.03,115 -5.88,116 -5.47,118 48.1,120 1,140 2,141 2,142 8,168 2,177 2,180 7,191 6,194 12,203 4,206 10,215 2,218 8,226 1,227 2,229 1,239 6,242 6,255 9,270 502,271 13.121,272 13.121,273 13.121,274 13.121,275 13.121,276 11.197,277 10.994,278 7.178,279 13.817,280 10.685,281 10.685,282 10.685,283 10.685,284 10.685,285 7.992,286 11.133,287 3.316,288 12.246,289 3.005,290 1.667,291 1.315,292 0.963,293 0.963,294 0.963,295 3.746,297 6,300 1,301 286,302 2.449,306 136.761,313 0.889,314 38.128,317 0.75,318 0.83,319 1,320 0.4,322 1,323 1,324 0.71,325 46,326 142,327 4.576,328 3.636,329 6.762,330 4.152,331 3.221,332 4.302,333 0.68,334 10.904,335 2.974,336 4.452,337 3.504,338 6.606,339 3.976,340 3.068,341 4.183,343 10.283,344 2.738,345 3.637,346 2.955,347 5.686,348 3.141,349 2.303,350 3,352 7.063,353 1.861,354 3.637,355 2.954,356 5.686,357 3.14,358 2.303,359 3,361 7.063,362 1.815,363 3.46,364 2.705,365 5.281,366 3.049,367 2.14,368 2.757,370 6.379,371 1.815,372 3.237,373 2.414,374 5.071,375 2.764,376 1.865,377 2.501,379 5.624,380 1.594,381 1.827,382 1.841,383 3.596,384 1.577,385 0.696,386 0.758,388 1.837,389 0.567,390 1.781,391 1.756,392 3.335,393 1.295,394 0.618,395 0.686,397 1.416,398 0.351,399 1.781,400 1.455,401 3.335,402 1.275,403 0.618,404 0.686,406 1.416,407 0.336,408 1.214,409 0.779,410 3.07,411 0.837,417 0.646,418 0.258,419 2.524,420 0.128,421 -0.556,422 -0.643,424 -1.293,425 -0.298,426 0.573,427 0.258,428 1.769,429 0.057,430 -0.57,431 -0.649,433 -1.303,434 -0.299,435 0.196,436 -0.375,437 1.729,438 -0.163,439 -1,440 -1.158,442 -2.743,443 -0.674,444 -0.137,445 -0.554,446 1.729,447 -0.576,448 -1.303,449 -1.5,451 -3.219,452 -0.777,453 -0.137,454 -0.609,455 1.597,456 -0.613,457 -1.303,458 -1.5,460 -3.219,461 -0.885,462 11.452,463 0.545,464 0.851,465 0.041,466 26,467 1.238,468 13,469 0.619,470 13,471 0.619,472 20.924,473 0.996,474 22.148,475 0.82,476 17.351,477 0.826,478 5.004,479 0.238,480 4.731,481 0.225,482 0.432,484 0.437,487 0.84,488 0.774,489 0.52,490 0.409,491 0.95,492 0.473,493 0.738,494 1.091,495 0.611,496 0.599,497 0.697,498 0.632,499 0.903,500 1.214,501 0.898,502 1.026,503 0.892,504 1.008,505 1.268,506 1.064,507 1.15,508 1.166,509 1.379,510 1.274,511 0.993,512 0.867,513 1.203,514 1.249,515 0.945,516 1.183,517 0.938,518 0.984,519 0.899,520 0.794,521 0.928,522 0.633,523 1.012,524 1.031,525 1.029,526 1.048,527 1.031,528 0.914,529 1.27,530 0.838,531 1.495,532 1.338,533 1.137,534 1.545,535 5.5,537 4,538 2.375,539 1.831,540 0.681,541 0.656,542 0.375,543 0.082,545 3350,546 20896,547 1.863,548 22.2,549 2,550 2,553 2,558 1.64,559 1.636,560 2.813,561 0.472,567 47.257,568 1.75,569 3.087,570 3.44,571 3.792,572 3.792,573 3.792,574 2.035,575 2.678,576 4.372,577 2.921,578 613.405,579 7.527,580 6473,585 128.382,586 1.441,587 4.242,588 0.25,590 0.121,591 0.063,592 0.061,593 0.026,594 0.023,595 0.016,596 0.009,598 0.569,599 0.67,600 0.88,601 0.74,602 92.206,603 -0.146,604 0.227,605 -0.026,606 0.19,607 -0.194,608 0.125,609 -0.054,610 -0.123,611 0.004,612 0.05,613 -0.024,614 0.061,615 -0.009,616 -0.273,617 -0.043,618 -0.2,619 0.007,620 -0.2,621 -0.228,622 -0.079,623 -0.175,624 -0.117,625 -0.27,626 -0.246,627 -0.017,628 0.12,629 -0.109,630 -0.126,631 -0.007,632 0.03,633 0.099,634 -0.021,635 0.044,636 0.17,637 0.165,638 0.274,639 0.223,640 -0.151,641 0.176,642 -0.029,643 0.201,644 -0.077,645 -0.093,646 0.057,647 0.039,648 -0.025,649 -0.148,650 -0.214,651 1.919,652 4.019,653 0.571,654 11.519,655 1.07,656 1.095,657 4.804,658 23.081,659 0.875,660 3.135,661 3.526,662 3.807,663 3.97,664 4.174,665 4.174,666 4.043,667 3.97,668 4.043,669 3.97,670 4.57,671 0.835,672 406.89,673 3.135,674 4.71,675 5.58,676 6.475,677 7.363,678 8.26,679 9.152,680 10.049,681 10.943,682 11.839,699 2,704 10,706 12,721 2,723 6,724 27,726 12,727 2,728 22,730 28,731 13,733 12,734 10,735 2,739 2,740 2,741 6,751 1,753 12,754 1,772 6,773 2,774 2,775 8,776 6,784 1,785 2,802 2,832 2,837 6,840 21,845 2,846 1,861 6,862 7.4,864 2,869 12.833,870 4.924,871 4.556,872 1.398,874 2.348,875 1.368,876 0.925,877 5.544,878 8.733,879 3.367,880 4.078,881 4.649,882 5.143,883 5.663,884 5.821,885 5.834,886 6.135,887 6.551,888 6.803,889 1,890 38,891 7.721,893 3.422,894 8.302,895 13.752,897 11.18,899 2.802,900 58.833,904 47.084,905 48.862,907 234.892,908 85.367,911 48.862,912 367.343,915 2.535,916 18.952,917 85.367,918 27.375,920 47.084,921 234.892,922 47.084,923 48.862,924 85.367,925 234.892,927 47.084,928 85.367,931 2.535,932 46.327,933 234.892,935 47.084,936 85.367,937 283.754,940 47.084,941 29.909,942 18.952,944 320.259,945 47.084,946 85.367,947 283.754,949 0.613,950 0.381,951 0.179,952 0.096,953 16,954 10,955 0.071,956 2,958 1,959 3.004,960 162.804,962 12,963 72.239,968 17.432,969 6.679,970 3.377,972 85.367,973 2.632,978 0.516,980 85.367,981 416.205,982 28,994 28.898,995 29.574,996 0.368,997 0.649,998 0.723,999 0.797,1000 0.797,1001 0.797,1002 4.644,1003 0.618,1004 5.638,1005 1.837,1006 4.205,1007 4.762,1008 0.655,1009 6.521,1010 3.932,1011 5.928,1012 0.618,1013 7.273,1014 1.416,1015 4.111,1016 4.913,1018 7.561,1019 3.611,1020 7.293,1022 9.002,1023 1.416,1024 5.894,1025 7.076,1026 0.356,1027 10.674,1028 5.457,1029 8.689,1030 -0.556,1031 10.778,1033 6.524,1034 7.93,1036 12.438,1037 5.866,1038 10.109,1039 -0.57,1040 12.581,1041 -1.293,1042 7.877,1043 9.667,1044 0.18,1045 15.119,1046 7.275,1047 11.546,1048 -1,1049 14.404,1050 -1.303,1051 8.805,1052 10.829,1054 17.201,1055 8.028,1056 12.996,1057 -1.303,1058 16.24,1059 -2.743,1060 10.019,1061 12.407,1062 0.087,1063 19.714,1064 9.253,1065 3.221,1066 -1.303,1067 18.086,1068 -3.219,1069 11.076,1070 13.715,1072 21.949,1073 10.174,1074 3.068,1075 10.904,1076 19.942,1077 -3.219,1078 12.245,1079 15.225,1080 0.041,1081 24.386,1082 11.314,1083 2.303,1084 10.283,1085 21.804,1086 4.302,1087 13.356,1088 16.605,1090 26.693,1091 12.315,1092 2.303,1093 7.063,1094 23.673,1095 4.183,1096 14.513,1097 18.083,1098 0.019,1099 29.096,1100 13.418,1101 2.14,1102 7.063,1103 25.547,1104 3,1105 15.648,1106 19.497,1108 31.436,1109 14.456,1110 1.865,1111 6.379,1112 27.425,1113 3,1114 16.801,1115 20.96,1116 0.009,1117 33.823,1118 15.543,1119 0.696,1120 5.624,1121 29.307,1122 2.757,1123 17.947,1124 22.392,1126 36.181,1127 16.6,1128 3538,1129 8892,1130 13.066,1131 23.625,1132 33.868,1133 36.691,1134 36.853,1135 34.046,1136 33.662,1137 43.746,1138 1.36,1139 103.97,1140 28.1,1141 5.361,1142 5.636,1143 5.762,1144 5.152,1145 5.221,1146 7.302,1147 1.36,1148 18.375,1149 4.974,1150 15.158,1151 1.539,1152 1.668,1153 1.675,1154 1.548,1155 1.53,1156 1.988,1157 0.062,1158 4.726,1159 1.277,1160 4.001,1161 4.003,1162 4.221,1163 3.964,1164 6.473,1165 3.956,1166 3.841,1167 3.837,1168 4.134,1169 3.808,1170 6.465,1171 3.797,1172 3.189,1173 3.23,1174 3.67,1175 3.112,1176 5.053,1177 3.09,1178 2.988,1179 2.965,1180 3.669,1181 2.9,1182 5.009,1183 2.877,1184 2.985,1185 2.961,1186 3.467,1187 2.897,1188 4.669,1189 2.877,1190 2.774,1191 2.783,1192 3.387,1193 2.667,1194 4.667,1195 2.658,1196 2.468,1197 2.515,1198 3.114,1199 2.162,1200 4.482,1201 2.144,1202 2.163,1203 2.183,1204 2.862,1205 1.816,1206 4.464,1207 1.795,1208 0.208,1209 0.165,1210 0.307,1211 0.189,1212 0.146,1213 4.576,1214 0.196,1215 3.636,1216 0.031,1217 6.762,1218 0.496,1219 4.152,1220 0.135,1221 3.221,1222 4.302,1223 0.68,1224 10.904,1225 2.974,1226 1.946,1227 1.942,1228 1.964,1229 2,1230 1.239,1231 2.006,1232 1.793,1233 1.795,1234 1.773,1235 1.844,1236 0.978,1237 1.848,1238 1.184,1239 1.145,1240 1.376,1241 1.314,1242 0.585,1243 1.353,1244 0.829,1245 0.849,1246 0.918,1247 1.077,1249 1.036,1250 0.828,1251 0.848,1252 0.856,1253 1.056,1255 1.015,1256 0.7,1257 0.684,1258 0.69,1259 0.79,1261 0.826,1262 0.352,1263 0.284,1264 0.583,1265 0.638,1267 0.678,1270 0.299,1271 0.343,1273 0.371,1274 3.807,1276 5.176,1278 6.744,1280 8.406,1282 10.115,1285 35.693,1289 20.038,1290 -0.046,1300 22.555,1301 47.257,1302 83.362,1303 92.872,1304 102.382,1305 102.382,1306 102.382,1307 65.739,1308 6.385,1309 40.46,1310 40.46,1311 12,1312 12.364,1313 3.7,1314 2.807,1315 38.917,1316 58,1317 42,1318 0.346,1319 161.109,1320 279.94,1321 384.867,1322 3868,1323 22.2,1324 15.895,1325 0.757,1326 0.693,1327 18.895,1328 14.56,1329 9.735,1330 0.442,1331 0.35,1332 5.592,1333 7.927,1334 5.27,1335 4.248,1336 11.467,1337 7.711,1338 9.38,1339 0.284,1340 0.198,1341 11.53,1342 6.524,1343 8.323,1344 0.189,1345 0.115,1346 11.01,1347 5.063,1348 5.85,1349 0.112,1350 0.061,1351 7.781,1352 3.196,1353 4.483,1354 0.07,1355 0.033,1356 6.105,1357 2.094,1358 0.514,1359 78.617,1360 0.277,1361 20.051,1362 1.043,1363 110,1364 411.52,1365 207.324,1366 577.857,1367 706.92,1368 526,1369 132,1370 363.237,1371 219.731,1372 427.821,1373 633.2,1374 400,1375 5.51} {0 CHEMBL49633,1 1.464,2 9.895,3 3.264,4 10.65,5 73.665,6 6.676,7 0.5,8 3.728,9 3.856,10 3.187,11 3.236,12 4.778,13 3.195,14 4.276,15 4.47,16 3.466,17 3.613,18 5.338,19 3.523,20 4.552,21 4.816,22 3.359,23 3.706,24 5.381,25 3.561,26 4.535,27 4.808,28 3.251,29 3.653,30 5.339,31 3.487,32 4.469,33 4.758,34 3.017,35 3.516,36 5.242,37 3.324,38 4.326,39 4.617,40 2.92,41 3.367,42 5.11,43 3.186,44 4.183,45 4.462,46 2.843,47 3.243,48 5.021,49 3.079,50 4.048,51 4.317,52 2.76,53 3.113,54 4.936,55 2.965,56 0.03,57 0.547,58 8.957,59 3.69,60 7.032,61 5.148,62 0.201,63 0.87,64 16.142,65 6.116,66 34.152,67 8.857,68 0.223,69 1,70 21.951,71 7.731,72 33.558,73 11.417,74 0.2,75 0.965,76 21.556,77 7.626,78 32.163,79 11.345,80 0.215,81 0.865,82 20.369,83 6.946,84 33.435,85 10.427,86 0.193,87 0.738,88 17.697,89 6.001,90 30.044,91 8.97,92 0.175,93 0.646,94 15.326,95 5.108,96 27.338,97 7.608,98 0.162,99 0.566,100 13.401,101 4.344,102 25.428,103 6.467,104 13,105 25,106 0.265,107 0.57,108 0.712,109 0.82,110 0.873,111 0.892,112 3.007,113 1.033,114 -3.67,115 -3.64,116 -3.46,118 38.5,120 7,140 3,143 1,150 2,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 4,175 1,177 1,180 7,181 1,186 4,191 1,194 6,195 1,198 5,203 1,206 6,207 1,210 3,215 1,218 5,219 1,222 3,227 1,229 4,230 1,234 3,239 1,242 3,243 1,247 3,252 1,255 3,259 1,260 1,267 2,268 1,270 456,271 12.949,272 12.949,273 12.949,274 12.949,275 12.949,276 11.585,277 6.78,278 8.19,279 13.118,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.88,286 3.363,287 3.927,288 10.198,289 3.822,290 2.135,291 1.352,292 0.757,293 0.462,294 0.359,295 3.671,298 1,299 1,300 1,301 393,302 3.391,305 42.585,306 54.576,309 81.234,313 1.607,314 14.897,315 1,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 41,326 188,327 4.509,328 3.596,329 6.512,330 3.986,331 3.045,332 4.457,333 2.341,334 10.214,335 2.865,336 3.55,337 3.117,338 5.203,339 3.242,340 2.237,341 2.877,343 6.251,344 2.224,345 3.5,346 2.292,347 4.659,348 3.118,349 2.138,350 2.71,352 5.184,353 2.094,354 3.048,355 1.815,356 4.139,357 2.748,358 1.75,359 2.321,361 3.732,362 1.742,363 2.808,364 1.548,365 3.801,366 2.516,367 1.548,368 1.81,370 3.54,371 1.495,372 2.5,373 1.402,374 3.449,375 2.266,376 1.27,377 1.5,379 2.649,380 1.26,381 2.38,382 1,383 3.375,384 1.923,385 1,386 1.36,388 2.232,389 0.921,390 2.062,391 0.979,392 3.115,393 1.746,394 0.766,395 0.935,397 1.747,398 0.747,399 1.65,400 0.672,401 2.723,402 1.419,403 0.439,404 0.52,406 0.969,407 0.428,408 1.12,409 0.388,410 2.354,411 0.917,412 -0.08,413 -0.09,415 -0.176,416 -0.08,417 0.76,418 0.061,419 2.152,420 0.468,421 -0.526,422 -0.619,424 -1.196,425 -0.518,426 0.5,427 -0.325,428 1.762,429 0.073,430 -0.949,431 -1.057,433 -2,434 -0.901,435 0.45,436 -0.787,437 1.567,438 -0.037,439 -1,440 -1.353,442 -2.115,443 -0.947,444 0.153,445 -1,446 1.484,447 -0.053,448 -1,449 -1.5,451 -2.43,452 -1.007,453 -0.1,454 -1.191,455 1.046,456 -0.424,457 -1.41,458 -1.625,460 -3.238,461 -1.402,462 8.967,463 0.472,464 0.315,465 0.017,466 21.25,467 1.118,468 9.5,469 0.5,470 11.75,471 0.618,472 15.264,473 0.803,474 21.633,475 0.555,476 11.939,477 0.628,478 3.846,479 0.202,480 5.425,481 0.286,482 0.074,484 0.212,487 0.794,488 1.441,489 0.906,490 1.216,491 0.674,492 1.099,493 0.489,494 1.272,495 0.974,496 1.218,497 0.355,498 1.17,499 0.85,500 0.948,501 0.969,502 0.947,503 0.792,504 0.971,505 0.747,506 1.014,507 0.975,508 1.021,509 0.703,510 1.031,511 0.819,512 0.944,513 1.036,514 1.007,515 0.784,516 1.044,517 0.855,518 0.889,519 0.958,520 0.929,521 0.851,522 0.955,523 0.986,524 0.923,525 1.015,526 0.953,527 0.988,528 0.982,529 1.128,530 0.938,531 1.056,532 0.951,533 1.138,534 0.985,535 2.5,536 0.074,537 1.556,538 0.688,539 0.453,540 0.226,541 0.157,542 0.115,543 0.064,544 0.07,545 3711,546 10294,547 2.025,548 51.3,549 10,550 3,552 2,553 1,554 4,558 1.591,559 1.932,560 3.252,561 -0.301,563 1,565 1,567 57.089,568 1.464,569 3.15,570 3.933,571 4.529,572 4.824,573 4.926,574 2.65,575 4.037,576 4.218,577 3.475,578 594.14,579 7.128,580 6364.97,581 1,582 1,583 1,584 1,585 206.131,586 1.19,587 4.196,588 0.125,589 0.007,590 0.062,591 0.031,592 0.024,593 0.016,594 0.012,595 0.01,596 0.006,597 0.007,598 0.3,599 0.67,600 1,601 2.354,602 85.938,603 -0.044,604 -0.182,605 0.027,606 -0.04,607 -0.014,608 -0.007,609 0.214,610 -0.123,611 -0.039,612 -0.142,613 0.237,614 -0.132,615 -0.075,616 0.031,617 -0.022,618 0.046,619 -0.049,620 0.023,621 -0.041,622 -0.057,623 -0.038,624 -0.034,625 -0.035,626 -0.036,627 -0.068,628 -0.018,629 -0.091,630 -0.051,631 -0.068,632 -0.069,633 -0.053,634 0.017,635 -0.006,636 0.023,637 -0.062,638 0.017,639 -0.09,640 0.004,641 -0.051,643 -0.1,644 -0.016,645 -0.126,646 0.004,647 -0.077,648 -0.004,649 -0.138,650 -0.028,651 2.355,652 3.363,653 0.474,654 15.474,655 0.995,656 1.132,657 2.441,658 5.957,659 0.635,660 3.045,661 3.258,662 3.434,663 3.638,664 3.689,665 3.664,666 3.664,667 3.664,668 3.401,669 3.401,670 6.163,671 0.595,672 260.37,673 3.045,674 4.511,675 5.303,676 6.129,677 6.948,678 7.787,679 8.621,680 9.469,681 10.313,682 11.168,683 5.1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 39,726 11,728 20,730 40,731 15,733 7,739 2,740 3,751 7,753 8,754 7,756 1,761 1,765 1,768 1,769 1,772 20,773 3,774 1,775 4,778 1,779 2,784 0.5,785 2,795 1,801 1,802 1,805 1,818 1,830 1,832 1,840 19,845 1,846 7,862 5.1,864 1,865 1,869 9.833,870 6.683,871 4.389,872 2.614,874 2.101,875 1.342,876 0.923,877 5.253,878 8.243,879 3.296,880 3.812,881 4.345,882 4.931,883 5.315,884 5.558,885 5.84,886 6.118,887 5.513,888 5.525,889 1,890 22,891 7.016,893 2.839,894 7.789,895 13.645,897 10.929,899 2.289,900 43.5,901 0.001,904 223.651,905 69.647,906 18.072,908 67.828,911 69.647,912 291.479,913 18.072,915 17.742,916 28.429,917 117.684,918 10.334,919 4.901,920 200.109,922 223.651,923 87.719,924 67.828,927 223.651,928 67.828,931 36.694,932 34.24,933 16.786,935 223.651,936 85.9,937 69.647,940 223.651,941 23.552,942 47.381,944 84.614,945 223.651,946 85.9,947 69.647,949 0.55,950 0.296,951 0.158,952 0.076,953 10,954 4,955 0.2,956 8,957 1,958 1.222,959 3.339,960 121.459,961 0.222,962 9,963 80.711,968 13.914,969 7.173,970 4.267,971 1.138,972 84.614,973 9.994,974 4.155,978 1.292,980 42.683,981 379.198,982 26,987 10.363,991 -0.688,994 38.811,995 44.152,996 0.277,997 0.596,998 0.744,999 0.857,1000 0.913,1001 0.932,1002 4.46,1003 0.766,1004 5.22,1005 2.232,1006 3.932,1007 4.494,1008 2.258,1009 5.922,1010 3.872,1011 5.612,1012 0.439,1013 6.701,1014 1.747,1015 3.219,1016 4.205,1017 2.243,1018 6.676,1019 3.088,1020 6.879,1021 -0.08,1022 8.294,1023 0.969,1024 5.389,1025 6.679,1026 3.628,1027 9.788,1028 5.245,1029 8.193,1030 -0.526,1031 9.964,1032 -0.176,1033 5.602,1034 7.38,1035 4.112,1036 11.53,1037 5.348,1038 9.552,1039 -0.949,1040 11.688,1041 -1.196,1042 7.165,1043 9.271,1044 5.201,1045 14.125,1046 6.903,1047 10.942,1048 -1,1049 13.452,1050 -2,1051 7.849,1052 10.422,1053 5.889,1054 16.232,1055 7.467,1056 12.359,1057 -1,1058 15.244,1059 -2.115,1060 9.147,1061 12.083,1062 6.849,1063 18.659,1064 8.745,1065 3.045,1066 -1.41,1067 17.057,1068 -2.43,1069 10.065,1070 13.432,1071 7.625,1072 20.899,1073 9.553,1074 2.237,1075 10.214,1076 18.885,1077 -3.238,1078 11.251,1079 14.997,1080 8.526,1081 23.264,1082 10.703,1083 2.138,1084 6.251,1085 20.725,1086 4.457,1087 12.277,1088 16.43,1089 9.342,1090 25.554,1091 11.635,1092 1.75,1093 5.184,1094 22.572,1095 2.877,1096 13.418,1097 17.955,1098 10.216,1099 27.896,1100 12.727,1101 1.548,1102 3.732,1103 24.426,1104 2.71,1105 14.492,1106 19.423,1107 11.051,1108 30.205,1109 13.721,1110 1.27,1111 3.54,1112 26.284,1113 2.321,1114 15.616,1115 20.931,1116 11.912,1117 32.537,1118 14.789,1119 1,1120 2.649,1121 28.146,1122 1.81,1123 16.712,1124 22.414,1125 12.755,1126 34.854,1127 15.813,1128 3756,1129 6322,1130 13.405,1131 24.773,1132 28.615,1133 28.999,1134 28.953,1135 28.375,1136 28.382,1137 36.982,1138 4.682,1139 73.036,1140 27.554,1141 5.446,1142 5.596,1143 6.376,1144 5.033,1145 5.045,1146 7.457,1147 3.925,1148 16.989,1149 4.841,1150 8.093,1151 1.431,1152 1.45,1153 1.448,1154 1.419,1155 1.419,1156 1.849,1157 0.234,1158 3.652,1159 1.378,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.474,1165 3.996,1166 3.778,1167 3.836,1168 3.634,1169 3.648,1170 6.351,1171 3.633,1172 3.581,1173 3.63,1174 3.451,1175 3.421,1176 5.051,1177 3.417,1178 3.363,1179 3.416,1180 3.257,1181 3.201,1182 4.377,1183 3.207,1184 3.253,1185 3.307,1186 3.109,1187 3.07,1188 4.15,1189 3.072,1190 2.995,1191 3.054,1192 2.835,1193 2.791,1194 3.911,1195 2.796,1196 2.743,1197 2.821,1198 2.527,1199 2.509,1200 3.661,1201 2.506,1202 2.488,1203 2.599,1204 2.204,1205 2.206,1206 3.344,1207 2.191,1208 0.225,1209 0.18,1210 0.326,1211 0.199,1212 0.152,1213 4.509,1214 0.223,1215 3.596,1216 0.117,1217 6.512,1218 0.511,1219 3.986,1220 0.143,1221 3.045,1222 4.457,1223 2.341,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.08,1229 2.089,1230 1.406,1231 2.085,1232 1.768,1233 1.712,1234 1.987,1235 1.93,1236 1.237,1237 1.955,1238 1.553,1239 1.5,1240 1.799,1241 1.744,1242 1.05,1243 1.761,1244 1.349,1245 1.292,1246 1.556,1247 1.574,1248 0.786,1249 1.562,1250 1.196,1251 1.133,1252 1.434,1253 1.465,1254 0.49,1255 1.463,1256 1.013,1257 0.952,1258 1.225,1259 1.207,1260 0.338,1261 1.218,1262 0.886,1263 0.82,1264 1.218,1265 1.182,1266 0.3,1267 1.196,1268 0.605,1269 0.525,1270 0.986,1271 0.931,1272 0.124,1273 0.96,1274 3.714,1276 4.949,1277 2.398,1278 6.365,1279 4.595,1280 7.883,1281 6.605,1282 9.467,1289 8.536,1290 6.581,1300 23.214,1301 57.089,1302 122.854,1303 153.402,1304 176.621,1305 188.131,1306 192.131,1307 31.085,1308 6.142,1309 54.6,1310 54.6,1311 11,1312 11.725,1313 3.585,1314 2.807,1315 34.187,1316 70,1317 66,1318 0.236,1319 146.813,1320 247.92,1321 349.983,1322 3450,1324 13.502,1325 0.711,1326 0.583,1327 13.502,1328 11.086,1329 9.271,1330 0.464,1331 0.344,1332 6.819,1333 8.958,1334 6.7,1335 5.596,1336 9.271,1337 6.889,1338 7.785,1339 0.311,1340 0.195,1341 7.785,1342 4.867,1343 5.83,1344 0.194,1345 0.112,1346 5.83,1347 3.356,1348 4.749,1349 0.128,1350 0.063,1351 4.749,1352 2.323,1353 3.357,1354 0.086,1355 0.038,1356 3.357,1357 1.476,1358 0.386,1359 57.817,1360 0.273,1361 19.837,1362 0.599,1363 90,1364 259.175,1365 98.619,1366 249.877,1367 331.66,1368 232,1369 100,1370 235.653,1371 107.515,1372 237.287,1373 338.99,1374 223,1375 7.678} {0 CHEMBL506247,1 1.55,2 21.869,3 8.179,4 66.889,5 381.422,6 9.777,7 0.455,8 5.339,9 5.366,10 5.056,11 4.758,12 6.818,13 4.856,14 5.764,15 5.79,16 5.497,17 5.136,18 7.328,19 5.238,20 6.116,21 6.163,22 5.715,23 5.287,24 7.824,25 5.402,26 6.266,27 6.353,28 5.666,29 5.255,30 7.839,31 5.383,32 6.22,33 6.29,34 5.754,35 5.283,36 8.03,37 5.395,38 6.224,39 6.299,40 5.767,41 5.401,42 7.917,43 5.491,44 6.359,45 6.435,46 5.864,47 5.529,48 7.952,49 5.621,50 6.477,51 6.55,52 6.005,53 5.616,54 8.091,55 5.717,56 2.435,57 2.143,58 21.201,59 16.337,60 346.252,61 10.358,62 3.76,63 3.265,64 28.872,65 25.138,66 426.803,67 18.714,68 6.534,69 4.306,70 53.905,71 33.29,72 792.321,73 25.398,74 8.663,75 4.676,76 90.798,77 36.243,78 1143.7,79 25.691,80 9.077,81 4.507,82 83.31,83 35.174,84 1175.94,85 29.986,86 7.72,87 4.809,88 74.915,89 37.766,90 1058.69,91 32.008,92 8.496,93 5.508,94 84.149,95 43.053,96 1152.45,97 33.55,98 9.638,99 6.154,100 92.277,101 48.213,102 1211.35,103 39.832,104 1226,105 197,106 0.199,107 0.436,108 0.492,109 0.557,110 0.63,111 0.673,112 4.813,113 0.754,114 -5.02,115 -4.92,116 -4.61,118 43.7,124 1,126 4,127 1,140 20,141 10,142 30,154 10,168 20,171 11,172 25,177 15,180 10,185 6,186 45,189 5,190 15,191 35,197 5,198 11,201 5,202 5,203 25,206 5,209 22,210 16,213 35,215 5,218 15,221 8,222 30,225 25,227 15,229 15,233 20,234 36,237 1,239 20,242 13,246 14,247 52,250 10,251 10,252 15,255 15,258 11,259 23,262 16,263 15,264 15,267 27,270 77312,271 78.252,272 78.252,273 78.252,274 78.252,275 78.252,276 68.78,277 74.657,278 43.49,279 79.94,280 64.613,281 64.613,282 64.613,283 64.613,284 64.613,285 50.057,286 64.814,287 20.51,288 67.72,289 5.893,290 4.039,291 3.601,292 3.094,293 2.528,294 2.19,295 5.509,301 5688,302 7.969,306 5323.02,313 2.912,314 411.113,317 0.25,319 0.17,320 0.2,321 0.5,322 0.17,324 0.18,325 290,326 2668,327 4.462,328 3.838,329 6.855,330 4.206,331 3.262,332 4.138,333 1.77,334 11.466,335 3.072,336 4.453,337 3.726,338 6.448,339 4.055,340 3.093,341 4.137,342 1.674,343 9.921,344 2.97,345 4.452,346 3.718,347 6.445,348 4.052,349 3.09,350 4.137,351 1.674,352 9.908,353 2.967,354 4.452,355 3.715,356 6.445,357 4.051,358 3.09,359 4.137,360 1.674,361 9.905,362 2.966,363 4.452,364 3.715,365 6.444,366 4.051,367 3.089,368 4.137,369 1.674,370 9.901,371 2.966,372 4.394,373 3.702,374 6.44,375 4.035,376 3.075,377 4.084,378 1.674,379 9.886,380 2.948,381 4.387,382 3.68,383 6.353,384 3.973,385 3.006,386 4.083,387 1.674,388 9.509,389 2.906,390 4.386,391 3.663,392 6.352,393 3.971,394 3.004,395 4.083,396 1.674,397 9.503,398 2.903,399 4.386,400 3.654,401 6.352,402 3.97,403 3.003,404 4.083,405 1.674,406 9.502,407 2.902,408 4.386,409 3.649,410 6.351,411 3.969,412 3.003,413 4.083,414 1.674,415 9.501,416 2.901,417 4.248,418 3.384,419 6.351,420 3.956,421 2.992,422 3.388,423 1.072,424 9.496,425 2.88,426 3.963,427 3.209,428 6.101,429 3.651,430 2.699,431 3.304,433 8.794,434 2.549,435 3.944,436 3.208,437 5.972,438 3.599,439 2.637,440 3.297,442 8.34,443 2.512,444 3.938,445 3.207,446 5.959,447 3.585,448 2.619,449 3.294,451 8.282,452 2.504,453 3.936,454 3.206,455 5.954,456 3.582,457 2.614,458 3.292,460 8.255,461 2.502,462 53.333,463 0.437,464 4.508,465 0.037,466 170.25,467 1.395,468 90,469 0.738,470 80.25,471 0.658,472 159.619,473 1.308,474 136.267,475 0.783,476 297.796,477 2.441,478 35.373,479 0.29,480 21.979,481 0.18,482 0.219,484 0.516,487 1.091,488 0.926,489 0.748,490 0.874,491 1.022,492 0.684,493 0.804,494 1.198,495 0.62,496 1.169,497 0.674,498 0.92,499 0.929,500 1.27,501 0.875,502 1.261,503 0.771,504 1.119,505 1.375,506 1.023,507 1.209,508 0.999,509 1.274,510 0.99,511 0.81,512 0.847,513 0.864,514 0.855,515 0.844,516 0.882,517 0.844,518 0.992,519 0.847,520 0.992,521 0.824,522 0.95,523 1.043,524 1.049,525 0.992,526 1.041,527 0.912,528 1.003,529 0.929,530 1.161,531 0.905,532 1.156,533 0.819,534 1.069,535 33,536 2.568,537 20.222,538 10.688,539 11.88,540 5.903,541 4.251,542 3.99,543 3.411,544 3.219,545 435922,546 1837350,547 1.968,548 29.9,550 26,551 1,553 25,558 2.051,559 1.76,560 4.245,561 16.987,567 269.723,568 1.55,569 3.404,570 3.842,571 4.349,572 4.915,573 5.253,574 3.696,575 6.597,576 6.898,577 4.569,578 33723.1,579 12.675,580 1234530,585 1295.07,586 1.541,587 6.811,588 0.25,589 0.008,590 0.103,591 0.047,592 0.056,593 0.026,594 0.017,595 0.015,596 0.011,597 0.01,598 0.542,599 0.17,600 0.25,601 0.574,602 896.975,603 -0.275,604 0.173,605 -0.112,606 0.196,607 -0.263,608 0.174,609 -0.002,610 -0.103,611 0.032,612 -0.098,613 0.002,614 -0.043,615 0.015,616 -0.232,617 -0.049,618 -0.242,619 0.051,620 -0.211,621 -0.294,622 -0.047,623 -0.18,624 -0.031,625 -0.265,626 -0.026,627 0.242,628 0.144,629 0.119,630 0.126,631 0.156,632 0.07,633 0.082,634 0.031,635 0.056,636 0.028,637 0.085,638 0.025,639 -0.11,640 -0.025,641 -0.094,642 -0.023,643 -0.045,644 -0.038,645 0.009,646 -0.141,647 0.001,648 -0.141,649 0.005,650 -0.101,651 4.452,652 8.272,653 0.541,654 285.902,655 1.069,656 1.117,657 -9.787,658 95.776,659 0.671,660 4.89,661 5.288,662 5.568,663 5.781,664 6.059,665 6.178,666 6.273,667 6.412,668 6.652,669 6.849,670 14.531,671 0.704,672 1701.28,673 4.89,674 6.491,675 7.362,676 8.259,677 9.144,678 10.04,679 10.929,680 11.825,681 12.717,682 13.614,699 20,704 40,706 60,715 10,721 25,724 174,726 70,727 10,728 132,730 184,731 76,733 60,734 40,735 20,736 10,739 11,740 11,748 4,751 4,753 70,754 6,756 10,761 10,765 10,772 52,773 46,774 25,775 46,784 1,785 46,802 11,831 1,832 11,840 122,845 25,846 1,848 11,850 5,862 26.4,864 25,865 10,866 1,867 10,869 69.333,870 29.833,871 26.028,872 8.528,874 4.376,875 1.39,876 0.846,877 27.298,878 15.593,879 5.153,880 5.808,881 6.362,882 6.856,883 7.394,884 7.598,885 7.754,886 7.867,887 8.302,888 8.67,889 0.867,890 228,891 48.238,893 24.8,894 8.697,895 77.884,897 63.874,899 3.197,900 390,904 317.82,905 324.463,908 1439.53,911 324.463,912 1757.35,915 4.592,916 189.885,917 1401.45,918 168.072,919 11.771,920 306.049,922 317.82,923 324.463,924 1439.53,927 317.82,928 1428.53,929 11,930 0.36,931 4.592,932 319.511,935 317.82,936 1439.53,937 324.463,940 318.179,941 134.579,942 189.525,944 1439.53,945 317.82,946 1439.53,947 324.463,949 0.609,950 0.367,951 0.176,952 0.1,953 88,954 55,955 0.168,956 31,958 1,959 8.841,960 2020.05,962 66,963 804.795,968 90.326,969 36.871,970 19.954,972 1439.53,973 8.56,978 -47.476,980 1067.08,981 2081.81,982 172,987 142.428,991 -18.38,994 186.029,995 194.428,996 0.208,997 0.457,998 0.516,999 0.584,1000 0.66,1001 0.706,1002 6.449,1003 3.004,1004 7.403,1005 9.509,1006 5.979,1007 6.5,1008 4.095,1009 8.26,1010 5.884,1011 7.704,1012 3.003,1013 9.013,1014 9.503,1015 5.802,1016 6.538,1018 9.216,1019 5.662,1020 9.046,1021 3.003,1022 10.712,1023 9.502,1024 7.649,1025 8.726,1026 5.105,1027 12.307,1028 7.477,1029 10.416,1030 2.992,1031 12.459,1032 9.501,1033 8.197,1034 9.48,1036 13.984,1037 7.974,1038 11.808,1039 2.699,1040 14.233,1041 9.496,1042 9.579,1043 11.222,1044 6.136,1045 16.616,1046 9.329,1047 13.217,1048 2.637,1049 16.025,1050 8.794,1051 10.438,1052 12.298,1054 18.618,1055 10.135,1056 14.639,1057 2.619,1058 17.829,1059 8.34,1060 11.653,1061 13.866,1062 7.177,1063 21.071,1064 11.321,1065 3.262,1066 2.614,1067 19.644,1068 8.282,1069 12.652,1070 15.1,1072 23.238,1073 12.269,1074 3.093,1075 11.466,1076 21.466,1077 8.255,1078 13.804,1079 16.589,1080 8.224,1081 25.62,1082 13.387,1083 3.09,1084 9.921,1085 23.295,1086 4.138,1087 14.868,1088 17.906,1090 27.876,1091 14.401,1092 3.09,1093 9.908,1094 25.129,1095 4.137,1096 15.998,1097 19.356,1098 9.273,1099 30.235,1100 15.493,1101 3.089,1102 9.905,1103 26.967,1104 4.137,1105 17.093,1106 20.717,1108 32.543,1109 16.54,1110 3.075,1111 9.901,1112 28.81,1113 4.137,1114 18.217,1115 22.149,1116 10.324,1117 34.901,1118 17.623,1119 3.006,1120 9.886,1121 30.656,1122 4.137,1123 19.329,1124 23.533,1126 37.242,1127 18.686,1128 413039,1129 848318,1130 82.604,1131 116.703,1132 204.074,1133 217.5,1134 214.987,1135 201.887,1136 202.134,1137 260.301,1138 35.823,1139 616.453,1140 191.86,1141 5.462,1142 5.838,1143 6.147,1144 5.314,1145 5.262,1146 7.138,1147 3.541,1148 19.019,1149 5.072,1150 104.063,1151 1.546,1152 1.648,1153 1.629,1154 1.529,1155 1.531,1156 1.972,1157 0.271,1158 4.67,1159 1.453,1160 4.106,1161 4.105,1162 4.071,1163 3.98,1164 7.454,1165 4,1166 3.952,1167 3.95,1168 3.926,1169 3.85,1170 7.431,1171 3.866,1172 3.951,1173 3.949,1174 3.925,1175 3.85,1176 7.431,1177 3.866,1178 3.95,1179 3.948,1180 3.924,1181 3.849,1182 7.431,1183 3.865,1184 3.95,1185 3.948,1186 3.923,1187 3.849,1188 7.431,1189 3.864,1190 3.913,1191 3.915,1192 3.877,1193 3.809,1194 7.431,1195 3.822,1196 3.889,1197 3.892,1198 3.857,1199 3.802,1200 7.43,1201 3.813,1202 3.888,1203 3.89,1204 3.856,1205 3.801,1206 7.43,1207 3.812,1208 0.034,1209 0.029,1210 0.052,1211 0.032,1212 0.025,1213 4.462,1214 0.031,1215 3.838,1216 0.013,1217 6.855,1218 0.087,1219 4.206,1220 0.023,1221 3.262,1222 4.138,1223 1.77,1224 11.466,1225 3.072,1226 1.903,1227 1.901,1228 1.97,1229 2.055,1230 1.305,1231 2.022,1232 1.894,1233 1.892,1234 1.953,1235 2.019,1236 1.057,1237 1.993,1238 1.894,1239 1.892,1240 1.952,1241 2.017,1242 1.055,1243 1.992,1244 1.893,1245 1.891,1246 1.951,1247 2.016,1248 1.054,1249 1.991,1250 1.893,1251 1.891,1252 1.951,1253 2.016,1254 1.054,1255 1.991,1256 1.855,1257 1.85,1258 1.928,1259 1.989,1260 1.051,1261 1.965,1262 1.846,1263 1.84,1264 1.911,1265 1.957,1266 1.022,1267 1.938,1268 1.845,1269 1.839,1270 1.91,1271 1.955,1272 1.021,1273 1.937,1274 5.58,1276 6.959,1278 8.515,1280 10.151,1282 11.831,1289 261.202,1290 -1.708,1292 60.427,1294 -15.053,1300 122.578,1301 269.723,1302 592.267,1303 668.548,1304 756.657,1305 855.169,1306 913.937,1307 776.746,1308 11.217,1309 777.98,1310 777.98,1311 66,1312 14.139,1313 6.15,1314 5.358,1315 214.41,1316 963,1317 1288,1318 0.093,1319 725.192,1320 1377.14,1321 1761.23,1322 1596250,1324 89.382,1325 0.733,1326 0.491,1327 89.382,1328 59.894,1329 57.352,1330 0.434,1331 0.251,1332 32.34,1333 53.777,1334 32.153,1335 26.187,1336 57.352,1337 33.185,1338 55.585,1339 0.282,1340 0.128,1341 55.585,1342 25.13,1343 48.263,1344 0.185,1345 0.065,1346 48.263,1347 16.915,1348 35.731,1349 0.111,1350 0.034,1351 35.731,1352 10.847,1353 30.118,1354 0.071,1355 0.017,1356 30.118,1357 7.21,1358 0.144,1359 373.392,1360 0.11,1361 81.709,1362 0.263,1363 658,1364 2860.19,1365 779.675,1366 2634.77,1367 3414.22,1368 2410,1369 787,1370 2406.85,1371 911.131,1372 2374.54,1373 3508.15,1374 2222,1375 6.488} {0 CHEMBL50916,1 1.344,2 9.429,3 3.331,4 11.098,5 83.122,6 6.487,7 0.261,8 3.849,9 3.971,10 3.294,11 3.425,12 4.83,13 3.365,14 4.449,15 4.626,16 3.637,17 3.884,18 5.414,19 3.776,20 4.799,21 5.051,22 3.536,23 4.009,24 5.536,25 3.832,26 4.792,27 5.072,28 3.506,29 3.953,30 5.53,31 3.776,32 4.72,33 4.987,34 3.487,35 3.913,36 5.499,37 3.741,38 4.694,39 4.984,40 3.306,41 3.804,42 5.437,43 3.612,44 4.525,45 4.809,46 3.067,47 3.608,48 5.272,49 3.406,50 4.354,51 4.646,52 2.986,53 3.399,54 5.112,55 3.218,56 0.043,57 0.592,58 10.298,59 4.679,60 8.185,61 6.316,62 0.186,63 1.028,64 19.106,65 8.32,66 35.732,67 11.563,68 0.198,69 1.318,70 27.503,71 11.216,72 34.356,73 15.902,74 0.211,75 1.28,76 27.405,77 10.848,78 37.556,79 15.611,80 0.164,81 1.233,82 25.383,83 10.066,84 31.165,85 14.602,86 0.204,87 1.169,88 24.965,89 9.314,90 32.381,91 13.755,92 0.185,93 0.952,94 21.114,95 7.997,96 31.87,97 11.565,98 0.141,99 0.778,100 17.816,101 6.68,102 24.304,103 9.618,104 11,105 31,106 0.237,107 0.563,108 0.779,109 0.89,110 0.914,111 0.914,112 3.103,113 1.046,114 -4.4,115 -4.33,116 -4.08,118 40.9,120 6,121 4,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 21,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 5,215 1,218 14,219 1,222 3,227 1,229 10,230 1,234 2,239 1,242 7,243 2,247 3,252 2,255 3,256 4,259 5,264 4,267 1,268 2,270 641,271 14.397,272 14.397,273 14.397,274 14.397,275 14.397,276 13.204,277 9.708,278 8.852,279 14.467,280 11.409,281 11.409,282 11.409,283 11.409,284 11.409,285 9.732,286 6.108,287 4.258,288 11.508,289 4.116,290 2.268,291 1.04,292 0.409,293 0.273,294 0.273,295 3.784,298 1,299 1,300 1,301 424,302 3.24,305 103.321,306 126.121,313 1.401,314 16.038,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 44.5,326 198,327 4.353,328 3.597,329 6.944,330 4.291,331 3.291,332 3.636,333 2.341,334 11.766,335 3.29,336 3.752,337 3.407,338 5.771,339 3.453,340 2.461,341 3.02,343 7.759,344 2.442,345 3.559,346 2.574,347 5.217,348 3.241,349 2.236,350 2.721,352 6.194,353 2.224,354 3.198,355 2.192,356 4.686,357 3.013,358 2.013,359 2.262,361 5.184,362 2.011,363 3.015,364 1.895,365 4.657,366 2.735,367 1.751,368 2.143,370 4.725,371 1.722,372 2.858,373 1.754,374 3.765,375 2.542,376 1.547,377 1.857,379 3.277,380 1.534,381 2.5,382 1.396,383 3.56,384 2.207,385 1.224,386 1.5,388 2.828,389 1.201,390 2.477,391 1.095,392 3.27,393 1.956,394 1,395 1.467,397 2.136,398 0.953,399 1.928,400 1,401 3.247,402 1.795,403 0.795,404 0.847,406 1.773,407 0.792,408 1.649,409 0.723,410 3.168,411 1.609,412 0.61,413 0.627,415 1.491,416 0.609,417 1.295,418 0.614,419 2.699,420 1.055,421 0.056,422 0.065,424 0.139,425 0.056,426 0.758,427 0.205,428 2.288,429 0.549,430 -0.448,431 -0.48,433 -1.062,434 -0.442,435 0.53,436 -0.082,437 2.153,438 0.112,439 -0.872,440 -1.074,442 -2,443 -0.841,444 0.5,445 -0.712,446 2.095,447 -0.002,448 -1,449 -1.235,451 -2.047,452 -0.963,453 0.324,454 -0.939,455 1.555,456 -0.027,457 -1,458 -1.331,460 -2.347,461 -0.975,462 10.067,463 0.479,464 0.418,465 0.02,466 21,467 1,468 8.5,469 0.405,470 12.5,471 0.595,472 20.368,473 0.97,474 23.533,475 0.535,476 11.704,477 0.557,478 3.478,479 0.166,480 6.776,481 0.323,482 0.066,484 0.298,487 0.733,488 1.174,489 0.926,490 1.103,491 0.659,492 1.048,493 0.417,494 1.196,495 1.027,496 1.205,497 0.346,498 1.186,499 0.705,500 1.099,501 1.071,502 1.128,503 0.704,504 1.144,505 0.625,506 0.9,507 0.882,508 0.913,509 0.585,510 0.926,511 0.535,512 1.102,513 0.955,514 1.069,515 0.481,516 1.06,517 0.649,518 0.958,519 0.979,520 0.969,521 0.554,522 0.996,523 0.818,524 0.985,525 1.037,526 1.021,527 0.804,528 1.048,529 0.786,530 0.946,531 0.852,532 0.957,533 0.86,534 0.919,535 3,536 0.078,537 1.778,538 1.285,539 0.828,540 0.469,541 0.256,542 0.128,543 0.14,544 0.159,545 4485,546 10918,547 2.102,548 52.3,549 14,550 4,552 2,553 1,554 2,558 1.63,559 2,560 3.186,561 -0.385,562 1,563 1,565 1,567 59.114,568 1.344,569 3.192,570 4.419,571 5.05,572 5.187,573 5.187,574 2.684,575 3.916,576 4.355,577 3.372,578 708.063,579 7.461,580 7640.47,582 1,584 1,585 240.215,586 1.268,587 4.338,588 0.13,589 0.009,590 0.057,591 0.049,592 0.032,593 0.019,594 0.013,595 0.009,596 0.01,597 0.011,598 0.339,599 0.67,600 1,601 1.787,602 95.655,603 -0.04,604 0.024,605 0.033,606 0.064,607 0.001,608 0.056,609 0.167,610 -0.073,611 -0.087,612 -0.101,613 0.211,614 -0.119,615 -0.053,616 -0.111,617 -0.136,618 -0.112,619 -0.042,620 -0.132,621 -0.005,622 0.058,623 0.054,624 0.073,625 0.011,626 0.07,627 0.009,628 -0.105,629 -0.026,630 -0.071,631 0.01,632 -0.056,633 -0.031,634 0.025,635 -0.039,636 -0.015,637 -0.03,638 -0.023,639 -0.055,640 -0.04,641 -0.088,642 -0.062,643 -0.067,644 -0.075,645 0.046,646 -0.034,647 0.105,648 -0.007,649 -0.029,650 0.048,651 2.382,652 3.519,653 0.619,654 17.982,655 0.988,656 1.125,657 3.167,658 10.028,659 0.643,660 3.178,661 3.466,662 3.738,663 4.06,664 4.234,665 4.277,666 4.344,667 4.394,668 4.369,669 4.29,670 5.648,671 0.596,672 285.42,673 3.178,674 4.691,675 5.533,676 6.412,677 7.288,678 8.185,679 9.08,680 9.988,681 10.894,682 11.808,683 2.3,693 1,699 4,700 1,704 1,706 6,724 44,726 8,728 23,730 46,731 18,733 5,739 3,740 4,748 3,749 4,751 6,753 8,754 10,755 4,756 2,761 1,763 2,765 1,768 1,769 1,772 23,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,822 2,830 1,832 2,840 21,845 1,846 6,850 4,862 4.5,864 1,865 1,869 10.5,870 7.4,871 4.694,872 2.933,874 1.422,875 1.211,876 0.921,877 4.5,878 8.147,879 3.367,880 3.795,881 4.171,882 4.626,883 5.032,884 5.056,885 5.338,886 5.586,887 5.716,888 5.809,889 1,890 26,891 7.809,893 3.332,894 7.675,895 15.518,897 13.598,899 2.175,900 45.667,901 0.001,904 258.964,905 75.302,906 16.786,908 67.828,911 75.302,912 326.793,913 16.786,915 15.207,916 37.905,917 109.066,918 21.28,920 235.422,922 258.964,923 92.088,924 67.828,927 258.964,928 67.828,931 33.302,932 23.048,933 35.738,935 258.964,936 84.614,937 75.302,940 258.964,941 19.303,942 56,944 84.614,945 258.964,946 84.614,947 75.302,949 0.565,950 0.314,951 0.179,952 0.097,953 15,954 6,955 0.13,956 6,957 2,958 1.231,959 3.454,960 156.465,961 0.308,962 12,963 92.239,968 14.469,969 6.532,970 3.241,972 84.614,973 8.143,974 4.293,978 1.397,980 42.683,981 418.881,982 28,987 10.519,989 4.248,991 -0.715,994 43.476,995 49.484,996 0.246,997 0.585,998 0.809,999 0.925,1000 0.95,1001 0.95,1002 4.6,1003 1,1004 5.493,1005 2.828,1006 4.143,1007 4.477,1008 2.258,1009 6.301,1010 4.129,1011 5.728,1012 0.795,1013 7.036,1014 2.136,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.981,1021 0.61,1022 8.692,1023 1.773,1024 5.7,1025 6.344,1026 3.628,1027 10.411,1028 5.683,1029 8.265,1030 0.056,1031 10.421,1032 1.491,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.585,1039 -0.448,1040 12.201,1041 0.139,1042 7.613,1043 8.503,1044 5.201,1045 14.999,1046 7.596,1047 10.931,1048 -0.872,1049 14.018,1050 -1.062,1051 8.447,1052 9.14,1053 5.889,1054 17.262,1055 8.44,1056 12.299,1057 -1,1058 15.863,1059 -2,1060 9.753,1061 10.825,1062 6.849,1063 19.8,1064 9.74,1065 3.291,1066 -1,1067 17.728,1068 -2.047,1069 10.793,1070 11.688,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.608,1077 -2.347,1078 12.019,1079 13.242,1080 8.526,1081 24.682,1082 12.008,1083 2.236,1084 7.759,1085 21.501,1086 3.636,1087 13.148,1088 14.244,1089 9.342,1090 27.121,1091 13.14,1092 2.013,1093 6.194,1094 23.403,1095 3.02,1096 14.347,1097 15.715,1098 10.216,1099 29.594,1100 14.338,1101 1.751,1102 5.184,1103 25.312,1104 2.721,1105 15.512,1106 16.809,1107 11.051,1108 32.05,1109 15.504,1110 1.547,1111 4.725,1112 27.227,1113 2.262,1114 16.703,1115 18.224,1116 11.912,1117 34.518,1118 16.695,1119 1.224,1120 3.277,1121 29.147,1122 2.143,1123 17.883,1124 19.381,1125 12.755,1126 36.98,1127 17.875,1128 4431,1129 6954,1130 15.603,1131 28.29,1132 34.384,1133 34.776,1134 34.664,1135 33.988,1136 33.968,1137 40.288,1138 4.682,1139 94.541,1140 33.669,1141 5.353,1142 5.597,1143 6.746,1144 5.327,1145 5.291,1146 6.636,1147 3.925,1148 18.961,1149 5.29,1150 8.527,1151 1.495,1152 1.512,1153 1.507,1154 1.478,1155 1.477,1156 1.752,1157 0.204,1158 4.11,1159 1.464,1160 4.077,1161 4.117,1162 3.986,1163 4.004,1164 7.474,1165 3.994,1166 3.783,1167 3.83,1168 3.701,1169 3.678,1170 6.351,1171 3.678,1172 3.724,1173 3.768,1174 3.609,1175 3.603,1176 4.897,1177 3.594,1178 3.445,1179 3.481,1180 3.334,1181 3.264,1182 4.445,1183 3.269,1184 3.122,1185 3.177,1186 2.963,1187 2.957,1188 4.272,1189 2.95,1190 2.972,1191 3.034,1192 2.812,1193 2.808,1194 3.82,1195 2.802,1196 2.831,1197 2.928,1198 2.621,1199 2.635,1200 3.688,1201 2.609,1202 2.759,1203 2.846,1204 2.571,1205 2.555,1206 3.616,1207 2.553,1208 0.189,1209 0.156,1210 0.302,1211 0.187,1212 0.143,1213 4.353,1214 0.158,1215 3.597,1216 0.102,1217 6.944,1218 0.512,1219 4.291,1220 0.143,1221 3.291,1222 3.636,1223 2.341,1224 11.766,1225 3.29,1226 1.928,1227 1.893,1228 2.073,1229 2.032,1230 1.484,1231 2.047,1232 1.759,1233 1.715,1234 1.938,1235 1.898,1236 1.241,1237 1.913,1238 1.641,1239 1.592,1240 1.853,1241 1.804,1242 1.15,1243 1.821,1244 1.53,1245 1.475,1246 1.767,1247 1.684,1248 0.997,1249 1.715,1250 1.364,1251 1.315,1252 1.628,1253 1.573,1254 0.866,1255 1.588,1256 1.101,1257 1.048,1258 1.358,1259 1.328,1260 0.551,1261 1.334,1262 0.85,1263 0.793,1264 1.15,1265 1.11,1266 0.287,1267 1.126,1268 0.717,1269 0.636,1270 1.022,1271 0.984,1272 0.106,1273 1.004,1274 3.85,1276 5.142,1277 3.045,1278 6.635,1279 5.416,1280 8.235,1281 7.535,1282 9.904,1289 8.66,1290 6.068,1294 3.052,1300 26.246,1301 59.114,1302 140.441,1303 194.441,1304 222.215,1305 228.215,1306 228.215,1307 35.162,1308 6.725,1309 50.19,1310 50.19,1311 16,1312 12.323,1313 3.17,1314 2.585,1315 32.272,1316 67,1317 79,1318 0.23,1319 161.402,1320 287.36,1321 385.581,1322 6573,1324 14.656,1325 0.698,1326 0.587,1327 14.656,1328 12.319,1329 10.254,1330 0.446,1331 0.349,1332 7.975,1333 10.03,1334 7.821,1335 6.444,1336 10.254,1337 8.021,1338 9.004,1339 0.29,1340 0.208,1341 9.004,1342 6.449,1343 7.171,1344 0.175,1345 0.128,1346 7.171,1347 5.257,1348 6.246,1349 0.11,1350 0.078,1351 6.246,1352 4.42,1353 4.826,1354 0.071,1355 0.046,1356 4.826,1357 3.095,1358 0.36,1359 63.179,1360 0.253,1361 21.016,1362 0.632,1363 108,1364 255.53,1365 113.816,1366 249.164,1367 331.23,1368 232,1369 126,1370 230.779,1371 130.157,1372 235.021,1373 337.81,1374 222,1375 7.538} {0 CHEMBL51158,1 1.325,2 10.273,3 3.788,4 14.346,5 87.723,6 6.371,7 0.25,8 3.909,9 4.033,10 3.337,11 3.48,12 4.871,13 3.416,14 4.513,15 4.695,16 3.671,17 3.937,18 5.454,19 3.824,20 4.865,21 5.123,22 3.575,23 4.063,24 5.583,25 3.881,26 4.858,27 5.143,28 3.546,29 4.01,30 5.56,31 3.828,32 4.79,33 5.056,34 3.531,35 3.967,36 5.589,37 3.794,38 4.752,39 5.044,40 3.352,41 3.86,42 5.505,43 3.665,44 4.586,45 4.878,46 3.119,47 3.68,48 5.279,49 3.469,50 4.445,51 4.738,52 2.985,53 3.509,54 5.153,55 3.307,56 0.048,57 0.632,58 11.147,59 5.031,60 8.241,61 6.841,62 0.196,63 1.095,64 20.596,65 8.922,66 35.479,67 12.465,68 0.208,69 1.399,70 29.331,71 11.956,72 33.223,73 17.022,74 0.218,75 1.36,76 29.123,77 11.569,78 33.126,79 16.689,80 0.2,81 1.304,82 27.297,83 10.666,84 36.003,85 15.438,86 0.209,87 1.231,88 26.271,89 9.87,90 35.637,91 14.59,92 0.162,93 1.018,94 22.121,95 8.622,96 24.756,97 12.561,98 0.167,99 0.857,100 19.333,101 7.383,102 26.407,103 10.644,104 12,105 32,106 0.23,107 0.543,108 0.765,109 0.891,110 0.913,111 0.913,112 3.146,113 1.065,114 -4.63,115 -4.55,116 -4.28,118 40.4,120 7,121 4,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 5,215 1,218 15,219 1,222 3,227 1,229 11,230 1,234 2,239 1,242 9,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 3,268 4,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 13.911,277 11.276,278 9.352,279 15.174,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.232,286 7.775,287 4.508,288 12.008,289 4.23,290 2.427,291 1.155,292 0.426,293 0.298,294 0.298,295 3.828,298 1,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 16.524,315 1,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 46.5,326 226,327 4.353,328 3.596,329 6.944,330 4.291,331 3.291,332 3.636,333 2.341,334 11.766,335 3.29,336 3.752,337 3.407,338 5.771,339 3.453,340 2.461,341 3.02,343 7.759,344 2.442,345 3.552,346 2.574,347 5.217,348 3.242,349 2.236,350 2.712,352 6.194,353 2.224,354 3.224,355 2.206,356 4.685,357 3.02,358 2.021,359 2.293,361 5.184,362 2.019,363 3.017,364 1.925,365 4.659,366 2.751,367 1.763,368 2.146,370 4.727,371 1.741,372 2.874,373 1.764,374 3.807,375 2.632,376 1.64,377 1.878,379 3.45,380 1.623,381 2.5,382 1.453,383 3.606,384 2.252,385 1.268,386 1.5,388 2.9,389 1.245,390 2.492,391 1.181,392 3.304,393 1.999,394 1,395 1.488,397 2.162,398 0.995,399 2.237,400 1,401 3.254,402 1.955,403 1,404 1.149,406 2.136,407 0.953,408 1.668,409 0.912,410 3.247,411 1.648,412 0.648,413 0.656,415 1.594,416 0.648,417 1.437,418 0.63,419 2.872,420 1.333,421 0.333,422 0.354,424 0.77,425 0.331,426 1.034,427 0.416,428 2.426,429 0.813,430 -0.185,431 -0.206,433 -0.454,434 -0.183,435 0.667,436 0.007,437 2.259,438 0.336,439 -0.661,440 -0.75,442 -1.49,443 -0.647,444 0.5,445 -0.321,446 2.104,447 0.064,448 -0.926,449 -1.108,451 -2,452 -0.893,453 0.442,454 -0.81,455 1.863,456 -0.017,457 -1,458 -1.285,460 -2.232,461 -0.973,462 10.567,463 0.48,464 0.418,465 0.019,466 21.5,467 0.977,468 8.5,469 0.386,470 13,471 0.591,472 22.08,473 1.004,474 24.833,475 0.528,476 11.884,477 0.54,478 3.478,479 0.158,480 7.276,481 0.331,482 0.063,484 0.284,487 0.736,488 1.19,489 0.949,490 1.124,491 0.66,492 1.071,493 0.422,494 1.212,495 1.045,496 1.22,497 0.347,498 1.201,499 0.701,500 1.091,501 1.061,502 1.118,503 0.699,504 1.13,505 0.622,506 0.905,507 0.882,508 0.917,509 0.614,510 0.927,511 0.708,512 1.086,513 0.997,514 1.054,515 0.668,516 1.056,517 0.651,518 0.959,519 0.974,520 0.967,521 0.525,522 0.991,523 0.602,524 1.002,525 0.979,526 1.035,527 0.56,528 1.044,529 0.836,530 0.933,531 0.951,532 0.955,533 0.862,534 0.967,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 12475,547 2.097,548 53.2,549 16,550 4,552 2,553 1,554 2,558 1.642,559 2,560 3.291,561 -0.399,563 1,567 62.259,568 1.325,569 3.127,570 4.4,571 5.129,572 5.257,573 5.257,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 261.066,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.67,600 1,601 1.936,602 102.821,603 -0.037,604 0.023,605 0.033,606 0.061,607 0.005,608 0.053,609 0.166,610 -0.082,611 -0.09,612 -0.107,613 0.211,614 -0.123,615 -0.049,616 -0.102,617 -0.121,618 -0.1,619 -0.038,620 -0.117,621 -0.003,622 0.056,623 0.053,624 0.069,625 -0.019,626 0.068,627 -0.029,628 -0.089,629 -0.05,630 -0.058,631 -0.024,632 -0.059,633 -0.029,634 0.026,635 -0.034,636 -0.011,637 0.005,638 -0.018,639 -0.005,640 -0.05,641 -0.048,642 -0.067,643 -0.007,644 -0.062,645 -0.028,646 -0.011,647 -0.001,648 0.002,649 -0.054,650 0.002,651 2.363,652 3.498,653 0.591,654 20.405,655 0.986,656 1.126,657 3.399,658 11.553,659 0.639,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.591,672 299.45,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2.1,693 1,699 4,700 1,704 1,706 6,724 47,726 8,728 24,730 49,731 19,733 5,739 3,740 4,748 3,749 4,751 7,753 8,754 11,755 4,756 2,761 1,763 2,765 1,769 1,772 25,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,822 2,830 1,832 2,840 22,845 1,846 7,850 4,862 4.3,864 1,865 1,869 11,870 7.9,871 4.944,872 3.183,874 1.431,875 1.21,876 0.919,877 5.047,878 8.23,879 3.401,880 3.818,881 4.186,882 4.636,883 5.025,884 5.069,885 5.348,886 5.578,887 5.703,888 5.797,889 0.857,890 27,891 8.186,893 3.473,894 7.644,895 16.335,897 14.264,899 2.144,900 47.167,901 0.001,903 1,904 282.506,905 77.837,906 16.786,908 67.828,911 77.837,912 350.335,913 16.786,915 17.742,916 37.905,917 109.066,918 21.28,920 258.964,922 282.506,923 94.623,924 67.828,927 282.506,928 67.828,931 35.837,932 23.048,933 35.738,935 282.506,936 84.614,937 77.837,940 282.506,941 21.837,942 56,944 84.614,945 282.506,946 84.614,947 77.837,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.143,956 7,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.429,969 7.196,970 3.665,972 84.614,973 8.199,974 4.311,978 1.416,980 42.683,981 444.957,982 29,987 10.498,989 4.464,991 -0.696,994 46.36,995 52.9,996 0.238,997 0.563,998 0.792,999 0.923,1000 0.946,1001 0.946,1002 4.63,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.5,1008 2.258,1009 6.315,1010 4.161,1011 5.75,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.999,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.355,1026 3.628,1027 10.414,1028 5.703,1029 8.278,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.595,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.507,1044 5.201,1045 15,1046 7.606,1047 10.938,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.14,1053 5.889,1054 17.262,1055 8.44,1056 12.304,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.826,1062 6.849,1063 19.8,1064 9.744,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.687,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.242,1080 8.526,1081 24.682,1082 12.01,1083 2.236,1084 7.759,1085 21.501,1086 3.636,1087 13.148,1088 14.244,1089 9.342,1090 27.121,1091 13.14,1092 2.021,1093 6.194,1094 23.403,1095 3.02,1096 14.347,1097 15.715,1098 10.216,1099 29.594,1100 14.338,1101 1.763,1102 5.184,1103 25.312,1104 2.712,1105 15.512,1106 16.809,1107 11.051,1108 32.05,1109 15.504,1110 1.64,1111 4.727,1112 27.228,1113 2.293,1114 16.704,1115 18.224,1116 11.912,1117 34.518,1118 16.695,1119 1.268,1120 3.45,1121 29.147,1122 2.146,1123 17.883,1124 19.38,1125 12.755,1126 36.98,1127 17.875,1128 5201,1129 8037,1130 16.296,1131 30.052,1132 35.628,1133 36.149,1134 36.065,1135 35.336,1136 35.322,1137 41.665,1138 4.682,1139 97.285,1140 35.022,1141 5.353,1142 5.596,1143 6.768,1144 5.327,1145 5.291,1146 6.636,1147 3.925,1148 18.961,1149 5.29,1150 8.903,1151 1.485,1152 1.506,1153 1.503,1154 1.472,1155 1.472,1156 1.736,1157 0.195,1158 4.054,1159 1.459,1160 4.077,1161 4.117,1162 3.986,1163 4.004,1164 7.474,1165 3.994,1166 3.784,1167 3.831,1168 3.701,1169 3.68,1170 6.351,1171 3.679,1172 3.747,1173 3.796,1174 3.622,1175 3.628,1176 4.897,1177 3.616,1178 3.513,1179 3.552,1180 3.403,1181 3.352,1182 4.45,1183 3.353,1184 3.205,1185 3.257,1186 3.042,1187 3.017,1188 4.28,1189 3.014,1190 3.024,1191 3.088,1192 2.869,1193 2.871,1194 3.824,1195 2.863,1196 2.868,1197 2.947,1198 2.669,1199 2.678,1200 3.814,1201 2.665,1202 2.791,1203 2.88,1204 2.619,1205 2.6,1206 3.651,1207 2.584,1208 0.181,1209 0.15,1210 0.289,1211 0.179,1212 0.137,1213 4.353,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.291,1220 0.137,1221 3.291,1222 3.636,1223 2.341,1224 11.766,1225 3.29,1226 1.928,1227 1.893,1228 2.075,1229 2.032,1230 1.484,1231 2.047,1232 1.773,1233 1.727,1234 1.967,1235 1.915,1236 1.261,1237 1.933,1238 1.666,1239 1.616,1240 1.872,1241 1.824,1242 1.224,1243 1.842,1244 1.537,1245 1.481,1246 1.774,1247 1.693,1248 1.01,1249 1.723,1250 1.437,1251 1.388,1252 1.685,1253 1.624,1254 0.897,1255 1.642,1256 1.174,1257 1.116,1258 1.452,1259 1.41,1260 0.671,1261 1.421,1262 0.953,1263 0.899,1264 1.245,1265 1.194,1266 0.454,1267 1.21,1268 0.758,1269 0.688,1270 1.062,1271 1.003,1272 0.159,1273 1.029,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.645,1290 7.183,1294 3.147,1300 27.773,1301 62.259,1302 146.987,1303 206.801,1304 241.066,1305 247.066,1306 247.066,1307 38.05,1308 6.799,1309 50.19,1310 50.19,1311 16,1312 12.332,1313 3.17,1314 2.585,1315 34.671,1316 76,1317 90,1318 0.216,1319 170.995,1320 304.66,1321 408.987,1322 7413,1324 15.364,1325 0.698,1326 0.592,1327 15.364,1328 13.026,1329 10.754,1330 0.448,1331 0.355,1332 8.475,1333 10.53,1334 8.311,1335 6.86,1336 10.754,1337 8.521,1338 9.358,1339 0.292,1340 0.213,1341 9.358,1342 6.802,1343 7.421,1344 0.177,1345 0.131,1346 7.421,1347 5.494,1348 6.423,1349 0.111,1350 0.079,1351 6.423,1352 4.584,1353 4.951,1354 0.072,1355 0.046,1356 4.951,1357 3.194,1358 0.342,1359 66.179,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 259.53,1365 117.816,1366 253.326,1367 336.99,1368 236,1369 130,1370 234.779,1371 134.157,1372 239.182,1373 343.55,1374 226,1375 7.268} {0 CHEMBL51367,1 1.476,2 13.138,3 3.074,4 9.452,5 110.559,6 6.632,7 0.367,8 4.172,9 4.291,10 3.617,11 3.604,12 5.23,13 3.58,14 4.741,15 4.929,16 3.907,17 3.968,18 5.768,19 3.917,20 4.969,21 5.172,22 3.919,23 4.114,24 5.948,25 4.011,26 5.154,27 5.415,28 3.781,29 4.097,30 6.061,31 3.959,32 5.037,33 5.308,34 3.743,35 4.013,36 5.844,37 3.877,38 4.964,39 5.224,40 3.745,41 3.967,42 5.82,43 3.844,44 4.933,45 5.187,46 3.724,47 3.959,48 5.836,49 3.838,50 4.882,51 5.139,52 3.726,53 4.003,54 5.666,55 3.881,56 0.028,57 0.806,58 14.441,59 5.842,60 12.538,61 7.948,62 0.449,63 1.226,64 27.025,65 9.079,66 57.975,67 12.71,68 0.462,69 1.445,70 33.818,71 11.783,72 49.509,73 16.588,74 0.75,75 1.508,76 42.016,77 12.545,78 95.207,79 18.373,80 0.549,81 1.383,82 36.903,83 11.434,84 60.634,85 16.962,86 0.592,87 1.32,88 34.329,89 10.507,90 57.798,91 15.651,92 0.693,93 1.297,94 33.401,95 10.2,96 71.183,97 15.139,98 0.407,99 1.338,100 31.016,101 10.135,102 42.807,103 15.141,104 36,105 39,106 0.242,107 0.573,108 0.806,109 0.854,110 0.854,111 0.854,112 3.407,113 0.992,114 -3.17,115 -3.16,116 -3.04,118 36.1,119 2,120 3,122 1,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 5,175 1,177 1,180 9,181 3,185 2,186 8,191 3,194 5,195 1,197 1,198 5,203 1,206 2,207 1,209 1,210 5,215 1,221 2,222 7,223 1,233 1,234 7,237 1,242 1,247 6,255 3,258 1,259 7,260 2,267 5,270 1827,271 19.223,272 19.223,273 19.223,274 19.223,275 19.223,276 17.709,277 23.319,278 11.643,279 19.841,280 14.722,281 14.722,282 14.722,283 14.722,284 14.722,285 12.48,286 26.233,287 5.441,288 15.598,289 4.454,290 2.434,291 1.013,292 0.726,293 0.726,294 0.726,295 4.071,299 1,300 1,301 772,302 4.848,305 105.132,306 122.295,313 2.024,314 29.994,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 64,326 381,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.635,333 2.341,334 11.924,335 3.327,336 4.035,337 3.016,338 5.584,339 3.632,340 2.687,341 3.522,342 1.151,343 7.703,344 2.582,345 3.956,346 2.907,347 5.479,348 3.586,349 2.641,350 3.49,351 0.86,352 7.335,353 2.45,354 3.496,355 2.66,356 5.113,357 3.19,358 2.278,359 2.767,360 0.86,361 6.29,362 2.078,363 3.381,364 2.577,365 5.042,366 3.109,367 2.17,368 2.434,370 6.115,371 2.019,372 2.878,373 2.489,374 4.404,375 2.67,376 1.686,377 1.852,379 3.634,380 1.65,381 2.625,382 1.965,383 3.683,384 2.366,385 1.378,386 1.638,388 3.091,389 1.336,390 2.547,391 1.639,392 3.501,393 2.142,394 1.249,395 1.538,397 2.706,398 1.111,399 2.5,400 1.276,401 3.414,402 2,403 1.09,404 1.5,406 2.379,407 1,408 2.216,409 1.156,410 3.347,411 1.979,412 1,413 1.196,415 2.275,416 0.957,417 2.118,418 1,419 3.071,420 1.658,421 0.724,422 0.927,424 1.559,425 0.668,426 1.783,427 0.973,428 3,429 1.554,430 0.618,431 0.753,433 1.372,434 0.577,435 1.65,436 0.618,437 2.8,438 1.401,439 0.529,440 0.578,442 0.867,443 0.456,444 1.089,445 0.473,446 2.616,447 0.888,448 -0.03,449 -0.032,451 -0.062,452 -0.027,453 0.935,454 0.43,455 2.505,456 0.806,457 -0.131,458 -0.139,460 -0.315,461 -0.122,462 13.467,463 0.464,464 0.683,465 0.024,466 30.25,467 1.043,468 12,469 0.414,470 18.25,471 0.629,472 29.096,473 1.003,474 34.533,475 0.566,476 22.521,477 0.777,478 6.026,479 0.208,480 7.877,481 0.272,482 0.161,483 0.037,484 0.178,487 0.862,488 1.581,489 0.909,490 1.408,491 0.765,492 1.2,493 1.155,494 1.001,495 1.011,496 0.979,497 0.634,498 0.963,499 0.992,500 1.275,501 1.143,502 1.328,503 0.838,504 1.277,505 1.292,506 0.9,507 1.098,508 0.935,509 1.558,510 0.98,511 1.005,512 0.932,513 0.93,514 0.938,515 0.789,516 0.926,517 0.962,518 0.961,519 0.956,520 0.964,521 0.786,522 0.958,523 1.023,524 0.929,525 0.993,526 0.89,527 0.784,528 0.931,529 0.878,530 0.943,531 0.959,532 0.899,533 0.552,534 0.931,535 6.5,536 0.231,537 2.889,538 1.097,539 0.737,540 0.591,541 0.294,542 0.297,543 0.288,544 0.235,545 11385,546 31188,547 1.949,548 52.5,549 10,550 16,551 1,552 2,553 1,555 2,558 1.719,559 1.822,560 3.653,561 -0.336,563 1,567 90.058,568 1.476,569 3.497,570 4.918,571 5.205,572 5.205,573 5.205,574 3.112,575 4.073,576 4.828,577 3.874,578 1572.93,579 8.41,580 23656.7,582 1,585 361.775,586 1.469,587 4.777,588 0.217,589 0.007,590 0.074,591 0.03,592 0.025,593 0.02,594 0.01,595 0.01,596 0.009,597 0.007,598 0.409,599 0.33,600 0.88,601 1.876,602 152.159,603 -0.031,604 -0.259,605 0.046,606 -0.149,607 -0.046,608 -0.054,609 -0.052,610 0.136,611 -0.003,612 0.093,613 0.118,614 0.061,615 0.002,616 -0.204,617 -0.165,618 -0.249,619 0.009,620 -0.241,621 -0.139,622 0.007,623 -0.089,624 0.003,625 -0.199,626 -0.031,627 -0.037,628 -0.01,629 0.049,630 0.015,631 -0.03,632 0.043,633 0.025,634 -0.001,635 0.03,636 -0.006,637 -0.001,638 0.012,639 0.017,640 0.034,641 0.001,642 0.074,643 0.033,644 0.039,645 -0.094,646 0.093,647 -0.005,648 0.103,649 -0.048,650 0.073,651 2.427,652 4.178,653 0.379,654 33.241,655 1.002,656 1.136,657 1.939,658 3.76,659 0.618,660 3.434,661 3.689,662 3.807,663 3.829,664 3.871,665 3.871,666 3.871,667 3.892,668 3.97,669 4.043,670 7.988,671 0.582,672 404.56,673 3.434,674 4.934,675 5.72,676 6.541,677 7.343,678 8.163,679 8.969,680 9.789,681 10.596,682 11.416,683 3.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 61,726 12,727 1,728 30,730 62,731 22,733 9,734 2,735 4,739 2,740 2,745 2,746 1,751 4,753 10,754 12,756 1,761 1,765 1,769 1,772 32,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 3,840 29,845 1,846 7,848 3,850 1,852 1,862 8.2,864 1,865 1,866 2,867 1,869 15.917,870 11.433,871 6.625,872 3.535,874 1.445,875 1.219,876 0.878,877 9.649,878 8.055,879 3.624,880 4.073,881 4.438,882 4.757,883 4.959,884 4.905,885 4.924,886 4.891,887 5.075,888 5.319,889 0.889,890 36,891 10.746,893 4.32,894 7.796,895 20.545,897 15.993,899 2.296,900 66.583,903 1,904 364.904,905 125.977,906 18.685,908 100.828,911 125.977,912 465.732,913 18.685,914 28.533,915 23.486,916 46.952,917 139.684,918 30.375,919 11.771,920 329.591,922 364.904,923 144.662,924 100.828,927 341.362,928 102.37,929 22,931 60.702,932 67.174,933 16.786,935 364.904,936 119.513,937 125.977,940 364.904,941 32.825,942 95.051,944 117.613,945 364.904,946 119.513,947 125.977,949 0.569,950 0.317,951 0.137,952 0.064,953 14,954 7,955 0.226,956 14,958 1,959 4.185,960 217.572,962 11,963 134.881,968 23.396,969 11.959,970 8.563,972 117.613,973 13.185,974 4.072,978 1.893,979 1.967,980 42.683,981 610.394,982 36.5,987 11.178,991 -0.761,994 61.094,995 69.272,996 0.249,997 0.59,998 0.829,999 0.878,1000 0.878,1001 0.878,1002 4.834,1003 1.249,1004 5.7,1005 3.091,1006 4.369,1007 4.758,1008 2.719,1009 6.441,1010 4.269,1011 5.992,1012 1.09,1013 7.235,1014 2.706,1015 4.007,1016 4.425,1017 2.243,1018 7.588,1019 3.927,1020 7.267,1021 1,1022 8.892,1023 2.379,1024 5.958,1025 6.751,1026 3.769,1027 10.49,1028 5.803,1029 8.579,1030 0.724,1031 10.63,1032 2.275,1033 6.463,1034 7.232,1035 4.112,1036 12.533,1037 6.347,1038 9.927,1039 0.618,1040 12.426,1041 1.559,1042 7.892,1043 9.028,1044 5.235,1045 15.077,1046 7.733,1047 11.297,1048 0.529,1049 14.265,1050 1.372,1051 8.775,1052 9.862,1053 5.889,1054 17.42,1055 8.655,1056 12.686,1057 -0.03,1058 16.135,1059 0.867,1060 10.027,1061 11.431,1062 6.856,1063 19.901,1064 9.891,1065 3.331,1066 -0.131,1067 18.03,1068 -0.062,1069 11.078,1070 12.442,1071 7.625,1072 22.337,1073 10.973,1074 2.687,1075 11.924,1076 19.943,1077 -0.315,1078 12.275,1079 13.896,1080 8.527,1081 24.812,1082 12.169,1083 2.641,1084 7.703,1085 21.871,1086 3.635,1087 13.403,1088 15.004,1089 9.342,1090 27.277,1091 13.317,1092 2.278,1093 7.335,1094 23.81,1095 3.522,1096 14.588,1097 16.393,1098 10.216,1099 29.753,1100 14.507,1101 2.17,1102 6.29,1103 25.758,1104 3.49,1105 15.751,1106 17.559,1107 11.051,1108 32.226,1109 15.683,1110 1.686,1111 6.115,1112 27.713,1113 2.767,1114 16.938,1115 18.908,1116 11.912,1117 34.704,1118 16.876,1119 1.378,1120 3.634,1121 29.672,1122 2.434,1123 18.119,1124 20.11,1125 12.755,1126 37.18,1127 18.065,1128 11487,1129 19100,1130 19.356,1131 37.705,1132 43.549,1133 44.135,1134 43.721,1135 42.707,1136 42.759,1137 51.66,1138 10.423,1139 114.499,1140 40.423,1141 5.373,1142 5.979,1143 6.953,1144 5.411,1145 5.331,1146 6.635,1147 3.925,1148 18.454,1149 5.327,1150 16.639,1151 1.452,1152 1.471,1153 1.457,1154 1.424,1155 1.425,1156 1.722,1157 0.347,1158 3.817,1159 1.347,1160 3.965,1161 4.018,1162 3.895,1163 3.855,1164 7.474,1165 3.855,1166 3.903,1167 3.937,1168 3.842,1169 3.739,1170 6.351,1171 3.755,1172 3.834,1173 3.877,1174 3.727,1175 3.694,1176 4.962,1177 3.699,1178 3.618,1179 3.657,1180 3.504,1181 3.416,1182 4.876,1183 3.426,1184 3.466,1185 3.519,1186 3.316,1187 3.281,1188 4.646,1189 3.279,1190 3.297,1191 3.351,1192 3.148,1193 3.065,1194 4.46,1195 3.077,1196 3.096,1197 3.164,1198 2.93,1199 2.828,1200 4.262,1201 2.822,1202 3.042,1203 3.068,1204 2.862,1205 2.751,1206 4.196,1207 2.748,1208 0.147,1209 0.133,1210 0.24,1211 0.144,1212 0.111,1213 4.406,1214 0.121,1215 3.979,1216 0.078,1217 7.206,1218 0.397,1219 4.332,1220 0.111,1221 3.331,1222 3.635,1223 2.341,1224 11.924,1225 3.327,1226 1.9,1227 1.878,1228 2.036,1229 2.009,1230 1.367,1231 2.012,1232 1.821,1233 1.777,1234 2.015,1235 1.98,1236 1.197,1237 1.996,1238 1.693,1239 1.642,1240 1.885,1241 1.915,1242 1.125,1243 1.908,1244 1.517,1245 1.455,1246 1.784,1247 1.729,1248 1.045,1249 1.747,1250 1.354,1251 1.303,1252 1.596,1253 1.615,1254 0.701,1255 1.605,1256 1.281,1257 1.219,1258 1.545,1259 1.527,1260 0.626,1261 1.529,1262 1.203,1263 1.132,1264 1.453,1265 1.497,1266 0.598,1267 1.498,1268 1.047,1269 0.967,1270 1.417,1271 1.33,1272 0.517,1273 1.352,1274 4.111,1276 5.38,1277 2.398,1278 6.817,1279 4.443,1280 8.326,1281 6.26,1282 9.872,1284 5.155,1289 9.187,1290 4.445,1292 17.06,1294 -0.102,1296 -0.697,1300 35.519,1301 90.058,1302 213.33,1303 300.001,1304 317.51,1305 317.51,1306 317.51,1307 78.874,1308 6.609,1309 82.81,1310 82.81,1311 11,1312 12,1313 3.7,1314 2.907,1315 65.511,1316 131,1317 149,1318 0.221,1319 223.021,1320 392.75,1321 535.93,1322 6035,1324 21.115,1325 0.728,1326 0.605,1327 21.115,1328 17.543,1329 13.903,1330 0.463,1331 0.331,1332 9.728,1333 13.167,1334 9.385,1335 7.864,1336 13.903,1337 9.919,1338 12.221,1339 0.313,1340 0.199,1341 12.221,1342 7.762,1343 9.406,1344 0.214,1345 0.11,1346 9.406,1347 4.834,1348 6.2,1349 0.138,1350 0.063,1351 6.2,1352 2.839,1353 4.269,1354 0.091,1355 0.037,1356 4.269,1357 1.75,1358 0.359,1359 88.709,1360 0.227,1361 28.422,1362 0.574,1363 138,1364 448.382,1365 155.253,1366 412.961,1367 537.44,1368 386,1369 152,1370 361.324,1371 169.646,1372 366.707,1373 520.28,1374 337,1375 6.377} {0 CHEMBL51526,1 1.307,2 10.273,3 4.232,4 17.912,5 86.607,6 6.152,7 0.25,8 3.946,9 4.075,10 3.343,11 3.503,12 4.862,13 3.433,14 4.572,15 4.763,16 3.68,17 3.972,18 5.463,19 3.849,20 4.939,21 5.209,22 3.585,23 4.106,24 5.604,25 3.912,26 4.94,27 5.234,28 3.559,29 4.062,30 5.578,31 3.866,32 4.898,33 5.175,34 3.552,35 4.041,36 5.594,37 3.851,38 4.896,39 5.197,40 3.385,41 3.955,42 5.577,43 3.741,44 4.739,45 5.045,46 3.151,47 3.766,48 5.408,49 3.539,50 4.538,51 4.844,52 3.001,53 3.564,54 5.215,55 3.348,56 0.053,57 0.665,58 11.976,59 5.325,60 7.664,61 7.332,62 0.208,63 1.157,64 22.229,65 9.504,66 33.623,67 13.407,68 0.222,69 1.471,70 31.339,71 12.643,72 29.277,73 18.182,74 0.23,75 1.436,76 31.146,77 12.295,78 29.033,79 17.886,80 0.217,81 1.415,82 30.123,83 11.699,84 27.599,85 17.115,86 0.257,87 1.359,88 29.994,89 11.074,90 32.265,91 16.473,92 0.218,93 1.128,94 25.479,95 9.535,96 28.319,97 14.056,98 0.184,99 0.91,100 20.837,101 7.783,102 25.347,103 11.401,104 12,105 32,106 0.226,107 0.481,108 0.674,109 0.833,110 0.894,111 0.908,112 3.146,113 1.109,114 -4.71,115 -4.63,116 -4.35,118 38.8,120 9,121 4,140 2,141 1,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 18,195 1,198 3,203 1,206 17,207 1,210 5,215 1,218 15,219 1,222 3,227 1,229 11,230 1,234 2,239 1,242 9,243 1,247 2,252 1,255 7,256 2,259 3,264 2,267 3,268 4,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 14.17,277 7.993,278 9.352,279 15.174,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.583,286 4.834,287 4.508,288 12.008,289 4.308,290 2.834,291 1.72,292 0.796,293 0.449,294 0.367,295 3.828,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 15.86,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 46.5,326 226,327 4.352,328 3.596,329 6.944,330 4.291,331 3.291,332 3.635,333 2.341,334 11.766,335 3.29,336 3.75,337 3.402,338 5.771,339 3.453,340 2.461,341 3.014,343 7.759,344 2.442,345 3.55,346 2.564,347 5.217,348 3.242,349 2.236,350 2.71,352 6.194,353 2.224,354 3.054,355 2.027,356 4.685,357 3.02,358 2.021,359 2.16,361 5.184,362 2.019,363 2.977,364 1.797,365 4.659,366 2.751,367 1.763,368 2.013,370 4.727,371 1.741,372 2.716,373 1.717,374 3.807,375 2.632,376 1.64,377 1.716,379 3.45,380 1.623,381 2.5,382 1.348,383 3.606,384 2.252,385 1.268,386 1.5,388 2.9,389 1.245,390 2.49,391 1.14,392 3.304,393 1.999,394 1,395 1.486,397 2.162,398 0.995,399 2.087,400 1,401 3.254,402 1.955,403 1,404 1.056,406 2.136,407 0.953,408 1.655,409 0.728,410 3.247,411 1.648,412 0.648,413 0.65,415 1.594,416 0.648,417 1.42,418 0.611,419 2.872,420 1.333,421 0.333,422 0.349,424 0.77,425 0.331,426 0.951,427 0.334,428 2.426,429 0.813,430 -0.185,431 -0.196,433 -0.454,434 -0.183,435 0.606,436 -0.015,437 2.259,438 0.336,439 -0.661,440 -0.708,442 -1.49,443 -0.647,444 0.5,445 -0.446,446 2.104,447 0.064,448 -0.926,449 -1.105,451 -2,452 -0.893,453 0.429,454 -0.856,455 1.863,456 -0.017,457 -1,458 -1.245,460 -2.232,461 -0.973,462 10.567,463 0.48,464 0.418,465 0.019,466 20.5,467 0.932,468 7.5,469 0.341,470 13,471 0.591,472 23.736,473 1.079,474 25.433,475 0.519,476 10.228,477 0.465,478 2.935,479 0.133,480 7.819,481 0.355,482 0.063,484 0.284,487 0.739,488 1.241,489 0.99,490 1.177,491 0.649,492 1.121,493 0.419,494 1.239,495 1.062,496 1.246,497 0.321,498 1.224,499 0.675,500 1.081,501 1.038,502 1.104,503 0.656,504 1.112,505 0.597,506 0.913,507 0.878,508 0.925,509 0.569,510 0.931,511 0.666,512 1.1,513 1,514 1.074,515 0.632,516 1.073,517 0.754,518 0.956,519 0.999,520 0.968,521 0.667,522 0.997,523 0.758,524 0.943,525 0.983,526 0.973,527 0.718,528 0.995,529 0.824,530 0.905,531 0.933,532 0.924,533 0.835,534 0.938,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 11884,547 2.097,548 55.1,549 20,550 2,552 2,553 1,554 2,558 1.642,559 2,560 3.291,561 -0.399,563 1,567 64.028,568 1.307,569 2.781,570 3.895,571 4.818,572 5.166,573 5.247,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 275.121,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.5,600 1,601 1.936,602 102.821,603 -0.033,604 0.023,605 0.035,606 0.06,607 0.016,608 0.054,609 0.164,610 -0.081,611 -0.083,612 -0.103,613 0.222,614 -0.116,615 -0.038,616 -0.087,617 -0.097,618 -0.083,619 -0.021,620 -0.096,621 0.003,622 0.047,623 0.052,624 0.061,625 -0.005,626 0.062,627 -0.02,628 -0.103,629 -0.056,630 -0.074,631 -0.034,632 -0.071,633 -0.049,634 0.011,635 -0.056,636 -0.02,637 -0.043,638 -0.034,639 -0.036,640 -0.008,641 -0.047,642 -0.029,643 -0.039,644 -0.037,645 -0.026,646 0.015,647 0.009,648 0.018,649 -0.053,650 0.018,651 2.329,652 3.522,653 0.591,654 20.405,655 0.985,656 1.129,657 3.485,658 12.144,659 0.629,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.578,672 301.47,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2,693 1,699 4,700 1,704 1,706 6,724 49,726 7,728 24,730 51,731 19,733 5,739 3,740 4,748 3,749 4,751 9,753 6,754 13,755 4,756 1,761 1,765 1,769 1,772 27,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,830 1,832 2,840 22,845 1,846 9,850 4,862 4.1,864 1,865 1,869 11,870 8.233,871 4.944,872 3.489,874 1.059,875 1.156,876 0.915,877 5.254,878 7.858,879 3.367,880 3.773,881 4.139,882 4.586,883 4.964,884 4.948,885 5.213,886 5.422,887 5.499,888 5.518,889 0.857,890 27,891 8.209,893 3.486,894 7.598,895 16.554,897 14.61,899 2.098,900 46.167,901 0.001,903 1,904 306.049,905 63.954,906 16.786,908 67.828,911 63.954,912 373.877,913 16.786,915 22.811,916 18.952,917 109.066,918 21.28,920 282.506,922 306.049,923 80.739,924 67.828,927 306.049,928 67.828,931 40.906,932 23.048,933 16.786,935 306.049,936 84.614,937 63.954,940 306.049,941 26.906,942 37.047,944 84.614,945 306.049,946 84.614,947 63.954,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.157,956 8,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.679,969 7.372,970 3.776,972 84.614,973 8.28,974 4.329,978 1.45,980 42.683,981 454.616,982 28,987 10.522,991 -0.662,994 48.243,995 55.315,996 0.233,997 0.495,998 0.694,999 0.858,1000 0.92,1001 0.935,1002 4.6,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.454,1008 2.258,1009 6.315,1010 4.161,1011 5.708,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 6.955,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.298,1026 3.628,1027 10.414,1028 5.703,1029 8.233,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.553,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.463,1044 5.201,1045 15,1046 7.606,1047 10.9,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.139,1053 5.889,1054 17.262,1055 8.44,1056 12.27,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.799,1062 6.849,1063 19.8,1064 9.744,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.684,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.225,1080 8.526,1081 24.682,1082 12.01,1083 2.236,1084 7.759,1085 21.501,1086 3.635,1087 13.148,1088 14.24,1089 9.342,1090 27.121,1091 13.14,1092 2.021,1093 6.194,1094 23.403,1095 3.014,1096 14.347,1097 15.705,1098 10.216,1099 29.594,1100 14.338,1101 1.763,1102 5.184,1103 25.312,1104 2.71,1105 15.512,1106 16.805,1107 11.051,1108 32.05,1109 15.504,1110 1.64,1111 4.727,1112 27.228,1113 2.16,1114 16.704,1115 18.217,1116 11.912,1117 34.518,1118 16.695,1119 1.268,1120 3.45,1121 29.147,1122 2.013,1123 17.883,1124 19.376,1125 12.755,1126 36.98,1127 17.875,1128 5201,1129 7848,1130 16.296,1131 30.813,1132 35.434,1133 35.908,1134 36.065,1135 35.336,1136 35.322,1137 40.578,1138 4.682,1139 97.285,1140 35.022,1141 5.352,1142 5.596,1143 6.768,1144 5.327,1145 5.291,1146 6.635,1147 3.925,1148 18.961,1149 5.29,1150 8.903,1151 1.476,1152 1.496,1153 1.503,1154 1.472,1155 1.472,1156 1.691,1157 0.195,1158 4.054,1159 1.459,1160 4.078,1161 4.118,1162 3.985,1163 4.004,1164 7.474,1165 3.994,1166 3.785,1167 3.834,1168 3.699,1169 3.678,1170 6.351,1171 3.677,1172 3.753,1173 3.807,1174 3.615,1175 3.622,1176 4.897,1177 3.608,1178 3.528,1179 3.576,1180 3.389,1181 3.357,1182 4.378,1183 3.352,1184 3.236,1185 3.289,1186 3.071,1187 3.04,1188 4.11,1189 3.038,1190 3.036,1191 3.103,1192 2.875,1193 2.887,1194 3.821,1195 2.876,1196 2.883,1197 2.959,1198 2.675,1199 2.69,1200 3.785,1201 2.675,1202 2.804,1203 2.9,1204 2.619,1205 2.606,1206 3.643,1207 2.587,1208 0.181,1209 0.15,1210 0.289,1211 0.179,1212 0.137,1213 4.352,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.291,1220 0.137,1221 3.291,1222 3.635,1223 2.341,1224 11.766,1225 3.29,1226 1.929,1227 1.893,1228 2.088,1229 2.037,1230 1.512,1231 2.054,1232 1.779,1233 1.727,1234 1.991,1235 1.932,1236 1.341,1237 1.955,1238 1.673,1239 1.622,1240 1.877,1241 1.829,1242 1.231,1243 1.848,1244 1.539,1245 1.483,1246 1.78,1247 1.704,1248 1.065,1249 1.731,1250 1.455,1251 1.398,1252 1.722,1253 1.648,1254 0.96,1255 1.673,1256 1.2,1257 1.14,1258 1.492,1259 1.438,1260 0.76,1261 1.453,1262 0.985,1263 0.926,1264 1.285,1265 1.23,1266 0.525,1267 1.248,1268 0.774,1269 0.703,1270 1.098,1271 1.033,1272 0.258,1273 1.06,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.669,1290 10.21,1294 3.37,1300 28.299,1301 64.028,1302 136.258,1303 190.856,1304 236.101,1305 253.121,1306 257.121,1307 38.672,1308 6.799,1309 50.19,1310 50.19,1311 16,1312 12.332,1313 3,1314 2.322,1315 34.671,1316 76,1317 90,1318 0.216,1319 173.922,1320 307.3,1321 416.13,1322 7413,1324 15.364,1325 0.698,1326 0.604,1327 15.364,1328 13.285,1329 10.754,1330 0.448,1331 0.37,1332 8.825,1333 10.53,1334 8.664,1335 7.161,1336 10.754,1337 8.872,1338 9.358,1339 0.292,1340 0.224,1341 9.358,1342 7.156,1343 7.421,1344 0.177,1345 0.139,1346 7.421,1347 5.836,1348 6.423,1349 0.111,1350 0.085,1351 6.423,1352 4.928,1353 4.951,1354 0.072,1355 0.051,1356 4.951,1357 3.543,1358 0.342,1359 66.179,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 249.53,1365 117.816,1366 242.715,1367 323.01,1368 226,1369 130,1370 225.779,1371 134.157,1372 229.513,1373 330.35,1374 217,1375 7.268} {0 CHEMBL51618,1 1.406,2 10.273,3 2.54,4 6.449,5 84.703,6 6.698,7 0.25,8 3.884,9 3.997,10 3.354,11 3.422,12 4.889,13 3.38,14 4.482,15 4.649,16 3.698,17 3.85,18 5.492,19 3.77,20 4.797,21 5.039,22 3.578,23 3.955,24 5.594,25 3.808,26 4.754,27 5.011,28 3.564,29 3.909,30 5.551,31 3.763,32 4.728,33 4.979,34 3.549,35 3.869,36 5.604,37 3.727,38 4.662,39 4.936,40 3.357,41 3.764,42 5.467,43 3.596,44 4.522,45 4.802,46 3.121,47 3.594,48 5.269,49 3.41,50 4.369,51 4.642,52 2.994,53 3.429,54 5.142,55 3.255,56 0.031,57 0.604,58 10.405,59 4.723,60 9.205,61 6.205,62 0.202,63 1.021,64 19.775,65 8.141,66 39.985,67 11.032,68 0.307,69 1.255,70 28.142,71 10.535,72 44.608,73 14.726,74 0.241,75 1.211,76 26.817,77 10.104,78 39.877,79 14.362,80 0.301,81 1.183,82 26.294,83 9.565,84 44.917,85 13.664,86 0.227,87 1.099,88 24.566,89 8.861,90 38.031,91 12.943,92 0.215,93 0.929,94 21.437,95 7.772,96 30.977,97 11.272,98 0.202,99 0.779,100 18.472,101 6.633,102 31.853,103 9.49,104 12,105 32,106 0.247,107 0.585,108 0.796,109 0.893,110 0.917,111 0.917,112 3.146,113 1.022,114 -3.59,115 -3.56,116 -3.39,118 40,120 6,121 2,126 2,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 11,169 1,172 7,175 1,177 1,180 11,181 1,186 5,191 1,194 12,195 1,198 4,203 1,206 11,207 1,209 1,210 5,215 1,218 10,219 1,222 4,227 1,229 8,230 1,234 3,239 1,242 6,243 1,247 3,252 1,255 5,256 1,259 2,260 1,264 1,267 3,268 2,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 13.911,277 16.26,278 9.352,279 15.281,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.232,286 17.449,287 4.508,288 12.207,289 4.086,290 2.156,291 0.956,292 0.4,293 0.267,294 0.267,295 3.828,298 1,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 20.948,315 1,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 47.5,326 226,327 4.353,328 3.596,329 6.944,330 4.265,331 3.291,332 3.636,333 2.341,334 11.766,335 3.205,336 3.752,337 3.547,338 5.771,339 3.435,340 2.461,341 3.02,342 0.86,343 7.759,344 2.394,345 3.552,346 2.712,347 5.217,348 3.241,349 2.236,350 2.712,352 6.194,353 2.223,354 3.224,355 2.301,356 4.685,357 2.991,358 2.021,359 2.293,361 5.184,362 1.954,363 3.017,364 2.023,365 4.659,366 2.734,367 1.763,368 2.146,370 4.727,371 1.708,372 2.874,373 1.842,374 3.807,375 2.625,376 1.64,377 1.878,379 3.45,380 1.608,381 2.5,382 1.499,383 3.606,384 2.244,385 1.268,386 1.5,388 2.9,389 1.233,390 2.492,391 1.203,392 3.304,393 1.999,394 1,395 1.488,397 2.162,398 0.995,399 2.237,400 1,401 3.254,402 1.955,403 1,404 1.149,406 2.136,407 0.953,408 1.668,409 0.964,410 3.247,411 1.569,412 0.648,413 0.656,415 1.594,416 0.589,417 1.437,418 0.902,419 2.872,420 1.318,421 0.333,422 0.354,424 0.77,425 0.326,426 1.034,427 0.423,428 2.426,429 0.808,430 -0.185,431 -0.206,433 -0.454,434 -0.182,435 0.667,436 0.044,437 2.259,438 0.333,439 -0.661,440 -0.75,442 -1.49,443 -0.645,444 0.5,445 -0.311,446 2.104,447 0.062,448 -0.926,449 -1.108,451 -2,452 -0.891,453 0.442,454 -0.787,455 1.863,456 -0.017,457 -1,458 -1.285,460 -2.232,461 -0.973,462 10.4,463 0.473,464 0.418,465 0.019,466 22,467 1,468 8.5,469 0.386,470 13.5,471 0.614,472 20.79,473 0.945,474 25,475 0.556,476 13.174,477 0.599,478 3.901,479 0.177,480 6.853,481 0.312,482 0.064,484 0.288,487 0.776,488 1.243,489 0.885,490 1.165,491 0.691,492 1.061,493 0.739,494 1.239,495 1.024,496 1.235,497 0.449,498 1.181,499 0.999,500 1.008,501 1.079,502 1.027,503 0.817,504 1.065,505 0.766,506 0.979,507 0.932,508 0.988,509 0.683,510 0.986,511 0.837,512 1.032,513 0.991,514 1.016,515 0.704,516 1.027,517 0.705,518 0.988,519 0.961,520 0.994,521 0.55,522 1.007,523 0.757,524 0.963,525 0.993,526 0.997,527 0.625,528 1.025,529 0.909,530 0.954,531 0.999,532 0.978,533 0.93,534 1.002,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 13839,547 2.097,548 51.1,549 6,550 6,552 2,553 1,554 2,555 6,558 1.642,559 2,560 3.291,561 -0.354,562 1,563 1,565 1,567 63.278,568 1.406,569 3.336,570 4.536,571 5.092,572 5.225,573 5.225,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 247.133,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.5,600 1,601 1.936,602 102.821,603 -0.035,604 -0.028,605 0.04,606 0.017,607 -0.019,608 0.036,609 0.09,610 -0.118,611 -0.081,612 -0.139,613 0.17,614 -0.135,615 -0.113,616 -0.03,617 -0.121,618 -0.025,619 -0.079,620 -0.069,621 -0.029,622 -0.002,623 0.011,624 0.009,625 -0.029,626 0.015,627 -0.007,628 -0.041,629 -0.034,630 -0.032,631 -0.009,632 -0.039,633 -0.026,634 -0.01,635 -0.02,636 -0.028,637 0.011,638 -0.021,639 -0.041,640 -0.016,641 -0.05,642 -0.034,643 -0.026,644 -0.041,645 -0.061,646 -0.027,647 -0.039,648 -0.016,649 -0.083,650 -0.024,651 2.383,652 3.481,653 0.591,654 20.405,655 0.996,656 1.127,657 2.359,658 5.564,659 0.639,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.599,672 301.42,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2.2,693 1,699 4,700 1,704 1,706 6,724 45,726 8,728 24,730 47,731 18,733 5,739 3,740 4,748 4,749 2,751 8,753 8,754 10,755 2,756 2,761 1,763 2,765 1,768 1,769 1,772 23,773 4,774 1,775 4,779 1,784 0.667,785 3,790 2,795 1,801 2,802 2,818 1,822 2,830 1,831 1,832 2,840 22,845 1,846 6,848 1,850 4,862 6.7,864 1,865 1,866 1,869 11,870 7.567,871 4.944,872 2.961,874 1.431,875 1.21,876 0.92,877 5.016,878 8.23,879 3.401,880 3.818,881 4.186,882 4.636,883 5.025,884 5.069,885 5.348,886 5.578,887 5.703,888 5.797,889 0.857,890 27,891 8.181,893 3.484,894 7.735,895 16.053,897 13.776,899 2.235,900 49.167,901 0.001,904 258.964,905 75.302,906 16.786,908 78.828,911 75.302,912 337.792,913 16.786,915 15.207,916 37.905,917 120.066,918 21.28,920 235.422,922 258.964,923 92.088,924 78.828,927 188.338,928 138.455,929 11,931 33.302,932 23.048,933 35.738,935 258.964,936 95.614,937 75.302,940 258.964,941 19.303,942 56,944 95.614,945 258.964,946 95.614,947 75.302,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.149,956 7,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.392,969 7.17,970 3.649,972 95.614,973 7.943,974 4.255,978 1.291,980 42.683,981 429.88,982 29,987 10.481,989 4.329,991 -0.716,994 44.803,995 50.694,996 0.256,997 0.607,998 0.826,999 0.927,1000 0.951,1001 0.951,1002 4.63,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.5,1008 2.402,1009 6.315,1010 4.124,1011 5.75,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.537,1020 6.999,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.355,1026 3.657,1027 10.414,1028 5.624,1029 8.278,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 5.958,1038 9.595,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.507,1044 5.206,1045 15,1046 7.476,1047 10.938,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.14,1053 5.889,1054 17.262,1055 8.263,1056 12.304,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.826,1062 6.849,1063 19.8,1064 9.555,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.687,1071 7.625,1072 22.193,1073 10.556,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.242,1080 8.526,1081 24.682,1082 11.761,1083 2.236,1084 7.759,1085 21.501,1086 3.636,1087 13.148,1088 14.244,1089 9.342,1090 27.121,1091 12.857,1092 2.021,1093 6.194,1094 23.403,1095 3.02,1096 14.347,1097 15.715,1098 10.216,1099 29.594,1100 14.033,1101 1.763,1102 5.184,1103 25.312,1104 2.712,1105 15.512,1106 16.809,1107 11.051,1108 32.05,1109 15.168,1110 1.64,1111 4.727,1112 27.228,1113 2.293,1114 16.704,1115 18.224,1116 11.912,1117 34.518,1118 16.334,1119 1.268,1120 3.45,1121 29.147,1122 2.146,1123 17.883,1124 19.38,1125 12.755,1126 36.98,1127 17.486,1128 5201,1129 8457,1130 16.296,1131 28.745,1132 35.628,1133 36.326,1134 36.065,1135 35.302,1136 35.322,1137 41.665,1138 6.402,1139 97.285,1140 34.377,1141 5.353,1142 5.596,1143 6.768,1144 5.309,1145 5.291,1146 6.636,1147 3.925,1148 18.961,1149 5.205,1150 8.903,1151 1.485,1152 1.514,1153 1.503,1154 1.471,1155 1.472,1156 1.736,1157 0.267,1158 4.054,1159 1.432,1160 4.047,1161 4.078,1162 3.967,1163 3.944,1164 7.474,1165 3.944,1166 3.777,1167 3.823,1168 3.692,1169 3.666,1170 6.351,1171 3.664,1172 3.737,1173 3.782,1174 3.617,1175 3.601,1176 4.907,1177 3.597,1178 3.508,1179 3.545,1180 3.398,1181 3.342,1182 4.663,1183 3.344,1184 3.204,1185 3.257,1186 3.039,1187 3.016,1188 4.372,1189 3.011,1190 3.022,1191 3.083,1192 2.869,1193 2.871,1194 3.845,1195 2.863,1196 2.853,1197 2.922,1198 2.663,1199 2.646,1200 3.814,1201 2.645,1202 2.762,1203 2.848,1204 2.619,1205 2.565,1206 3.669,1207 2.564,1208 0.181,1209 0.15,1210 0.289,1211 0.178,1212 0.137,1213 4.353,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.265,1220 0.134,1221 3.291,1222 3.636,1223 2.341,1224 11.766,1225 3.205,1226 1.928,1227 1.893,1228 2.075,1229 2.032,1230 1.484,1231 2.047,1232 1.767,1233 1.722,1234 1.964,1235 1.913,1236 1.251,1237 1.931,1238 1.662,1239 1.612,1240 1.86,1241 1.82,1242 1.01,1243 1.837,1244 1.468,1245 1.419,1246 1.716,1247 1.66,1248 0.994,1249 1.676,1250 1.24,1251 1.209,1252 1.473,1253 1.505,1254 0.73,1255 1.486,1256 1.17,1257 1.112,1258 1.437,1259 1.401,1260 0.668,1261 1.412,1262 0.93,1263 0.878,1264 1.225,1265 1.188,1266 0.431,1267 1.2,1268 0.754,1269 0.681,1270 1.056,1271 0.998,1272 0.139,1273 1.023,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.628,1290 5.131,1292 6.122,1294 1.702,1300 26.961,1301 63.278,1302 150.114,1303 204.114,1304 229.133,1305 235.133,1306 235.133,1307 39.984,1308 6.799,1309 59.42,1310 59.42,1311 16,1312 12.332,1313 3.17,1314 2.585,1315 34.671,1316 76,1317 90,1318 0.216,1319 165.398,1320 296.15,1321 395.332,1322 7413,1324 15.364,1325 0.698,1326 0.579,1327 15.364,1328 12.727,1329 10.754,1330 0.448,1331 0.341,1332 8.098,1333 10.413,1334 7.973,1335 6.541,1336 10.754,1337 8.176,1338 9.358,1339 0.292,1340 0.196,1341 9.358,1342 6.259,1343 7.421,1344 0.177,1345 0.115,1346 7.421,1347 4.83,1348 6.423,1349 0.111,1350 0.066,1351 6.423,1352 3.851,1353 4.951,1354 0.072,1355 0.039,1356 4.951,1357 2.69,1358 0.342,1359 66.995,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 303.266,1365 122.023,1366 286.336,1367 380.03,1368 268,1369 130,1370 264.234,1371 138.808,1372 263.814,1373 383.55,1374 250,1375 6.301} {0 CHEMBL51802,1 1.476,2 13.138,3 3.074,4 9.452,5 110.559,6 6.632,7 0.367,8 4.172,9 4.291,10 3.617,11 3.604,12 5.23,13 3.58,14 4.741,15 4.929,16 3.907,17 3.968,18 5.768,19 3.917,20 4.969,21 5.172,22 3.919,23 4.114,24 5.948,25 4.011,26 5.154,27 5.415,28 3.781,29 4.097,30 6.061,31 3.959,32 5.037,33 5.308,34 3.743,35 4.013,36 5.844,37 3.877,38 4.964,39 5.224,40 3.745,41 3.967,42 5.82,43 3.844,44 4.933,45 5.187,46 3.724,47 3.959,48 5.836,49 3.838,50 4.882,51 5.139,52 3.726,53 4.003,54 5.666,55 3.881,56 0.028,57 0.806,58 14.441,59 5.842,60 12.538,61 7.948,62 0.449,63 1.226,64 27.025,65 9.079,66 57.975,67 12.71,68 0.462,69 1.445,70 33.818,71 11.783,72 49.509,73 16.588,74 0.75,75 1.508,76 42.016,77 12.545,78 95.207,79 18.373,80 0.549,81 1.383,82 36.903,83 11.434,84 60.634,85 16.962,86 0.592,87 1.32,88 34.329,89 10.507,90 57.798,91 15.651,92 0.693,93 1.297,94 33.401,95 10.2,96 71.183,97 15.139,98 0.407,99 1.338,100 31.016,101 10.135,102 42.807,103 15.141,104 36,105 39,106 0.242,107 0.573,108 0.806,109 0.854,110 0.854,111 0.854,112 3.407,113 0.992,114 -3.17,115 -3.16,116 -3.04,118 36.1,119 2,120 3,122 1,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 5,175 1,177 1,180 9,181 3,185 2,186 8,191 3,194 5,195 1,197 1,198 5,203 1,206 2,207 1,209 1,210 5,215 1,221 2,222 7,223 1,233 1,234 7,237 1,242 1,247 6,255 3,258 1,259 7,260 2,267 5,270 1827,271 19.223,272 19.223,273 19.223,274 19.223,275 19.223,276 17.709,277 23.319,278 11.643,279 19.841,280 14.722,281 14.722,282 14.722,283 14.722,284 14.722,285 12.48,286 26.233,287 5.441,288 15.598,289 4.454,290 2.434,291 1.013,292 0.726,293 0.726,294 0.726,295 4.071,299 1,300 1,301 772,302 4.848,305 105.132,306 122.295,313 2.024,314 29.994,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 64,326 381,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.635,333 2.341,334 11.924,335 3.327,336 4.035,337 3.016,338 5.584,339 3.632,340 2.687,341 3.522,342 1.151,343 7.703,344 2.582,345 3.956,346 2.907,347 5.479,348 3.586,349 2.641,350 3.49,351 0.86,352 7.335,353 2.45,354 3.496,355 2.66,356 5.113,357 3.19,358 2.278,359 2.767,360 0.86,361 6.29,362 2.078,363 3.381,364 2.577,365 5.042,366 3.109,367 2.17,368 2.434,370 6.115,371 2.019,372 2.878,373 2.489,374 4.404,375 2.67,376 1.686,377 1.852,379 3.634,380 1.65,381 2.625,382 1.965,383 3.683,384 2.366,385 1.378,386 1.638,388 3.091,389 1.336,390 2.547,391 1.639,392 3.501,393 2.142,394 1.249,395 1.538,397 2.706,398 1.111,399 2.5,400 1.276,401 3.414,402 2,403 1.09,404 1.5,406 2.379,407 1,408 2.216,409 1.156,410 3.347,411 1.979,412 1,413 1.196,415 2.275,416 0.957,417 2.118,418 1,419 3.071,420 1.658,421 0.724,422 0.927,424 1.559,425 0.668,426 1.783,427 0.973,428 3,429 1.554,430 0.618,431 0.753,433 1.372,434 0.577,435 1.65,436 0.618,437 2.8,438 1.401,439 0.529,440 0.578,442 0.867,443 0.456,444 1.089,445 0.473,446 2.616,447 0.888,448 -0.03,449 -0.032,451 -0.062,452 -0.027,453 0.935,454 0.43,455 2.505,456 0.806,457 -0.131,458 -0.139,460 -0.315,461 -0.122,462 13.467,463 0.464,464 0.683,465 0.024,466 30.25,467 1.043,468 12,469 0.414,470 18.25,471 0.629,472 29.096,473 1.003,474 34.533,475 0.566,476 22.521,477 0.777,478 6.026,479 0.208,480 7.877,481 0.272,482 0.161,483 0.037,484 0.178,487 0.862,488 1.581,489 0.909,490 1.408,491 0.765,492 1.2,493 1.155,494 1.001,495 1.011,496 0.979,497 0.634,498 0.963,499 0.992,500 1.275,501 1.143,502 1.328,503 0.838,504 1.277,505 1.292,506 0.9,507 1.098,508 0.935,509 1.558,510 0.98,511 1.005,512 0.932,513 0.93,514 0.938,515 0.789,516 0.926,517 0.962,518 0.961,519 0.956,520 0.964,521 0.786,522 0.958,523 1.023,524 0.929,525 0.993,526 0.89,527 0.784,528 0.931,529 0.878,530 0.943,531 0.959,532 0.899,533 0.552,534 0.931,535 6.5,536 0.231,537 2.889,538 1.097,539 0.737,540 0.591,541 0.294,542 0.297,543 0.288,544 0.235,545 11385,546 31188,547 1.949,548 52.5,549 10,550 16,551 1,552 2,553 1,555 2,558 1.719,559 1.822,560 3.653,561 -0.336,563 1,567 90.058,568 1.476,569 3.497,570 4.918,571 5.205,572 5.205,573 5.205,574 3.112,575 4.073,576 4.828,577 3.874,578 1572.93,579 8.41,580 23656.7,582 1,585 361.775,586 1.469,587 4.777,588 0.217,589 0.007,590 0.074,591 0.03,592 0.025,593 0.02,594 0.01,595 0.01,596 0.009,597 0.007,598 0.409,599 0.33,600 0.88,601 1.876,602 152.159,603 -0.031,604 -0.259,605 0.046,606 -0.149,607 -0.046,608 -0.054,609 -0.052,610 0.136,611 -0.003,612 0.093,613 0.118,614 0.061,615 0.002,616 -0.204,617 -0.165,618 -0.249,619 0.009,620 -0.241,621 -0.139,622 0.007,623 -0.089,624 0.003,625 -0.199,626 -0.031,627 -0.037,628 -0.01,629 0.049,630 0.015,631 -0.03,632 0.043,633 0.025,634 -0.001,635 0.03,636 -0.006,637 -0.001,638 0.012,639 0.017,640 0.034,641 0.001,642 0.074,643 0.033,644 0.039,645 -0.094,646 0.093,647 -0.005,648 0.103,649 -0.048,650 0.073,651 2.427,652 4.178,653 0.379,654 33.241,655 1.002,656 1.136,657 1.939,658 3.76,659 0.618,660 3.434,661 3.689,662 3.807,663 3.829,664 3.871,665 3.871,666 3.871,667 3.892,668 3.97,669 4.043,670 7.988,671 0.582,672 404.56,673 3.434,674 4.934,675 5.72,676 6.541,677 7.343,678 8.163,679 8.969,680 9.789,681 10.596,682 11.416,683 3.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 61,726 12,727 1,728 30,730 62,731 22,733 9,734 2,735 4,739 2,740 2,745 2,746 1,751 4,753 10,754 12,756 1,761 1,765 1,769 1,772 32,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 3,840 29,845 1,846 7,848 3,850 1,852 1,862 8.2,864 1,865 1,866 2,867 1,869 15.917,870 11.433,871 6.625,872 3.535,874 1.445,875 1.219,876 0.878,877 9.649,878 8.055,879 3.624,880 4.073,881 4.438,882 4.757,883 4.959,884 4.905,885 4.924,886 4.891,887 5.075,888 5.319,889 0.889,890 36,891 10.746,893 4.32,894 7.796,895 20.545,897 15.993,899 2.296,900 66.583,903 1,904 364.904,905 125.977,906 18.685,908 100.828,911 125.977,912 465.732,913 18.685,914 28.533,915 23.486,916 46.952,917 139.684,918 30.375,919 11.771,920 329.591,922 364.904,923 144.662,924 100.828,927 341.362,928 102.37,929 22,931 60.702,932 67.174,933 16.786,935 364.904,936 119.513,937 125.977,940 364.904,941 32.825,942 95.051,944 117.613,945 364.904,946 119.513,947 125.977,949 0.569,950 0.317,951 0.137,952 0.064,953 14,954 7,955 0.226,956 14,958 1,959 4.185,960 217.572,962 11,963 134.881,968 23.396,969 11.959,970 8.563,972 117.613,973 13.185,974 4.072,978 1.893,979 1.967,980 42.683,981 610.394,982 36.5,987 11.178,991 -0.761,994 61.094,995 69.272,996 0.249,997 0.59,998 0.829,999 0.878,1000 0.878,1001 0.878,1002 4.834,1003 1.249,1004 5.7,1005 3.091,1006 4.369,1007 4.758,1008 2.719,1009 6.441,1010 4.269,1011 5.992,1012 1.09,1013 7.235,1014 2.706,1015 4.007,1016 4.425,1017 2.243,1018 7.588,1019 3.927,1020 7.267,1021 1,1022 8.892,1023 2.379,1024 5.958,1025 6.751,1026 3.769,1027 10.49,1028 5.803,1029 8.579,1030 0.724,1031 10.63,1032 2.275,1033 6.463,1034 7.232,1035 4.112,1036 12.533,1037 6.347,1038 9.927,1039 0.618,1040 12.426,1041 1.559,1042 7.892,1043 9.028,1044 5.235,1045 15.077,1046 7.733,1047 11.297,1048 0.529,1049 14.265,1050 1.372,1051 8.775,1052 9.862,1053 5.889,1054 17.42,1055 8.655,1056 12.686,1057 -0.03,1058 16.135,1059 0.867,1060 10.027,1061 11.431,1062 6.856,1063 19.901,1064 9.891,1065 3.331,1066 -0.131,1067 18.03,1068 -0.062,1069 11.078,1070 12.442,1071 7.625,1072 22.337,1073 10.973,1074 2.687,1075 11.924,1076 19.943,1077 -0.315,1078 12.275,1079 13.896,1080 8.527,1081 24.812,1082 12.169,1083 2.641,1084 7.703,1085 21.871,1086 3.635,1087 13.403,1088 15.004,1089 9.342,1090 27.277,1091 13.317,1092 2.278,1093 7.335,1094 23.81,1095 3.522,1096 14.588,1097 16.393,1098 10.216,1099 29.753,1100 14.507,1101 2.17,1102 6.29,1103 25.758,1104 3.49,1105 15.751,1106 17.559,1107 11.051,1108 32.226,1109 15.683,1110 1.686,1111 6.115,1112 27.713,1113 2.767,1114 16.938,1115 18.908,1116 11.912,1117 34.704,1118 16.876,1119 1.378,1120 3.634,1121 29.672,1122 2.434,1123 18.119,1124 20.11,1125 12.755,1126 37.18,1127 18.065,1128 11487,1129 19100,1130 19.356,1131 37.705,1132 43.549,1133 44.135,1134 43.721,1135 42.707,1136 42.759,1137 51.66,1138 10.423,1139 114.499,1140 40.423,1141 5.373,1142 5.979,1143 6.953,1144 5.411,1145 5.331,1146 6.635,1147 3.925,1148 18.454,1149 5.327,1150 16.639,1151 1.452,1152 1.471,1153 1.457,1154 1.424,1155 1.425,1156 1.722,1157 0.347,1158 3.817,1159 1.347,1160 3.965,1161 4.018,1162 3.895,1163 3.855,1164 7.474,1165 3.855,1166 3.903,1167 3.937,1168 3.842,1169 3.739,1170 6.351,1171 3.755,1172 3.834,1173 3.877,1174 3.727,1175 3.694,1176 4.962,1177 3.699,1178 3.618,1179 3.657,1180 3.504,1181 3.416,1182 4.876,1183 3.426,1184 3.466,1185 3.519,1186 3.316,1187 3.281,1188 4.646,1189 3.279,1190 3.297,1191 3.351,1192 3.148,1193 3.065,1194 4.46,1195 3.077,1196 3.096,1197 3.164,1198 2.93,1199 2.828,1200 4.262,1201 2.822,1202 3.042,1203 3.068,1204 2.862,1205 2.751,1206 4.196,1207 2.748,1208 0.147,1209 0.133,1210 0.24,1211 0.144,1212 0.111,1213 4.406,1214 0.121,1215 3.979,1216 0.078,1217 7.206,1218 0.397,1219 4.332,1220 0.111,1221 3.331,1222 3.635,1223 2.341,1224 11.924,1225 3.327,1226 1.9,1227 1.878,1228 2.036,1229 2.009,1230 1.367,1231 2.012,1232 1.821,1233 1.777,1234 2.015,1235 1.98,1236 1.197,1237 1.996,1238 1.693,1239 1.642,1240 1.885,1241 1.915,1242 1.125,1243 1.908,1244 1.517,1245 1.455,1246 1.784,1247 1.729,1248 1.045,1249 1.747,1250 1.354,1251 1.303,1252 1.596,1253 1.615,1254 0.701,1255 1.605,1256 1.281,1257 1.219,1258 1.545,1259 1.527,1260 0.626,1261 1.529,1262 1.203,1263 1.132,1264 1.453,1265 1.497,1266 0.598,1267 1.498,1268 1.047,1269 0.967,1270 1.417,1271 1.33,1272 0.517,1273 1.352,1274 4.111,1276 5.38,1277 2.398,1278 6.817,1279 4.443,1280 8.326,1281 6.26,1282 9.872,1284 5.155,1289 9.187,1290 4.445,1292 17.06,1294 -0.102,1296 -0.697,1300 35.519,1301 90.058,1302 213.33,1303 300.001,1304 317.51,1305 317.51,1306 317.51,1307 78.874,1308 6.609,1309 82.81,1310 82.81,1311 11,1312 12,1313 3.7,1314 2.907,1315 65.511,1316 131,1317 149,1318 0.221,1319 223.021,1320 392.75,1321 535.93,1322 6035,1324 21.115,1325 0.728,1326 0.605,1327 21.115,1328 17.543,1329 13.903,1330 0.463,1331 0.331,1332 9.728,1333 13.167,1334 9.385,1335 7.864,1336 13.903,1337 9.919,1338 12.221,1339 0.313,1340 0.199,1341 12.221,1342 7.762,1343 9.406,1344 0.214,1345 0.11,1346 9.406,1347 4.834,1348 6.2,1349 0.138,1350 0.063,1351 6.2,1352 2.839,1353 4.269,1354 0.091,1355 0.037,1356 4.269,1357 1.75,1358 0.359,1359 88.709,1360 0.227,1361 28.422,1362 0.574,1363 138,1364 448.382,1365 155.253,1366 412.961,1367 537.44,1368 386,1369 152,1370 361.324,1371 169.646,1372 366.707,1373 520.28,1374 337,1375 7.444} {0 CHEMBL51875,1 1.648,2 11.939,3 4.337,4 18.813,5 129.105,6 7.888,7 0.333,8 4.21,9 4.309,10 3.942,11 3.826,12 5.234,13 3.763,14 4.802,15 4.949,16 4.275,17 4.28,18 6.013,19 4.187,20 5.153,21 5.359,22 4.311,23 4.469,24 6.101,25 4.326,26 5.26,27 5.483,28 4.308,29 4.492,30 6.235,31 4.35,32 5.322,33 5.569,34 4.409,35 4.53,36 6.223,37 4.37,38 5.327,39 5.57,40 4.441,41 4.519,42 6.33,43 4.368,44 5.277,45 5.503,46 4.271,47 4.463,48 6.31,49 4.32,50 5.223,51 5.453,52 4.239,53 4.419,54 6.28,55 4.284,56 0.102,57 0.867,58 15.26,59 6.545,60 22.72,61 7.951,62 0.408,63 1.469,64 26.425,65 11.653,66 85.768,67 14.781,68 0.372,69 1.951,70 45.749,71 17.306,72 84.896,73 21.764,74 0.523,75 2.148,76 50.279,77 18.136,78 110.384,79 23.189,80 0.554,81 2.331,82 55.536,83 19.036,84 106.187,85 24.739,86 0.733,87 2.306,88 60.11,89 19.896,90 123.25,91 25.118,92 0.683,93 2.115,94 53.857,95 18.523,96 138.44,97 23.042,98 0.603,99 1.992,100 48.263,101 17.342,102 117.575,103 22.399,104 32,105 52,106 0.265,107 0.597,108 0.782,109 0.878,110 0.894,111 0.894,112 3.532,113 1.101,114 -4.73,115 -4.64,116 -4.36,118 40.3,120 6,121 3,122 1,124 1,133 2,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 18,169 1,171 1,172 3,175 3,177 2,180 26,181 1,186 7,191 5,194 22,195 1,198 10,203 8,206 17,207 1,210 9,215 4,218 16,219 1,222 15,225 1,227 4,229 16,230 1,234 8,239 2,242 20,243 3,246 2,247 8,252 4,255 19,256 4,259 8,260 1,264 4,265 1,267 12,268 2,270 2228,271 21.978,272 21.978,273 21.978,274 21.978,275 21.978,276 19.76,277 15.41,278 12.933,279 22.347,280 17.741,281 17.741,282 17.741,283 17.741,284 17.741,285 14.489,286 10.589,287 6.085,288 18.402,289 4.306,290 2.234,291 1.085,292 0.484,293 0.387,294 0.387,295 4.221,297 1,300 1,301 835,302 4.69,305 178.033,306 337.472,313 1.763,314 44.938,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 71.333,326 394,327 4.854,328 4.684,329 8.271,330 4.771,331 3.772,332 4.697,333 2.341,334 16.389,335 3.769,336 4.804,337 3.921,338 7.293,339 4.29,340 3.373,341 3.989,343 12.406,344 3.062,345 3.836,346 3.597,347 6.064,348 3.534,349 2.538,350 3.393,352 8.357,353 2.526,354 3.748,355 2.898,356 5.564,357 3.312,358 2.4,359 3.096,361 6.459,362 2.222,363 3.559,364 2.617,365 5.149,366 3.24,367 2.235,368 2.721,370 6.303,371 2.16,372 3.29,373 2.143,374 5.067,375 3.013,376 2.028,377 2.393,379 5.45,380 1.995,381 3.091,382 2.06,383 4.729,384 2.932,385 1.945,386 2.29,388 5.182,389 1.915,390 3.062,391 1.926,392 4.659,393 2.594,394 1.623,395 2.123,397 4.738,398 1.584,399 2.949,400 1.788,401 4.111,402 2.552,403 1.585,404 1.961,406 3.353,407 1.447,408 2.635,409 1.39,410 3.733,411 2.239,412 1.265,413 1.667,415 2.964,416 1.229,417 2.5,418 1.308,419 3.51,420 2,421 1,422 1.5,424 2.364,425 1,426 2.5,427 1.014,428 3.414,429 1.958,430 1,431 1.5,433 2.275,434 0.955,435 2.052,436 1,437 3.346,438 1.95,439 0.967,440 1.017,442 2.136,443 0.946,444 1.864,445 1,446 3.283,447 1.715,448 0.727,449 0.769,451 1.699,452 0.716,453 1.664,454 0.726,455 3.247,456 1.589,457 0.599,458 0.632,460 1.399,461 0.59,462 16.181,463 0.49,464 0.932,465 0.028,466 37.5,467 1.136,468 17.5,469 0.53,470 20,471 0.606,472 36.254,473 1.099,474 36.619,475 0.591,476 29.648,477 0.898,478 6.537,479 0.198,480 9.289,481 0.281,482 0.127,483 0.082,484 0.216,487 0.566,488 1.214,489 0.742,490 1.121,491 0.648,492 0.956,493 0.448,494 1.103,495 0.787,496 1.012,497 0.413,498 1.049,499 0.768,500 1.124,501 1.003,502 1.114,503 0.72,504 1.094,505 0.903,506 1.115,507 0.93,508 1.027,509 0.883,510 1.058,511 0.744,512 1.035,513 0.726,514 0.894,515 0.722,516 0.966,517 0.684,518 0.981,519 0.924,520 1.062,521 0.709,522 0.961,523 1.116,524 0.975,525 0.977,526 1.002,527 1.213,528 1.003,529 0.885,530 0.956,531 0.847,532 0.941,533 0.957,534 0.992,535 8,536 0.226,537 5.111,538 2.819,539 1.584,540 1.452,541 1.039,542 0.652,543 0.494,544 0.39,545 14086,546 43790,547 2.047,548 46.8,549 12,550 10,552 2,553 2,554 2,555 1,558 1.76,559 1.904,560 3.462,561 0.192,567 102.182,568 1.648,569 3.721,570 4.869,571 5.47,572 5.567,573 5.567,574 3.017,575 4.62,576 5.007,577 3.674,578 1939.66,579 8.817,580 28443.6,585 369.16,586 1.591,587 4.958,588 0.222,589 0.007,590 0.098,591 0.054,592 0.03,593 0.028,594 0.019,595 0.013,596 0.01,597 0.009,598 0.491,599 0.17,600 0.88,601 1.483,602 173.247,603 0.043,604 -0.015,605 0.13,606 0.003,607 -0.078,608 0.057,609 0.237,610 0.013,611 0.004,612 -0.013,613 0.265,614 -0.06,615 -0.05,616 -0.106,617 -0.077,618 -0.085,619 0.001,620 -0.08,621 -0.087,622 -0.11,623 -0.072,624 -0.061,625 -0.048,626 -0.073,627 -0.034,628 -0.006,629 0.09,630 0.058,631 -0.045,632 0.015,633 0.097,634 0.047,635 0.057,636 -0.024,637 0.051,638 0.038,639 -0.137,640 0.009,641 -0.08,642 -0.005,643 -0.118,644 -0.021,645 -0.01,646 0.013,647 -0.019,648 -0.009,649 -0.025,650 -0.01,651 4.577,652 5.981,653 0.576,654 36.654,655 1.005,656 1.121,657 3.497,658 12.232,659 0.677,660 3.611,661 3.97,662 4.263,663 4.554,664 4.779,665 4.92,666 5.011,667 5.081,668 5.159,669 5.204,670 6.968,671 0.634,672 489.08,673 3.611,674 5.176,675 6.043,676 6.954,677 7.856,678 8.784,679 9.704,680 10.643,681 11.575,682 12.521,683 3.2,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 62,726 16,727 1,728 36,730 65,731 25,733 11,734 2,735 4,739 4,740 5,741 1,746 1,747 1,748 3,749 3,751 6,753 14,754 11,755 3,756 4,760 1,761 3,763 2,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 0.75,785 4,795 1,801 2,802 3,818 1,822 2,830 1,832 3,834 1,837 1,840 33,844 1,845 1,846 7,847 1,850 3,852 1,861 1,862 6.5,864 1,865 3,869 17.333,870 10.543,871 7.194,872 3.837,874 1.78,875 1.231,876 0.944,877 7.351,878 9.479,879 3.85,880 4.407,881 4.828,882 5.283,883 5.741,884 5.894,885 6.078,886 6.175,887 6.392,888 6.577,889 1,890 52,891 12.545,893 5.739,894 7.923,895 23.667,897 20.748,899 2.423,900 79.944,904 317.82,905 126.172,906 33.191,907 39.149,908 112.141,910 5.807,911 120.365,912 469.11,913 33.191,915 17.313,916 98.022,917 153.379,918 26.332,920 294.278,921 39.149,922 317.82,923 153.555,924 112.141,925 44.956,927 306.049,928 123.912,931 51.813,932 66.004,933 80.694,935 317.82,936 145.332,937 165.321,939 5.807,940 317.82,941 26.46,942 93.905,943 16.405,944 168.075,945 317.82,946 145.332,947 165.321,949 0.586,950 0.334,951 0.177,952 0.098,953 25,954 11,955 0.154,956 10,957 2,958 1.158,959 4.244,960 313.611,961 0.211,962 18,963 160.465,967 1,968 24.097,969 10.068,970 5.072,972 145.332,973 13.893,974 4.372,978 1.832,980 59.088,981 628.472,982 46,986 -3.66,987 36.821,989 4.018,991 -0.809,994 62.283,995 69.511,996 0.277,997 0.625,998 0.818,999 0.919,1000 0.935,1001 0.935,1002 5.124,1003 1.623,1004 6.084,1005 5.182,1006 4.654,1007 5.094,1008 2.258,1009 7.024,1010 4.588,1011 6.347,1012 1.585,1013 7.733,1014 4.738,1015 4.511,1016 5.121,1017 2.243,1018 8.58,1019 4.382,1020 7.7,1021 1.265,1022 9.52,1023 3.353,1024 6.418,1025 7.297,1026 3.628,1027 11.726,1028 6.295,1029 9.1,1030 1,1031 11.4,1032 2.964,1033 7.163,1034 8.183,1035 4.112,1036 14.171,1037 7,1038 10.544,1039 1,1040 13.344,1041 2.364,1042 8.622,1043 9.919,1044 5.201,1045 17.013,1046 8.46,1047 12.02,1048 0.967,1049 15.332,1050 2.275,1051 9.723,1052 11.167,1053 5.889,1054 19.702,1055 9.545,1056 13.521,1057 0.727,1058 17.35,1059 2.136,1060 11.057,1061 12.763,1062 6.849,1063 22.49,1064 10.881,1065 3.772,1066 0.599,1067 19.389,1068 1.699,1069 12.289,1070 14.167,1071 7.625,1072 25.246,1073 12.111,1074 3.373,1075 16.389,1076 21.444,1077 1.399,1078 13.595,1079 15.717,1080 8.526,1081 28.029,1082 13.421,1083 2.538,1084 12.406,1085 23.511,1086 4.697,1087 14.875,1088 17.192,1089 9.342,1090 30.808,1091 14.705,1092 2.4,1093 8.357,1094 25.586,1095 3.989,1096 16.178,1097 18.728,1098 10.216,1099 33.595,1100 16.015,1101 2.235,1102 6.459,1103 27.667,1104 3.393,1105 17.476,1106 20.235,1107 11.051,1108 36.382,1109 17.32,1110 2.028,1111 6.303,1112 29.754,1113 3.096,1114 18.782,1115 21.77,1116 11.912,1117 39.173,1118 18.634,1119 1.945,1120 5.45,1121 31.844,1122 2.721,1123 20.088,1124 23.293,1125 12.755,1126 41.964,1127 19.949,1128 13722,1129 24356,1130 23.633,1131 41.995,1132 54.481,1133 56.251,1134 56.418,1135 54.485,1136 54.199,1137 67.591,1138 4.682,1139 163.168,1140 52.318,1141 5.854,1142 6.684,1143 8.073,1144 5.829,1145 5.772,1146 7.697,1147 3.925,1148 24.716,1149 5.769,1150 17.416,1151 1.513,1152 1.563,1153 1.567,1154 1.513,1155 1.506,1156 1.878,1157 0.13,1158 4.532,1159 1.453,1160 4.132,1161 4.155,1162 4.736,1163 4.09,1164 7.717,1165 4.045,1166 4.026,1167 4.014,1168 4.012,1169 3.996,1170 7.474,1171 3.943,1172 3.781,1173 3.828,1174 3.925,1175 3.675,1176 6.999,1177 3.674,1178 3.724,1179 3.766,1180 3.694,1181 3.601,1182 6.351,1183 3.592,1184 3.644,1185 3.645,1186 3.61,1187 3.571,1188 4.931,1189 3.499,1190 3.435,1191 3.47,1192 3.33,1193 3.258,1194 4.896,1195 3.263,1196 3.23,1197 3.271,1198 3.182,1199 3.079,1200 4.454,1201 3.059,1202 3.051,1203 3.098,1204 3.076,1205 2.88,1206 4.294,1207 2.878,1208 0.135,1209 0.13,1210 0.23,1211 0.133,1212 0.105,1213 4.854,1214 0.13,1215 4.684,1216 0.065,1217 8.271,1218 0.455,1219 4.771,1220 0.105,1221 3.772,1222 4.697,1223 2.341,1224 16.389,1225 3.769,1226 1.974,1227 1.972,1228 2.087,1229 2.065,1230 1.515,1231 2.088,1232 1.934,1233 1.916,1234 1.953,1235 2,1236 1.254,1237 2.032,1238 1.719,1239 1.675,1240 1.912,1241 1.871,1242 1.157,1243 1.883,1244 1.686,1245 1.64,1246 1.875,1247 1.835,1248 1.149,1249 1.854,1250 1.546,1251 1.505,1252 1.772,1253 1.705,1254 1.015,1255 1.733,1256 1.461,1257 1.46,1258 1.641,1259 1.631,1260 0.855,1261 1.666,1262 1.361,1263 1.316,1264 1.541,1265 1.568,1266 0.779,1267 1.58,1268 1.163,1269 1.123,1270 1.249,1271 1.354,1272 0.513,1273 1.383,1274 4.29,1276 5.638,1277 3.045,1278 7.195,1279 5.476,1280 8.86,1281 7.67,1282 10.59,1285 5.918,1289 8.922,1290 4.973,1291 2.87,1294 1.017,1296 -0.223,1300 39.292,1301 102.182,1302 230.68,1303 301.876,1304 339.16,1305 345.16,1306 345.16,1307 90.472,1308 7.699,1309 96.36,1310 104.74,1311 22,1312 13.016,1313 4.087,1314 3.459,1315 53.977,1316 128,1317 163,1318 0.195,1319 246.624,1320 439.58,1321 593.522,1322 21862,1323 1.6,1324 23.476,1325 0.711,1326 0.604,1327 24.226,1328 19.933,1329 15.826,1330 0.44,1331 0.367,1332 11.42,1333 14.333,1334 11.037,1335 9.056,1336 16.936,1337 13.214,1338 14.801,1339 0.285,1340 0.217,1341 16.533,1342 11.276,1343 11.97,1344 0.171,1345 0.13,1346 13.35,1347 9.087,1348 9.92,1349 0.106,1350 0.076,1351 10.926,1352 7.131,1353 7.87,1354 0.067,1355 0.046,1356 8.938,1357 5.459,1358 0.302,1359 109.425,1360 0.206,1361 30.364,1362 0.553,1363 176,1364 494.398,1365 239.911,1366 528.187,1367 691.41,1368 484,1369 210,1370 440.182,1371 273.141,1372 492.041,1373 713.79,1374 462,1375 6.469} {0 CHEMBL51949,1 1.307,2 11.087,3 4.244,4 18.01,5 92.324,6 6.27,7 0.24,8 3.965,9 4.092,10 3.377,11 3.533,12 4.911,13 3.465,14 4.573,15 4.759,16 3.705,17 3.988,18 5.493,19 3.869,20 4.927,21 5.19,22 3.612,23 4.115,24 5.628,25 3.928,26 4.921,27 5.209,28 3.584,29 4.065,30 5.606,31 3.877,32 4.857,33 5.127,34 3.571,35 4.024,36 5.618,37 3.845,38 4.819,39 5.109,40 3.403,41 3.917,42 5.594,43 3.722,44 4.65,45 4.944,46 3.174,47 3.743,48 5.358,49 3.529,50 4.511,51 4.812,52 3.041,53 3.589,54 5.161,55 3.376,56 0.052,57 0.671,58 11.985,59 5.382,60 8.27,61 7.363,62 0.205,63 1.16,64 22.055,65 9.519,66 35.184,67 13.354,68 0.217,69 1.48,70 31.114,71 12.688,72 32.141,73 18.122,74 0.225,75 1.439,76 30.814,77 12.285,78 31.922,79 17.752,80 0.21,81 1.384,82 29.071,83 11.391,84 31.464,85 16.533,86 0.242,87 1.299,88 28.081,89 10.453,90 40.33,91 15.397,92 0.168,93 1.08,94 23.417,95 9.182,96 28.688,97 13.385,98 0.145,99 0.923,100 20.32,101 8.01,102 19.484,103 11.625,104 13,105 33,106 0.224,107 0.525,108 0.743,109 0.878,110 0.913,111 0.913,112 3.187,113 1.083,114 -4.86,115 -4.77,116 -4.47,118 40,120 8,121 4,133 2,140 2,141 1,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 23,181 1,186 3,191 1,194 19,195 1,198 3,203 1,206 18,207 1,210 5,215 1,218 16,219 1,222 3,227 1,229 12,230 1,234 2,239 1,242 10,243 1,247 2,252 1,255 9,256 1,259 2,264 1,267 7,268 2,270 850,271 15.811,272 15.811,273 15.811,274 15.811,275 15.811,276 14.618,277 11.276,278 9.852,279 15.882,280 12.409,281 12.409,282 12.409,283 12.409,284 12.409,285 10.732,286 6.304,287 4.758,288 12.508,289 4.336,290 2.581,291 1.31,292 0.52,293 0.32,294 0.32,295 3.871,299 1,300 1,301 546,302 3.536,305 119.283,306 144.226,313 1.577,314 16.849,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 48.5,326 255,327 4.353,328 3.596,329 6.944,330 4.291,331 3.291,332 3.636,333 2.341,334 11.766,335 3.29,336 3.752,337 3.407,338 5.771,339 3.453,340 2.461,341 3.02,343 7.759,344 2.442,345 3.551,346 2.574,347 5.217,348 3.242,349 2.236,350 2.711,352 6.194,353 2.224,354 3.233,355 2.211,356 4.684,357 3.024,358 2.025,359 2.303,361 5.184,362 2.024,363 3.018,364 1.941,365 4.659,366 2.778,367 1.784,368 2.147,370 4.728,371 1.772,372 2.883,373 1.77,374 3.844,375 2.682,376 1.695,377 1.89,379 3.579,380 1.67,381 2.535,382 1.526,383 3.64,384 2.32,385 1.331,386 1.528,388 2.957,389 1.314,390 2.5,391 1.278,392 3.392,393 2.128,394 1.136,395 1.5,397 2.488,398 1.124,399 2.411,400 1.02,401 3.264,402 1.956,403 1,404 1.353,406 2.136,407 0.953,408 1.727,409 1,410 3.247,411 1.697,412 0.696,413 0.705,415 1.644,416 0.696,417 1.619,418 0.651,419 3.017,420 1.557,421 0.557,422 0.579,424 1.278,425 0.555,426 1.265,427 0.575,428 2.605,429 1.047,430 0.048,431 0.054,433 0.114,434 0.047,435 0.781,436 0.175,437 2.281,438 0.614,439 -0.384,440 -0.406,442 -0.9,443 -0.379,444 0.57,445 -0.076,446 2.136,447 0.181,448 -0.81,449 -0.968,451 -1.819,452 -0.785,453 0.5,454 -0.606,455 2.092,456 0.024,457 -1,458 -1.142,460 -2,461 -0.941,462 11.067,463 0.481,464 0.418,465 0.018,466 22,467 0.957,468 8.5,469 0.37,470 13.5,471 0.587,472 23.822,473 1.036,474 26.133,475 0.523,476 12.049,477 0.524,478 3.478,479 0.151,480 7.776,481 0.338,482 0.06,484 0.271,487 0.74,488 1.205,489 0.971,490 1.143,491 0.66,492 1.091,493 0.428,494 1.226,495 1.062,496 1.234,497 0.348,498 1.215,499 0.698,500 1.085,501 1.052,502 1.109,503 0.694,504 1.119,505 0.62,506 0.909,507 0.884,508 0.92,509 0.61,510 0.928,511 0.702,512 1.079,513 0.991,514 1.048,515 0.695,516 1.049,517 0.826,518 0.951,519 1.015,520 0.958,521 0.715,522 0.992,523 0.599,524 0.998,525 0.973,526 1.029,527 0.52,528 1.036,529 0.586,530 0.953,531 0.894,532 0.975,533 0.578,534 0.969,535 3,536 0.091,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.159,543 0.097,544 0.076,545 6163,546 14168,547 2.093,548 54,549 18,550 4,552 2,553 1,554 2,558 1.652,559 2,560 3.388,561 -0.412,563 1,567 65.372,568 1.307,569 3.063,570 4.334,571 5.124,572 5.324,573 5.324,574 2.877,575 4.056,576 4.487,577 3.602,578 911.297,579 7.705,580 10894.9,582 1,584 1,585 282.193,586 1.214,587 4.473,588 0.12,589 0.006,590 0.054,591 0.046,592 0.03,593 0.017,594 0.013,595 0.009,596 0.006,597 0.005,598 0.308,599 0.5,600 1,601 2.076,602 110.098,603 -0.034,604 0.022,605 0.033,606 0.057,607 0.009,608 0.051,609 0.165,610 -0.089,611 -0.093,612 -0.113,613 0.211,614 -0.126,615 -0.045,616 -0.094,617 -0.108,618 -0.091,619 -0.035,620 -0.106,621 -0.001,622 0.053,623 0.053,624 0.066,625 -0.017,626 0.065,627 -0.024,628 -0.082,629 -0.042,630 -0.052,631 -0.053,632 -0.051,633 -0.066,634 0.033,635 -0.059,636 -0.005,637 -0.028,638 -0.025,639 -0.003,640 -0.043,641 -0.042,642 -0.059,643 0.033,644 -0.054,645 0.027,646 -0.023,647 0.035,648 -0.008,649 0.01,650 0.011,651 2.352,652 3.483,653 0.565,654 22.726,655 0.985,656 1.126,657 3.626,658 13.151,659 0.636,660 3.258,661 3.526,662 3.784,663 4.094,664 4.263,665 4.304,666 4.369,667 4.407,668 4.369,669 4.317,670 6.557,671 0.586,672 313.48,673 3.258,674 4.762,675 5.595,676 6.463,677 7.331,678 8.22,679 9.109,680 10.011,681 10.913,682 11.823,683 2,693 1,699 4,700 1,704 1,706 6,724 50,726 8,728 25,730 52,731 20,733 5,739 3,740 4,748 3,749 4,751 8,753 8,754 12,755 4,756 2,761 1,763 2,765 1,769 1,772 27,773 3,774 1,775 3,779 1,784 0.667,785 2,795 1,801 2,802 2,818 1,822 2,830 1,832 2,840 23,845 1,846 8,850 4,862 4,864 1,865 1,869 11.5,870 8.4,871 5.194,872 3.433,874 1.438,875 1.209,876 0.918,877 5.615,878 8.307,879 3.434,880 3.839,881 4.201,882 4.646,883 5.032,884 5.062,885 5.357,886 5.586,887 5.696,888 5.785,889 1,890 28,891 8.564,893 3.614,894 7.616,895 17.151,897 14.931,899 2.116,900 48.667,901 0.001,903 1,904 306.049,905 80.372,906 16.786,908 67.828,911 80.372,912 373.877,913 16.786,915 20.276,916 37.905,917 109.066,918 21.28,920 282.506,922 306.049,923 97.157,924 67.828,927 306.049,928 67.828,931 38.371,932 23.048,933 35.738,935 306.049,936 84.614,937 80.372,940 306.049,941 24.372,942 56,944 84.614,945 306.049,946 84.614,947 80.372,949 0.559,950 0.308,951 0.175,952 0.094,953 15,954 6,955 0.154,956 8,957 2,958 1.231,959 3.706,960 172.391,961 0.308,962 12,963 104.042,968 16.392,969 7.878,970 4.088,972 84.614,973 8.244,974 4.326,978 1.43,980 42.683,981 471.034,982 30,987 10.483,989 4.601,991 -0.685,994 49.243,995 56.315,996 0.232,997 0.543,998 0.768,999 0.908,1000 0.943,1001 0.943,1002 4.659,1003 1.136,1004 5.541,1005 2.957,1006 4.205,1007 4.522,1008 2.258,1009 6.33,1010 4.192,1011 5.772,1012 1,1013 7.071,1014 2.488,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.604,1020 7.016,1021 0.696,1022 8.715,1023 2.136,1024 5.74,1025 6.365,1026 3.628,1027 10.417,1028 5.723,1029 8.291,1030 0.557,1031 10.436,1032 1.644,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 6.082,1038 9.604,1039 0.048,1040 12.211,1041 1.278,1042 7.633,1043 8.511,1044 5.201,1045 15,1046 7.616,1047 10.945,1048 -0.384,1049 14.024,1050 0.114,1051 8.447,1052 9.14,1053 5.889,1054 17.262,1055 8.44,1056 12.309,1057 -0.81,1058 15.866,1059 -0.9,1060 9.761,1061 10.828,1062 6.849,1063 19.8,1064 9.748,1065 3.291,1066 -1,1067 17.73,1068 -1.819,1069 10.793,1070 11.687,1071 7.625,1072 22.193,1073 10.786,1074 2.461,1075 11.766,1076 19.609,1077 -2,1078 12.022,1079 13.242,1080 8.526,1081 24.682,1082 12.011,1083 2.236,1084 7.759,1085 21.502,1086 3.636,1087 13.148,1088 14.244,1089 9.342,1090 27.121,1091 13.14,1092 2.025,1093 6.194,1094 23.403,1095 3.02,1096 14.348,1097 15.715,1098 10.216,1099 29.594,1100 14.339,1101 1.784,1102 5.184,1103 25.313,1104 2.711,1105 15.512,1106 16.809,1107 11.051,1108 32.05,1109 15.504,1110 1.695,1111 4.728,1112 27.228,1113 2.303,1114 16.704,1115 18.224,1116 11.912,1117 34.518,1118 16.695,1119 1.331,1120 3.579,1121 29.147,1122 2.147,1123 17.883,1124 19.38,1125 12.755,1126 36.98,1127 17.875,1128 6063,1129 9232,1130 16.989,1131 31.813,1132 36.893,1133 37.359,1134 37.277,1135 36.542,1136 36.521,1137 42.849,1138 4.682,1139 99.654,1140 36.222,1141 5.353,1142 5.596,1143 6.807,1144 5.327,1145 5.291,1146 6.636,1147 3.925,1148 18.961,1149 5.29,1150 9.264,1151 1.476,1152 1.494,1153 1.491,1154 1.462,1155 1.461,1156 1.714,1157 0.187,1158 3.986,1159 1.449,1160 4.077,1161 4.117,1162 3.986,1163 4.005,1164 7.474,1165 3.995,1166 3.786,1167 3.834,1168 3.701,1169 3.681,1170 6.351,1171 3.68,1172 3.764,1173 3.815,1174 3.633,1175 3.646,1176 4.898,1177 3.633,1178 3.565,1179 3.607,1180 3.452,1181 3.419,1182 4.453,1183 3.415,1184 3.292,1185 3.342,1186 3.135,1187 3.099,1188 4.284,1189 3.097,1190 3.067,1191 3.13,1192 2.909,1193 2.917,1194 3.933,1195 2.907,1196 2.93,1197 2.996,1198 2.752,1199 2.756,1200 3.82,1201 2.748,1202 2.821,1203 2.92,1204 2.62,1205 2.627,1206 3.658,1207 2.6,1208 0.174,1209 0.144,1210 0.278,1211 0.172,1212 0.132,1213 4.353,1214 0.145,1215 3.596,1216 0.094,1217 6.944,1218 0.471,1219 4.291,1220 0.132,1221 3.291,1222 3.636,1223 2.341,1224 11.766,1225 3.29,1226 1.928,1227 1.893,1228 2.076,1229 2.033,1230 1.485,1231 2.048,1232 1.785,1233 1.737,1234 1.991,1235 1.929,1236 1.311,1237 1.952,1238 1.685,1239 1.635,1240 1.883,1241 1.838,1242 1.234,1243 1.856,1244 1.547,1245 1.493,1246 1.783,1247 1.71,1248 1.023,1249 1.735,1250 1.488,1251 1.437,1252 1.729,1253 1.658,1254 0.935,1255 1.683,1256 1.249,1257 1.189,1258 1.538,1259 1.48,1260 0.8,1261 1.497,1262 1.041,1263 0.986,1264 1.317,1265 1.267,1266 0.526,1267 1.282,1268 0.819,1269 0.754,1270 1.138,1271 1.079,1272 0.297,1273 1.103,1274 3.932,1276 5.209,1277 3.045,1278 6.686,1279 5.416,1280 8.272,1281 7.535,1282 9.929,1289 8.634,1290 8.418,1294 3.215,1300 29.299,1301 65.372,1302 153.125,1303 216.709,1304 256.193,1305 266.193,1306 266.193,1307 40.992,1308 6.869,1309 50.19,1310 50.19,1311 16,1312 12.341,1313 3.17,1314 2.585,1315 37.141,1316 86,1317 101,1318 0.203,1319 180.587,1320 321.96,1321 432.392,1322 8317,1324 16.071,1325 0.699,1326 0.597,1327 16.071,1328 13.733,1329 11.254,1330 0.45,1331 0.361,1332 8.975,1333 11.03,1334 8.801,1335 7.277,1336 11.254,1337 9.021,1338 9.711,1339 0.294,1340 0.217,1341 9.711,1342 7.156,1343 7.671,1344 0.178,1345 0.134,1346 7.671,1347 5.744,1348 6.6,1349 0.112,1350 0.081,1351 6.6,1352 4.752,1353 5.076,1354 0.073,1355 0.047,1356 5.076,1357 3.31,1358 0.327,1359 69.179,1360 0.243,1361 23.128,1362 0.535,1363 116,1364 263.53,1365 121.816,1366 257.487,1367 342.75,1368 240,1369 134,1370 238.779,1371 138.157,1372 243.343,1373 349.31,1374 230,1375 6.783} {0 CHEMBL52344,1 1.386,2 10.273,3 2.984,4 8.905,5 83.586,6 6.456,7 0.25,8 3.922,9 4.041,10 3.36,11 3.446,12 4.879,13 3.397,14 4.543,15 4.72,16 3.706,17 3.888,18 5.5,19 3.797,20 4.876,21 5.132,22 3.589,23 4.003,24 5.615,25 3.842,26 4.844,27 5.114,28 3.577,29 3.966,30 5.565,31 3.804,32 4.845,33 5.108,34 3.57,35 3.947,36 5.616,37 3.786,38 4.807,39 5.09,40 3.39,41 3.856,42 5.546,43 3.673,44 4.668,45 4.961,46 3.152,47 3.68,48 5.39,49 3.479,50 4.469,51 4.758,52 3.01,53 3.487,54 5.204,55 3.298,56 0.037,57 0.635,58 11.294,59 5.004,60 8.427,61 6.707,62 0.218,63 1.078,64 21.548,65 8.687,66 37.728,67 12.009,68 0.323,69 1.324,70 30.361,71 11.204,72 40.677,73 15.984,74 0.26,75 1.289,76 29.187,77 10.854,78 35.953,79 15.695,80 0.339,81 1.287,82 29.5,83 10.539,84 39.428,85 15.328,86 0.297,87 1.212,88 28.341,89 9.897,90 38.417,91 14.618,92 0.277,93 1.025,94 24.667,95 8.557,96 35.063,97 12.645,98 0.223,99 0.833,100 20.188,101 7.042,102 30.899,103 10.326,104 12,105 32,106 0.242,107 0.524,108 0.717,109 0.86,110 0.91,111 0.91,112 3.146,113 1.066,114 -3.67,115 -3.64,116 -3.47,118 38.3,120 8,121 2,126 2,140 2,141 1,143 2,154 1,163 1,167 1,168 11,169 1,172 7,175 1,177 1,180 11,181 1,186 5,191 1,194 12,195 1,198 4,203 1,206 11,207 1,209 1,210 5,215 1,218 10,219 1,222 4,227 1,229 8,230 1,234 3,239 1,242 6,243 1,247 3,252 1,255 5,256 1,259 2,260 1,264 1,267 3,268 2,270 744,271 15.104,272 15.104,273 15.104,274 15.104,275 15.104,276 14.17,277 12.978,278 9.352,279 15.281,280 11.909,281 11.909,282 11.909,283 11.909,284 11.909,285 10.583,286 13.2,287 4.508,288 12.207,289 4.168,290 2.555,291 1.448,292 0.628,293 0.34,294 0.34,295 3.828,298 1,299 1,300 1,301 484,302 3.391,305 111.235,306 135.089,313 1.479,314 20.575,315 1,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 47.5,326 226,327 4.352,328 3.596,329 6.944,330 4.265,331 3.291,332 3.635,333 2.341,334 11.766,335 3.205,336 3.75,337 3.543,338 5.771,339 3.435,340 2.461,341 3.014,342 0.86,343 7.759,344 2.394,345 3.55,346 2.711,347 5.217,348 3.241,349 2.236,350 2.71,352 6.194,353 2.223,354 3.054,355 2.187,356 4.685,357 2.991,358 2.021,359 2.16,361 5.184,362 1.954,363 2.977,364 1.877,365 4.659,366 2.734,367 1.763,368 2.013,370 4.727,371 1.708,372 2.716,373 1.748,374 3.807,375 2.625,376 1.64,377 1.716,379 3.45,380 1.608,381 2.5,382 1.395,383 3.606,384 2.244,385 1.268,386 1.5,388 2.9,389 1.233,390 2.49,391 1.153,392 3.304,393 1.999,394 1,395 1.486,397 2.162,398 0.995,399 2.087,400 1,401 3.254,402 1.955,403 1,404 1.056,406 2.136,407 0.953,408 1.655,409 0.963,410 3.247,411 1.569,412 0.648,413 0.65,415 1.594,416 0.589,417 1.42,418 0.696,419 2.872,420 1.318,421 0.333,422 0.349,424 0.77,425 0.326,426 0.951,427 0.353,428 2.426,429 0.808,430 -0.185,431 -0.196,433 -0.454,434 -0.182,435 0.606,436 0.011,437 2.259,438 0.333,439 -0.661,440 -0.708,442 -1.49,443 -0.645,444 0.5,445 -0.431,446 2.104,447 0.062,448 -0.926,449 -1.105,451 -2,452 -0.891,453 0.429,454 -0.837,455 1.863,456 -0.017,457 -1,458 -1.245,460 -2.232,461 -0.973,462 10.4,463 0.473,464 0.418,465 0.019,466 21,467 0.955,468 7.5,469 0.341,470 13.5,471 0.614,472 22.415,473 1.019,474 25.6,475 0.545,476 11.549,477 0.525,478 3.358,479 0.153,480 7.396,481 0.336,482 0.064,484 0.288,487 0.775,488 1.296,489 0.923,490 1.22,491 0.678,492 1.113,493 0.721,494 1.266,495 1.037,496 1.263,497 0.419,498 1.205,499 0.951,500 1.002,501 1.047,502 1.019,503 0.763,504 1.048,505 0.725,506 0.982,507 0.917,508 0.991,509 0.632,510 0.984,511 0.834,512 1.037,513 0.999,514 1.027,515 0.684,516 1.037,517 0.83,518 0.981,519 1.007,520 0.991,521 0.712,522 1.016,523 0.85,524 0.922,525 1.005,526 0.953,527 0.776,528 0.993,529 0.876,530 0.922,531 0.968,532 0.943,533 0.889,534 0.966,535 3,536 0.131,537 1.778,538 1.285,539 0.828,540 0.469,541 0.296,542 0.128,543 0.097,544 0.111,545 5276,546 13212,547 2.097,548 53.2,549 10,550 4,552 2,553 1,554 2,555 6,558 1.642,559 2,560 3.291,561 -0.354,562 1,563 1,567 65.156,568 1.386,569 2.999,570 4.107,571 4.927,572 5.214,573 5.214,574 2.738,575 4.096,576 4.422,577 3.491,578 806.453,579 7.586,580 9163.36,582 1,584 1,585 261.066,586 1.241,587 4.407,588 0.125,589 0.009,590 0.056,591 0.048,592 0.031,593 0.018,594 0.014,595 0.008,596 0.007,597 0.008,598 0.323,599 0.5,600 1,601 1.936,602 102.821,603 -0.03,604 -0.029,605 0.043,606 0.016,607 -0.004,608 0.036,609 0.095,610 -0.119,611 -0.071,612 -0.136,613 0.187,614 -0.128,615 -0.093,616 -0.023,617 -0.09,618 -0.014,619 -0.053,620 -0.049,621 -0.016,622 -0.005,623 0.021,624 0.008,625 -0.011,626 0.018,627 -0.009,628 -0.052,629 -0.042,630 -0.041,631 -0.028,632 -0.049,633 -0.058,634 -0.018,635 -0.059,636 -0.034,637 -0.048,638 -0.044,639 -0.064,640 0.011,641 -0.059,642 -0.011,643 -0.058,644 -0.03,645 -0.052,646 0.003,647 -0.018,648 0.004,649 -0.075,650 -0.001,651 2.349,652 3.505,653 0.591,654 20.405,655 0.993,656 1.13,657 2.445,658 5.977,659 0.628,660 3.219,661 3.497,662 3.761,663 4.078,664 4.248,665 4.29,666 4.357,667 4.394,668 4.369,669 4.317,670 6.099,671 0.585,672 303.44,673 3.219,674 4.727,675 5.565,676 6.438,677 7.31,678 8.203,679 9.095,680 9.999,681 10.903,682 11.815,683 2.1,693 1,699 4,700 1,704 1,706 6,724 47,726 7,728 24,730 49,731 18,733 5,739 3,740 4,748 4,749 2,751 10,753 6,754 12,755 2,756 1,761 1,765 1,768 1,769 1,772 25,773 4,774 1,775 4,779 1,784 0.667,785 3,790 2,795 1,801 2,802 2,818 1,830 1,831 1,832 2,840 22,845 1,846 8,848 1,850 4,862 6.4,864 1,865 1,866 1,869 11,870 7.9,871 4.944,872 3.267,874 1.059,875 1.156,876 0.916,877 5.222,878 7.858,879 3.367,880 3.773,881 4.139,882 4.586,883 4.964,884 4.948,885 5.213,886 5.422,887 5.499,888 5.518,889 0.857,890 27,891 8.204,893 3.498,894 7.689,895 16.272,897 14.121,899 2.189,900 48.167,901 0.001,904 282.506,905 61.419,906 16.786,908 78.828,911 61.419,912 361.335,913 16.786,915 20.276,916 18.952,917 120.066,918 21.28,920 258.964,922 282.506,923 78.205,924 78.828,927 211.88,928 138.455,929 11,931 38.371,932 23.048,933 16.786,935 282.506,936 95.614,937 61.419,940 282.506,941 24.372,942 37.047,944 95.614,945 282.506,946 95.614,947 61.419,949 0.562,950 0.311,951 0.177,952 0.095,953 15,954 6,955 0.163,956 8,957 2,958 1.231,959 3.58,960 164.42,961 0.308,962 12,963 98.107,968 15.641,969 7.345,970 3.759,972 95.614,973 8.023,974 4.273,978 1.325,980 42.683,981 439.539,982 28,987 10.505,991 -0.682,994 46.687,995 53.109,996 0.25,997 0.54,998 0.739,999 0.887,1000 0.939,1001 0.939,1002 4.6,1003 1,1004 5.517,1005 2.9,1006 4.174,1007 4.454,1008 2.402,1009 6.315,1010 4.124,1011 5.708,1012 1,1013 7.054,1014 2.162,1015 3.611,1016 3.922,1017 2.243,1018 7.239,1019 3.537,1020 6.955,1021 0.648,1022 8.704,1023 2.136,1024 5.72,1025 6.298,1026 3.657,1027 10.414,1028 5.624,1029 8.233,1030 0.333,1031 10.429,1032 1.594,1033 6.089,1034 6.587,1035 4.112,1036 12.311,1037 5.958,1038 9.553,1039 -0.185,1040 12.206,1041 0.77,1042 7.623,1043 8.463,1044 5.206,1045 15,1046 7.476,1047 10.9,1048 -0.661,1049 14.021,1050 -0.454,1051 8.447,1052 9.139,1053 5.889,1054 17.262,1055 8.263,1056 12.27,1057 -0.926,1058 15.864,1059 -1.49,1060 9.757,1061 10.799,1062 6.849,1063 19.8,1064 9.555,1065 3.291,1066 -1,1067 17.729,1068 -2,1069 10.793,1070 11.684,1071 7.625,1072 22.193,1073 10.556,1074 2.461,1075 11.766,1076 19.609,1077 -2.232,1078 12.021,1079 13.225,1080 8.526,1081 24.682,1082 11.761,1083 2.236,1084 7.759,1085 21.501,1086 3.635,1087 13.148,1088 14.24,1089 9.342,1090 27.121,1091 12.857,1092 2.021,1093 6.194,1094 23.403,1095 3.014,1096 14.347,1097 15.705,1098 10.216,1099 29.594,1100 14.033,1101 1.763,1102 5.184,1103 25.312,1104 2.71,1105 15.512,1106 16.805,1107 11.051,1108 32.05,1109 15.168,1110 1.64,1111 4.727,1112 27.228,1113 2.16,1114 16.704,1115 18.217,1116 11.912,1117 34.518,1118 16.334,1119 1.268,1120 3.45,1121 29.147,1122 2.013,1123 17.883,1124 19.376,1125 12.755,1126 36.98,1127 17.486,1128 5201,1129 8268,1130 16.296,1131 29.506,1132 35.434,1133 36.105,1134 36.065,1135 35.302,1136 35.322,1137 40.578,1138 6.402,1139 97.285,1140 34.377,1141 5.352,1142 5.596,1143 6.768,1144 5.309,1145 5.291,1146 6.635,1147 3.925,1148 18.961,1149 5.205,1150 8.903,1151 1.476,1152 1.504,1153 1.503,1154 1.471,1155 1.472,1156 1.691,1157 0.267,1158 4.054,1159 1.432,1160 4.048,1161 4.08,1162 3.966,1163 3.943,1164 7.474,1165 3.943,1166 3.779,1167 3.829,1168 3.688,1169 3.661,1170 6.351,1171 3.659,1172 3.742,1173 3.79,1174 3.612,1175 3.601,1176 4.906,1177 3.594,1178 3.522,1179 3.569,1180 3.385,1181 3.346,1182 4.657,1183 3.343,1184 3.233,1185 3.287,1186 3.067,1187 3.037,1188 4.132,1189 3.034,1190 3.034,1191 3.099,1192 2.875,1193 2.886,1194 3.842,1195 2.876,1196 2.877,1197 2.949,1198 2.671,1199 2.664,1200 3.798,1201 2.659,1202 2.762,1203 2.848,1204 2.619,1205 2.565,1206 3.654,1207 2.564,1208 0.181,1209 0.15,1210 0.289,1211 0.178,1212 0.137,1213 4.352,1214 0.151,1215 3.596,1216 0.098,1217 6.944,1218 0.49,1219 4.265,1220 0.134,1221 3.291,1222 3.635,1223 2.341,1224 11.766,1225 3.205,1226 1.929,1227 1.892,1228 2.088,1229 2.037,1230 1.511,1231 2.054,1232 1.774,1233 1.722,1234 1.988,1235 1.931,1236 1.338,1237 1.952,1238 1.668,1239 1.617,1240 1.864,1241 1.825,1242 1.087,1243 1.842,1244 1.486,1245 1.43,1246 1.755,1247 1.69,1248 1.002,1249 1.709,1250 1.253,1251 1.217,1252 1.511,1253 1.516,1254 0.818,1255 1.503,1256 1.187,1257 1.13,1258 1.443,1259 1.423,1260 0.703,1261 1.431,1262 0.964,1263 0.907,1264 1.272,1265 1.226,1266 0.514,1267 1.241,1268 0.765,1269 0.693,1270 1.083,1271 1.021,1272 0.233,1273 1.046,1274 3.892,1276 5.176,1277 3.045,1278 6.661,1279 5.416,1280 8.253,1281 7.535,1282 9.916,1289 8.652,1290 7.989,1292 6.156,1294 1.925,1300 27.487,1301 65.156,1302 140.976,1303 193.008,1304 231.556,1305 245.066,1306 245.066,1307 40.725,1308 6.799,1309 59.42,1310 59.42,1311 16,1312 12.332,1313 3,1314 2.322,1315 34.671,1316 76,1317 90,1318 0.216,1319 168.326,1320 298.79,1321 402.475,1322 7413,1324 15.364,1325 0.698,1326 0.59,1327 15.364,1328 12.987,1329 10.754,1330 0.448,1331 0.355,1332 8.448,1333 10.413,1334 8.326,1335 6.842,1336 10.754,1337 8.527,1338 9.358,1339 0.292,1340 0.207,1341 9.358,1342 6.613,1343 7.421,1344 0.177,1345 0.123,1346 7.421,1347 5.172,1348 6.423,1349 0.111,1350 0.072,1351 6.423,1352 4.186,1353 4.951,1354 0.072,1355 0.044,1356 4.951,1357 3.016,1358 0.342,1359 66.995,1360 0.248,1361 22.08,1362 0.579,1363 112,1364 293.266,1365 122.023,1366 275.725,1367 366.05,1368 258,1369 130,1370 255.234,1371 138.808,1372 254.146,1373 370.35,1374 241,1375 5.699} {0 CHEMBL52471,1 1.624,2 8.792,3 2.614,4 6.834,5 95.029,6 7.653,7 0.615,8 3.887,9 4.001,10 3.652,11 3.514,12 4.94,13 3.431,14 4.427,15 4.584,16 3.867,17 3.883,18 5.776,19 3.792,20 4.688,21 4.895,22 3.832,23 4,24 5.692,25 3.89,26 4.741,27 4.964,28 3.816,29 4.048,30 5.664,31 3.917,32 4.773,33 4.988,34 3.793,35 4.077,36 5.708,37 3.931,38 4.867,39 5.127,40 3.732,41 4.068,42 5.773,43 3.879,44 4.743,45 5.016,46 3.691,47 3.959,48 5.614,49 3.734,50 4.566,51 4.828,52 3.691,53 3.763,54 5.624,55 3.542,56 0.12,57 0.643,58 12.531,59 5.151,60 24.256,61 5.539,62 0.402,63 1.042,64 20.708,65 8.412,66 81.023,67 9.669,68 0.295,69 1.264,70 26.145,71 9.996,72 56.004,73 12.301,74 0.304,75 1.355,76 27.448,77 10.528,78 43.656,79 13.372,80 0.226,81 1.385,82 27.956,83 11.138,84 44.321,85 14.481,86 0.436,87 1.446,88 31.544,89 12.163,90 57.446,91 16.234,92 0.171,93 1.285,94 29.279,95 11.721,96 35.579,97 14.842,98 0.147,99 1.036,100 26.751,101 10.522,102 36.195,103 11.857,104 22,105 37,106 0.28,107 0.618,108 0.792,109 0.874,110 0.882,111 0.882,112 3.229,113 1.13,114 -3.24,115 -3.23,116 -3.09,118 40,119 1,120 2,124 2,140 6,141 3,143 2,150 2,163 1,167 2,168 9,172 7,175 2,176 1,180 8,181 1,186 7,191 2,194 8,195 1,197 1,198 4,203 2,206 12,210 2,211 1,218 15,221 1,222 3,225 2,229 10,234 3,242 4,243 4,247 4,252 8,256 4,259 4,260 1,264 8,268 2,270 900,271 15.897,272 15.897,273 15.897,274 15.897,275 15.897,276 13.771,277 7.169,278 9.468,279 16.056,280 12.861,281 12.861,282 12.861,283 12.861,284 12.861,285 9.672,286 5.888,287 4.491,288 13.128,289 3.868,290 1.901,291 0.895,292 0.417,293 0.372,294 0.372,295 3.907,298 1,299 1,300 1,301 444,302 3.606,305 50.486,306 128.24,309 97.284,313 1.243,314 23.837,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 51.667,326 211,327 4.783,328 3.432,329 7.113,330 4.34,331 3.371,332 4.741,334 12.34,335 3.269,336 4.377,337 3.098,338 6.394,339 4.098,340 3.098,341 3.716,343 9.951,344 3.098,345 3.994,346 2.576,347 6.073,348 3.565,349 2.576,350 3.596,352 8.616,353 2.548,354 3.482,355 2.3,356 5.602,357 3.096,358 2.138,359 2.843,361 6.91,362 2.044,363 3.39,364 1.984,365 4.932,366 2.907,367 1.927,368 2.793,370 5.25,371 1.887,372 2.915,373 1.533,374 3.882,375 2.506,376 1.519,377 2.106,379 3.306,380 1.499,381 2.676,382 1.429,383 3.68,384 2.412,385 1.427,386 1.727,388 3.045,389 1.404,390 2.542,391 1.171,392 3.572,393 2.117,394 1.135,395 1.55,397 2.672,398 1.113,399 2.5,400 1.024,401 3.543,402 1.956,403 1,404 1.5,406 2.301,407 0.953,408 2.296,409 1,410 3.247,411 1.935,412 0.944,413 1.236,415 2.136,416 0.934,417 1.567,418 0.499,419 3.161,420 1.407,421 0.423,422 0.467,424 0.998,425 0.415,426 1.066,427 -0.022,428 2.81,429 0.807,430 -0.171,431 -0.195,433 -0.429,434 -0.167,435 0.792,436 -0.464,437 2.376,438 0.414,439 -0.569,440 -0.702,442 -1.395,443 -0.558,444 0.644,445 -0.76,446 2.191,447 0.163,448 -0.814,449 -1,451 -1.867,452 -0.786,453 0.622,454 -0.871,455 2.1,456 0.112,457 -0.872,458 -1.031,460 -2.1,461 -0.861,462 11.8,463 0.492,464 0.7,465 0.029,466 30.5,467 1.271,468 15.5,469 0.646,470 15,471 0.625,472 20.349,473 0.848,474 26,475 0.578,476 21.38,477 0.891,478 5.641,479 0.235,480 5.831,481 0.243,482 0.127,483 0.085,484 0.246,487 1.042,488 1.286,489 0.846,490 1.364,491 0.943,492 0.97,493 0.481,494 1.167,495 1.061,496 1.204,497 0.358,498 1,499 1.067,500 1.005,501 0.954,502 0.84,503 1.037,504 0.949,505 0.833,506 0.914,507 0.96,508 0.845,509 0.699,510 0.998,511 0.735,512 1.171,513 0.995,514 1.028,515 0.698,516 1.199,517 0.574,518 0.888,519 0.812,520 0.742,521 0.634,522 1.031,523 0.502,524 0.992,525 0.796,526 0.882,527 0.473,528 1.024,529 0.838,530 1.002,531 0.881,532 1.057,533 0.89,534 0.95,535 4.5,536 0.099,537 2.444,538 2.549,539 1.303,540 0.66,541 0.385,542 0.339,543 0.44,544 0.18,545 5761,546 17215,547 2.03,548 46.7,549 3,550 10,552 2,553 2,555 4,558 1.675,559 1.882,560 3.082,561 0.296,562 1,563 1,565 1,567 73.081,568 1.624,569 3.59,570 4.597,571 5.075,572 5.12,573 5.12,574 2.507,575 4.22,576 4.551,577 3.301,578 911.18,579 7.888,580 10648.5,582 1,584 1,585 247.133,586 1.601,587 4.498,588 0.173,589 0.01,590 0.066,591 0.071,592 0.037,593 0.02,594 0.013,595 0.014,596 0.019,597 0.009,598 0.433,599 0.33,600 1,601 1.577,602 112.785,603 -0.255,604 -0.105,605 0.221,606 -0.091,607 -0.226,608 0.044,609 0.404,610 -0.047,611 -0.071,612 -0.111,613 0.46,614 -0.02,615 -0.15,616 0.009,617 -0.099,618 0.024,619 -0.144,620 0.014,621 -0.097,622 0.12,623 -0.124,624 0.003,625 -0.071,626 -0.029,627 -0.088,628 -0.172,629 -0.181,630 -0.17,631 -0.086,632 -0.207,633 0.072,634 0.058,635 -0.006,636 0.044,637 -0.031,638 -0.042,639 0.05,640 -0.051,641 0.118,642 0.039,643 0.04,644 -0.007,645 0.075,646 -0.075,647 0.223,648 0.051,649 0.06,650 0.063,651 4.725,652 4.027,653 0.625,654 20.417,655 1,656 1.122,657 2.005,658 4.021,659 0.682,660 3.296,661 3.638,662 3.871,663 4.19,664 4.419,665 4.477,666 4.625,667 4.718,668 4.691,669 4.595,670 5.558,671 0.631,672 344.38,673 3.296,674 4.844,675 5.687,676 6.589,677 7.463,678 8.376,679 9.268,680 10.187,681 11.09,682 12.011,683 4.4,691 1,693 1,698 2,699 8,700 1,704 3,705 1,706 16,724 45,726 17,727 1,728 26,730 47,731 18,733 13,734 2,735 4,739 3,740 4,745 1,751 2,753 13,754 5,756 1,761 1,767 1,768 1,769 1,772 21,773 4,774 2,775 6,776 1,779 2,784 0.667,785 3,791 1,792 1,795 1,797 1,801 1,802 2,805 1,830 2,832 2,836 1,840 24,845 2,846 4,862 6.7,863 2,865 1,869 12.75,870 8.083,871 5.208,872 2.686,873 1,874 3.199,875 1.457,876 0.974,877 4.981,878 10.206,879 3.584,880 4.23,881 4.813,882 5.482,883 6.05,884 6.384,885 6.859,886 7.271,887 7.47,888 7.687,889 0.833,890 36,891 9.113,893 4.09,894 7.881,895 17.096,897 14.368,899 2.381,900 57.139,903 1,904 224.899,905 104.797,906 18.685,908 94.527,910 1.248,911 104.797,912 318.178,913 18.685,914 8.825,915 7.175,916 132.369,917 60.591,918 28.938,919 4.901,920 200.109,922 223.651,923 123.482,924 94.527,925 1.248,927 176.567,928 67.348,929 74.264,931 35.994,932 70.702,933 18.033,935 223.651,936 113.212,937 104.797,938 1.248,939 1.248,940 223.651,941 21.02,942 85.677,944 111.312,945 223.651,946 113.212,947 106.045,949 0.582,950 0.317,951 0.181,952 0.103,953 18,954 8,955 0.128,956 6,957 1,958 1.133,959 3.524,960 195.704,961 0.133,962 15,963 106.039,968 17.07,969 7.003,970 3.849,971 2.344,972 111.312,973 15.813,974 4.226,978 3.384,979 2.237,980 74.264,981 442.908,982 35,987 11.027,993 -3.919,994 44.996,995 50.501,996 0.296,997 0.654,998 0.837,999 0.924,1000 0.932,1001 0.932,1002 4.82,1003 1.135,1004 5.714,1005 3.045,1006 4.317,1007 4.916,1009 6.586,1010 4.278,1011 6.068,1012 1,1013 7.311,1014 2.672,1015 4.111,1016 4.924,1018 7.811,1019 4.063,1020 7.418,1021 0.944,1022 9.025,1023 2.301,1024 6.009,1025 7.232,1027 10.856,1028 5.932,1029 8.812,1030 0.423,1031 10.808,1032 2.136,1033 6.621,1034 8.069,1036 12.867,1037 6.534,1038 10.241,1039 -0.171,1040 12.633,1041 0.998,1042 8.052,1043 9.899,1045 15.516,1046 7.939,1047 11.695,1048 -0.569,1049 14.485,1050 -0.429,1051 9.006,1052 11.115,1054 17.817,1055 8.876,1056 13.169,1057 -0.814,1058 16.356,1059 -1.395,1060 10.274,1061 12.763,1063 20.353,1064 10.119,1065 3.371,1066 -0.872,1067 18.24,1068 -1.867,1069 11.368,1070 14.159,1072 22.771,1073 11.191,1074 3.098,1075 12.34,1076 20.135,1077 -2.1,1078 12.581,1079 15.739,1081 25.277,1082 12.379,1083 2.576,1084 9.951,1085 22.038,1086 4.741,1087 13.732,1088 17.219,1090 27.743,1091 13.506,1092 2.138,1093 8.616,1094 23.948,1095 3.716,1096 14.929,1097 18.776,1099 30.244,1100 14.677,1101 1.927,1102 6.91,1103 25.865,1104 3.596,1105 16.106,1106 20.295,1108 32.733,1109 15.826,1110 1.519,1111 5.25,1112 27.786,1113 2.843,1114 17.3,1115 21.846,1117 35.236,1118 16.992,1119 1.427,1120 3.306,1121 29.713,1122 2.793,1123 18.488,1124 23.383,1126 37.735,1127 18.152,1128 5744,1129 10026,1130 16.989,1131 30.671,1132 39.427,1133 39.183,1134 39.782,1135 39.101,1136 39.115,1137 52.551,1139 115.052,1140 38.329,1141 5.692,1142 5.432,1143 6.915,1144 5.376,1145 5.371,1146 7.741,1148 19.844,1149 5.269,1150 12.44,1151 1.516,1152 1.507,1153 1.53,1154 1.504,1155 1.504,1156 2.021,1158 4.425,1159 1.474,1160 4.172,1161 4.204,1162 4.436,1163 4.093,1164 7.468,1165 4.098,1166 3.808,1167 3.849,1168 4.136,1169 3.947,1170 6.435,1171 3.718,1172 3.781,1173 3.81,1174 3.746,1175 3.716,1176 6.23,1177 3.657,1178 3.5,1179 3.543,1180 3.43,1181 3.409,1182 4.975,1183 3.354,1184 3.365,1185 3.419,1186 3.257,1187 3.272,1188 4.816,1189 3.224,1190 3.091,1191 3.165,1192 2.946,1193 2.917,1194 4.27,1195 2.891,1196 2.832,1197 2.906,1198 2.678,1199 2.714,1200 4.023,1201 2.696,1202 2.793,1203 2.87,1204 2.602,1205 2.643,1206 3.817,1207 2.613,1208 0.184,1209 0.132,1210 0.274,1211 0.167,1212 0.13,1213 4.783,1214 0.182,1215 3.432,1217 7.113,1218 0.475,1219 4.34,1220 0.126,1221 3.371,1222 4.741,1224 12.34,1225 3.269,1226 1.945,1227 1.92,1228 2.047,1229 2.047,1230 1.348,1231 2.049,1232 1.884,1233 1.849,1234 1.994,1235 1.989,1236 1.174,1237 1.996,1238 1.745,1239 1.706,1240 1.901,1241 1.853,1242 1.083,1243 1.91,1244 1.53,1245 1.485,1246 1.696,1247 1.668,1248 0.88,1249 1.715,1250 1.352,1251 1.304,1252 1.52,1253 1.496,1254 0.742,1255 1.571,1256 1.072,1257 1.014,1258 1.234,1259 1.281,1260 0.443,1261 1.324,1262 0.851,1263 0.791,1264 1.111,1265 1.055,1266 0.257,1267 1.099,1268 0.82,1269 0.745,1270 1.082,1271 1.006,1272 0.178,1273 1.045,1274 3.97,1276 5.303,1277 2.398,1278 6.828,1279 4.949,1280 8.441,1281 7.222,1282 10.106,1284 2.108,1289 18.039,1290 1.88,1300 28.379,1301 73.081,1302 161.57,1303 206.869,1304 228.379,1305 230.379,1306 230.379,1307 40.847,1308 7.007,1309 75.35,1310 85.16,1311 17,1312 12.523,1313 4.17,1314 3.322,1315 39.028,1316 75,1317 82,1318 0.248,1319 180.267,1320 299.9,1321 431.611,1322 9202,1324 17.156,1325 0.715,1326 0.604,1327 17.406,1328 14.486,1329 11.472,1330 0.441,1331 0.377,1332 8.078,1333 10.399,1334 7.709,1335 6.403,1336 12.399,1337 9.798,1338 10.917,1339 0.295,1340 0.21,1341 12.322,1342 7.756,1343 8.11,1344 0.173,1345 0.109,1346 8.573,1347 5.139,1348 7.073,1349 0.109,1350 0.059,1351 7.401,1352 3.807,1353 5.817,1354 0.071,1355 0.032,1356 6.041,1357 2.61,1358 0.378,1359 79.711,1360 0.243,1361 23.14,1362 0.713,1363 126,1364 352.938,1365 164.858,1366 358.327,1367 484.16,1368 330,1369 147,1370 331.168,1371 191.856,1372 365.341,1373 531.95,1374 343,1375 7} {0 CHEMBL52568,1 1.443,2 14.613,3 3.987,4 15.895,5 119.761,6 6.457,7 0.344,8 4.257,9 4.38,10 3.677,11 3.695,12 5.285,13 3.661,14 4.835,15 5.029,16 3.959,17 4.064,18 5.824,19 3.998,20 5.079,21 5.296,22 3.972,23 4.21,24 6.01,25 4.092,26 5.246,27 5.514,28 3.841,29 4.195,30 6.116,31 4.044,32 5.139,33 5.417,34 3.806,35 4.119,36 5.914,37 3.969,38 5.074,39 5.343,40 3.794,41 4.089,42 5.876,43 3.947,44 5.036,45 5.298,46 3.78,47 4.1,48 5.83,49 3.957,50 5.072,51 5.344,52 3.781,53 4.092,54 5.878,55 3.952,56 0.03,57 0.882,58 16.154,59 6.522,60 12.869,61 8.961,62 0.444,63 1.351,64 29.851,65 10.213,66 57.375,67 14.436,68 0.477,69 1.599,70 37.823,71 13.214,72 51.38,73 18.84,74 0.735,75 1.661,76 45.421,77 13.92,78 91.682,79 20.491,80 0.544,81 1.537,82 40.347,83 12.819,84 58.658,85 19.067,86 0.63,87 1.482,88 37.9,89 11.978,90 58.038,91 17.857,92 0.393,93 1.489,94 36.031,95 11.948,96 48.944,97 17.757,98 0.484,99 1.506,100 37.659,101 11.731,102 54.004,103 17.729,104 38,105 41,106 0.232,107 0.544,108 0.773,109 0.837,110 0.86,111 0.86,112 3.47,113 1.024,114 -3.6,115 -3.57,116 -3.4,118 35.8,119 2,120 5,122 1,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 11,169 1,171 1,172 5,175 1,177 1,180 11,181 3,185 2,186 8,191 3,194 7,195 1,197 1,198 5,203 1,206 4,207 1,209 1,210 5,215 1,218 3,219 1,221 2,222 7,227 1,229 2,230 1,234 9,239 1,242 1,247 8,248 1,255 3,258 2,259 5,262 1,267 5,270 2238,271 20.637,272 20.637,273 20.637,274 20.637,275 20.637,276 19.123,277 23.319,278 12.643,279 21.255,280 15.722,281 15.722,282 15.722,283 15.722,284 15.722,285 13.48,286 26.233,287 5.941,288 16.598,289 4.623,290 2.685,291 1.257,292 0.862,293 0.72,294 0.72,295 4.137,299 1,300 1,301 918,302 5.05,305 114.326,306 133.223,313 2.375,314 30.19,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68,326 453,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.635,333 2.341,334 11.924,335 3.327,336 4.035,337 3.016,338 5.584,339 3.632,340 2.687,341 3.522,342 1.151,343 7.703,344 2.582,345 3.956,346 2.907,347 5.479,348 3.586,349 2.641,350 3.49,351 0.86,352 7.335,353 2.45,354 3.496,355 2.66,356 5.113,357 3.19,358 2.278,359 2.767,360 0.86,361 6.29,362 2.078,363 3.381,364 2.576,365 5.042,366 3.11,367 2.171,368 2.434,370 6.115,371 2.021,372 2.902,373 2.49,374 4.405,375 2.806,376 1.814,377 1.888,379 3.752,380 1.797,381 2.745,382 1.982,383 3.812,384 2.47,385 1.479,386 1.72,388 3.33,389 1.445,390 2.581,391 1.747,392 3.508,393 2.213,394 1.27,395 1.605,397 2.73,398 1.188,399 2.5,400 1.458,401 3.454,402 2.142,403 1.235,404 1.5,406 2.663,407 1.111,408 2.344,409 1.218,410 3.414,411 2,412 1.021,413 1.333,415 2.275,416 1,417 2.132,418 1.113,419 3.259,420 1.925,421 1,422 1.109,424 2.213,425 0.912,426 2.118,427 1,428 3,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.698,436 0.802,437 2.951,438 1.538,439 0.608,440 0.64,442 1.254,443 0.557,444 1.577,445 0.618,446 2.788,447 1.391,448 0.505,449 0.537,451 0.854,452 0.444,453 1.088,454 0.463,455 2.549,456 0.898,457 -0.028,458 -0.029,460 -0.057,461 -0.025,462 14.467,463 0.467,464 0.683,465 0.022,466 31.25,467 1.008,468 12,469 0.387,470 19.25,471 0.621,472 32.853,473 1.06,474 37.133,475 0.554,476 22.879,477 0.738,478 6.026,479 0.194,480 8.877,481 0.286,482 0.15,483 0.035,484 0.166,487 0.858,488 1.575,489 0.94,490 1.415,491 0.759,492 1.222,493 1.135,494 1.044,495 1.036,496 1.029,497 0.624,498 1.012,499 0.957,500 1.243,501 1.114,502 1.289,503 0.807,504 1.241,505 1.268,506 0.908,507 1.08,508 0.941,509 1.526,510 0.978,511 0.978,512 0.937,513 0.924,514 0.943,515 0.765,516 0.93,517 0.952,518 0.912,519 0.961,520 0.918,521 0.781,522 0.937,523 0.91,524 1.078,525 0.988,526 1.05,527 0.799,528 1.036,529 1.016,530 0.963,531 0.982,532 0.929,533 0.826,534 0.941,535 6.5,536 0.188,537 2.889,538 1.097,539 0.737,540 0.591,541 0.335,542 0.266,543 0.214,544 0.175,545 14323,546 37390,547 1.952,548 53.7,549 14,550 16,551 1,552 2,553 1,555 2,558 1.735,559 1.833,560 3.796,561 -0.361,567 96.662,568 1.443,569 3.382,570 4.809,571 5.204,572 5.346,573 5.346,574 3.284,575 4.567,576 4.924,577 4.042,578 1879.48,579 8.592,580 30390,585 406.428,586 1.417,587 4.879,588 0.203,589 0.006,590 0.07,591 0.029,592 0.023,593 0.018,594 0.01,595 0.008,596 0.007,597 0.005,598 0.381,599 0.33,600 0.88,601 2.118,602 167.678,603 -0.021,604 -0.239,605 0.045,606 -0.137,607 -0.033,608 -0.05,609 -0.036,610 0.1,611 -0.016,612 0.057,613 0.126,614 0.029,615 0.02,616 -0.182,617 -0.13,618 -0.216,619 0.029,620 -0.202,621 -0.121,622 0.006,623 -0.076,624 0.002,625 -0.176,626 -0.027,627 -0.024,628 -0.01,629 0.05,630 0.013,631 -0.016,632 0.04,633 0.016,634 0.051,635 0.02,636 0.045,637 -0.01,638 0.035,639 -0.062,640 -0.079,641 -0.027,642 -0.047,643 -0.053,644 -0.033,645 -0.092,646 0.015,647 -0.005,648 0.031,649 -0.061,650 0.031,651 2.396,652 4.155,653 0.355,654 39.567,655 0.998,656 1.136,657 2.365,658 5.594,659 0.615,660 3.497,661 3.738,662 3.85,663 3.871,664 3.912,665 3.912,666 3.912,667 3.892,668 3.951,669 4.043,670 8.833,671 0.576,672 432.62,673 3.497,674 4.99,675 5.771,676 6.586,677 7.383,678 8.199,679 9.001,680 9.817,681 10.621,682 11.438,683 3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 67,726 12,727 1,728 32,730 68,731 24,733 9,734 2,735 4,739 2,740 2,745 2,746 1,751 6,753 10,754 14,756 1,761 1,765 1,772 36,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 3,840 31,845 1,846 9,848 3,850 1,852 1,862 7.5,864 1,865 1,866 2,867 1,869 16.917,870 12.433,871 7.125,872 4.035,874 1.4,875 1.208,876 0.88,877 11.062,878 8.115,879 3.676,880 4.107,881 4.462,882 4.774,883 4.973,884 4.92,885 4.938,886 4.891,887 5.062,888 5.304,889 0.9,890 38,891 11.5,893 4.602,894 7.745,895 22.178,897 17.326,899 2.245,900 69.583,904 411.989,905 131.046,906 18.685,908 100.828,911 131.046,912 512.817,913 18.685,914 28.533,915 28.556,916 46.952,917 139.684,918 30.375,919 11.771,920 376.675,922 411.989,923 149.731,924 100.828,927 388.446,928 102.37,929 22,931 65.771,932 67.174,933 16.786,935 411.989,936 119.513,937 131.046,940 411.989,941 37.894,942 95.051,944 117.613,945 411.989,946 119.513,947 131.046,949 0.564,950 0.313,951 0.136,952 0.065,953 14,954 7,955 0.235,956 16,958 1,959 4.42,960 234.255,962 11,963 147.58,968 25.378,969 13.512,970 9.854,972 117.613,973 13.305,974 4.095,978 1.919,979 1.995,980 42.683,981 662.547,982 38.5,987 11.155,991 -0.729,994 66.861,995 76.102,996 0.238,997 0.557,998 0.793,999 0.858,1000 0.881,1001 0.881,1002 4.881,1003 1.27,1004 5.74,1005 3.33,1006 4.419,1007 4.792,1008 2.719,1009 6.466,1010 4.324,1011 6.026,1012 1.235,1013 7.263,1014 2.73,1015 4.007,1016 4.425,1017 2.243,1018 7.588,1019 3.927,1020 7.293,1021 1.021,1022 8.911,1023 2.663,1024 5.989,1025 6.765,1026 3.769,1027 10.496,1028 5.839,1029 8.598,1030 1,1031 10.642,1032 2.275,1033 6.463,1034 7.232,1035 4.112,1036 12.533,1037 6.347,1038 9.94,1039 0.618,1040 12.434,1041 2.213,1042 7.907,1043 9.033,1044 5.235,1045 15.078,1046 7.75,1047 11.307,1048 0.608,1049 14.269,1050 1.372,1051 8.775,1052 9.862,1053 5.889,1054 17.42,1055 8.655,1056 12.693,1057 0.505,1058 16.137,1059 1.254,1060 10.033,1061 11.433,1062 6.856,1063 19.902,1064 9.898,1065 3.331,1066 -0.028,1067 18.031,1068 0.854,1069 11.078,1070 12.442,1071 7.625,1072 22.337,1073 10.973,1074 2.687,1075 11.924,1076 19.944,1077 -0.057,1078 12.278,1079 13.896,1080 8.527,1081 24.812,1082 12.171,1083 2.641,1084 7.703,1085 21.872,1086 3.635,1087 13.403,1088 15.004,1089 9.342,1090 27.277,1091 13.317,1092 2.278,1093 7.335,1094 23.811,1095 3.522,1096 14.589,1097 16.393,1098 10.216,1099 29.753,1100 14.508,1101 2.171,1102 6.29,1103 25.758,1104 3.49,1105 15.751,1106 17.559,1107 11.051,1108 32.226,1109 15.683,1110 1.814,1111 6.115,1112 27.713,1113 2.767,1114 16.938,1115 18.908,1116 11.912,1117 34.704,1118 16.876,1119 1.479,1120 3.752,1121 29.672,1122 2.434,1123 18.119,1124 20.11,1125 12.755,1126 37.18,1127 18.065,1128 14415,1129 23396,1130 20.742,1131 41.228,1132 46.055,1133 46.721,1134 46.28,1135 45.267,1136 45.315,1137 54.216,1138 10.423,1139 119.617,1140 42.978,1141 5.381,1142 5.979,1143 7.059,1144 5.41,1145 5.331,1146 6.635,1147 3.925,1148 18.454,1149 5.327,1150 17.652,1151 1.439,1152 1.46,1153 1.446,1154 1.415,1155 1.416,1156 1.694,1157 0.326,1158 3.738,1159 1.343,1160 3.967,1161 4.02,1162 3.895,1163 3.855,1164 7.474,1165 3.856,1166 3.903,1167 3.938,1168 3.842,1169 3.745,1170 6.351,1171 3.757,1172 3.845,1173 3.891,1174 3.733,1175 3.703,1176 4.962,1177 3.711,1178 3.678,1179 3.727,1180 3.548,1181 3.518,1182 4.876,1183 3.513,1184 3.539,1185 3.583,1186 3.405,1187 3.339,1188 4.646,1189 3.35,1190 3.338,1191 3.392,1192 3.19,1193 3.122,1194 4.46,1195 3.121,1196 3.259,1197 3.329,1198 3.08,1199 3.051,1200 4.262,1201 3.05,1202 3.077,1203 3.151,1204 2.893,1205 2.824,1206 4.224,1207 2.815,1208 0.138,1209 0.124,1210 0.225,1211 0.135,1212 0.104,1213 4.406,1214 0.114,1215 3.979,1216 0.073,1217 7.206,1218 0.373,1219 4.332,1220 0.104,1221 3.331,1222 3.635,1223 2.341,1224 11.924,1225 3.327,1226 1.9,1227 1.878,1228 2.057,1229 2.009,1230 1.406,1231 2.016,1232 1.835,1233 1.788,1234 2.016,1235 1.988,1236 1.224,1237 2.005,1238 1.711,1239 1.662,1240 1.924,1241 1.928,1242 1.172,1243 1.923,1244 1.629,1245 1.569,1246 1.853,1247 1.82,1248 1.122,1249 1.839,1250 1.374,1251 1.319,1252 1.645,1253 1.629,1254 0.896,1255 1.621,1256 1.308,1257 1.242,1258 1.596,1259 1.561,1260 0.699,1261 1.579,1262 1.281,1263 1.218,1264 1.54,1265 1.525,1266 0.607,1267 1.522,1268 1.193,1269 1.119,1270 1.453,1271 1.479,1272 0.546,1273 1.492,1274 4.174,1276 5.434,1277 2.398,1278 6.86,1279 4.443,1280 8.359,1281 6.26,1282 9.897,1284 5.219,1289 9.172,1290 6.981,1292 17.174,1294 -0.057,1296 -0.645,1300 38.572,1301 96.662,1302 226.561,1303 322.189,1304 348.654,1305 358.163,1306 358.163,1307 88.683,1308 6.715,1309 82.81,1310 82.81,1311 11,1312 12.024,1313 3.7,1314 2.907,1315 73.155,1316 156,1317 167,1318 0.207,1319 242.205,1320 427.35,1321 582.741,1322 7194,1324 22.529,1325 0.727,1326 0.612,1327 22.529,1328 18.957,1329 14.903,1330 0.466,1331 0.341,1332 10.728,1333 14.167,1334 10.365,1335 8.697,1336 14.903,1337 10.919,1338 12.928,1339 0.315,1340 0.207,1341 12.928,1342 8.469,1343 9.906,1344 0.215,1345 0.116,1346 9.906,1347 5.334,1348 6.554,1349 0.139,1350 0.068,1351 6.554,1352 3.193,1353 4.519,1354 0.092,1355 0.04,1356 4.519,1357 1.984,1358 0.341,1359 94.709,1360 0.22,1361 30.305,1362 0.527,1363 146,1364 456.382,1365 163.253,1366 421.285,1367 548.96,1368 394,1369 160,1370 369.324,1371 177.646,1372 375.03,1373 531.8,1374 345,1375 4.699} {0 CHEMBL52858,1 1.495,2 13.536,3 2.651,4 7.029,5 106.084,6 6.733,7 0.379,8 4.127,9 4.243,10 3.585,11 3.555,12 5.186,13 3.536,14 4.69,15 4.874,16 3.826,17 3.893,18 5.738,19 3.84,20 4.903,21 5.128,22 3.765,23 3.991,24 5.806,25 3.88,26 4.954,27 5.209,28 3.712,29 3.975,30 5.783,31 3.846,32 4.944,33 5.201,34 3.709,35 3.939,36 5.784,37 3.819,38 4.904,39 5.16,40 3.697,41 3.92,42 5.759,43 3.802,44 4.859,45 5.105,46 3.682,47 3.933,48 5.71,49 3.813,50 4.901,51 5.16,52 3.681,53 3.945,54 5.804,55 3.818,56 0.039,57 0.768,58 13.571,59 5.502,60 11.112,61 7.438,62 0.455,63 1.152,64 25.584,65 8.45,66 52.916,67 11.811,68 0.591,69 1.294,70 32.054,71 10.563,72 54.801,73 15.035,74 0.508,75 1.312,76 33.854,77 10.801,78 54.114,79 15.803,80 0.545,81 1.275,82 33.781,83 10.396,84 56.09,85 15.271,86 0.643,87 1.251,88 32.516,89 9.863,90 57.1,91 14.615,92 0.405,93 1.257,94 30.485,95 9.821,96 47.238,97 14.479,98 0.709,99 1.291,100 32.347,101 9.785,102 68.745,103 14.755,104 21,105 35,106 0.248,107 0.577,108 0.809,109 0.872,110 0.883,111 0.883,112 3.373,113 1,114 -2.95,115 -2.95,116 -2.85,118 36.2,120 5,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 5,175 1,177 1,180 7,181 1,185 2,186 6,191 1,194 4,195 1,197 1,198 5,203 1,206 1,207 1,209 1,210 5,215 1,219 1,221 2,222 7,227 1,234 7,235 1,242 1,246 1,247 6,250 1,255 3,258 1,259 5,267 5,270 1748,271 19.112,272 19.112,273 19.112,274 19.112,275 19.112,276 17.56,277 20.894,278 12.106,279 19.731,280 14.31,281 14.31,282 14.31,283 14.31,284 14.31,285 12.011,286 20.478,287 5.778,288 15.187,289 4.363,290 2.375,291 0.979,292 0.599,293 0.53,294 0.53,295 4.044,299 1,300 1,301 770,302 4.416,305 100.885,306 117.189,313 2.217,314 27.528,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 62,326 379,327 4.035,328 3.596,329 5.584,330 3.632,331 2.687,332 3.635,333 2.341,334 7.703,335 2.582,336 3.956,337 3.016,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.55,346 2.907,347 5.113,348 3.242,349 2.279,350 2.767,351 0.86,352 6.29,353 2.223,354 3.496,355 2.66,356 5.042,357 3.189,358 2.235,359 2.71,360 0.86,361 6.115,362 2.078,363 3.381,364 2.49,365 4.659,366 3.109,367 2.17,368 2.434,370 5.184,371 2.02,372 2.796,373 1.985,374 3.806,375 2.749,376 1.76,377 1.798,379 3.578,380 1.736,381 2.583,382 1.772,383 3.506,384 2.244,385 1.307,386 1.61,388 2.734,389 1.218,390 2.5,391 1.504,392 3.432,393 2.142,394 1.242,395 1.5,397 2.666,398 1.111,399 2.359,400 1.237,401 3.414,402 2,403 1.021,404 1.347,406 2.275,407 1,408 2.142,409 1.137,410 3.21,411 1.924,412 1,413 1.114,415 2.193,416 0.911,417 2.118,418 1,419 3,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.704,427 0.957,428 2.827,429 1.527,430 0.6,431 0.639,433 1.195,434 0.546,435 1.598,436 0.618,437 2.722,438 1.389,439 0.499,440 0.534,442 0.848,443 0.441,444 1.091,445 0.555,446 2.515,447 0.895,448 -0.031,449 -0.033,451 -0.064,452 -0.028,453 0.99,454 0.411,455 2.247,456 0.825,457 -0.119,458 -0.128,460 -0.27,461 -0.112,462 12.967,463 0.463,464 0.417,465 0.015,466 29.75,467 1.063,468 12,469 0.429,470 17.75,471 0.634,472 25.457,473 0.909,474 33.233,475 0.573,476 21.339,477 0.762,478 6.067,479 0.217,480 7.602,481 0.271,482 0.09,484 0.185,487 0.865,488 1.584,489 0.892,490 1.405,491 0.734,492 1.188,493 1.176,494 1.091,495 1.092,496 1.079,497 0.634,498 1.064,499 1.053,500 1.051,501 1.098,502 1.096,503 0.943,504 1.11,505 0.974,506 1.001,507 0.992,508 1.037,509 0.803,510 1.023,511 1.065,512 0.969,513 0.975,514 0.975,515 0.829,516 0.963,517 1.006,518 0.9,519 0.981,520 0.903,521 0.822,522 0.931,523 0.967,524 1.098,525 1.015,526 1.063,527 0.842,528 1.05,529 0.908,530 0.885,531 0.997,532 0.851,533 0.754,534 0.923,535 4.5,536 0.122,537 1.556,538 0.847,539 0.577,540 0.479,541 0.253,542 0.203,543 0.164,544 0.135,545 10782,546 30925,547 1.996,548 51.7,549 6,550 16,551 1,552 2,553 1,554 2,555 2,558 1.71,559 1.909,560 3.706,561 -0.323,562 1,563 1,567 86.708,568 1.495,569 3.483,570 4.879,571 5.259,572 5.328,573 5.328,574 3.244,575 4.45,576 4.772,577 3.923,578 1482.79,579 8.3,580 22011.1,582 1,584 1,585 339.763,586 1.136,587 4.758,588 0.155,589 0.005,590 0.044,591 0.027,592 0.02,593 0.017,594 0.009,595 0.007,596 0.006,597 0.005,598 0.294,599 0.33,600 0.88,601 1.991,602 146.148,603 -0.036,604 -0.27,605 0.047,606 -0.156,607 -0.022,608 -0.056,609 -0.07,610 0.04,611 -0.092,612 -0.017,613 0.116,614 -0.052,615 -0.031,616 -0.046,617 -0.116,618 -0.073,619 -0.076,620 -0.108,621 -0.045,622 -0.045,623 -0.021,624 -0.054,625 -0.047,626 -0.036,627 -0.061,628 -0.032,629 0.011,630 -0.012,631 -0.045,632 0.009,633 -0.008,634 0.061,635 0.007,636 0.054,637 -0.028,638 0.037,639 -0.09,640 -0.095,641 -0.052,642 -0.06,643 -0.072,644 -0.051,645 0.013,646 0.1,647 -0.02,648 0.108,649 0.023,650 0.049,651 2.398,652 3.512,653 0.393,654 34.776,655 1.004,656 1.135,657 1.72,658 2.96,659 0.62,660 3.401,661 3.584,662 3.689,663 3.807,664 3.85,665 3.85,666 3.85,667 3.829,668 3.892,669 3.97,670 8.126,671 0.586,672 390.53,673 3.401,674 4.86,675 5.624,676 6.418,677 7.198,678 7.998,679 8.786,680 9.589,681 10.381,682 11.187,683 3.4,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 58,726 12,727 1,728 29,730 59,731 21,733 9,734 2,735 4,739 2,740 2,751 6,753 10,754 11,756 1,761 1,765 1,769 1,772 30,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 1,840 28,845 1,846 9,848 3,850 1,862 8.6,864 1,865 1,866 2,867 1,869 14.667,870 10.183,871 6.583,872 3.472,874 1.47,875 1.224,876 0.892,877 10.659,878 8.024,879 3.597,880 4.003,881 4.352,882 4.749,883 4.952,884 4.898,885 4.916,886 4.868,887 5.043,888 5.289,889 1,890 31,891 10.349,893 4.092,894 7.798,895 19.869,897 15.27,899 2.298,900 64.333,903 1,904 341.362,905 113.396,906 18.685,908 100.828,911 113.396,912 442.19,913 18.685,914 10.883,915 28.556,916 46.952,917 139.684,918 30.375,919 11.771,920 306.049,922 341.362,923 132.08,924 100.828,927 317.82,928 102.37,929 22,931 48.121,932 67.174,933 16.786,935 341.362,936 119.513,937 113.396,940 341.362,941 37.894,942 77.401,944 117.613,945 341.362,946 119.513,947 113.396,949 0.545,950 0.289,951 0.144,952 0.07,953 11,954 5,955 0.254,956 15,958 1,959 4.243,960 201.388,962 11,963 130.606,968 22.406,969 13.32,970 9.76,972 117.613,973 13.24,974 4.071,978 1.911,979 1.98,980 42.683,981 574.27,982 35.5,987 10.512,991 -0.731,994 58.211,995 65.856,996 0.255,997 0.595,998 0.833,999 0.898,1000 0.909,1001 0.909,1002 4.76,1003 1.242,1004 5.517,1005 2.734,1006 4.263,1007 4.687,1008 2.719,1009 6.125,1010 4.15,1011 5.861,1012 1.021,1013 6.944,1014 2.666,1015 3.434,1016 4.086,1017 2.243,1018 6.581,1019 3.286,1020 7.079,1021 1,1022 8.461,1023 2.275,1024 5.659,1025 6.616,1026 3.769,1027 9.573,1028 5.444,1029 8.328,1030 0.618,1031 10.031,1032 2.193,1033 5.673,1034 6.89,1035 4.112,1036 10.874,1037 5.402,1038 9.609,1039 0.6,1040 11.638,1041 1.372,1042 7.272,1043 8.824,1044 5.235,1045 13.292,1046 6.955,1047 10.91,1048 0.499,1049 13.267,1050 1.195,1051 7.702,1052 9.512,1053 5.889,1054 14.953,1055 7.317,1056 12.226,1057 -0.031,1058 14.913,1059 0.848,1060 9.004,1061 11.175,1062 6.856,1063 17.148,1064 8.585,1065 2.687,1066 -0.119,1067 16.57,1068 -0.064,1069 9.664,1070 12.088,1071 7.625,1072 18.983,1073 9.172,1074 2.641,1075 7.703,1076 18.236,1077 -0.27,1078 10.812,1079 13.606,1080 8.527,1081 21.081,1082 10.289,1083 2.279,1084 7.335,1085 19.907,1086 3.635,1087 11.605,1088 14.651,1089 9.342,1090 23.005,1091 11.011,1092 2.235,1093 6.29,1094 21.584,1095 3.49,1096 12.671,1097 16.085,1098 10.216,1099 25.06,1100 12.045,1101 2.17,1102 6.115,1103 23.264,1104 2.767,1105 13.541,1106 17.21,1107 11.051,1108 27.03,1109 12.847,1110 1.76,1111 5.184,1112 24.948,1113 2.71,1114 14.564,1115 18.592,1116 11.912,1117 29.067,1118 13.835,1119 1.307,1120 3.578,1121 26.635,1122 2.434,1123 15.479,1124 19.769,1125 12.755,1126 31.062,1127 14.688,1128 10848,1129 18461,1130 19.356,1131 35.944,1132 40.609,1133 41.16,1134 41.035,1135 40.1,1136 40.119,1137 49.011,1138 10.423,1139 98.975,1140 37.785,1141 5.001,1142 5.596,1143 5.449,1144 4.71,1145 4.687,1146 6.635,1147 3.925,1148 13.229,1149 4.582,1150 13.078,1151 1.4,1152 1.419,1153 1.415,1154 1.383,1155 1.383,1156 1.69,1157 0.359,1158 3.413,1159 1.303,1160 3.963,1161 4.017,1162 3.893,1163 3.853,1164 7.474,1165 3.854,1166 3.903,1167 3.937,1168 3.842,1169 3.725,1170 6.351,1171 3.75,1172 3.774,1173 3.829,1174 3.635,1175 3.63,1176 4.962,1177 3.621,1178 3.604,1179 3.64,1180 3.495,1181 3.393,1182 4.876,1183 3.408,1184 3.479,1185 3.521,1186 3.348,1187 3.28,1188 4.646,1189 3.285,1190 3.306,1191 3.355,1192 3.166,1193 3.068,1194 4.459,1195 3.082,1196 3.172,1197 3.223,1198 2.994,1199 2.909,1200 4.258,1201 2.921,1202 3.063,1203 3.139,1204 2.854,1205 2.82,1206 4.062,1207 2.81,1208 0.139,1209 0.124,1210 0.193,1211 0.125,1212 0.093,1213 4.035,1214 0.125,1215 3.596,1216 0.081,1217 5.584,1218 0.266,1219 3.632,1220 0.089,1221 2.687,1222 3.635,1223 2.341,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.02,1229 2.008,1230 1.365,1231 2.01,1232 1.775,1233 1.721,1234 2.012,1235 1.957,1236 1.196,1237 1.974,1238 1.683,1239 1.629,1240 1.876,1241 1.897,1242 1.125,1243 1.897,1244 1.492,1245 1.439,1246 1.748,1247 1.721,1248 1.046,1249 1.726,1250 1.355,1251 1.305,1252 1.596,1253 1.617,1254 0.701,1255 1.605,1256 1.281,1257 1.219,1258 1.545,1259 1.528,1260 0.641,1261 1.53,1262 1.207,1263 1.141,1264 1.453,1265 1.504,1266 0.602,1267 1.499,1268 1.106,1269 1.047,1270 1.418,1271 1.41,1272 0.517,1273 1.408,1274 4.078,1276 5.293,1277 2.398,1278 6.666,1279 4.443,1280 8.112,1281 6.26,1282 9.602,1284 1.649,1289 8.65,1290 6.084,1292 17.032,1294 -0.063,1300 33.992,1301 86.708,1302 202.004,1303 283.008,1304 305.008,1305 309.008,1306 309.008,1307 65.546,1308 6.554,1309 82.81,1310 82.81,1311 11,1312 11.782,1313 3.7,1314 2.907,1315 61.954,1316 127,1317 146,1318 0.214,1319 213.428,1320 375.45,1321 512.525,1322 5750,1324 20.029,1325 0.715,1326 0.588,1327 20.029,1328 16.457,1329 13.669,1330 0.471,1331 0.333,1332 9.478,1333 12.921,1334 9.274,1335 7.724,1336 13.669,1337 9.669,1338 11.217,1339 0.32,1340 0.191,1341 11.217,1342 6.673,1343 8.304,1344 0.213,1345 0.111,1346 8.304,1347 4.344,1348 6.237,1349 0.142,1350 0.064,1351 6.237,1352 2.795,1353 4.295,1354 0.093,1355 0.037,1356 4.295,1357 1.703,1358 0.35,1359 87.305,1360 0.227,1361 27.845,1362 0.55,1363 128,1364 438.382,1365 145.253,1366 400.867,1367 519.84,1368 376,1369 138,1370 345.324,1371 154.317,1372 346.76,1373 490.9,1374 321,1375 5.724} {0 CHEMBL52948,1 1.387,2 11.231,3 5.325,4 28.357,5 103.882,6 6.74,7 0.571,8 4.012,9 4.136,10 3.488,11 3.576,12 5.057,13 3.526,14 4.556,15 4.744,16 3.801,17 3.964,18 5.585,19 3.878,20 4.831,21 5.07,22 3.838,23 4.1,24 5.687,25 3.983,26 4.885,27 5.128,28 3.829,29 4.145,30 5.712,31 4.015,32 4.92,33 5.157,34 3.801,35 4.18,36 5.759,37 4.029,38 4.999,39 5.274,40 3.703,41 4.159,42 5.795,43 3.982,44 4.902,45 5.184,46 3.527,47 4.02,48 5.688,49 3.83,50 4.731,51 5.021,52 3.314,53 3.822,54 5.501,55 3.628,56 0.047,57 0.71,58 11.649,59 5.111,60 9.124,61 6.953,62 0.214,63 1.168,64 20.971,65 8.414,66 36.713,67 11.932,68 0.229,69 1.441,70 28.465,71 10.87,72 34.137,73 15.557,74 0.282,75 1.533,76 30.11,77 11.384,78 31.737,79 16.357,80 0.211,81 1.568,82 30.859,83 12.361,84 33.561,85 17.612,86 0.276,87 1.633,88 34.131,89 13.035,90 44.185,91 18.918,92 0.253,93 1.458,94 31.105,95 11.776,96 42.031,97 17.127,98 0.235,99 1.204,100 26.383,101 9.847,102 37.241,103 14.303,104 18,105 37,106 0.232,107 0.559,108 0.741,109 0.856,110 0.893,111 0.893,112 3.304,113 1.005,114 -4.52,115 -4.44,116 -4.19,118 42.3,119 1,120 6,124 1,140 6,141 3,143 2,150 2,154 1,163 1,167 1,168 13,169 1,172 8,175 1,177 1,180 12,181 1,186 7,191 1,194 11,195 1,197 1,198 5,203 1,206 14,207 1,210 4,215 1,218 16,219 1,222 5,227 1,229 14,230 1,234 5,239 1,242 12,247 1,248 1,255 10,258 1,259 1,262 1,267 10,270 1218,271 17.778,272 17.778,273 17.778,274 17.778,275 17.778,276 15.652,277 10.311,278 11.059,279 17.942,280 13.866,281 13.866,282 13.866,283 13.866,284 13.866,285 10.727,286 7.781,287 5.299,288 14.139,289 4.314,290 2.358,291 1.274,292 0.582,293 0.361,294 0.361,295 3.989,299 1,300 1,301 619,302 3.606,305 58.024,306 144.753,309 111.084,313 1.538,314 17.694,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 55,326 292,327 4.783,328 3.596,329 7.113,330 4.339,331 3.371,332 4.741,333 2.341,334 12.34,335 3.269,336 3.994,337 3.432,338 6.073,339 3.565,340 2.576,341 3.596,343 8.616,344 2.548,345 3.55,346 2.576,347 5.602,348 3.242,349 2.237,350 2.843,352 6.91,353 2.224,354 3.483,355 2.304,356 4.932,357 3.103,358 2.143,359 2.793,361 5.251,362 2.053,363 3.39,364 1.988,365 4.659,366 2.91,367 1.929,368 2.71,370 5.184,371 1.892,372 2.916,373 1.816,374 3.914,375 2.751,376 1.756,377 2.106,379 3.622,380 1.741,381 2.82,382 1.483,383 3.714,384 2.43,385 1.451,386 1.834,388 3.117,389 1.419,390 2.625,391 1.405,392 3.669,393 2.307,394 1.312,395 1.673,397 2.848,398 1.302,399 2.5,400 1.184,401 3.55,402 2.104,403 1.119,404 1.5,406 2.612,407 1.1,408 2.448,409 1.066,410 3.328,411 1.956,412 1,413 1.43,415 2.176,416 0.953,417 2.224,418 1,419 3.247,420 1.927,421 0.936,422 1.167,424 2.136,425 0.926,426 1.69,427 0.808,428 2.996,429 1.55,430 0.558,431 0.61,433 1.205,434 0.551,435 1.188,436 0.477,437 2.639,438 1.011,439 0.027,440 0.029,442 0.062,443 0.026,444 0.935,445 0.195,446 2.346,447 0.676,448 -0.311,449 -0.356,451 -0.714,452 -0.305,453 0.72,454 -0.131,455 2.139,456 0.361,457 -0.629,458 -0.768,460 -1.482,461 -0.618,462 12.467,463 0.479,464 0.49,465 0.019,466 31.25,467 1.202,468 15.5,469 0.596,470 15.75,471 0.606,472 23.425,473 0.901,474 28.333,475 0.545,476 21.048,477 0.81,478 5.862,479 0.225,480 6.819,481 0.262,482 0.094,484 0.273,487 0.781,488 1.271,489 0.895,490 1.104,491 0.689,492 1.028,493 0.565,494 1.184,495 0.934,496 1.077,497 0.377,498 1.044,499 0.88,500 1.017,501 0.926,502 0.929,503 0.798,504 0.931,505 0.862,506 0.938,507 1.028,508 0.95,509 0.675,510 0.991,511 0.731,512 1.15,513 1.082,514 1.147,515 0.68,516 1.153,517 0.729,518 0.964,519 1.007,520 0.993,521 0.669,522 1.022,523 0.745,524 1.003,525 1.022,526 1.028,527 0.72,528 1.05,529 0.824,530 0.906,531 1.001,532 0.956,533 0.813,534 0.99,535 3,536 0.094,537 2.222,538 2.424,539 1.223,540 0.66,541 0.344,542 0.234,543 0.131,544 0.096,545 7915,546 20229,547 2.059,548 50,549 11,550 8,552 2,553 1,554 2,555 2,558 1.691,559 1.95,560 3.369,561 -0.408,567 72.104,568 1.387,569 3.343,570 4.427,571 5.118,572 5.34,573 5.34,574 2.83,575 4.47,576 4.66,577 3.61,578 1173.31,579 8.085,580 15013.3,585 296.423,586 1.3,587 4.642,588 0.107,589 0.006,590 0.06,591 0.064,592 0.033,593 0.019,594 0.011,595 0.009,596 0.007,597 0.006,598 0.321,599 0.33,600 1,601 1.987,602 128.301,603 -0.029,604 -0.097,605 0.036,607 -0.023,608 0.018,609 0.165,610 -0.073,611 0.011,612 -0.039,613 0.221,614 -0.032,615 -0.057,616 0.005,617 0.038,618 0.068,619 -0.047,620 0.062,621 -0.073,622 0.105,623 -0.066,624 0.036,625 -0.045,626 -0.006,627 -0.059,628 -0.139,629 -0.14,630 -0.133,631 -0.059,632 -0.145,633 -0.049,634 0.006,635 -0.054,636 -0.014,637 -0.047,638 -0.03,639 -0.04,640 -0.052,641 -0.065,642 -0.056,643 -0.056,644 -0.062,645 -0.053,646 0.029,647 -0.035,648 0.006,649 -0.071,650 -0.008,651 2.361,652 3.564,653 0.577,654 27.284,655 0.99,656 1.123,657 3.289,658 10.815,659 0.655,660 3.367,661 3.638,662 3.912,663 4.22,664 4.443,665 4.5,666 4.625,667 4.691,668 4.635,669 4.585,670 6.64,671 0.611,672 350.5,673 3.367,674 4.875,675 5.714,676 6.586,677 7.461,678 8.355,679 9.251,680 10.158,681 11.065,682 11.981,683 3.8,691 1,693 1,698 2,699 8,700 1,704 3,705 1,706 16,724 52,726 17,727 1,728 28,730 54,731 22,733 13,734 2,735 4,739 3,740 4,745 1,751 6,753 14,754 8,756 1,761 1,765 1,772 26,773 3,774 1,775 4,779 2,784 0.667,785 2,795 1,797 1,801 1,802 2,805 1,818 1,830 1,832 2,836 1,840 26,845 1,846 7,862 3.8,864 1,865 1,869 13.333,870 9.433,871 5.917,872 3.439,874 3.184,875 1.446,876 0.955,877 6.325,878 10.317,879 3.638,880 4.216,881 4.829,882 5.491,883 6.054,884 6.387,885 6.854,886 7.259,887 7.443,888 7.655,889 1,890 38,891 9.61,893 3.954,894 7.673,895 18.798,897 15.369,899 2.173,900 56.5,904 294.278,905 115.845,906 18.685,908 67.828,911 115.845,912 362.106,913 18.685,914 8.825,915 17.313,916 56.857,917 109.066,918 28.938,919 4.901,920 270.735,922 294.278,923 134.53,924 67.828,927 270.735,928 91.37,931 46.132,932 71.612,933 16.786,935 294.278,936 86.513,937 115.845,940 294.278,941 32.068,942 85.677,944 84.614,945 294.278,946 86.513,947 115.845,949 0.559,950 0.317,951 0.183,952 0.104,953 16,954 7,955 0.167,956 9,957 1,958 1.133,959 3.845,960 209.456,961 0.133,962 15,963 122.211,968 18.504,969 8.887,970 4.476,971 2.572,972 84.614,973 16.413,974 4.297,978 3.711,979 2.416,980 42.683,981 496.636,982 37,987 10.564,991 -0.694,994 51.461,995 58.398,996 0.243,997 0.586,998 0.777,999 0.898,1000 0.937,1001 0.937,1002 4.836,1003 1.312,1004 5.666,1005 3.117,1006 4.317,1007 4.902,1008 2.258,1009 6.479,1010 4.277,1011 6.023,1012 1.119,1013 7.215,1014 2.848,1015 3.761,1016 4.677,1017 2.243,1018 7.455,1019 3.687,1020 7.321,1021 1,1022 8.883,1023 2.612,1024 5.872,1025 7.14,1026 3.628,1027 10.656,1028 5.782,1029 8.668,1030 0.936,1031 10.629,1032 2.176,1033 6.256,1034 7.876,1035 4.112,1036 12.599,1037 6.123,1038 10.06,1039 0.558,1040 12.429,1041 2.136,1042 7.797,1043 9.783,1044 5.201,1045 15.322,1046 7.647,1047 11.487,1048 0.027,1049 14.267,1050 1.205,1051 8.646,1052 10.976,1053 5.889,1054 17.626,1055 8.451,1056 12.943,1057 -0.311,1058 16.131,1059 0.062,1060 9.965,1061 12.663,1062 6.849,1063 20.204,1064 9.747,1065 3.371,1066 -0.629,1067 18.016,1068 -0.714,1069 11.028,1070 14.064,1071 7.625,1072 22.639,1073 10.769,1074 2.576,1075 12.34,1076 19.916,1077 -1.482,1078 12.27,1079 15.666,1080 8.526,1081 25.171,1082 11.983,1083 2.237,1084 8.616,1085 21.828,1086 4.741,1087 13.422,1088 17.156,1089 9.342,1090 27.655,1091 13.098,1092 2.143,1093 6.91,1094 23.749,1095 3.596,1096 14.641,1097 18.727,1098 10.216,1099 30.173,1100 14.286,1101 1.929,1102 5.251,1103 25.677,1104 2.843,1105 15.829,1106 20.255,1107 11.051,1108 32.674,1109 15.44,1110 1.756,1111 5.184,1112 27.611,1113 2.793,1114 17.042,1115 21.815,1116 11.912,1117 35.188,1118 16.622,1119 1.451,1120 3.622,1121 29.549,1122 2.71,1123 18.246,1124 23.358,1125 12.755,1126 37.697,1127 17.792,1128 7844,1129 12608,1130 18.781,1131 34.057,1132 41.13,1133 41.639,1134 42.164,1135 40.853,1136 40.826,1137 54.065,1138 4.682,1139 112.155,1140 40.006,1141 5.723,1142 5.596,1143 6.976,1144 5.376,1145 5.371,1146 7.741,1147 3.925,1148 19.844,1149 5.269,1150 11.812,1151 1.469,1152 1.487,1153 1.506,1154 1.459,1155 1.458,1156 1.931,1157 0.167,1158 4.006,1159 1.429,1160 4.172,1161 4.204,1162 4.139,1163 4.09,1164 7.474,1165 4.098,1166 3.809,1167 3.85,1168 3.746,1169 3.717,1170 6.351,1171 3.718,1172 3.778,1173 3.834,1174 3.633,1175 3.65,1176 4.975,1177 3.635,1178 3.588,1179 3.639,1180 3.459,1181 3.426,1182 4.816,1183 3.422,1184 3.419,1185 3.471,1186 3.31,1187 3.297,1188 4.275,1189 3.291,1190 3.289,1191 3.349,1192 3.13,1193 3.087,1194 4.137,1195 3.09,1196 3.067,1197 3.138,1198 2.895,1199 2.859,1200 3.931,1201 2.858,1202 2.848,1203 2.922,1204 2.679,1205 2.711,1206 3.811,1207 2.696,1208 0.171,1209 0.128,1210 0.254,1211 0.155,1212 0.12,1213 4.783,1214 0.169,1215 3.596,1216 0.084,1217 7.113,1218 0.441,1219 4.339,1220 0.117,1221 3.371,1222 4.741,1223 2.341,1224 12.34,1225 3.269,1226 1.945,1227 1.92,1228 2.061,1229 2.05,1230 1.399,1231 2.052,1232 1.885,1233 1.849,1234 2.023,1235 1.989,1236 1.213,1237 1.998,1238 1.777,1239 1.722,1240 1.967,1241 1.933,1242 1.16,1243 1.955,1244 1.602,1245 1.547,1246 1.832,1247 1.79,1248 1.03,1249 1.803,1250 1.457,1251 1.406,1252 1.691,1253 1.646,1254 0.829,1255 1.658,1256 1.263,1257 1.202,1258 1.552,1259 1.496,1260 0.733,1261 1.517,1262 1.043,1263 0.982,1264 1.311,1265 1.305,1266 0.491,1267 1.308,1268 0.855,1269 0.793,1270 1.17,1271 1.1,1272 0.307,1273 1.124,1274 4.043,1276 5.323,1277 2.398,1278 6.806,1279 4.949,1280 8.394,1281 7.222,1282 10.048,1284 2.188,1289 8.698,1290 6.336,1300 31.794,1301 72.104,1302 173.817,1303 230.184,1304 266.158,1305 277.668,1306 277.668,1307 43.428,1308 7.133,1309 55.12,1310 55.12,1311 17,1312 12.495,1313 4.17,1314 3.322,1315 44.427,1316 96,1317 128,1318 0.215,1319 197.784,1320 337.84,1321 474.352,1322 11474,1324 18.355,1325 0.706,1326 0.589,1327 18.355,1328 15.318,1329 12.682,1330 0.453,1331 0.335,1332 9.311,1333 12.367,1334 9.073,1335 7.577,1336 12.682,1337 9.382,1338 10.85,1339 0.293,1340 0.184,1341 10.85,1342 6.796,1343 8.715,1344 0.178,1345 0.101,1346 8.715,1347 4.931,1348 7.501,1349 0.112,1350 0.055,1351 7.501,1352 3.66,1353 6.113,1354 0.073,1355 0.03,1356 6.113,1357 2.547,1358 0.339,1359 78.281,1360 0.231,1361 25.372,1362 0.583,1363 130,1364 335.175,1365 138.563,1366 329.281,1367 450.13,1368 308,1369 151,1370 329.3,1371 158.82,1372 335.55,1373 487.95,1374 317,1375 7.921} {0 CHEMBL53068,1 1.376,2 6.375,3 1.392,4 1.937,5 63.781,6 7.286,7 0.611,8 3.477,9 3.604,10 3.057,11 3.06,12 4.527,13 3.032,14 3.998,15 4.184,16 3.356,17 3.449,18 4.961,19 3.392,20 4.184,21 4.408,22 3.264,23 3.528,24 5.029,25 3.412,26 4.167,27 4.411,28 3.144,29 3.44,30 4.986,31 3.311,32 4.104,33 4.364,34 3.039,35 3.336,36 4.925,37 3.201,38 3.994,39 4.271,40 2.858,41 3.163,42 4.819,43 3.018,44 3.74,45 4.038,46 2.475,47 2.805,48 4.612,49 2.646,50 3.178,51 3.512,52 1.477,53 2.117,54 3.902,55 1.88,56 0.018,57 0.446,58 5.916,59 2.477,60 5.377,61 3.431,62 0.114,63 0.728,64 11.037,65 4.037,66 10.336,67 5.712,68 0.088,69 0.809,70 13.934,71 5.498,72 12.349,73 7.859,74 0.1,75 0.781,76 14.103,77 5.303,78 12.974,79 7.679,80 0.129,81 0.725,82 13.546,83 4.97,84 13.63,85 7.234,86 0.09,87 0.633,88 12.398,89 4.463,90 13.349,91 6.595,92 0.119,93 0.488,94 9.914,95 3.2,96 14.934,97 4.81,98 0.06,99 0.25,100 5.853,101 1.878,102 8.612,103 2.867,105 24,106 0.263,107 0.644,108 0.837,109 0.89,110 0.89,111 0.89,112 2.854,113 0.921,114 -3.06,115 -3.06,116 -2.95,118 44.8,120 2,124 1,133 1,134 1,140 2,141 1,143 2,144 1,149 1,156 1,168 6,171 1,172 4,180 6,186 5,194 5,198 4,206 3,209 1,210 4,218 1,222 2,233 1,234 2,270 254,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.681,277 11.309,278 6.911,279 11.515,280 8.932,281 8.932,282 8.932,283 8.932,284 8.932,285 6.619,286 15.507,287 3.299,288 9.308,289 3.482,290 1.488,291 0.483,292 0.207,293 0.207,294 0.207,295 3.536,299 1,300 1,301 225,302 1.732,305 35.982,306 67.149,310 57.684,313 1,314 6.121,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33.5,326 102,327 4.393,328 3.218,329 6.515,330 4.032,331 3.045,332 3.991,333 0.522,334 10.241,335 3.005,336 3.92,337 2.696,338 5.468,339 3.454,340 2.532,341 3.482,343 7.273,344 2.335,345 3.471,346 2.205,347 5.045,348 2.977,349 2.013,350 2.773,352 5.843,353 1.935,354 2.945,355 1.835,356 4.15,357 2.614,358 1.618,359 2.103,361 3.782,362 1.612,363 2.71,364 1.401,365 3.6,366 2.259,367 1.283,368 1.773,370 2.862,371 1.252,372 2.596,373 1.32,374 3.469,375 2.138,376 1.201,377 1.609,379 2.628,380 1.122,381 2.134,382 0.939,383 3.239,384 1.804,385 0.846,386 1.067,388 1.96,389 0.809,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.16,400 0.277,401 2.654,402 0.914,403 -0.056,404 -0.065,406 -0.143,407 -0.054,408 0.812,409 -0.475,410 2.308,411 0.357,412 -0.618,413 -0.771,415 -1.478,416 -0.6,417 0.658,418 -0.589,419 2,420 0.276,421 -0.684,422 -0.876,424 -1.737,425 -0.654,426 0.255,427 -0.957,428 1.888,429 -0.08,430 -1.053,431 -1.416,433 -2.522,434 -1.023,435 -0.082,436 -1.273,437 1.3,438 -0.539,439 -1.502,440 -1.945,442 -3.528,443 -1.432,444 -0.118,445 -1.524,446 1.178,447 -0.68,448 -1.618,449 -2.093,451 -4.372,452 -1.484,453 -0.325,454 -1.618,455 1,456 -0.709,457 -1.65,458 -2.427,460 -4.514,461 -1.585,462 7.7,463 0.481,464 0.239,465 0.015,466 22.25,467 1.391,468 11.5,469 0.719,470 10.75,471 0.672,472 9.57,473 0.598,474 16.3,475 0.562,476 12.007,477 0.75,478 4.382,479 0.274,480 3.55,481 0.222,484 0.247,487 0.853,488 1.391,489 0.771,490 1.077,491 0.648,492 0.944,493 1.232,494 0.97,495 0.988,496 0.902,497 0.99,498 0.916,499 0.891,500 1.065,501 1.045,502 1.104,503 1.016,504 1.093,505 0.986,506 1.06,507 1.072,508 1.093,509 0.993,510 1.092,511 0.925,512 0.92,513 1.022,514 0.998,515 0.893,516 1.016,517 0.909,518 1.038,519 0.945,520 1.007,521 0.863,522 0.985,523 1.175,524 0.877,525 1.053,526 0.921,527 1.316,528 0.964,529 1.217,530 0.78,531 1.1,532 0.892,533 1.503,534 0.967,535 2,537 1.333,538 0.785,539 0.511,540 0.208,541 0.096,542 0.058,543 0.01,545 2081,546 4878,547 2.213,548 44.8,549 2,550 5,551 1,552 3,554 2,558 1.552,559 2.182,560 2.743,561 -0.795,563 1,565 1,567 39.915,568 1.376,569 3.37,570 4.375,571 4.651,572 4.651,573 4.651,574 2.18,575 3.5,576 3.977,577 2.819,578 338.326,579 6.699,580 2887.47,582 1,585 140.881,586 0.811,587 3.975,588 0.111,590 0.056,591 0.037,592 0.028,593 0.013,594 0.007,595 0.007,596 0.005,598 0.265,599 1,600 1,602 63.523,603 0.05,604 -0.282,605 0.082,606 -0.102,607 0.173,608 -0.024,609 -0.09,610 0.124,611 -0.073,612 0.038,613 -0.081,614 -0.006,615 -0.086,616 -0.098,617 -0.117,618 -0.117,619 -0.16,620 -0.12,621 -0.1,622 -0.108,623 -0.119,624 -0.119,625 -0.104,626 -0.121,627 0.022,628 0.025,629 -0.048,630 -0.031,631 -0.012,632 -0.044,633 0.01,634 -0.131,635 0.049,636 -0.035,637 0.092,638 0.003,639 0.032,640 0.057,641 -0.019,642 0.006,643 0.025,644 -0.008,645 -0.145,646 0.07,647 -0.035,648 0.056,649 -0.202,650 0.028,651 0.612,652 1.433,653 0.938,654 8.141,655 0.99,656 1.123,657 1.834,658 3.364,659 0.684,660 2.944,661 3.219,662 3.497,663 3.761,664 3.892,665 3.871,666 3.951,667 3.989,668 3.97,669 3.664,670 4.061,671 0.645,672 211.29,673 2.944,674 4.443,675 5.283,676 6.142,677 6.999,678 7.864,679 8.726,680 9.594,681 10.458,682 11.328,683 10.3,691 1,693 2,699 6,700 2,704 2,705 1,706 11,724 29,726 12,728 18,730 31,731 13,733 8,736 2,739 3,740 4,748 2,751 2,753 10,754 3,756 1,763 1,765 1,769 1,772 13,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,822 1,823 1,832 2,840 16,846 3,869 7.333,870 5.183,871 3.556,872 1.775,874 2.272,875 1.364,876 1.023,877 2.392,878 8.52,879 3.239,880 3.801,881 4.358,882 4.901,883 5.224,884 5.351,885 5.696,886 5.955,887 6.217,888 6.135,889 1,890 21,891 5.887,893 2.453,894 7.469,895 11.585,897 9.554,899 1.969,900 31.5,901 0.005,904 153.024,905 80.492,906 35.47,911 80.492,912 153.024,913 35.47,915 7.175,916 37.476,917 77.503,918 29.122,919 11.771,920 105.94,922 153.024,923 115.962,927 153.024,931 38.544,932 34.371,933 43.047,935 153.024,936 35.47,937 80.492,940 153.024,941 16.303,942 66.089,944 33.571,945 153.024,946 35.47,947 80.492,949 0.565,950 0.333,951 0.192,952 0.094,953 13,954 4,955 0.065,956 2,957 1,958 1.133,959 2.968,960 110.544,961 0.133,962 15,963 64,968 9.495,969 4.03,970 1.853,972 33.571,973 11.694,974 8.497,978 2.516,979 2.091,981 268.987,982 24.5,989 2.31,991 1.354,994 28.723,995 32.571,996 0.283,997 0.694,998 0.901,999 0.957,1000 0.957,1001 0.957,1002 4.428,1003 0.618,1004 5.22,1005 1.96,1006 3.892,1007 4.483,1008 0.434,1009 5.984,1010 3.818,1011 5.603,1012 -0.056,1013 6.735,1014 1.372,1015 3.219,1016 3.98,1018 6.783,1019 3.126,1020 6.881,1021 -0.618,1022 8.356,1023 -0.143,1024 5.416,1025 6.607,1026 0.138,1027 9.914,1028 5.283,1029 8.2,1030 -0.684,1031 10.047,1032 -1.478,1033 5.673,1034 7.034,1036 11.63,1037 5.529,1038 9.555,1039 -1.053,1040 11.784,1041 -1.737,1042 7.239,1043 8.996,1044 0.039,1045 14.232,1046 7.068,1047 10.934,1048 -1.502,1049 13.554,1050 -2.522,1051 7.943,1052 9.873,1054 16.307,1055 7.768,1056 12.333,1057 -1.618,1058 15.346,1059 -3.528,1060 9.239,1061 11.534,1062 0.011,1063 18.734,1064 9.046,1065 3.045,1066 -1.65,1067 17.156,1068 -4.372,1069 10.156,1070 12.641,1072 20.956,1073 9.963,1074 2.532,1075 10.241,1076 18.978,1077 -4.514,1078 11.338,1079 14.159,1080 0.003,1081 23.32,1082 11.132,1083 2.013,1084 7.273,1085 20.81,1086 3.991,1087 12.356,1088 15.387,1090 25.602,1091 12.148,1092 1.618,1093 5.843,1094 22.65,1095 3.482,1096 13.491,1097 16.834,1098 0.001,1099 27.943,1100 13.273,1101 1.283,1102 3.782,1103 24.496,1104 2.773,1105 14.556,1106 18.128,1108 30.249,1109 14.335,1110 1.201,1111 2.862,1112 26.347,1113 2.103,1114 15.674,1115 19.54,1117 32.582,1118 15.443,1119 0.846,1120 2.628,1121 28.202,1122 1.773,1123 16.762,1124 20.87,1126 34.899,1127 16.525,1128 1994,1129 3120,1130 12.712,1131 19.824,1132 26.797,1133 26.578,1134 26.305,1135 26.286,1136 26.312,1137 35.451,1138 1.043,1139 71.922,1140 25.294,1141 5.248,1142 5.218,1143 6.204,1144 5.071,1145 5.045,1146 6.991,1147 1.043,1148 17.076,1149 5.005,1151 1.489,1152 1.477,1153 1.461,1154 1.46,1155 1.462,1156 1.969,1157 0.058,1158 3.996,1159 1.405,1160 4.029,1161 4.074,1162 3.972,1163 3.934,1164 4.968,1165 3.937,1166 3.856,1167 3.916,1168 3.799,1169 3.661,1170 4.873,1171 3.689,1172 3.48,1173 3.537,1174 3.364,1175 3.37,1176 4.268,1177 3.361,1178 3.163,1179 3.236,1180 3.009,1181 3.021,1182 3.87,1183 3.009,1184 2.746,1185 2.838,1186 2.583,1187 2.586,1188 3.627,1189 2.569,1190 2.672,1191 2.742,1192 2.53,1193 2.509,1194 3.361,1195 2.507,1196 2.489,1197 2.586,1198 2.286,1199 2.295,1200 3.335,1201 2.282,1202 2.415,1203 2.523,1204 2.223,1205 2.169,1206 3.19,1207 2.165,1208 0.244,1209 0.179,1210 0.362,1211 0.224,1212 0.169,1213 4.393,1214 0.222,1215 3.218,1216 0.029,1217 6.515,1218 0.569,1219 4.032,1220 0.167,1221 3.045,1222 3.991,1223 0.522,1224 10.241,1225 3.005,1226 1.975,1227 1.944,1228 2.088,1229 2.079,1230 1.329,1231 2.084,1232 1.583,1233 1.525,1234 1.745,1235 1.795,1236 0.93,1237 1.782,1238 1.442,1239 1.38,1240 1.673,1241 1.614,1242 0.802,1243 1.64,1244 1.296,1245 1.227,1246 1.479,1247 1.525,1248 0.485,1249 1.514,1250 1.039,1251 0.973,1252 1.27,1253 1.23,1254 0.328,1255 1.253,1256 0.721,1257 0.658,1258 1.052,1259 0.923,1260 0.209,1261 0.971,1262 0.61,1263 0.515,1264 0.953,1265 0.862,1266 0.048,1267 0.897,1268 0.366,1269 0.252,1270 0.763,1271 0.655,1273 0.701,1274 3.611,1276 4.89,1277 2.398,1278 6.378,1279 4.443,1280 7.967,1281 6.26,1282 9.61,1290 3.038,1300 18.698,1301 39.915,1302 97.72,1303 126.881,1304 134.881,1305 134.881,1306 134.881,1307 13.894,1308 6.248,1309 30.71,1310 30.71,1311 17,1312 11.872,1313 3.7,1314 2.907,1315 21.738,1316 38,1317 32,1318 0.285,1319 116.109,1320 191.74,1321 275.066,1322 3648,1324 10.795,1325 0.675,1326 0.563,1327 10.795,1328 9.004,1329 7.933,1330 0.441,1331 0.307,1332 5.462,1333 7.689,1334 5.346,1335 4.43,1336 7.933,1337 5.524,1338 6.786,1339 0.283,1340 0.167,1341 6.786,1342 4.001,1343 5.834,1344 0.182,1345 0.091,1346 5.834,1347 2.92,1348 5.039,1349 0.12,1350 0.051,1351 5.039,1352 2.149,1353 3.738,1354 0.078,1355 0.03,1356 3.738,1357 1.43,1358 0.426,1359 49.162,1360 0.28,1361 15.993,1362 0.844,1363 84,1364 208.935,1365 89.245,1366 208.712,1367 293.87,1368 198,1369 98,1370 221.394,1371 104.023,1372 227.393,1373 328.39,1374 214,1375 5.824} {0 CHEMBL53290,1 1.334,2 8.056,3 2.169,4 4.706,5 73.137,6 6.839,7 0.55,8 3.641,9 3.774,10 3.161,11 3.213,12 4.634,13 3.169,14 4.187,15 4.385,16 3.445,17 3.606,18 5.083,19 3.526,20 4.411,21 4.662,22 3.359,23 3.697,24 5.177,25 3.559,26 4.385,27 4.639,28 3.215,29 3.636,30 5.13,31 3.474,32 4.363,33 4.638,34 3.036,35 3.539,36 5.062,37 3.347,38 4.27,39 4.581,40 2.888,41 3.342,42 4.929,43 3.148,44 3.995,45 4.289,46 2.895,47 3.149,48 4.762,49 3.016,50 3.81,51 4.066,52 2.832,53 3.045,54 4.694,55 2.933,56 0.031,57 0.526,58 7.763,59 3.16,60 6.325,61 4.529,62 0.13,63 0.858,64 14.27,65 5.26,66 11.533,67 7.694,68 0.126,69 0.978,70 18.387,71 7.071,72 14.421,73 10.374,74 0.121,75 0.937,76 17.939,77 6.942,78 14.389,79 10.179,80 0.113,81 0.884,82 17.768,83 6.898,84 14.537,85 10.156,86 0.122,87 0.777,88 16.637,89 5.996,90 14.305,91 9.042,92 0.128,93 0.622,94 12.53,95 4.294,96 12.164,97 6.5,98 0.078,99 0.541,100 10.116,101 3.444,102 11.029,103 5.23,105 26,106 0.245,107 0.608,108 0.819,109 0.89,110 0.89,111 0.89,112 2.96,113 0.979,114 -3.58,115 -3.56,116 -3.39,118 42.9,120 4,124 1,133 1,134 1,140 2,141 1,143 2,144 1,149 1,156 1,168 8,171 1,172 4,180 9,186 4,194 9,198 4,206 7,210 4,218 3,222 3,233 1,234 4,247 2,258 1,259 2,270 374,271 12.69,272 12.69,273 12.69,274 12.69,275 12.69,276 11.096,277 11.309,278 7.843,279 12.938,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.576,286 8.398,287 3.726,288 10.301,289 3.796,290 1.818,291 0.672,292 0.286,293 0.286,294 0.286,295 3.646,298 1,299 1,300 1,301 319,302 2.236,305 47.193,306 83.942,310 71.964,313 1.173,314 6.584,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37.5,326 145,327 4.381,328 3.188,329 6.505,330 4.02,331 3.03,332 3.982,334 10.195,335 3.001,336 3.92,337 2.65,338 5.355,339 3.458,340 2.542,341 3.479,343 7.001,344 2.329,345 3.528,346 2.388,347 5.199,348 3.099,349 2.124,350 2.819,352 6.242,353 2.068,354 2.945,355 1.835,356 4.175,357 2.614,358 1.618,359 2.104,361 3.82,362 1.612,363 2.737,364 1.51,365 3.647,366 2.404,367 1.445,368 1.807,370 3.079,371 1.384,372 2.689,373 1.391,374 3.571,375 2.253,376 1.27,377 1.729,379 2.813,380 1.247,381 2.294,382 1.187,383 3.358,384 2.009,385 1.057,386 1.261,388 2.35,389 1.003,390 2.118,391 0.767,392 3.082,393 1.704,394 0.738,395 0.927,397 1.663,398 0.711,399 2.006,400 0.618,401 3,402 1.553,403 0.618,404 0.906,406 1.372,407 0.577,408 1.118,409 0.237,410 2.536,411 0.933,412 -0.043,413 -0.048,415 -0.103,416 -0.042,417 0.815,418 -0.377,419 2.296,420 0.406,421 -0.566,422 -0.649,424 -1.355,425 -0.549,426 0.686,427 -0.589,428 2,429 0.357,430 -0.618,431 -0.8,433 -1.478,434 -0.6,435 0.334,436 -0.87,437 1.899,438 -0.003,439 -0.979,440 -1.28,442 -2.343,443 -0.953,444 0.013,445 -1.123,446 1.501,447 -0.339,448 -1.298,449 -1.588,451 -2.903,452 -1.247,453 -0.118,454 -1.456,455 1.178,456 -0.608,457 -1.582,458 -1.99,460 -4.229,461 -1.474,462 8.7,463 0.483,464 0.239,465 0.013,466 23.25,467 1.292,468 11.5,469 0.639,470 11.75,471 0.653,472 12.571,473 0.698,474 18.9,475 0.54,476 12.486,477 0.694,478 4.405,479 0.245,480 4.528,481 0.252,484 0.218,487 0.857,488 1.406,489 0.846,490 1.126,491 0.64,492 1.009,493 1.191,494 1.039,495 1.033,496 0.992,497 0.941,498 0.997,499 0.935,500 0.966,501 1.015,502 1.012,503 0.965,504 1.019,505 0.938,506 1.032,507 1.127,508 1.131,509 1.055,510 1.144,511 0.798,512 1.059,513 1.101,514 1.163,515 1.021,516 1.161,517 0.84,518 0.906,519 0.887,520 0.91,521 0.835,522 0.904,523 0.969,524 0.789,525 0.796,526 0.745,527 0.771,528 0.753,529 1.205,530 1.144,531 0.96,532 0.985,533 1.013,534 0.956,535 2,536 0.005,537 1.556,538 0.785,539 0.441,540 0.205,541 0.147,542 0.109,543 0.052,544 0.027,545 3171,546 7024,547 2.189,548 48.6,549 4,550 5,551 1,552 3,554 2,555 2,558 1.582,559 2.16,560 3.019,561 -0.818,563 1,565 1,567 46.68,568 1.334,569 3.311,570 4.458,571 4.844,572 4.844,573 4.844,574 2.441,575 3.461,576 4.145,577 3.156,578 482.86,579 7.009,580 4654.1,581 1,582 1,584 1,585 179.525,586 0.764,587 4.146,588 0.1,589 0.002,590 0.06,591 0.034,592 0.023,593 0.014,594 0.011,595 0.008,596 0.004,597 0.003,598 0.26,599 0.83,600 1,602 77.106,603 0.073,604 -0.251,605 0.079,606 -0.086,607 0.225,608 -0.017,609 -0.048,610 0.066,611 -0.073,612 -0.01,613 -0.011,614 -0.038,615 -0.092,616 0.008,617 -0.06,618 -0.017,619 -0.108,620 -0.032,621 -0.126,622 -0.072,623 -0.177,624 -0.138,625 -0.184,626 -0.158,627 -0.055,628 -0.146,629 -0.148,630 -0.173,631 -0.161,632 -0.169,633 0.035,634 -0.03,635 0.097,636 0.05,637 0.043,638 0.075,639 0.15,640 0.156,641 0.205,642 0.196,643 0.182,644 0.204,645 -0.038,646 -0.14,647 0.027,648 -0.04,649 0.107,650 -0.007,651 0.465,652 1.471,653 0.833,654 11.531,655 0.985,656 1.126,657 2.354,658 5.541,659 0.667,660 3.045,661 3.296,662 3.555,663 3.784,664 3.871,665 3.807,666 3.871,667 3.932,668 3.989,669 3.829,670 5.012,671 0.621,672 239.35,673 3.045,674 4.533,675 5.361,676 6.205,677 7.047,678 7.896,679 8.743,680 9.595,681 10.445,682 11.299,683 8.6,691 1,693 2,699 6,700 2,704 2,705 1,706 11,724 35,726 12,728 20,730 37,731 15,733 8,736 2,739 3,740 4,748 2,751 4,753 10,754 5,756 1,763 1,765 1,769 1,772 17,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,822 1,823 1,832 2,840 18,846 5,869 8.333,870 6.183,871 4.056,872 2.275,874 2.187,875 1.342,876 1.002,877 3.335,878 8.59,879 3.314,880 3.845,881 4.384,882 4.886,883 5.151,884 5.178,885 5.44,886 5.659,887 5.919,888 5.755,889 1,890 23,891 6.644,893 2.737,894 7.417,895 13.218,897 10.887,899 1.917,900 34.5,901 0.004,904 200.109,905 85.561,906 35.47,911 85.561,912 200.109,913 35.47,915 12.244,916 37.476,917 77.503,918 29.122,919 11.771,920 153.024,922 200.109,923 121.031,927 176.567,928 23.542,931 43.613,932 34.371,933 43.047,935 200.109,936 35.47,937 85.561,940 200.109,941 21.372,942 66.089,944 33.571,945 200.109,946 35.47,947 85.561,949 0.559,950 0.329,951 0.185,952 0.086,953 13,954 4,955 0.108,956 4,957 1,958 1.133,959 3.244,960 124.798,961 0.133,962 15,963 75.059,968 11.368,969 5.281,970 2.596,972 33.571,973 11.861,974 8.533,978 2.618,979 2.132,981 321.14,982 26.5,989 2.373,991 1.462,994 34.491,995 39.401,996 0.26,997 0.646,998 0.869,999 0.944,1000 0.944,1001 0.944,1002 4.497,1003 0.738,1004 5.283,1005 2.35,1006 3.97,1007 4.527,1009 6.019,1010 3.902,1011 5.653,1012 0.618,1013 6.781,1014 1.663,1015 3.219,1016 3.98,1018 6.783,1019 3.126,1020 6.919,1021 -0.043,1022 8.388,1023 1.372,1024 5.468,1025 6.623,1027 9.901,1028 5.344,1029 8.228,1030 -0.566,1031 10.066,1032 -0.103,1033 5.673,1034 7.034,1036 11.613,1037 5.533,1038 9.574,1039 -0.618,1040 11.794,1041 -1.355,1042 7.263,1043 8.998,1045 14.197,1046 7.103,1047 10.947,1048 -0.979,1049 13.555,1050 -1.478,1051 7.933,1052 9.867,1054 16.274,1055 7.768,1056 12.339,1057 -1.298,1058 15.342,1059 -2.343,1060 9.238,1061 11.527,1063 18.689,1064 9.06,1065 3.03,1066 -1.582,1067 17.146,1068 -2.903,1069 10.133,1070 12.629,1072 20.911,1073 9.957,1074 2.542,1075 10.195,1076 18.965,1077 -4.229,1078 11.315,1079 14.144,1081 23.268,1082 11.131,1083 2.124,1084 7.001,1085 20.793,1086 3.982,1087 12.318,1088 15.369,1090 25.548,1091 12.136,1092 1.618,1093 6.242,1094 22.63,1095 3.479,1096 13.451,1097 16.814,1099 27.884,1100 13.263,1101 1.445,1102 3.82,1103 24.474,1104 2.819,1105 14.505,1106 18.104,1108 30.188,1109 14.318,1110 1.27,1111 3.079,1112 26.323,1113 2.104,1114 15.618,1115 19.514,1117 32.516,1118 15.426,1119 1.057,1120 2.813,1121 28.176,1122 1.807,1123 16.697,1124 20.84,1126 34.83,1127 16.504,1128 3010,1129 4550,1130 14.099,1131 23.347,1132 29.388,1133 29.101,1134 28.985,1135 28.859,1136 28.885,1137 38.027,1139 77.07,1140 27.863,1141 5.286,1142 5.188,1143 6.195,1144 5.059,1145 5.03,1146 6.982,1148 16.97,1149 5.001,1151 1.469,1152 1.455,1153 1.449,1154 1.443,1155 1.444,1156 1.901,1158 3.854,1159 1.393,1160 4.015,1161 4.058,1162 3.952,1163 3.932,1164 4.956,1165 3.932,1166 3.908,1167 3.97,1168 3.847,1169 3.707,1170 4.887,1171 3.734,1172 3.55,1173 3.609,1174 3.435,1175 3.432,1176 4.3,1177 3.426,1178 3.39,1179 3.463,1180 3.215,1181 3.256,1182 3.931,1183 3.237,1184 3.032,1185 3.108,1186 2.88,1187 2.881,1188 3.832,1189 2.87,1190 2.712,1191 2.806,1192 2.541,1193 2.581,1194 3.473,1195 2.563,1196 2.663,1197 2.739,1198 2.497,1199 2.463,1200 3.355,1201 2.456,1202 2.49,1203 2.59,1204 2.28,1205 2.294,1206 3.323,1207 2.28,1208 0.219,1209 0.159,1210 0.325,1211 0.201,1212 0.152,1213 4.381,1214 0.199,1215 3.188,1217 6.505,1218 0.51,1219 4.02,1220 0.15,1221 3.03,1222 3.982,1224 10.195,1225 3.001,1226 1.979,1227 1.948,1228 2.101,1229 2.078,1230 1.368,1231 2.088,1232 1.687,1233 1.622,1234 1.893,1235 1.892,1236 1.176,1237 1.894,1238 1.493,1239 1.438,1240 1.701,1241 1.652,1242 0.81,1243 1.67,1244 1.34,1245 1.275,1246 1.566,1247 1.533,1248 0.742,1249 1.549,1250 1.258,1251 1.182,1252 1.452,1253 1.502,1254 0.465,1255 1.499,1256 0.953,1257 0.879,1258 1.234,1259 1.159,1260 0.328,1261 1.192,1262 0.718,1263 0.655,1264 1.055,1265 0.919,1266 0.219,1267 0.97,1268 0.605,1269 0.504,1270 0.967,1271 0.864,1272 0.088,1273 0.903,1274 3.714,1276 4.977,1277 2.398,1278 6.444,1279 4.443,1280 8.012,1281 6.26,1282 9.635,1290 5.52,1300 21.752,1301 46.68,1302 115.899,1303 156.015,1304 169.525,1305 169.525,1306 169.525,1307 17.713,1308 6.404,1309 30.71,1310 30.71,1311 17,1312 11.855,1313 3.7,1314 2.907,1315 25.877,1316 53,1317 46,1318 0.236,1319 135.294,1320 226.34,1321 321.877,1322 4787,1324 12.209,1325 0.678,1326 0.579,1327 12.209,1328 10.419,1329 8.933,1330 0.447,1331 0.326,1332 6.462,1333 8.686,1334 6.332,1335 5.247,1336 8.933,1337 6.524,1338 7.481,1339 0.288,1340 0.18,1341 7.481,1342 4.67,1343 6.385,1344 0.188,1345 0.101,1346 6.385,1347 3.43,1348 5.398,1349 0.126,1350 0.059,1351 5.398,1352 2.53,1353 3.893,1354 0.083,1355 0.036,1356 3.893,1357 1.682,1358 0.368,1359 55.162,1360 0.266,1361 18.329,1362 0.644,1363 92,1364 216.935,1365 97.245,1366 216.77,1367 305.27,1368 206,1369 106,1370 229.394,1371 111.856,1372 234.935,1373 338.48,1374 222,1375 6.167} {0 CHEMBL53346,1 1.524,2 11.538,3 3.846,4 14.791,5 101.603,6 7.124,7 0.214,8 4.041,9 4.147,10 3.715,11 3.628,12 5.002,13 3.554,14 4.651,15 4.811,16 3.998,17 4.068,18 5.853,19 3.957,20 5.003,21 5.242,22 3.971,23 4.188,24 5.903,25 4.012,26 5.015,27 5.273,28 3.982,29 4.121,30 5.976,31 3.949,32 4.931,33 5.162,34 3.927,35 4.065,36 5.996,37 3.929,38 4.875,39 5.099,40 3.758,41 4.033,42 5.941,43 3.898,44 4.83,45 5.067,46 3.66,47 4.042,48 5.717,49 3.874,50 4.869,51 5.143,52 3.523,53 3.987,54 5.645,55 3.78,56 0.092,57 0.745,58 15.263,59 5.913,60 19.465,61 7.391,62 0.36,63 1.262,64 25.07,65 10.478,66 79.781,67 13.547,68 0.285,69 1.636,70 39.583,71 14.161,72 74.188,73 18.477,74 0.447,75 1.6,76 42.962,77 13.664,78 94.041,79 17.473,80 0.439,81 1.452,82 41.06,83 12.982,84 95.55,85 15.924,86 0.468,87 1.347,88 34.207,89 11.793,90 102.297,91 15.138,92 0.263,93 1.348,94 30.152,95 11.747,96 62.616,97 15.905,98 0.277,99 1.356,100 33.049,101 12.202,102 61.983,103 16.707,104 24,105 39,106 0.256,107 0.557,108 0.738,109 0.858,110 0.886,111 0.886,112 3.304,113 1.167,114 -4.18,115 -4.12,116 -3.9,118 37.7,120 7,121 3,126 1,133 2,140 5,142 1,154 1,163 1,167 1,168 16,169 1,171 1,172 1,175 3,177 3,180 18,181 1,186 5,191 7,194 11,195 1,198 9,203 5,206 8,207 1,210 11,215 3,218 11,219 1,222 5,227 2,229 18,230 1,234 3,239 2,242 19,243 1,247 3,252 2,255 14,256 1,259 3,264 1,265 1,267 7,268 3,270 1174,271 17.283,272 17.283,273 17.283,274 17.283,275 17.283,276 15.803,277 12.463,278 10.453,279 17.453,280 13.864,281 13.864,282 13.864,283 13.864,284 13.864,285 11.661,286 9.095,287 5.021,288 14.164,289 4.204,290 2.412,291 1.333,292 0.618,293 0.453,294 0.453,295 3.981,298 1,299 1,300 1,301 630,302 4.301,305 140.573,306 176.964,313 1.846,314 36.46,316 1,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 56.5,326 300,327 4.855,328 4.686,329 7.32,330 4.361,331 3.425,332 4.698,333 2.341,334 12.594,335 3.244,336 4.198,337 3.596,338 6.742,339 4.127,340 3.153,341 3.222,343 10.989,344 3.001,345 3.554,346 3.252,347 5.501,348 3.242,349 2.236,350 3.036,352 6.789,353 2.224,354 3.552,355 2.228,356 5.033,357 3.079,358 2.086,359 2.712,361 5.717,362 2.07,363 3.226,364 2.121,365 4.811,366 3.016,367 2.016,368 2.29,370 5.184,371 2.015,372 2.96,373 1.944,374 4.659,375 2.828,376 1.837,377 1.965,379 5.111,380 1.818,381 2.811,382 1.861,383 3.838,384 2.644,385 1.646,386 1.826,388 3.47,389 1.638,390 2.683,391 1.434,392 3.667,393 2.194,394 1.203,395 1.724,397 2.781,398 1.187,399 2.5,400 1.284,401 3.442,402 2.075,403 1.076,404 1.5,406 2.356,407 1.071,408 2.265,409 1,410 3.271,411 2,412 1,413 1.193,415 2.136,416 1,417 1.668,418 0.978,419 3.247,420 1.656,421 0.657,422 0.66,424 1.624,425 0.656,426 1.625,427 0.668,428 3.1,429 1.482,430 0.495,431 0.535,433 1.211,434 0.486,435 1.144,436 0.478,437 2.761,438 1.001,439 0.013,440 0.014,442 0.031,443 0.013,444 1,445 0.309,446 2.512,447 0.442,448 -0.557,449 -0.629,451 -1.357,452 -0.547,453 0.741,454 0.053,455 2.358,456 0.23,457 -0.73,458 -0.914,460 -1.643,461 -0.682,462 12.567,463 0.483,464 0.701,465 0.027,466 26.75,467 1.029,468 11.5,469 0.442,470 15.25,471 0.587,472 26.611,473 1.024,474 30.033,475 0.567,476 18.527,477 0.713,478 4.413,479 0.17,480 8.058,481 0.31,482 0.106,483 0.066,484 0.239,487 0.565,488 1.246,489 0.899,490 1.251,491 0.656,492 1.054,493 0.38,494 1.24,495 0.927,496 1.167,497 0.386,498 1.192,499 0.773,500 1.201,501 1.046,502 1.134,503 0.708,504 1.117,505 1.054,506 0.953,507 1.096,508 0.969,509 0.972,510 0.906,511 1.263,512 0.978,513 1.304,514 1.117,515 1.263,516 0.924,517 1.337,518 0.895,519 1.098,520 0.921,521 1.399,522 0.989,523 0.732,524 1.045,525 0.917,526 1.006,527 0.722,528 1.135,529 0.595,530 1.003,531 0.9,532 0.995,533 0.57,534 1.073,535 5.5,536 0.131,537 3.111,538 1.757,539 1.271,540 1.066,541 0.513,542 0.26,543 0.183,544 0.171,545 8048,546 22305,547 2.027,548 50.9,549 13,550 8,553 2,554 2,555 2,558 1.69,559 1.891,560 3.446,561 0.251,563 1,567 80.759,568 1.524,569 3.316,570 4.395,571 5.11,572 5.275,573 5.275,574 2.955,575 4.21,576 4.662,577 3.661,578 1189.86,579 8.082,580 15250.7,582 1,584 1,585 303.58,586 1.542,587 4.619,588 0.196,589 0.007,590 0.08,591 0.052,592 0.039,593 0.03,594 0.017,595 0.009,596 0.008,597 0.009,598 0.447,599 0.33,600 1,601 1.862,602 128.751,603 0.06,604 0.015,605 0.201,606 0.017,607 -0.084,608 0.068,609 0.307,610 -0.099,611 -0.012,612 -0.093,613 0.283,614 -0.137,615 -0.031,616 -0.18,617 -0.037,618 -0.103,619 0.002,620 -0.109,621 -0.087,622 0.059,623 0.038,624 0.067,625 -0.047,626 0.065,627 -0.128,628 0.041,629 -0.081,630 -0.009,631 -0.088,632 0.062,633 -0.208,634 0.075,635 -0.151,636 0.037,637 -0.166,638 -0.019,639 -0.067,640 -0.062,641 -0.118,642 -0.077,643 -0.048,644 -0.127,645 -0.006,646 -0.062,647 -0.049,648 -0.065,649 -0.017,650 -0.071,651 4.404,652 5.704,653 0.5,654 27.189,655 1,656 1.126,657 2.949,658 8.695,659 0.648,660 3.367,661 3.689,662 3.912,663 4.174,664 4.344,665 4.382,666 4.443,667 4.489,668 4.533,669 4.533,670 6.758,671 0.602,672 377.55,673 3.367,674 4.905,675 5.74,676 6.624,677 7.492,678 8.389,679 9.274,680 10.18,681 11.077,682 11.988,683 1.9,685 1,699 5,704 1,706 6,724 53,726 10,727 1,728 28,730 55,731 20,733 6,734 1,735 5,739 3,740 4,748 4,749 3,751 8,753 9,754 11,755 3,756 4,760 1,761 3,763 2,765 1,769 1,772 27,773 5,774 2,775 6,776 1,779 1,784 0.667,785 4,801 2,802 2,818 1,822 2,830 1,832 2,834 1,840 26,844 1,845 1,846 7,847 1,850 4,862 7.5,864 1,865 3,869 13.75,870 8.783,871 5.708,872 3.411,874 1.36,875 1.193,876 0.93,877 6.285,878 8.405,879 3.584,880 4.086,881 4.404,882 4.801,883 5.164,884 5.185,885 5.419,886 5.318,887 5.53,888 5.719,889 0.875,890 34,891 9.935,893 4.523,894 7.946,895 18.898,897 16.584,899 2.446,900 63.583,902 1,903 1,904 294.278,905 92.343,906 16.405,908 112.141,910 5.807,911 86.536,912 406.419,913 16.405,915 17.742,916 88.546,917 113.051,918 1.551,920 294.278,922 294.278,923 102.941,924 112.141,925 5.807,927 270.735,928 135.683,931 34.147,932 49.842,933 24.76,935 294.278,936 128.546,937 92.343,939 5.807,940 294.278,941 20.202,942 66.334,943 16.405,944 112.141,945 294.278,946 128.546,947 92.343,949 0.577,950 0.316,951 0.166,952 0.088,953 18,954 8,955 0.164,956 9,957 2,958 1.231,959 3.846,960 208.651,961 0.308,962 12,963 116.211,967 1,968 19.286,969 8.473,970 4.833,972 128.546,973 8.563,978 0.325,980 59.088,981 515.167,982 35,986 -3.487,987 35.94,989 4.148,991 -0.762,994 52.974,995 59.654,996 0.266,997 0.579,998 0.767,999 0.892,1000 0.921,1001 0.921,1002 4.84,1003 1.203,1004 5.753,1005 3.47,1006 4.369,1007 4.771,1008 2.258,1009 6.605,1010 4.322,1011 6.031,1012 1.076,1013 7.341,1014 2.781,1015 4.111,1016 4.808,1017 2.243,1018 7.847,1019 3.97,1020 7.36,1021 1,1022 9.055,1023 2.356,1024 6.038,1025 6.935,1026 3.628,1027 10.906,1028 5.902,1029 8.733,1030 0.657,1031 10.849,1032 2.136,1033 6.648,1034 7.883,1035 4.112,1036 13,1037 6.398,1038 10.153,1039 0.495,1040 12.695,1041 1.624,1042 8.093,1043 9.592,1044 5.201,1045 15.663,1046 7.836,1047 11.607,1048 0.013,1049 14.577,1050 1.211,1051 9.069,1052 10.91,1053 5.889,1054 18.032,1055 8.71,1056 13.086,1057 -0.557,1058 16.484,1059 0.031,1060 10.353,1061 12.504,1062 6.849,1063 20.586,1064 9.967,1065 3.425,1066 -0.73,1067 18.408,1068 -1.357,1069 11.475,1070 13.963,1071 7.625,1072 23.047,1073 11.007,1074 3.153,1075 12.594,1076 20.345,1077 -1.643,1078 12.707,1079 15.524,1080 8.526,1081 25.57,1082 12.197,1083 2.236,1084 10.989,1085 22.291,1086 4.698,1087 13.884,1088 17.037,1089 9.342,1090 28.064,1091 13.306,1092 2.086,1093 6.789,1094 24.244,1095 3.222,1096 15.1,1097 18.588,1098 10.216,1099 30.58,1100 14.474,1101 2.016,1102 5.717,1103 26.203,1104 3.036,1105 16.299,1106 20.121,1107 11.051,1108 33.088,1109 15.612,1110 1.837,1111 5.184,1112 28.165,1113 2.712,1114 17.512,1115 21.669,1116 11.912,1117 35.605,1118 16.773,1119 1.646,1120 5.111,1121 30.131,1122 2.29,1123 18.72,1124 23.211,1125 12.755,1126 38.12,1127 17.924,1128 7972,1129 13375,1130 18.375,1131 34.37,1132 41.791,1133 43.032,1134 42.403,1135 41.779,1136 41.686,1137 50.752,1138 4.682,1139 119.987,1140 40.847,1141 5.855,1142 6.686,1143 7.144,1144 5.415,1145 5.425,1146 7.698,1147 3.925,1148 20.054,1149 5.244,1150 13.32,1151 1.493,1152 1.537,1153 1.514,1154 1.492,1155 1.489,1156 1.813,1157 0.167,1158 4.285,1159 1.459,1160 4.12,1161 4.132,1162 4.736,1163 4.084,1164 7.717,1165 4.013,1166 3.966,1167 3.977,1168 3.91,1169 3.913,1170 7.474,1171 3.882,1172 3.751,1173 3.799,1174 3.675,1175 3.632,1176 6.999,1177 3.62,1178 3.609,1179 3.601,1180 3.621,1181 3.53,1182 6.351,1183 3.453,1184 3.513,1185 3.551,1186 3.403,1187 3.352,1188 4.718,1189 3.352,1190 3.203,1191 3.252,1192 3.042,1193 3.005,1194 4.476,1195 3.002,1196 2.991,1197 3.059,1198 2.824,1199 2.794,1200 4.301,1201 2.784,1202 2.854,1203 2.926,1204 2.687,1205 2.735,1206 3.822,1207 2.715,1208 0.173,1209 0.167,1210 0.261,1211 0.156,1212 0.122,1213 4.855,1214 0.168,1215 4.686,1216 0.084,1217 7.32,1218 0.45,1219 4.361,1220 0.116,1221 3.425,1222 4.698,1223 2.341,1224 12.594,1225 3.244,1226 1.964,1227 1.969,1228 2.041,1229 2.041,1230 1.463,1231 2.081,1232 1.841,1233 1.797,1234 1.994,1235 1.956,1236 1.257,1237 1.982,1238 1.713,1239 1.664,1240 1.935,1241 1.873,1242 1.221,1243 1.894,1244 1.568,1245 1.525,1246 1.794,1247 1.725,1248 1.143,1249 1.753,1250 1.445,1251 1.429,1252 1.69,1253 1.632,1254 0.974,1255 1.656,1256 1.407,1257 1.386,1258 1.476,1259 1.572,1260 0.725,1261 1.612,1262 1.154,1263 1.103,1264 1.281,1265 1.394,1266 0.576,1267 1.408,1268 0.9,1269 0.843,1270 1.181,1271 1.169,1272 0.406,1273 1.183,1274 4.043,1276 5.361,1277 3.045,1278 6.87,1279 5.416,1280 8.476,1281 7.526,1282 10.141,1289 8.662,1290 5.852,1291 2.981,1294 1.363,1300 31.916,1301 80.759,1302 175.75,1303 232.951,1304 270.825,1305 279.58,1306 279.58,1307 70.135,1308 7.045,1309 83.47,1310 91.85,1311 16,1312 12.506,1313 3.459,1314 3,1315 44.436,1316 100,1317 123,1318 0.21,1319 199.71,1320 358.05,1321 479.053,1322 10334,1324 18.571,1325 0.714,1326 0.604,1327 18.821,1328 15.697,1329 12.471,1330 0.445,1331 0.389,1332 9.47,1333 11.39,1334 9.175,1335 7.571,1336 13.292,1337 10.896,1338 11.574,1339 0.297,1340 0.235,1341 12.874,1342 9.164,1343 8.816,1344 0.18,1345 0.148,1346 9.894,1347 7.245,1348 7.242,1349 0.113,1350 0.092,1351 8.281,1352 5.9,1353 5.55,1354 0.073,1355 0.057,1356 6.594,1357 4.358,1358 0.333,1359 85.574,1360 0.233,1361 25.444,1362 0.567,1363 134,1364 372.55,1365 181.336,1366 377.591,1367 493.75,1368 344,1369 155,1370 317.488,1371 209.053,1372 356.013,1373 513.63,1374 334,1375 8.638} {0 CHEMBL534331,1 1.62,2 8.667,3 1.537,4 2.363,5 65.638,6 7.697,7 0.579,8 3.572,9 3.675,10 3.151,11 3.048,12 4.781,13 3.057,14 4.058,15 4.214,16 3.462,17 3.375,18 5.329,19 3.369,20 4.25,21 4.421,22 3.366,23 3.43,24 5.473,25 3.371,26 4.238,27 4.461,28 3.175,29 3.381,30 5.285,31 3.291,32 4.1,33 4.323,34 3.204,35 3.347,36 5.194,37 3.258,38 4.112,39 4.338,40 3.009,41 3.183,42 5.272,43 3.085,44 3.794,45 4.055,46 2.609,47 2.747,48 4.818,49 2.652,50 3.34,51 3.552,52 2.485,53 2.377,54 4.392,55 2.358,56 0.07,57 0.45,58 6.211,59 2.806,60 9.586,61 3.456,62 0.285,63 0.68,64 11.596,65 4.263,66 38.379,67 5.482,68 0.493,69 0.724,70 15.387,71 5.467,72 47.849,73 6.944,74 0.368,75 0.716,76 16.123,77 5.346,78 46.672,79 7.18,80 0.153,81 0.667,82 13.041,83 5.139,84 17.804,85 7.156,86 0.322,87 0.605,88 14.25,89 4.747,90 36.247,91 6.465,92 0.228,93 0.414,94 11.022,95 3.264,96 33.444,97 4.651,98 0.163,99 0.273,100 6.466,101 1.891,102 14.728,103 2.607,104 13,105 25,106 0.305,107 0.688,108 0.832,109 0.856,110 0.856,111 0.856,112 2.958,113 0.883,114 -2.55,115 -2.57,116 -2.51,118 40.6,119 1,124 1,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 4,173 1,175 1,180 4,181 1,185 1,186 5,189 1,191 1,194 2,198 4,206 2,207 2,210 4,215 2,218 2,219 2,221 1,222 4,227 2,229 1,230 1,234 1,239 1,246 1,247 1,248 1,258 1,262 1,270 314,271 11.93,272 11.93,273 11.93,274 11.93,275 11.93,276 10.403,277 15.096,278 7.193,279 12.244,280 9.374,281 9.374,282 9.374,283 9.374,284 9.374,285 7.153,286 20.495,287 3.447,288 9.883,289 3.38,290 1.349,291 0.586,292 0.461,293 0.461,294 0.461,295 3.612,299 1,300 1,301 322,302 3.082,305 56.274,306 62.398,313 1.704,314 18.191,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 40,326 156,327 4.107,328 3.774,329 5.822,330 3.737,331 2.784,332 3.687,333 2.423,334 7.995,335 2.657,336 3.924,337 2.973,338 5.6,339 3.6,340 2.65,341 3.442,342 0.922,343 7.641,344 2.516,345 3.768,346 2.786,347 5.265,348 3.341,349 2.387,350 3.003,351 0.522,352 6.577,353 2.251,354 3.39,355 2.309,356 4.943,357 2.982,358 2.021,359 2.67,361 5.778,362 1.929,363 2.593,364 1.914,365 3.543,366 2.111,367 1.185,368 1.626,370 2.615,371 1.091,372 2.5,373 1.245,374 3.414,375 2,376 1.041,377 1.5,379 2.365,380 1,381 2.361,382 1,383 3.4,384 1.996,385 1,386 1.25,388 2.275,389 0.973,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.397,400 0.585,401 2.711,402 1.088,403 0.137,404 0.164,406 0.33,407 0.129,408 0.777,409 0.374,410 2.32,411 0.498,412 -0.428,413 -0.495,415 -1.151,416 -0.393,417 0.5,418 -0.122,419 2,421 -0.951,422 -1.145,424 -2,425 -0.891,426 0.449,427 -0.71,428 1.618,430 -1,431 -1.282,433 -2.261,434 -0.961,435 0.314,436 -0.97,437 1.383,438 -0.007,439 -1,440 -1.5,442 -3,443 -1,444 -0.113,445 -1,446 1.151,447 -0.47,448 -1.433,449 -1.668,451 -3.409,452 -1.359,453 -0.118,454 -1.133,455 1,456 -0.588,457 -1.548,458 -1.895,460 -4.153,461 -1.469,462 8.3,463 0.461,464 0.438,465 0.024,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 10.987,473 0.61,474 19.9,475 0.622,476 15.411,477 0.856,478 4.962,479 0.276,480 3.686,481 0.205,482 0.141,484 0.289,487 0.853,488 1.453,489 0.766,490 1.188,491 0.755,492 0.996,493 0.845,494 1.022,495 0.876,496 0.999,497 0.48,498 0.935,499 1.074,500 1.061,501 1.164,502 1.112,503 0.89,504 1.161,505 1.124,506 0.867,507 1.11,508 0.886,509 1.112,510 0.979,511 0.498,512 1.109,513 0.8,514 1.139,515 0.491,516 1.056,517 1.006,518 1.012,519 1.089,520 1.084,521 1.132,522 1.112,523 1.063,524 0.926,525 0.938,526 0.924,527 1.187,528 0.907,529 1.121,530 1.117,531 0.913,532 1.035,533 0.733,534 0.947,535 4,536 0.066,537 1.556,538 0.722,539 0.737,540 0.341,541 0.312,542 0.164,543 0.081,544 0.095,545 2932,546 9755,547 1.994,548 43.8,550 7,551 1,552 2,553 1,555 3,558 1.579,559 1.862,560 3.129,561 -0.225,563 1,564 1,565 1,567 51.836,568 1.62,569 3.651,570 4.414,571 4.539,572 4.539,573 4.539,574 2.503,575 2.753,576 4.139,577 3.292,578 503.733,579 6.99,580 4934.61,582 1,584 1,585 160,586 1.415,587 4.096,588 0.211,589 0.008,590 0.062,591 0.034,592 0.041,593 0.018,594 0.022,595 0.018,596 0.01,597 0.012,598 0.437,599 0.5,600 1,601 1.357,602 78.141,603 -0.085,604 -0.275,605 0.029,606 -0.11,607 -0.104,608 -0.034,609 0.06,610 0.103,611 0.009,612 -0.007,613 0.181,614 -0.001,615 0.038,616 -0.095,617 -0.214,618 -0.113,619 0.011,620 -0.206,621 -0.198,622 0.078,623 -0.14,624 0.091,625 -0.18,626 0.006,627 0.065,628 -0.128,629 0.098,630 -0.104,631 0.105,632 -0.011,633 -0.056,634 -0.101,635 -0.104,636 -0.115,637 -0.099,638 -0.124,639 -0.08,640 -0.074,641 0.109,642 0.006,643 -0.101,644 0.087,645 0.039,646 -0.181,647 0.114,648 -0.121,649 0.03,650 -0.014,651 2.641,652 3.647,653 0.611,654 14.938,655 1.015,656 1.129,657 1.319,658 1.739,659 0.654,660 2.996,661 3.258,662 3.401,663 3.526,664 3.611,665 3.555,666 3.664,667 3.714,668 3.611,669 3.497,670 5.399,671 0.636,672 246.29,673 2.996,674 4.489,675 5.283,676 6.111,677 6.925,678 7.753,679 8.573,680 9.402,681 10.225,682 11.054,683 6.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 32,726 12,727 1,728 19,730 33,731 13,733 9,734 2,735 4,739 2,740 2,745 1,751 1,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,836 1,840 18,845 1,846 1,848 1,850 1,862 9.4,864 1,865 1,867 1,869 9.667,870 5.85,871 4.028,872 1.764,874 1.989,875 1.334,876 0.912,877 3.998,878 7.953,879 3.277,880 3.801,881 4.229,882 4.686,883 5.004,884 5.094,885 5.455,886 5.794,887 5.962,888 6.09,889 0.833,890 21,891 6.606,893 2.712,894 8.019,895 12.268,897 9.486,899 2.519,900 45.333,901 0.001,904 153.024,905 84.888,906 18.685,908 78.828,911 84.888,912 231.852,913 18.685,914 8.825,915 2.106,916 46.952,917 117.684,918 30.375,919 11.771,920 117.711,922 153.024,923 103.573,924 78.828,927 117.711,928 114.141,931 30.496,932 56.291,933 16.786,935 153.024,936 97.513,937 84.888,940 153.024,941 11.445,942 75.343,944 95.614,945 153.024,946 97.513,947 84.888,949 0.574,950 0.315,951 0.145,952 0.073,953 11,954 5,955 0.152,956 5,958 1,959 3.13,960 116.59,962 11,963 71.059,968 12.647,969 5.691,970 3.595,972 95.614,973 12.713,974 3.968,978 1.655,979 1.954,980 42.683,981 335.425,982 25.5,987 10.647,991 -0.975,994 32.487,995 36.116,996 0.324,997 0.73,998 0.883,999 0.908,1000 0.908,1001 0.908,1002 4.463,1003 0.618,1004 5.242,1005 2.275,1006 3.932,1007 4.483,1008 2.546,1009 5.938,1010 3.831,1011 5.639,1012 0.137,1013 6.737,1014 1.372,1015 3.434,1016 4.086,1017 2.243,1018 6.589,1019 3.286,1020 6.904,1021 -0.428,1022 8.324,1023 0.33,1024 5.425,1025 6.538,1026 3.839,1027 9.572,1028 5.223,1029 8.2,1030 -0.951,1031 9.961,1032 -1.151,1033 5.707,1034 6.92,1035 4.238,1036 10.972,1037 5.45,1038 9.521,1039 -1,1040 11.628,1041 -2,1042 7.155,1043 8.82,1044 5.437,1045 13.433,1046 6.857,1047 10.858,1048 -1,1049 13.313,1050 -2.261,1051 7.787,1052 9.566,1053 6.111,1054 15.151,1055 7.428,1056 12.207,1057 -1.433,1058 15.011,1059 -3,1060 9.002,1061 11.211,1062 7.138,1063 17.401,1064 8.607,1065 2.784,1066 -1.548,1067 16.718,1068 -3.409,1069 9.808,1070 12.157,1071 7.928,1072 19.279,1073 9.352,1074 2.65,1075 7.995,1076 18.43,1077 -4.153,1078 10.914,1079 13.665,1080 8.878,1081 21.431,1082 10.422,1083 2.387,1084 7.641,1085 20.148,1086 3.687,1087 11.81,1088 14.733,1089 9.719,1090 23.393,1091 11.259,1092 2.021,1093 6.577,1094 21.869,1095 3.442,1096 12.863,1097 16.161,1098 10.635,1099 25.499,1100 12.275,1101 1.185,1102 5.778,1103 23.593,1104 3.003,1105 13.809,1106 17.304,1107 11.499,1108 27.506,1109 13.163,1110 1.041,1111 2.615,1112 25.32,1113 2.67,1114 14.837,1115 18.684,1116 12.399,1117 29.59,1118 14.152,1119 1,1120 2.365,1121 27.049,1122 1.626,1123 15.809,1124 19.877,1125 13.274,1126 31.622,1127 15.071,1128 2984,1129 5518,1130 12.425,1131 20.943,1132 28.156,1133 28.064,1134 28.029,1135 27.672,1136 27.646,1137 36.537,1138 7.733,1139 73.897,1140 26.245,1141 4.929,1142 5.774,1143 5.437,1144 4.796,1145 4.784,1146 6.687,1147 4.104,1148 13.829,1149 4.657,1150 8.96,1151 1.482,1152 1.477,1153 1.475,1154 1.456,1155 1.455,1156 1.923,1157 0.407,1158 3.889,1159 1.381,1160 3.995,1161 4.042,1162 3.935,1163 3.881,1164 7.474,1165 3.886,1166 3.815,1167 3.856,1168 3.758,1169 3.633,1170 6.351,1171 3.66,1172 3.613,1173 3.636,1174 3.53,1175 3.408,1176 4.967,1177 3.429,1178 3.084,1179 3.137,1180 2.982,1181 2.924,1182 4.818,1183 2.924,1184 2.991,1185 3.038,1186 2.785,1187 2.735,1188 4.313,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.632,1194 3.772,1195 2.669,1196 2.578,1197 2.644,1198 2.411,1199 2.359,1200 3.674,1201 2.355,1202 2.456,1203 2.554,1204 2.251,1205 2.216,1206 3.549,1207 2.214,1208 0.216,1209 0.199,1210 0.306,1211 0.197,1212 0.147,1213 4.107,1214 0.194,1215 3.774,1216 0.128,1217 5.822,1218 0.421,1219 3.737,1220 0.14,1221 2.784,1222 3.687,1223 2.423,1224 7.995,1225 2.657,1226 1.916,1227 1.891,1228 2.029,1229 2.025,1230 1.179,1231 2.027,1232 1.566,1233 1.529,1234 1.788,1235 1.812,1236 0.942,1237 1.796,1238 1.474,1239 1.415,1240 1.655,1241 1.689,1242 0.781,1243 1.683,1244 1.291,1245 1.222,1246 1.468,1247 1.525,1248 0.436,1249 1.512,1250 0.899,1251 0.845,1252 1.181,1253 1.268,1254 0.218,1255 1.231,1256 0.886,1257 0.821,1258 1.168,1259 1.103,1260 0.212,1261 1.119,1262 0.852,1263 0.814,1264 1.116,1265 1.062,1266 0.088,1267 1.107,1268 0.398,1269 0.307,1270 0.785,1271 0.754,1273 0.764,1274 3.664,1276 4.934,1277 2.398,1278 6.372,1279 4.443,1280 7.88,1281 6.26,1282 9.425,1284 1.502,1289 8.734,1290 0.731,1292 5.247,1294 -0.843,1300 20.348,1301 51.836,1302 116.839,1303 141.245,1304 145.245,1305 145.245,1306 145.245,1307 26.928,1308 5.964,1309 64.35,1310 64.35,1311 11,1312 11.629,1313 3.7,1314 2.907,1315 31.269,1316 61,1317 42,1318 0.269,1319 128.697,1320 219.47,1321 305.781,1322 2462,1324 12.958,1325 0.72,1326 0.555,1327 12.958,1328 9.984,1329 8.648,1330 0.455,1331 0.294,1332 5.487,1333 8.204,1334 5.348,1335 4.456,1336 8.648,1337 5.591,1338 7.73,1339 0.309,1340 0.159,1341 7.73,1342 3.977,1343 5.951,1344 0.205,1345 0.086,1346 5.951,1347 2.508,1348 4.218,1349 0.128,1350 0.046,1351 4.218,1352 1.519,1353 3.066,1354 0.085,1355 0.026,1356 3.066,1357 0.921,1358 0.426,1359 54.971,1360 0.284,1361 18.534,1362 0.72,1363 88,1364 310.911,1365 100.16,1366 292.99,1367 385.8,1368 272,1369 98,1370 271.96,1371 109.721,1372 272.21,1373 388.98,1374 254,1375 7.42} {0 CHEMBL53480,1 1.534,2 12.926,3 2.172,4 4.717,5 102.652,6 7.066,7 0.393,8 4.047,9 4.155,10 3.547,11 3.48,12 5.164,13 3.474,14 4.581,15 4.752,16 3.788,17 3.797,18 5.716,19 3.766,20 4.759,21 4.964,22 3.721,23 3.888,24 5.73,25 3.797,26 4.825,27 5.067,28 3.667,29 3.877,30 5.693,31 3.766,32 4.832,33 5.074,34 3.669,35 3.849,36 5.724,37 3.748,38 4.808,39 5.055,40 3.658,41 3.838,42 5.707,43 3.735,44 4.76,45 4.997,46 3.653,47 3.853,48 5.734,49 3.741,50 4.765,51 5.024,52 3.605,53 3.863,54 5.595,55 3.744,56 0.064,57 0.704,58 11.747,59 4.93,60 11.734,61 6.442,62 0.485,63 1.045,64 22.386,65 7.409,66 54.921,67 9.962,68 0.568,69 1.161,70 27.291,71 9.285,72 50.445,73 12.779,74 0.496,75 1.197,76 29.688,77 9.699,78 50.107,79 13.854,80 0.558,81 1.177,82 30.268,83 9.451,84 57.744,85 13.51,86 0.658,87 1.167,88 29.704,89 9.059,90 58.919,91 13.151,92 0.601,93 1.168,94 27.702,95 9.007,96 64.285,97 13.079,98 0.451,99 1.191,100 27.881,101 8.951,102 44.053,103 13.275,104 20,105 34,106 0.258,107 0.632,108 0.86,109 0.885,110 0.885,111 0.885,112 3.338,113 0.948,114 -2.65,115 -2.67,116 -2.59,118 37.7,120 2,123 1,124 4,126 1,133 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 5,175 1,177 1,180 6,181 1,185 2,186 6,191 1,194 3,195 1,197 1,198 5,203 1,207 1,209 1,210 5,215 1,221 2,222 5,223 1,233 1,234 7,237 1,242 1,247 6,255 3,258 1,259 3,260 2,267 5,270 1551,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.67,277 22.455,278 11.606,279 19.023,280 13.81,281 13.81,282 13.81,283 13.81,284 13.81,285 11.223,286 22.215,287 5.528,288 14.687,289 4.194,290 1.972,291 0.618,292 0.467,293 0.467,294 0.467,295 4.008,298 1,299 1,300 1,301 710,302 4.301,305 96.389,306 111.828,313 1.934,314 26.902,316 1,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 60,326 349,327 4.035,328 3.474,329 5.584,330 3.632,331 2.687,332 3.635,333 1.437,334 7.703,335 2.582,336 3.956,337 3.017,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.665,346 2.907,347 5.113,348 3.242,349 2.28,350 2.912,351 0.86,352 6.29,353 2.222,354 3.496,355 2.66,356 5.042,357 3.188,358 2.233,359 2.767,360 0.86,361 6.115,362 2.078,363 3.381,364 2.492,365 4.659,366 3.108,367 2.169,368 2.434,370 5.183,371 2.019,372 2.862,373 2.053,374 3.747,375 2.667,376 1.685,377 1.837,379 3.441,380 1.649,381 2.589,382 1.862,383 3.502,384 2.142,385 1.254,386 1.613,388 2.71,389 1.112,390 2.5,391 1.477,392 3.414,393 2.087,394 1.175,395 1.5,397 2.501,398 1.056,399 2.411,400 1.211,401 3.375,402 2,403 1,404 1.337,406 2.275,407 1,408 2.152,409 1.099,410 3.089,411 1.845,412 0.916,413 1.071,415 1.939,416 0.841,417 2.118,418 1,419 3,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.688,427 0.71,428 2.796,429 1.418,430 0.547,431 0.603,433 0.904,434 0.471,435 1.481,436 0.618,437 2.563,438 1.192,439 0.254,440 0.297,442 0.528,443 0.235,444 1.083,445 0.478,446 2.49,447 0.86,448 -0.059,449 -0.066,451 -0.126,452 -0.054,453 0.771,454 0.321,455 2.026,456 0.545,457 -0.402,458 -0.449,460 -0.952,461 -0.374,462 12.467,463 0.462,464 0.417,465 0.015,466 30.75,467 1.139,468 13.5,469 0.5,470 17.25,471 0.639,472 21.895,473 0.811,474 31.333,475 0.591,476 22.846,477 0.846,478 6.649,479 0.246,480 6.52,481 0.241,482 0.094,484 0.193,487 0.874,488 1.543,489 0.844,490 1.354,491 0.753,492 1.131,493 1.231,494 1.034,495 1.08,496 1.014,497 0.637,498 1.007,499 1.039,500 1.077,501 1.115,502 1.129,503 0.81,504 1.142,505 0.944,506 1.024,507 0.997,508 1.067,509 0.682,510 1.049,511 1.073,512 0.989,513 1,514 1,515 0.852,516 0.99,517 0.989,518 0.891,519 0.984,520 0.898,521 0.83,522 0.931,523 0.792,524 1.055,525 0.99,526 1.028,527 0.726,528 1.048,529 0.818,530 0.929,531 0.934,532 0.887,533 0.529,534 0.921,535 4.5,536 0.155,537 1.556,538 0.847,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 9583,546 29559,547 1.996,548 49.1,549 2,550 18,551 1,552 2,553 1,555 2,558 1.701,559 1.906,560 3.643,561 -0.309,562 1,563 1,567 81.32,568 1.534,569 3.756,570 5.11,571 5.261,572 5.261,573 5.261,574 3.102,575 4.31,576 4.72,577 3.843,578 1348.84,579 8.198,580 19307.4,582 1,584 1,585 303.58,586 1.16,587 4.704,588 0.161,589 0.006,590 0.046,591 0.028,592 0.021,593 0.017,594 0.009,595 0.006,596 0.008,597 0.004,598 0.305,599 0.33,600 0.88,601 1.863,602 138.716,603 -0.05,604 -0.282,605 0.045,606 -0.163,607 -0.051,608 -0.059,609 -0.1,610 0.079,611 -0.099,612 0.017,613 0.126,614 -0.03,615 -0.035,616 -0.065,617 -0.147,618 -0.104,619 -0.049,620 -0.145,621 -0.043,622 -0.064,623 -0.029,624 -0.08,625 -0.033,626 -0.056,627 -0.074,628 -0.051,629 -0.011,630 -0.034,631 -0.058,632 -0.014,633 -0.012,634 0.064,635 0.006,636 0.055,637 -0.035,638 0.039,639 0.068,640 -0.063,641 -0.031,642 -0.035,643 0.05,644 -0.051,645 -0.075,646 0.065,647 0.015,648 0.09,649 -0.033,650 0.077,651 2.596,652 3.439,653 0.407,654 31.753,655 1.008,656 1.133,657 1.418,658 2.01,659 0.631,660 3.367,661 3.555,662 3.664,663 3.784,664 3.829,665 3.829,666 3.829,667 3.807,668 3.892,669 3.932,670 7.748,671 0.603,672 374.48,673 3.367,674 4.828,675 5.595,676 6.392,677 7.174,678 7.976,679 8.766,680 9.571,681 10.365,682 11.172,683 3.8,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 53,726 13,727 1,728 28,730 54,731 20,733 9,734 2,735 4,736 3,739 2,740 2,751 3,753 12,754 8,756 2,761 1,763 2,765 1,768 1,769 1,772 26,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,822 2,830 1,831 2,832 2,836 1,840 27,845 1,846 6,848 3,850 1,862 9.4,864 1,865 1,866 2,867 1,869 14.167,870 9.35,871 6.333,872 2.958,874 1.636,875 1.252,876 0.895,877 9.625,878 8.133,879 3.597,880 4.021,881 4.402,882 4.783,883 4.98,884 4.927,885 4.952,886 4.913,887 5.124,888 5.355,889 0.889,890 30,891 9.939,893 3.923,894 7.864,895 18.834,897 14.263,899 2.364,900 63.833,904 294.278,905 124.745,906 18.685,908 100.828,911 124.745,912 395.105,913 18.685,914 10.883,915 20.952,916 65.905,917 139.684,918 30.375,919 11.771,920 258.964,922 294.278,923 143.429,924 100.828,927 270.735,928 102.37,929 22,931 40.517,932 67.174,933 35.738,935 294.278,936 119.513,937 124.745,940 294.278,941 30.291,942 96.353,944 117.613,945 294.278,946 119.513,947 124.745,949 0.546,950 0.29,951 0.145,952 0.071,953 11,954 5,955 0.241,956 13,958 1,959 4.127,960 192.978,962 11,963 124.382,968 21.161,969 12.281,970 8.864,972 117.613,973 13.112,974 4.047,978 1.882,979 1.95,980 42.683,981 538.535,982 35.5,987 10.439,989 2.789,991 -0.93,994 53.443,995 60.026,996 0.268,997 0.656,998 0.892,999 0.918,1000 0.918,1001 0.918,1002 4.76,1003 1.175,1004 5.493,1005 2.71,1006 4.234,1007 4.705,1008 2.374,1009 6.107,1010 4.118,1011 5.878,1012 1,1013 6.925,1014 2.501,1015 3.434,1016 4.086,1018 6.581,1019 3.286,1020 7.102,1021 0.916,1022 8.446,1023 2.275,1024 5.638,1025 6.661,1026 2.722,1027 9.566,1028 5.418,1029 8.358,1030 0.618,1031 10.02,1032 1.939,1033 5.673,1034 6.91,1036 10.874,1037 5.402,1038 9.643,1039 0.547,1040 11.629,1041 1.372,1042 7.258,1043 8.872,1044 3.213,1045 13.29,1046 6.936,1047 10.947,1048 0.254,1049 13.261,1050 0.904,1051 7.702,1052 9.541,1054 14.953,1055 7.317,1056 12.266,1057 -0.059,1058 14.909,1059 0.528,1060 8.995,1061 11.217,1062 3.799,1063 17.147,1064 8.571,1065 2.687,1066 -0.402,1067 16.567,1068 -0.126,1069 9.664,1070 12.116,1072 18.983,1073 9.172,1074 2.641,1075 7.703,1076 18.233,1077 -0.952,1078 10.807,1079 13.639,1080 4.442,1081 21.081,1082 10.281,1083 2.28,1084 7.335,1085 19.906,1086 3.635,1087 11.605,1088 14.675,1090 23.005,1091 11.011,1092 2.233,1093 6.29,1094 21.583,1095 3.49,1096 12.668,1097 16.11,1098 5.118,1099 25.06,1100 12.039,1101 2.169,1102 6.115,1103 23.264,1104 2.912,1105 13.541,1106 17.23,1108 27.03,1109 12.847,1110 1.685,1111 5.183,1112 24.948,1113 2.767,1114 14.562,1115 18.61,1116 5.814,1117 29.067,1118 13.832,1119 1.254,1120 3.441,1121 26.634,1122 2.434,1123 15.479,1124 19.784,1126 31.062,1127 14.688,1128 9649,1129 17042,1130 18.663,1131 33.421,1132 39.705,1133 39.934,1134 39.709,1135 38.9,1136 38.921,1137 48.845,1138 8.615,1139 96.591,1140 36.583,1141 4.974,1142 5.474,1143 5.412,1144 4.709,1145 4.687,1146 6.635,1147 2.873,1148 13.229,1149 4.582,1150 12.687,1151 1.418,1152 1.426,1153 1.418,1154 1.389,1155 1.39,1156 1.744,1157 0.308,1158 3.45,1159 1.307,1160 3.962,1161 4.015,1162 3.893,1163 3.853,1164 7.476,1165 3.853,1166 3.903,1167 3.936,1168 3.842,1169 3.724,1170 6.351,1171 3.75,1172 3.751,1173 3.793,1174 3.646,1175 3.616,1176 4.962,1177 3.614,1178 3.576,1179 3.606,1180 3.477,1181 3.363,1182 4.876,1183 3.382,1184 3.408,1185 3.441,1186 3.281,1187 3.192,1188 4.647,1189 3.202,1190 3.289,1191 3.344,1192 3.141,1193 3.06,1194 4.465,1195 3.07,1196 3.086,1197 3.155,1198 2.889,1199 2.824,1200 4.284,1201 2.817,1202 2.963,1203 3.012,1204 2.789,1205 2.735,1206 4.219,1207 2.715,1208 0.144,1209 0.124,1210 0.199,1211 0.13,1212 0.096,1213 4.035,1214 0.13,1215 3.474,1216 0.051,1217 5.584,1218 0.275,1219 3.632,1220 0.092,1221 2.687,1222 3.635,1223 1.437,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.016,1229 2.008,1230 1.245,1231 2.009,1232 1.748,1233 1.704,1234 1.958,1235 1.943,1236 1.172,1237 1.944,1238 1.667,1239 1.615,1240 1.856,1241 1.858,1242 1.12,1243 1.864,1244 1.394,1245 1.349,1246 1.602,1247 1.646,1248 0.71,1249 1.627,1250 1.331,1251 1.284,1252 1.59,1253 1.595,1254 0.684,1255 1.585,1256 1.281,1257 1.219,1258 1.534,1259 1.526,1260 0.604,1261 1.523,1262 1.195,1263 1.124,1264 1.453,1265 1.489,1266 0.518,1267 1.493,1268 1.023,1269 0.947,1270 1.327,1271 1.298,1272 0.402,1273 1.303,1274 4.043,1276 5.263,1277 2.398,1278 6.64,1279 4.443,1280 8.091,1281 6.26,1282 9.585,1284 1.64,1289 8.572,1290 3.548,1292 16.894,1294 -0.11,1300 31.938,1301 81.32,1302 199.05,1303 270.825,1304 278.825,1305 278.825,1306 278.825,1307 57.165,1308 6.497,1309 82.81,1310 82.81,1311 11,1312 11.767,1313 3.807,1314 3.087,1315 58.393,1316 117,1317 131,1318 0.22,1319 200.909,1320 355.51,1321 481.977,1322 5263,1324 19.322,1325 0.716,1326 0.574,1327 19.322,1328 15.491,1329 13.169,1330 0.47,1331 0.316,1332 8.655,1333 12.421,1334 8.462,1335 7.049,1336 13.169,1337 8.846,1338 10.864,1339 0.32,1340 0.176,1341 10.864,1342 5.998,1343 8.054,1344 0.212,1345 0.101,1346 8.054,1347 3.834,1348 6.06,1349 0.141,1350 0.057,1351 6.06,1352 2.449,1353 4.17,1354 0.093,1355 0.033,1356 4.17,1357 1.478,1358 0.358,1359 84.305,1360 0.231,1361 26.905,1362 0.571,1363 124,1364 444.382,1365 141.253,1366 407.642,1367 529.06,1368 382,1369 134,1370 352.324,1371 150.317,1372 354.755,1373 502.46,1374 328,1375 5.079} {0 CHEMBL53487,1 1.495,2 13.464,3 2.339,4 5.469,5 106.399,6 6.733,7 0.379,8 4.127,9 4.242,10 3.593,11 3.545,12 5.167,13 3.53,14 4.698,15 4.883,16 3.831,17 3.864,18 5.697,19 3.822,20 4.868,21 5.084,22 3.787,23 3.951,24 5.788,25 3.861,26 4.904,27 5.136,28 3.744,29 3.948,30 5.806,31 3.843,32 4.933,33 5.177,34 3.716,35 3.932,36 5.809,37 3.822,38 4.903,39 5.159,40 3.71,41 3.929,42 5.78,43 3.803,44 4.858,45 5.117,46 3.674,47 3.953,48 5.618,49 3.818,50 4.927,51 5.196,52 3.703,53 3.937,54 5.755,55 3.821,56 0.02,57 0.764,58 13.559,59 5.472,60 9.093,61 7.412,62 0.503,63 1.125,64 26.082,65 8.198,66 41.868,67 11.45,68 0.623,69 1.235,70 31.209,71 9.954,72 48.435,73 14.028,74 0.511,75 1.261,76 32.239,77 10.19,78 52.525,79 14.631,80 0.583,81 1.26,82 33.521,83 10.172,84 57.278,85 14.771,86 0.81,87 1.259,88 32.566,89 9.976,90 62.054,91 14.844,92 0.301,93 1.285,94 30.025,95 10.176,96 33.18,97 15.181,98 0.528,99 1.296,100 33.2,101 9.826,102 46.58,103 14.869,104 21,105 35,106 0.248,107 0.564,108 0.825,109 0.875,110 0.875,111 0.875,112 3.373,113 0.998,114 -2.95,115 -2.95,116 -2.85,118 36.2,119 1,120 3,123 1,124 5,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 6,171 2,172 7,180 5,185 2,186 7,194 2,197 1,198 7,206 1,209 1,210 3,218 1,221 4,222 5,229 1,234 7,242 1,247 5,255 3,258 5,259 3,267 5,270 1716,271 19.275,272 19.275,273 19.275,274 19.275,275 19.275,276 17.776,277 22.985,278 12.175,279 20.083,280 14.258,281 14.258,282 14.258,283 14.258,284 14.258,285 11.979,286 22.094,287 5.693,288 15.322,289 4.363,290 2.456,291 0.88,292 0.578,293 0.578,294 0.578,295 4.044,299 1,300 1,301 766,302 4.416,305 100.8,306 117.102,313 2.14,314 26.752,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 62,326 377,327 4.035,328 3.681,329 5.584,330 3.632,331 2.687,332 3.635,333 2.443,334 7.703,335 2.582,336 3.956,337 3.016,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.655,346 2.907,347 5.113,348 3.35,349 2.374,350 2.826,351 0.86,352 6.29,353 2.296,354 3.495,355 2.66,356 5.043,357 3.188,358 2.275,359 2.767,360 0.86,361 6.117,362 2.077,363 3.38,364 2.49,365 5.027,366 3.108,367 2.169,368 2.433,369 0.286,370 6.063,371 2.018,372 2.666,373 1.973,374 3.718,375 2.584,376 1.623,377 1.68,379 3.335,380 1.552,381 2.565,382 1.822,383 3.502,384 2.142,385 1.251,386 1.578,388 2.708,389 1.112,390 2.5,391 1.671,392 3.414,393 2.057,394 1.162,395 1.5,397 2.431,398 1.027,399 2.24,400 1.331,401 3.369,402 2,403 1.014,404 1.229,406 2.275,407 1,408 2.12,409 1.183,410 3.138,411 1.924,412 1,413 1.082,415 1.894,416 0.91,417 2.118,418 1.059,419 3,420 1.612,421 0.67,422 0.927,424 1.372,425 0.62,426 1.793,427 1,428 2.824,429 1.554,430 0.618,431 0.717,433 1.253,434 0.577,435 1.655,436 0.618,437 2.722,438 1.398,439 0.523,440 0.573,442 0.857,443 0.453,444 1.092,445 0.563,446 2.515,447 0.886,448 -0.033,449 -0.035,451 -0.067,452 -0.03,453 0.988,454 0.392,455 2.249,456 0.805,457 -0.134,458 -0.144,460 -0.3,461 -0.125,462 12.967,463 0.463,464 0.379,465 0.014,466 30,467 1.071,468 12,469 0.429,470 18,471 0.643,472 25.18,473 0.899,474 33.233,475 0.573,476 21.904,477 0.782,478 6.249,479 0.223,480 7.458,481 0.266,482 0.103,484 0.185,487 0.839,488 1.652,489 0.871,490 1.471,491 0.651,492 1.218,493 1.332,494 1.034,495 1.089,496 1.01,497 0.852,498 0.997,499 1.228,500 1.007,501 1.109,502 1.038,503 1.09,504 1.054,505 1.165,506 1.054,507 1.083,508 1.087,509 1.249,510 1.074,511 1.224,512 0.991,513 1.064,514 0.997,515 1.273,516 1.003,517 0.815,518 0.884,519 0.955,520 0.897,521 0.709,522 0.945,523 0.672,524 1.142,525 0.909,526 1.114,527 0.505,528 1.064,529 1.041,530 0.89,531 0.94,532 0.84,533 0.878,534 0.859,535 4.5,536 0.131,537 1.778,538 0.972,539 0.577,540 0.479,541 0.212,542 0.234,543 0.189,544 0.155,545 10590,546 29117,547 1.996,548 51.7,549 2,550 18,551 1,552 2,554 2,555 5,558 1.71,559 1.909,560 3.701,561 -0.742,562 1,563 1,567 86.708,568 1.495,569 3.402,570 4.978,571 5.28,572 5.28,573 5.28,574 3.244,575 4.522,576 4.774,577 3.888,578 1469.69,579 8.305,580 21658.8,582 1,584 1,585 339.763,586 1.136,587 4.758,588 0.155,589 0.005,590 0.051,591 0.03,592 0.019,593 0.017,594 0.007,595 0.008,596 0.006,597 0.005,598 0.304,599 0.33,600 0.88,601 1.991,602 145.707,603 -0.009,604 -0.34,605 0.067,606 -0.224,607 0.004,608 -0.086,609 -0.098,610 0.069,611 -0.065,612 0.023,613 0.01,614 -0.008,615 -0.066,616 -0.005,617 -0.102,618 -0.026,619 -0.09,620 -0.066,621 -0.099,622 -0.071,623 -0.09,624 -0.092,625 -0.107,626 -0.09,627 -0.113,628 -0.044,629 -0.06,630 -0.032,631 -0.128,632 -0.037,633 0.152,634 0.081,635 0.027,636 0.065,637 0.11,638 0.028,640 -0.13,641 0.018,642 -0.093,643 0.01,644 -0.041,645 -0.106,646 0.071,647 0.042,648 0.101,649 -0.07,650 0.104,651 1.819,652 4.367,653 0.393,654 33.469,655 1.004,656 1.135,657 1.72,658 2.96,659 0.62,660 3.401,661 3.584,662 3.714,663 3.829,664 3.85,665 3.85,666 3.85,667 3.85,668 3.912,669 3.989,670 7.969,671 0.586,672 390.53,673 3.401,674 4.86,675 5.631,676 6.428,677 7.213,678 8.015,679 8.806,680 9.611,681 10.406,682 11.212,683 3.4,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 58,726 12,727 1,728 29,730 59,731 21,733 9,734 2,735 4,739 2,740 2,745 1,751 4,753 10,754 11,756 1,761 1,765 1,769 1,772 30,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 1,819 1,831 2,832 2,836 2,840 28,846 8,848 4,850 1,862 8.6,865 1,866 2,867 2,869 14.667,870 10.65,871 6.667,872 3.547,874 1.47,875 1.224,876 0.901,877 10.659,878 8.024,879 3.597,880 4.003,881 4.377,882 4.766,883 4.952,884 4.898,885 4.916,886 4.883,887 5.056,888 5.309,889 1,890 32,891 10.354,893 4.054,894 7.726,895 19.886,897 15.049,899 2.226,900 62.333,903 1,904 353.133,905 128.026,906 18.685,908 69.144,911 128.026,912 422.278,913 18.685,914 19.708,915 28.079,916 46.952,917 103.282,918 41.375,919 11.771,920 317.82,922 353.133,923 146.71,924 69.144,927 294.278,928 106,929 22,931 56.469,932 73.456,933 16.786,935 353.133,936 87.829,937 128.026,940 353.133,941 43.699,942 86.226,944 85.93,945 353.133,946 87.829,947 128.026,949 0.542,950 0.299,951 0.152,952 0.07,953 11,954 5,955 0.254,956 15,958 1,959 4.214,960 202.866,962 11,963 130.606,968 22.406,969 13.32,970 9.254,972 85.93,973 13.221,974 4.069,978 1.907,979 1.972,981 568.988,982 35.5,987 11.367,991 -0.153,994 58.211,995 65.856,996 0.255,997 0.581,998 0.85,999 0.901,1000 0.901,1001 0.901,1002 4.76,1003 1.162,1004 5.525,1005 2.708,1006 4.263,1007 4.687,1008 2.812,1009 6.146,1010 4.133,1011 5.861,1012 1.014,1013 6.961,1014 2.431,1015 3.434,1016 4.086,1017 2.243,1018 6.629,1019 3.286,1020 7.082,1021 1,1022 8.488,1023 2.275,1024 5.673,1025 6.627,1026 3.957,1027 9.623,1028 5.43,1029 8.336,1030 0.67,1031 10.068,1032 1.894,1033 5.707,1034 6.91,1035 4.269,1036 10.934,1037 5.429,1038 9.623,1039 0.618,1040 11.683,1041 1.372,1042 7.3,1043 8.839,1044 5.512,1045 13.348,1046 6.954,1047 10.929,1048 0.523,1049 13.319,1050 1.253,1051 7.751,1052 9.535,1053 6.158,1054 15.008,1055 7.357,1056 12.25,1057 -0.033,1058 14.97,1059 0.857,1060 9.044,1061 11.191,1062 7.214,1063 17.197,1064 8.598,1065 2.687,1066 -0.134,1067 16.63,1068 -0.067,1069 9.719,1070 12.107,1071 7.992,1072 19.027,1073 9.218,1074 2.641,1075 7.703,1076 18.298,1077 -0.3,1078 10.858,1079 13.62,1080 8.964,1081 21.12,1082 10.314,1083 2.374,1084 7.335,1085 19.97,1086 3.635,1087 11.659,1088 14.665,1089 9.802,1090 23.037,1091 11.057,1092 2.275,1093 6.29,1094 21.647,1095 3.49,1096 12.719,1097 16.095,1098 10.734,1099 25.088,1100 12.077,1101 2.169,1102 6.117,1103 23.327,1104 2.826,1105 13.591,1106 17.221,1107 11.599,1108 27.053,1109 12.892,1110 1.623,1111 6.063,1112 25.009,1113 2.767,1114 14.61,1115 18.599,1116 12.512,1117 29.086,1118 13.87,1119 1.251,1120 3.335,1121 26.694,1122 2.433,1123 15.524,1124 19.776,1125 13.391,1126 31.078,1127 14.73,1128 10665,1129 17779,1130 19.356,1131 35.944,1132 40.529,1133 41.311,1134 41.311,1135 39.972,1136 40.015,1137 48.873,1138 11.199,1139 99.266,1140 37.346,1141 5,1142 5.681,1143 5.377,1144 4.712,1145 4.687,1146 6.635,1147 4.174,1148 13.229,1149 4.582,1150 12.921,1151 1.398,1152 1.425,1153 1.425,1154 1.378,1155 1.38,1156 1.685,1157 0.386,1158 3.423,1159 1.288,1160 3.962,1161 4.016,1162 3.893,1163 3.853,1164 7.432,1165 3.854,1166 3.903,1167 3.936,1168 3.842,1169 3.723,1170 4.962,1171 3.75,1172 3.752,1173 3.795,1174 3.636,1175 3.579,1176 4.876,1177 3.581,1178 3.585,1179 3.619,1180 3.477,1181 3.355,1182 4.646,1183 3.375,1184 3.475,1185 3.538,1186 3.304,1187 3.271,1188 4.474,1189 3.266,1190 3.318,1191 3.367,1192 3.164,1193 3.082,1194 4.45,1195 3.094,1196 3.23,1197 3.293,1198 3.044,1199 3.016,1200 4.256,1201 3.013,1202 3.072,1203 3.146,1204 2.864,1205 2.822,1206 3.912,1207 2.813,1208 0.139,1209 0.127,1210 0.193,1211 0.125,1212 0.093,1213 4.035,1214 0.125,1215 3.681,1216 0.084,1217 5.584,1218 0.266,1219 3.632,1220 0.089,1221 2.687,1222 3.635,1223 2.443,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.016,1229 2.008,1230 1.288,1231 2.01,1232 1.738,1233 1.691,1234 1.964,1235 1.947,1236 1.185,1237 1.949,1238 1.658,1239 1.604,1240 1.859,1241 1.874,1242 1.122,1243 1.874,1244 1.48,1245 1.414,1246 1.798,1247 1.731,1248 0.94,1249 1.752,1250 1.363,1251 1.31,1252 1.597,1253 1.622,1254 0.768,1255 1.611,1256 1.282,1257 1.22,1258 1.559,1259 1.534,1260 0.696,1261 1.543,1262 1.247,1263 1.186,1264 1.508,1265 1.52,1266 0.604,1267 1.509,1268 1.176,1269 1.105,1270 1.453,1271 1.456,1272 0.518,1273 1.471,1274 4.078,1276 5.293,1277 2.398,1278 6.673,1279 4.443,1280 8.129,1281 6.26,1282 9.626,1284 3.462,1290 4.635,1292 21.94,1294 -0.088,1300 33.992,1301 86.708,1302 197.315,1303 288.743,1304 306.253,1305 306.253,1306 306.253,1307 61.88,1308 6.554,1309 71.81,1310 71.81,1311 11,1312 11.807,1313 3.7,1314 2.907,1315 61.906,1316 125,1317 150,1318 0.218,1319 213.428,1320 375.45,1321 512.525,1322 5684,1324 20.029,1325 0.715,1326 0.597,1327 20.029,1328 16.711,1329 13.707,1330 0.473,1331 0.333,1332 9.436,1333 12.886,1334 9.199,1335 7.66,1336 13.707,1337 9.645,1338 11.01,1339 0.315,1340 0.182,1341 11.01,1342 6.378,1343 8.501,1344 0.213,1345 0.103,1346 8.501,1347 4.139,1348 6.461,1349 0.144,1350 0.059,1351 6.461,1352 2.668,1353 4.249,1354 0.092,1355 0.034,1356 4.249,1357 1.587,1358 0.355,1359 87.864,1360 0.227,1361 27.743,1362 0.564,1363 128,1364 449.968,1365 146.692,1366 406.132,1367 532.52,1368 384,1369 139,1370 357.748,1371 156.978,1372 356.369,1373 508.36,1374 331,1375 6.125} {0 CHEMBL53644,1 1.253,2 7.235,3 3.107,4 9.651,5 70.266,6 6.467,7 0.579,8 3.631,9 3.766,10 3.107,11 3.218,12 4.557,13 3.158,14 4.205,15 4.402,16 3.404,17 3.643,18 5.02,19 3.543,20 4.486,21 4.741,22 3.323,23 3.775,24 5.145,25 3.606,26 4.513,27 4.785,28 3.188,29 3.722,30 5.149,31 3.523,32 4.469,33 4.767,34 3.039,35 3.584,36 5.086,37 3.373,38 4.293,39 4.605,40 2.938,41 3.378,42 4.946,43 3.188,44 4.024,45 4.32,46 2.832,47 3.174,48 4.794,49 3.023,50 3.727,51 4.004,52 2.455,53 2.884,54 4.561,55 2.71,56 0.039,57 0.503,58 8.206,59 3.387,60 6.647,61 4.885,62 0.125,63 0.852,64 14.982,65 5.857,66 10.901,67 8.527,68 0.107,69 1.022,70 19.757,71 8.303,72 11.807,73 11.987,74 0.11,75 1.026,76 20.364,77 8.437,78 12.996,79 12.254,80 0.121,81 0.959,82 19.649,83 7.705,84 13.979,85 11.378,86 0.113,87 0.804,88 16.576,89 6.156,90 13.137,91 9.238,92 0.101,93 0.636,94 12.696,95 4.434,96 12.702,97 6.749,98 0.07,99 0.473,100 9.335,101 3.333,102 11.418,103 5.04,105 25,106 0.232,107 0.565,108 0.782,109 0.864,110 0.885,111 0.895,112 2.908,113 1.021,114 -4.5,115 -4.43,116 -4.17,118 42.9,120 4,121 1,124 1,140 4,141 2,143 1,149 1,156 1,168 12,171 1,172 1,180 16,186 1,194 15,198 3,206 9,210 4,218 3,222 5,234 4,247 3,259 1,270 313,271 11.983,272 11.983,273 11.983,274 11.983,275 11.983,276 10.635,277 11.664,278 7.356,279 12.168,280 9.415,281 9.415,282 9.415,283 9.415,284 9.415,285 7.456,286 7.968,287 3.499,288 9.699,289 3.876,290 2.07,291 0.9,292 0.457,293 0.343,294 0.286,295 3.593,299 1,300 1,301 271,302 2,305 41.639,306 75.449,310 64.752,313 1.073,314 4.526,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 35,326 123,327 4.307,328 3.263,329 6.506,330 4.031,331 3.032,332 3.87,334 10.196,335 3.03,336 3.919,337 2.647,338 5.374,339 3.459,340 2.54,341 3.478,343 7.036,344 2.337,345 3.289,346 2.284,347 5.173,348 3.088,349 2.095,350 2.429,352 6.183,353 2.076,354 2.944,355 1.709,356 4.169,357 2.618,358 1.618,359 2.104,361 3.807,362 1.618,363 2.7,364 1.405,365 3.613,366 2.301,367 1.336,368 1.767,370 2.927,371 1.293,372 2.56,373 1.286,374 3.529,375 2.24,376 1.26,377 1.575,379 2.76,380 1.228,381 2.196,382 0.956,383 3.307,384 1.929,385 0.948,386 1.152,388 2.168,389 0.929,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.607,400 0.499,401 2.901,402 1.413,403 0.438,404 0.499,406 1.011,407 0.426,408 0.843,409 -0.208,410 2.365,411 0.624,412 -0.361,413 -0.407,415 -0.886,416 -0.354,417 0.68,418 -0.502,419 2.143,420 0.382,421 -0.618,422 -0.73,424 -1.478,425 -0.618,426 0.451,427 -0.78,428 2,429 0.095,430 -0.886,431 -1.102,433 -2.184,434 -0.864,435 0.088,436 -1.088,437 1.749,438 -0.202,439 -1.166,440 -1.459,442 -2.725,443 -1.127,444 -0.118,445 -1.408,446 1.179,447 -0.568,448 -1.555,449 -1.805,451 -3.984,452 -1.47,453 -0.312,454 -1.593,455 1,456 -0.7,457 -1.618,458 -2.099,460 -4.372,461 -1.529,462 8.3,463 0.488,464 0.239,465 0.014,466 20.75,467 1.221,468 10,469 0.588,470 10.75,471 0.632,472 12.804,473 0.753,474 18.1,475 0.517,476 10.499,477 0.618,478 3.726,479 0.219,480 4.706,481 0.277,484 0.229,487 0.895,488 1.336,489 0.909,490 1.113,491 0.662,492 1.03,493 1.222,494 1.004,495 1.091,496 1.024,497 0.904,498 1.044,499 0.757,500 0.977,501 1.04,502 1.069,503 0.814,504 1.073,505 0.724,506 1.074,507 1.078,508 1.149,509 0.932,510 1.14,511 0.844,512 1.006,513 0.992,514 1.029,515 0.922,516 1.022,517 0.96,518 0.923,519 0.847,520 0.859,521 0.824,522 0.848,523 1.39,524 0.867,525 0.894,526 0.779,527 1.128,528 0.798,529 1.397,530 1.123,531 1.133,532 1.074,533 1.649,534 1.083,535 2,537 1.556,538 0.66,539 0.521,540 0.212,541 0.143,542 0.069,543 0.039,544 0.007,545 2588,546 5128,547 2.2,548 51.4,549 7,550 6,551 1,552 2,555 2,558 1.568,559 2.17,560 2.89,561 -0.865,563 1,564 1,565 1,567 43.863,568 1.253,569 3.059,570 4.229,571 4.672,572 4.786,573 4.844,574 2.257,575 3.617,576 4.063,577 2.999,578 407.91,579 6.858,580 3696.54,581 1,582 1,584 1,585 179.525,586 0.787,587 4.063,588 0.105,590 0.062,591 0.03,592 0.029,593 0.014,594 0.01,595 0.005,596 0.005,597 0.003,598 0.264,599 0.83,600 1,602 70.254,603 0.106,604 -0.177,605 0.081,606 -0.046,607 0.271,608 0.005,609 -0.025,610 0.106,611 -0.098,612 -0.017,613 0.015,614 -0.055,615 -0.073,616 -0.015,617 -0.09,618 -0.058,619 -0.098,620 -0.072,621 -0.038,622 -0.141,623 -0.131,624 -0.155,625 -0.147,626 -0.15,628 -0.093,629 -0.033,630 -0.068,631 -0.078,632 -0.056,633 0.065,634 -0.006,635 0.127,636 0.078,637 0.103,638 0.102,639 -0.062,640 0.114,641 0.104,642 0.143,643 0.106,644 0.136,645 -0.13,646 -0.134,647 -0.145,648 -0.143,649 -0.107,650 -0.144,651 0.595,652 1.093,653 0.882,654 9.848,655 0.979,656 1.123,657 3.272,658 10.707,659 0.66,660 2.996,661 3.258,662 3.526,663 3.761,664 3.871,665 3.829,666 3.912,667 3.97,668 4.007,669 3.784,670 4.533,671 0.607,672 226.35,673 2.996,674 4.489,675 5.323,676 6.172,677 7.02,678 7.875,679 8.729,680 9.586,681 10.442,682 11.301,683 5.7,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 35,726 11,727 1,728 19,730 37,731 15,733 9,734 2,735 4,739 3,740 4,748 3,749 1,751 4,753 9,754 6,755 1,769 1,772 18,773 1,775 2,778 1,779 2,784 0.667,801 1,802 2,806 1,832 2,840 17,846 5,850 1,869 7.833,870 6.067,871 3.806,872 2.332,874 1.905,875 1.301,876 0.996,877 3.06,878 8.232,879 3.239,880 3.755,881 4.278,882 4.766,883 5,884 4.983,885 5.224,886 5.462,887 5.719,888 5.749,889 0.8,890 22,891 6.299,893 2.622,894 7.333,895 12.732,897 10.807,899 1.833,900 31.167,901 0.007,904 211.88,905 83.233,906 18.685,911 83.233,912 211.88,913 18.685,915 12.244,916 46.952,917 48.946,918 17.318,919 11.771,920 176.567,922 211.88,923 101.918,927 188.338,928 23.542,931 31.809,932 53.324,933 16.786,935 211.88,936 18.685,937 83.233,940 211.88,941 18.615,942 66.518,944 16.786,945 211.88,946 18.685,947 83.233,949 0.563,950 0.332,951 0.186,952 0.088,953 13,954 4,955 0.081,956 3,957 1,958 1.133,959 3.108,960 117.586,961 0.133,962 15,963 67.487,968 10.733,969 4.847,970 2.32,972 16.786,973 14.759,974 4.093,978 3.147,979 2.178,981 313.798,982 24.5,994 34.272,995 39.318,996 0.244,997 0.596,998 0.824,999 0.911,1000 0.933,1001 0.944,1002 4.428,1003 0.618,1004 5.252,1005 2.168,1006 3.932,1007 4.437,1009 5.999,1010 3.882,1011 5.569,1012 0.438,1013 6.758,1014 1.372,1015 3.219,1016 3.861,1018 6.783,1019 3.152,1020 6.826,1021 -0.361,1022 8.372,1023 1.011,1024 5.442,1025 6.498,1027 9.897,1028 5.355,1029 8.123,1030 -0.618,1031 10.055,1032 -0.886,1033 5.673,1034 6.88,1036 11.613,1037 5.577,1038 9.459,1039 -0.886,1040 11.787,1041 -1.478,1042 7.249,1043 8.846,1045 14.198,1046 7.144,1047 10.82,1048 -1.166,1049 13.551,1050 -2.184,1051 7.933,1052 9.679,1054 16.275,1055 7.831,1056 12.202,1057 -1.555,1058 15.339,1059 -2.725,1060 9.232,1061 11.342,1063 18.691,1064 9.127,1065 3.032,1066 -1.618,1067 17.145,1068 -3.984,1069 10.134,1070 12.402,1072 20.913,1073 10.04,1074 2.54,1075 10.196,1076 18.964,1077 -4.372,1078 11.315,1079 13.916,1081 23.271,1082 11.222,1083 2.095,1084 7.036,1085 20.793,1086 3.87,1087 12.322,1088 15.097,1090 25.55,1091 12.24,1092 1.618,1093 6.183,1094 22.631,1095 3.478,1096 13.454,1097 16.534,1099 27.887,1100 13.376,1101 1.336,1102 3.807,1103 24.475,1104 2.429,1105 14.511,1106 17.781,1108 30.19,1109 14.442,1110 1.26,1111 2.927,1112 26.324,1113 2.104,1114 15.624,1115 19.177,1117 32.518,1118 15.56,1119 0.948,1120 2.76,1121 28.177,1122 1.767,1123 16.705,1124 20.462,1126 34.832,1127 16.649,1128 2466,1129 3529,1130 13.405,1131 23.103,1132 28.07,1133 27.668,1134 27.776,1135 27.741,1136 27.769,1137 35.603,1139 74.92,1140 27.03,1141 5.258,1142 5.263,1143 6.195,1144 5.062,1145 5.032,1146 6.87,1148 16.977,1149 5.03,1151 1.477,1152 1.456,1153 1.462,1154 1.46,1155 1.462,1156 1.874,1158 3.943,1159 1.423,1160 4.034,1161 4.075,1162 3.958,1163 3.967,1164 4.954,1165 3.959,1166 3.895,1167 3.956,1168 3.834,1169 3.699,1170 4.737,1171 3.725,1172 3.541,1173 3.599,1174 3.402,1175 3.435,1176 4.108,1177 3.42,1178 3.335,1179 3.411,1180 3.155,1181 3.196,1182 3.859,1183 3.176,1184 2.97,1185 3.052,1186 2.79,1187 2.822,1188 3.658,1189 2.804,1190 2.757,1191 2.829,1192 2.598,1193 2.641,1194 3.366,1195 2.623,1196 2.661,1197 2.756,1198 2.441,1199 2.486,1200 3.35,1201 2.461,1202 2.481,1203 2.581,1204 2.263,1205 2.292,1206 3.259,1207 2.273,1208 0.227,1209 0.172,1210 0.342,1211 0.212,1212 0.16,1213 4.307,1214 0.204,1215 3.263,1217 6.506,1218 0.537,1219 4.031,1220 0.159,1221 3.032,1222 3.87,1224 10.196,1225 3.03,1226 2.014,1227 1.984,1228 2.151,1229 2.098,1230 1.489,1231 2.118,1232 1.664,1233 1.604,1234 1.859,1235 1.861,1236 1.12,1237 1.861,1238 1.512,1239 1.449,1240 1.751,1241 1.677,1242 0.933,1243 1.707,1244 1.316,1245 1.252,1246 1.526,1247 1.527,1248 0.722,1249 1.523,1250 1.213,1251 1.14,1252 1.43,1253 1.431,1254 0.485,1255 1.449,1256 0.919,1257 0.84,1258 1.246,1259 1.135,1260 0.346,1261 1.182,1262 0.775,1263 0.71,1264 1.084,1265 0.958,1266 0.211,1267 1.005,1268 0.649,1269 0.555,1270 1.019,1271 0.881,1272 0.136,1273 0.934,1274 3.664,1276 4.934,1277 2.398,1278 6.412,1279 4.443,1280 7.989,1281 6.26,1282 9.619,1290 6.251,1294 0.738,1300 21.257,1301 43.863,1302 107.065,1303 148.015,1304 163.525,1305 167.525,1306 169.525,1307 16.778,1308 6.328,1309 17.82,1310 17.82,1311 17,1312 11.853,1313 3.585,1314 2.7,1315 23.77,1316 45,1317 39,1318 0.258,1319 131.427,1320 217.98,1321 312.442,1322 4196,1324 11.502,1325 0.677,1326 0.591,1327 11.502,1328 10.049,1329 8.433,1330 0.444,1331 0.34,1332 6.423,1333 8.256,1334 6.289,1335 5.212,1336 8.433,1337 6.468,1338 7.127,1339 0.285,1340 0.195,1341 7.127,1342 4.877,1343 6.144,1344 0.186,1345 0.115,1346 6.144,1347 3.789,1348 5.179,1349 0.123,1350 0.069,1351 5.179,1352 2.878,1353 3.794,1354 0.081,1355 0.043,1356 3.794,1357 2.038,1358 0.394,1359 51.708,1360 0.273,1361 17.175,1362 0.73,1363 88,1364 181.29,1365 91.525,1366 183.024,1367 258.94,1368 174,1369 102,1370 194.93,1371 106.024,1372 201.109,1373 289.48,1374 190,1375 5.469} {0 CHEMBL53656,1 1.459,2 15.133,3 3.251,4 10.569,5 115.601,6 6.54,7 0.355,8 4.216,9 4.336,10 3.655,11 3.642,12 5.225,13 3.616,14 4.796,15 4.988,16 3.887,17 3.97,18 5.757,19 3.911,20 4.989,21 5.219,22 3.847,23 4.063,24 5.861,25 3.955,26 5.02,27 5.265,28 3.806,29 4.061,30 5.877,31 3.938,32 5.046,33 5.301,34 3.781,35 4.047,36 5.879,37 3.919,38 5.02,39 5.285,40 3.763,41 4.036,42 5.813,43 3.901,44 4.98,45 5.238,46 3.748,47 4.048,48 5.766,49 3.911,50 5.017,51 5.286,52 3.747,53 4.059,54 5.841,55 3.915,56 0.002,57 0.84,58 15.3,59 6.149,60 9.287,61 8.425,62 0.472,63 1.25,64 28.907,65 9.323,66 41.413,67 13.176,68 0.604,69 1.39,70 35.083,71 11.381,72 48.463,73 16.279,74 0.485,75 1.415,76 36.018,77 11.604,78 52.144,79 16.842,80 0.552,81 1.414,82 37.18,83 11.574,84 56.066,85 16.954,86 0.621,87 1.405,88 36.135,89 11.275,90 50.397,91 16.787,92 0.382,93 1.411,94 34.219,95 11.241,96 41.021,97 16.677,98 0.691,99 1.445,100 35.963,101 11.209,102 58.802,103 16.939,104 23,105 37,106 0.237,107 0.536,108 0.799,109 0.869,110 0.879,111 0.879,112 3.439,113 1.03,114 -3.38,115 -3.37,116 -3.22,118 35.9,119 1,120 5,123 1,124 5,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 8,171 2,172 7,180 7,185 2,186 7,194 4,197 1,198 7,206 2,209 1,210 6,218 1,221 2,222 8,229 1,234 7,242 2,246 2,247 6,255 4,258 1,259 5,267 5,270 2126,271 20.69,272 20.69,273 20.69,274 20.69,275 20.69,276 19.19,277 22.985,278 13.175,279 21.497,280 15.258,281 15.258,282 15.258,283 15.258,284 15.258,285 12.979,286 22.094,287 6.193,288 16.322,289 4.541,290 2.7,291 1.078,292 0.649,293 0.586,294 0.586,295 4.112,299 1,300 1,301 924,302 4.637,305 109.899,306 127.935,313 2.284,314 27.039,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 66,326 454,327 4.035,328 3.681,329 5.584,330 3.632,331 2.687,332 3.635,333 2.443,334 7.703,335 2.582,336 3.956,337 3.016,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.655,346 2.907,347 5.113,348 3.351,349 2.373,350 2.825,351 0.86,352 6.29,353 2.298,354 3.496,355 2.66,356 5.042,357 3.19,358 2.278,359 2.767,360 0.86,361 6.115,362 2.078,363 3.381,364 2.49,365 5.029,366 3.11,367 2.17,368 2.434,369 0.286,370 6.066,371 2.02,372 2.804,373 1.986,374 3.832,375 2.768,376 1.783,377 1.806,379 3.624,380 1.752,381 2.584,382 1.828,383 3.514,384 2.295,385 1.361,386 1.611,388 2.799,389 1.263,390 2.5,391 1.764,392 3.477,393 2.142,394 1.247,395 1.5,397 2.695,398 1.111,399 2.379,400 1.504,401 3.414,402 2,403 1.098,404 1.376,406 2.276,407 1,408 2.183,409 1.237,410 3.288,411 1.998,412 1,413 1.167,415 2.275,416 0.976,417 2.118,418 1.136,419 3.025,420 1.885,421 0.955,422 1.022,424 1.718,425 0.876,426 2.077,427 1,428 3,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.701,436 0.949,437 2.8,438 1.51,439 0.585,440 0.629,442 1.082,443 0.529,444 1.594,445 0.618,446 2.645,447 1.387,448 0.488,449 0.522,451 0.837,452 0.436,453 1.091,454 0.505,455 2.511,456 0.896,457 -0.031,458 -0.033,460 -0.063,461 -0.028,462 13.967,463 0.466,464 0.379,465 0.013,466 31,467 1.033,468 12,469 0.4,470 19,471 0.633,472 28.86,473 0.962,474 35.833,475 0.56,476 22.345,477 0.745,478 6.249,479 0.208,480 8.458,481 0.282,482 0.095,484 0.172,487 0.833,488 1.64,489 0.906,490 1.472,491 0.646,492 1.239,493 1.303,494 1.076,495 1.107,496 1.059,497 0.834,498 1.045,499 1.172,500 1.002,501 1.078,502 1.032,503 1.038,504 1.043,505 1.118,506 1.045,507 1.057,508 1.075,509 1.195,510 1.061,511 1.179,512 0.989,513 1.041,514 0.996,515 1.225,516 0.999,517 0.967,518 0.908,519 0.967,520 0.914,521 0.817,522 0.935,523 0.926,524 1.083,525 0.996,526 1.054,527 0.83,528 1.04,529 0.874,530 0.895,531 0.981,532 0.867,533 0.77,534 0.928,535 4.5,536 0.122,537 1.778,538 0.972,539 0.577,540 0.479,541 0.253,542 0.203,543 0.164,544 0.135,545 13324,546 34971,547 1.997,548 53.1,549 6,550 18,551 1,552 2,554 2,555 5,558 1.727,559 1.915,560 3.85,561 -0.759,563 1,567 93.375,568 1.459,569 3.3,570 4.922,571 5.351,572 5.414,573 5.414,574 3.381,575 4.415,576 4.872,577 4.048,578 1760.93,579 8.495,580 27889,582 1,585 384,586 1.091,587 4.861,588 0.145,589 0.004,590 0.048,591 0.029,592 0.018,593 0.015,594 0.008,595 0.007,596 0.005,597 0.004,598 0.284,599 0.33,600 0.88,601 2.228,602 160.937,603 0.001,604 -0.312,605 0.065,606 -0.204,607 0.018,608 -0.079,609 -0.076,610 0.037,611 -0.073,612 -0.009,613 0.026,614 -0.035,615 -0.038,616 -0.004,617 -0.072,618 -0.02,619 -0.06,620 -0.049,621 -0.075,622 -0.063,623 -0.065,624 -0.079,625 -0.079,626 -0.072,627 -0.089,628 -0.039,629 -0.042,630 -0.027,631 -0.103,632 -0.028,633 0.009,634 0.054,635 0.017,636 0.048,637 -0.004,638 0.036,639 -0.07,640 -0.084,641 -0.034,642 -0.051,643 -0.053,644 -0.038,645 0.029,646 0.089,647 -0.007,648 0.095,649 0.025,650 0.047,651 1.775,652 4.333,653 0.367,654 39.916,655 1,656 1.136,657 2.154,658 4.64,659 0.617,660 3.466,661 3.638,662 3.761,663 3.871,664 3.892,665 3.892,666 3.892,667 3.871,668 3.932,669 4.007,670 8.776,671 0.579,672 418.59,673 3.466,674 4.92,675 5.687,676 6.479,677 7.259,678 8.057,679 8.844,680 9.645,681 10.436,682 11.239,683 3.1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 64,726 12,727 1,728 31,730 65,731 23,733 9,734 2,735 4,739 2,740 2,745 1,751 6,753 10,754 13,756 1,761 1,765 1,772 34,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 1,819 1,831 2,832 2,836 2,840 30,846 10,848 4,850 1,862 7.8,865 1,866 2,867 2,869 15.667,870 11.65,871 7.167,872 4.047,874 1.422,875 1.213,876 0.9,877 12.192,878 8.085,879 3.651,880 4.039,881 4.402,882 4.783,883 4.966,884 4.913,885 4.931,886 4.883,887 5.056,888 5.299,889 1,890 34,891 11.109,893 4.338,894 7.678,895 21.519,897 16.382,899 2.178,900 65.333,904 400.217,905 133.095,906 18.685,908 69.144,911 133.095,912 469.362,913 18.685,914 19.708,915 33.148,916 46.952,917 103.282,918 41.375,919 11.771,920 364.904,922 400.217,923 151.78,924 69.144,927 341.362,928 106,929 22,931 61.538,932 73.456,933 16.786,935 400.217,936 87.829,937 133.095,940 400.217,941 48.768,942 86.226,944 85.93,945 400.217,946 87.829,947 133.095,949 0.539,950 0.296,951 0.15,952 0.07,953 11,954 5,955 0.262,956 17,958 1,959 4.447,960 219.649,962 11,963 140.452,968 24.387,969 14.999,970 10.645,972 85.93,973 13.338,974 4.094,978 1.932,979 2.001,981 621.141,982 37.5,987 11.333,991 -0.108,994 63.978,995 72.687,996 0.243,997 0.55,998 0.82,999 0.892,1000 0.902,1001 0.902,1002 4.81,1003 1.247,1004 5.572,1005 2.799,1006 4.317,1007 4.723,1008 2.812,1009 6.18,1010 4.195,1011 5.9,1012 1.098,1013 6.999,1014 2.695,1015 3.434,1016 4.086,1017 2.243,1018 6.629,1019 3.286,1020 7.114,1021 1,1022 8.516,1023 2.276,1024 5.714,1025 6.643,1026 3.957,1027 9.636,1028 5.481,1029 8.36,1030 0.955,1031 10.089,1032 2.275,1033 5.707,1034 6.91,1035 4.269,1036 10.934,1037 5.429,1038 9.641,1039 0.618,1040 11.698,1041 1.718,1042 7.327,1043 8.845,1044 5.512,1045 13.352,1046 6.991,1047 10.943,1048 0.585,1049 13.33,1050 1.372,1051 7.751,1052 9.535,1053 6.158,1054 15.008,1055 7.357,1056 12.261,1057 0.488,1058 14.978,1059 1.082,1060 9.06,1061 11.193,1062 7.214,1063 17.198,1064 8.624,1065 2.687,1066 -0.031,1067 16.636,1068 0.837,1069 9.719,1070 12.107,1071 7.992,1072 19.027,1073 9.218,1074 2.641,1075 7.703,1076 18.302,1077 -0.063,1078 10.868,1079 13.62,1080 8.964,1081 21.12,1082 10.331,1083 2.373,1084 7.335,1085 19.973,1086 3.635,1087 11.659,1088 14.665,1089 9.802,1090 23.037,1091 11.057,1092 2.278,1093 6.29,1094 21.649,1095 3.49,1096 12.724,1097 16.095,1098 10.734,1099 25.088,1100 12.087,1101 2.17,1102 6.115,1103 23.328,1104 2.825,1105 13.591,1106 17.221,1107 11.599,1108 27.053,1109 12.892,1110 1.783,1111 6.066,1112 25.01,1113 2.767,1114 14.613,1115 18.599,1116 12.512,1117 29.086,1118 13.877,1119 1.361,1120 3.624,1121 26.694,1122 2.434,1123 15.524,1124 19.776,1125 13.391,1126 31.078,1127 14.73,1128 13393,1129 21803,1130 20.742,1131 39.466,1132 43.055,1133 43.899,1134 43.893,1135 42.53,1136 42.568,1137 51.426,1138 11.199,1139 104.375,1140 39.898,1141 5.009,1142 5.681,1143 5.45,1144 4.711,1145 4.687,1146 6.635,1147 4.174,1148 13.229,1149 4.582,1150 13.686,1151 1.389,1152 1.416,1153 1.416,1154 1.372,1155 1.373,1156 1.659,1157 0.361,1158 3.367,1159 1.287,1160 3.964,1161 4.017,1162 3.894,1163 3.854,1164 7.432,1165 3.854,1166 3.903,1167 3.937,1168 3.842,1169 3.726,1170 4.962,1171 3.751,1172 3.783,1173 3.835,1174 3.653,1175 3.634,1176 4.876,1177 3.627,1178 3.627,1179 3.662,1180 3.514,1181 3.409,1182 4.646,1183 3.425,1184 3.527,1185 3.576,1186 3.385,1187 3.317,1188 4.471,1189 3.325,1190 3.395,1191 3.466,1192 3.207,1193 3.209,1194 4.456,1195 3.192,1196 3.295,1197 3.35,1198 3.13,1199 3.065,1200 4.258,1201 3.076,1202 3.132,1203 3.191,1204 2.943,1205 2.881,1206 4.056,1207 2.884,1208 0.13,1209 0.119,1210 0.18,1211 0.117,1212 0.087,1213 4.035,1214 0.117,1215 3.681,1216 0.079,1217 5.584,1218 0.248,1219 3.632,1220 0.083,1221 2.687,1222 3.635,1223 2.443,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.021,1229 2.008,1230 1.366,1231 2.01,1232 1.777,1233 1.724,1234 2.012,1235 1.959,1236 1.197,1237 1.975,1238 1.684,1239 1.631,1240 1.878,1241 1.903,1242 1.125,1243 1.9,1244 1.535,1245 1.483,1246 1.813,1247 1.78,1248 1.052,1249 1.787,1250 1.425,1251 1.35,1252 1.731,1253 1.655,1254 0.934,1255 1.68,1256 1.351,1257 1.298,1258 1.596,1259 1.607,1260 0.701,1261 1.603,1262 1.281,1263 1.219,1264 1.544,1265 1.527,1266 0.643,1267 1.529,1268 1.204,1269 1.135,1270 1.453,1271 1.497,1272 0.602,1273 1.498,1274 4.143,1276 5.352,1277 2.398,1278 6.723,1279 4.443,1280 8.169,1281 6.26,1282 9.659,1284 3.486,1290 7.212,1292 22.09,1294 -0.044,1300 37.046,1301 93.375,1302 211.212,1303 314.98,1304 342.49,1305 346.49,1306 346.49,1307 70.763,1308 6.663,1309 71.81,1310 71.81,1311 11,1312 11.836,1313 3.7,1314 2.907,1315 69.345,1316 148,1317 182,1318 0.205,1319 232.613,1320 410.05,1321 559.336,1322 6772,1324 21.443,1325 0.715,1326 0.604,1327 21.443,1328 18.126,1329 14.707,1330 0.474,1331 0.343,1332 10.436,1333 13.886,1334 10.18,1335 8.493,1336 14.707,1337 10.645,1338 11.717,1339 0.317,1340 0.191,1341 11.717,1342 7.085,1343 9.001,1344 0.214,1345 0.11,1346 9.001,1347 4.639,1348 6.814,1349 0.145,1350 0.064,1351 6.814,1352 3.021,1353 4.499,1354 0.094,1355 0.038,1356 4.499,1357 1.821,1358 0.338,1359 93.864,1360 0.22,1361 29.617,1362 0.521,1363 136,1364 457.968,1365 154.692,1366 414.455,1367 544.04,1368 392,1369 147,1370 365.748,1371 164.978,1372 364.692,1373 519.88,1374 339,1375 5.398} {0 CHEMBL536794,1 1.423,2 9.263,3 3.173,4 10.065,5 74.997,6 7.451,7 0.6,8 3.595,9 3.698,10 3.148,11 3.205,12 4.799,13 3.171,14 4.044,15 4.196,16 3.434,17 3.543,18 5.319,19 3.48,20 4.251,21 4.427,22 3.39,23 3.663,24 5.297,25 3.555,26 4.352,27 4.59,28 3.3,29 3.613,30 5.335,31 3.478,32 4.309,33 4.539,34 3.225,35 3.489,36 5.428,37 3.371,38 4.136,39 4.381,40 3.062,41 3.275,42 5.253,43 3.168,44 3.827,45 4.052,46 2.722,47 3.019,48 4.884,49 2.899,50 3.622,51 3.892,52 2.573,53 2.827,54 4.495,55 2.698,56 0.022,57 0.423,58 6.493,59 3.194,60 7.937,61 3.985,62 0.143,63 0.664,64 11.111,65 5.039,66 32.384,67 6.61,68 0.083,69 0.802,70 14.162,71 6.419,72 23.288,73 8.41,74 0.088,75 0.877,76 17.098,77 7.165,78 23.081,79 9.894,80 0.172,81 0.8,82 17.063,83 6.672,84 42.652,85 8.778,86 0.152,87 0.681,88 14.621,89 5.406,90 35.434,91 7.229,92 0.121,93 0.5,94 10.386,95 3.928,96 26.757,97 5.145,98 0.047,99 0.407,100 8.633,101 3.491,102 13.47,103 4.932,104 13,105 26,106 0.262,107 0.614,108 0.769,109 0.843,110 0.858,111 0.858,112 3.008,113 0.907,114 -3.68,115 -3.64,116 -3.47,118 47.1,119 1,120 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 16,181 1,186 3,191 1,194 15,195 2,198 3,203 2,206 11,207 2,210 4,215 2,218 8,219 2,222 4,227 2,229 6,230 1,234 2,239 1,242 4,243 1,247 2,252 1,255 3,256 1,259 3,264 1,267 2,268 1,270 397,271 12.637,272 12.637,273 12.637,274 12.637,275 12.637,276 10.759,277 11.979,278 7.744,279 12.708,280 9.894,281 9.894,282 9.894,283 9.894,284 9.894,285 7.186,286 14.087,287 3.723,288 9.994,289 3.665,290 1.754,291 0.912,292 0.515,293 0.434,294 0.434,295 3.667,298 1,299 1,300 1,301 362,302 3.082,306 135.06,313 1.723,314 14.946,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 40.5,326 176,327 4.236,328 3.491,329 6.048,330 3.851,331 2.851,332 3.82,333 1.437,334 8.671,335 2.849,336 3.971,337 2.996,338 5.567,339 3.614,340 2.618,341 3.477,342 0.68,343 7.64,344 2.606,345 3.709,346 2.788,347 5.044,348 3.252,349 2.257,350 3.147,352 6.112,353 2.239,354 3.419,355 2.303,356 4.706,357 3.034,358 2.032,359 2.642,361 5.202,362 2.017,363 2.894,364 1.603,365 3.851,366 2.414,367 1.445,368 2.044,370 3.152,371 1.397,372 2.716,373 1.415,374 3.578,375 2.192,376 1.194,377 1.686,379 2.903,380 1.187,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 1.395,400 0.569,401 2.814,402 1.075,403 0.081,404 0.102,406 0.208,407 0.081,408 0.948,409 0.325,410 2.327,411 0.565,412 -0.443,413 -0.54,415 -1.076,416 -0.435,417 0.722,418 -0.118,419 2,420 0.371,421 -0.62,422 -0.768,424 -1.366,425 -0.608,426 0.5,427 -0.392,428 1.704,430 -1,431 -1.385,433 -2,434 -0.973,435 0.5,436 -0.979,437 1.555,438 -0.019,439 -1,440 -1.461,442 -2.347,443 -0.981,444 0.398,445 -1,446 1.471,447 -0.025,448 -1,449 -1.5,451 -2.769,452 -1,453 0.254,454 -1,455 1.044,456 -0.134,457 -1.114,458 -1.5,460 -3,461 -1.093,462 9.067,463 0.477,464 0.438,465 0.023,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 11.685,473 0.615,474 19.733,475 0.58,476 16.907,477 0.89,478 5.457,479 0.287,480 3.691,481 0.194,482 0.129,484 0.276,487 0.749,488 1.043,489 0.807,490 0.955,491 0.735,492 0.902,493 0.448,494 0.989,495 0.845,496 0.974,497 0.366,498 0.962,499 0.72,500 1.153,501 1.129,502 1.186,503 0.762,504 1.215,505 0.522,506 1.031,507 0.944,508 1.088,509 0.491,510 1.075,511 1.136,512 0.989,513 1.031,514 0.995,515 1.166,516 1.005,517 1.142,518 0.924,519 0.952,520 0.9,521 1.1,522 0.897,523 1.258,524 0.989,525 1.183,526 1.015,527 1.273,528 1.075,529 0.429,530 0.866,531 0.657,532 0.859,533 0.47,534 0.804,535 4,536 0.066,537 1.556,538 0.938,539 0.733,540 0.389,541 0.241,542 0.26,543 0.086,544 0.084,545 3368,546 10272,547 1.995,548 44.1,549 5,550 7,552 2,553 1,558 1.596,559 1.869,560 3.207,561 -0.353,563 1,565 1,567 48.37,568 1.423,569 3.333,570 4.175,571 4.572,572 4.653,573 4.653,574 2.76,575 3.577,576 4.216,577 3.365,578 575.402,579 7.151,580 5834.85,581 1,582 1,584 1,585 172.974,586 1.384,587 4.178,588 0.2,589 0.008,590 0.06,591 0.039,592 0.035,593 0.02,594 0.015,595 0.024,596 0.009,597 0.009,598 0.419,599 0.83,600 1,601 1.315,602 84.193,603 -0.061,605 0.004,606 0.046,607 -0.094,608 0.034,609 0.213,610 0.041,611 0.013,612 0.015,613 0.266,614 -0.007,615 -0.09,616 -0.168,617 -0.256,618 -0.193,619 -0.114,620 -0.242,621 0.038,622 -0.07,623 -0.007,624 -0.103,625 0.049,626 -0.065,627 -0.091,628 -0.062,629 -0.032,630 -0.017,631 -0.081,632 -0.019,633 -0.071,634 0.03,635 0.071,636 0.061,637 -0.031,638 0.084,639 -0.176,640 -0.022,641 -0.189,642 -0.057,643 -0.192,644 -0.113,645 0.138,646 0.054,647 0.331,648 0.139,649 0.1,650 0.243,651 2.586,652 3.608,653 0.632,654 16.006,655 0.998,656 1.112,657 2.446,658 5.983,659 0.684,660 3.045,661 3.296,662 3.434,663 3.611,664 3.761,665 3.664,666 3.714,667 3.807,668 3.714,669 3.611,670 5.582,671 0.651,672 253.32,673 3.045,674 4.533,675 5.323,676 6.155,677 6.963,678 7.799,679 8.615,680 9.452,681 10.272,682 11.11,683 2.9,693 1,699 8,700 1,704 3,706 12,724 34,726 14,727 1,728 20,730 35,731 16,733 11,734 2,735 4,736 3,739 2,740 2,745 1,751 1,753 14,754 2,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 19,845 1,846 1,862 5.9,864 1,865 1,869 10.167,870 6.317,871 4.278,872 1.899,874 2.572,875 1.421,876 0.935,877 4.219,878 8.677,879 3.367,880 3.912,881 4.382,882 4.879,883 5.38,884 5.418,885 5.747,886 6.142,887 6.369,888 6.545,889 1,890 24,891 6.961,893 2.82,894 7.912,895 13.124,897 10.22,899 2.412,900 45.833,901 0.001,904 164.795,905 109.44,906 16.786,908 67.828,911 109.44,912 232.624,913 16.786,914 8.825,915 2.535,916 66.334,917 109.066,918 30.837,920 141.253,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 29.455,932 70.51,933 26.262,935 164.795,936 84.614,937 109.44,940 164.795,941 16.187,942 93.254,944 84.614,945 164.795,946 84.614,947 109.44,949 0.566,950 0.301,951 0.158,952 0.084,953 11,954 5,955 0.114,956 4,958 1,959 3.215,960 126.025,962 12,963 76.711,968 13.191,969 6.077,970 3.869,972 84.614,973 15.486,974 4.085,978 3.269,980 42.683,981 358.85,982 28,987 10.608,989 1.218,991 -0.169,994 33.942,995 37.824,996 0.28,997 0.655,998 0.821,999 0.899,1000 0.915,1001 0.915,1002 4.543,1003 1,1004 5.273,1005 2.275,1006 3.97,1007 4.595,1008 1.801,1009 5.969,1010 3.954,1011 5.735,1012 0.081,1013 6.76,1014 2.136,1015 3.434,1016 4.182,1018 6.629,1019 3.426,1020 7.008,1021 -0.443,1022 8.343,1023 0.208,1024 5.451,1025 6.694,1026 2.297,1027 9.645,1028 5.428,1029 8.312,1030 -0.62,1031 9.98,1032 -1.076,1033 5.673,1034 7.014,1036 11.105,1037 5.663,1038 9.641,1039 -1,1040 11.652,1041 -1.366,1042 7.18,1043 9.022,1044 2.933,1045 13.611,1046 7.154,1047 10.988,1048 -1,1049 13.349,1050 -2,1051 7.775,1052 9.717,1054 15.421,1055 7.762,1056 12.35,1057 -1,1058 15.064,1059 -2.347,1060 9.04,1061 11.463,1062 3.621,1063 17.722,1064 9.014,1065 2.851,1066 -1.114,1067 16.792,1068 -2.769,1069 9.834,1070 12.382,1072 19.701,1073 9.818,1074 2.618,1075 8.671,1076 18.53,1077 -3,1078 10.978,1079 13.972,1080 4.33,1081 21.913,1082 10.952,1083 2.257,1084 7.64,1085 20.276,1086 3.82,1087 11.881,1088 15.032,1090 23.976,1091 11.862,1092 2.032,1093 6.112,1094 22.029,1095 3.477,1096 12.964,1097 16.524,1098 5.048,1099 26.15,1100 12.939,1101 1.445,1102 5.202,1103 23.788,1104 3.147,1105 13.926,1106 17.678,1108 28.254,1109 13.906,1110 1.194,1111 3.152,1112 25.551,1113 2.642,1114 14.982,1115 19.109,1116 5.769,1117 30.413,1118 14.958,1119 1,1120 2.903,1121 27.318,1122 2.044,1123 15.976,1124 20.324,1126 32.539,1127 15.955,1128 3426,1129 6054,1130 13.118,1131 23.245,1132 29.489,1133 29.683,1134 29.739,1135 28.955,1136 28.956,1137 39.836,1138 4.233,1139 76.598,1140 28.658,1141 4.989,1142 5.491,1143 5.85,1144 4.886,1145 4.851,1146 6.82,1147 2.873,1148 14.767,1149 4.849,1150 9.315,1151 1.474,1152 1.484,1153 1.487,1154 1.448,1155 1.448,1156 1.992,1157 0.212,1158 3.83,1159 1.433,1160 3.996,1161 4.024,1162 3.935,1163 3.941,1164 7.476,1165 3.936,1166 3.827,1167 3.864,1168 3.765,1169 3.738,1170 6.351,1171 3.739,1172 3.589,1173 3.613,1174 3.519,1175 3.463,1176 4.906,1177 3.467,1178 3.193,1179 3.219,1180 3.091,1181 2.998,1182 4.73,1183 3.005,1184 3.057,1185 3.132,1186 2.874,1187 2.826,1188 4.201,1189 2.84,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.849,1195 2.715,1196 2.765,1197 2.85,1198 2.621,1199 2.587,1200 3.73,1201 2.579,1202 2.641,1203 2.711,1204 2.477,1205 2.474,1206 3.674,1207 2.473,1208 0.212,1209 0.175,1210 0.302,1211 0.193,1212 0.143,1213 4.236,1214 0.191,1215 3.491,1216 0.072,1217 6.048,1218 0.434,1219 3.851,1220 0.142,1221 2.851,1222 3.82,1223 1.437,1224 8.671,1225 2.849,1226 1.977,1227 1.953,1228 2.086,1229 2.053,1230 1.244,1231 2.065,1232 1.813,1233 1.779,1234 1.936,1235 1.927,1236 1.03,1237 1.932,1238 1.553,1239 1.522,1240 1.74,1241 1.713,1242 0.807,1243 1.715,1244 1.126,1245 1.083,1246 1.391,1247 1.395,1248 0.533,1249 1.366,1250 1.028,1251 0.969,1252 1.315,1253 1.283,1254 0.269,1255 1.324,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.75,1263 0.676,1264 1.037,1265 0.986,1266 0.073,1267 1.008,1268 0.635,1269 0.564,1270 0.915,1271 0.859,1273 0.881,1274 3.714,1276 4.977,1278 6.425,1280 7.952,1282 9.518,1284 1.796,1289 8.711,1290 0.829,1300 22.139,1301 48.37,1302 113.325,1303 141.954,1304 155.464,1305 158.219,1306 158.219,1307 28.9,1308 6.105,1309 50.19,1310 50.19,1311 12,1312 11.681,1313 3.907,1314 3.17,1315 33.908,1316 65,1317 51,1318 0.267,1319 140.829,1320 246.3,1321 335.382,1322 3004,1324 13.665,1325 0.719,1326 0.563,1327 13.665,1328 10.706,1329 9.148,1330 0.457,1331 0.302,1332 5.998,1333 8.924,1334 5.788,1335 4.869,1336 9.148,1337 6.044,1338 8.127,1339 0.313,1340 0.169,1341 8.127,1342 4.401,1343 5.931,1344 0.198,1345 0.096,1346 5.931,1347 2.88,1348 4.823,1349 0.134,1350 0.053,1351 4.823,1352 1.892,1353 3.574,1354 0.085,1355 0.028,1356 3.574,1357 1.179,1358 0.423,1359 56.542,1360 0.276,1361 19.444,1362 0.716,1363 92,1364 275.53,1365 97.816,1366 272.424,1367 360.06,1368 252,1369 102,1370 250.779,1371 106.157,1372 259.847,1373 366.58,1374 242,1375 7.252} {0 CHEMBL536798,1 1.612,2 9.316,3 3.179,4 10.105,5 78.25,6 10.264,7 0.6,8 3.519,9 3.605,10 3.356,11 3.189,12 4.76,13 3.149,14 3.95,15 4.069,16 3.739,17 3.539,18 5.278,19 3.467,20 4.179,21 4.338,22 3.931,23 3.629,24 5.367,25 3.52,26 4.201,27 4.433,28 3.572,29 3.531,30 5.175,31 3.375,32 4.035,33 4.236,34 3.611,35 3.433,36 5.17,37 3.305,38 3.958,39 4.141,40 3.325,41 3.249,42 5.209,43 3.143,44 3.765,45 3.997,46 3.018,47 2.975,48 4.842,49 2.849,50 3.395,51 3.598,52 2.926,53 2.774,54 4.407,55 2.62,56 0.04,57 0.361,58 2.99,59 2.642,60 8.196,61 3.044,62 0.152,63 0.567,64 5.972,65 4.305,66 30.354,67 5.134,68 0.196,69 0.699,70 18.118,71 6.306,72 24.557,73 7.172,74 0.181,75 0.741,76 20.021,77 6.78,78 30.776,79 8.388,80 0.109,81 0.602,82 20.832,83 6.005,84 17.298,85 7.175,86 0.185,87 0.559,88 18.092,89 5.068,90 29.905,91 5.409,92 0.17,93 0.473,94 10.745,95 4.08,96 31.124,97 4.784,98 0.066,99 0.306,100 14.974,101 3.382,102 11.904,103 3.884,104 13,105 26,106 0.303,107 0.628,108 0.772,109 0.854,110 0.87,111 0.87,112 3.008,113 0.979,114 -3.8,115 -3.76,116 -3.57,117 1,118 48.4,120 1,133 1,136 1,140 6,141 3,143 2,154 1,163 1,167 1,168 11,172 2,175 1,180 14,181 2,186 4,191 2,194 12,195 1,198 2,203 1,206 9,207 2,210 4,215 2,218 8,219 2,222 4,227 2,229 5,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 1,264 1,267 1,268 1,270 398,271 12.637,272 12.637,273 12.637,274 12.637,275 12.637,276 10.759,277 10.281,278 7.693,279 12.84,280 9.874,281 9.874,282 9.874,283 9.874,284 9.874,285 7.175,286 12.16,287 3.697,288 10.261,289 3.343,290 1.614,291 0.847,292 0.411,293 0.323,294 0.323,295 3.667,298 1,299 1,300 1,301 364,302 3.082,306 135.38,313 1.773,314 15.641,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 40.25,326 177,327 4.18,328 3.649,329 5.822,330 3.757,331 2.783,332 3.753,333 1.437,334 7.993,335 2.729,336 4,337 2.978,338 5.596,339 3.602,340 2.642,341 3.476,342 0.68,343 7.632,344 2.506,345 3.798,346 2.6,347 5.261,348 3.355,349 2.378,350 3.269,352 6.565,353 2.265,354 3.396,355 2.346,356 4.936,357 3.013,358 2.02,359 2.676,361 5.762,362 1.997,363 2.871,364 2.046,365 3.606,366 2.387,367 1.421,368 2.025,370 3.045,371 1.37,372 2.659,373 1.492,374 3.507,375 2,376 1.056,377 1.515,379 2.41,380 1,381 2.5,382 1,383 3.414,384 1.959,385 1,386 1.5,388 2.275,389 0.954,390 2.5,391 1,392 3.247,393 1.955,394 1,395 1.5,397 2.136,398 0.839,399 1.462,400 0.496,401 2.83,402 1.162,403 0.206,404 0.247,406 0.502,407 0.179,408 0.989,409 0.463,410 2.348,411 0.618,412 -0.303,413 -0.37,415 -0.751,416 -0.227,417 0.638,418 0.024,419 2,420 0.122,421 -0.789,422 -1.05,424 -1.852,425 -0.618,426 0.5,427 -0.48,428 1.694,430 -1,431 -1.271,433 -2,434 -0.939,435 0.5,436 -0.933,437 1.555,438 -0.014,439 -1,440 -1.5,442 -2.347,443 -0.973,444 0.426,445 -1,446 1.424,447 -0.026,448 -1,449 -1.5,451 -2.872,452 -1,453 0.243,454 -1,455 1.193,456 -0.243,457 -1.177,458 -1.612,460 -3,461 -1.056,462 9.9,463 0.521,464 0.438,465 0.023,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 12.922,473 0.68,474 18.9,475 0.61,476 15.578,477 0.82,478 5.198,479 0.274,480 3.95,481 0.208,482 0.202,484 0.253,487 0.734,488 0.979,489 0.485,490 0.709,491 0.732,492 0.768,493 0.479,494 1.009,495 0.607,496 0.815,497 0.416,498 0.928,499 0.537,500 1.178,501 0.915,502 1.21,503 0.617,504 1.201,505 0.643,506 0.884,507 0.735,508 0.852,509 0.603,510 0.967,511 0.626,512 1.028,513 1.089,514 1.053,515 0.521,516 0.984,517 1.34,518 1.088,519 1.039,520 1.085,521 1.305,522 1.112,523 1.174,524 0.849,525 0.458,526 0.687,527 1.253,528 0.873,529 0.699,530 1.093,531 1.598,532 1.324,533 0.648,534 1.157,535 4,536 0.07,537 1.556,538 0.688,539 0.853,540 0.299,541 0.322,542 0.198,543 0.086,544 0.106,545 3416,546 12452,547 1.995,548 38.7,549 2,550 7,552 2,553 1,558 1.595,559 1.869,560 3.225,561 -0.301,563 1,565 1,567 49.957,568 1.612,569 3.34,570 4.107,571 4.543,572 4.632,573 4.632,574 2.76,575 3.722,576 4.217,577 3.377,578 577.463,579 7.147,580 5903.21,581 1,582 1,583 1,584 1,585 153.58,586 1.384,587 4.178,588 0.2,589 0.008,590 0.06,591 0.029,592 0.045,593 0.015,594 0.02,595 0.018,596 0.01,597 0.012,598 0.416,599 0.67,600 1,601 1.315,602 84.437,603 -0.074,604 0.006,605 -0.005,606 0.043,607 -0.102,608 0.035,609 0.179,610 -0.012,611 0.005,612 -0.008,613 0.216,614 -0.075,615 0.143,616 -0.233,617 0.007,618 -0.277,619 0.051,620 -0.252,621 -0.012,622 0.085,623 0.024,624 0.081,625 -0.013,626 0.07,627 0.054,628 -0.096,629 -0.026,630 -0.037,631 0.121,632 0.052,633 -0.209,634 -0.107,635 -0.122,636 -0.135,637 -0.153,638 -0.16,639 -0.143,640 0.14,641 0.062,642 0.181,643 -0.174,644 0.127,645 0.016,646 -0.177,647 -0.143,648 -0.184,649 -0.009,650 -0.078,651 2.639,652 3.69,653 0.632,654 16.26,655 1.009,656 1.105,657 2.568,658 6.596,659 0.737,660 3.045,661 3.296,662 3.434,663 3.555,664 3.761,665 3.611,666 3.714,667 3.807,668 3.714,669 3.611,670 5.66,671 0.698,672 318.18,673 3.045,674 4.533,675 5.323,676 6.146,677 6.956,678 7.78,679 8.597,680 9.422,681 10.242,682 11.068,683 3.2,693 1,699 8,700 1,704 3,706 12,724 31,726 14,727 1,728 20,729 1,730 32,731 15,733 11,734 2,735 4,736 3,737 1,739 2,740 2,751 1,753 14,754 1,756 2,761 1,763 1,765 2,768 1,769 1,772 12,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 2,818 1,821 1,822 2,830 1,832 2,835 1,840 19,845 1,846 1,861 1,862 6.5,864 1,865 1,869 10.167,870 5.46,871 4.278,872 1.684,874 2.625,875 1.43,876 0.946,877 4.612,878 8.73,879 3.367,880 3.912,881 4.382,882 4.844,883 5.39,884 5.403,885 5.784,886 6.192,887 6.386,888 6.567,889 1,890 24,891 6.954,893 2.837,894 7.952,895 13.02,897 10.139,899 2.452,900 46.583,901 0.001,904 129.482,905 100.485,906 62.74,908 67.828,911 146.439,912 197.31,913 16.786,915 2.535,916 66.334,917 112.121,918 27.652,920 105.94,921 45.954,922 129.482,923 117.27,924 67.828,926 45.954,927 129.482,928 67.828,931 20.629,932 67.324,933 29.317,934 45.954,935 129.482,936 84.614,937 146.439,940 129.482,941 16.056,942 84.429,943 45.954,944 84.614,945 129.482,946 84.614,947 146.439,949 0.57,950 0.311,951 0.144,952 0.083,953 11,954 5,955 0.125,956 4,958 1,959 3.226,960 125.393,962 12,963 76.711,968 13.66,969 6.415,970 4.126,972 84.614,973 15.307,974 4.076,978 3.165,980 42.683,981 360.535,982 28,987 10.69,989 1.58,991 -0.827,994 31.287,995 34.25,996 0.325,997 0.674,998 0.829,999 0.917,1000 0.935,1001 0.935,1002 4.543,1003 1,1004 5.273,1005 2.275,1006 3.97,1007 4.595,1008 1.801,1009 5.958,1010 3.899,1011 5.735,1012 0.206,1013 6.76,1014 2.136,1015 3.434,1016 4.182,1018 6.589,1019 3.279,1020 7.008,1021 -0.303,1022 8.341,1023 0.502,1024 5.451,1025 6.694,1026 2.297,1027 9.579,1028 5.33,1029 8.312,1030 -0.789,1031 9.972,1032 -0.751,1033 5.673,1034 7.011,1036 10.96,1037 5.458,1038 9.641,1039 -1,1040 11.635,1041 -1.852,1042 7.171,1043 9.015,1044 2.933,1045 13.433,1046 6.99,1047 10.986,1048 -1,1049 13.317,1050 -2,1051 7.751,1052 9.692,1054 15.14,1055 7.485,1056 12.345,1057 -1,1058 15.012,1059 -2.347,1060 9.007,1061 11.438,1062 3.621,1063 17.398,1064 8.762,1065 2.783,1066 -1.177,1067 16.717,1068 -2.872,1069 9.777,1070 12.326,1072 19.269,1073 9.462,1074 2.642,1075 7.993,1076 18.428,1077 -3,1078 10.909,1079 13.918,1080 4.33,1081 21.425,1082 10.603,1083 2.378,1084 7.632,1085 20.144,1086 3.753,1087 11.783,1088 14.942,1090 23.385,1091 11.423,1092 2.02,1093 6.565,1094 21.865,1095 3.476,1096 12.852,1097 16.435,1098 5.048,1099 25.491,1100 12.49,1101 1.421,1102 5.762,1103 23.588,1104 3.269,1105 13.783,1106 17.55,1108 27.498,1109 13.381,1110 1.056,1111 3.045,1112 25.315,1113 2.676,1114 14.82,1115 18.979,1116 5.769,1117 29.581,1118 14.408,1119 1,1120 2.41,1121 27.044,1122 2.025,1123 15.785,1124 20.157,1126 31.614,1127 15.341,1128 3470,1129 6738,1130 13.118,1131 22.835,1132 29.532,1133 30.038,1134 29.638,1135 29.19,1136 29.011,1137 39.921,1138 4.233,1139 76.639,1140 27.677,1141 4.927,1142 5.649,1143 5.624,1144 4.793,1145 4.783,1146 6.753,1147 2.873,1148 13.826,1149 4.729,1150 9.362,1151 1.477,1152 1.502,1153 1.482,1154 1.46,1155 1.451,1156 1.996,1157 0.212,1158 3.832,1159 1.384,1160 3.988,1161 4.016,1162 6.88,1163 3.936,1164 7.475,1165 3.928,1166 3.818,1167 3.853,1168 3.914,1169 3.735,1170 6.351,1171 3.733,1172 3.557,1173 3.553,1174 3.74,1175 3.473,1176 4.906,1177 3.451,1178 3.154,1179 3.196,1180 3.37,1181 3.011,1182 4.733,1183 3.006,1184 2.858,1185 2.925,1186 3.047,1187 2.735,1188 4.171,1189 2.715,1190 2.854,1191 2.889,1192 2.697,1193 2.657,1194 3.847,1195 2.672,1196 2.753,1197 2.836,1198 2.687,1199 2.521,1200 3.73,1201 2.538,1202 2.528,1203 2.592,1204 2.612,1205 2.372,1206 3.674,1207 2.353,1208 0.209,1209 0.182,1210 0.291,1211 0.188,1212 0.139,1213 4.18,1214 0.188,1215 3.649,1216 0.072,1217 5.822,1218 0.4,1219 3.757,1220 0.136,1221 2.783,1222 3.753,1223 1.437,1224 7.993,1225 2.729,1226 1.969,1227 1.945,1228 2.075,1229 2.046,1230 1.234,1231 2.058,1232 1.803,1233 1.77,1234 1.916,1235 1.911,1236 0.988,1237 1.917,1238 1.472,1239 1.467,1240 1.533,1241 1.628,1242 0.676,1243 1.604,1244 1.124,1245 1.081,1246 1.328,1247 1.327,1248 0.442,1249 1.335,1250 0.886,1251 0.821,1252 1.181,1253 1.062,1254 0.218,1255 1.107,1256 0.785,1257 0.751,1258 1.039,1259 1.04,1260 0.068,1261 1.04,1262 0.697,1263 0.623,1264 0.952,1265 0.977,1267 0.99,1268 0.496,1269 0.437,1270 0.856,1271 0.753,1273 0.8,1274 3.714,1276 4.977,1278 6.425,1280 7.946,1282 9.502,1283 3.005,1289 8.771,1290 0.817,1300 21.637,1301 49.957,1302 103.541,1303 127.315,1304 140.825,1305 143.58,1306 143.58,1307 29.572,1308 6.105,1309 50.19,1310 50.19,1311 12,1312 11.645,1313 3.907,1314 3.17,1315 33.942,1316 66,1317 51,1318 0.262,1319 143.15,1320 248.28,1321 341.047,1322 3036,1323 3.2,1324 13.665,1325 0.719,1326 0.614,1327 14.665,1328 11.67,1329 9.148,1330 0.457,1331 0.326,1332 5.735,1333 8.402,1334 5.542,1335 4.62,1336 9.725,1337 6.526,1338 8.083,1339 0.311,1340 0.19,1341 8.825,1342 4.931,1343 6.201,1344 0.207,1345 0.106,1346 7.103,1347 3.177,1348 4.395,1349 0.129,1350 0.057,1351 4.728,1352 1.943,1353 3.679,1354 0.088,1355 0.031,1356 3.914,1357 1.301,1358 0.417,1359 64.913,1360 0.276,1361 19.493,1362 0.698,1363 92,1364 294.185,1365 163.687,1366 325.981,1367 419.08,1368 300,1369 102,1370 264.513,1371 144.494,1372 285.411,1373 406.34,1374 266,1375 8.301} {0 CHEMBL53700,1 1.457,2 12.926,3 3.304,4 10.919,5 104.582,6 6.571,7 0.393,8 4.1,9 4.222,10 3.537,11 3.557,12 5.141,13 3.524,14 4.663,15 4.856,16 3.779,17 3.919,18 5.68,19 3.841,20 4.9,21 5.14,22 3.714,23 4.035,24 5.733,25 3.897,26 5.002,27 5.278,28 3.66,29 4.026,30 5.77,31 3.869,32 4.941,33 5.209,34 3.653,35 4.009,36 5.712,37 3.853,38 4.963,39 5.241,40 3.655,41 3.99,42 5.757,43 3.836,44 4.862,45 5.121,46 3.632,47 3.981,48 5.66,49 3.831,50 4.92,51 5.194,52 3.627,53 3.98,54 5.716,55 3.832,56 0.028,57 0.763,58 13.468,59 5.495,60 10.427,61 7.543,62 0.367,63 1.174,64 24.757,65 8.695,66 48.23,67 12.304,68 0.281,69 1.361,70 31.198,71 11.175,72 42.138,73 16.093,74 0.492,75 1.402,76 35.193,77 11.502,78 52.356,79 17.02,80 0.321,81 1.367,82 32.661,83 11.223,84 43.667,85 16.566,86 0.577,87 1.366,88 33.963,89 10.809,90 54.071,91 16.259,92 0.285,93 1.319,94 30.015,95 10.457,96 39.997,97 15.495,98 0.419,99 1.349,100 32.293,101 10.348,102 49.904,103 15.626,104 20,105 34,106 0.242,107 0.569,108 0.787,109 0.853,110 0.881,111 0.881,112 3.338,113 1.024,114 -3.71,115 -3.68,116 -3.5,118 36.8,120 6,121 1,123 1,124 3,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 10,169 1,171 1,172 6,175 1,177 1,180 9,181 1,186 7,191 1,194 6,195 1,197 1,198 7,203 1,206 4,207 1,210 4,215 1,218 5,219 1,221 2,222 5,227 1,229 6,230 1,234 6,239 1,242 5,243 1,247 8,252 1,255 5,259 4,260 2,267 5,270 1551,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.853,277 18.665,278 11.606,279 18.883,280 13.81,281 13.81,282 13.81,283 13.81,284 13.81,285 11.511,286 17.735,287 5.528,288 14.461,289 4.376,290 2.41,291 1.101,292 0.706,293 0.54,294 0.54,295 4.008,299 1,300 1,301 710,302 4.301,305 96.389,306 111.828,313 1.934,314 23.246,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 59,326 349,327 4.035,328 3.596,329 5.584,330 3.643,331 2.687,332 3.635,333 2.341,334 7.703,335 2.587,336 3.956,337 2.949,338 5.479,339 3.604,340 2.641,341 3.49,342 1.151,343 7.335,344 2.537,345 3.55,346 2.799,347 5.113,348 3.245,349 2.28,350 2.767,351 0.86,352 6.29,353 2.224,354 3.496,355 2.654,356 5.042,357 3.214,358 2.233,359 2.71,361 6.115,362 2.133,363 3.381,364 2.325,365 4.659,366 3.122,367 2.169,368 2.434,370 5.183,371 2.051,372 2.734,373 1.842,374 3.747,375 2.68,376 1.685,377 1.738,379 3.441,380 1.672,381 2.577,382 1.685,383 3.502,384 2.142,385 1.254,386 1.599,388 2.71,389 1.121,390 2.5,391 1.302,392 3.414,393 2.131,394 1.175,395 1.5,397 2.501,398 1.104,399 2.277,400 1.186,401 3.375,402 2,403 1,404 1.262,406 2.275,407 1,408 2.118,409 1.074,410 3.089,411 1.857,412 0.916,413 0.982,415 1.939,416 0.852,417 2.02,418 1,419 3,420 1.554,421 0.618,422 0.927,424 1.372,425 0.577,426 1.677,427 0.677,428 2.796,429 1.424,430 0.547,431 0.599,433 0.904,434 0.473,435 1.338,436 0.618,437 2.563,438 1.238,439 0.254,440 0.265,442 0.528,443 0.249,444 1.081,445 0.434,446 2.49,447 0.861,448 -0.059,449 -0.065,451 -0.126,452 -0.054,453 0.759,454 0.244,455 2.026,456 0.574,457 -0.402,458 -0.433,460 -0.952,461 -0.386,462 12.633,463 0.468,464 0.417,465 0.015,466 28.75,467 1.065,468 12,469 0.444,470 16.75,471 0.62,472 25.164,473 0.932,474 31.767,475 0.557,476 19.577,477 0.725,478 5.602,479 0.207,480 7.567,481 0.28,482 0.092,484 0.19,487 0.845,488 1.528,489 0.922,490 1.353,491 0.711,492 1.179,493 1.027,494 1.091,495 1.082,496 1.09,497 0.544,498 1.089,499 0.887,500 1.162,501 1.061,502 1.193,503 0.842,504 1.165,505 0.957,506 0.883,507 0.981,508 0.922,509 0.753,510 0.952,511 0.811,512 1.063,513 0.96,514 1.066,515 0.727,516 1.044,517 0.861,518 0.855,519 0.95,520 0.87,521 0.741,522 0.914,523 0.769,524 1.108,525 0.993,526 1.087,527 0.765,528 1.079,529 0.956,530 0.918,531 0.99,532 0.886,533 0.82,534 0.931,535 4.5,536 0.155,537 1.556,538 0.847,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 9583,546 26470,547 1.996,548 52.6,549 10,550 13,551 1,552 2,553 1,554 2,556 1,558 1.701,559 1.906,560 3.643,561 -0.346,562 1,563 1,567 83.029,568 1.457,569 3.423,570 4.732,571 5.126,572 5.293,573 5.293,574 3.102,575 4.31,576 4.72,577 3.843,578 1348.84,579 8.198,580 19307.4,582 1,584 1,585 332.475,586 1.16,587 4.704,588 0.161,589 0.006,590 0.046,591 0.028,592 0.021,593 0.017,594 0.009,595 0.006,596 0.008,597 0.004,598 0.305,599 0.33,600 0.88,601 1.863,602 138.716,603 -0.027,604 -0.225,605 0.041,606 -0.114,607 -0.006,608 -0.039,609 -0.011,610 0.054,611 -0.088,612 -0.012,613 0.159,614 -0.056,615 -0.062,616 -0.143,617 -0.109,618 -0.149,619 -0.055,620 -0.139,621 -0.048,622 0.058,623 -0.012,624 0.04,625 -0.044,626 0.023,627 -0.03,628 -0.095,629 -0.013,630 -0.067,631 -0.035,632 -0.042,633 0.034,634 0.1,635 0.02,636 0.08,637 -0.015,638 0.053,639 -0.045,640 -0.096,641 -0.053,642 -0.069,643 -0.059,644 -0.064,645 -0.103,646 0.063,647 -0.025,648 0.075,649 -0.091,650 0.045,651 2.375,652 3.557,653 0.407,654 31.753,655 0.998,656 1.134,657 2.48,658 6.148,659 0.623,660 3.367,661 3.555,662 3.664,663 3.784,664 3.829,665 3.829,666 3.829,667 3.807,668 3.892,669 3.932,670 7.748,671 0.584,672 374.53,673 3.367,674 4.828,675 5.595,676 6.392,677 7.174,678 7.976,679 8.766,680 9.571,681 10.365,682 11.172,683 3.5,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 57,726 12,727 1,728 28,730 58,731 21,733 9,734 2,735 4,739 2,740 2,751 6,753 10,754 11,755 1,756 1,761 1,765 1,769 1,772 30,773 5,774 1,775 6,778 1,779 2,784 1,785 4,801 1,802 1,818 1,830 1,831 1,832 2,836 1,840 27,845 1,846 9,848 2,850 1,862 7,864 1,865 1,866 1,867 1,869 14.167,870 10.017,871 6.333,872 3.5,874 1.495,875 1.23,876 0.896,877 9.954,878 7.992,879 3.57,880 3.984,881 4.339,882 4.74,883 4.945,884 4.89,885 4.909,886 4.86,887 5.049,888 5.279,889 0.889,890 30,891 9.979,893 3.953,894 7.753,895 19.335,897 15.078,899 2.253,900 60.833,902 1,903 1,904 341.362,905 111.338,906 18.685,908 89.828,911 111.338,912 431.19,913 18.685,914 10.883,915 26.498,916 46.952,917 128.684,918 30.375,919 11.771,920 306.049,922 341.362,923 130.023,924 89.828,927 329.591,928 90.599,929 11,931 46.063,932 67.174,933 16.786,935 341.362,936 108.513,937 111.338,940 341.362,941 35.837,942 77.401,944 106.614,945 341.362,946 108.513,947 111.338,949 0.546,950 0.29,951 0.145,952 0.071,953 11,954 5,955 0.241,956 14,958 1,959 4.127,960 192.978,962 11,963 124.382,968 21.456,969 12.526,970 9.071,972 106.614,973 13.531,974 4.111,978 1.977,979 2.089,980 42.683,981 561.213,982 34.5,987 10.557,991 -0.708,994 56.883,995 64.647,996 0.25,997 0.587,998 0.811,999 0.879,1000 0.907,1001 0.907,1002 4.734,1003 1.175,1004 5.493,1005 2.71,1006 4.234,1007 4.668,1008 2.617,1009 6.107,1010 4.149,1011 5.841,1012 1,1013 6.925,1014 2.501,1015 3.434,1016 4.086,1017 2.243,1018 6.581,1019 3.33,1020 7.063,1021 0.916,1022 8.446,1023 2.275,1024 5.638,1025 6.608,1026 3.744,1027 9.566,1028 5.48,1029 8.315,1030 0.618,1031 10.02,1032 1.939,1033 5.673,1034 6.89,1035 4.112,1036 10.874,1037 5.477,1038 9.599,1039 0.547,1040 11.629,1041 1.372,1042 7.258,1043 8.821,1044 5.231,1045 13.29,1046 7.027,1047 10.903,1048 0.254,1049 13.261,1050 0.904,1051 7.702,1052 9.512,1053 5.889,1054 14.953,1055 7.423,1056 12.221,1057 -0.059,1058 14.909,1059 0.528,1060 8.995,1061 11.174,1062 6.856,1063 17.147,1064 8.691,1065 2.687,1066 -0.402,1067 16.567,1068 -0.126,1069 9.664,1070 12.088,1071 7.625,1072 18.983,1073 9.306,1074 2.641,1075 7.703,1076 18.233,1077 -0.952,1078 10.807,1079 13.606,1080 8.527,1081 21.081,1082 10.427,1083 2.28,1084 7.335,1085 19.906,1086 3.635,1087 11.605,1088 14.651,1089 9.342,1090 23.005,1091 11.171,1092 2.233,1093 6.29,1094 21.583,1095 3.49,1096 12.668,1097 16.084,1098 10.216,1099 25.06,1100 12.21,1101 2.169,1102 6.115,1103 23.264,1104 2.767,1105 13.541,1106 17.21,1107 11.051,1108 27.03,1109 13.031,1110 1.685,1111 5.183,1112 24.948,1113 2.71,1114 14.562,1115 18.592,1116 11.912,1117 29.067,1118 14.026,1119 1.254,1120 3.441,1121 26.634,1122 2.434,1123 15.479,1124 19.769,1125 12.755,1126 31.062,1127 14.894,1128 9649,1129 16124,1130 18.663,1131 35.489,1132 39.281,1133 39.821,1134 39.709,1135 38.914,1136 38.921,1137 47.816,1138 8.703,1139 96.591,1140 37.158,1141 4.996,1142 5.596,1143 5.412,1144 4.712,1145 4.687,1146 6.635,1147 3.925,1148 13.229,1149 4.587,1150 12.687,1151 1.403,1152 1.422,1153 1.418,1154 1.39,1155 1.39,1156 1.708,1157 0.311,1158 3.45,1159 1.327,1160 3.974,1161 4.031,1162 3.899,1163 3.858,1164 7.474,1165 3.858,1166 3.905,1167 3.936,1168 3.843,1169 3.763,1170 6.351,1171 3.775,1172 3.774,1173 3.831,1174 3.639,1175 3.624,1176 4.957,1177 3.622,1178 3.628,1179 3.675,1180 3.51,1181 3.463,1182 4.875,1183 3.464,1184 3.431,1185 3.47,1186 3.3,1187 3.214,1188 4.573,1189 3.223,1190 3.303,1191 3.354,1192 3.157,1193 3.072,1194 4.301,1195 3.085,1196 3.127,1197 3.191,1198 2.927,1199 2.854,1200 4.138,1201 2.857,1202 3.019,1203 3.092,1204 2.812,1205 2.786,1206 3.899,1207 2.779,1208 0.144,1209 0.128,1210 0.199,1211 0.13,1212 0.096,1213 4.035,1214 0.13,1215 3.596,1216 0.084,1217 5.584,1218 0.275,1219 3.643,1220 0.092,1221 2.687,1222 3.635,1223 2.341,1224 7.703,1225 2.587,1226 1.902,1227 1.88,1228 2.059,1229 2.019,1230 1.436,1231 2.03,1232 1.828,1233 1.774,1234 2.011,1235 1.976,1236 1.267,1237 1.991,1238 1.692,1239 1.637,1240 1.916,1241 1.884,1242 1.133,1243 1.896,1244 1.468,1245 1.408,1246 1.702,1247 1.699,1248 0.975,1249 1.699,1250 1.343,1251 1.293,1252 1.596,1253 1.607,1254 0.718,1255 1.599,1256 1.281,1257 1.219,1258 1.549,1259 1.527,1260 0.639,1261 1.529,1262 1.216,1263 1.15,1264 1.453,1265 1.502,1266 0.565,1267 1.5,1268 1.081,1269 1.009,1270 1.403,1271 1.376,1272 0.504,1273 1.383,1274 4.043,1276 5.263,1277 2.398,1278 6.64,1279 4.443,1280 8.091,1281 6.26,1282 9.585,1284 1.661,1289 8.69,1290 7.376,1292 11.135,1294 0.414,1300 33.277,1301 83.029,1302 195.106,1303 269.746,1304 292.21,1305 301.72,1306 301.72,1307 60.99,1308 6.497,1309 73.58,1310 73.58,1311 11,1312 11.767,1313 3.7,1314 2.907,1315 58.393,1316 117,1317 131,1318 0.22,1319 209.432,1320 366.66,1321 502.774,1322 5263,1324 19.322,1325 0.716,1326 0.594,1327 19.322,1328 16.049,1329 13.169,1330 0.47,1331 0.341,1332 9.398,1333 12.555,1334 9.173,1335 7.681,1336 13.169,1337 9.553,1338 10.864,1339 0.32,1340 0.201,1341 10.864,1342 6.835,1343 8.054,1344 0.212,1345 0.12,1346 8.054,1347 4.563,1348 6.06,1349 0.141,1350 0.071,1351 6.06,1352 3.048,1353 4.17,1354 0.093,1355 0.043,1356 4.17,1357 1.932,1358 0.358,1359 83.397,1360 0.231,1361 26.905,1362 0.571,1363 124,1364 390.647,1365 137.71,1366 363.797,1367 472.96,1368 340,1369 134,1370 316.778,1371 146.829,1372 321.592,1373 452.7,1374 297,1375 5.845} {0 CHEMBL53703,1 1.438,2 14.31,3 3.46,4 11.969,5 115.216,6 6.567,7 0.367,8 4.162,9 4.284,10 3.607,11 3.624,12 5.189,13 3.59,14 4.723,15 4.916,16 3.836,17 3.959,18 5.693,19 3.888,20 4.916,21 5.146,22 3.791,23 4.062,24 5.775,25 3.941,26 4.994,27 5.248,28 3.748,29 4.059,30 5.854,31 3.924,32 4.948,33 5.198,34 3.714,35 4.055,36 5.795,37 3.909,38 4.982,39 5.261,40 3.704,41 4.045,42 5.764,43 3.887,44 4.892,45 5.155,46 3.68,47 4.031,48 5.66,49 3.878,50 4.946,51 5.218,52 3.681,53 4.028,54 5.735,55 3.882,56 0.019,57 0.81,58 14.304,59 5.898,60 9.373,61 8.07,62 0.414,63 1.227,64 26.48,65 9.099,66 38.954,67 12.772,68 0.316,69 1.393,70 31.849,71 11.325,72 37.747,73 16.067,74 0.497,75 1.436,76 34.963,77 11.575,78 54.031,79 16.727,80 0.327,81 1.417,82 32.848,83 11.619,84 48.443,85 16.769,86 0.516,87 1.44,88 34.257,89 11.539,90 47.402,91 17.201,92 0.251,93 1.385,94 30.686,95 11.14,96 32.56,97 16.399,98 0.407,99 1.413,100 33.046,101 10.949,102 44.516,103 16.307,104 22,105 36,106 0.235,107 0.564,108 0.822,109 0.874,110 0.879,111 0.879,112 3.407,113 1.018,114 -4.06,115 -4.01,116 -3.8,118 37.7,119 1,120 4,121 1,123 1,124 4,133 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 10,171 2,172 8,180 9,186 8,194 6,197 1,198 9,206 5,210 5,218 6,221 2,222 6,229 7,234 7,242 6,247 9,255 6,259 4,267 6,270 1918,271 19.982,272 19.982,273 19.982,274 19.982,275 19.982,276 18.223,277 24.039,278 12.675,279 20.649,280 14.758,281 14.758,282 14.758,283 14.758,284 14.758,285 12.129,286 24.047,287 5.943,288 15.596,289 4.492,290 2.481,291 0.902,292 0.582,293 0.549,294 0.549,295 4.078,299 1,300 1,301 844,302 4.528,305 105.337,306 122.505,313 2.205,314 23.045,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 63,326 415,327 4.035,328 3.681,329 5.584,330 3.643,331 2.687,332 3.635,333 2.443,334 7.703,335 2.587,336 3.957,337 2.951,338 5.479,339 3.604,340 2.641,341 3.49,342 1.151,343 7.335,344 2.537,345 3.656,346 2.813,347 5.113,348 3.351,349 2.373,350 2.827,351 0.86,352 6.29,353 2.298,354 3.502,355 2.655,356 5.042,357 3.218,358 2.277,359 2.768,360 0.286,361 6.115,362 2.134,363 3.428,364 2.38,365 5.029,366 3.122,367 2.17,368 2.521,370 6.066,371 2.051,372 3.061,373 2.073,374 3.784,375 2.705,376 1.717,377 2.091,379 3.506,380 1.692,381 2.58,382 1.821,383 3.505,384 2.194,385 1.269,386 1.605,388 2.714,389 1.172,390 2.5,391 1.758,392 3.421,393 2.142,394 1.232,395 1.5,397 2.579,398 1.111,399 2.348,400 1.399,401 3.414,402 2,403 1.058,404 1.325,406 2.275,407 1,408 2.187,409 1.202,410 3.224,411 1.972,412 1,413 1.152,415 2.121,416 0.955,417 2.118,418 1.098,419 3,420 1.813,421 0.853,422 0.962,424 1.53,425 0.809,426 2.062,427 1,428 2.918,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.682,436 0.859,437 2.782,438 1.423,439 0.545,440 0.6,442 0.894,443 0.472,444 1.339,445 0.618,446 2.531,447 1.232,448 0.244,449 0.256,451 0.49,452 0.239,453 1.083,454 0.412,455 2.449,456 0.861,457 -0.059,458 -0.065,460 -0.126,461 -0.054,462 13.633,463 0.47,464 0.379,465 0.013,466 31,467 1.069,468 13,469 0.448,470 18,471 0.621,472 26.829,473 0.925,474 33.767,475 0.554,476 22.311,477 0.769,478 6.326,479 0.218,480 7.881,481 0.272,482 0.098,484 0.176,487 0.813,488 1.551,489 0.907,490 1.385,491 0.629,492 1.192,493 1.218,494 1.045,495 1.093,496 1.035,497 0.78,498 1.039,499 1.082,500 1.12,501 1.075,502 1.137,503 0.996,504 1.113,505 1.178,506 0.924,507 1.068,508 0.958,509 1.225,510 0.991,511 0.955,512 1.111,513 1.046,514 1.114,515 1.156,516 1.102,517 0.723,518 0.879,519 0.901,520 0.894,521 0.583,522 0.917,523 0.658,524 1.089,525 0.928,526 1.066,527 0.613,528 1.044,529 0.97,530 0.913,531 0.98,532 0.881,533 0.871,534 0.921,535 4.5,536 0.155,537 1.778,538 0.972,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 11897,546 31109,547 1.996,548 52.5,549 6,550 17,551 1,552 2,554 2,555 3,556 1,558 1.719,559 1.912,560 3.779,561 -0.785,563 1,567 87.733,568 1.438,569 3.45,570 5.029,571 5.349,572 5.381,573 5.381,574 3.28,575 4.306,576 4.824,577 3.969,578 1611.52,579 8.402,580 24625.4,582 1,585 361.775,586 1.113,587 4.811,588 0.15,589 0.006,590 0.049,591 0.029,592 0.019,593 0.016,594 0.008,595 0.006,596 0.007,597 0.004,598 0.294,599 0.33,600 0.88,601 2.112,602 153.271,603 0.009,604 -0.27,605 0.059,606 -0.167,607 0.02,608 -0.064,609 -0.034,610 0.069,611 -0.074,612 0.011,613 0.04,614 -0.03,615 -0.094,616 -0.104,617 -0.095,618 -0.105,619 -0.081,620 -0.101,621 -0.097,622 0.046,623 -0.072,624 0.016,625 -0.107,626 -0.019,627 -0.07,628 -0.124,629 -0.082,630 -0.101,631 -0.083,632 -0.096,633 0.082,634 0.085,635 0.058,636 0.072,637 0.07,638 0.064,639 -0.005,640 -0.084,641 0.005,642 -0.046,643 -0.009,644 -0.023,645 -0.099,646 0.069,647 -0.01,648 0.086,649 -0.093,650 0.058,651 1.786,652 4.354,653 0.379,654 36.704,655 0.996,656 1.132,657 2.833,658 8.028,659 0.627,660 3.434,661 3.611,662 3.738,663 3.85,664 3.871,665 3.871,666 3.871,667 3.85,668 3.932,669 3.989,670 8.366,671 0.587,672 400.57,673 3.434,674 4.89,675 5.659,676 6.454,677 7.236,678 8.036,679 8.825,680 9.628,681 10.421,682 11.225,683 3.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 61,726 13,727 1,728 30,730 62,731 23,733 9,734 2,735 4,739 2,740 2,745 1,751 4,753 12,754 11,755 1,756 2,761 1,763 2,765 1,769 1,772 32,773 5,775 6,778 1,779 2,784 1,785 4,801 1,802 1,819 1,822 2,831 1,832 2,836 2,840 29,846 8,848 3,850 1,862 6.6,865 1,866 1,867 2,869 15.167,870 11.15,871 6.917,872 3.769,874 1.688,875 1.255,876 0.906,877 11.165,878 8.297,879 3.651,880 4.056,881 4.426,882 4.816,883 5.007,884 4.997,885 5.05,886 5.071,887 5.307,888 5.516,889 0.9,890 33,891 10.716,893 4.182,894 7.667,895 20.766,897 15.844,899 2.167,900 62.833,902 1,903 1,904 376.675,905 144.92,906 18.685,908 58.145,911 144.92,912 434.82,913 18.685,914 19.708,915 26.021,916 65.905,917 92.282,918 41.375,919 11.771,920 341.362,922 376.675,923 163.605,924 58.145,927 329.591,928 94.229,929 11,931 54.411,932 73.456,933 35.738,935 376.675,936 76.829,937 144.92,940 376.675,941 41.641,942 105.178,944 74.93,945 376.675,946 76.829,947 144.92,949 0.54,950 0.298,951 0.151,952 0.07,953 11,954 5,955 0.242,956 15,958 1,959 4.33,960 211.245,962 11,963 136.881,968 23.178,969 13.97,970 9.774,972 74.93,973 13.529,974 4.12,978 1.974,979 2.079,981 598.425,982 37.5,987 11.354,989 4.326,991 -0.12,994 60.767,995 69.062,996 0.243,997 0.582,998 0.848,999 0.902,1000 0.907,1001 0.907,1002 4.81,1003 1.232,1004 5.549,1005 2.714,1006 4.29,1007 4.741,1008 2.719,1009 6.163,1010 4.194,1011 5.917,1012 1.058,1013 6.98,1014 2.579,1015 3.434,1016 4.086,1017 2.243,1018 6.629,1019 3.33,1020 7.136,1021 1,1022 8.502,1023 2.275,1024 5.694,1025 6.676,1026 3.935,1027 9.63,1028 5.515,1029 8.388,1030 0.853,1031 10.079,1032 2.121,1033 5.707,1034 6.91,1035 4.269,1036 10.934,1037 5.503,1038 9.671,1039 0.618,1040 11.69,1041 1.53,1042 7.314,1043 8.873,1044 5.509,1045 13.35,1046 7.061,1047 10.973,1048 0.545,1049 13.324,1050 1.372,1051 7.751,1052 9.536,1053 6.158,1054 15.008,1055 7.459,1056 12.29,1057 0.244,1058 14.974,1059 0.894,1060 9.052,1061 11.21,1062 7.213,1063 17.198,1064 8.726,1065 2.687,1066 -0.059,1067 16.633,1068 0.49,1069 9.719,1070 12.108,1071 7.992,1072 19.027,1073 9.346,1074 2.641,1075 7.703,1076 18.3,1077 -0.126,1078 10.863,1079 13.63,1080 8.964,1081 21.12,1082 10.463,1083 2.373,1084 7.335,1085 19.972,1086 3.635,1087 11.659,1088 14.667,1089 9.802,1090 23.037,1091 11.21,1092 2.277,1093 6.29,1094 21.648,1095 3.49,1096 12.722,1097 16.101,1098 10.734,1099 25.088,1100 12.246,1101 2.17,1102 6.115,1103 23.327,1104 2.827,1105 13.591,1106 17.222,1107 11.599,1108 27.053,1109 13.069,1110 1.717,1111 6.066,1112 25.01,1113 2.768,1114 14.611,1115 18.603,1116 12.512,1117 29.086,1118 14.061,1119 1.269,1120 3.506,1121 26.694,1122 2.521,1123 15.524,1124 19.777,1125 13.391,1126 31.078,1127 14.928,1128 11970,1129 19446,1130 20.049,1131 38.25,1132 41.909,1133 42.764,1134 42.548,1135 41.344,1136 41.367,1137 51.32,1138 9.479,1139 101.981,1140 39.268,1141 4.957,1142 5.681,1143 5.415,1144 4.712,1145 4.687,1146 6.635,1147 4.174,1148 13.229,1149 4.587,1150 13.308,1151 1.397,1152 1.425,1153 1.418,1154 1.378,1155 1.379,1156 1.711,1157 0.316,1158 3.399,1159 1.309,1160 3.974,1161 4.03,1162 3.9,1163 3.859,1164 7.432,1165 3.859,1166 3.905,1167 3.937,1168 3.843,1169 3.768,1170 4.957,1171 3.778,1172 3.778,1173 3.826,1174 3.666,1175 3.632,1176 4.876,1177 3.636,1178 3.644,1179 3.685,1180 3.536,1181 3.466,1182 4.579,1183 3.473,1184 3.498,1185 3.557,1186 3.35,1187 3.296,1188 4.472,1189 3.298,1190 3.358,1191 3.41,1192 3.192,1193 3.161,1194 4.386,1195 3.155,1196 3.27,1197 3.331,1198 3.098,1199 3.061,1200 4.278,1201 3.066,1202 3.097,1203 3.168,1204 2.892,1205 2.836,1206 3.895,1207 2.832,1208 0.135,1209 0.123,1210 0.186,1211 0.121,1212 0.09,1213 4.035,1214 0.121,1215 3.681,1216 0.081,1217 5.584,1218 0.257,1219 3.643,1220 0.086,1221 2.687,1222 3.635,1223 2.443,1224 7.703,1225 2.587,1226 1.902,1227 1.88,1228 2.036,1229 2.015,1230 1.352,1231 2.021,1232 1.824,1233 1.776,1234 2.004,1235 1.967,1236 1.233,1237 1.981,1238 1.688,1239 1.636,1240 1.908,1241 1.887,1242 1.132,1243 1.892,1244 1.506,1245 1.452,1246 1.8,1247 1.746,1248 0.939,1249 1.761,1250 1.418,1251 1.347,1252 1.649,1253 1.643,1254 0.818,1255 1.649,1256 1.32,1257 1.266,1258 1.594,1259 1.573,1260 0.694,1261 1.581,1262 1.281,1263 1.218,1264 1.531,1265 1.525,1266 0.618,1267 1.518,1268 1.2,1269 1.131,1270 1.453,1271 1.475,1272 0.539,1273 1.488,1274 4.111,1276 5.323,1277 2.398,1278 6.698,1279 4.443,1280 8.149,1281 6.26,1282 9.643,1284 3.492,1290 5.628,1292 16.1,1294 0.351,1300 35.804,1301 87.733,1302 210.449,1303 306.755,1304 326.265,1305 328.265,1306 328.265,1307 64.242,1308 6.609,1309 62.58,1310 62.58,1311 11,1312 11.821,1313 3.807,1314 3.087,1315 65.573,1316 136,1317 166,1318 0.212,1319 225.689,1320 398.62,1321 542.442,1322 6208,1324 20.736,1325 0.715,1326 0.602,1327 20.736,1328 17.458,1329 14.207,1330 0.474,1331 0.339,1332 10.006,1333 13.52,1334 9.725,1335 8.149,1336 14.207,1337 10.179,1338 11.364,1339 0.316,1340 0.191,1341 11.364,1342 6.893,1343 8.751,1344 0.213,1345 0.11,1346 8.751,1347 4.503,1348 6.638,1349 0.144,1350 0.064,1351 6.638,1352 2.957,1353 4.374,1354 0.093,1355 0.038,1356 4.374,1357 1.787,1358 0.347,1359 89.956,1360 0.223,1361 28.682,1362 0.542,1363 132,1364 420.232,1365 147.149,1366 387.995,1367 511.14,1368 366,1369 143,1370 346.202,1371 157.49,1372 349.192,1373 494.86,1374 324,1375 6.409} {0 CHEMBL53709,1 1.572,2 19.407,3 6.214,4 38.611,5 207.937,6 7.233,7 0.379,8 4.724,9 4.849,10 4.246,11 4.235,12 5.801,13 4.203,14 5.293,15 5.482,16 4.605,17 4.647,18 6.368,19 4.582,20 5.619,21 5.842,22 4.751,23 4.863,24 6.611,25 4.773,26 5.738,27 5.961,28 4.781,29 4.945,30 6.723,31 4.848,32 5.833,33 6.06,34 4.848,35 5.001,36 6.907,37 4.893,38 5.916,39 6.166,40 4.807,41 4.995,42 6.993,43 4.868,44 5.872,45 6.128,46 4.652,47 4.923,48 6.854,49 4.777,50 5.77,51 6.041,52 4.609,53 4.83,54 6.705,55 4.684,56 0.074,57 1.503,58 22.768,59 9.724,60 19.654,61 13.188,62 0.58,63 2.442,64 44.002,65 15.999,66 89.385,67 22.917,68 0.924,69 3.101,70 65.749,71 22.575,72 112.348,73 32.009,74 0.834,75 3.417,76 73.073,77 24.998,78 128.4,79 35.167,80 1.064,81 3.637,82 80.936,83 27.871,84 193.118,85 39.335,86 1.479,87 3.72,88 92.581,89 29.825,90 243.168,91 42.297,92 1.372,93 3.445,94 92.638,95 28.612,96 217.27,97 40.243,98 0.919,99 3.153,100 83.098,101 26.44,102 143.839,103 38.114,104 96,105 79,106 0.226,107 0.541,108 0.757,109 0.892,110 0.914,111 0.914,112 4.009,113 0.991,114 -4.04,115 -3.99,116 -3.78,118 39,120 10,123 2,124 4,126 2,140 9,141 4,142 2,143 2,150 2,154 4,163 2,167 2,168 18,171 2,172 11,173 1,175 2,177 2,178 1,180 19,181 1,185 1,186 14,189 5,190 1,191 3,194 18,195 1,197 1,198 12,199 1,203 3,206 18,207 4,209 1,210 15,211 2,213 2,215 8,216 1,218 18,219 5,221 2,222 15,223 1,225 4,226 1,227 9,229 18,230 2,233 1,234 9,237 1,239 4,242 16,243 3,244 1,247 8,248 3,250 1,252 5,253 2,255 14,256 4,258 6,259 10,262 3,263 2,264 6,265 1,267 10,268 2,270 8028,271 36.354,272 36.354,273 36.354,274 36.354,275 36.354,276 33.059,277 36.363,278 21.977,279 36.962,280 28.593,281 28.593,282 28.593,283 28.593,284 28.593,285 23.518,286 35.85,287 10.372,288 29.555,289 5.143,290 2.951,291 1.451,292 0.51,293 0.357,294 0.357,295 4.707,297 1,301 2245,302 5.916,305 154.137,306 557.469,307 202.213,309 286.72,311 339.418,313 3.051,314 70.997,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 117.333,326 1048,327 4.791,328 3.907,329 7.117,330 4.349,331 3.378,332 4.755,333 2.378,334 12.358,335 3.281,336 4.403,337 3.738,338 6.759,339 4.144,340 3.178,341 3.909,342 2.375,343 11.02,344 3.069,345 4.036,346 3.715,347 6.091,348 3.756,349 2.784,350 3.639,351 1.983,352 8.77,353 2.705,354 3.962,355 3.578,356 6.084,357 3.732,358 2.765,359 3.188,360 1.94,361 8.706,362 2.663,363 3.938,364 3.454,365 6.016,366 3.602,367 2.628,368 3.098,369 0.656,370 8.533,371 2.562,372 3.796,373 3.01,374 5.845,375 3.506,376 2.506,377 3.095,378 0.555,379 7.868,380 2.497,381 3.633,382 2.899,383 5.609,384 3.247,385 2.26,386 2.994,387 0.434,388 6.945,389 2.211,390 3.533,391 2.494,392 5.285,393 3.14,394 2.225,395 2.839,396 0.4,397 6.422,398 2.093,399 3.482,400 2.492,401 5.077,402 3.103,403 2.144,404 2.684,406 6.049,407 1.949,408 3.174,409 2.371,410 4.789,411 2.88,412 1.894,413 2.457,415 4.858,416 1.849,417 3.128,418 2.334,419 4.569,420 2.816,421 1.825,422 2.219,424 4.8,425 1.801,426 2.923,427 2.158,428 4.299,429 2.672,430 1.735,431 2.089,433 4.234,434 1.596,435 2.914,436 1.841,437 4.15,438 2.604,439 1.61,440 1.92,442 3.444,443 1.579,444 2.744,445 1.841,446 3.892,447 2.513,448 1.537,449 1.789,451 3.343,452 1.494,453 2.707,454 1.724,455 3.847,456 2.472,457 1.476,458 1.712,460 3.241,461 1.468,462 25.614,463 0.474,464 1.261,465 0.023,466 61,467 1.13,468 26.5,469 0.491,470 34.5,471 0.639,472 67.47,473 1.249,474 60.786,475 0.579,476 59.36,477 1.099,478 11.762,479 0.218,480 14.321,481 0.265,482 0.145,484 0.32,487 0.757,488 1.437,489 0.771,490 1.134,491 0.629,492 1.036,493 0.621,494 1.191,495 0.825,496 1.017,497 0.437,498 1.007,499 0.819,500 0.985,501 0.903,502 0.942,503 0.82,504 0.951,505 1.055,506 1.051,507 0.964,508 1.015,509 1.04,510 1.034,511 0.923,512 1.115,513 0.909,514 1.083,515 0.956,516 1.079,517 1.003,518 0.965,519 0.964,520 0.99,521 1.058,522 1.011,523 1.237,524 0.921,525 1.146,526 0.976,527 1.289,528 1.021,529 0.86,530 0.964,531 0.954,532 1.003,533 0.836,534 0.967,535 9,536 0.452,537 6,538 4.736,539 3.502,540 2.105,541 1.193,542 0.902,543 0.659,544 0.535,545 66604,546 181236,547 2.024,548 48.6,549 12,550 25,552 2,553 4,554 2,555 6,558 1.867,559 1.884,560 4.139,561 1.259,567 165.023,568 1.572,569 3.763,570 5.263,571 6.205,572 6.357,573 6.357,574 3.534,575 5.459,576 5.735,577 4.473,578 6400.24,579 10.203,580 151142,585 704.996,586 1.447,587 5.678,588 0.155,589 0.007,590 0.076,591 0.053,592 0.038,593 0.023,594 0.014,595 0.013,596 0.009,597 0.008,598 0.395,599 0.17,600 0.5,601 1.052,602 339.845,603 -0.057,604 -0.159,605 0.022,606 -0.021,607 -0.032,608 0.009,609 0.111,610 -0.005,611 0.023,612 0.011,613 0.143,614 -0.001,615 0.037,616 0.087,617 0.02,618 0.065,619 -0.018,620 0.048,621 -0.123,622 0.006,623 -0.075,624 -0.02,625 -0.095,626 -0.044,627 0.017,628 -0.095,629 -0.023,630 -0.085,631 0.037,632 -0.082,633 0.032,634 -0.004,635 -0.009,636 -0.019,637 0.027,638 -0.029,639 -0.135,640 0.007,641 -0.101,642 0.001,643 -0.141,644 -0.039,645 0.013,646 -0.038,647 0.063,648 -0.016,649 0.013,650 0.037,651 2.812,652 6.484,653 0.481,654 77.667,655 1.002,656 1.131,657 2.806,658 7.876,659 0.649,660 4.078,661 4.382,662 4.654,663 4.927,664 5.17,665 5.268,666 5.357,667 5.46,668 5.493,669 5.46,670 12.089,671 0.613,672 759.43,673 4.078,674 5.617,675 6.463,676 7.34,677 8.214,678 9.103,679 9.989,680 10.885,681 11.779,682 12.68,683 5.7,685 2,690 2,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 105,726 26,727 2,728 58,730 109,731 41,733 19,734 5,735 7,739 5,740 7,741 1,748 3,751 12,753 23,754 18,756 4,761 4,765 4,772 51,773 11,774 4,775 13,776 1,779 6,784 0.6,785 6,795 1,797 1,801 1,802 3,803 1,805 1,807 1,817 2,818 2,826 2,830 2,832 3,836 2,837 1,840 54,845 2,846 14,847 2,850 2,851 2,861 1,862 5.7,864 2,865 4,869 28.667,870 18.843,871 12.167,872 6.623,874 3.94,875 1.444,876 0.94,877 15.349,878 12.821,879 4.304,880 4.838,881 5.368,882 5.936,883 6.478,884 6.776,885 7.175,886 7.564,887 7.773,888 7.95,889 1,890 90,891 20.254,893 8.704,894 7.866,895 38.436,897 31.699,899 2.366,900 127.778,904 553.242,905 188.459,906 60.955,907 39.149,908 185.946,911 188.459,912 778.337,913 60.955,914 16.793,915 40.017,916 121.308,917 237.503,918 38.381,919 4.901,920 529.7,921 39.149,922 553.242,923 249.414,924 185.946,925 39.149,927 482.615,928 256.573,931 96.032,932 136.596,933 55.934,935 553.242,936 246.901,937 227.608,940 553.242,941 68.285,942 128.322,943 36.022,944 241.881,945 553.242,946 246.901,947 227.608,949 0.571,950 0.332,951 0.185,952 0.11,953 32,954 17,955 0.183,956 20,957 2,958 1.154,959 5.931,960 575.092,961 0.154,962 26,963 310.764,968 41.22,969 20.107,970 10.853,971 2.241,972 245.002,973 20.809,974 4.342,978 5.484,979 2.196,980 121.388,981 1027.75,982 73,987 50.778,991 -2.592,994 105.221,995 118.74,996 0.234,997 0.56,998 0.784,999 0.924,1000 0.947,1001 0.947,1002 5.547,1003 2.225,1004 6.441,1005 6.945,1006 5.069,1007 5.527,1008 3.52,1009 7.261,1010 5.007,1011 6.728,1012 2.144,1013 8.005,1014 6.422,1015 4.635,1016 5.338,1017 3.275,1018 8.219,1019 4.522,1020 8.025,1021 1.894,1022 9.678,1023 6.049,1024 6.658,1025 7.661,1026 4.782,1027 11.365,1028 6.536,1029 9.359,1030 1.825,1031 11.417,1032 4.858,1033 7.083,1034 8.354,1035 5.162,1036 13.211,1037 6.916,1038 10.732,1039 1.735,1040 13.2,1041 4.8,1042 8.564,1043 10.181,1044 6.274,1045 15.889,1046 8.383,1047 12.132,1048 1.61,1049 15.013,1050 4.234,1051 9.393,1052 11.306,1053 6.904,1054 18.105,1055 9.171,1056 13.556,1057 1.537,1058 16.849,1059 3.444,1060 10.669,1061 12.949,1062 7.866,1063 20.64,1064 10.427,1065 3.378,1066 1.476,1067 18.703,1068 3.343,1069 11.689,1070 14.294,1071 8.612,1072 23.014,1073 11.411,1074 3.178,1075 12.358,1076 20.57,1077 3.241,1078 12.893,1079 15.868,1080 9.511,1081 25.51,1082 12.589,1083 2.784,1084 11.02,1085 22.448,1086 4.755,1087 14.002,1088 17.322,1089 10.314,1090 27.951,1091 13.664,1092 2.765,1093 8.77,1094 24.336,1095 3.909,1096 15.185,1097 18.875,1098 11.188,1099 30.441,1100 14.82,1101 2.628,1102 8.706,1103 26.232,1104 3.639,1105 16.336,1106 20.38,1107 12.019,1108 32.913,1109 15.939,1110 2.506,1111 8.533,1112 28.136,1113 3.188,1114 17.518,1115 21.929,1116 12.883,1117 35.404,1118 17.092,1119 2.26,1120 7.868,1121 30.045,1122 3.098,1123 18.691,1124 23.46,1125 13.729,1126 37.892,1127 18.234,1128 63176,1129 104496,1130 38.085,1131 68.131,1132 86.069,1133 88.491,1134 89.204,1135 85.614,1136 85.313,1137 106.237,1138 21.444,1139 240.936,1140 82.565,1141 5.78,1142 5.907,1143 6.98,1144 5.394,1145 5.378,1146 7.755,1147 3.993,1148 19.863,1149 5.281,1150 32.583,1151 1.484,1152 1.526,1153 1.538,1154 1.476,1155 1.471,1156 1.832,1157 0.37,1158 4.154,1159 1.424,1160 4.179,1161 4.209,1162 4.181,1163 4.101,1164 7.477,1165 4.107,1166 4.009,1167 4.045,1168 3.95,1169 3.914,1170 7.471,1171 3.916,1172 3.848,1173 3.905,1174 3.82,1175 3.722,1176 7.428,1177 3.723,1178 3.809,1179 3.849,1180 3.742,1181 3.687,1182 7.425,1183 3.689,1184 3.753,1185 3.802,1186 3.66,1187 3.602,1188 6.352,1189 3.601,1190 3.654,1191 3.724,1192 3.623,1193 3.498,1194 6.35,1195 3.498,1196 3.593,1197 3.642,1198 3.519,1199 3.421,1200 5.026,1201 3.425,1202 3.518,1203 3.57,1204 3.468,1205 3.336,1206 4.879,1207 3.332,1208 0.083,1209 0.067,1210 0.123,1211 0.075,1212 0.058,1213 4.791,1214 0.082,1215 3.907,1216 0.041,1217 7.117,1218 0.213,1219 4.349,1220 0.057,1221 3.378,1222 4.755,1223 2.378,1224 12.358,1225 3.281,1226 1.945,1227 1.926,1228 2.048,1229 2.024,1230 1.379,1231 2.029,1232 1.923,1233 1.895,1234 2.042,1235 2.016,1236 1.354,1237 2.023,1238 1.881,1239 1.846,1240 2.007,1241 2.013,1242 1.281,1243 2.014,1244 1.807,1245 1.752,1246 1.985,1247 1.992,1248 1.182,1249 1.996,1250 1.748,1251 1.697,1252 1.941,1253 1.944,1254 1.134,1255 1.939,1256 1.675,1257 1.617,1258 1.88,1259 1.861,1260 1.095,1261 1.881,1262 1.592,1263 1.533,1264 1.831,1265 1.81,1266 1.078,1267 1.821,1268 1.511,1269 1.446,1270 1.735,1271 1.722,1272 0.929,1273 1.727,1274 4.762,1276 6.071,1277 2.398,1278 7.565,1279 5.043,1280 9.152,1281 7.368,1282 10.795,1284 3.908,1285 6.413,1289 19.538,1290 7.28,1291 6.138,1294 -1.836,1295 3.078,1300 64.361,1301 165.023,1302 395.134,1303 552.634,1304 651.486,1305 667.486,1306 667.486,1307 178.491,1308 8.882,1309 157.1,1310 157.1,1311 30,1312 13.203,1313 4.755,1314 4,1315 102.673,1316 400,1317 315,1318 0.118,1319 399.182,1320 709.45,1321 965.764,1322 133934,1323 1,1324 38.614,1325 0.715,1326 0.59,1327 39.114,1328 31.855,1329 26.083,1330 0.45,1331 0.33,1332 18.576,1333 24.84,1334 18.133,1335 15.006,1336 26.371,1337 19.159,1338 22.985,1339 0.291,1340 0.182,1341 23.393,1342 14.362,1343 18.705,1344 0.18,1345 0.1,1346 18.967,1347 10.452,1348 15.478,1349 0.113,1350 0.056,1351 15.697,1352 7.65,1353 12.992,1354 0.074,1355 0.032,1356 13.263,1357 5.562,1358 0.194,1359 166.381,1360 0.162,1361 46.45,1362 0.301,1363 274,1364 802.691,1365 314.877,1366 799.35,1367 1056.12,1368 742,1369 320,1370 726.624,1371 354.711,1372 742.568,1373 1083.32,1374 699,1375 7.745} {0 CHEMBL537260,1 1.497,2 9,3 2.251,4 5.065,5 62.23,6 6.539,7 0.313,8 3.576,9 3.71,10 2.998,11 3.029,12 4.675,13 2.99,14 4.102,15 4.312,16 3.227,17 3.371,18 5.218,19 3.28,20 4.34,21 4.609,22 3.065,23 3.444,24 5.262,25 3.28,26 4.39,27 4.675,28 2.895,29 3.37,30 5.266,31 3.187,32 4.247,33 4.547,34 2.786,35 3.237,36 5.053,37 3.052,38 4.091,39 4.38,40 2.697,41 3.095,42 4.957,43 2.927,44 3.941,45 4.222,46 2.6,47 2.943,48 4.868,49 2.794,50 3.762,51 4.027,52 2.505,53 2.759,54 4.774,55 2.632,56 0.024,57 0.466,58 7.93,59 3.031,60 8.513,61 4.388,62 0.217,63 0.695,64 13.93,65 4.763,66 33.838,67 7.141,68 0.129,69 0.752,70 17.588,71 6.15,72 36.537,73 9.251,74 0.272,75 0.713,76 19.002,77 5.889,78 49.852,79 8.961,80 0.197,81 0.627,82 16.296,83 5.134,84 35.19,85 7.948,86 0.178,87 0.541,88 13.978,89 4.288,90 31.818,91 6.641,92 0.165,93 0.465,94 12.084,95 3.554,96 29.367,97 5.534,98 0.134,99 0.389,100 10.112,101 2.855,102 27.085,103 4.478,104 18,105 19,106 0.284,107 0.616,108 0.787,109 0.865,110 0.888,111 0.888,112 2.847,113 1.044,114 -2.97,115 -2.97,116 -2.86,118 35.3,120 5,124 1,132 1,134 1,143 1,149 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 2,175 1,177 1,180 5,181 2,186 3,191 2,194 4,195 1,198 3,203 1,206 3,207 1,210 3,215 1,218 2,219 1,222 3,227 1,229 1,230 1,234 3,239 1,247 2,248 1,258 1,259 1,262 1,270 274,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.667,277 9.396,278 6.731,279 10.778,280 7.891,281 7.891,282 7.891,283 7.891,284 7.891,285 6.48,286 4.675,287 3.218,288 8.183,289 3.591,290 1.842,291 0.941,292 0.529,293 0.412,294 0.412,295 3.474,299 1,300 1,301 284,302 3.536,305 53.736,313 1.5,314 15.166,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 35,326 144,327 3.989,328 3.595,329 5.736,330 3.647,331 2.644,332 3.479,333 1.437,334 7.414,335 2.637,336 3.92,337 2.646,338 5.352,339 3.458,340 2.542,341 3.288,343 6.997,344 2.328,345 2.877,346 2.228,347 3.893,348 2.779,349 1.784,350 1.893,352 3.651,353 1.772,354 2.733,355 1.711,356 3.641,357 2.393,358 1.414,359 1.726,361 3.01,362 1.376,363 2.539,364 1.347,365 3.361,366 2.119,367 1.155,368 1.466,370 2.488,371 1.103,372 2.118,373 0.899,374 3,375 1.766,376 0.783,377 0.932,379 1.641,380 0.764,381 2.045,382 0.618,383 2.912,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 1.347,391 0.454,392 2.376,393 1.144,394 0.159,395 0.18,397 0.334,398 0.156,399 0.655,400 0.184,401 1.88,402 0.438,403 -0.538,404 -0.602,406 -1.185,407 -0.523,408 0.48,409 -0.415,410 1.41,412 -1,413 -1.245,415 -2,416 -0.961,417 0.134,418 -0.93,419 1.206,420 -0.143,421 -1.11,422 -1.352,424 -2.494,425 -1.072,426 -0.118,427 -1.297,428 1,429 -0.438,430 -1.414,431 -1.716,433 -3.122,434 -1.395,435 -0.133,436 -1.442,437 1,438 -0.619,439 -1.594,440 -1.964,442 -3.658,443 -1.476,444 -0.412,445 -1.618,446 0.677,447 -0.705,448 -1.618,449 -2,451 -4.372,452 -1.568,453 -0.734,454 -1.734,455 0.385,456 -0.868,457 -1.841,458 -2.427,460 -4.747,461 -1.774,462 7.467,463 0.467,464 0.302,465 0.019,466 16.75,467 1.047,468 7,469 0.438,470 9.75,471 0.609,472 11.914,473 0.745,474 18.933,475 0.557,476 9.812,477 0.613,478 3.201,479 0.2,480 4.497,481 0.281,482 0.156,484 0.188,487 0.816,488 1.619,489 0.944,490 1.347,491 0.738,492 1.193,493 0.573,494 1.161,495 1.008,496 1.164,497 0.359,498 1.145,499 0.612,500 1.117,501 0.961,502 1.194,503 0.528,504 1.142,505 1.092,506 0.886,507 1.063,508 0.943,509 1.147,510 0.998,511 0.811,512 0.876,513 0.922,514 0.916,515 0.811,516 0.935,517 0.948,518 0.91,519 0.98,520 0.934,521 0.956,522 0.958,523 1.102,524 0.921,525 1.022,526 0.923,527 1.118,528 0.953,529 1.246,530 1.102,531 1.053,532 1.017,533 1.328,534 1.009,535 2.5,536 0.066,537 1.333,538 0.472,539 0.285,540 0.191,541 0.137,542 0.072,543 0.081,544 0.095,545 2225,546 6720,547 1.895,548 52.9,549 8,550 4,551 1,552 2,553 1,555 2,558 1.536,559 1.778,560 3.181,561 -0.229,563 1,564 1,565 1,567 50.896,568 1.497,569 3.245,570 4.146,571 4.558,572 4.676,573 4.676,574 2.5,575 3.125,576 3.976,577 3.356,578 402.691,579 6.623,580 3874.3,582 1,584 1,585 172.974,586 1.329,587 3.929,588 0.156,589 0.008,590 0.07,591 0.031,592 0.024,593 0.017,594 0.014,595 0.008,596 0.01,597 0.012,598 0.351,599 0.67,600 1,601 2.703,602 68.41,603 -0.053,604 -0.288,605 0.009,606 -0.107,607 -0.048,608 -0.054,609 0.179,610 0.024,611 -0.058,612 -0.082,613 0.256,614 -0.102,615 0.014,616 -0.134,617 -0.05,618 -0.166,619 0.103,620 -0.121,621 -0.134,622 -0.001,623 -0.106,624 0.001,625 -0.145,626 -0.043,627 -0.043,628 0.011,629 0.011,630 0.027,631 -0.056,632 0.029,633 -0.083,634 -0.001,635 -0.03,636 0.007,637 -0.098,639 -0.123,640 -0.001,641 -0.053,642 0.007,643 -0.142,644 -0.007,645 -0.133,646 -0.176,647 -0.063,648 -0.087,649 -0.182,650 -0.069,651 2.543,652 3.465,653 0.313,654 12.125,655 0.998,656 1.139,657 1.735,658 3.01,659 0.618,660 2.833,661 2.996,662 3.045,663 2.996,664 2.773,665 2.708,666 2.639,667 2.565,668 2.565,669 2.565,670 5.729,671 0.579,672 222.32,673 2.833,674 4.263,675 5.004,676 5.771,677 6.529,678 7.298,679 8.061,680 8.829,681 9.594,682 10.363,683 5.9,691 1,693 1,699 3,700 1,705 1,706 5,724 34,726 7,728 16,730 34,731 12,733 3,736 3,739 1,740 1,751 5,753 6,754 6,756 2,757 1,761 1,765 2,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,820 1,823 1,830 1,832 1,840 16,845 1,846 6,862 5.9,864 1,865 1,869 9,870 5.767,871 3.778,872 2.132,874 0.929,875 1.177,876 0.876,877 5.687,878 6.182,879 3.068,880 3.442,881 3.747,882 3.923,883 3.537,884 3.508,885 3.477,886 3.446,887 3.537,888 3.698,889 0.833,890 15,891 5.886,893 2.297,894 7.958,895 11.218,897 8.516,899 2.458,900 39.333,901 0.002,904 200.109,905 61.354,906 18.685,908 67.828,911 61.354,912 267.937,913 18.685,915 30.545,916 9.047,917 117.684,918 14.132,919 11.771,920 164.795,922 200.109,923 80.039,924 67.828,927 176.567,928 91.37,931 34.343,932 28.91,933 16.786,935 200.109,936 86.513,937 61.354,940 200.109,941 18.874,942 28.613,944 100.381,945 200.109,946 86.513,947 61.354,949 0.55,950 0.293,951 0.122,952 0.047,953 6,954 3,955 0.235,956 8,958 1,959 3,960 85.831,962 5,963 64,968 12.821,969 7.097,970 5.436,972 84.614,973 5.537,974 3.966,979 2.052,980 42.683,981 347.976,982 20.5,983 3.501,987 10.465,991 -0.562,994 33.927,995 38.737,996 0.294,997 0.638,998 0.815,999 0.896,1000 0.919,1001 0.919,1002 4.208,1003 0.159,1004 4.905,1005 1.372,1006 3.664,1007 4.119,1008 1.635,1009 5.493,1010 3.595,1011 5.322,1012 -0.538,1013 6.34,1014 0.334,1015 2.944,1016 3.651,1018 5.999,1019 2.841,1020 6.549,1021 -1,1022 7.88,1023 -1.185,1024 5.043,1025 6.033,1026 2.253,1027 8.954,1028 4.906,1029 7.813,1030 -1.11,1031 9.483,1032 -2,1033 5.198,1034 6.49,1036 10.335,1037 5.023,1038 9.114,1039 -1.414,1040 11.127,1041 -2.494,1042 6.686,1043 8.237,1044 2.922,1045 12.712,1046 6.486,1047 10.437,1048 -1.594,1049 12.798,1050 -3.122,1051 7.245,1052 9.094,1054 14.428,1055 7.015,1056 11.776,1057 -1.618,1058 14.488,1059 -3.658,1060 8.464,1061 10.574,1062 3.619,1063 16.588,1064 8.214,1065 2.644,1066 -1.841,1067 16.189,1068 -4.372,1069 9.218,1070 11.615,1072 18.446,1073 8.947,1074 2.542,1075 7.414,1076 17.899,1077 -4.747,1078 10.31,1079 12.972,1080 4.33,1081 20.514,1082 10.022,1083 1.784,1084 6.997,1085 19.615,1086 3.479,1087 11.162,1088 14.103,1090 22.437,1091 10.86,1092 1.414,1093 3.651,1094 21.334,1095 3.288,1096 12.19,1097 15.4,1098 5.047,1099 24.463,1100 11.875,1101 1.155,1102 3.01,1103 23.057,1104 1.893,1105 13.092,1106 16.577,1108 26.418,1109 12.769,1110 0.783,1111 2.488,1112 24.782,1113 1.726,1114 14.088,1115 17.842,1116 5.769,1117 28.424,1118 13.755,1119 0.618,1120 1.641,1121 26.508,1122 1.466,1123 15.017,1124 19.044,1126 30.395,1127 14.679,1128 2362,1129 4173,1130 10.227,1131 21.012,1132 22.635,1133 22.658,1134 22.544,1135 22.22,1136 22.2,1137 27.782,1138 2.873,1139 53.815,1140 21.426,1141 4.928,1142 5.502,1143 5.567,1144 4.672,1145 4.629,1146 6.064,1147 2.873,1148 12.743,1149 4.581,1150 8.395,1151 1.415,1152 1.416,1153 1.409,1154 1.389,1155 1.387,1156 1.736,1157 0.18,1158 3.363,1159 1.339,1160 3.941,1161 4.01,1162 3.868,1163 3.752,1164 7.475,1165 3.766,1166 3.782,1167 3.828,1168 3.682,1169 3.644,1170 6.351,1171 3.649,1172 3.568,1173 3.616,1174 3.434,1175 3.419,1176 4.953,1177 3.415,1178 3.252,1179 3.316,1180 3.082,1181 3.061,1182 4.597,1183 3.052,1184 2.945,1185 2.99,1186 2.783,1187 2.635,1188 4.108,1189 2.657,1190 2.777,1191 2.871,1192 2.522,1193 2.499,1194 3.784,1195 2.511,1196 2.495,1197 2.605,1198 2.266,1199 2.3,1200 3.429,1201 2.278,1202 2.409,1203 2.539,1204 2.123,1205 2.125,1206 3.314,1207 2.099,1208 0.249,1209 0.225,1210 0.359,1211 0.228,1212 0.165,1213 3.989,1214 0.217,1215 3.595,1216 0.09,1217 5.736,1218 0.463,1219 3.647,1220 0.165,1221 2.644,1222 3.479,1223 1.437,1224 7.414,1225 2.637,1226 1.81,1227 1.757,1228 2.037,1229 1.974,1230 1.381,1231 1.996,1232 1.665,1233 1.613,1234 1.865,1235 1.856,1236 1.128,1237 1.858,1238 1.445,1239 1.387,1240 1.655,1241 1.658,1242 0.799,1243 1.659,1244 1.299,1245 1.231,1246 1.497,1247 1.526,1248 0.53,1249 1.516,1250 1.126,1251 1.051,1252 1.394,1253 1.386,1254 0.377,1255 1.395,1256 0.78,1257 0.73,1258 1.175,1259 1.161,1260 0.228,1261 1.13,1262 0.705,1263 0.624,1264 0.978,1265 1.022,1266 0.063,1267 1.072,1268 0.402,1269 0.26,1270 0.928,1271 0.744,1273 0.819,1274 3.497,1276 4.691,1277 2.398,1278 6.033,1279 4.443,1280 7.439,1281 6.26,1282 8.879,1289 8.6,1290 5.775,1300 19.687,1301 50.896,1302 110.345,1303 140.974,1304 154.974,1305 158.974,1306 158.974,1307 32.041,1308 5.252,1309 55.12,1310 55.12,1311 5,1312 10.986,1313 3,1314 2.459,1315 35.137,1316 56,1317 36,1318 0.305,1319 128.357,1320 221.92,1321 304.95,1322 1022,1324 11.803,1325 0.738,1326 0.589,1327 11.803,1328 9.432,1329 7.698,1330 0.481,1331 0.348,1332 5.493,1333 7.38,1334 5.38,1335 4.532,1336 7.698,1337 5.567,1338 6.363,1339 0.335,1340 0.204,1341 6.363,1342 3.873,1343 4.635,1344 0.232,1345 0.125,1346 4.635,1347 2.507,1348 2.885,1349 0.152,1350 0.08,1351 2.885,1352 1.512,1353 1.609,1354 0.107,1355 0.058,1356 1.609,1357 0.863,1358 0.504,1359 48.457,1360 0.313,1361 17.194,1362 0.761,1363 70,1364 225.175,1365 77.953,1366 215.861,1367 276.14,1368 198,1369 74,1370 186.596,1371 81.347,1372 189.317,1373 264.32,1374 175,1375 7.796} {0 CHEMBL537261,1 1.447,2 9.222,3 2.726,4 7.432,5 70.715,6 7.719,7 0.632,8 3.512,9 3.61,10 3.096,11 3.131,12 4.748,13 3.104,14 3.941,15 4.074,16 3.364,17 3.458,18 5.272,19 3.401,20 4.163,21 4.348,22 3.271,23 3.543,24 5.239,25 3.434,26 4.191,27 4.439,28 3.087,29 3.432,30 5.136,31 3.293,32 4.019,33 4.246,34 3.126,35 3.304,36 5.116,37 3.206,38 3.945,39 4.15,40 3.002,41 3.152,42 5.176,43 3.073,44 3.76,45 4,46 2.631,47 2.904,48 4.831,49 2.788,50 3.373,51 3.613,52 2.396,53 2.613,54 4.343,55 2.499,56 0.023,57 0.381,58 5.562,59 2.827,60 7.882,61 3.415,62 0.133,63 0.593,64 9.255,65 4.381,66 29.801,67 5.562,68 0.092,69 0.727,70 12.831,71 5.783,72 24.549,73 7.483,74 0.13,75 0.747,76 14.896,77 6.04,78 28.854,79 8.27,80 0.056,81 0.62,82 12.05,83 5.132,84 17.061,85 6.963,86 0.131,87 0.568,88 11.322,89 4.317,90 29.896,91 5.41,92 0.137,93 0.468,94 10.013,95 3.677,96 29.186,97 4.77,98 0.032,99 0.318,100 6.409,101 2.665,102 11.018,103 3.665,104 8,105 24,106 0.272,107 0.587,108 0.76,109 0.854,110 0.87,111 0.87,112 2.958,113 0.889,114 -3.43,115 -3.41,116 -3.26,118 48.4,120 1,133 2,140 6,141 3,143 2,154 1,163 1,167 1,168 12,169 1,172 3,175 1,177 1,180 14,181 1,186 3,191 1,194 13,195 1,198 2,203 1,206 9,207 2,210 4,215 2,218 7,219 2,222 4,227 2,229 5,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 2,264 1,267 1,268 1,270 368,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.35,277 9.554,278 7.563,279 12.208,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 6.794,286 11.945,287 3.674,288 9.516,289 3.507,290 1.83,291 0.912,292 0.411,293 0.323,294 0.323,295 3.62,298 1,299 1,300 1,301 343,302 2.739,306 125.9,313 1.778,314 14.043,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38.5,326 166,327 4.105,328 3.474,329 5.617,330 3.727,331 2.728,332 3.705,333 1.437,334 7.79,335 2.724,336 3.89,337 2.977,338 5.34,339 3.485,340 2.49,341 3.428,342 0.68,343 6.973,344 2.476,345 3.648,346 2.526,347 4.964,348 3.209,349 2.209,350 2.969,352 5.897,353 2.192,354 3.385,355 2.167,356 4.6,357 2.998,358 2,359 2.633,361 5.018,362 1.986,363 2.868,364 1.5,365 3.592,366 2.386,367 1.42,368 2.025,370 3.041,371 1.37,372 2.5,373 1,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.5,382 1,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.954,390 2.372,391 0.968,392 3.042,393 1.663,394 0.659,395 1.019,397 1.467,398 0.656,399 1.394,400 0.476,401 2.708,402 1.056,403 0.061,404 0.079,406 0.151,407 0.061,408 0.872,409 0.262,410 2,411 0.482,412 -0.508,413 -0.646,415 -1.159,416 -0.498,417 0.51,418 -0.341,419 1.936,420 0.042,421 -1,422 -1.178,424 -2,425 -0.924,426 0.5,427 -0.832,428 1.585,430 -1,431 -1.453,433 -2.347,434 -0.973,435 0.5,436 -1,437 1.555,438 -0.024,439 -1,440 -1.5,442 -2.557,443 -1,444 0.296,445 -1,446 1.095,447 -0.063,448 -1,449 -1.5,451 -3,452 -1.025,453 -0.057,454 -1.197,455 1,456 -0.313,457 -1.296,458 -1.805,460 -3.287,461 -1.3,462 8.567,463 0.476,464 0.349,465 0.019,466 25.5,467 1.417,468 15,469 0.833,470 10.5,471 0.583,472 9.63,473 0.535,474 18.433,475 0.595,476 16.057,477 0.892,478 5.422,479 0.301,480 3.315,481 0.184,482 0.078,484 0.233,487 0.751,488 1.014,489 0.775,490 0.918,491 0.731,492 0.864,493 0.464,494 1.058,495 0.913,496 1.052,497 0.384,498 1.048,499 0.722,500 1.133,501 1.128,502 1.171,503 0.741,504 1.21,505 0.614,506 0.903,507 0.971,508 0.963,509 0.599,510 1.009,511 0.53,512 1.032,513 0.768,514 1.021,515 0.502,516 0.951,517 1.311,518 1.059,519 1.113,520 1.036,521 1.27,522 1.039,523 1.238,524 0.874,525 1.104,526 0.895,527 1.254,528 0.961,529 0.517,530 1.059,531 0.802,532 1.057,533 0.582,534 0.992,535 3.5,536 0.054,537 1.111,538 0.438,539 0.693,540 0.271,541 0.241,542 0.198,543 0.037,544 0.066,545 3019,546 9685,547 2.026,548 41.9,549 2,550 8,552 2,553 1,558 1.578,559 1.929,560 3.207,561 -0.334,563 1,564 1,565 1,567 44.871,568 1.447,569 3.124,570 4.042,571 4.543,572 4.632,573 4.632,574 2.78,575 3.461,576 4.136,577 3.36,578 514.111,579 6.983,580 5055.35,581 1,582 1,584 1,585 153.58,586 1.224,587 4.116,588 0.184,589 0.008,590 0.046,591 0.021,592 0.041,593 0.015,594 0.016,595 0.02,596 0.005,597 0.009,598 0.365,599 0.83,600 1,601 1.279,602 78.563,603 -0.068,604 0.002,606 0.052,607 -0.097,608 0.037,609 0.2,610 -0.042,611 -0.094,612 -0.09,613 0.249,614 -0.127,615 -0.082,616 -0.172,617 -0.245,618 -0.193,619 -0.082,620 -0.238,621 -0.013,622 0.053,623 0.002,624 0.024,625 -0.02,626 0.02,627 0.098,628 -0.097,629 0.19,630 -0.028,631 0.131,632 0.074,633 -0.151,634 -0.086,635 -0.113,636 -0.084,637 -0.112,638 -0.09,639 -0.158,640 0.084,641 -0.064,642 0.072,643 -0.177,644 0.03,645 0.109,646 -0.133,647 0.181,648 -0.062,649 0.048,650 0.047,651 2.602,652 3.387,653 0.667,654 15.333,655 1.002,656 1.11,657 2.197,658 4.825,659 0.693,660 2.996,661 3.219,662 3.332,663 3.497,664 3.714,665 3.555,666 3.611,667 3.714,668 3.611,669 3.497,670 5.559,671 0.665,672 239.29,673 2.996,674 4.466,675 5.242,676 6.057,677 6.853,678 7.672,679 8.478,680 9.298,681 10.109,682 10.931,683 3.2,693 1,699 8,700 1,704 3,706 12,724 31,726 14,727 1,728 19,730 32,731 15,733 11,734 2,735 4,736 3,739 2,740 2,751 1,753 14,754 1,756 2,761 1,763 2,765 1,769 1,772 13,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 2,830 1,832 2,840 18,845 1,846 1,862 6.5,864 1,865 1,869 9.333,870 5.4,871 4.083,872 1.697,874 2.61,875 1.434,876 0.938,877 4.002,878 8.619,879 3.332,880 3.85,881 4.317,882 4.796,883 5.348,884 5.34,885 5.674,886 6.098,887 6.315,888 6.477,889 1,890 21,891 6.578,893 2.662,894 7.954,895 12.35,897 9.572,899 2.454,900 44.167,901 0.001,904 141.253,905 106.906,906 16.786,908 67.828,911 106.906,912 209.081,913 16.786,915 2.535,916 75.81,917 109.066,918 27.652,920 117.711,922 141.253,923 123.691,924 67.828,927 141.253,928 67.828,931 20.629,932 67.324,933 35.738,935 141.253,936 84.614,937 106.906,940 141.253,941 13.001,942 93.905,944 84.614,945 141.253,946 84.614,947 106.906,949 0.558,950 0.288,951 0.146,952 0.089,953 10,954 4,955 0.125,956 4,958 1,959 3.189,960 114.613,962 12,963 71.059,968 12.217,969 5.897,970 3.937,972 84.614,973 15.353,974 4.071,978 3.217,980 42.683,981 332.773,982 27,987 10.387,989 2.715,991 -0.936,994 31.058,995 34.408,996 0.292,997 0.631,998 0.816,999 0.917,1000 0.935,1001 0.935,1002 4.489,1003 0.659,1004 5.165,1005 2.136,1006 3.892,1007 4.533,1008 1.801,1009 5.808,1010 3.874,1011 5.661,1012 0.061,1013 6.613,1014 1.467,1015 3.219,1016 3.98,1018 6.326,1019 3.209,1020 6.912,1021 -0.508,1022 8.15,1023 0.151,1024 5.323,1025 6.603,1026 2.297,1027 9.313,1028 5.297,1029 8.194,1030 -1,1031 9.736,1032 -1.159,1033 5.398,1034 6.79,1036 10.614,1037 5.385,1038 9.499,1039 -1,1040 11.354,1041 -2,1042 6.974,1043 8.888,1044 2.933,1045 13.069,1046 6.943,1047 10.821,1048 -1,1049 12.992,1050 -2.347,1051 7.427,1052 9.456,1054 14.723,1055 7.408,1056 12.156,1057 -1,1058 14.644,1059 -2.557,1060 8.738,1061 11.277,1062 3.621,1063 16.954,1064 8.703,1065 2.728,1066 -1.296,1067 16.307,1068 -3,1069 9.409,1070 12.079,1072 18.789,1073 9.384,1074 2.49,1075 7.79,1076 17.978,1077 -3.287,1078 10.573,1079 13.728,1080 4.33,1081 20.915,1082 10.535,1083 2.209,1084 6.973,1085 19.655,1086 3.705,1087 11.374,1088 14.686,1090 22.847,1091 11.344,1092 2,1093 5.897,1094 21.337,1095 3.428,1096 12.457,1097 16.22,1098 5.048,1099 24.924,1100 12.417,1101 1.42,1102 5.018,1103 23.023,1104 2.969,1105 13.336,1106 17.286,1108 26.906,1109 13.302,1110 1,1111 3.041,1112 24.712,1113 2.633,1114 14.375,1115 18.743,1116 5.769,1117 28.962,1118 14.333,1119 1,1120 2.275,1121 26.404,1122 2.025,1123 15.301,1124 19.882,1126 30.972,1127 15.263,1128 3058,1129 5551,1130 12.712,1131 21.483,1132 27.798,1133 27.834,1134 27.575,1135 27.149,1136 27.134,1137 37.714,1138 4.233,1139 69.494,1140 26.836,1141 4.852,1142 5.474,1143 5.419,1144 4.762,1145 4.728,1146 6.705,1147 2.873,1148 13.304,1149 4.724,1150 7.587,1151 1.463,1152 1.465,1153 1.451,1154 1.429,1155 1.428,1156 1.985,1157 0.223,1158 3.658,1159 1.412,1160 3.987,1161 4.017,1162 3.924,1163 3.93,1164 7.476,1165 3.925,1166 3.817,1167 3.854,1168 3.754,1169 3.728,1170 6.351,1171 3.729,1172 3.548,1173 3.559,1174 3.487,1175 3.394,1176 4.906,1177 3.407,1178 3.154,1179 3.197,1180 3.047,1181 2.998,1182 4.734,1183 3.001,1184 2.855,1185 2.925,1186 2.728,1187 2.735,1188 4.134,1189 2.715,1190 2.854,1191 2.891,1192 2.687,1193 2.657,1194 3.838,1195 2.671,1196 2.753,1197 2.837,1198 2.616,1199 2.518,1200 3.715,1201 2.535,1202 2.521,1203 2.596,1204 2.347,1205 2.298,1206 3.674,1207 2.31,1208 0.216,1209 0.183,1210 0.296,1211 0.196,1212 0.144,1213 4.105,1214 0.195,1215 3.474,1216 0.076,1217 5.617,1218 0.41,1219 3.727,1220 0.143,1221 2.728,1222 3.705,1223 1.437,1224 7.79,1225 2.724,1226 1.97,1227 1.944,1228 2.08,1229 2.048,1230 1.233,1231 2.06,1232 1.803,1233 1.769,1234 1.924,1235 1.916,1236 0.986,1237 1.921,1238 1.482,1239 1.46,1240 1.634,1241 1.669,1242 0.68,1243 1.647,1244 1.126,1245 1.081,1246 1.37,1247 1.327,1248 0.459,1249 1.339,1250 0.886,1251 0.821,1252 1.181,1253 1.062,1254 0.218,1255 1.107,1256 0.785,1257 0.751,1258 1.041,1259 1.06,1260 0.073,1261 1.046,1262 0.697,1263 0.623,1264 0.952,1265 0.98,1267 0.994,1268 0.5,1269 0.433,1270 0.86,1271 0.768,1273 0.81,1274 3.664,1276 4.905,1278 6.33,1280 7.832,1282 9.372,1289 8.53,1290 0.83,1300 20.612,1301 44.871,1302 96.851,1303 125.315,1304 140.825,1305 143.58,1306 143.58,1307 24.727,1308 6.009,1309 50.19,1310 50.19,1311 12,1312 11.513,1313 3.907,1314 3.17,1315 31.29,1316 60,1317 52,1318 0.261,1319 131.236,1320 229,1321 311.977,1322 2712,1324 12.795,1325 0.711,1326 0.544,1327 12.795,1328 9.783,1329 8.737,1330 0.46,1331 0.296,1332 5.581,1333 8.514,1334 5.441,1335 4.558,1336 8.737,1337 5.627,1338 7.598,1339 0.317,1340 0.165,1341 7.598,1342 3.951,1343 5.51,1344 0.204,1345 0.094,1346 5.51,1347 2.529,1348 4.219,1349 0.132,1350 0.052,1351 4.219,1352 1.653,1353 3.591,1354 0.09,1355 0.028,1356 3.591,1357 1.138,1358 0.416,1359 54.078,1360 0.28,1361 18.661,1362 0.691,1363 86,1364 267.53,1365 91.816,1366 263.779,1367 347.01,1368 244,1369 94,1370 239.779,1371 98.157,1372 247.438,1373 348.16,1374 231,1375 8} {0 CHEMBL537488,1 1.373,2 8.933,3 1.759,4 3.095,5 61.403,6 5.953,7 0.333,8 3.582,9 3.733,10 2.936,11 3.054,12 4.522,13 2.984,14 4.16,15 4.398,16 3.126,17 3.396,18 4.994,19 3.271,20 4.398,21 4.686,22 2.885,23 3.441,24 5.149,25 3.237,26 4.357,27 4.675,28 2.785,29 3.361,30 5.001,31 3.138,32 4.245,33 4.56,34 2.697,35 3.247,36 4.915,37 3.031,38 4.118,39 4.43,40 2.6,41 3.119,42 4.821,43 2.912,44 3.972,45 4.28,46 2.494,47 2.971,48 4.717,49 2.776,50 3.802,51 4.104,52 2.374,53 2.798,54 4.602,55 2.62,56 0.033,57 0.482,58 8.554,59 3.252,60 4.95,61 4.882,62 0.135,63 0.718,64 14.892,65 5.132,66 11.129,67 7.854,68 0.188,69 0.751,70 18.128,71 6.247,72 23.898,73 9.45,74 0.153,75 0.701,76 16.988,77 5.907,78 17.451,79 9.069,80 0.143,81 0.626,82 15.226,83 5.188,84 16.47,85 8.007,86 0.132,87 0.551,88 13.464,89 4.47,90 15.489,91 6.946,92 0.122,93 0.476,94 11.702,95 3.751,96 14.508,97 5.884,98 0.112,99 0.401,100 9.94,101 3.032,102 13.61,103 4.823,104 13,105 17,106 0.261,107 0.508,108 0.72,109 0.821,110 0.872,111 0.872,112 2.787,113 1.148,114 -3.05,115 -3.05,116 -2.94,118 34.3,119 1,120 6,124 1,143 1,149 1,152 1,156 1,168 5,171 1,172 3,180 5,186 2,194 4,198 3,206 3,210 3,218 2,222 3,229 1,234 3,242 1,247 1,258 1,259 2,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9.259,277 7.953,278 6.652,279 10.221,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 6.252,286 4.493,287 3.241,288 7.656,289 3.756,290 2.453,291 1.335,292 0.808,293 0.536,294 0.536,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 9.56,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 32,326 134,327 3.92,328 3.562,329 5.352,330 3.458,331 2.542,332 3.479,333 2.178,334 6.997,335 2.339,336 3.55,337 2.646,338 4.659,339 3.284,340 2.235,341 2.71,343 5.184,344 2.325,345 2.854,346 1.838,347 3.822,348 2.784,349 1.784,350 1.884,352 3.61,353 1.782,354 2.643,355 1.504,356 3.509,357 2.37,358 1.395,359 1.668,361 2.888,362 1.359,363 2.251,364 1.217,365 3.162,366 2.035,367 1.072,368 1.217,370 2.232,371 1.028,372 2.118,373 0.787,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.645,382 0.618,383 2.652,384 1.517,385 0.526,386 0.567,388 1.09,389 0.52,390 0.989,391 0.355,392 2.131,393 0.855,394 -0.136,395 -0.146,397 -0.292,398 -0.135,399 0.503,400 -0.034,401 1.605,402 0.224,403 -0.763,404 -0.807,406 -1.699,407 -0.743,408 0.271,409 -0.53,410 1.059,411 0.093,412 -1,413 -1.263,415 -2,416 -1.09,417 -0.062,418 -1.037,419 1,420 -0.282,421 -1.253,422 -1.476,424 -2.746,425 -1.221,426 -0.118,427 -1.475,428 1,429 -0.603,430 -1.583,431 -1.776,433 -3.358,434 -1.472,435 -0.394,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -1.972,442 -4.156,443 -1.549,444 -0.733,445 -1.756,446 0.37,447 -0.861,448 -1.838,449 -2.427,450 -0.68,451 -4.372,452 -1.777,453 -0.937,454 -1.918,455 0.133,456 -1.024,457 -1.982,458 -2.585,459 -1.498,460 -4.75,461 -1.942,462 7.133,463 0.476,464 0.212,465 0.014,466 14.5,467 0.967,468 5.5,469 0.367,470 9,471 0.6,472 12.336,473 0.822,474 18.067,475 0.516,476 6.844,477 0.456,478 2.514,479 0.168,480 4.773,481 0.318,482 0.117,484 0.126,487 0.673,488 1.712,489 1.029,490 1.452,491 0.505,492 1.303,493 0.829,494 1.212,495 1.101,496 1.214,497 0.551,498 1.182,499 1.141,500 0.998,501 1.113,502 1.061,503 1.257,504 1.09,505 0.725,506 0.902,507 0.909,508 0.948,509 0.705,510 0.95,511 0.801,512 0.907,513 0.924,514 0.941,515 0.787,516 0.947,517 0.898,518 0.913,519 0.943,520 0.933,521 0.892,522 0.942,523 1.029,524 0.921,525 0.969,526 0.922,527 1.032,528 0.936,529 1.211,530 0.933,531 1.005,532 0.907,533 1.228,534 0.927,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 4612,547 1.925,548 57.1,549 8,550 2,551 1,552 2,554 5,555 2,558 1.514,559 1.837,560 3.175,561 -0.781,563 1,565 1,567 48.067,568 1.373,569 2.676,570 3.794,571 4.322,572 4.593,573 4.593,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 179.525,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.83,600 1,601 2.732,602 62.811,603 0.032,604 -0.327,605 0.031,606 -0.152,607 0.047,608 -0.077,609 0.011,610 -0.04,611 -0.088,612 -0.13,613 0.058,614 -0.12,615 -0.133,616 -0.052,617 -0.151,618 -0.074,619 -0.127,620 -0.112,621 -0.016,622 -0.003,623 0.006,624 0.006,625 -0.021,626 0.009,627 -0.03,628 -0.003,629 0.001,630 0.006,631 -0.035,632 0.008,633 -0.047,634 -0.004,635 -0.006,636 0.007,637 -0.054,638 0.006,639 -0.071,640 -0.005,641 -0.015,642 0.007,643 -0.079,644 0.004,645 -0.104,646 -0.006,647 -0.028,648 0.007,649 -0.112,650 0.001,651 1.353,652 3.678,653 0.333,654 11.271,655 0.985,656 1.141,657 1.821,658 3.317,659 0.609,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.557,672 208.34,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 5.7,691 1,693 1,699 3,700 1,705 1,706 5,724 35,726 6,728 15,730 35,731 12,733 3,739 1,740 1,745 1,751 6,753 4,754 8,756 1,761 1,765 1,769 1,772 20,773 2,775 3,778 1,779 2,784 1,785 1,801 1,814 1,832 1,836 1,840 15,846 7,862 2.9,865 1,869 8.167,870 6.317,871 3.583,872 2.394,874 0.875,875 1.17,876 0.897,877 5.946,878 6.016,879 2.97,880 3.305,881 3.537,882 3.883,883 3.477,884 3.446,885 3.414,886 3.38,887 3.346,888 3.446,889 0.833,890 12,891 5.552,892 -0.001,893 2.11,894 7.644,895 10.981,897 8.367,898 -0.001,899 2.144,900 32.167,901 0.007,904 235.422,905 57.985,906 18.685,908 25.145,911 57.985,912 260.567,913 18.685,914 8.825,915 17.313,916 9.047,917 79.225,918 10.947,919 11.771,920 200.109,922 235.422,923 76.67,924 25.145,927 211.88,928 48.687,931 45.703,932 14.181,933 16.786,935 235.422,936 43.83,937 57.985,940 235.422,941 22.446,942 37.438,944 41.93,945 235.422,946 43.83,947 57.985,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.229,956 8,958 1,959 2.962,960 76.457,962 5,963 58.603,968 12.123,969 7.358,970 6.187,972 41.93,973 5.665,974 3.995,979 2.107,981 337.237,982 18.5,987 10.678,991 0.313,994 34.483,995 39.943,996 0.268,997 0.522,998 0.74,999 0.843,1000 0.896,1001 0.896,1002 4.082,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 3.98,1008 2.134,1009 5.252,1010 3.506,1011 5.153,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1017 2.036,1018 5.46,1019 2.532,1020 6.339,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 5.82,1026 3.359,1027 8.47,1028 4.732,1029 7.561,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.084,1035 3.746,1036 9.649,1037 4.576,1038 8.818,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 7.954,1044 4.781,1045 12.016,1046 6.166,1047 10.098,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.683,1053 5.379,1054 13.616,1055 6.422,1056 11.395,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.244,1062 6.279,1063 15.733,1064 7.709,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.213,1071 6.973,1072 17.524,1073 8.193,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.622,1080 7.81,1081 19.539,1082 9.312,1083 1.784,1084 5.184,1085 18.681,1086 3.479,1087 10.412,1088 13.718,1089 8.548,1090 21.415,1091 9.93,1092 1.395,1093 3.61,1094 20.326,1095 2.71,1096 11.465,1097 15.049,1098 9.354,1099 23.389,1100 10.95,1101 1.072,1102 2.888,1103 21.976,1104 1.884,1105 12.261,1106 16.214,1107 10.114,1108 25.303,1109 11.65,1110 0.618,1111 2.232,1112 23.63,1113 1.668,1114 13.26,1115 17.504,1116 10.905,1117 27.259,1118 12.609,1119 0.526,1120 1.372,1121 25.288,1122 1.217,1123 14.107,1124 18.706,1125 11.675,1126 29.19,1127 13.36,1128 2036,1129 3210,1130 9.822,1131 21.319,1132 20.695,1133 20.616,1134 20.581,1135 20.286,1136 20.347,1137 24.903,1138 4.357,1139 46.746,1140 19.858,1141 4.857,1142 5.479,1143 5.22,1144 4.482,1145 4.524,1146 6.064,1147 3.677,1148 11.747,1149 4.281,1150 6.767,1151 1.38,1152 1.374,1153 1.372,1154 1.352,1155 1.356,1156 1.66,1157 0.29,1158 3.116,1159 1.324,1160 3.941,1161 4.01,1162 3.868,1163 3.749,1164 7.427,1165 3.764,1166 3.772,1167 3.828,1168 3.637,1169 3.623,1170 4.953,1171 3.622,1172 3.576,1173 3.632,1174 3.43,1175 3.417,1176 4.165,1177 3.412,1178 3.303,1179 3.38,1180 3.111,1181 3.127,1182 3.93,1183 3.112,1184 2.983,1185 3.088,1186 2.73,1187 2.779,1188 3.739,1189 2.75,1190 2.669,1191 2.789,1192 2.373,1193 2.424,1194 3.514,1195 2.394,1196 2.481,1197 2.582,1198 2.258,1199 2.278,1200 3.336,1201 2.258,1202 2.39,1203 2.501,1204 2.135,1205 2.058,1206 3.152,1207 2.049,1208 0.261,1209 0.237,1210 0.357,1211 0.231,1212 0.169,1213 3.92,1214 0.232,1215 3.562,1216 0.145,1217 5.352,1218 0.466,1219 3.458,1220 0.156,1221 2.542,1222 3.479,1223 2.178,1224 6.997,1225 2.339,1226 1.808,1227 1.75,1228 2.046,1229 1.977,1230 1.398,1231 2.002,1232 1.666,1233 1.607,1234 1.894,1235 1.87,1236 1.186,1237 1.879,1238 1.471,1239 1.408,1240 1.716,1241 1.691,1242 0.905,1243 1.703,1244 1.309,1245 1.242,1246 1.554,1247 1.527,1248 0.683,1249 1.526,1250 1.21,1251 1.126,1252 1.465,1253 1.459,1254 0.526,1255 1.483,1256 0.939,1257 0.836,1258 1.31,1259 1.2,1260 0.387,1261 1.251,1262 0.63,1263 0.511,1264 1.088,1265 0.938,1266 0.236,1267 0.996,1268 0.337,1269 0.208,1270 0.874,1271 0.706,1272 0.05,1273 0.764,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1284 1.666,1290 7.743,1300 19.499,1301 48.067,1302 93.674,1303 132.796,1304 151.26,1305 160.77,1306 160.77,1307 25.62,1308 5.142,1309 34.89,1310 34.89,1311 5,1312 10.785,1313 2.807,1314 2.17,1315 31.761,1316 51,1317 38,1318 0.299,1319 127.288,1320 215.77,1321 302.342,1322 894,1324 10.933,1325 0.729,1326 0.632,1327 10.933,1328 9.484,1329 7.288,1330 0.486,1331 0.383,1332 5.681,1333 7.031,1334 5.515,1335 4.665,1336 7.288,1337 5.74,1338 5.889,1339 0.346,1340 0.236,1341 5.889,1342 4.02,1343 3.869,1344 0.228,1345 0.147,1346 3.869,1347 2.504,1348 2.815,1349 0.156,1350 0.09,1351 2.815,1352 1.618,1353 1.559,1354 0.111,1355 0.067,1356 1.559,1357 0.937,1358 0.497,1359 45.416,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 177.026,1365 69.628,1366 170.056,1367 219.66,1368 158,1369 66,1370 147.566,1371 71.353,1372 149.964,1373 205.74,1374 139,1375 6} {0 CHEMBL53754,1 1.56,2 12.879,3 3.582,4 12.83,5 120.513,6 7.492,7 0.444,8 4.189,9 4.297,10 3.745,11 3.717,12 5.338,13 3.704,14 4.739,15 4.897,16 4.118,17 4.137,18 5.93,19 4.09,20 5.06,21 5.273,22 4.163,23 4.293,24 6.088,25 4.216,26 5.145,27 5.352,28 4.165,29 4.3,30 6.263,31 4.226,32 5.154,33 5.384,34 4.063,35 4.226,36 6.369,37 4.127,38 5.084,39 5.316,40 3.973,41 4.117,42 6.331,43 4.022,44 4.972,45 5.211,46 3.839,47 4.059,48 5.998,49 3.956,50 4.907,51 5.125,52 3.992,53 4.038,54 6.061,55 3.978,56 0.085,57 0.852,58 12.06,59 5.621,60 18.955,61 7.074,62 0.407,63 1.42,64 22.804,65 9.501,66 75.661,67 12.756,68 0.566,69 1.768,70 35.097,71 12.787,72 83.149,73 17.457,74 0.63,75 1.822,76 39.023,77 13.733,78 114.418,79 18.148,80 0.803,81 1.76,82 40.877,83 13.966,84 158.847,85 18.999,86 0.966,87 1.593,88 39.123,89 12.698,90 172.125,91 17.15,92 0.626,93 1.468,94 34.55,95 11.618,96 116.979,97 15.742,98 0.5,99 1.409,100 31.089,101 10.883,102 76.792,103 14.642,104 30,105 50,106 0.251,107 0.587,108 0.764,109 0.896,110 0.914,111 0.914,112 3.531,113 0.934,114 -3.97,115 -3.92,116 -3.72,118 41.7,120 7,121 1,126 1,140 7,141 1,142 1,143 1,150 2,154 3,156 1,163 2,167 2,168 13,169 1,171 2,172 9,173 1,175 2,177 1,180 12,181 3,185 1,186 10,189 1,191 3,194 10,195 3,198 13,199 1,203 3,206 10,207 4,209 1,210 10,211 2,213 1,215 4,218 10,219 4,221 2,222 9,225 2,227 4,229 10,230 1,234 5,235 1,239 1,242 9,243 5,244 1,246 1,247 9,248 2,250 1,252 5,253 2,255 9,256 4,258 1,259 5,260 1,262 2,263 1,264 4,267 8,268 3,270 2021,271 22.242,272 22.242,273 22.242,274 22.242,275 22.242,276 19.863,277 19.621,278 13.178,279 22.484,280 17.755,281 17.755,282 17.755,283 17.755,284 17.755,285 14.15,286 19.125,287 6.171,288 18.162,289 4.347,290 2.262,291 1.165,292 0.346,293 0.233,294 0.233,295 4.225,299 1,300 1,301 924,302 4.637,305 166.555,306 207.57,309 312.565,313 2.086,314 47.664,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 72.5,326 425,327 4.509,328 3.945,329 6.979,330 4.253,331 3.291,332 4.457,333 2.378,334 11.843,335 3.164,336 4.489,337 3.724,338 6.512,339 3.986,340 3.045,341 3.961,342 2.341,343 10.214,344 2.865,345 3.893,346 3.588,347 5.915,348 3.729,349 2.726,350 3.106,351 1.938,352 8.153,353 2.721,354 3.787,355 3.117,356 5.852,357 3.438,358 2.443,359 3.022,360 0.594,361 7.825,362 2.421,363 3.595,364 3.037,365 5.503,366 3.295,367 2.284,368 2.876,370 6.784,371 2.291,372 3.499,373 2.296,374 5.203,375 3.113,376 2.133,377 2.767,379 6.251,380 2.088,381 3.048,382 2.135,383 4.525,384 2.577,385 1.579,386 2.321,388 4.307,389 1.565,390 2.928,391 2.075,392 4.139,393 2.526,394 1.548,395 2.088,397 3.712,398 1.519,399 2.882,400 1.821,401 4.016,402 2.514,403 1.532,404 1.992,406 3.392,407 1.493,408 2.75,409 1.548,410 3.869,411 2.483,412 1.483,413 1.731,415 3.254,416 1.477,417 2.5,418 1.456,419 3.594,420 2.205,421 1.202,422 1.5,424 2.765,425 1.193,426 2.45,427 1.381,428 3.554,429 2.012,430 1.017,431 1.406,433 2.484,434 0.997,435 2.355,436 1.052,437 3.405,438 1.923,439 1,440 1.24,442 2.232,443 0.921,444 2.068,445 1,446 3.301,447 1.747,448 0.763,449 0.937,451 1.827,452 0.748,453 1.774,454 0.811,455 3.165,456 1.519,457 0.54,458 0.649,460 1.346,461 0.526,462 15.367,463 0.466,464 0.806,465 0.024,466 40.25,467 1.22,468 19,469 0.576,470 21.25,471 0.644,472 31.179,473 0.945,474 36.233,475 0.604,476 32.105,477 0.973,478 7.674,479 0.233,480 8.279,481 0.251,482 0.108,484 0.345,487 0.752,488 1.333,489 0.787,490 1.097,491 0.649,492 0.974,493 0.448,494 1.248,495 0.853,496 1.139,497 0.394,498 1.084,499 0.834,500 0.992,501 0.964,502 0.986,503 0.828,504 0.993,505 1.174,506 1.049,507 1.098,508 1.072,509 1.183,510 1.069,511 0.994,512 1.008,513 1.037,514 1.07,515 1.002,516 1.064,517 1.132,518 0.88,519 1.059,520 0.943,521 1.203,522 0.985,523 1.159,524 0.878,525 1.053,526 0.912,527 1.198,528 0.956,529 0.986,530 0.993,531 0.895,532 1.035,533 1.036,534 0.961,535 5.5,536 0.187,537 4,538 2.604,539 2.051,540 0.788,541 0.572,542 0.543,543 0.491,544 0.265,545 16932,546 48040,547 2.061,548 45,549 8,550 8,552 2,553 2,554 5,555 2,558 1.75,559 1.922,560 3.58,561 0.192,563 1,567 93.571,568 1.56,569 3.645,570 4.742,571 5.561,572 5.674,573 5.674,574 3.001,575 4.681,576 5.022,577 3.868,578 2042.46,579 8.779,580 32191,582 1,585 354.413,586 1.434,587 4.971,588 0.153,589 0.006,590 0.08,591 0.051,592 0.042,593 0.019,594 0.015,595 0.016,596 0.012,597 0.007,598 0.4,599 0.33,600 1,601 0.81,602 177.8,603 -0.07,604 -0.138,605 0.024,606 0.002,607 -0.041,608 0.023,609 0.208,610 -0.102,611 0.006,612 -0.092,613 0.178,614 -0.089,615 -0.028,616 0.04,617 -0.022,618 0.015,619 -0.055,620 0.002,621 -0.154,622 -0.065,623 -0.12,624 -0.082,625 -0.132,626 -0.089,627 0.018,628 -0.073,629 -0.034,630 -0.091,631 0.065,632 -0.072,633 0.027,634 0.034,635 -0.024,636 0.018,637 0.023,638 -0.009,639 -0.148,640 0.05,641 -0.043,642 0.065,643 -0.158,644 0.039,645 0.017,646 -0.027,647 0.095,648 -0.048,649 -0.027,650 0.027,651 2.72,652 5.925,653 0.545,654 33.174,655 1.009,656 1.125,657 2.736,658 7.483,659 0.657,660 3.611,661 3.932,662 4.22,663 4.489,664 4.644,665 4.663,666 4.691,667 4.787,668 4.644,669 4.595,670 8.067,671 0.633,672 449.55,673 3.611,674 5.153,675 6.009,676 6.891,677 7.768,678 8.655,679 9.54,680 10.431,681 11.32,682 12.213,683 5,690 1,691 1,693 1,698 1,699 9,700 1,704 3,706 16,724 60,726 19,727 1,728 36,730 63,731 25,733 13,734 2,735 4,739 4,740 6,748 2,751 8,753 16,754 9,755 1,756 3,761 3,765 3,769 1,772 27,773 7,774 2,775 8,778 1,779 3,784 0.5,785 5,795 1,801 2,802 2,805 2,817 1,818 2,830 2,832 2,840 33,845 2,846 7,850 2,851 1,862 8.3,864 2,865 3,869 17.167,870 10.417,871 7.306,872 3.768,874 2.92,875 1.377,876 0.937,877 7.216,878 10.654,879 3.871,880 4.428,881 4.962,882 5.515,883 5.948,884 6.135,885 6.391,886 6.682,887 6.356,888 6.348,889 1,890 51,891 12.37,893 5.471,894 8.01,895 23.176,897 19.496,899 2.51,900 82.833,903 1,904 294.278,905 119.109,906 21.196,908 160.801,911 119.109,912 455.079,913 21.196,915 20.866,916 66.334,917 216.272,918 16.276,919 4.901,920 270.735,922 294.278,923 140.305,924 160.801,927 270.735,928 184.344,931 39.819,932 83.701,933 16.786,935 294.278,936 181.998,937 119.109,940 294.278,941 35.109,942 88.411,944 177.587,945 294.278,946 181.998,947 119.109,949 0.58,950 0.345,951 0.191,952 0.101,953 23,954 11,955 0.159,956 10,957 2,958 1.222,959 4.432,960 295.982,961 0.222,962 18,963 166.465,968 23.155,969 10.284,970 5.156,971 1.026,972 180.711,973 16.739,974 4.158,978 2.552,980 85.367,981 595.384,982 47,987 36.396,991 -2.316,994 60.545,995 67.524,996 0.264,997 0.617,998 0.803,999 0.941,1000 0.96,1001 0.96,1002 5.112,1003 1.548,1004 5.994,1005 4.307,1006 4.615,1007 5.115,1008 3.233,1009 6.823,1010 4.568,1011 6.303,1012 1.532,1013 7.566,1014 3.712,1015 4.205,1016 4.913,1017 3.098,1018 7.803,1019 4.117,1020 7.604,1021 1.483,1022 9.245,1023 3.392,1024 6.217,1025 7.262,1026 4.561,1027 10.93,1028 6.107,1029 8.942,1030 1.202,1031 10.988,1032 3.254,1033 6.673,1034 7.934,1035 4.991,1036 12.792,1037 6.504,1038 10.316,1039 1.017,1040 12.774,1041 2.765,1042 8.142,1043 9.765,1044 6.091,1045 15.441,1046 7.951,1047 11.716,1048 1,1049 14.589,1050 2.484,1051 8.988,1052 10.85,1053 6.749,1054 17.652,1055 8.733,1056 13.135,1057 0.763,1058 16.425,1059 2.232,1060 10.254,1061 12.477,1062 7.708,1063 20.156,1064 9.97,1065 3.291,1066 0.54,1067 18.277,1068 1.827,1069 11.276,1070 13.763,1071 8.47,1072 22.51,1073 10.932,1074 3.045,1075 11.843,1076 20.141,1077 1.346,1078 12.469,1079 15.304,1080 9.369,1081 24.973,1082 12.087,1083 2.726,1084 10.214,1085 22.015,1086 4.457,1087 13.569,1088 16.689,1089 10.18,1090 27.385,1091 13.133,1092 2.443,1093 8.153,1094 23.898,1095 3.961,1096 14.739,1097 18.193,1098 11.054,1099 29.839,1100 14.262,1101 2.284,1102 7.825,1103 25.787,1104 3.106,1105 15.875,1106 19.628,1107 11.888,1108 32.278,1109 15.349,1110 2.133,1111 6.784,1112 27.682,1113 3.022,1114 17.04,1115 21.117,1116 12.752,1117 34.733,1118 16.472,1119 1.579,1120 6.251,1121 29.582,1122 2.876,1123 18.195,1124 22.576,1125 13.598,1126 37.184,1127 17.58,1128 15974,1129 27052,1130 23.868,1131 39.426,1132 54.538,1133 55.761,1134 55.965,1135 53.921,1136 53.865,1137 68.946,1138 14.502,1139 154.423,1140 52.67,1141 5.487,1142 5.945,1143 6.664,1144 5.303,1145 5.291,1146 7.457,1147 3.993,1148 19.065,1149 5.164,1150 17.054,1151 1.515,1152 1.549,1153 1.555,1154 1.498,1155 1.496,1156 1.915,1157 0.403,1158 4.29,1159 1.463,1160 4.124,1161 4.173,1162 4.084,1163 3.985,1164 7.477,1165 4.002,1166 4.027,1167 4.059,1168 3.975,1169 3.93,1170 7.471,1171 3.936,1172 3.811,1173 3.853,1174 3.703,1175 3.688,1176 7.426,1177 3.682,1178 3.592,1179 3.639,1180 3.5,1181 3.445,1182 6.352,1183 3.446,1184 3.521,1185 3.555,1186 3.406,1187 3.36,1188 6.35,1189 3.366,1190 3.379,1191 3.411,1192 3.304,1193 3.198,1194 5.052,1195 3.206,1196 3.305,1197 3.346,1198 3.2,1199 3.113,1200 4.747,1201 3.131,1202 3.081,1203 3.13,1204 2.955,1205 2.881,1206 4.376,1207 2.889,1208 0.125,1209 0.11,1210 0.194,1211 0.118,1212 0.091,1213 4.509,1214 0.124,1215 3.945,1216 0.066,1217 6.979,1218 0.329,1219 4.253,1220 0.088,1221 3.291,1222 4.457,1223 2.378,1224 11.843,1225 3.164,1226 1.952,1227 1.913,1228 2.078,1229 2.09,1230 1.412,1231 2.085,1232 1.888,1233 1.862,1234 2.003,1235 1.985,1236 1.244,1237 1.99,1238 1.796,1239 1.754,1240 1.978,1241 1.941,1242 1.176,1243 1.956,1244 1.616,1245 1.575,1246 1.815,1247 1.824,1248 1.068,1249 1.813,1250 1.507,1251 1.459,1252 1.709,1253 1.694,1254 0.975,1255 1.706,1256 1.342,1257 1.287,1258 1.546,1259 1.567,1260 0.783,1261 1.554,1262 1.235,1263 1.191,1264 1.435,1265 1.505,1266 0.497,1267 1.478,1268 1.018,1269 0.957,1270 1.258,1271 1.267,1272 0.362,1273 1.263,1274 4.29,1276 5.609,1277 3.045,1278 7.116,1279 5.416,1280 8.714,1281 7.554,1282 10.365,1289 19.214,1290 3.296,1294 -1.58,1295 1.322,1300 37.96,1301 93.571,1302 218.723,1303 284.497,1304 333.659,1305 340.413,1306 340.413,1307 89.303,1308 7.735,1309 112.21,1310 112.21,1311 22,1312 12.741,1313 4.322,1314 3.585,1315 54.578,1316 161,1317 130,1318 0.159,1319 232.096,1320 409.47,1321 558.073,1322 28854,1324 23.372,1325 0.708,1326 0.553,1327 23.372,1328 18.261,1329 15.952,1330 0.443,1331 0.311,1332 11.073,1333 15.351,1334 10.9,1335 8.967,1336 15.952,1337 11.21,1338 14.318,1339 0.286,1340 0.17,1341 14.318,1342 8.476,1343 11.854,1344 0.177,1345 0.095,1346 11.854,1347 6.353,1348 9.973,1349 0.113,1350 0.052,1351 9.973,1352 4.609,1353 7.829,1354 0.076,1355 0.03,1356 7.829,1357 3.09,1358 0.257,1359 100.139,1360 0.205,1361 31.14,1362 0.417,1363 172,1364 534.441,1365 190.342,1366 509.971,1367 676.38,1368 472,1369 203,1370 481.829,1371 220.269,1372 482.541,1373 704.26,1374 455,1375 7.155} {0 CHEMBL537708,1 1.658,2 8.765,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.728,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.282,19 3.281,20 4.113,21 4.299,22 3.245,23 3.304,24 5.26,25 3.253,26 4.076,27 4.274,28 3.077,29 3.162,30 5.255,31 3.1,32 3.976,33 4.217,34 2.869,35 2.964,36 5.035,37 2.885,38 3.675,39 3.915,40 2.795,41 2.825,42 4.809,43 2.748,44 3.507,45 3.699,46 2.747,47 2.831,48 4.587,49 2.772,50 3.583,51 3.789,52 2.572,53 2.724,54 4.748,55 2.645,56 0.086,57 0.411,58 5.241,59 2.477,60 9.69,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 34.524,67 4.478,68 0.335,69 0.64,70 12.996,71 4.77,72 24.094,73 5.988,74 0.311,75 0.584,76 13.03,77 4.579,78 35.339,79 5.787,80 0.359,81 0.507,82 13.07,83 3.974,84 40.923,85 5.411,86 0.339,87 0.411,88 9.343,89 2.995,90 28.916,91 4.368,92 0.117,93 0.388,94 6.572,95 2.609,96 10.857,97 3.487,98 0.192,99 0.379,100 7.79,101 2.629,102 27.925,103 3.464,104 6,105 23,106 0.32,107 0.699,108 0.83,109 0.856,110 0.856,111 0.856,112 2.905,113 0.862,114 -2.54,115 -2.57,116 -2.51,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 4,181 2,185 1,186 4,191 2,194 2,195 2,198 3,203 2,209 1,210 2,211 1,221 1,222 2,225 1,234 3,247 2,248 1,258 1,259 1,262 1,270 319,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.994,277 10.644,278 7.026,279 11.814,280 8.884,281 8.884,282 8.884,283 8.884,284 8.884,285 6.697,286 9.763,287 3.337,288 9.397,289 3.2,290 1.229,291 0.552,292 0.414,293 0.414,294 0.414,295 3.561,299 1,300 1,301 310,302 2.739,305 53.19,306 59.385,313 1.543,314 18.5,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 149,327 4.165,328 3.576,329 5.929,330 3.777,331 2.785,332 3.756,333 1.437,334 8.227,335 2.758,336 3.921,337 2.887,338 5.364,339 3.462,340 2.548,341 3.479,342 0.86,343 7.02,344 2.326,345 3.695,346 2.625,347 5.285,348 3.299,349 2.354,350 3.036,352 6.761,353 2.21,354 2.817,355 2.029,356 3.814,357 2.406,358 1.465,359 1.848,361 3.161,362 1.364,363 2.691,364 1.568,365 3.579,366 2.226,367 1.251,368 1.73,370 2.839,371 1.202,372 2.5,373 1.168,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.144,382 1,383 3.16,384 1.803,385 0.888,386 1.078,388 1.969,389 0.805,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.215,400 0.476,401 2.508,402 0.896,403 -0.033,404 -0.039,406 -0.078,407 -0.03,408 0.699,409 0.184,410 2,411 0.324,412 -0.621,413 -0.757,415 -1.418,416 -0.573,417 0.5,418 -0.324,419 1.891,421 -1,422 -1.316,424 -2,425 -0.965,426 0.422,427 -0.995,428 1.58,429 -0.01,430 -1,431 -1.5,433 -2.829,434 -1,435 0.036,436 -1,437 1.023,438 -0.312,439 -1.237,440 -1.516,442 -3,443 -1.156,444 -0.118,445 -1.346,446 1,447 -0.68,448 -1.618,449 -1.886,451 -4.249,452 -1.458,453 -0.379,454 -1.618,455 1,456 -0.706,457 -1.621,458 -2.326,460 -4.372,461 -1.495,462 7.8,463 0.459,464 0.332,465 0.02,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.093,473 0.535,474 18.6,475 0.641,476 14.5,477 0.853,478 4.961,479 0.292,480 3.293,481 0.194,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.741,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.482,498 0.937,499 1.029,500 0.959,501 1.084,502 1.087,503 0.751,504 1.099,505 1.168,506 1.134,507 1.157,508 1.234,509 1.121,510 1.21,511 1.063,512 0.872,513 1.005,514 0.915,515 1.012,516 0.947,517 0.329,518 0.791,519 0.673,520 0.716,521 0.229,522 0.763,523 0.632,524 1.159,525 0.914,526 1.093,527 0.547,528 1.072,529 1.06,530 1.194,531 1.222,532 1.16,533 1.419,534 1.221,535 3,536 0.046,537 1.556,538 0.597,539 0.387,540 0.406,541 0.168,542 0.078,543 0.079,544 0.087,545 2673,546 9224,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.558,559 1.925,560 3.137,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.306,571 4.444,572 4.444,573 4.444,574 2.542,575 3.499,576 4.059,577 3.301,578 448.873,579 6.81,580 4269.98,582 1,585 140.881,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.031,592 0.026,593 0.034,594 0.014,595 0.007,596 0.009,597 0.014,598 0.377,599 0.5,600 1,601 0.844,602 72.786,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.098,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.179,614 -0.034,615 -0.096,616 0.006,617 -0.148,618 -0.095,619 -0.022,620 -0.125,621 -0.16,622 -0.233,623 -0.179,624 -0.254,625 -0.114,626 -0.228,627 -0.055,628 -0.012,629 0.051,630 0.031,631 -0.098,632 0.058,633 0.436,634 0.137,635 0.33,636 0.258,637 0.329,638 0.271,639 -0.041,640 -0.115,641 -0.052,642 -0.08,643 -0.02,644 -0.069,645 -0.189,646 -0.231,647 -0.271,648 -0.2,649 -0.288,650 -0.25,651 2.602,652 3.631,653 0.647,654 13.253,655 1.021,656 1.128,657 1.315,658 1.729,659 0.661,660 2.944,661 3.178,662 3.332,663 3.434,664 3.434,665 3.434,666 3.367,667 3.219,668 3.296,669 3.367,670 5.414,671 0.649,672 232.26,673 2.944,674 4.419,675 5.209,676 6.023,677 6.828,678 7.643,679 8.451,680 9.268,681 10.077,682 10.894,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,736 1,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.861,872 1.563,874 1.944,875 1.334,876 0.918,877 3.778,878 7.767,879 3.239,880 3.755,881 4.229,882 4.668,883 4.886,884 4.945,885 5.007,886 4.822,887 5.183,888 5.614,889 0.833,890 19,891 6.222,893 2.542,894 8.059,895 11.512,897 8.811,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.565,950 0.313,951 0.15,952 0.066,953 10,954 4,955 0.167,956 5,958 1,959 3.107,960 105.193,962 11,963 65.487,968 11.674,969 5.501,970 3.326,972 95.614,973 11.633,974 3.921,978 0.919,979 1.908,980 42.683,981 307.65,982 24.5,987 10.631,991 -0.935,994 29.604,995 32.701,996 0.341,997 0.747,998 0.886,999 0.915,1000 0.915,1001 0.915,1002 4.404,1003 0.618,1004 5.142,1005 1.969,1006 3.85,1007 4.437,1008 1.888,1009 5.814,1010 3.75,1011 5.569,1012 -0.033,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.088,1020 6.828,1021 -0.621,1022 8.193,1023 -0.078,1024 5.313,1025 6.515,1026 2.362,1027 9.429,1028 5.127,1029 8.125,1030 -1,1031 9.824,1032 -1.418,1033 5.525,1034 6.915,1036 10.897,1037 5.317,1038 9.451,1039 -1,1040 11.492,1041 -2,1042 7.027,1043 8.84,1044 2.965,1045 13.312,1046 6.78,1047 10.796,1048 -1.237,1049 13.183,1050 -2.829,1051 7.623,1052 9.633,1054 15.109,1055 7.362,1056 12.156,1057 -1.618,1058 14.891,1059 -3,1060 8.864,1061 11.281,1062 3.635,1063 17.321,1064 8.576,1065 2.785,1066 -1.621,1067 16.609,1068 -4.249,1069 9.65,1070 12.28,1072 19.267,1073 9.354,1074 2.548,1075 8.227,1076 18.335,1077 -4.372,1078 10.768,1079 13.785,1080 4.335,1081 21.399,1082 10.454,1083 2.354,1084 7.02,1085 20.067,1086 3.756,1087 11.653,1088 14.901,1090 23.417,1091 11.336,1092 1.465,1093 6.761,1094 21.804,1095 3.479,1096 12.711,1097 16.327,1098 5.05,1099 25.52,1100 12.383,1101 1.251,1102 3.161,1103 23.545,1104 3.036,1105 13.649,1106 17.514,1108 27.575,1109 13.321,1110 1,1111 2.839,1112 25.29,1113 1.848,1114 14.679,1115 18.894,1116 5.77,1117 29.669,1118 14.345,1119 0.888,1120 2.275,1121 27.037,1122 1.73,1123 15.648,1124 20.125,1126 31.743,1127 15.314,1128 2684,1129 5070,1130 12.019,1131 19.182,1132 26.324,1133 26.511,1134 26.202,1135 25.851,1136 25.821,1137 34.705,1138 4.593,1139 67.249,1140 24.484,1141 5.036,1142 5.576,1143 5.587,1144 4.861,1145 4.785,1146 6.756,1147 2.873,1148 13.753,1149 4.758,1150 7.125,1151 1.462,1152 1.473,1153 1.456,1154 1.436,1155 1.434,1156 1.928,1157 0.255,1158 3.736,1159 1.36,1160 3.958,1161 4.007,1162 3.899,1163 3.85,1164 7.475,1165 3.855,1166 3.886,1167 3.92,1168 3.831,1169 3.697,1170 6.351,1171 3.726,1172 3.399,1173 3.432,1174 3.322,1175 3.168,1176 4.962,1177 3.189,1178 3.211,1179 3.221,1180 3.094,1181 2.965,1182 4.815,1183 2.997,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.279,1189 2.715,1190 2.663,1191 2.712,1192 2.543,1193 2.36,1194 3.674,1195 2.397,1196 2.485,1197 2.575,1198 2.277,1199 2.28,1200 3.667,1201 2.278,1202 2.37,1203 2.476,1204 2.177,1205 2.062,1206 3.341,1207 2.07,1208 0.231,1209 0.199,1210 0.329,1211 0.21,1212 0.155,1213 4.165,1214 0.209,1215 3.576,1216 0.08,1217 5.929,1218 0.457,1219 3.777,1220 0.153,1221 2.785,1222 3.756,1223 1.437,1224 8.227,1225 2.758,1226 1.892,1227 1.876,1228 1.994,1229 2.001,1230 1.112,1231 1.997,1232 1.629,1233 1.562,1234 1.825,1235 1.862,1236 1.04,1237 1.853,1238 1.31,1239 1.248,1240 1.5,1241 1.528,1242 0.528,1243 1.521,1244 1.155,1245 1.141,1246 1.336,1247 1.466,1248 0.317,1249 1.41,1250 1.008,1251 0.957,1252 1.181,1253 1.31,1254 0.218,1255 1.281,1256 0.886,1257 0.821,1258 1.175,1259 1.062,1260 0.146,1261 1.107,1262 0.476,1263 0.444,1264 0.85,1265 0.818,1267 0.823,1268 0.26,1269 0.125,1270 0.734,1271 0.622,1273 0.68,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.78,1281 6.26,1282 9.318,1289 8.726,1290 1.226,1292 5.473,1300 18.821,1301 48.087,1302 105.23,1303 124.881,1304 128.881,1305 128.881,1306 128.881,1307 24.205,1308 5.823,1309 64.35,1310 64.35,1311 11,1312 11.479,1313 3.7,1314 2.907,1315 28.801,1316 55,1317 41,1318 0.257,1319 119.105,1320 202.17,1321 282.375,1322 2157,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.254,1330 0.459,1331 0.287,1332 5.066,1333 7.8,1334 4.993,1335 4.136,1336 8.254,1337 5.174,1338 7.106,1339 0.309,1340 0.151,1341 7.106,1342 3.479,1343 5.534,1344 0.205,1345 0.084,1346 5.534,1347 2.279,1348 4.138,1349 0.138,1350 0.046,1351 4.138,1352 1.382,1353 2.64,1354 0.088,1355 0.025,1356 2.64,1357 0.756,1358 0.412,1359 52.699,1360 0.288,1361 17.778,1362 0.67,1363 82,1364 304.911,1365 93.496,1366 286.123,1367 375.74,1368 266,1369 91,1370 262.051,1371 101.724,1372 262.336,1373 374.64,1374 245,1375 7.854} {0 CHEMBL537920,1 1.465,2 8.824,3 2.208,4 4.876,5 68.044,6 6.388,7 0.294,8 3.653,9 3.79,10 3.054,11 3.111,12 4.728,13 3.064,14 4.191,15 4.406,16 3.34,17 3.482,18 5.297,19 3.394,20 4.45,21 4.695,22 3.137,23 3.629,24 5.306,25 3.448,26 4.611,27 4.932,28 3.058,29 3.613,30 5.272,31 3.391,32 4.464,33 4.759,34 3.135,35 3.479,36 5.336,37 3.31,38 4.422,39 4.686,40 2.89,41 3.306,42 5.463,43 3.149,44 4.186,45 4.51,46 2.801,47 3.115,48 5.021,49 2.969,50 3.857,51 4.073,52 2.769,53 3.013,54 4.955,55 2.899,56 0.031,57 0.505,58 8.767,59 3.374,60 8.342,61 4.891,62 0.232,63 0.767,64 15.341,65 5.381,66 40.231,67 8.016,68 0.146,69 0.891,70 19.473,71 7.313,72 30.547,73 10.78,74 0.211,75 0.912,76 22.814,77 7.879,78 38.591,79 12.114,80 0.15,81 0.794,82 19.895,83 6.64,84 30.1,85 10.136,86 0.377,87 0.687,88 20.035,89 5.408,90 68.34,91 8.243,92 0.242,93 0.574,94 15.408,95 4.132,96 33.147,97 6.762,98 0.11,99 0.487,100 10.985,101 3.529,102 23.723,103 5.329,104 25,105 22,106 0.273,107 0.609,108 0.793,109 0.841,110 0.841,111 0.841,112 2.904,113 1.037,114 -3.24,115 -3.23,116 -3.1,118 35.1,119 2,120 3,122 1,124 1,133 2,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 2,191 1,194 7,195 1,198 3,203 1,206 4,207 3,210 5,215 3,218 1,219 1,222 5,227 1,230 1,234 3,239 1,247 3,248 1,258 1,259 1,262 1,270 338,271 10.828,272 10.828,273 10.828,274 10.828,275 10.828,276 9.894,277 11.872,278 6.672,279 11.018,280 8.395,281 8.395,282 8.395,283 8.395,284 8.395,285 6.967,286 9.234,287 3.193,288 8.687,289 3.744,290 1.937,291 0.946,292 0.689,293 0.689,294 0.689,295 3.527,299 1,300 1,301 295,302 3.937,305 57.773,313 1.481,314 14.339,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 37,326 150,327 4.244,328 3.502,329 6.705,330 4.187,331 3.187,332 3.479,333 1.437,334 10.871,335 3.187,336 3.92,337 3.341,338 5.352,339 3.456,340 2.541,341 3.342,343 6.997,344 2.326,345 3.575,346 2.645,347 4.644,348 3.178,349 2.172,350 2.751,352 5.114,353 2.157,354 2.759,355 1.608,356 3.806,357 2.556,358 1.576,359 1.815,361 3.276,362 1.544,363 2.444,364 1.217,365 3.509,366 2.082,367 1.141,368 1.385,370 2.466,371 1.071,372 2.256,373 0.95,374 3.145,375 1.601,376 0.618,377 0.927,379 1.372,380 0.595,381 2.118,382 0.618,383 3,384 1.554,385 0.601,386 0.893,388 1.345,389 0.577,390 1.419,391 0.444,392 2.77,393 1.274,394 0.293,395 0.326,397 0.651,398 0.286,399 0.522,400 0.295,401 2.2,402 0.314,403 -0.65,404 -0.695,406 -1.606,407 -0.623,408 0.444,409 -0.527,410 2,411 0.077,412 -1,413 -1,415 -2,416 -0.905,418 -0.648,419 2,421 -1,422 -1,424 -2.974,425 -1,427 -1,428 1.294,429 -0.086,430 -1,431 -1.431,433 -2.976,434 -1.07,435 -0.077,436 -1.267,437 1,438 -0.371,439 -1.328,440 -1.488,442 -3,443 -1.272,444 -0.118,445 -1.584,446 1,447 -0.699,448 -1.618,449 -1.863,451 -4.372,452 -1.476,453 -0.483,454 -1.618,455 0.813,456 -0.724,457 -1.694,458 -2.427,460 -4.58,461 -1.637,462 7.967,463 0.469,464 0.505,465 0.03,466 17.25,467 1.015,468 7,469 0.412,470 10.25,471 0.603,472 14.742,473 0.867,474 20.233,475 0.547,476 10.187,477 0.599,478 3.198,479 0.188,480 4.796,481 0.282,482 0.209,483 0.063,484 0.113,487 0.813,488 1.612,489 0.971,490 1.358,491 0.736,492 1.214,493 0.557,494 1.067,495 0.928,496 1.056,497 0.313,498 1.037,499 0.667,500 1.258,501 1.193,502 1.366,503 0.643,504 1.365,505 0.459,506 0.858,507 0.798,508 0.918,509 0.459,510 0.911,511 0.613,512 1.014,513 0.805,514 1.059,515 0.574,516 0.972,517 1.934,518 0.96,519 1.311,520 0.93,521 2.146,522 1.032,523 1.088,524 0.539,525 0.801,526 0.501,527 0.91,528 0.575,529 1.225,530 1.431,531 1.219,532 1.328,533 1.311,534 1.289,535 4.5,536 0.046,537 1.556,538 0.722,539 0.685,540 0.191,541 0.26,542 0.178,543 0.094,544 0.065,545 2424,546 7075,547 1.856,548 54.1,549 10,550 4,551 1,552 2,553 1,555 2,558 1.561,559 1.714,560 3.126,561 -0.256,563 1,564 1,565 1,567 54.205,568 1.465,569 3.272,570 4.263,571 4.52,572 4.52,573 4.52,574 2.514,575 3.175,576 4.06,577 3.32,578 451.551,579 6.823,580 4400.92,581 1,582 1,584 1,585 192.75,586 1.545,587 3.984,588 0.265,589 0.008,590 0.071,591 0.045,592 0.046,593 0.012,594 0.024,595 0.015,596 0.009,597 0.011,598 0.504,599 0.67,600 1,601 2.655,602 73.271,603 -0.045,604 -0.267,605 0.01,606 -0.099,607 -0.055,608 -0.05,609 0.192,610 0.125,611 0.039,612 0.043,613 0.31,614 0.024,615 -0.073,616 -0.195,617 -0.281,618 -0.274,619 -0.047,620 -0.306,621 0.051,622 0.024,623 0.092,624 0.045,625 0.013,626 0.072,627 0.075,628 -0.096,629 0.118,630 -0.084,631 0.104,632 0.015,633 -0.329,634 -0.105,635 -0.263,636 -0.039,637 -0.363,638 -0.138,639 -0.106,640 0.337,641 0.176,642 0.339,643 -0.045,644 0.315,645 -0.15,646 -0.356,647 -0.226,648 -0.276,649 -0.189,650 -0.272,651 2.545,652 3.434,653 0.294,654 13.038,655 0.995,656 1.139,657 2.007,658 4.027,659 0.615,660 2.89,661 3.135,662 3.091,663 3.135,664 3.045,665 2.773,666 2.833,667 2.773,668 2.708,669 2.708,670 5.522,671 0.573,672 236.35,673 2.89,674 4.369,675 5.106,676 5.927,677 6.686,678 7.504,679 8.274,680 9.088,681 9.864,682 10.677,683 5.4,691 1,693 1,699 3,700 1,705 1,706 5,724 37,726 7,728 17,730 37,731 13,733 3,736 3,739 1,740 1,745 2,746 1,751 3,753 6,754 7,756 2,761 1,763 2,765 1,769 1,772 20,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 2,830 1,832 1,836 2,840 17,845 1,846 4,852 1,862 5.4,864 1,865 1,869 9.917,870 6.933,871 3.833,872 2.222,874 1.125,875 1.21,876 0.855,877 5.266,878 6.481,879 3.114,880 3.534,881 3.815,882 4.087,883 3.939,884 3.647,885 3.723,886 3.815,887 3.958,888 4.275,889 0.833,890 16,891 6.255,893 2.446,894 7.907,895 11.955,897 9.178,899 2.407,900 40.917,901 0.002,904 223.651,905 73.936,906 18.685,908 67.828,911 73.936,912 291.479,913 18.685,914 17.65,915 9.709,916 28,917 117.684,918 10.947,919 11.771,920 188.338,922 223.651,923 92.62,924 67.828,927 200.109,928 91.37,931 46.925,932 9.957,933 35.738,935 223.651,936 86.513,937 73.936,940 223.651,941 10.619,942 65.215,944 84.614,945 223.651,946 86.513,947 73.936,949 0.568,950 0.272,951 0.123,952 0.064,953 8,954 4,955 0.189,956 7,958 1,959 3.001,960 97.356,962 5,963 67.487,968 13.817,969 6.479,970 6.15,972 84.614,973 5.546,974 3.985,979 2.056,980 42.683,981 384.099,982 21.5,987 10.434,989 3.002,991 -0.878,994 36.811,995 42.152,996 0.281,997 0.628,998 0.818,999 0.868,1000 0.868,1001 0.868,1002 4.307,1003 0.293,1004 5.118,1005 1.345,1006 3.807,1007 4.212,1008 1.635,1009 5.844,1010 3.748,1011 5.488,1012 -0.65,1013 6.64,1014 0.651,1015 3.611,1016 3.922,1018 7.125,1019 3.559,1020 6.768,1021 -1,1022 8.286,1023 -1.606,1024 5.416,1025 6.18,1026 2.253,1027 9.899,1028 5.324,1029 8.083,1030 -1,1031 10.011,1032 -2,1033 6.019,1034 6.671,1036 11.978,1037 5.946,1038 9.429,1039 -1,1040 11.788,1041 -2.974,1042 7.373,1043 8.393,1044 2.922,1045 14.433,1046 7.279,1047 10.793,1048 -1.328,1049 13.6,1050 -2.976,1051 8.295,1052 9.232,1054 16.734,1055 8.223,1056 12.172,1057 -1.618,1058 15.437,1059 -3,1060 9.505,1061 10.715,1062 3.619,1063 19.129,1064 9.426,1065 3.187,1066 -1.694,1067 17.29,1068 -4.372,1069 10.56,1070 11.732,1072 21.49,1073 10.498,1074 2.541,1075 10.871,1076 19.156,1077 -4.58,1078 11.725,1079 13.095,1080 4.33,1081 23.876,1082 11.665,1083 2.172,1084 6.997,1085 21.03,1086 3.479,1087 12.835,1088 14.209,1090 26.254,1091 12.788,1092 1.576,1093 5.114,1094 22.911,1095 3.342,1096 13.989,1097 15.51,1098 5.047,1099 28.639,1100 13.945,1101 1.141,1102 3.276,1103 24.797,1104 2.751,1105 15.124,1106 16.677,1108 31.022,1109 15.089,1110 0.618,1111 2.466,1112 26.687,1113 1.815,1114 16.276,1115 17.946,1116 5.769,1117 33.407,1118 16.245,1119 0.601,1120 1.372,1121 28.579,1122 1.385,1123 17.422,1124 19.142,1126 35.792,1127 17.398,1128 2590,1129 4500,1130 10.515,1131 22.773,1132 25.231,1133 24.646,1134 24.449,1135 24.249,1136 24.259,1137 29.835,1138 2.873,1139 64.183,1140 23.485,1141 5.16,1142 5.415,1143 6.397,1144 5.214,1145 5.172,1146 6.064,1147 2.873,1148 16.618,1149 5.128,1150 9.781,1151 1.484,1152 1.45,1153 1.438,1154 1.426,1155 1.427,1156 1.755,1157 0.169,1158 3.775,1159 1.381,1160 3.948,1161 4.015,1162 3.872,1163 3.791,1164 7.476,1165 3.792,1166 3.828,1167 3.876,1168 3.731,1169 3.68,1170 6.351,1171 3.695,1172 3.523,1173 3.568,1174 3.412,1175 3.36,1176 4.953,1177 3.358,1178 3.362,1179 3.407,1180 3.207,1181 3.156,1182 4.422,1183 3.163,1184 2.944,1185 3.051,1186 2.702,1187 2.734,1188 4.005,1189 2.708,1190 2.874,1191 3.009,1192 2.575,1193 2.618,1194 3.802,1195 2.57,1196 2.762,1197 2.805,1198 2.499,1199 2.42,1200 3.532,1201 2.465,1202 2.5,1203 2.607,1204 2.271,1205 2.305,1206 3.467,1207 2.285,1208 0.25,1209 0.206,1210 0.394,1211 0.246,1212 0.187,1213 4.244,1214 0.205,1215 3.502,1216 0.085,1217 6.705,1218 0.639,1219 4.187,1220 0.187,1221 3.187,1222 3.479,1223 1.437,1224 10.871,1225 3.187,1226 1.861,1227 1.815,1228 2.064,1229 1.999,1230 1.39,1231 2.023,1232 1.664,1233 1.602,1234 1.879,1235 1.866,1236 1.131,1237 1.87,1238 1.394,1239 1.351,1240 1.597,1241 1.624,1242 0.762,1243 1.607,1244 1.308,1245 1.251,1246 1.532,1247 1.531,1248 0.513,1249 1.532,1250 1.237,1251 1.159,1252 1.461,1253 1.501,1254 0.476,1255 1.499,1256 0.934,1257 0.804,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.855,1263 0.75,1264 1.234,1265 1.124,1266 0.307,1267 1.174,1268 0.615,1269 0.584,1270 0.927,1271 1.017,1272 0.08,1273 0.992,1274 3.555,1276 4.812,1277 2.398,1278 6.209,1279 4.443,1280 7.668,1281 6.26,1282 9.165,1284 4.118,1289 8.576,1290 4.125,1296 -0.048,1300 21.214,1301 54.205,1302 121.082,1303 157.73,1304 167.24,1305 167.24,1306 167.24,1307 36.067,1308 5.357,1309 55.12,1310 55.12,1311 5,1312 11.272,1313 3,1314 2.459,1315 38.463,1316 56,1317 43,1318 0.334,1319 137.949,1320 239.22,1321 328.355,1322 1112,1324 12.726,1325 0.749,1326 0.616,1327 12.726,1328 10.465,1329 7.995,1330 0.47,1331 0.346,1332 5.8,1333 7.669,1334 5.563,1335 4.729,1336 7.995,1337 5.874,1338 7.493,1339 0.341,1340 0.224,1341 7.493,1342 4.918,1343 4.589,1344 0.219,1345 0.13,1346 4.589,1347 2.724,1348 3.14,1349 0.143,1350 0.076,1351 3.14,1352 1.674,1353 2.169,1354 0.108,1355 0.051,1356 2.169,1357 1.015,1358 0.539,1359 50.236,1360 0.308,1361 17.887,1362 0.869,1363 78,1364 233.175,1365 85.953,1366 224.797,1367 288.12,1368 206,1369 82,1370 195.596,1371 88.682,1372 200.602,1373 277.66,1374 184,1375 7.276} {0 CHEMBL537923,1 1.663,2 8.737,3 2.3,4 5.292,5 76.719,6 7.897,7 0.55,8 3.637,9 3.744,10 3.304,11 3.227,12 4.795,13 3.167,14 4.132,15 4.298,16 3.735,17 3.645,18 5.311,19 3.538,20 4.342,21 4.492,22 3.702,23 3.754,24 5.46,25 3.59,26 4.464,27 4.702,28 3.35,29 3.608,30 5.51,31 3.464,32 4.228,33 4.452,34 3.349,35 3.527,36 5.29,37 3.405,38 4.269,39 4.508,40 3.164,41 3.402,42 5.345,43 3.242,44 3.954,45 4.238,46 2.86,47 3.026,48 4.861,49 2.838,50 3.409,51 3.593,52 2.81,53 2.749,54 4.348,55 2.594,56 0.029,57 0.499,58 7.335,59 3.462,60 8.268,61 4.168,62 0.223,63 0.816,64 14.807,65 5.96,66 39.092,67 7.118,68 0.148,69 0.965,70 25.523,71 8.961,72 19.57,73 9.623,74 0.381,75 0.934,76 24.404,77 7.999,78 63.776,79 9.697,80 0.086,81 0.789,82 15.133,83 6.338,84 19.89,85 8.536,86 0.193,87 0.785,88 19.221,89 6.607,90 36.769,91 8.514,92 0.182,93 0.547,94 14.508,95 4.865,96 31.582,97 6.249,98 0.043,99 0.382,100 9.306,101 3.053,102 7.568,103 3.583,104 20,105 28,106 0.308,107 0.665,108 0.782,109 0.803,110 0.803,111 0.803,112 3.009,113 1.014,114 -3.6,115 -3.57,116 -3.4,118 40,119 2,124 1,129 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 1,175 1,180 9,181 3,186 5,191 3,194 4,198 3,206 5,207 2,210 4,215 2,218 4,219 2,222 5,227 2,229 2,230 1,234 1,239 1,247 3,248 1,258 1,262 1,270 382,271 12.248,272 12.248,273 12.248,274 12.248,275 12.248,276 10.734,277 13.48,278 7.183,279 12.62,280 9.855,281 9.855,282 9.855,283 9.855,284 9.855,285 7.668,286 17.35,287 3.415,288 10.494,289 3.466,290 1.533,291 0.9,292 0.786,293 0.786,294 0.786,295 3.658,298 1,299 1,300 1,301 341,302 3.536,305 60.592,306 66.827,313 1.673,314 16.391,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 166,327 4.438,328 4.944,329 7.224,330 4.282,331 3.352,332 3.721,333 3.412,334 12.052,335 3.098,336 4.07,337 3.733,338 5.618,339 3.675,340 2.714,341 3.531,342 2.114,343 7.783,344 2.616,345 3.849,346 2.996,347 5.336,348 3.362,349 2.432,350 3.387,351 0.522,352 6.86,353 2.246,354 3.394,355 2.868,356 4.971,357 2.975,358 2.029,359 2.686,361 5.851,362 1.895,363 2.767,364 2.308,365 4.242,366 2.335,367 1.351,368 1.711,370 3.198,371 1.289,372 2.583,373 1.31,374 3.428,375 2.086,376 1.163,377 1.609,379 2.564,380 1.07,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.118,391 0.996,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.448,400 0.618,401 3,402 1.116,403 0.2,404 0.238,406 0.508,407 0.178,408 0.82,409 0.598,410 2.631,411 0.51,412 -0.38,413 -0.443,415 -1.128,416 -0.335,417 0.5,418 0.301,419 2,421 -0.947,422 -1,424 -2,425 -0.857,426 0.453,427 -0.078,428 2,430 -1,431 -1.162,433 -2.462,434 -0.961,435 0.348,436 -0.888,437 2,439 -1,440 -1.29,442 -3,443 -1,445 -0.961,446 1.861,447 -0.025,448 -1,449 -1.5,451 -3,452 -1,453 -0.114,454 -1,455 1.397,456 -0.542,457 -1.491,458 -1.724,460 -3.476,461 -1.33,462 9.3,463 0.489,464 0.615,465 0.032,466 23.75,467 1.25,468 12,469 0.632,470 11.75,471 0.618,472 14.723,473 0.775,474 20.7,475 0.591,476 14.99,477 0.789,478 4.535,479 0.239,480 4.436,481 0.233,482 0.179,483 0.054,484 0.204,487 0.804,488 1.259,489 0.766,490 0.953,491 0.745,492 0.947,493 0.584,494 0.797,495 0.852,496 0.78,497 0.408,498 0.787,499 0.807,500 1.488,501 1.796,502 1.881,503 0.812,504 1.467,505 1.483,506 0.776,507 1.09,508 0.826,509 1.557,510 0.901,511 0.542,512 1.027,513 0.647,514 0.909,515 0.489,516 1.025,517 0.973,518 1.114,519 0.997,520 1.111,521 1.034,522 1.137,523 1.027,524 0.725,525 0.735,526 0.668,527 1.087,528 0.764,529 0.699,530 1.676,531 1.443,532 1.658,533 0.634,534 1.307,535 5.5,536 0.086,537 2.222,538 0.972,539 0.897,540 0.368,541 0.393,542 0.195,543 0.13,544 0.135,545 3291,546 10362,547 1.952,548 45.7,550 6,551 1,552 2,553 1,555 6,558 1.596,559 1.795,560 3.116,561 -0.249,563 1,565 1,567 58.222,568 1.663,569 3.596,570 4.229,571 4.343,572 4.343,573 4.343,574 2.479,575 3.616,576 4.219,577 3.298,578 563.901,579 7.153,580 5715.22,581 1,582 1,584 1,585 179.525,586 1.657,587 4.146,588 0.275,589 0.009,590 0.079,591 0.041,592 0.045,593 0.018,594 0.026,595 0.02,596 0.014,597 0.014,598 0.54,599 0.5,600 1,601 1.368,602 83.829,603 -0.066,604 -0.14,605 0.053,606 0.028,607 -0.095,608 0.009,609 0.174,610 0.335,611 0.181,612 0.286,613 0.216,614 0.188,615 -0.022,616 -0.391,617 -0.355,618 -0.521,619 -0.01,620 -0.416,621 -0.267,622 0.131,623 -0.132,624 0.111,625 -0.248,626 0.059,627 0.054,628 -0.104,629 0.057,630 -0.063,631 0.091,632 -0.037,633 -0.052,634 -0.215,635 -0.089,636 -0.183,637 -0.062,638 -0.156,639 -0.049,640 0.133,641 0.215,642 0.247,643 -0.067,644 0.228,645 0.061,646 -0.591,647 -0.079,648 -0.404,649 0.009,650 -0.283,651 2.472,652 4.073,653 0.579,654 15.374,655 1.003,656 1.121,657 2.37,658 5.617,659 0.683,660 3.045,661 3.367,662 3.497,663 3.584,664 3.664,665 3.611,666 3.761,667 3.807,668 3.714,669 3.611,670 5.457,671 0.638,672 276.39,673 3.045,674 4.575,675 5.38,676 6.236,677 7.062,678 7.916,679 8.748,680 9.601,681 10.436,682 11.288,683 5.7,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 35,726 12,727 1,728 20,730 36,731 14,733 9,734 2,735 4,739 2,740 2,745 2,753 10,754 4,755 1,756 1,761 1,765 1,768 1,769 1,772 16,773 3,774 1,775 5,776 1,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,833 1,834 1,836 2,840 19,845 1,846 1,849 1,852 1,862 5.7,864 1,865 1,869 10.583,870 6.767,871 4.125,872 1.896,874 1.973,875 1.326,876 0.899,877 4.201,878 8.03,879 3.314,880 3.866,881 4.285,882 4.713,883 5.033,884 5.134,885 5.524,886 5.859,887 6.013,888 6.157,889 0.833,890 24,891 6.999,893 2.904,894 7.899,895 13.208,897 10.517,899 2.399,900 45.583,901 0.001,904 176.567,905 122.24,906 18.685,908 67.828,910 32.22,911 90.021,912 244.395,913 18.685,914 17.65,915 2.106,916 46.952,917 117.684,918 15.683,919 11.771,920 173.473,922 176.567,923 108.705,924 67.828,925 32.22,927 105.94,928 138.455,931 39.321,932 52.599,933 16.786,934 32.22,935 176.567,936 86.513,937 122.24,940 176.567,941 39.971,942 84.168,944 84.614,945 176.567,946 86.513,947 122.24,949 0.592,950 0.326,951 0.139,952 0.068,953 13,954 6,955 0.139,956 5,958 1,959 3.144,960 128.597,962 11,963 74.711,964 1,968 14.003,969 5.699,970 3.771,972 84.614,973 13.385,974 3.997,978 2.122,979 1.989,980 42.683,981 385.32,982 26.5,987 11.073,991 -0.806,994 35.12,995 39.242,996 0.324,997 0.701,998 0.824,999 0.847,1000 0.847,1001 0.847,1002 4.541,1003 0.618,1004 5.416,1005 2.275,1006 4.043,1007 4.549,1008 3.451,1009 6.229,1010 3.92,1011 5.762,1012 0.2,1013 6.999,1014 1.372,1015 3.892,1016 4.35,1017 2.243,1018 7.503,1019 3.687,1020 7.076,1021 -0.38,1022 8.702,1023 0.508,1024 5.72,1025 6.65,1026 5.652,1027 10.429,1028 5.46,1029 8.425,1030 -0.947,1031 10.483,1032 -1.128,1033 6.365,1034 7.187,1035 4.491,1036 12.52,1037 6.012,1038 9.801,1039 -1,1040 12.314,1041 -2,1042 7.749,1043 8.988,1044 8.019,1045 15.103,1046 7.342,1047 11.197,1048 -1,1049 14.182,1050 -2.462,1051 8.715,1052 9.851,1053 6.946,1054 17.465,1055 8.212,1056 12.608,1057 -1,1058 16.077,1059 -3,1060 9.959,1061 11.429,1062 10.428,1063 19.973,1064 9.395,1065 3.352,1066 -1.491,1067 17.992,1068 -3,1069 11.058,1070 12.461,1071 9.511,1072 22.422,1073 10.401,1074 2.714,1075 12.052,1076 19.922,1077 -3.476,1078 12.263,1079 13.923,1080 12.853,1081 24.914,1082 11.535,1083 2.432,1084 7.783,1085 21.864,1086 3.721,1087 13.419,1088 15.051,1089 12.101,1090 27.39,1091 12.601,1092 2.029,1093 6.86,1094 23.814,1095 3.531,1096 14.616,1097 16.448,1098 15.283,1099 29.879,1100 13.722,1101 1.351,1102 5.851,1103 25.771,1104 3.387,1105 15.798,1106 17.635,1107 14.686,1108 32.364,1109 14.817,1110 1.163,1111 3.198,1112 27.733,1113 2.686,1114 16.996,1115 18.993,1116 17.715,1117 34.853,1118 15.935,1119 1,1120 2.564,1121 29.698,1122 1.711,1123 18.19,1124 20.217,1125 17.255,1126 37.34,1127 17.045,1128 3361,1129 6038,1130 12.712,1131 23.898,1132 30.483,1133 31.822,1134 30.07,1135 29.755,1136 29.716,1137 38.62,1138 12.095,1139 84.927,1140 27.94,1141 5.265,1142 6.944,1143 6.839,1144 5.397,1145 5.352,1146 6.721,1147 6.739,1148 18.92,1149 5.098,1150 10.457,1151 1.524,1152 1.591,1153 1.503,1154 1.488,1155 1.486,1156 1.931,1157 0.605,1158 4.246,1159 1.397,1160 3.993,1161 4.041,1162 4.068,1163 3.921,1164 7.473,1165 3.901,1166 3.816,1167 3.855,1168 3.857,1169 3.67,1170 6.351,1171 3.676,1172 3.673,1173 3.703,1174 3.631,1175 3.553,1176 4.962,1177 3.542,1178 3.075,1179 3.131,1180 3.148,1181 2.972,1182 4.696,1183 2.942,1184 3.026,1185 3.047,1186 2.859,1187 2.735,1188 4.126,1189 2.715,1190 2.874,1191 3.009,1192 2.687,1193 2.637,1194 3.771,1195 2.699,1196 2.854,1197 2.925,1198 2.612,1199 2.618,1200 3.674,1201 2.57,1202 2.544,1203 2.616,1204 2.499,1205 2.429,1206 3.467,1207 2.374,1208 0.222,1209 0.247,1210 0.361,1211 0.214,1212 0.168,1213 4.438,1214 0.186,1215 4.944,1216 0.171,1217 7.224,1218 0.603,1219 4.282,1220 0.155,1221 3.352,1222 3.721,1223 3.412,1224 12.052,1225 3.098,1226 1.923,1227 1.901,1228 2.018,1229 2.005,1230 1.203,1231 2.02,1232 1.659,1233 1.627,1234 1.85,1235 1.825,1236 1.067,1237 1.842,1238 1.49,1239 1.427,1240 1.655,1241 1.699,1242 0.793,1243 1.693,1244 1.292,1245 1.223,1246 1.467,1247 1.525,1248 0.469,1249 1.512,1250 0.934,1251 0.857,1252 1.417,1253 1.276,1254 0.44,1255 1.308,1256 0.906,1257 0.821,1258 1.181,1259 1.239,1260 0.222,1261 1.207,1262 0.886,1263 0.817,1264 1.141,1265 1.066,1266 0.218,1267 1.107,1268 0.83,1269 0.804,1270 1.035,1271 1.062,1273 1.107,1274 3.714,1276 5.03,1277 2.398,1278 6.518,1279 4.443,1280 8.076,1281 6.26,1282 9.67,1284 3.415,1289 9.097,1290 0.771,1293 1.352,1296 -0.814,1300 22.347,1301 58.222,1302 125.873,1303 148.015,1304 152.015,1305 152.015,1306 152.015,1307 34.707,1308 6.057,1309 55.12,1310 80.42,1311 11,1312 11.848,1313 3.7,1314 2.907,1315 33.928,1316 64,1317 47,1318 0.273,1319 145.424,1320 246.49,1321 346.595,1322 2736,1324 13.88,1325 0.731,1326 0.617,1327 14.234,1328 11.723,1329 8.971,1330 0.449,1331 0.338,1332 5.941,1333 8.159,1334 5.617,1335 4.711,1336 9.352,1337 6.76,1338 8.62,1339 0.308,1340 0.232,1341 9.467,1342 6.493,1343 6.485,1344 0.203,1345 0.123,1346 7.301,1347 3.929,1348 4.368,1349 0.125,1350 0.073,1351 5.078,1352 2.541,1353 3.151,1354 0.083,1355 0.043,1356 3.806,1357 1.644,1358 0.431,1359 59.903,1360 0.28,1361 19.338,1362 0.738,1363 96,1364 290.036,1365 132.916,1366 302.832,1367 400.7,1368 280,1369 108,1370 267.339,1371 139.001,1372 290.271,1373 414.26,1374 269,1375 7.022} {0 CHEMBL537925,1 1.422,2 8.8,3 2.6,4 6.758,5 58.214,6 6.478,7 0.4,8 3.505,9 3.632,10 2.915,11 3.017,12 4.581,13 2.963,14 4.033,15 4.231,16 3.119,17 3.35,18 5.141,19 3.236,20 4.315,21 4.586,22 2.971,23 3.422,24 5.152,25 3.248,26 4.251,27 4.537,28 2.786,29 3.306,30 5.028,31 3.104,32 4.156,33 4.453,34 2.691,35 3.165,36 4.959,37 2.975,38 3.984,39 4.267,40 2.593,41 3.011,42 4.853,43 2.84,44 3.816,45 4.088,46 2.485,47 2.845,48 4.753,49 2.694,50 3.614,51 3.87,52 2.365,53 2.646,54 4.657,55 2.522,56 0.028,57 0.42,58 7.358,59 3.181,60 6.361,61 4.34,62 0.16,63 0.645,64 12.798,65 5.043,66 33.611,67 7.214,68 0.181,69 0.74,70 17.21,71 6.221,72 34.028,73 9.065,74 0.151,75 0.669,76 16.056,77 5.877,78 30.222,79 8.595,80 0.166,81 0.595,82 14.737,83 5.004,84 30.639,85 7.466,86 0.148,87 0.504,88 12.442,89 4.138,90 27.5,91 6.146,92 0.136,93 0.424,94 10.562,95 3.392,96 25.278,97 5.029,98 0.124,99 0.344,100 8.682,101 2.646,102 21.778,103 3.913,104 12,105 17,106 0.275,107 0.574,108 0.701,109 0.786,110 0.822,111 0.846,112 2.788,113 1.079,114 -2.96,115 -2.96,116 -2.86,118 37.5,120 6,140 2,141 1,143 2,154 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 8,181 1,186 2,191 1,194 6,195 1,198 2,203 1,206 5,207 1,210 2,215 1,218 4,219 1,222 2,227 1,229 3,230 1,234 2,239 1,242 2,243 1,247 2,252 1,256 2,259 3,264 2,270 237,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9.129,277 6.78,278 6.652,279 10.166,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 6.085,286 3.363,287 3.241,288 7.555,289 3.578,290 2.032,291 1.375,292 0.938,293 0.75,294 0.625,295 3.419,299 1,300 1,301 260,302 3.082,306 56.197,313 1.44,314 13.39,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 32.5,326 132,327 3.896,328 3.596,329 5.34,330 3.516,331 2.522,332 3.444,333 2.341,334 6.965,335 2.508,336 3.55,337 2.718,338 4.659,339 3.24,340 2.234,341 2.71,343 5.184,344 2.222,345 2.961,346 1.801,347 3.785,348 2.723,349 1.732,350 2.119,352 3.518,353 1.715,354 2.702,355 1.576,356 3.563,357 2.419,358 1.466,359 1.707,361 3.048,362 1.391,363 2.5,364 1.189,365 3.247,366 1.992,367 1,368 1.5,370 2.136,371 0.987,372 2.12,373 1,374 3.098,375 1.984,376 1,377 1.079,379 2.06,380 0.983,381 1.417,382 0.679,383 2.508,384 1.283,385 0.285,386 0.308,388 0.603,389 0.283,390 0.845,391 0.318,392 1.913,393 0.61,394 -0.387,395 -0.429,397 -0.844,398 -0.381,399 0.514,400 -0.12,401 1.555,402 0.152,403 -0.852,404 -0.982,406 -1.794,407 -0.83,408 0.5,409 -0.649,410 1.341,411 -0.018,412 -1,413 -1.324,415 -2,416 -0.946,417 0.293,418 -1,419 1,420 -0.049,421 -1,422 -1.5,424 -2.347,425 -0.981,426 -0.213,427 -1.136,428 1,429 -0.333,430 -1.322,431 -1.58,433 -2.968,434 -1.329,435 -0.5,436 -1.5,437 0.621,438 -0.736,439 -1.732,440 -1.929,442 -4.127,443 -1.736,444 -0.663,445 -1.852,446 0.198,447 -0.948,448 -1.948,449 -2.123,450 -0.757,451 -4.644,452 -1.936,453 -0.921,454 -2,455 0.172,456 -1.035,457 -2,458 -3,459 -1.584,460 -4.789,461 -1.948,462 7.067,463 0.471,464 0.212,465 0.014,466 16,467 1.067,468 7.5,469 0.5,470 8.5,471 0.567,472 11.057,473 0.737,474 17.533,475 0.548,476 8.354,477 0.557,478 2.962,479 0.197,480 4.326,481 0.288,482 0.094,484 0.142,487 0.765,488 1.335,489 0.957,490 1.232,491 0.691,492 1.142,493 0.435,494 1.295,495 1.026,496 1.292,497 0.36,498 1.252,499 0.819,500 0.955,501 1.006,502 1,503 0.837,504 1.03,505 0.687,506 1,507 0.953,508 1.046,509 0.73,510 1.049,511 0.816,512 0.877,513 0.92,514 0.904,515 0.821,516 0.925,517 0.969,518 0.912,519 0.983,520 0.929,521 0.983,522 0.954,523 1.147,524 0.921,525 1.03,526 0.923,527 1.174,528 0.952,529 1.414,530 0.936,531 1.1,532 0.915,533 1.427,534 0.95,535 2,536 0.037,537 0.667,538 0.313,539 0.231,540 0.146,541 0.101,542 0.043,543 0.082,544 0.066,545 1841,546 5545,547 1.925,548 53.1,549 10,550 2,552 2,553 1,554 2,558 1.516,559 1.837,560 3.161,561 -0.265,563 1,565 1,567 45.494,568 1.422,569 2.968,570 3.625,571 4.063,572 4.25,573 4.375,574 2.556,575 3.24,576 3.88,577 3.304,578 346.888,579 6.432,580 3126.08,582 1,585 160,586 1.103,587 3.857,588 0.133,589 0.007,590 0.039,591 0.022,592 0.021,593 0.015,594 0.011,595 0.005,596 0.012,597 0.009,598 0.276,599 0.83,600 1,601 2.471,602 62.289,603 -0.055,604 -0.066,605 -0.01,606 -0.003,607 -0.021,608 -0.002,609 0.206,610 -0.161,611 -0.1,612 -0.185,613 0.248,614 -0.187,615 -0.069,617 -0.075,618 -0.013,619 -0.071,620 -0.041,621 -0.012,622 -0.092,623 -0.039,624 -0.069,625 -0.039,626 -0.062,627 -0.039,628 0.022,629 0.014,630 0.03,631 -0.055,632 0.031,633 -0.078,634 0.006,635 -0.03,636 0.007,637 -0.098,638 -0.002,639 -0.117,640 0.006,641 -0.055,642 0.005,643 -0.146,644 -0.012,645 -0.177,646 0.007,647 -0.092,648 0.002,649 -0.183,650 -0.026,651 2.357,652 3.247,653 0.4,654 10.853,655 0.995,656 1.132,657 1.731,658 2.996,659 0.625,660 2.773,661 2.89,662 2.89,663 2.944,664 2.996,665 2.708,666 2.639,667 2.565,668 2.565,669 2.398,670 5.441,671 0.583,672 207.3,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.879,680 8.641,681 9.387,682 10.15,683 3.1,693 1,699 4,700 1,704 1,706 6,724 32,726 7,728 15,730 32,731 12,733 5,739 1,740 1,751 6,753 6,754 6,756 1,761 1,765 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 15,845 1,846 6,862 6.3,864 1,865 1,869 8.167,870 5.4,871 3.583,872 2.114,874 1.172,875 1.225,876 0.876,877 5.642,878 6.37,879 2.996,880 3.35,881 3.604,882 3.963,883 4.343,884 3.819,885 3.797,886 3.774,887 3.841,888 3.841,889 0.833,890 14,891 5.527,892 -0.001,893 2.143,894 7.922,895 10.64,897 8.119,898 -0.001,899 2.422,900 36.333,901 0.004,904 188.338,905 56.35,906 16.786,908 67.828,911 56.35,912 256.166,913 16.786,915 15.207,916 18.952,917 109.066,918 21.28,920 164.795,922 188.338,923 73.136,924 67.828,927 188.338,928 67.828,931 33.302,932 23.048,933 16.786,935 188.338,936 84.614,937 56.35,940 188.338,941 19.303,942 37.047,944 84.614,945 188.338,946 84.614,947 56.35,949 0.532,950 0.26,951 0.127,952 0.066,953 5,954 2,955 0.219,956 7,958 1,959 2.924,960 77.557,962 6,963 54.603,968 11.865,969 7.133,970 5.974,972 84.614,973 7.661,974 3.957,978 1.309,980 42.683,981 329.301,982 19,987 10.247,991 -0.691,994 31.825,995 36.239,996 0.284,997 0.594,998 0.725,999 0.813,1000 0.85,1001 0.875,1002 4.103,1003 -0.387,1004 4.745,1005 0.603,1006 3.555,1007 4.025,1008 2.258,1009 5.252,1010 3.53,1011 5.183,1012 -0.852,1013 6.107,1014 -0.844,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.372,1021 -1,1022 7.56,1023 -1.794,1024 4.844,1025 5.89,1026 3.628,1027 8.47,1028 4.805,1029 7.591,1030 -1,1031 9.068,1032 -2,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.595,1038 8.841,1039 -1.322,1040 10.616,1041 -2.347,1042 6.354,1043 8.039,1044 5.201,1045 12.01,1046 6.304,1047 10.111,1048 -1.732,1049 12.192,1050 -2.968,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.526,1056 11.397,1057 -1.948,1058 13.789,1059 -4.127,1060 7.979,1061 10.324,1062 6.849,1063 15.714,1064 7.919,1065 2.522,1066 -2,1067 15.402,1068 -4.644,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.401,1074 2.234,1075 6.965,1076 17.027,1077 -4.789,1078 9.673,1079 12.677,1080 8.526,1081 19.505,1082 9.604,1083 1.732,1084 5.184,1085 18.662,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.247,1092 1.466,1093 3.518,1094 20.303,1095 2.71,1096 11.412,1097 15.067,1098 10.216,1099 23.34,1100 11.335,1101 1,1102 3.048,1103 21.95,1104 2.119,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.079,1110 1,1111 2.136,1112 23.602,1113 1.707,1114 13.182,1115 17.481,1116 11.912,1117 27.198,1118 13.097,1119 0.285,1120 2.06,1121 25.257,1122 1.5,1123 13.981,1124 18.446,1125 12.755,1126 29.119,1127 13.905,1128 1963,1129 3465,1130 9.822,1131 20.006,1132 20.558,1133 20.825,1134 20.666,1135 20.501,1136 20.48,1137 25.735,1138 4.682,1139 47.027,1140 20.177,1141 4.818,1142 5.596,1143 5.167,1144 4.552,1145 4.522,1146 6.444,1147 3.925,1148 11.754,1149 4.456,1150 6.737,1151 1.371,1152 1.388,1153 1.378,1154 1.367,1155 1.365,1156 1.716,1157 0.312,1158 3.135,1159 1.345,1160 3.91,1161 3.955,1162 3.83,1163 3.816,1164 7.474,1165 3.813,1166 3.734,1167 3.786,1168 3.606,1169 3.596,1170 6.351,1171 3.587,1172 3.49,1173 3.537,1174 3.361,1175 3.302,1176 4.898,1177 3.304,1178 3.164,1179 3.217,1180 3.006,1181 2.926,1182 4.149,1183 2.937,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.898,1189 2.715,1190 2.81,1191 2.884,1192 2.624,1193 2.543,1194 3.674,1195 2.556,1196 2.505,1197 2.606,1198 2.254,1199 2.216,1200 3.567,1201 2.217,1202 2.251,1203 2.387,1204 1.882,1205 1.908,1206 3.126,1207 1.881,1208 0.26,1209 0.24,1210 0.356,1211 0.234,1212 0.168,1213 3.896,1214 0.23,1215 3.596,1216 0.156,1217 5.34,1218 0.464,1219 3.516,1220 0.167,1221 2.522,1222 3.444,1223 2.341,1224 6.965,1225 2.508,1226 1.887,1227 1.847,1228 2.059,1229 2.01,1230 1.386,1231 2.027,1232 1.726,1233 1.673,1234 1.934,1235 1.894,1236 1.155,1237 1.91,1238 1.455,1239 1.401,1240 1.708,1241 1.676,1242 0.888,1243 1.683,1244 1.105,1245 1.047,1246 1.401,1247 1.387,1248 0.589,1249 1.386,1250 0.886,1251 0.821,1252 1.181,1253 1.082,1254 0.247,1255 1.107,1256 0.75,1257 0.68,1258 1.094,1259 1.062,1260 0.218,1261 1.089,1262 0.468,1263 0.375,1264 0.866,1265 0.821,1267 0.851,1268 0.255,1269 0.125,1270 0.739,1271 0.639,1273 0.688,1274 3.434,1276 4.595,1278 5.922,1280 7.323,1282 8.764,1289 8.441,1290 5.41,1300 18.665,1301 45.494,1302 94.98,1303 116,1304 130,1305 136,1306 140,1307 27.738,1308 5.198,1309 50.19,1310 50.19,1311 6,1312 10.782,1313 3,1314 2.322,1315 31.683,1316 49,1317 38,1318 0.314,1319 121.562,1320 210.92,1321 288.372,1322 958,1324 10.933,1325 0.729,1326 0.59,1327 10.933,1328 8.855,1329 7.288,1330 0.486,1331 0.36,1332 5.349,1333 7.061,1334 5.244,1335 4.403,1336 7.288,1337 5.395,1338 5.889,1339 0.346,1340 0.215,1341 5.889,1342 3.663,1343 3.869,1344 0.228,1345 0.139,1346 3.869,1347 2.355,1348 2.815,1349 0.156,1350 0.084,1351 2.815,1352 1.508,1353 2.047,1354 0.108,1355 0.05,1356 2.047,1357 0.955,1358 0.516,1359 45.381,1360 0.319,1361 16.187,1362 0.788,1363 64,1364 201.53,1365 69.816,1366 193.269,1367 245.43,1368 178,1369 66,1370 160.779,1371 69.99,1372 162.477,1373 224.76,1374 152,1375 6} {0 CHEMBL537926,1 1.406,2 9.316,3 3.212,4 10.316,5 74.121,6 7.093,7 0.6,8 3.645,9 3.756,10 3.155,11 3.236,12 4.791,13 3.192,14 4.138,15 4.303,16 3.448,17 3.6,18 5.3,19 3.522,20 4.405,21 4.603,22 3.432,23 3.72,24 5.43,25 3.601,26 4.509,27 4.764,28 3.233,29 3.632,30 5.492,31 3.483,32 4.269,33 4.516,34 3.242,35 3.512,36 5.273,37 3.383,38 4.197,39 4.431,40 3.088,41 3.356,42 5.303,43 3.235,44 4.004,45 4.278,46 2.727,47 3.088,48 4.931,49 2.937,50 3.604,51 3.84,52 2.531,53 2.851,54 4.461,55 2.709,56 0.027,57 0.462,58 7.454,59 3.531,60 8.114,61 4.555,62 0.155,63 0.74,64 13.029,65 5.743,66 36.053,67 7.745,68 0.108,69 0.922,70 17.762,71 7.53,72 29.583,73 10.142,74 0.285,75 0.957,76 21.57,77 7.876,78 56.895,79 10.725,80 0.074,81 0.789,82 16.006,83 6.648,84 22.324,85 9.3,86 0.144,87 0.717,88 15.26,89 5.694,90 34.642,91 7.759,92 0.149,93 0.574,94 13.035,95 4.691,96 29.037,97 6.554,98 0.032,99 0.401,100 8.048,101 3.383,102 9.901,103 4.719,104 13,105 26,106 0.258,107 0.589,108 0.754,109 0.823,110 0.862,111 0.862,112 3.008,113 0.952,114 -3.75,115 -3.72,116 -3.53,118 44.4,119 1,120 2,121 1,140 6,141 3,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 2,186 4,191 2,194 14,195 1,198 2,203 1,206 11,207 2,210 4,215 2,218 9,219 2,222 4,227 2,229 6,230 1,234 2,239 1,242 4,243 1,247 2,252 1,255 3,256 1,259 2,264 1,267 2,268 1,270 398,271 12.637,272 12.637,273 12.637,274 12.637,275 12.637,276 10.98,277 13.701,278 7.693,279 12.708,280 9.874,281 9.874,282 9.874,283 9.874,284 9.874,285 7.486,286 15.172,287 3.697,288 9.974,289 3.764,290 1.952,291 1.052,292 0.677,293 0.465,294 0.465,295 3.667,298 1,299 1,300 1,301 364,302 3.082,306 135.38,313 1.773,314 15.893,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 40.5,326 177,327 4.103,328 3.718,329 5.822,330 3.783,331 2.783,332 3.681,333 2.341,334 7.993,335 2.779,336 3.911,337 2.989,338 5.596,339 3.64,340 2.642,341 3.415,342 0.68,343 7.632,344 2.632,345 3.762,346 2.694,347 5.261,348 3.374,349 2.378,350 3.003,352 6.565,353 2.362,354 3.393,355 2.264,356 4.936,357 3.015,358 2.02,359 2.676,361 5.762,362 2.007,363 2.866,364 1.738,365 3.606,366 2.387,367 1.421,368 2.022,370 3.045,371 1.371,372 2.5,373 1.49,374 3.507,375 2.064,376 1.056,377 1.5,379 2.41,380 1.046,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.366,391 1,392 3.247,393 1.956,394 1,395 1.256,397 2.136,398 0.953,399 1.462,400 0.574,401 2.83,402 1.202,403 0.206,404 0.247,406 0.502,407 0.205,408 0.964,409 0.39,410 2.348,411 0.688,412 -0.303,413 -0.359,415 -0.751,416 -0.299,417 0.515,418 -0.041,419 2,420 0.198,421 -0.789,422 -0.969,424 -1.852,425 -0.775,426 0.5,427 -0.619,428 1.694,430 -1,431 -1.271,433 -2,434 -0.961,435 0.5,436 -0.97,437 1.555,439 -1,440 -1.5,442 -2.347,443 -0.973,444 0.421,445 -1,446 1.424,447 -0.025,448 -1,449 -1.5,451 -2.872,452 -1,453 0.178,454 -1,455 1.193,456 -0.192,457 -1.177,458 -1.509,460 -3,461 -1.16,462 9.067,463 0.477,464 0.438,465 0.023,466 24.5,467 1.289,468 13.5,469 0.711,470 11,471 0.579,472 13.036,473 0.686,474 20.333,475 0.565,476 15.464,477 0.814,478 4.9,479 0.258,480 4.248,481 0.224,482 0.129,484 0.276,487 0.747,488 1.103,489 0.851,490 1.018,491 0.72,492 0.962,493 0.437,494 1.058,495 0.897,496 1.049,497 0.413,498 1.034,499 0.81,500 1.205,501 1.11,502 1.231,503 0.851,504 1.218,505 1.289,506 0.806,507 1.105,508 0.849,509 1.309,510 0.938,511 0.478,512 1.044,513 0.797,514 1.039,515 0.455,516 0.976,517 1.136,518 1.079,519 1.071,520 1.067,521 1.101,522 1.061,523 1.07,524 0.822,525 0.961,526 0.834,527 1.069,528 0.874,529 0.491,530 1.205,531 0.95,532 1.22,533 0.555,534 1.162,535 4,536 0.07,537 1.556,538 0.688,539 0.853,540 0.299,541 0.322,542 0.198,543 0.086,544 0.106,545 3416,546 9775,547 1.995,548 47.2,549 7,550 6,552 2,553 1,554 1,558 1.595,559 1.869,560 3.225,561 -0.353,563 1,565 1,567 50.63,568 1.406,569 3.218,570 4.118,571 4.493,572 4.705,573 4.705,574 2.76,575 3.722,576 4.217,577 3.377,578 577.463,579 7.147,580 5903.21,581 1,582 1,584 1,585 186.117,586 1.384,587 4.178,588 0.2,589 0.008,590 0.06,591 0.029,592 0.045,593 0.015,594 0.02,595 0.018,596 0.01,597 0.012,598 0.416,599 0.83,600 1,601 1.315,602 84.437,603 -0.055,604 -0.004,605 0.008,606 0.042,607 -0.067,608 0.033,609 0.205,610 0.003,611 -0.011,612 -0.022,613 0.203,614 -0.04,615 -0.058,616 -0.214,617 -0.194,618 -0.225,619 -0.071,620 -0.229,621 -0.187,622 0.129,623 -0.103,624 0.108,625 -0.187,626 0.028,627 0.094,628 -0.094,629 0.135,630 -0.04,631 0.122,632 0.038,633 -0.088,634 -0.115,635 -0.087,636 -0.108,637 -0.053,638 -0.099,639 -0.084,640 0.108,641 0.044,642 0.114,643 -0.089,644 0.1,645 0.071,646 -0.254,647 -0.028,648 -0.221,649 0.008,650 -0.152,651 2.417,652 3.805,653 0.632,654 16.26,655 0.995,656 1.118,657 2.524,658 6.368,659 0.667,660 3.045,661 3.296,662 3.434,663 3.555,664 3.761,665 3.611,666 3.714,667 3.807,668 3.714,669 3.611,670 5.66,671 0.63,672 255.34,673 3.045,674 4.533,675 5.323,676 6.146,677 6.956,678 7.78,679 8.597,680 9.422,681 10.242,682 11.068,683 2.8,693 1,699 8,700 1,704 3,706 12,724 36,726 13,727 1,728 20,730 37,731 16,733 11,734 2,735 4,739 2,740 2,745 1,751 2,753 12,754 4,755 1,756 1,761 1,765 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,830 1,832 2,836 1,840 19,845 1,846 2,850 1,862 5.6,864 1,865 1,869 10.167,870 6.567,871 4.278,872 2.128,874 2.25,875 1.369,876 0.92,877 4.429,878 8.355,879 3.332,880 3.85,881 4.277,882 4.732,883 5.27,884 5.183,885 5.518,886 5.924,887 6.124,888 6.299,889 1,890 24,891 7,893 2.868,894 7.868,895 13.325,897 10.599,899 2.368,900 45,901 0.001,904 188.338,905 99.313,906 16.786,908 67.828,911 99.313,912 256.166,913 16.786,914 8.825,915 5.069,916 56.857,917 109.066,918 27.652,920 164.795,922 188.338,923 116.099,924 67.828,927 188.338,928 67.828,931 31.989,932 67.324,933 16.786,935 188.338,936 84.614,937 99.313,940 188.338,941 15.536,942 83.778,944 84.614,945 188.338,946 84.614,947 99.313,949 0.57,950 0.311,951 0.144,952 0.083,953 11,954 5,955 0.135,956 5,958 1,959 3.226,960 125.393,962 12,963 76.711,968 13.445,969 6.259,970 4.007,972 84.614,973 15.718,974 4.092,978 3.443,980 42.683,981 372.265,982 27,987 10.805,991 -0.751,994 35.825,995 40.239,996 0.272,997 0.622,998 0.797,999 0.869,1000 0.91,1001 0.91,1002 4.511,1003 1,1004 5.273,1005 2.275,1006 3.97,1007 4.533,1008 2.35,1009 5.958,1010 3.954,1011 5.682,1012 0.206,1013 6.76,1014 2.136,1015 3.434,1016 4.086,1017 2.243,1018 6.589,1019 3.426,1020 6.942,1021 -0.303,1022 8.341,1023 0.502,1024 5.451,1025 6.581,1026 3.64,1027 9.579,1028 5.428,1029 8.23,1030 -0.789,1031 9.972,1032 -0.751,1033 5.673,1034 6.842,1035 4.112,1036 10.96,1037 5.662,1038 9.543,1039 -1,1040 11.635,1041 -1.852,1042 7.171,1043 8.859,1044 5.203,1045 13.433,1046 7.144,1047 10.872,1048 -1,1049 13.317,1050 -2,1051 7.751,1052 9.466,1053 5.889,1054 15.14,1055 7.735,1056 12.213,1057 -1,1058 15.012,1059 -2.347,1060 9.007,1061 11.243,1062 6.849,1063 17.398,1064 8.977,1065 2.783,1066 -1.177,1067 16.717,1068 -2.872,1069 9.777,1070 12.058,1071 7.625,1072 19.269,1073 9.754,1074 2.642,1075 7.993,1076 18.428,1077 -3,1078 10.909,1079 13.685,1080 8.526,1081 21.425,1082 10.877,1083 2.378,1084 7.632,1085 20.144,1086 3.681,1087 11.783,1088 14.641,1089 9.342,1090 23.385,1091 11.756,1092 2.02,1093 6.565,1094 21.865,1095 3.415,1096 12.852,1097 16.165,1098 10.216,1099 25.491,1100 12.817,1101 1.421,1102 5.762,1103 23.588,1104 3.003,1105 13.783,1106 17.221,1107 11.051,1108 27.498,1109 13.752,1110 1.056,1111 3.045,1112 25.315,1113 2.676,1114 14.82,1115 18.674,1116 11.912,1117 29.581,1118 14.784,1119 1,1120 2.41,1121 27.044,1122 2.022,1123 15.785,1124 19.8,1125 12.755,1126 31.614,1127 15.75,1128 3470,1129 5926,1130 13.118,1131 24.006,1132 29.426,1133 29.734,1134 29.638,1135 29.024,1136 29.011,1137 38.599,1138 6.042,1139 76.639,1140 28.71,1141 4.922,1142 5.718,1143 5.624,1144 4.819,1145 4.783,1146 6.681,1147 3.925,1148 13.826,1149 4.779,1150 9.362,1151 1.471,1152 1.487,1153 1.482,1154 1.451,1155 1.451,1156 1.93,1157 0.302,1158 3.832,1159 1.436,1160 3.993,1161 4.024,1162 3.925,1163 3.933,1164 7.474,1165 3.927,1166 3.825,1167 3.865,1168 3.755,1169 3.731,1170 6.351,1171 3.731,1172 3.641,1173 3.674,1174 3.549,1175 3.494,1176 4.905,1177 3.497,1178 3.183,1179 3.235,1180 3.069,1181 3.05,1182 4.706,1183 3.043,1184 3.002,1185 3.039,1186 2.828,1187 2.735,1188 4.038,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.703,1194 3.859,1195 2.712,1196 2.838,1197 2.923,1198 2.64,1199 2.632,1200 3.753,1201 2.649,1202 2.749,1203 2.84,1204 2.597,1205 2.525,1206 3.674,1207 2.533,1208 0.205,1209 0.186,1210 0.291,1211 0.189,1212 0.139,1213 4.103,1214 0.184,1215 3.718,1216 0.117,1217 5.822,1218 0.4,1219 3.783,1220 0.139,1221 2.783,1222 3.681,1223 2.341,1224 7.993,1225 2.779,1226 1.975,1227 1.948,1228 2.095,1229 2.057,1230 1.301,1231 2.071,1232 1.812,1233 1.776,1234 1.951,1235 1.936,1236 1.142,1237 1.943,1238 1.608,1239 1.568,1240 1.815,1241 1.782,1242 0.911,1243 1.79,1244 1.182,1245 1.127,1246 1.453,1247 1.36,1248 0.612,1249 1.391,1250 0.887,1251 0.821,1252 1.265,1253 1.268,1254 0.403,1255 1.234,1256 0.886,1257 0.815,1258 1.181,1259 1.092,1260 0.218,1261 1.125,1262 0.831,1263 0.796,1264 1.055,1265 1.062,1266 0.07,1267 1.107,1268 0.716,1269 0.628,1270 1.014,1271 0.98,1273 1,1274 3.714,1276 4.977,1278 6.425,1280 7.946,1282 9.502,1284 1.728,1289 8.886,1290 1.422,1294 -0.343,1300 22.665,1301 50.63,1302 115.853,1303 148.243,1304 161.753,1305 169.362,1306 169.362,1307 33.051,1308 6.105,1309 50.19,1310 50.19,1311 12,1312 11.645,1313 3.807,1314 3,1315 33.942,1316 66,1317 51,1318 0.262,1319 143.756,1320 248.94,1321 342.525,1322 3036,1324 13.665,1325 0.719,1326 0.574,1327 13.665,1328 10.913,1329 9.148,1330 0.457,1331 0.317,1332 6.298,1333 8.931,1334 6.089,1335 5.108,1336 9.148,1337 6.344,1338 8.083,1339 0.311,1340 0.185,1341 8.083,1342 4.798,1343 6.201,1344 0.207,1345 0.104,1346 6.201,1347 3.117,1348 4.395,1349 0.129,1350 0.058,1351 4.395,1352 1.972,1353 3.679,1354 0.088,1355 0.032,1356 3.679,1357 1.345,1358 0.417,1359 56.542,1360 0.276,1361 19.493,1362 0.698,1363 92,1364 263.53,1365 97.816,1366 259.47,1367 341.33,1368 240,1369 102,1370 235.779,1371 106.821,1372 243.431,1373 343.36,1374 227,1375 7.699} {0 CHEMBL538545,1 1.718,2 11.393,3 4.187,4 17.532,5 109.565,6 8.019,7 0.414,8 4.036,9 4.135,10 3.791,11 3.614,12 5.111,13 3.551,14 4.592,15 4.757,16 4.083,17 3.999,18 5.877,19 3.902,20 4.885,21 5.083,22 4.118,23 4.173,24 5.956,25 4.032,26 5.024,27 5.252,28 4.025,29 4.149,30 6.107,31 4.012,32 4.977,33 5.209,34 4.108,35 4.167,36 5.977,37 4.022,38 5.033,39 5.265,40 4.154,41 4.199,42 6.131,43 4.052,44 5.026,45 5.275,46 4.01,47 4.158,48 6.089,49 4.009,50 4.896,51 5.123,52 3.883,53 4.075,54 5.964,55 3.93,56 0.107,57 0.741,58 13.22,59 5.497,60 22.044,61 6.603,62 0.464,63 1.175,64 22.453,65 9.078,66 76.062,67 11.414,68 0.387,69 1.472,70 40.054,71 13.635,72 72.908,73 16.208,74 0.724,75 1.572,76 43.394,77 13.577,78 132.802,79 16.721,80 0.579,81 1.582,82 41.421,83 13.296,84 94.191,85 16.632,86 0.697,87 1.631,88 44.613,89 14.271,90 112.521,91 18.211,92 0.708,93 1.577,94 42.142,95 13.772,96 120.884,97 17.761,98 0.516,99 1.374,100 39.963,101 12.619,102 89.072,103 15.998,104 43,105 39,106 0.287,107 0.594,108 0.774,109 0.861,110 0.874,111 0.874,112 3.374,113 1.134,114 -3.74,115 -3.71,116 -3.53,118 37.7,120 5,121 1,123 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 3,172 4,175 1,177 1,180 11,181 1,186 11,191 1,194 10,195 1,198 12,203 1,206 5,207 1,209 1,210 8,215 1,218 6,219 1,222 10,227 1,229 9,230 1,233 2,234 7,239 1,242 10,243 1,247 6,248 1,252 1,255 10,256 1,258 1,259 5,260 1,262 1,264 1,267 8,268 1,270 1468,271 18.222,272 18.222,273 18.222,274 18.222,275 18.222,276 16.272,277 15.351,278 11.027,279 18.616,280 14.286,281 14.286,282 14.286,283 14.286,284 14.286,285 11.364,286 12.105,287 5.248,288 14.988,289 4.01,290 2.179,291 1.099,292 0.58,293 0.505,294 0.505,295 4.035,297 1,299 1,300 1,301 646,302 4.743,306 226.903,313 1.663,314 42.011,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.333,326 319,327 4.925,328 4.723,329 7.642,330 4.422,331 3.5,332 4.755,333 2.341,334 13.442,335 3.203,336 4.073,337 3.596,338 6.152,339 3.823,340 2.832,341 3.55,342 0.4,343 9.089,344 2.804,345 3.849,346 3.087,347 5.477,348 3.349,349 2.429,350 3.407,352 6.554,353 2.222,354 3.55,355 2.901,356 4.985,357 3.24,358 2.235,359 2.71,361 5.55,362 2.209,363 3.268,364 2.369,365 4.659,366 2.938,367 1.989,368 2.45,370 5.184,371 1.889,372 3.107,373 1.896,374 4.519,375 2.721,376 1.782,377 2.307,379 4.595,380 1.62,381 2.719,382 1.673,383 4.004,384 2.535,385 1.55,386 1.753,388 3.367,389 1.501,390 2.639,391 1.454,392 3.641,393 2.224,394 1.268,395 1.617,397 3.078,398 1.198,399 2.5,400 1.215,401 3.434,402 2.026,403 1.049,404 1.5,406 2.443,407 1.016,408 2.5,409 1,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.26,418 1,419 3.247,420 1.956,421 1,422 1.205,424 2.136,425 0.953,426 1.708,427 0.881,428 2.987,429 1.581,430 0.591,431 0.635,433 1.293,434 0.581,435 1.119,436 0.547,437 2.725,438 0.832,439 -0.161,440 -0.166,442 -0.359,443 -0.14,444 1,445 0.453,446 2.526,447 0.588,448 -0.229,449 -0.288,451 -0.504,452 -0.17,453 0.936,454 0.028,455 2.192,456 0.375,457 -0.582,458 -0.651,460 -1.369,461 -0.553,462 13.681,463 0.489,464 0.783,465 0.028,466 33.25,467 1.188,468 16.5,469 0.589,470 16.75,471 0.598,472 26.193,473 0.935,474 31.919,475 0.602,476 26.264,477 0.938,478 6.186,479 0.221,480 7.116,481 0.254,482 0.186,483 0.061,484 0.212,487 0.572,488 1.418,489 0.747,490 1.236,491 0.667,492 1.03,493 0.525,494 1.065,495 0.753,496 0.923,497 0.458,498 0.989,499 0.858,500 1.236,501 1.194,502 1.297,503 0.787,504 1.115,505 1.249,506 0.991,507 1.003,508 0.937,509 1.298,510 0.982,511 0.913,512 0.979,513 0.774,514 0.905,515 0.936,516 0.978,517 0.726,518 1.072,519 0.868,520 1.079,521 0.78,522 1.033,523 0.898,524 0.861,525 0.807,526 0.833,527 0.947,528 0.898,529 0.98,530 1.023,531 1.134,532 1.077,533 0.948,534 1.08,535 6.5,536 0.19,537 3.778,538 1.813,539 1.253,540 1.146,541 0.692,542 0.399,543 0.279,544 0.254,545 8957,546 31412,547 1.928,548 47.2,549 8,550 11,552 2,553 1,554 2,555 1,558 1.715,559 1.778,560 3.45,561 -0.288,563 1,567 91.045,568 1.718,569 3.548,570 4.629,571 5.148,572 5.223,573 5.223,574 2.901,575 4.28,576 4.772,577 3.636,578 1374.57,579 8.329,580 18706,582 1,584 1,585 303.58,586 1.607,587 4.711,588 0.224,589 0.008,590 0.097,591 0.045,592 0.035,593 0.031,594 0.018,595 0.011,596 0.008,597 0.009,598 0.487,599 0.33,600 0.88,601 1.678,602 141.507,603 0.051,604 -0.167,605 0.139,606 -0.07,607 -0.091,608 0.004,609 0.237,610 0.082,611 0.072,612 0.074,613 0.256,614 -0.009,615 -0.061,616 -0.176,617 -0.111,618 -0.15,619 0.012,620 -0.085,621 -0.197,622 -0.013,623 -0.093,624 0.021,625 -0.161,626 -0.025,627 -0.081,628 0.049,629 0.044,630 0.051,631 -0.093,632 -0.008,633 0.082,634 -0.08,635 0.045,636 -0.08,637 0.043,638 -0.035,639 -0.033,640 0.107,641 0.028,642 0.097,643 -0.044,644 0.076,645 -0.113,646 -0.063,647 -0.15,648 -0.106,649 -0.097,650 -0.082,651 4.545,652 5.863,653 0.429,654 29.204,655 1.01,656 1.126,657 2.515,658 6.323,659 0.669,660 3.401,661 3.689,662 3.85,663 3.951,664 4.127,665 4.127,666 4.111,667 4.043,668 4.06,669 4.06,670 6.793,671 0.627,672 424.99,673 3.401,674 4.92,675 5.727,676 6.575,677 7.41,678 8.267,679 9.115,680 9.978,681 10.835,682 11.702,683 3.8,686 1,693 1,699 8,700 1,704 3,706 12,723 1,724 53,726 15,727 1,728 29,730 54,731 20,733 11,734 2,735 4,739 2,740 2,741 1,751 5,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 1,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,837 1,840 28,844 1,845 1,846 6,850 1,851 1,861 1,862 7.5,864 1,865 3,869 15.75,870 9.41,871 6.278,872 3.177,874 1.721,875 1.262,876 0.92,877 8.586,878 8.283,879 3.664,880 4.205,881 4.595,882 4.966,883 5.423,884 5.456,885 5.531,886 5.389,887 5.566,888 5.819,889 0.875,890 40,891 10.622,893 4.657,894 8.072,895 19.592,897 15.892,899 2.572,900 72.028,903 1,904 282.506,905 113.081,906 18.304,907 39.149,908 112.141,910 5.807,911 107.274,912 433.796,913 18.304,914 8.396,915 14.778,916 62.665,917 153.379,918 27.85,920 258.964,921 39.149,922 282.506,923 125.578,924 112.141,925 44.956,927 270.735,928 123.912,931 34.392,932 74.401,933 61.742,935 282.506,936 130.445,937 152.23,939 5.807,940 282.506,941 23.925,942 84.867,944 168.075,945 282.506,946 130.445,947 152.23,949 0.576,950 0.315,951 0.147,952 0.081,953 15,954 8,955 0.204,956 11,958 1,959 3.881,960 221.447,962 12,963 128.606,967 1,968 22.509,969 10.68,970 6.966,972 130.445,973 13.329,974 4.15,978 1.654,980 42.683,981 565.182,982 38,986 -3.629,987 36.366,991 -0.794,994 53.516,995 59.681,996 0.3,997 0.62,998 0.808,999 0.899,1000 0.912,1001 0.912,1002 4.883,1003 1.268,1004 5.733,1005 3.367,1006 4.369,1007 4.89,1008 2.291,1009 6.547,1010 4.273,1011 6.092,1012 1.049,1013 7.314,1014 3.078,1015 4.111,1016 4.924,1017 2.243,1018 7.825,1019 3.888,1020 7.422,1021 1,1022 9.028,1023 2.443,1024 6.009,1025 7.124,1026 3.63,1027 10.869,1028 5.795,1029 8.801,1030 1,1031 10.831,1032 2.275,1033 6.608,1034 8.028,1035 4.112,1036 13.057,1037 6.251,1038 10.226,1039 0.591,1040 12.698,1041 2.136,1042 8.046,1043 9.794,1044 5.201,1045 15.759,1046 7.676,1047 11.686,1048 -0.161,1049 14.608,1050 1.293,1051 9.021,1052 11.068,1053 5.889,1054 18.229,1055 8.513,1056 13.173,1057 -0.229,1058 16.552,1059 -0.359,1060 10.31,1061 12.693,1062 6.849,1063 20.851,1064 9.756,1065 3.5,1066 -0.582,1067 18.518,1068 -0.504,1069 11.444,1070 14.126,1071 7.625,1072 23.407,1073 10.766,1074 2.832,1075 13.442,1076 20.501,1077 -1.369,1078 12.692,1079 15.703,1080 8.526,1081 26.01,1082 11.942,1083 2.429,1084 9.089,1085 22.497,1086 4.755,1087 13.891,1088 17.206,1089 9.342,1090 28.593,1091 13.03,1092 2.235,1093 6.554,1094 24.502,1095 3.55,1096 15.13,1097 18.768,1098 10.216,1099 31.191,1100 14.184,1101 1.989,1102 5.55,1103 26.514,1104 3.407,1105 16.357,1106 20.301,1107 11.051,1108 33.784,1109 15.306,1110 1.782,1111 5.184,1112 28.531,1113 2.71,1114 17.598,1115 21.859,1116 11.912,1117 36.382,1118 16.456,1119 1.55,1120 4.595,1121 30.551,1122 2.45,1123 18.837,1124 23.406,1125 12.755,1126 38.978,1127 17.594,1128 9139,1129 17277,1130 18.375,1131 35.472,1132 42.747,1133 44.001,1134 43.84,1135 42.707,1136 42.446,1137 54.777,1138 5.482,1139 118.01,1140 40.395,1141 5.882,1142 6.723,1143 7.444,1144 5.474,1145 5.5,1146 7.755,1147 3.925,1148 21.328,1149 5.203,1150 16.898,1151 1.474,1152 1.517,1153 1.512,1154 1.473,1155 1.464,1156 1.889,1157 0.189,1158 4.069,1159 1.393,1160 4.092,1161 4.079,1162 4.741,1163 4.076,1164 7.715,1165 3.989,1166 3.913,1167 3.945,1168 3.926,1169 3.829,1170 7.474,1171 3.824,1172 3.735,1173 3.786,1174 3.85,1175 3.601,1176 6.999,1177 3.59,1178 3.676,1179 3.698,1180 3.607,1181 3.588,1182 6.351,1183 3.534,1184 3.5,1185 3.531,1186 3.408,1187 3.343,1188 4.93,1189 3.332,1190 3.268,1191 3.293,1192 3.205,1193 3.073,1194 4.892,1195 3.068,1196 3.089,1197 3.161,1198 3.118,1199 2.868,1200 4.272,1201 2.85,1202 2.878,1203 2.953,1204 2.886,1205 2.735,1206 4.191,1207 2.715,1208 0.17,1209 0.163,1210 0.264,1211 0.152,1212 0.121,1213 4.925,1214 0.164,1215 4.723,1216 0.081,1217 7.642,1218 0.464,1219 4.422,1220 0.11,1221 3.5,1222 4.755,1223 2.341,1224 13.442,1225 3.203,1226 1.969,1227 1.975,1228 2.069,1229 2.06,1230 1.425,1231 2.09,1232 1.895,1233 1.861,1234 1.955,1235 1.986,1236 1.239,1237 2.012,1238 1.728,1239 1.675,1240 1.936,1241 1.894,1242 1.144,1243 1.911,1244 1.583,1245 1.56,1246 1.758,1247 1.766,1248 0.892,1249 1.783,1250 1.437,1251 1.408,1252 1.648,1253 1.647,1254 0.853,1255 1.661,1256 1.185,1257 1.157,1258 1.446,1259 1.405,1260 0.627,1261 1.419,1262 1.057,1263 0.985,1264 1.211,1265 1.292,1266 0.416,1267 1.347,1268 0.886,1269 0.821,1270 1.181,1271 1.156,1272 0.372,1273 1.173,1274 4.078,1276 5.371,1278 6.853,1280 8.423,1282 10.042,1284 1.567,1285 5.856,1289 8.744,1290 3.455,1294 -0.023,1295 1.352,1300 33.238,1301 91.045,1302 188.07,1303 245.315,1304 272.825,1305 276.825,1306 276.825,1307 94.986,1308 6.562,1309 87.57,1310 95.95,1311 12,1312 12.25,1313 4,1314 3.322,1315 61.636,1316 108,1317 128,1318 0.265,1319 216.376,1320 380.44,1321 519.718,1322 5099,1323 1.9,1324 20.571,1325 0.735,1326 0.62,1327 21.321,1328 17.364,1329 13.303,1330 0.459,1331 0.378,1332 9.191,1333 11.75,1334 8.805,1335 7.334,1336 14.38,1337 10.959,1338 12.105,1339 0.31,1340 0.236,1341 13.874,1342 9.197,1343 9.167,1344 0.199,1345 0.145,1346 10.82,1347 6.688,1348 6.452,1349 0.127,1350 0.086,1351 7.503,1352 4.362,1353 5.029,1354 0.082,1355 0.053,1356 6.092,1357 3.248,1358 0.416,1359 94.169,1360 0.233,1361 26.934,1362 0.727,1363 136,1364 449.71,1365 203.612,1366 480.947,1367 616.89,1368 438,1369 153,1370 376.324,1371 219.586,1372 428.789,1373 612.7,1374 399,1375 5} {0 CHEMBL53881,1 1.494,2 14.31,3 2.772,4 7.682,5 112.169,6 6.823,7 0.367,8 4.143,9 4.257,10 3.62,11 3.573,12 5.204,13 3.559,14 4.699,15 4.88,16 3.852,17 3.881,18 5.732,19 3.842,20 4.857,21 5.07,22 3.806,23 3.968,24 5.793,25 3.878,26 4.9,27 5.132,28 3.764,29 3.967,30 5.808,31 3.862,32 4.925,33 5.164,34 3.739,35 3.95,36 5.822,37 3.842,38 4.896,39 5.146,40 3.723,41 3.942,42 5.746,43 3.827,44 4.873,45 5.117,46 3.721,47 3.968,48 5.764,49 3.841,50 4.897,51 5.166,52 3.684,53 3.98,54 5.68,55 3.844,56 0.02,57 0.777,58 13.519,59 5.569,60 9.626,61 7.455,62 0.498,63 1.145,64 25.89,65 8.293,66 44.9,67 11.4,68 0.579,69 1.259,70 30.589,71 10.12,72 47.638,73 14.102,74 0.47,75 1.294,76 31.897,77 10.444,78 51.117,79 14.852,80 0.554,81 1.29,82 33.138,83 10.375,84 58.79,85 14.843,86 0.611,87 1.285,88 32.127,89 10.077,90 50.727,91 14.723,92 0.571,93 1.307,94 30.948,95 10.253,96 54.972,97 15.028,98 0.405,99 1.343,100 31.65,101 10.348,102 40.83,103 15.51,104 22,105 36,106 0.246,107 0.584,108 0.842,109 0.88,110 0.88,111 0.88,112 3.407,113 0.982,114 -3.09,115 -3.09,116 -2.97,118 37.3,119 1,120 2,123 1,124 5,126 1,133 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,168 7,171 2,172 7,180 6,185 2,186 7,194 3,197 1,198 7,206 1,209 1,210 6,218 1,221 2,222 5,229 1,233 2,234 7,242 2,247 6,255 3,258 1,259 4,267 5,270 1918,271 19.982,272 19.982,273 19.982,274 19.982,275 19.982,276 18.3,277 24.52,278 12.675,279 20.79,280 14.758,281 14.758,282 14.758,283 14.758,284 14.758,285 12.194,286 23.825,287 5.943,288 15.822,289 4.389,290 2.331,291 0.763,292 0.534,293 0.534,294 0.534,295 4.078,299 1,300 1,301 844,302 4.528,305 105.337,306 122.505,313 2.205,314 26.437,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 64,326 415,327 4.035,328 3.567,329 5.584,330 3.632,331 2.687,332 3.635,333 1.674,334 7.703,335 2.582,336 3.956,337 3.017,338 5.479,339 3.586,340 2.641,341 3.49,342 1.151,343 7.335,344 2.45,345 3.746,346 2.907,347 5.113,348 3.351,349 2.373,350 2.994,351 0.86,352 6.29,353 2.298,354 3.496,355 2.66,356 5.042,357 3.189,358 2.277,359 2.767,360 0.86,361 6.115,362 2.078,363 3.381,364 2.492,365 5.029,366 3.109,367 2.17,368 2.434,370 6.066,371 2.019,372 2.907,373 2.056,374 3.784,375 2.693,376 1.717,377 1.89,379 3.506,380 1.671,381 2.592,382 1.868,383 3.505,384 2.16,385 1.269,386 1.617,388 2.714,389 1.128,390 2.5,391 1.807,392 3.421,393 2.142,394 1.232,395 1.5,397 2.579,398 1.109,399 2.436,400 1.477,401 3.414,402 2,403 1.058,404 1.385,406 2.275,407 1,408 2.176,409 1.211,410 3.224,411 1.96,412 1,413 1.146,415 2.121,416 0.942,417 2.118,418 1.098,419 3,420 1.8,421 0.853,422 0.958,424 1.53,425 0.796,426 2.068,427 1,428 2.918,429 1.554,430 0.618,431 0.927,433 1.372,434 0.577,435 1.688,436 0.673,437 2.782,438 1.417,439 0.545,440 0.602,442 0.894,443 0.47,444 1.48,445 0.618,446 2.531,447 1.186,448 0.244,449 0.285,451 0.49,452 0.226,453 1.083,454 0.44,455 2.449,456 0.86,457 -0.059,458 -0.065,460 -0.126,461 -0.054,462 13.467,463 0.464,464 0.379,465 0.013,466 32,467 1.103,468 13.5,469 0.466,470 18.5,471 0.638,472 25.085,473 0.865,474 33.933,475 0.575,476 24.055,477 0.829,478 6.831,479 0.236,480 7.376,481 0.254,482 0.099,484 0.178,487 0.839,488 1.606,489 0.861,490 1.431,491 0.663,492 1.189,493 1.355,494 1.022,495 1.094,496 0.999,497 0.845,498 0.99,499 1.16,500 1.019,501 1.087,502 1.052,503 0.931,504 1.059,505 1.092,506 1.057,507 1.054,508 1.091,509 1.118,510 1.071,511 1.21,512 1.001,513 1.066,514 1.01,515 1.29,516 1.014,517 0.986,518 0.926,519 0.995,520 0.933,521 0.856,522 0.959,523 0.771,524 1.068,525 0.99,526 1.046,527 0.731,528 1.058,529 0.768,530 0.963,531 0.91,532 0.929,533 0.575,534 0.938,535 4.5,536 0.155,537 1.778,538 0.972,539 0.577,540 0.479,541 0.253,542 0.172,543 0.214,544 0.115,545 11897,546 33301,547 1.996,548 50.8,549 2,550 20,551 1,552 2,555 5,558 1.719,559 1.912,560 3.779,561 -0.751,563 1,567 88.152,568 1.494,569 3.552,570 5.12,571 5.349,572 5.349,573 5.349,574 3.28,575 4.306,576 4.824,577 3.969,578 1611.52,579 8.402,580 24625.4,582 1,584 1,585 347.076,586 1.113,587 4.811,588 0.15,589 0.006,590 0.049,591 0.029,592 0.019,593 0.016,594 0.008,595 0.006,596 0.007,597 0.004,598 0.294,599 0.33,600 0.88,601 2.112,602 153.271,603 -0.009,604 -0.325,605 0.065,606 -0.214,607 -0.008,608 -0.083,609 -0.102,610 0.074,611 -0.074,612 0.024,613 0.027,614 -0.012,615 -0.043,616 -0.014,617 -0.09,618 -0.037,619 -0.041,620 -0.069,621 -0.075,622 -0.073,623 -0.069,624 -0.095,625 -0.08,626 -0.083,627 -0.108,628 -0.048,629 -0.064,630 -0.04,631 -0.136,632 -0.045,633 -0.003,634 0.046,635 -0.009,636 0.033,637 -0.025,638 0.015,639 0.077,640 -0.068,641 -0.031,642 -0.044,643 0.056,644 -0.057,645 -0.044,646 0.028,647 0.035,648 0.05,649 -0.024,650 0.06,651 1.974,652 4.26,653 0.379,654 36.704,655 1.004,656 1.133,657 1.859,658 3.457,659 0.626,660 3.434,661 3.611,662 3.738,663 3.85,664 3.871,665 3.871,666 3.871,667 3.85,668 3.932,669 3.989,670 8.366,671 0.593,672 402.54,673 3.434,674 4.89,675 5.659,676 6.454,677 7.236,678 8.036,679 8.825,680 9.628,681 10.421,682 11.225,683 3.4,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 59,726 13,727 1,728 30,730 60,731 22,733 9,734 2,735 4,736 3,739 2,740 2,745 1,751 3,753 12,754 10,756 2,761 1,763 2,765 1,769 1,772 30,773 6,775 7,778 1,779 2,784 1,785 5,801 1,802 1,819 1,822 2,831 2,832 2,836 2,840 29,846 7,848 4,850 1,862 8.5,865 1,866 2,867 2,869 15.167,870 10.817,871 6.917,872 3.533,874 1.627,875 1.246,876 0.903,877 11.121,878 8.236,879 3.651,880 4.056,881 4.45,882 4.824,883 5.007,884 4.956,885 4.98,886 4.942,887 5.147,888 5.383,889 0.9,890 33,891 10.701,893 4.171,894 7.736,895 20.484,897 15.375,899 2.236,900 64.833,903 1,904 353.133,905 144.444,906 18.685,908 69.144,911 144.444,912 422.278,913 18.685,914 19.708,915 25.544,916 65.905,917 103.282,918 41.375,919 11.771,920 317.82,922 353.133,923 163.128,924 69.144,927 294.278,928 106,929 22,931 53.935,932 73.456,933 35.738,935 353.133,936 87.829,937 144.444,940 353.133,941 41.165,942 105.178,944 85.93,945 353.133,946 87.829,947 144.444,949 0.54,950 0.298,951 0.151,952 0.07,953 11,954 5,955 0.25,956 15,958 1,959 4.33,960 211.245,962 11,963 136.881,968 23.139,969 13.937,970 9.747,972 85.93,973 13.226,974 4.074,978 1.906,979 1.974,981 585.406,982 37.5,987 11.26,989 3.275,991 -0.307,994 59.211,995 66.856,996 0.254,997 0.604,998 0.87,999 0.909,1000 0.909,1001 0.909,1002 4.81,1003 1.232,1004 5.549,1005 2.714,1006 4.29,1007 4.741,1008 2.503,1009 6.163,1010 4.164,1011 5.917,1012 1.058,1013 6.98,1014 2.579,1015 3.434,1016 4.086,1018 6.629,1019 3.286,1020 7.136,1021 1,1022 8.502,1023 2.275,1024 5.694,1025 6.686,1026 3.11,1027 9.63,1028 5.456,1029 8.389,1030 0.853,1031 10.079,1032 2.121,1033 5.707,1034 6.93,1036 10.934,1037 5.429,1038 9.674,1039 0.618,1040 11.69,1041 1.53,1042 7.314,1043 8.894,1044 3.938,1045 13.35,1046 6.973,1047 10.979,1048 0.545,1049 13.324,1050 1.372,1051 7.751,1052 9.565,1054 15.008,1055 7.357,1056 12.3,1057 0.244,1058 14.974,1059 0.894,1060 9.052,1061 11.236,1062 4.882,1063 17.198,1064 8.611,1065 2.687,1066 -0.059,1067 16.633,1068 0.49,1069 9.719,1070 12.139,1072 19.027,1073 9.218,1074 2.641,1075 7.703,1076 18.3,1077 -0.126,1078 10.863,1079 13.657,1080 5.876,1081 21.12,1082 10.323,1083 2.373,1084 7.335,1085 19.972,1086 3.635,1087 11.659,1088 14.694,1090 23.037,1091 11.057,1092 2.277,1093 6.29,1094 21.648,1095 3.49,1096 12.722,1097 16.125,1098 6.891,1099 25.088,1100 12.082,1101 2.17,1102 6.115,1103 23.327,1104 2.994,1105 13.591,1106 17.245,1108 27.053,1109 12.892,1110 1.717,1111 6.066,1112 25.01,1113 2.767,1114 14.611,1115 18.622,1116 7.915,1117 29.086,1118 13.874,1119 1.269,1120 3.506,1121 26.694,1122 2.434,1123 15.524,1124 19.796,1126 31.078,1127 14.73,1128 11970,1129 20124,1130 20.049,1131 36.943,1132 42.157,1133 42.743,1134 42.548,1135 41.332,1136 41.367,1137 51.258,1138 9.09,1139 101.981,1140 38.693,1141 4.975,1142 5.567,1143 5.415,1144 4.711,1145 4.687,1146 6.635,1147 3.349,1148 13.229,1149 4.582,1150 13.308,1151 1.405,1152 1.425,1153 1.418,1154 1.378,1155 1.379,1156 1.709,1157 0.303,1158 3.399,1159 1.29,1160 3.963,1161 4.016,1162 3.894,1163 3.853,1164 7.434,1165 3.854,1166 3.903,1167 3.937,1168 3.842,1169 3.725,1170 4.962,1171 3.75,1172 3.764,1173 3.802,1174 3.666,1175 3.622,1176 4.876,1177 3.623,1178 3.599,1179 3.631,1180 3.493,1181 3.374,1182 4.649,1183 3.395,1184 3.496,1185 3.552,1186 3.339,1187 3.288,1188 4.507,1189 3.289,1190 3.341,1191 3.392,1192 3.183,1193 3.142,1194 4.454,1195 3.137,1196 3.269,1197 3.331,1198 3.092,1199 3.056,1200 4.269,1201 3.061,1202 3.08,1203 3.152,1204 2.876,1205 2.824,1206 4.198,1207 2.816,1208 0.135,1209 0.119,1210 0.186,1211 0.121,1212 0.09,1213 4.035,1214 0.121,1215 3.567,1216 0.056,1217 5.584,1218 0.257,1219 3.632,1220 0.086,1221 2.687,1222 3.635,1223 1.674,1224 7.703,1225 2.582,1226 1.9,1227 1.878,1228 2.016,1229 2.008,1230 1.245,1231 2.009,1232 1.75,1233 1.707,1234 1.959,1235 1.944,1236 1.172,1237 1.945,1238 1.67,1239 1.619,1240 1.859,1241 1.87,1242 1.12,1243 1.871,1244 1.495,1245 1.435,1246 1.802,1247 1.748,1248 0.94,1249 1.763,1250 1.373,1251 1.318,1252 1.599,1253 1.625,1254 0.71,1255 1.614,1256 1.308,1257 1.252,1258 1.581,1259 1.551,1260 0.685,1261 1.561,1262 1.281,1263 1.218,1264 1.531,1265 1.525,1266 0.604,1267 1.518,1268 1.192,1269 1.121,1270 1.453,1271 1.477,1272 0.518,1273 1.488,1274 4.111,1276 5.323,1277 2.398,1278 6.698,1279 4.443,1280 8.149,1281 6.26,1282 9.643,1284 3.437,1290 4.19,1292 21.885,1294 -0.087,1300 34.992,1301 88.152,1302 209.553,1303 302.056,1304 315.566,1305 315.566,1306 315.566,1307 62.226,1308 6.609,1309 71.81,1310 71.81,1311 11,1312 11.821,1313 3.807,1314 3.087,1315 65.573,1316 136,1317 166,1318 0.212,1319 220.093,1320 390.11,1321 528.787,1322 6208,1324 20.736,1325 0.715,1326 0.592,1327 20.736,1328 17.159,1329 14.207,1330 0.474,1331 0.327,1332 9.613,1333 13.386,1334 9.367,1335 7.819,1336 14.207,1337 9.822,1338 11.364,1339 0.316,1340 0.178,1341 11.364,1342 6.412,1343 8.751,1344 0.213,1345 0.1,1346 8.751,1347 4.114,1348 6.638,1349 0.144,1350 0.057,1351 6.638,1352 2.634,1353 4.374,1354 0.093,1355 0.033,1356 4.374,1357 1.557,1358 0.347,1359 90.864,1360 0.223,1361 28.682,1362 0.542,1363 132,1364 463.968,1365 150.692,1366 421.28,1367 553.28,1368 398,1369 143,1370 372.748,1371 160.978,1372 372.814,1373 531.67,1374 346,1375 5} {0 CHEMBL539177,1 1.64,2 20.289,3 2.866,4 8.215,5 171.53,6 7.6,7 0.367,8 4.507,9 4.622,10 4.115,11 4.039,12 5.597,13 4.007,14 5.068,15 5.241,16 4.448,17 4.426,18 6.11,19 4.365,20 5.327,21 5.54,22 4.512,23 4.555,24 6.348,25 4.473,26 5.361,27 5.564,28 4.539,29 4.525,30 6.488,31 4.459,32 5.35,33 5.553,34 4.459,35 4.547,36 6.416,37 4.46,38 5.385,39 5.622,40 4.377,41 4.581,42 6.321,43 4.444,44 5.35,45 5.608,46 4.311,47 4.492,48 6.354,49 4.358,50 5.206,51 5.439,52 4.293,53 4.404,54 6.227,55 4.307,56 0.096,57 1.23,58 17.344,59 7.839,60 13.903,61 9.978,62 0.547,63 2.006,64 37.387,65 12.938,66 45.855,67 16.872,68 0.668,69 2.382,70 49.396,71 16.926,72 72.684,73 22.273,74 0.879,75 2.384,76 53.645,77 16.404,78 121.605,79 21.089,80 0.948,81 2.348,82 50.347,83 16.787,84 115.149,85 21.62,86 0.778,87 2.473,88 55.449,89 19.277,90 81.395,91 25.898,92 0.839,93 2.332,94 54.024,95 18.129,96 112.709,97 25.448,98 0.573,99 2.037,100 41.834,101 15.29,102 69.253,103 21.325,104 26,105 65,106 0.247,107 0.567,108 0.767,109 0.839,110 0.875,111 0.878,112 3.831,113 0.998,114 -3.51,115 -3.49,116 -3.33,118 39.8,119 1,120 3,124 7,126 1,127 1,140 8,141 4,143 4,153 1,154 3,162 1,168 12,171 3,172 12,177 2,180 11,185 1,186 15,189 2,191 1,194 7,197 1,198 19,201 1,203 1,206 7,209 3,210 12,218 8,221 2,222 7,225 1,229 9,233 7,234 10,242 9,246 2,247 8,250 1,252 1,255 7,258 2,259 12,264 2,267 5,270 5224,271 31.026,272 31.026,273 31.026,274 31.026,275 31.026,276 28.339,277 27.777,278 18.916,279 31.875,280 24.158,281 24.158,282 24.158,283 24.158,284 24.158,285 20.034,286 26.546,287 8.923,288 25.339,289 4.735,290 2.61,291 1.282,292 0.8,293 0.563,294 0.539,295 4.535,301 1964,302 4.899,305 160.698,306 744.058,313 3.241,314 50.722,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,323 0.5,324 0.59,325 98,326 913,327 4.397,328 4.549,329 6.506,330 4.041,331 3.069,332 3.992,333 3.528,334 10.193,335 3.007,336 4.219,337 3.999,338 6.444,339 3.995,340 3.029,341 3.658,342 2.443,343 9.903,344 2.907,345 4.17,346 3.807,347 6.372,348 3.893,349 2.92,350 3.562,351 2.373,352 9.623,353 2.842,354 3.999,355 3.687,356 6.112,357 3.706,358 2.746,359 3.266,360 1.985,361 8.902,362 2.624,363 3.701,364 3.681,365 5.361,366 3.35,367 2.373,368 3.136,369 1.2,370 6.756,371 2.297,372 3.655,373 2.989,374 5.232,375 3.313,376 2.341,377 2.825,378 0.635,379 6.336,380 2.274,381 3.414,382 2.939,383 5.083,384 3.134,385 2.173,386 2.596,387 0.478,388 6.066,389 2.08,390 3.277,391 2.565,392 5.029,393 2.918,394 1.976,395 2.44,396 0.293,397 5.84,398 1.846,399 3.057,400 2.321,401 4.416,402 2.727,403 1.78,404 2.19,405 0.286,406 4.283,407 1.674,408 2.898,409 2.176,410 4.185,411 2.616,412 1.675,413 1.981,414 0.048,415 3.915,416 1.568,417 2.794,418 2.071,419 3.806,420 2.482,421 1.516,422 1.834,424 3.35,425 1.46,426 2.602,427 1.938,428 3.737,429 2.217,430 1.268,431 1.566,433 2.823,434 1.197,435 2.528,436 1.883,437 3.566,438 2.157,439 1.199,440 1.5,442 2.694,443 1.131,444 2.5,445 1.826,446 3.481,447 2,448 1.028,449 1.5,451 2.329,452 1,453 2.5,454 1.726,455 3.414,456 1.975,457 1,458 1.5,460 2.275,461 0.965,462 21.4,463 0.476,464 0.815,465 0.018,466 53.5,467 1.189,468 24,469 0.533,470 29.5,471 0.656,472 46.026,473 1.023,474 49.4,475 0.595,476 46.592,477 1.035,478 10.324,479 0.229,480 11.705,481 0.26,482 0.07,484 0.271,487 0.682,488 1.383,489 0.756,490 1.107,491 0.527,492 1.013,493 0.892,494 1.185,495 1.075,496 1.098,497 0.61,498 1.008,499 1.061,500 1.016,501 0.973,502 0.976,503 0.925,504 0.96,505 1.51,506 1.053,507 1.105,508 1.023,509 1.772,510 0.986,511 1.431,512 0.982,513 1.104,514 0.929,515 1.511,516 1.021,517 0.725,518 1.043,519 1.098,520 1.115,521 0.6,522 1.087,523 0.536,524 0.935,525 0.91,526 1.006,527 0.552,528 0.974,529 0.682,530 1.042,531 0.733,532 0.943,533 0.747,534 0.971,535 6.5,536 0.287,537 5.111,538 2.75,539 1.602,540 1.07,541 0.938,542 0.687,543 0.419,544 0.374,545 43120,546 118703,547 2.095,548 45.8,549 2,550 23,551 1,552 4,553 1,554 2,555 5,558 1.824,559 2,560 4.245,561 -0.363,567 136.123,568 1.64,569 3.765,570 5.094,571 5.575,572 5.812,573 5.836,574 3.774,575 5.031,576 5.456,577 4.457,578 4412.69,579 9.654,580 91681.7,585 529.128,586 1.227,587 5.441,588 0.133,589 0.005,590 0.079,591 0.04,592 0.024,593 0.017,594 0.016,595 0.012,596 0.007,597 0.007,598 0.341,599 0.33,600 0.5,601 1.531,602 270.919,603 0.036,604 -0.179,605 0.073,606 -0.047,607 0.017,608 -0.014,609 0.017,610 -0.04,611 -0.053,612 -0.034,613 0.029,614 -0.03,615 -0.065,616 0.013,617 0.004,618 0.015,619 -0.021,620 0.018,621 -0.194,622 -0.038,623 -0.062,624 -0.035,625 -0.198,626 -0.039,627 -0.187,628 0.022,629 -0.141,630 0.033,631 -0.208,632 -0.068,633 0.057,634 -0.05,635 -0.075,636 -0.075,637 0.037,638 -0.067,639 0.204,640 0.024,641 0.073,642 -0.014,643 0.207,644 0.045,645 0.131,646 -0.081,647 0.11,648 -0.013,649 0.093,650 0.032,651 1.877,652 6.348,653 0.644,654 80.628,655 1.006,656 1.128,657 2.282,658 5.208,659 0.664,660 3.912,661 4.19,662 4.454,663 4.663,664 4.844,665 4.92,666 5.088,667 5.176,668 5.252,669 5.366,670 11.343,671 0.63,672 630.84,673 3.912,674 5.434,675 6.271,676 7.124,677 7.977,678 8.838,679 9.7,680 10.566,681 11.433,682 12.303,683 7.2,685 1,690 2,692 1,693 2,699 12,700 2,704 4,706 18,709 1,713 1,724 83,726 22,727 1,728 49,730 87,731 33,733 16,734 2,735 4,736 2,739 5,740 5,745 1,748 1,751 4,753 20,754 13,756 4,761 3,764 1,765 4,772 38,773 11,774 1,775 12,776 1,779 6,784 1,785 5,795 2,801 1,802 4,817 1,819 1,826 1,832 5,833 1,834 1,836 1,840 45,846 10,847 1,848 2,849 1,850 2,851 2,862 6,865 3,867 2,869 22.5,870 14.917,871 10.194,872 5.218,874 2.875,875 1.332,876 0.953,877 12.11,878 11.545,879 4.143,880 4.62,881 5.116,882 5.559,883 6.012,884 6.148,885 6.547,886 6.775,887 6.993,888 7.226,889 0.929,890 68,891 16.753,893 7.084,894 7.774,895 32.006,897 26.071,899 2.274,900 102.333,904 435.531,905 211.255,906 77.23,908 97.653,910 32.22,911 179.035,912 533.184,913 77.23,914 8.825,915 32.36,916 93.821,917 175.448,918 90.55,919 11.771,920 408.895,922 435.531,923 256.266,924 97.653,925 32.22,927 376.675,928 156.509,931 114.785,932 107.91,933 33.571,934 32.22,935 435.531,936 174.884,937 211.255,940 435.531,941 90.43,942 127.073,943 18.011,944 150.624,945 435.531,946 174.884,947 211.255,949 0.565,950 0.331,951 0.175,952 0.089,953 27,954 12,955 0.149,956 13,958 1,959 5.592,960 438.729,962 29,963 237.133,964 1,968 32.773,969 16.628,970 8.986,972 174.884,973 21.893,974 8.393,978 3.198,980 18.011,981 821.669,982 62,987 38.082,990 4.379,991 0.397,994 83.461,995 93.6,996 0.257,997 0.591,998 0.799,999 0.875,1000 0.912,1001 0.915,1002 5.368,1003 1.976,1004 6.221,1005 6.066,1006 4.875,1007 5.308,1008 4.044,1009 6.989,1010 4.792,1011 6.516,1012 1.78,1013 7.752,1014 5.84,1015 4.29,1016 4.844,1017 2.94,1018 7.828,1019 4.205,1020 7.783,1021 1.675,1022 9.39,1023 4.283,1024 6.422,1025 7.318,1026 6.044,1027 10.931,1028 6.271,1029 9.085,1030 1.516,1031 11.094,1032 3.915,1033 6.735,1034 7.712,1035 5.272,1036 12.637,1037 6.58,1038 10.423,1039 1.268,1040 12.841,1041 3.35,1042 8.261,1043 9.627,1044 8.324,1045 15.226,1046 8.054,1047 11.785,1048 1.199,1049 14.617,1050 2.823,1051 8.985,1052 10.422,1053 7.714,1054 17.266,1055 8.766,1056 13.166,1057 1.028,1058 16.413,1059 2.694,1060 10.262,1061 12.089,1062 10.716,1063 19.677,1064 10.001,1065 3.069,1066 1,1067 18.223,1068 2.329,1069 11.182,1070 13.102,1071 10.275,1072 21.857,1073 10.904,1074 3.029,1075 10.193,1076 20.043,1077 2.275,1078 12.353,1079 14.638,1080 13.161,1081 24.199,1082 12.039,1083 2.92,1084 9.903,1085 21.872,1086 3.992,1087 13.367,1088 15.781,1089 12.886,1090 26.441,1091 13.031,1092 2.746,1093 9.623,1094 23.706,1095 3.658,1096 14.494,1097 17.243,1098 15.63,1099 28.755,1100 14.127,1101 2.373,1102 8.902,1103 25.545,1104 3.562,1105 15.553,1106 18.468,1107 15.508,1108 31.025,1109 15.161,1110 2.341,1111 6.756,1112 27.387,1113 3.266,1114 16.662,1115 19.887,1116 18.112,1117 33.329,1118 16.242,1119 2.173,1120 6.336,1121 29.233,1122 3.136,1123 17.743,1124 21.163,1125 18.124,1126 35.613,1127 17.297,1128 40782,1129 67811,1130 33.285,1131 55.137,1132 72.733,1133 78.857,1134 73.976,1135 71.931,1136 71.957,1137 89.103,1138 26.539,1139 196.785,1140 68.862,1141 5.397,1142 6.549,1143 6.334,1144 5.145,1145 5.069,1146 6.992,1147 6.918,1148 17.111,1149 5.007,1150 19.697,1151 1.484,1152 1.609,1153 1.51,1154 1.468,1155 1.469,1156 1.818,1157 0.542,1158 4.016,1159 1.405,1160 4.023,1161 4.057,1162 4.06,1163 3.936,1164 7.434,1165 3.938,1166 3.927,1167 3.963,1168 3.953,1169 3.845,1170 7.428,1171 3.828,1172 3.851,1173 3.9,1174 3.789,1175 3.726,1176 7.425,1177 3.733,1178 3.781,1179 3.823,1180 3.715,1181 3.635,1182 5.008,1183 3.645,1184 3.746,1185 3.788,1186 3.646,1187 3.578,1188 4.897,1189 3.577,1190 3.629,1191 3.682,1192 3.628,1193 3.5,1194 4.798,1195 3.477,1196 3.525,1197 3.578,1198 3.401,1199 3.293,1200 4.629,1201 3.299,1202 3.353,1203 3.402,1204 3.318,1205 3.159,1206 4.468,1207 3.177,1208 0.09,1209 0.093,1210 0.133,1211 0.082,1212 0.063,1213 4.397,1214 0.081,1215 4.549,1216 0.072,1217 6.506,1218 0.208,1219 4.041,1220 0.061,1221 3.069,1222 3.992,1223 3.528,1224 10.193,1225 3.007,1226 1.958,1227 1.936,1228 2.048,1229 2.067,1230 1.287,1231 2.06,1232 1.845,1233 1.81,1234 1.967,1235 2.002,1236 1.279,1237 1.994,1238 1.812,1239 1.772,1240 1.951,1241 1.963,1242 1.134,1243 1.965,1244 1.746,1245 1.692,1246 1.945,1247 1.907,1248 1.076,1249 1.919,1250 1.711,1251 1.662,1252 1.893,1253 1.891,1254 1.035,1255 1.894,1256 1.502,1257 1.454,1258 1.8,1259 1.742,1260 0.941,1261 1.758,1262 1.483,1263 1.42,1264 1.685,1265 1.711,1266 0.936,1267 1.71,1268 1.277,1269 1.229,1270 1.54,1271 1.542,1272 0.825,1273 1.537,1274 4.595,1276 5.883,1277 2.398,1278 7.366,1279 4.595,1280 8.933,1281 6.605,1282 10.544,1284 1.789,1290 5.05,1291 3.432,1292 10.561,1293 1.711,1294 -0.198,1295 3.647,1300 52.318,1301 136.123,1302 312.503,1303 422.764,1304 462.764,1305 482.373,1306 484.373,1307 109.671,1308 8.669,1309 126.32,1310 151.62,1311 29,1312 12.847,1313 4.524,1314 3.807,1315 77.058,1316 306,1317 344,1318 0.118,1319 324.172,1320 579.1,1321 782.741,1322 90543,1324 31.434,1325 0.699,1326 0.581,1327 31.788,1328 26.156,1329 22.029,1330 0.45,1331 0.333,1332 15.113,1333 20.618,1334 14.737,1335 12.131,1336 22.483,1337 16.301,1338 18.747,1339 0.288,1340 0.182,1341 19.297,1342 11.829,1343 16.064,1344 0.189,1345 0.104,1346 16.768,1347 8.881,1348 12.911,1349 0.123,1350 0.061,1351 13.718,1352 6.411,1353 9.823,1354 0.078,1355 0.033,1356 10.441,1357 4.179,1358 0.195,1359 143.369,1360 0.173,1361 40.738,1362 0.3,1363 228,1364 714.097,1365 275.392,1366 693.943,1367 931.55,1368 652,1369 264,1370 651.832,1371 309.575,1372 660.234,1373 963.19,1374 622,1375 7.357} {0 CHEMBL540586,1 1.627,2 10.731,3 2.385,4 5.686,5 101.287,6 7.364,7 0.444,8 3.992,9 4.11,10 3.69,11 3.562,12 5.041,13 3.494,14 4.537,15 4.707,16 3.905,17 3.929,18 5.799,19 3.825,20 4.84,21 5.068,22 3.909,23 4.062,24 5.852,25 3.915,26 4.902,27 5.146,28 3.863,29 4.024,30 5.929,31 3.875,32 4.886,33 5.139,34 3.853,35 4.008,36 5.893,37 3.86,38 4.86,39 5.105,40 3.85,41 4.011,42 5.876,43 3.86,44 4.835,45 5.072,46 3.829,47 3.994,48 5.941,49 3.859,50 4.768,51 5.002,52 3.75,53 3.953,54 5.831,55 3.823,56 0.093,57 0.751,58 14.103,59 5.13,60 20.316,61 6.538,62 0.336,63 1.152,64 22.221,65 8.721,66 67.991,67 11.352,68 0.284,69 1.414,70 34.254,71 11.898,72 69.388,73 15.292,74 0.41,75 1.441,76 36.389,77 11.619,78 90.715,79 15.242,80 0.439,81 1.427,82 36.094,83 11.332,84 83.405,85 14.958,86 0.398,87 1.393,88 36.146,89 11.419,90 82.66,91 14.968,92 0.493,93 1.341,94 33.589,95 11.002,96 96.62,97 14.406,98 0.303,99 1.281,100 30.397,101 10.4,102 67.88,103 13.852,104 23,105 35,106 0.274,107 0.583,108 0.75,109 0.855,110 0.877,111 0.877,112 3.303,113 1.133,114 -2.62,115 -2.64,116 -2.57,118 37.3,120 5,121 1,124 1,140 7,141 1,142 1,143 2,154 1,159 1,160 1,161 1,168 12,171 1,172 3,174 1,175 3,177 2,180 11,183 1,186 7,191 5,194 8,196 1,198 8,203 5,206 5,208 1,210 8,213 1,215 4,218 6,220 1,222 6,227 2,229 9,232 1,233 2,234 6,239 2,242 11,245 1,247 6,252 1,255 11,257 1,259 5,262 1,263 1,264 1,266 1,267 8,269 1,270 1260,271 17.25,272 17.25,273 17.25,274 17.25,275 17.25,276 15.303,277 10.818,278 10.723,279 17.453,280 13.35,281 13.35,282 13.35,283 13.35,284 13.35,285 10.471,286 6.14,287 5.123,288 13.692,289 4.045,290 2.216,291 1.224,292 0.603,293 0.471,294 0.471,295 3.968,298 1,299 1,300 1,301 567,302 4.472,306 208.876,313 1.675,314 34.356,316 1,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 56.5,326 279,327 4.843,328 4.683,329 7.293,330 4.292,331 3.375,332 4.694,333 1.886,334 12.406,335 3.069,336 4.069,337 3.514,338 6.134,339 3.819,340 2.826,341 3.548,343 9.021,344 2.804,345 3.556,346 3.066,347 4.931,348 3.261,349 2.235,350 3.053,352 5.403,353 2.279,354 3.55,355 2.082,356 4.659,357 3.043,358 2.048,359 2.71,361 5.185,362 2.038,363 3.213,364 1.933,365 4.491,366 2.891,367 1.91,368 2.391,370 4.655,371 1.873,372 2.716,373 1.692,374 3.701,375 2.559,376 1.564,377 1.787,379 3.212,380 1.552,381 2.702,382 1.463,383 3.636,384 2.236,385 1.261,386 1.733,388 2.837,389 1.224,390 2.5,391 1.233,392 3.473,393 2.133,394 1.146,395 1.5,397 2.64,398 1.129,399 2.5,400 1.052,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.469,409 1,410 3.247,411 1.956,412 1,413 1.45,415 2.136,416 0.953,417 1.918,418 1,419 3.2,420 1.808,421 0.82,422 0.867,424 1.774,425 0.807,426 1.468,427 0.658,428 2.836,429 1.294,430 0.322,431 0.351,433 0.737,434 0.311,435 1,436 0.269,437 2.544,438 0.724,439 -0.275,440 -0.293,442 -0.613,443 -0.273,444 0.886,445 0.06,446 2.293,447 0.233,448 -0.725,449 -0.963,451 -1.629,452 -0.675,453 0.735,454 -0.202,455 2.192,456 0.195,457 -0.778,458 -0.987,460 -1.746,461 -0.75,462 12.533,463 0.482,464 0.598,465 0.023,466 31.75,467 1.221,468 16.5,469 0.635,470 15.25,471 0.587,472 22.042,473 0.848,474 29.467,475 0.578,476 23.441,477 0.902,478 5.913,479 0.227,480 6.575,481 0.253,482 0.112,483 0.066,484 0.16,487 0.557,488 1.305,489 0.896,490 1.262,491 0.668,492 1.038,493 0.511,494 1.167,495 0.95,496 1.133,497 0.482,498 1.145,499 0.922,500 1.112,501 1.104,502 1.141,503 0.888,504 1.061,505 1.177,506 1.049,507 1.085,508 1.024,509 1.125,510 1.019,511 1.115,512 0.914,513 1.061,514 0.949,515 1.034,516 0.948,517 1.082,518 0.97,519 1.116,520 1.042,521 1.037,522 0.977,523 1.123,524 0.886,525 1.041,526 0.935,527 1.16,528 0.95,529 0.999,530 1.032,531 0.999,532 1.02,533 0.995,534 1.012,535 5,536 0.14,537 2.889,538 1.375,539 0.68,540 0.785,541 0.508,542 0.316,543 0.238,544 0.154,545 7647,546 22922,547 1.965,548 49,549 8,550 9,552 2,553 3,554 2,555 1,558 1.694,559 1.846,560 3.389,561 0.974,562 1,563 1,567 82.977,568 1.627,569 3.456,570 4.449,571 5.069,572 5.202,573 5.202,574 2.907,575 4.056,576 4.667,577 3.591,578 1167.21,579 8.11,580 15336.2,582 1,584 1,585 289.294,586 1.412,587 4.625,588 0.185,589 0.007,590 0.083,591 0.04,592 0.022,593 0.025,594 0.016,595 0.01,596 0.008,597 0.006,598 0.403,599 0.33,600 0.88,601 1.681,602 128.881,603 0.065,604 -0.026,605 0.198,606 -0.021,607 -0.109,608 0.044,609 0.281,610 -0.038,611 -0.01,612 -0.071,613 0.262,614 -0.12,615 -0.061,616 -0.109,617 -0.045,618 -0.066,619 -0.025,620 -0.043,621 -0.134,622 -0.079,623 -0.058,624 -0.031,625 -0.094,626 -0.045,627 -0.109,628 0.068,629 -0.027,630 0.036,631 -0.081,632 0.02,633 -0.106,634 0.009,635 -0.037,636 -0.001,637 -0.071,638 0.015,639 -0.054,640 0.083,641 -0.046,642 0.05,643 -0.07,644 0.027,645 -0.09,646 -0.058,647 -0.063,648 -0.043,649 -0.078,650 -0.018,651 4.458,652 5.441,653 0.462,654 25.538,655 1.002,656 1.13,657 1.39,658 1.932,659 0.655,660 3.332,661 3.584,662 3.714,663 3.829,664 3.97,665 3.892,666 3.951,667 3.912,668 3.932,669 3.912,670 6.646,671 0.612,672 375.54,673 3.332,674 4.828,675 5.617,676 6.45,677 7.263,678 8.104,679 8.929,680 9.775,681 10.607,682 11.457,683 5.9,685 1,690 1,693 1,699 9,700 1,704 2,706 12,724 51,726 15,727 1,728 27,730 52,731 19,733 11,734 1,735 5,739 2,740 2,751 5,753 12,754 7,755 1,756 3,760 1,761 3,765 1,768 1,769 1,772 25,773 6,774 3,775 7,776 1,779 3,784 1,785 3,795 1,802 2,815 1,832 2,834 1,840 26,841 1,844 1,846 6,847 1,850 1,862 5.9,865 3,869 14.083,870 8.533,871 5.903,872 3.064,874 1.729,875 1.27,876 0.949,877 7.923,878 8.138,879 3.611,880 4.127,881 4.483,882 4.881,883 5.304,884 5.153,885 5.398,886 5.225,887 5.446,888 5.726,889 1,890 34,891 9.848,893 4.274,894 7.99,895 18.341,897 14.847,899 2.49,900 64.75,903 1,904 258.964,905 114.455,906 66.088,908 69.458,910 5.807,911 108.648,912 328.422,913 66.088,915 47.676,916 88.546,917 114.49,918 22.831,920 235.422,922 258.964,923 174.736,924 69.458,925 5.807,927 247.193,928 81.229,931 82.175,932 75.775,933 22.593,935 258.964,936 135.546,937 114.455,939 5.807,940 258.964,941 24.219,942 84.429,943 16.405,944 119.141,945 258.964,946 135.546,947 114.455,949 0.563,950 0.301,951 0.148,952 0.079,953 13,954 6,955 0.212,956 11,958 1,959 3.819,960 194.663,962 12,963 116.211,967 1,968 20.249,969 10.173,970 7,972 135.546,973 15.6,974 4.137,978 1.254,980 49.302,981 508.965,982 36,986 -3.541,987 35.685,991 -0.288,994 51.083,995 57.61,996 0.287,997 0.609,998 0.784,999 0.894,1000 0.917,1001 0.917,1002 4.804,1003 1.146,1004 5.595,1005 2.837,1006 4.263,1007 4.812,1008 1.906,1009 6.365,1010 4.207,1011 5.995,1012 1,1013 7.138,1014 2.64,1015 3.892,1016 4.771,1017 1.593,1018 7.591,1019 3.744,1020 7.31,1021 1,1022 8.817,1023 2.136,1024 5.861,1025 7.03,1026 2.857,1027 10.574,1028 5.702,1029 8.677,1030 0.82,1031 10.587,1032 2.136,1033 6.382,1034 7.893,1035 2.98,1036 12.696,1037 6.084,1038 10.091,1039 0.322,1040 12.42,1041 1.774,1042 7.848,1043 9.686,1044 3.972,1045 15.315,1046 7.53,1047 11.541,1048 -0.275,1049 14.296,1050 0.737,1051 8.764,1052 10.936,1053 4.33,1054 17.704,1055 8.296,1056 13.018,1057 -0.725,1058 16.202,1059 -0.613,1060 10.05,1061 12.569,1062 5.163,1063 20.239,1064 9.535,1065 3.375,1066 -0.778,1067 18.128,1068 -1.629,1069 11.135,1070 13.986,1071 5.648,1072 22.711,1073 10.483,1074 2.826,1075 12.406,1076 20.068,1077 -1.746,1078 12.36,1079 15.562,1080 6.39,1081 25.228,1082 11.637,1083 2.235,1084 9.021,1085 22.018,1086 4.694,1087 13.516,1088 17.051,1089 6.944,1090 27.727,1091 12.668,1092 2.048,1093 5.403,1094 23.976,1095 3.548,1096 14.724,1097 18.606,1098 7.637,1099 30.241,1100 13.789,1101 1.91,1102 5.185,1103 25.94,1104 3.053,1105 15.909,1106 20.126,1107 8.228,1108 32.751,1109 14.859,1110 1.564,1111 4.655,1112 27.908,1113 2.71,1114 17.114,1115 21.675,1116 8.895,1117 35.266,1118 15.968,1119 1.261,1120 3.212,1121 29.88,1122 2.391,1123 18.313,1124 23.209,1125 9.506,1126 37.781,1127 17.057,1128 7755,1129 13562,1130 17.564,1131 33.404,1132 39.007,1133 40.078,1134 39.472,1135 39.029,1136 39.01,1137 51.168,1138 3.772,1139 104.28,1140 38.077,1141 5.799,1142 6.683,1143 7.095,1144 5.332,1145 5.375,1146 7.694,1147 3.272,1148 19.571,1149 5.069,1150 13.284,1151 1.445,1152 1.484,1153 1.462,1154 1.446,1155 1.445,1156 1.895,1157 0.14,1158 3.862,1159 1.41,1160 4.079,1161 4.068,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.912,1167 3.945,1168 3.849,1169 3.828,1170 7.437,1171 3.823,1172 3.742,1173 3.798,1174 3.676,1175 3.603,1176 6.999,1177 3.595,1178 3.646,1179 3.669,1180 3.615,1181 3.552,1182 4.898,1183 3.491,1184 3.514,1185 3.553,1186 3.409,1187 3.353,1188 4.88,1189 3.341,1190 3.273,1191 3.328,1192 3.142,1193 3.077,1194 4.716,1195 3.074,1196 2.966,1197 3.066,1198 2.744,1199 2.735,1200 4.193,1201 2.715,1202 2.854,1203 2.925,1204 2.687,1205 2.705,1206 3.994,1207 2.703,1208 0.179,1209 0.173,1210 0.27,1211 0.159,1212 0.125,1213 4.843,1214 0.174,1215 4.683,1216 0.07,1217 7.293,1218 0.459,1219 4.292,1220 0.114,1221 3.375,1222 4.694,1223 1.886,1224 12.406,1225 3.069,1226 1.965,1227 1.968,1228 2.068,1229 2.055,1230 1.419,1231 2.087,1232 1.896,1233 1.861,1234 1.995,1235 1.993,1236 1.223,1237 2.018,1238 1.733,1239 1.678,1240 1.941,1241 1.903,1242 1.139,1243 1.919,1244 1.555,1245 1.529,1246 1.749,1247 1.748,1248 0.894,1249 1.763,1250 1.432,1251 1.413,1252 1.57,1253 1.645,1254 0.787,1255 1.665,1256 1.214,1257 1.167,1258 1.334,1259 1.439,1260 0.556,1261 1.463,1262 0.935,1263 0.842,1264 1.181,1265 1.236,1266 0.395,1267 1.27,1268 0.886,1269 0.821,1270 1.168,1271 1.062,1272 0.218,1273 1.107,1274 4.007,1276 5.273,1278 6.727,1280 8.266,1282 9.852,1288 5.152,1290 4.022,1291 2.703,1294 0.024,1300 31.191,1301 82.977,1302 176.252,1303 226.887,1304 258.539,1305 265.294,1306 265.294,1307 77.23,1308 6.409,1309 102.15,1310 110.53,1311 12,1312 12.019,1313 4,1314 3.322,1315 54.764,1316 97,1317 114,1318 0.257,1319 201.249,1320 350.14,1321 482.807,1322 4302,1324 18.83,1325 0.724,1326 0.596,1327 19.08,1328 15.49,1329 12.488,1330 0.463,1331 0.378,1332 8.76,1333 11.337,1334 8.46,1335 7.068,1336 13.309,1337 10.201,1338 11.052,1339 0.316,1340 0.228,1341 12.376,1342 7.981,1343 8.043,1344 0.201,1345 0.141,1346 9.134,1347 5.644,1348 6.003,1349 0.133,1350 0.086,1351 6.876,1352 3.867,1353 4.632,1354 0.089,1355 0.053,1356 5.445,1357 2.756,1358 0.405,1359 85.932,1360 0.239,1361 25.463,1362 0.697,1363 124,1364 381.357,1365 171.204,1366 390.362,1367 509.68,1368 356,1369 137,1370 327.134,1371 189.719,1372 368.5,1373 522.34,1374 344,1375 5} {0 CHEMBL541024,1 1.57,2 8.933,3 1.586,4 2.517,5 57.06,6 7.113,7 0.333,8 3.432,9 3.556,10 2.929,11 2.899,12 4.602,13 2.881,14 3.932,15 4.134,16 3.122,17 3.2,18 5.146,19 3.13,20 4.084,21 4.331,22 2.84,23 3.205,24 5.071,25 3.059,26 3.974,27 4.241,28 2.737,29 3.057,30 4.967,31 2.916,32 3.761,33 4.014,34 2.632,35 2.856,36 4.808,37 2.748,38 3.602,39 3.82,40 2.554,41 2.743,42 4.774,43 2.653,44 3.595,45 3.865,46 2.454,47 2.701,48 4.58,49 2.575,50 3.512,51 3.791,52 2.348,53 2.575,54 4.378,55 2.451,56 0.033,57 0.403,58 6.174,59 2.464,60 9.351,61 3.4,62 0.221,63 0.596,64 11.239,65 3.798,66 37.869,67 5.571,68 0.19,69 0.591,70 13.817,71 4.805,72 40.366,73 6.909,74 0.179,75 0.515,76 12.599,77 4.173,78 38.116,79 6.129,80 0.161,81 0.417,82 10.156,83 3.219,84 32.692,85 4.69,86 0.136,87 0.367,88 8.441,89 2.692,90 30.54,91 3.824,92 0.09,93 0.371,94 8.387,95 2.643,96 19.049,97 4.101,98 0.09,99 0.333,100 7.806,101 2.326,102 14.449,103 3.678,104 13,105 17,106 0.307,107 0.668,108 0.856,109 0.883,110 0.883,111 0.883,112 2.787,113 0.984,114 -2.68,115 -2.7,116 -2.63,118 37.9,120 4,124 1,139 2,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 8.845,277 10.111,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.709,286 9.211,287 3.241,288 7.742,289 3.288,290 1.447,291 0.483,292 0.345,293 0.345,294 0.345,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 14.999,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 134,327 3.988,328 3.596,329 5.352,330 3.458,331 2.542,332 3.497,333 2.341,334 6.997,335 2.329,336 3.729,337 2.898,338 4.659,339 3.241,340 2.235,341 2.714,342 0.769,343 5.184,344 2.222,345 3.548,346 2.449,347 3.822,348 2.779,349 1.784,350 2.62,352 3.61,353 1.772,354 2.646,355 1.882,356 3.509,357 2.366,358 1.395,359 1.681,361 2.888,362 1.35,363 2.522,364 1.429,365 3.162,366 2.031,367 1.072,368 1.408,370 2.232,371 1.022,372 2.118,373 1.047,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.683,382 0.656,383 2.652,384 1.511,385 0.526,386 0.579,388 1.09,389 0.515,390 1.182,391 0.618,392 2.131,393 0.85,394 -0.136,395 -0.155,397 -0.292,398 -0.133,399 0.649,400 0.178,401 1.605,402 0.224,403 -0.763,404 -0.928,406 -1.699,407 -0.73,408 0.346,409 -0.468,410 1.059,411 -0.015,412 -1,413 -1.282,415 -2,416 -0.972,417 0.005,418 -0.807,419 1,420 -0.294,421 -1.253,422 -1.48,424 -2.746,425 -1.221,426 -0.118,427 -1.129,428 1,429 -0.61,430 -1.583,431 -1.908,433 -3.358,434 -1.472,435 -0.32,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.427,441 -0.757,442 -4.156,443 -1.546,444 -0.636,445 -1.673,446 0.37,447 -0.865,448 -1.838,449 -2.491,450 -0.769,451 -4.372,452 -1.773,453 -0.842,454 -1.758,455 0.133,456 -1.024,457 -1.982,458 -2.754,459 -1.584,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 16.75,467 1.117,468 7.5,469 0.5,470 9.25,471 0.617,472 9.827,473 0.655,474 17.033,475 0.587,476 9.353,477 0.624,478 3.404,479 0.227,480 3.884,481 0.259,482 0.096,484 0.129,487 0.828,488 1.548,489 0.86,490 1.246,491 0.698,492 1.089,493 0.593,494 1.102,495 0.99,496 1.106,497 0.426,498 1.103,499 0.909,500 1.019,501 1.09,502 1.108,503 1.021,504 1.14,505 0.866,506 0.896,507 0.94,508 0.942,509 0.944,510 0.96,511 1.071,512 0.873,513 0.954,514 0.874,515 1.149,516 0.895,517 1.285,518 1.047,519 1.144,520 1.049,521 1.22,522 1.074,523 0.627,524 1.034,525 0.903,526 1.035,527 0.383,528 1.007,529 0.675,530 1.019,531 0.886,532 0.996,533 0.55,534 0.964,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6500,547 1.925,548 48.3,549 6,550 2,551 1,552 2,553 1,554 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 45.525,568 1.57,569 3.411,570 4.375,571 4.513,572 4.513,573 4.513,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 140.881,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.075,604 -0.306,605 0.005,606 -0.11,607 -0.031,608 -0.054,609 0.171,610 0.03,611 -0.079,612 -0.098,613 0.214,614 -0.125,615 -0.102,616 -0.093,617 -0.157,618 -0.102,619 -0.146,620 -0.138,621 -0.061,622 -0.003,623 0.01,624 0.037,625 -0.094,626 0.036,627 -0.118,628 0.036,629 0.017,630 0.093,631 -0.151,632 0.082,633 -0.206,634 -0.081,635 -0.177,636 -0.067,637 -0.09,638 -0.111,639 0.003,640 -0.069,641 0.028,642 -0.082,643 0.147,644 -0.022,645 0.001,646 -0.071,647 0.061,648 -0.069,649 0.003,650 0.006,651 2.402,652 3.197,653 0.333,654 11.271,655 1.006,656 1.135,657 1.454,658 2.114,659 0.638,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.608,672 206.27,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.9,691 1,693 1,699 3,700 1,705 1,706 5,724 29,726 7,728 15,730 29,731 11,733 3,739 1,740 1,751 4,752 2,753 4,754 5,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,809 2,818 1,830 1,832 1,840 15,845 1,846 5,853 1,860 2,862 6.9,864 1,865 1,869 8.167,870 5.017,871 3.583,872 1.757,874 1.664,875 1.324,876 0.875,877 5.39,878 6.806,879 3.068,880 3.442,881 3.698,882 4.104,883 3.977,884 4.188,885 4.49,886 4.456,887 4.42,888 4.523,889 0.833,890 12,891 5.49,892 -0.001,893 2.109,894 8.044,895 10.314,897 7.568,898 -0.001,899 2.544,900 38.167,901 0.003,904 153.024,905 73.928,906 18.685,908 67.828,911 73.928,912 220.853,913 18.685,915 12.244,916 9.047,917 117.684,918 10.947,919 45.832,920 117.711,922 153.024,923 92.613,924 67.828,927 153.024,928 67.828,931 31.809,932 9.957,933 50.847,935 153.024,936 86.513,937 73.928,940 153.024,941 13.154,942 28.613,943 34.061,944 84.614,945 153.024,946 86.513,947 73.928,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.172,956 5,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.645,969 6.942,970 5.794,972 84.614,973 5.298,974 3.9,979 1.893,980 42.683,981 313.466,982 20.5,987 10.197,991 -0.735,994 29.16,995 32.907,996 0.323,997 0.702,998 0.901,999 0.929,1000 0.929,1001 0.929,1002 4.208,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.119,1008 2.374,1009 5.252,1010 3.479,1011 5.351,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.588,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 6.033,1026 3.647,1027 8.47,1028 4.674,1029 7.857,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.411,1038 9.151,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.168,1044 5.204,1045 12.016,1046 6.068,1047 10.462,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.694,1053 5.889,1054 13.616,1055 6.224,1056 11.783,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.428,1062 6.849,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.238,1071 7.625,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.773,1080 8.526,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.497,1087 10.412,1088 13.758,1089 9.342,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.714,1096 11.465,1097 15.176,1098 10.216,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 2.62,1105 12.261,1106 16.268,1107 11.051,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.681,1114 13.26,1115 17.618,1116 11.912,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.408,1123 14.107,1124 18.774,1125 12.755,1126 29.19,1127 13.036,1128 2036,1129 3808,1130 9.822,1131 18.489,1132 21.335,1133 21.363,1134 20.581,1135 20.346,1136 20.347,1137 26.851,1138 6.221,1139 46.746,1140 19.576,1141 4.83,1142 5.354,1143 5.22,1144 4.482,1145 4.524,1146 6.251,1147 3.925,1148 11.747,1149 4.268,1150 6.767,1151 1.422,1152 1.424,1153 1.372,1154 1.356,1155 1.356,1156 1.79,1157 0.415,1158 3.116,1159 1.305,1160 3.93,1161 3.996,1162 3.87,1163 3.745,1164 7.474,1165 3.764,1166 3.74,1167 3.791,1168 3.618,1169 3.594,1170 6.351,1171 3.593,1172 3.485,1173 3.513,1174 3.406,1175 3.339,1176 4.975,1177 3.346,1178 3.179,1179 3.225,1180 3.048,1181 2.967,1182 4.669,1183 2.979,1184 2.825,1185 2.899,1186 2.614,1187 2.548,1188 3.96,1189 2.556,1190 2.497,1191 2.589,1192 2.283,1193 2.297,1194 3.572,1195 2.284,1196 2.419,1197 2.523,1198 2.21,1199 2.13,1200 3.336,1201 2.136,1202 2.169,1203 2.296,1204 1.864,1205 1.817,1206 3.228,1207 1.806,1208 0.266,1209 0.24,1210 0.357,1211 0.231,1212 0.169,1213 3.988,1214 0.233,1215 3.596,1216 0.156,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.497,1223 2.341,1224 6.997,1225 2.329,1226 1.769,1227 1.721,1228 1.981,1229 1.925,1230 1.29,1231 1.942,1232 1.609,1233 1.553,1234 1.786,1235 1.825,1236 0.933,1237 1.817,1238 1.366,1239 1.32,1240 1.581,1241 1.586,1242 0.784,1243 1.579,1244 1.284,1245 1.216,1246 1.472,1247 1.525,1248 0.438,1249 1.512,1250 1.009,1251 0.966,1252 1.23,1253 1.255,1254 0.255,1255 1.246,1256 0.69,1257 0.613,1258 1.064,1259 1.024,1260 0.166,1261 1.045,1262 0.353,1263 0.249,1264 0.803,1265 0.744,1267 0.787,1268 0.092,1270 0.658,1271 0.486,1273 0.552,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.395,1290 3.211,1299 6.007,1300 17.633,1301 45.525,1302 98.907,1303 126.881,1304 130.881,1305 130.881,1306 130.881,1307 25.502,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3,1314 2.7,1315 31.761,1316 51,1317 38,1318 0.299,1319 115.837,1320 201.98,1321 274.402,1322 894,1324 10.933,1325 0.729,1326 0.568,1327 10.933,1328 8.517,1329 7.288,1330 0.486,1331 0.328,1332 4.846,1333 6.962,1334 4.75,1335 3.981,1336 7.288,1337 4.921,1338 5.889,1339 0.346,1340 0.188,1341 5.889,1342 3.189,1343 3.869,1344 0.228,1345 0.111,1346 3.869,1347 1.888,1348 2.815,1349 0.156,1350 0.061,1351 2.815,1352 1.105,1353 1.559,1354 0.111,1355 0.039,1356 1.559,1357 0.547,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 233.175,1365 71.953,1366 223.208,1367 283.86,1368 206,1369 66,1370 186.596,1371 72.682,1372 188.763,1373 261.2,1374 175,1375 7.523} {0 CHEMBL541097,1 1.528,2 15.278,3 5.414,4 29.307,5 141.052,6 7.616,7 0.59,8 4.263,9 4.363,10 3.963,11 3.892,12 5.338,13 3.834,14 4.798,15 4.944,16 4.233,17 4.285,18 6.057,19 4.198,20 5.108,21 5.313,22 4.271,23 4.444,24 6.123,25 4.318,26 5.184,27 5.405,28 4.206,29 4.42,30 6.211,31 4.281,32 5.18,33 5.421,34 4.187,35 4.385,36 6.154,37 4.237,38 5.117,39 5.347,40 4.228,41 4.359,42 6.129,43 4.215,44 5.094,45 5.302,46 4.247,47 4.338,48 6.256,49 4.217,50 5.069,51 5.277,52 4.174,53 4.288,54 6.216,55 4.174,56 0.093,57 0.894,58 16.093,59 6.773,60 21.415,61 8.187,62 0.385,63 1.463,64 26.013,65 11.394,66 79.802,67 14.406,68 0.273,69 1.923,70 41.114,71 16.365,72 71.607,73 20.521,74 0.41,75 2.043,76 44.659,77 16.758,78 98.349,79 21.157,80 0.463,81 2.042,82 45.467,83 16.607,84 92.432,85 21.252,86 0.377,87 1.926,88 45.133,89 16.321,90 84.877,91 20.308,92 0.511,93 1.862,94 43.822,95 15.651,96 109.832,97 18.733,98 0.401,99 1.803,100 41.305,101 14.825,102 93.94,103 17.907,104 23,105 53,106 0.239,107 0.541,108 0.71,109 0.853,110 0.88,111 0.89,112 3.615,113 1.047,114 -4.77,115 -4.68,116 -4.4,118 43.9,120 5,121 1,124 1,140 13,141 5,142 1,143 2,154 1,163 1,167 1,168 24,169 1,171 1,172 3,175 3,177 2,180 29,181 1,186 7,191 5,194 28,195 1,198 8,203 5,206 21,207 1,210 8,213 1,215 4,218 18,219 1,222 8,227 3,229 18,230 1,233 2,234 10,239 4,242 17,243 1,247 10,252 3,253 1,255 14,256 1,259 9,260 1,262 1,263 1,264 3,267 12,268 1,270 2760,271 24.283,272 24.283,273 24.283,274 24.283,275 24.283,276 21.159,277 10.618,278 14.658,279 24.515,280 19.275,281 19.275,282 19.275,283 19.275,284 19.275,285 14.586,286 5.844,287 6.983,288 19.662,289 4.516,290 2.588,291 1.509,292 0.599,293 0.424,294 0.364,295 4.311,300 1,301 1179,302 4.69,306 518.319,310 202.873,313 2.444,314 40.893,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 77,326 550,327 4.846,328 4.683,329 7.294,330 4.298,331 3.379,332 4.698,333 2.341,334 12.408,335 3.084,336 4.443,337 3.596,338 6.285,339 3.987,340 2.988,341 4.359,343 9.557,344 2.979,345 4.073,346 3.066,347 6.134,348 3.819,349 2.826,350 3.66,352 9.021,353 2.805,354 4.054,355 2.99,356 5.987,357 3.641,358 2.641,359 3.547,361 8.524,362 2.638,363 3.55,364 2.646,365 4.933,366 3.24,367 2.235,368 2.8,370 5.42,371 2.222,372 3.401,373 2.014,374 4.659,375 2.935,376 1.953,377 2.71,379 5.185,380 1.919,381 3.211,382 1.885,383 4.508,384 2.861,385 1.869,386 2.427,388 4.675,389 1.851,390 3.118,391 1.689,392 4.462,393 2.618,394 1.618,395 2.391,397 4.427,398 1.618,399 2.967,400 1.618,401 4.29,402 2.557,403 1.565,404 2.183,406 3.865,407 1.547,408 2.736,409 1.538,410 3.657,411 2.471,412 1.475,413 1.842,415 3.205,416 1.468,417 2.711,418 1.342,419 3.61,420 2.246,421 1.257,422 1.736,424 2.937,425 1.24,426 2.5,427 1.237,428 3.517,429 2.148,430 1.166,431 1.5,433 2.69,434 1.142,435 2.5,436 1.079,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.471,445 1,446 3.292,447 1.956,448 1,449 1.454,451 2.136,452 0.953,453 2.156,454 1,455 3.247,456 1.811,457 0.828,458 0.986,460 1.793,461 0.809,462 17.467,463 0.485,464 0.837,465 0.023,466 47.75,467 1.326,468 26.5,469 0.736,470 21.25,471 0.59,472 31.357,473 0.871,474 38.333,475 0.581,476 38.827,477 1.079,478 9.016,479 0.25,480 8.404,481 0.233,482 0.076,483 0.048,484 0.229,487 0.578,488 1.132,489 0.844,490 1.117,491 0.673,492 0.938,493 0.465,494 1.065,495 0.926,496 1.044,497 0.448,498 1.056,499 0.824,500 1.058,501 1.071,502 1.08,503 0.796,504 1.027,505 1.068,506 1.065,507 1.107,508 1.047,509 1.053,510 1.067,511 0.998,512 0.902,513 1.015,514 0.917,515 0.973,516 0.951,517 0.98,518 0.988,519 1.111,520 1.044,521 0.968,522 0.954,523 1.24,524 0.996,525 1.224,526 1.065,527 1.282,528 0.974,529 1.348,530 1.065,531 1.187,532 1.076,533 1.382,534 1.016,535 7,536 0.273,537 4.444,538 1.75,539 1.329,540 1.285,541 0.852,542 0.502,543 0.427,544 0.361,545 21593,546 58955,547 2.066,548 45.5,549 8,550 15,552 2,553 2,554 2,555 1,558 1.773,559 1.955,560 3.859,561 0.121,567 100.842,568 1.528,569 3.456,570 4.535,571 5.446,572 5.62,573 5.681,574 3.388,575 4.76,576 5.137,577 4.075,578 2567.39,579 9.027,580 43329.5,585 398.93,586 1.391,587 5.105,588 0.179,589 0.007,590 0.084,591 0.032,592 0.028,593 0.028,594 0.018,595 0.01,596 0.009,597 0.009,598 0.405,599 0.17,600 0.75,601 1.357,602 200.278,603 0.056,604 -0.012,605 0.169,606 0.001,607 -0.101,608 0.052,609 0.282,610 0.005,611 -0.02,612 -0.038,613 0.266,614 -0.084,615 -0.047,616 -0.056,617 -0.044,618 -0.034,619 -0.017,620 -0.018,621 -0.118,622 -0.068,623 -0.102,624 -0.054,625 -0.098,626 -0.082,627 -0.077,628 0.099,629 0.009,630 0.07,631 -0.086,632 0.038,633 -0.051,634 0.017,635 0.04,636 0.034,637 -0.038,638 0.055,639 -0.058,640 0.025,641 -0.052,642 0.01,643 -0.051,644 0.007,645 -0.146,646 -0.056,647 -0.089,648 -0.049,649 -0.129,650 -0.046,651 4.608,652 6.05,653 0.611,654 48.852,655 0.999,656 1.115,657 3.542,658 12.544,659 0.684,660 3.689,661 3.989,662 4.205,663 4.394,664 4.625,665 4.691,666 4.836,667 4.883,668 5.011,669 5.088,670 8.892,671 0.643,672 502.68,673 3.689,674 5.22,675 6.047,676 6.907,677 7.753,678 8.619,679 9.475,680 10.344,681 11.206,682 12.079,683 3,685 1,693 1,698 2,699 15,700 1,704 4,706 23,724 66,726 26,727 3,728 39,730 69,731 29,733 21,734 5,735 11,739 4,740 5,751 5,753 22,754 7,755 1,756 3,760 1,761 3,765 1,772 30,773 6,774 2,775 7,776 1,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,840 36,844 1,845 1,846 6,847 1,850 1,862 6.1,864 1,865 3,869 18.417,870 11.4,871 7.958,872 4.044,874 4.065,875 1.514,876 0.976,877 8.611,878 11.973,879 3.998,880 4.6,881 5.119,882 5.659,883 6.238,884 6.515,885 6.992,886 7.342,887 7.814,888 8.132,889 1,890 54,891 13.604,893 6.024,894 7.873,895 25.59,897 21.358,899 2.373,900 85.417,904 329.591,905 179.035,906 33.191,908 112.141,910 5.807,911 173.228,912 441.732,913 33.191,915 14.778,916 145.404,917 153.379,918 34.348,920 306.049,922 329.591,923 206.418,924 112.141,925 5.807,927 317.82,928 123.912,931 49.278,932 140.354,933 22.593,935 329.591,936 145.332,937 179.035,939 5.807,940 329.591,941 31.942,942 141.286,943 16.405,944 128.927,945 329.591,946 145.332,947 179.035,949 0.575,950 0.32,951 0.161,952 0.088,953 23,954 10,955 0.174,956 12,957 1,958 1.091,959 4.758,960 325.752,961 0.091,962 22,963 180.117,967 1,968 25.721,969 12.052,970 7.09,971 2.299,972 145.332,973 28.52,974 4.178,978 3.169,980 59.088,981 653.958,982 53.5,986 -3.692,987 36.834,991 -0.793,994 65.96,995 73.567,996 0.253,997 0.572,998 0.75,999 0.901,1000 0.93,1001 0.94,1002 5.214,1003 1.618,1004 6.033,1005 4.675,1006 4.673,1007 5.288,1008 2.258,1009 6.832,1010 4.632,1011 6.429,1012 1.565,1013 7.59,1014 4.427,1015 4.29,1016 5.223,1017 2.243,1018 7.953,1019 4.183,1020 7.754,1021 1.475,1022 9.266,1023 3.865,1024 6.29,1025 7.569,1026 3.628,1027 10.966,1028 6.183,1029 9.124,1030 1.257,1031 11.02,1032 3.205,1033 6.77,1034 8.37,1035 4.112,1036 12.967,1037 6.568,1038 10.535,1039 1.166,1040 12.827,1041 2.937,1042 8.247,1043 10.213,1044 5.201,1045 15.573,1046 8.038,1047 11.974,1048 1,1049 14.67,1050 2.69,1051 9.115,1052 11.402,1053 5.889,1054 17.886,1055 8.802,1056 13.437,1057 1,1058 16.541,1059 2.275,1060 10.395,1061 13.051,1062 6.849,1063 20.396,1064 10.053,1065 3.379,1066 0.828,1067 18.432,1068 2.136,1069 11.438,1070 14.419,1071 7.625,1072 22.825,1073 10.995,1074 2.988,1075 12.408,1076 20.338,1077 1.793,1078 12.648,1079 15.99,1080 8.526,1081 25.32,1082 12.154,1083 2.826,1084 9.557,1085 22.257,1086 4.698,1087 13.77,1088 17.441,1089 9.342,1090 27.796,1091 13.178,1092 2.641,1093 9.021,1094 24.186,1095 4.359,1096 14.96,1097 18.982,1098 10.216,1099 30.296,1100 14.299,1101 2.235,1102 8.524,1103 26.124,1104 3.66,1105 16.12,1106 20.473,1107 11.051,1108 32.793,1109 15.363,1110 1.953,1111 5.42,1112 28.069,1113 3.547,1114 17.307,1115 22.004,1116 11.912,1117 35.3,1118 16.47,1119 1.869,1120 5.185,1121 30.019,1122 2.8,1123 18.486,1124 23.515,1125 12.755,1126 37.807,1127 17.553,1128 20603,1129 34190,1130 26.118,1131 45.137,1132 57.606,1133 58.969,1134 58.262,1135 57.608,1136 57.571,1137 78.032,1138 4.682,1139 160.815,1140 56.497,1141 5.802,1142 6.683,1143 7.096,1144 5.356,1145 5.379,1146 7.698,1147 3.925,1148 19.596,1149 5.084,1150 16.617,1151 1.477,1152 1.512,1153 1.494,1154 1.477,1155 1.476,1156 2.001,1157 0.12,1158 4.123,1159 1.449,1160 4.138,1161 4.146,1162 4.735,1163 4.115,1164 7.717,1165 4.084,1166 4.023,1167 4.022,1168 4.048,1169 3.998,1170 7.474,1171 3.936,1172 3.913,1173 3.942,1174 3.849,1175 3.83,1176 6.999,1177 3.825,1178 3.735,1179 3.786,1180 3.702,1181 3.607,1182 6.351,1183 3.591,1184 3.671,1185 3.682,1186 3.607,1187 3.594,1188 4.928,1189 3.548,1190 3.509,1191 3.544,1192 3.401,1193 3.357,1194 4.889,1195 3.354,1196 3.379,1197 3.42,1198 3.294,1199 3.283,1200 4.664,1201 3.259,1202 3.244,1203 3.275,1204 3.128,1205 3.051,1206 4.264,1207 3.051,1208 0.124,1209 0.12,1210 0.187,1211 0.11,1212 0.087,1213 4.846,1214 0.12,1215 4.683,1216 0.06,1217 7.294,1218 0.318,1219 4.298,1220 0.079,1221 3.379,1222 4.698,1223 2.341,1224 12.408,1225 3.084,1226 2.097,1227 2.083,1228 2.172,1229 2.144,1230 1.419,1231 2.16,1232 1.948,1233 1.947,1234 2.067,1235 2.046,1236 1.316,1237 2.07,1238 1.892,1239 1.859,1240 1.964,1241 1.975,1242 1.218,1243 2.003,1244 1.728,1245 1.675,1246 1.937,1247 1.894,1248 1.136,1249 1.911,1250 1.579,1251 1.573,1252 1.741,1253 1.743,1254 0.891,1255 1.761,1256 1.476,1257 1.435,1258 1.614,1259 1.64,1260 0.81,1261 1.66,1262 1.35,1263 1.321,1264 1.547,1265 1.522,1266 0.701,1267 1.542,1268 1.176,1269 1.144,1270 1.291,1271 1.384,1272 0.516,1273 1.403,1274 4.369,1276 5.673,1278 7.172,1280 8.758,1282 10.39,1289 8.821,1290 3.36,1291 2.767,1294 -0.046,1300 42.464,1301 100.842,1302 228.115,1303 299.315,1304 359.42,1305 370.93,1306 374.93,1307 88.486,1308 7.908,1309 96.36,1310 104.74,1311 24,1312 12.623,1313 4.755,1314 3.954,1315 62.279,1316 190,1317 196,1318 0.153,1319 264.95,1320 461.21,1321 638.239,1322 33088,1324 25.382,1325 0.705,1326 0.578,1327 25.632,1328 20.824,1329 17.421,1330 0.447,1331 0.349,1332 12.166,1333 16.236,1334 11.787,1335 9.793,1336 18.242,1337 13.612,1338 15.707,1339 0.296,1340 0.202,1341 17.03,1342 10.682,1343 12.456,1344 0.189,1345 0.118,1346 13.548,1347 7.806,1348 9.829,1349 0.123,1350 0.068,1351 10.683,1352 5.418,1353 7.97,1354 0.079,1355 0.039,1356 8.768,1357 3.954,1358 0.248,1359 115.817,1360 0.196,1361 33.661,1362 0.401,1363 184,1364 522.195,1365 232.391,1366 532.157,1367 712.98,1368 490,1369 211,1370 483.319,1371 264.382,1372 530.2,1373 762.53,1374 498,1375 7.187} {0 CHEMBL541519,1 1.658,2 7.176,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.729,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.27,19 3.281,20 4.106,21 4.27,22 3.263,23 3.319,24 5.323,25 3.262,26 4.094,27 4.313,28 3.164,29 3.275,30 5.066,31 3.203,32 4.021,33 4.215,34 3.254,35 3.279,36 5.145,37 3.232,38 4.114,39 4.326,40 3.218,41 3.192,42 5.343,43 3.156,44 3.923,45 4.14,46 2.765,47 2.878,48 5.198,49 2.798,50 3.512,51 3.794,52 2.289,53 2.354,54 4.72,55 2.275,56 0.086,57 0.411,58 5.241,59 2.477,60 9.688,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 35.222,67 4.478,68 0.455,69 0.643,70 12.585,71 4.749,72 48.05,73 5.898,74 0.337,75 0.639,76 13.488,77 4.684,78 26.249,79 6.291,80 0.193,81 0.623,82 11.403,83 4.495,84 17.661,85 5.949,86 0.348,87 0.622,88 13.834,89 4.457,90 32.854,91 5.907,92 0.425,93 0.474,94 12.168,95 3.523,96 48.315,97 4.568,98 0.209,99 0.303,100 8.733,101 2.271,102 24.553,103 3.34,104 8,105 23,106 0.32,107 0.699,108 0.843,109 0.896,110 0.909,111 0.909,112 2.907,113 0.856,114 -2.28,115 -2.31,116 -2.28,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 3,173 1,175 1,180 4,185 1,186 3,189 1,194 2,197 1,198 4,207 2,210 4,215 2,219 2,221 1,222 4,223 1,227 2,230 1,233 1,234 2,237 1,239 1,248 1,258 1,262 1,270 345,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.903,277 12.805,278 7.145,279 11.777,280 8.921,281 8.921,282 8.921,283 8.921,284 8.921,285 6.64,286 17.724,287 3.439,288 9.395,289 3.2,290 1.229,291 0.483,292 0.207,293 0.138,294 0.138,295 3.561,299 1,300 1,301 251,302 2.739,305 44.339,306 57.97,313 1.149,314 17.414,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 122,327 4.232,328 3.63,329 6.168,330 3.851,331 2.89,332 3.834,333 2.423,334 9.173,335 2.779,336 3.868,337 3.16,338 5.335,339 3.38,340 2.463,341 3.435,342 0.922,343 6.921,344 2.254,345 3.535,346 2.612,347 4.675,348 3.173,349 2.186,350 2.704,351 0.522,352 5.194,353 2.127,354 2.917,355 2.012,356 4.304,357 2.516,358 1.559,359 2.095,361 4.101,362 1.488,363 2.91,364 1.557,365 3.632,366 2.443,367 1.458,368 2.048,370 3.066,371 1.426,372 2.552,373 1.237,374 3.39,375 2.043,376 1.11,377 1.573,379 2.467,380 1.034,381 2.118,382 1.16,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 1.852,391 0.618,392 2.947,393 1.51,394 0.6,395 0.711,397 1.315,398 0.536,399 1.236,400 0.533,401 2.62,402 0.913,403 -0.039,404 -0.048,406 -0.096,407 -0.037,408 0.723,409 0.268,410 2,411 0.313,412 -0.641,413 -0.78,415 -1.6,416 -0.593,417 0.471,418 -0.261,419 1.911,420 0.026,421 -0.946,422 -1.255,424 -2,425 -0.916,426 0.443,427 -0.76,428 1.486,429 -0.004,430 -1,431 -1.34,433 -2.304,434 -0.96,435 -0.054,436 -0.88,437 1.132,438 -0.299,439 -1.254,440 -1.682,442 -3.307,443 -1.239,444 -0.118,445 -1.349,446 1,447 -0.586,448 -1.543,449 -2.051,451 -3.535,452 -1.45,453 -0.121,454 -1.388,455 1,456 -0.706,457 -1.618,458 -2.144,459 -0.459,460 -4.372,461 -1.498,462 7.8,463 0.459,464 0.332,465 0.02,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.344,473 0.55,474 18.6,475 0.641,476 14.837,477 0.873,478 5.024,479 0.296,480 3.23,481 0.19,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.739,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.51,498 0.937,499 0.903,500 1.08,501 1.151,502 1.146,503 0.944,504 1.209,505 0.831,506 0.89,507 0.952,508 0.908,509 0.461,510 0.953,511 0.688,512 1.173,513 0.829,514 1.153,515 0.541,516 1.049,517 1.029,518 1.018,519 0.954,520 1.03,521 0.994,522 0.98,523 1.349,524 0.914,525 1.309,526 0.972,527 1.881,528 1.117,529 1.058,530 0.801,531 0.906,532 0.829,533 1.262,534 0.81,535 3,537 1.333,538 0.597,539 0.577,540 0.375,541 0.207,542 0.174,543 0.068,544 0.049,545 2297,546 8096,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.571,559 1.925,560 2.903,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.375,571 4.651,572 4.72,573 4.72,574 2.278,575 3.617,576 4.057,577 3.021,578 410.799,579 6.871,580 3813.23,582 1,585 140.881,586 1.261,587 4.03,588 0.167,590 0.058,591 0.031,592 0.032,593 0.019,594 0.011,595 0.017,596 0.011,597 0.012,598 0.359,599 0.5,600 1,601 1.325,602 70.683,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.096,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.148,614 -0.034,615 0.083,616 -0.111,617 -0.234,618 -0.143,619 -0.042,620 -0.249,621 -0.033,622 0.063,623 0.007,624 0.079,625 0.005,626 0.056,627 0.001,628 -0.182,629 0.068,630 -0.137,631 0.071,632 -0.037,633 -0.051,634 -0.083,635 0.044,636 -0.081,637 -0.018,638 -0.007,639 -0.142,640 -0.033,641 -0.253,642 -0.057,643 -0.313,644 -0.174,645 -0.073,646 0.037,647 0.219,648 0.061,649 0.005,650 0.202,651 2.651,652 3.461,653 0.647,654 11.336,655 1.021,656 1.128,657 1.047,658 1.096,659 0.661,660 2.944,661 3.178,662 3.332,663 3.526,664 3.611,665 3.584,666 3.584,667 3.555,668 3.367,669 3.091,670 4.63,671 0.649,672 232.26,673 2.944,674 4.419,675 5.209,676 6.038,677 6.853,678 7.688,679 8.514,680 9.352,681 10.183,682 11.022,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.861,872 1.507,874 2.139,875 1.365,876 0.918,877 3.778,878 8.003,879 3.239,880 3.755,881 4.192,882 4.686,883 4.978,884 5.075,885 5.379,886 5.668,887 5.815,888 5.826,889 0.8,890 19,891 6.221,893 2.534,894 8.059,895 11.512,897 8.814,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.558,950 0.296,951 0.158,952 0.084,953 10,954 4,955 0.167,956 5,958 1,959 3.014,960 109.102,962 11,963 69.487,968 11.674,969 5.501,970 3.326,972 95.614,973 12.601,974 3.95,978 1.51,979 1.892,980 42.683,981 307.65,982 24.5,987 10.461,991 -0.984,994 29.604,995 32.701,996 0.341,997 0.747,998 0.901,999 0.957,1000 0.972,1001 0.972,1002 4.404,1003 0.6,1004 5.142,1005 1.372,1006 3.85,1007 4.437,1008 2.546,1009 5.832,1010 3.75,1011 5.569,1012 -0.039,1013 6.619,1014 1.315,1015 3.219,1016 3.98,1017 2.243,1018 6.503,1019 3.088,1020 6.828,1021 -0.641,1022 8.196,1023 -0.096,1024 5.313,1025 6.504,1026 3.839,1027 9.552,1028 5.115,1029 8.123,1030 -0.946,1031 9.836,1032 -1.6,1033 5.525,1034 6.898,1035 4.238,1036 11.114,1037 5.285,1038 9.448,1039 -1,1040 11.519,1041 -2,1042 7.043,1043 8.83,1044 5.437,1045 13.637,1046 6.755,1047 10.794,1048 -1.254,1049 13.231,1050 -2.304,1051 7.663,1052 9.638,1053 6.111,1054 15.565,1055 7.33,1056 12.155,1057 -1.543,1058 14.966,1059 -3.307,1060 8.926,1061 11.294,1062 7.138,1063 17.9,1064 8.555,1065 2.89,1066 -1.618,1067 16.717,1068 -3.535,1069 9.755,1070 12.324,1071 7.928,1072 19.988,1073 9.339,1074 2.463,1075 9.173,1076 18.481,1077 -4.372,1078 10.899,1079 13.838,1080 8.878,1081 22.25,1082 10.452,1083 2.186,1084 6.921,1085 20.255,1086 3.834,1087 11.836,1088 14.992,1089 9.719,1090 24.407,1091 11.346,1092 1.559,1093 5.194,1094 22.037,1095 3.435,1096 12.927,1097 16.429,1098 10.635,1099 26.641,1100 12.406,1101 1.458,1102 4.101,1103 23.826,1104 2.704,1105 13.92,1106 17.653,1107 11.499,1108 28.829,1109 13.359,1110 1.11,1111 3.066,1112 25.619,1113 2.095,1114 14.988,1115 19.047,1116 12.399,1117 31.052,1118 14.396,1119 0.618,1120 2.467,1121 27.416,1122 2.048,1123 16.011,1124 20.315,1125 13.274,1126 33.255,1127 15.379,1128 2356,1129 4499,1130 12.019,1131 19.182,1132 26.189,1133 26.298,1134 26.143,1135 25.738,1136 25.769,1137 34.653,1138 7.733,1139 67.218,1140 24.441,1141 5.071,1142 5.63,1143 5.855,1144 4.908,1145 4.89,1146 6.834,1147 4.104,1148 15.421,1149 4.779,1150 7.058,1151 1.455,1152 1.461,1153 1.452,1154 1.43,1155 1.432,1156 1.925,1157 0.43,1158 3.734,1159 1.358,1160 3.995,1161 4.042,1162 3.938,1163 3.88,1164 7.474,1165 3.886,1166 3.805,1167 3.848,1168 3.746,1169 3.63,1170 6.351,1171 3.655,1172 3.525,1173 3.528,1174 3.452,1175 3.25,1176 4.968,1177 3.295,1178 3.081,1179 3.153,1180 2.938,1181 2.944,1182 4.806,1183 2.933,1184 2.904,1185 2.928,1186 2.805,1187 2.715,1188 4.293,1189 2.721,1190 2.636,1191 2.7,1192 2.449,1193 2.367,1194 3.808,1195 2.37,1196 2.487,1197 2.579,1198 2.275,1199 2.233,1200 3.504,1201 2.241,1202 2.395,1203 2.491,1204 2.204,1205 2.079,1206 3.344,1207 2.108,1208 0.235,1209 0.202,1210 0.343,1211 0.214,1212 0.161,1213 4.232,1214 0.213,1215 3.63,1216 0.135,1217 6.168,1218 0.51,1219 3.851,1220 0.154,1221 2.89,1222 3.834,1223 2.423,1224 9.173,1225 2.779,1226 1.913,1227 1.889,1228 2.025,1229 2.023,1230 1.179,1231 2.024,1232 1.507,1233 1.443,1234 1.679,1235 1.743,1236 0.802,1237 1.723,1238 1.382,1239 1.367,1240 1.581,1241 1.671,1242 0.697,1243 1.638,1244 1.293,1245 1.224,1246 1.472,1247 1.525,1248 0.441,1249 1.513,1250 0.923,1251 0.86,1252 1.186,1253 1.117,1254 0.226,1255 1.144,1256 0.84,1257 0.802,1258 1.095,1259 1.091,1260 0.158,1261 1.073,1262 0.459,1263 0.401,1264 0.815,1265 0.891,1267 0.894,1268 0.313,1269 0.214,1270 0.742,1271 0.627,1273 0.676,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.79,1281 6.26,1282 9.348,1289 8.582,1290 0.275,1292 5.214,1300 18.821,1301 48.087,1302 105.23,1303 126.881,1304 134.881,1305 136.881,1306 136.881,1307 22.73,1308 5.864,1309 64.35,1310 64.35,1311 11,1312 11.59,1313 3.7,1314 2.907,1315 28.324,1316 45,1317 43,1318 0.306,1319 119.105,1320 202.17,1321 282.375,1322 2190,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.254,1330 0.459,1331 0.285,1332 5.03,1333 7.809,1334 4.94,1335 4.107,1336 8.254,1337 5.137,1338 7.162,1339 0.311,1340 0.153,1341 7.162,1342 3.525,1343 5.292,1344 0.196,1345 0.083,1346 5.292,1347 2.236,1348 4.196,1349 0.127,1350 0.045,1351 4.196,1352 1.492,1353 3.036,1354 0.084,1355 0.025,1356 3.036,1357 0.904,1358 0.467,1359 52.699,1360 0.288,1361 17.24,1362 0.874,1363 82,1364 304.911,1365 93.496,1366 286.262,1367 374.46,1368 266,1369 91,1370 259.051,1371 102.056,1372 260.36,1373 370.92,1374 242,1375 6.678} {0 CHEMBL541522,1 1.57,2 8.933,3 1.306,4 1.705,5 60.137,6 7.113,7 0.333,8 3.432,9 3.556,10 2.929,11 2.899,12 4.62,13 2.881,14 3.897,15 4.086,16 3.121,17 3.188,18 5.167,19 3.124,20 4.078,21 4.336,22 2.834,23 3.201,24 5.014,25 3.051,26 4.019,27 4.297,28 2.746,29 3.104,30 4.924,31 2.949,32 3.892,33 4.161,34 2.66,35 2.989,36 4.842,37 2.843,38 3.769,39 4.041,40 2.561,41 2.845,42 4.717,43 2.711,44 3.596,45 3.841,46 2.461,47 2.653,48 4.676,49 2.556,50 3.429,51 3.664,52 2.346,53 2.465,54 4.571,55 2.394,56 0.033,57 0.403,58 6.174,59 2.464,60 8.207,61 3.4,62 0.212,63 0.585,64 10.723,65 3.666,66 33.287,67 5.333,68 0.172,69 0.599,70 13.699,71 4.691,72 29.527,73 6.923,74 0.163,75 0.552,76 13.103,77 4.338,78 27.227,79 6.548,80 0.14,81 0.487,82 11.456,83 3.819,84 24.743,85 5.716,86 0.134,87 0.424,88 10.202,89 3.249,90 23.895,91 4.904,92 0.148,93 0.345,94 8.635,95 2.573,96 27.113,97 3.756,98 0.139,99 0.287,100 7.33,101 2.03,102 25.223,103 2.96,104 13,105 17,106 0.307,107 0.682,108 0.878,109 0.91,110 0.91,111 0.91,112 2.787,113 0.961,114 -2.6,115 -2.62,116 -2.55,118 37.9,120 2,124 1,133 4,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 8.869,277 9.446,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.67,286 6.068,287 3.241,288 7.742,289 3.288,290 1.376,291 0.371,292 0.207,293 0.207,294 0.207,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 12.752,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 134,327 3.92,328 3.472,329 5.352,330 3.458,331 2.542,332 3.479,333 1.437,334 6.997,335 2.329,336 3.682,337 2.649,338 4.659,339 3.241,340 2.235,341 2.945,343 5.184,344 2.222,345 3.201,346 2.045,347 3.822,348 2.779,349 1.784,350 2.282,352 3.61,353 1.772,354 2.733,355 1.489,356 3.509,357 2.366,358 1.395,359 1.781,361 2.888,362 1.35,363 2.485,364 1.264,365 3.162,366 2.031,367 1.072,368 1.351,370 2.232,371 1.022,372 2.118,373 0.723,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 2.062,382 0.618,383 2.652,384 1.511,385 0.526,386 0.726,388 1.09,389 0.515,390 1.121,391 0.465,392 2.131,393 0.85,394 -0.136,395 -0.17,397 -0.292,398 -0.133,399 0.557,400 0.011,401 1.605,402 0.224,403 -0.763,404 -0.834,406 -1.699,407 -0.73,408 0.316,409 -0.584,410 1.059,411 -0.015,412 -1,413 -1.359,415 -2,416 -0.972,417 0.033,418 -1.075,419 1,420 -0.294,421 -1.253,422 -1.579,424 -2.746,425 -1.221,426 -0.118,427 -1.489,428 1,429 -0.61,430 -1.583,431 -1.952,433 -3.358,434 -1.472,435 -0.29,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.427,442 -4.156,443 -1.546,444 -0.485,445 -1.767,446 0.37,447 -0.865,448 -1.838,449 -2.569,451 -4.372,452 -1.773,453 -0.835,454 -1.864,455 0.133,456 -1.024,457 -1.982,458 -2.601,459 -1.437,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 17.75,467 1.183,468 8.5,469 0.567,470 9.25,471 0.617,472 8.688,473 0.579,474 17.033,475 0.587,476 10.492,477 0.699,478 3.852,479 0.257,480 3.436,481 0.229,482 0.096,484 0.129,487 0.828,488 1.548,489 0.86,490 1.246,491 0.722,492 1.089,493 0.619,494 1.149,495 1.032,496 1.153,497 0.377,498 1.15,499 0.753,500 0.999,501 1.037,502 1.082,503 0.718,504 1.108,505 0.663,506 0.923,507 0.921,508 0.981,509 0.596,510 0.994,511 0.708,512 0.975,513 0.94,514 1.025,515 0.662,516 1.025,517 0.793,518 0.943,519 0.919,520 0.963,521 0.786,522 0.962,523 1.277,524 0.944,525 1.051,526 0.923,527 1.35,528 0.947,529 1.525,530 0.952,531 1.1,532 0.886,533 1.61,534 0.913,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6562,547 1.925,548 48.3,549 2,550 6,551 1,552 2,553 1,555 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 45.525,568 1.57,569 3.482,570 4.487,571 4.651,572 4.651,573 4.651,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 140.881,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.075,604 -0.306,605 0.005,606 -0.11,607 -0.063,608 -0.054,609 0.162,610 0.011,611 -0.127,612 -0.136,613 0.269,614 -0.173,615 -0.063,616 -0.053,617 -0.114,618 -0.088,619 -0.033,620 -0.106,621 -0.014,622 -0.007,623 0.011,624 -0.009,625 0.013,626 0.007,627 -0.022,628 -0.054,629 -0.007,630 -0.046,631 0.003,632 -0.025,633 -0.037,634 -0.029,635 0.03,636 -0.004,637 -0.055,638 0.024,639 -0.175,640 -0.037,641 -0.059,642 0.019,643 -0.199,644 0.003,645 -0.241,646 -0.043,647 -0.08,648 0.029,649 -0.263,650 0.008,651 2.585,652 3.113,653 0.333,654 11.271,655 1.006,656 1.135,657 1.368,658 1.872,659 0.638,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.608,672 206.27,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.9,691 1,693 1,699 3,700 1,705 1,706 5,724 29,726 8,728 15,730 29,731 11,733 3,736 5,739 1,740 1,751 2,753 8,754 3,756 3,761 1,763 4,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 4,830 1,832 1,840 15,845 1,846 3,862 6.9,864 1,865 1,869 8.167,870 4.85,871 3.583,872 1.653,874 1.682,875 1.327,876 0.879,877 5.302,878 6.824,879 3.068,880 3.442,881 3.77,882 4.087,883 3.899,884 3.919,885 3.968,886 4.121,887 4.341,888 4.627,889 0.833,890 12,891 5.472,892 -0.001,893 2.092,894 8.044,895 10.245,897 7.461,898 -0.001,899 2.544,900 38.167,901 0.002,904 153.024,905 72.703,906 18.685,908 67.828,911 72.703,912 220.853,913 18.685,915 7.175,916 46.952,917 117.684,918 10.947,919 11.771,920 117.711,922 153.024,923 91.388,924 67.828,927 129.482,928 91.37,931 26.74,932 9.957,933 54.691,935 153.024,936 86.513,937 72.703,940 153.024,941 8.085,942 66.518,944 84.614,945 153.024,946 86.513,947 72.703,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.207,956 6,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.568,969 6.875,970 5.731,972 84.614,973 5.466,974 3.938,979 2.015,980 42.683,981 312.24,982 20.5,987 10.113,989 6.352,991 -0.918,994 29.16,995 32.907,996 0.323,997 0.717,998 0.924,999 0.957,1000 0.957,1001 0.957,1002 4.178,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.119,1008 1.635,1009 5.252,1010 3.479,1011 5.293,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1018 5.46,1019 2.41,1020 6.493,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 6.023,1026 2.253,1027 8.47,1028 4.674,1029 7.727,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.129,1036 9.649,1037 4.411,1038 8.99,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.156,1044 2.922,1045 12.016,1046 6.068,1047 10.272,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.747,1054 13.616,1055 6.224,1056 11.57,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.417,1062 3.619,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.282,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.758,1080 4.33,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.479,1087 10.412,1088 13.784,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.945,1096 11.465,1097 15.153,1098 5.047,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 2.282,1105 12.261,1106 16.271,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.781,1114 13.26,1115 17.582,1116 5.769,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.351,1123 14.107,1124 18.754,1126 29.19,1127 13.036,1128 2036,1129 3837,1130 9.822,1131 18.489,1132 21.268,1133 20.822,1134 20.581,1135 20.346,1136 20.347,1137 26.983,1138 2.873,1139 46.746,1140 19.576,1141 4.755,1142 5.337,1143 5.22,1144 4.482,1145 4.524,1146 6.079,1147 2.873,1148 11.747,1149 4.268,1150 6.767,1151 1.418,1152 1.388,1153 1.372,1154 1.356,1155 1.356,1156 1.799,1157 0.192,1158 3.116,1159 1.305,1160 3.939,1161 4.007,1162 3.869,1163 3.751,1164 7.476,1165 3.767,1166 3.743,1167 3.781,1168 3.658,1169 3.62,1170 6.351,1171 3.626,1172 3.505,1173 3.544,1174 3.391,1175 3.338,1176 4.953,1177 3.34,1178 3.183,1179 3.226,1180 3.049,1181 2.973,1182 4.506,1183 2.984,1184 2.808,1185 2.875,1186 2.627,1187 2.525,1188 4.003,1189 2.545,1190 2.511,1191 2.604,1192 2.29,1193 2.299,1194 3.698,1195 2.288,1196 2.436,1197 2.542,1198 2.219,1199 2.157,1200 3.356,1201 2.158,1202 2.14,1203 2.283,1204 1.844,1205 1.798,1206 3.219,1207 1.789,1208 0.261,1209 0.231,1210 0.357,1211 0.231,1212 0.169,1213 3.92,1214 0.232,1215 3.472,1216 0.096,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.479,1223 1.437,1224 6.997,1225 2.329,1226 1.789,1227 1.742,1228 1.988,1229 1.949,1230 1.266,1231 1.963,1232 1.613,1233 1.562,1234 1.786,1235 1.8,1236 0.871,1237 1.794,1238 1.371,1239 1.322,1240 1.569,1241 1.589,1242 0.654,1243 1.58,1244 1.281,1245 1.215,1246 1.461,1247 1.524,1248 0.44,1249 1.509,1250 1.022,1251 0.969,1252 1.269,1253 1.296,1254 0.274,1255 1.287,1256 0.657,1257 0.595,1258 1.016,1259 0.997,1260 0.078,1261 1.011,1262 0.385,1263 0.282,1264 0.812,1265 0.738,1267 0.786,1268 0.063,1270 0.685,1271 0.48,1273 0.559,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.31,1290 2.892,1300 17.633,1301 45.525,1302 100.965,1303 130.127,1304 134.881,1305 134.881,1306 134.881,1307 22.672,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3.17,1314 2.7,1315 31.761,1316 51,1317 38,1318 0.299,1319 115.837,1320 201.98,1321 274.402,1322 894,1324 10.933,1325 0.729,1326 0.561,1327 10.933,1328 8.413,1329 7.288,1330 0.486,1331 0.32,1332 4.733,1333 6.962,1334 4.649,1335 3.916,1336 7.288,1337 4.807,1338 5.889,1339 0.346,1340 0.18,1341 5.889,1342 3.068,1343 3.869,1344 0.228,1345 0.108,1346 3.869,1347 1.832,1348 2.815,1349 0.156,1350 0.062,1351 2.815,1352 1.123,1353 1.559,1354 0.111,1355 0.042,1356 1.559,1357 0.583,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 229.175,1365 71.953,1366 219.353,1367 280.32,1368 202,1369 66,1370 187.596,1371 72.682,1372 189.609,1373 262.83,1374 176,1375 7.398} {0 CHEMBL541546,1 1.406,2 8.188,3 2.429,4 5.898,5 64.726,6 6.421,7 0.588,8 3.594,9 3.729,10 3.03,11 3.101,12 4.589,13 3.053,14 4.14,15 4.343,16 3.281,17 3.476,18 5.027,19 3.38,20 4.386,21 4.661,22 3.202,23 3.56,24 5.134,25 3.408,26 4.359,27 4.638,28 3.078,29 3.494,30 5.11,31 3.323,32 4.28,33 4.577,34 2.793,35 3.332,36 4.986,37 3.128,38 4.105,39 4.407,40 2.671,41 3.15,42 4.814,43 2.958,44 3.923,45 4.211,46 2.571,47 2.992,48 4.697,49 2.82,50 3.738,51 4.017,52 2.489,53 2.828,54 4.59,55 2.666,56 0.041,57 0.484,58 8.147,59 3.177,60 6.211,61 4.591,62 0.13,63 0.765,64 14.352,65 5.222,66 12.205,67 7.706,68 0.155,69 0.862,70 18.302,71 6.563,72 16.857,73 9.874,74 0.146,75 0.822,76 17.794,77 6.373,78 17.736,79 9.604,80 0.156,81 0.72,82 16.497,83 5.691,84 18.074,85 8.662,86 0.133,87 0.594,88 13.831,89 4.747,90 15.275,91 7.207,92 0.118,93 0.504,94 11.557,95 3.857,96 14.354,97 5.872,98 0.133,99 0.424,100 9.601,101 3.188,102 12.34,103 4.883,104 8,105 21,106 0.264,107 0.584,108 0.764,109 0.868,110 0.89,111 0.89,112 2.85,113 1.045,114 -3.23,115 -3.22,116 -3.09,118 38.2,120 5,124 1,140 3,143 1,150 2,156 1,168 6,171 1,172 3,177 1,180 5,186 3,191 1,194 4,198 4,203 1,206 4,210 2,215 1,218 3,222 2,227 1,229 3,234 1,242 2,247 1,250 1,252 1,255 1,264 1,270 292,271 11.251,272 11.251,273 11.251,274 11.251,275 11.251,276 10.094,277 4.716,278 7.225,279 11.453,280 8.397,281 8.397,282 8.397,283 8.397,284 8.397,285 6.684,286 1.471,287 3.403,288 8.74,289 3.681,290 1.982,291 1.022,292 0.471,293 0.353,294 0.353,295 3.51,299 1,300 1,301 276,302 2.739,305 32.131,306 41.33,309 61.614,313 1.313,314 8.574,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 131,327 4.509,328 3.117,329 6.512,330 3.986,331 3.045,332 4.457,334 10.214,335 2.865,336 3.5,337 2.292,338 5.203,339 3.12,340 2.14,341 2.877,343 6.251,344 2.096,345 3.048,346 1.893,347 4.139,348 2.77,349 1.783,350 2.321,352 3.729,353 1.758,354 2.813,355 1.548,356 3.795,357 2.516,358 1.548,359 1.818,361 3.516,362 1.495,363 2.5,364 1.469,365 3.436,366 2.26,367 1.29,368 1.5,370 2.524,371 1.245,372 2.367,373 1,374 3.358,375 1.923,376 1,377 1.358,379 2.23,380 0.921,381 2.044,382 0.949,383 3.065,384 1.706,385 0.753,386 0.921,388 1.614,389 0.713,390 1.57,391 0.535,392 2.605,393 1.356,394 0.402,395 0.468,397 0.762,398 0.381,399 1.024,400 0.02,401 2.3,402 0.787,403 -0.172,404 -0.193,406 -0.317,407 -0.164,408 0.599,409 -0.485,410 1.917,411 0.338,412 -0.623,413 -0.735,415 -1.26,416 -0.596,417 0.5,418 -1,419 1.649,420 -0.048,421 -1,422 -1.248,424 -2.222,425 -0.945,426 -0.003,427 -1.018,428 1.496,429 -0.167,430 -1.124,431 -1.5,433 -2.431,434 -1.079,435 -0.115,436 -1.431,437 1.06,438 -0.607,439 -1.567,440 -1.737,442 -3.401,443 -1.476,444 -0.365,445 -1.614,446 0.565,447 -0.696,448 -1.648,449 -2.046,451 -4.419,452 -1.586,453 -0.5,454 -1.824,455 0.467,456 -0.89,457 -1.854,458 -2.421,460 -4.766,461 -1.758,462 7.633,463 0.477,464 0.171,465 0.011,466 18,467 1.125,468 8,469 0.5,470 10,471 0.625,472 12.004,473 0.75,474 18.167,475 0.534,476 9.311,477 0.582,478 3.286,479 0.205,480 4.629,481 0.289,482 0.044,484 0.183,487 0.97,488 1.466,489 0.958,490 1.211,491 0.922,492 1.106,493 0.963,494 1.228,495 1.079,496 1.154,497 0.881,498 1.134,499 0.8,500 0.937,501 0.918,502 0.924,503 0.667,504 0.93,505 0.784,506 1.026,507 0.976,508 1.023,509 0.738,510 1.022,511 0.883,512 0.944,513 1.048,514 1.007,515 0.869,516 1.038,517 0.902,518 0.88,519 0.946,520 0.912,521 0.917,522 0.931,523 1.076,524 0.925,525 1.013,526 0.939,527 1.086,528 0.963,529 0.755,530 0.956,531 0.992,532 1.021,533 0.796,534 1.024,535 1.5,536 0.032,537 1.333,538 0.563,539 0.373,540 0.17,541 0.116,542 0.084,543 0.064,544 0.05,545 2102,546 4960,547 2.066,548 52.9,549 6,550 5,552 2,553 1,554 2,555 2,558 1.543,559 2,560 3,561 -0.291,563 1,564 1,565 1,567 47.809,568 1.406,569 3.106,570 4.065,571 4.617,572 4.735,573 4.735,574 2.453,575 4,576 3.965,577 3.153,578 378.324,579 6.645,580 3362.55,582 1,584 1,585 172.974,586 1.014,587 3.962,588 0.088,589 0.011,590 0.063,591 0.03,592 0.023,593 0.015,594 0.012,595 0.009,596 0.008,597 0.008,598 0.268,599 0.83,600 1,601 2,602 65.979,603 -0.043,604 -0.209,605 0.037,606 -0.046,607 -0.033,608 -0.009,609 -0.034,610 -0.085,611 -0.095,612 -0.095,613 -0.065,614 -0.107,615 -0.045,616 0.043,617 0.031,618 0.067,619 0.002,620 0.06,621 -0.038,622 -0.066,623 -0.032,624 -0.04,625 -0.026,626 -0.037,627 -0.082,628 -0.022,629 -0.103,630 -0.061,631 -0.096,632 -0.079,633 -0.051,634 0.02,635 0.004,636 0.028,637 -0.072,638 0.024,639 -0.096,640 0.005,641 -0.046,642 0.001,643 -0.107,644 -0.013,645 0.185,646 0.009,647 -0.023,648 -0.079,649 0.078,650 -0.072,651 1.183,652 2.684,653 0.563,654 10.906,655 0.988,656 1.133,657 2.003,658 4.011,659 0.634,660 2.89,661 3.091,662 3.332,663 3.555,664 3.611,665 3.584,666 3.584,667 3.584,668 3.258,669 3.135,670 4.918,671 0.587,672 218.33,673 2.89,674 4.344,675 5.153,676 5.984,677 6.821,678 7.669,679 8.519,680 9.377,681 10.234,682 11.097,683 5.9,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 34,726 10,728 17,730 35,731 13,733 7,739 2,740 3,745 1,751 5,753 7,754 6,769 1,772 18,773 2,774 1,775 3,778 1,779 2,784 0.5,785 1,786 1,795 1,801 1,802 1,805 1,830 1,832 1,840 16,845 1,846 6,862 2.9,863 1,869 8,870 5.767,871 3.806,872 2.247,874 2.063,875 1.352,876 0.926,877 4.085,878 7.932,879 3.135,880 3.67,881 4.292,882 4.902,883 5.295,884 5.543,885 5.828,886 6.109,887 5.488,888 5.46,889 1,890 19,891 5.905,893 2.361,894 7.583,895 11.676,897 9.354,899 2.083,900 33.333,901 0.005,904 200.109,905 63.668,906 18.072,908 42.683,911 63.668,912 242.792,913 18.072,915 12.673,916 71.112,917 48.946,918 10.334,919 4.901,920 176.567,922 200.109,923 81.74,924 42.683,927 176.567,928 23.542,929 42.683,931 31.625,932 33.33,933 16.786,935 200.109,936 60.755,937 63.668,940 200.109,941 17.574,942 47.381,944 59.469,945 200.109,946 60.755,947 63.668,949 0.538,950 0.31,951 0.172,952 0.082,953 9,954 3,955 0.171,956 6,957 1,958 1.222,959 2.997,960 98.385,961 0.222,962 9,963 64,968 11.308,969 5.781,970 2.913,971 1.16,972 59.469,973 10.066,974 4.15,978 1.319,980 42.683,981 324.532,982 22,994 33.6,995 38.528,996 0.276,997 0.61,998 0.799,999 0.908,1000 0.931,1001 0.931,1002 4.284,1003 0.402,1004 5.056,1005 1.614,1006 3.761,1007 4.35,1009 5.784,1010 3.681,1011 5.428,1012 -0.172,1013 6.547,1014 0.762,1015 2.944,1016 4.007,1018 6.581,1019 2.783,1020 6.697,1021 -0.623,1022 8.157,1023 -0.317,1024 5.231,1025 6.59,1027 9.728,1028 5.054,1029 8.022,1030 -1,1031 9.849,1032 -1.26,1033 5.442,1034 7.302,1036 11.504,1037 5.148,1038 9.397,1039 -1.124,1040 11.595,1041 -2.222,1042 7.045,1043 9.229,1045 14.107,1046 6.743,1047 10.807,1048 -1.567,1049 13.379,1050 -2.431,1051 7.757,1052 10.393,1054 16.225,1055 7.338,1056 12.244,1057 -1.648,1058 15.188,1059 -3.401,1060 9.07,1061 12.065,1063 18.654,1064 8.629,1065 3.045,1066 -1.854,1067 17.015,1068 -4.419,1069 10.012,1070 13.421,1072 20.897,1073 9.47,1074 2.14,1075 10.214,1076 18.854,1077 -4.766,1078 11.206,1079 14.99,1081 23.263,1082 10.626,1083 1.783,1084 6.251,1085 20.702,1086 4.457,1087 12.247,1088 16.426,1090 25.554,1091 11.582,1092 1.548,1093 3.729,1094 22.556,1095 2.877,1096 13.393,1097 17.952,1099 27.895,1100 12.679,1101 1.29,1102 3.516,1103 24.414,1104 2.321,1105 14.476,1106 19.422,1108 30.205,1109 13.688,1110 1,1111 2.524,1112 26.276,1113 1.818,1114 15.602,1115 20.93,1117 32.537,1118 14.76,1119 0.753,1120 2.23,1121 28.14,1122 1.5,1123 16.703,1124 22.414,1126 34.854,1127 15.792,1128 2159,1129 3370,1130 11.614,1131 21.557,1132 23.999,1133 24.157,1134 24.695,1135 23.93,1136 23.922,1137 31.438,1139 61.681,1140 22.95,1141 5.411,1142 5.117,1143 6.464,1144 5.033,1145 5.045,1146 7.457,1148 16.989,1149 4.832,1150 5.117,1151 1.412,1152 1.421,1153 1.453,1154 1.408,1155 1.407,1156 1.849,1158 3.628,1159 1.35,1160 4.12,1161 4.169,1162 4.08,1163 3.977,1164 6.456,1165 3.996,1166 3.733,1167 3.796,1168 3.57,1169 3.6,1170 5.051,1171 3.584,1172 3.46,1173 3.524,1174 3.316,1175 3.302,1176 4.376,1177 3.295,1178 3.304,1179 3.367,1180 3.172,1181 3.148,1182 4.101,1183 3.148,1184 3.065,1185 3.136,1186 2.893,1187 2.879,1188 3.817,1189 2.871,1190 2.77,1191 2.851,1192 2.561,1193 2.552,1194 3.507,1195 2.539,1196 2.476,1197 2.589,1198 2.203,1199 2.194,1200 3.281,1201 2.173,1202 2.287,1203 2.399,1204 2.12,1205 2.017,1206 3.088,1207 2.018,1208 0.265,1209 0.183,1210 0.383,1211 0.234,1212 0.179,1213 4.509,1214 0.262,1215 3.117,1217 6.512,1218 0.601,1219 3.986,1220 0.169,1221 3.045,1222 4.457,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.075,1229 2.089,1230 1.383,1231 2.084,1232 1.726,1233 1.667,1234 1.955,1235 1.895,1236 1.183,1237 1.922,1238 1.448,1239 1.388,1240 1.714,1241 1.647,1242 0.958,1243 1.67,1244 1.295,1245 1.224,1246 1.482,1247 1.548,1248 0.624,1249 1.532,1250 1.021,1251 0.957,1252 1.341,1253 1.279,1254 0.387,1255 1.305,1256 0.984,1257 0.904,1258 1.221,1259 1.195,1260 0.3,1261 1.212,1262 0.634,1263 0.542,1264 1.05,1265 0.943,1266 0.202,1267 0.982,1268 0.386,1269 0.267,1270 0.846,1271 0.716,1273 0.765,1274 3.555,1276 4.779,1277 2.398,1278 6.209,1279 4.595,1280 7.752,1281 6.605,1282 9.363,1289 8.684,1290 5.81,1300 19.972,1301 47.809,1302 105.59,1303 138.219,1304 156.974,1305 160.974,1306 160.974,1307 19.442,1308 5.869,1309 37.53,1310 37.53,1311 11,1312 11.647,1313 3.459,1314 2.585,1315 26.238,1316 45,1317 56,1318 0.284,1319 126.559,1320 207.17,1321 300.565,1322 2248,1324 11.217,1325 0.701,1326 0.592,1327 11.217,1328 9.471,1329 7.915,1330 0.466,1331 0.348,1332 5.862,1333 7.662,1334 5.756,1335 4.81,1336 7.915,1337 5.924,1338 6.249,1339 0.298,1340 0.195,1341 6.249,1342 4.093,1343 5.152,1344 0.191,1345 0.106,1346 5.152,1347 2.873,1348 4.269,1349 0.126,1350 0.058,1351 4.269,1352 1.982,1353 3.018,1354 0.084,1355 0.034,1356 3.018,1357 1.234,1358 0.446,1359 49.235,1360 0.293,1361 16.615,1362 0.763,1363 76,1364 191.44,1365 81.63,1366 186.236,1367 255.26,1368 176,1369 86,1370 184.501,1371 91.854,1372 187.733,1373 271.19,1374 177,1375 6.553} {0 CHEMBL542051,1 1.496,2 8.933,3 1.773,4 3.145,5 57.852,6 6.373,7 0.333,8 3.547,9 3.685,10 2.946,11 2.98,12 4.592,13 2.938,14 4.1,15 4.317,16 3.152,17 3.327,18 5.166,19 3.223,20 4.355,21 4.643,22 2.885,23 3.373,24 5.132,25 3.183,26 4.298,27 4.602,28 2.797,29 3.278,30 5.047,31 3.083,32 4.178,33 4.478,34 2.71,35 3.154,36 4.965,37 2.97,38 4.042,39 4.336,40 2.615,41 3.011,42 4.876,43 2.842,44 3.884,45 4.17,46 2.509,47 2.846,48 4.778,49 2.696,50 3.696,51 3.972,52 2.392,53 2.647,54 4.67,55 2.525,56 0.024,57 0.45,58 7.928,59 2.94,60 6.536,61 4.328,62 0.217,63 0.666,64 14.075,65 4.672,66 34.574,67 7.118,68 0.213,69 0.691,70 17.939,71 5.767,72 33.561,73 8.886,74 0.204,75 0.632,76 16.911,77 5.286,78 31.247,79 8.271,80 0.191,81 0.559,82 15.054,83 4.572,84 29.219,85 7.19,86 0.177,87 0.485,88 13.198,89 3.858,90 27.19,91 6.11,92 0.164,93 0.411,94 11.342,95 3.144,96 25.162,97 5.029,98 0.151,99 0.337,100 9.486,101 2.43,102 23.108,103 3.949,104 13,105 17,106 0.288,107 0.565,108 0.727,109 0.835,110 0.89,111 0.89,112 2.787,113 1.093,114 -2.77,115 -2.79,116 -2.7,118 33.3,120 6,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9.259,277 7.886,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 6.252,286 4.393,287 3.241,288 7.742,289 3.549,290 2.111,291 1.272,292 0.712,293 0.424,294 0.424,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 13.397,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 33,326 134,327 3.92,328 3.596,329 5.352,330 3.458,331 2.542,332 3.479,333 2.341,334 6.997,335 2.329,336 3.55,337 2.646,338 4.659,339 3.241,340 2.235,341 2.71,343 5.184,344 2.222,345 2.854,346 1.838,347 3.822,348 2.779,349 1.784,350 1.884,352 3.61,353 1.772,354 2.643,355 1.504,356 3.509,357 2.366,358 1.395,359 1.668,361 2.888,362 1.35,363 2.251,364 1.217,365 3.162,366 2.031,367 1.072,368 1.217,370 2.232,371 1.022,372 2.118,373 0.797,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.645,382 0.618,383 2.652,384 1.511,385 0.526,386 0.567,388 1.09,389 0.515,390 0.989,391 0.421,392 2.131,393 0.85,394 -0.136,395 -0.146,397 -0.292,398 -0.133,399 0.503,400 0.015,401 1.605,402 0.224,403 -0.763,404 -0.807,406 -1.699,407 -0.73,408 0.271,409 -0.515,410 1.059,411 -0.015,412 -1,413 -1.263,415 -2,416 -0.972,417 -0.062,418 -1.032,419 1,420 -0.294,421 -1.253,422 -1.476,424 -2.746,425 -1.221,426 -0.118,427 -1.473,428 1,429 -0.61,430 -1.583,431 -1.776,433 -3.358,434 -1.472,435 -0.394,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -1.972,442 -4.156,443 -1.546,444 -0.733,445 -1.755,446 0.37,447 -0.865,448 -1.838,449 -2.427,450 -0.757,451 -4.372,452 -1.773,453 -0.937,454 -1.918,455 0.133,456 -1.024,457 -1.982,458 -2.585,459 -1.584,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 14.75,467 0.983,468 5.5,469 0.367,470 9.25,471 0.617,472 11.632,473 0.775,474 18.233,475 0.553,476 7.548,477 0.503,478 2.67,479 0.178,480 4.618,481 0.308,482 0.096,484 0.129,487 0.815,488 1.71,489 0.968,490 1.422,491 0.682,492 1.248,493 0.561,494 1.256,495 1.059,496 1.27,497 0.356,498 1.239,499 0.814,500 0.981,501 1.01,502 1.048,503 0.82,504 1.065,505 0.749,506 0.902,507 0.913,508 0.95,509 0.732,510 0.96,511 0.841,512 0.907,513 0.937,514 0.94,515 0.827,516 0.953,517 0.962,518 0.913,519 0.969,520 0.927,521 0.953,522 0.945,523 1.128,524 0.921,525 1.012,526 0.909,527 1.126,528 0.934,529 1.372,530 0.933,531 1.076,532 0.883,533 1.378,534 0.918,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 5728,547 1.925,548 54.5,549 8,550 2,551 1,552 2,553 1,554 2,555 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 49.353,568 1.496,569 2.933,570 3.772,571 4.332,572 4.62,573 4.62,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 166.465,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.053,604 -0.317,605 0.011,606 -0.12,607 -0.009,608 -0.06,609 0.174,610 -0.05,611 -0.103,612 -0.161,613 0.244,614 -0.175,615 -0.067,616 -0.045,617 -0.09,618 -0.058,619 -0.063,620 -0.076,621 -0.032,622 -0.006,623 0.002,624 0.006,625 -0.034,626 0.01,627 -0.055,628 -0.007,629 -0.009,630 0.007,631 -0.056,632 0.008,633 -0.085,634 -0.009,635 -0.023,636 0.007,637 -0.086,638 0.005,639 -0.126,640 -0.011,641 -0.042,642 0.007,643 -0.126,645 -0.186,646 -0.014,647 -0.071,648 0.008,649 -0.183,650 -0.006,651 2.353,652 3.233,653 0.333,654 11.271,655 0.998,656 1.144,657 1.544,658 2.385,659 0.606,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.566,672 210.31,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.1,691 1,693 1,699 3,700 1,705 1,706 5,724 33,726 6,728 15,730 33,731 11,733 3,739 1,740 1,751 6,753 4,754 7,756 1,761 1,765 1,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,840 15,845 1,846 7,862 6.1,864 1,865 1,869 8.167,870 5.517,871 3.583,872 2.194,874 0.875,875 1.17,876 0.871,877 5.9,878 6.016,879 2.97,880 3.305,881 3.537,882 3.883,883 3.477,884 3.446,885 3.414,886 3.38,887 3.346,888 3.446,889 0.833,890 12,891 5.531,892 -0.001,893 2.138,894 7.911,895 10.682,897 8.135,898 -0.001,899 2.411,900 36.167,901 0.004,904 200.109,905 44.936,906 18.685,908 67.828,911 44.936,912 267.937,913 18.685,915 17.313,916 9.047,917 117.684,918 10.947,919 11.771,920 164.795,922 200.109,923 63.621,924 67.828,927 176.567,928 91.37,931 36.878,932 9.957,933 16.786,935 200.109,936 86.513,937 44.936,940 200.109,941 18.223,942 28.613,944 84.614,945 200.109,946 86.513,947 44.936,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.242,956 8,958 1,959 2.962,960 76.457,962 5,963 58.603,968 12.084,969 7.324,970 6.155,972 84.614,973 5.571,974 3.968,979 2.067,980 42.683,981 331.558,982 18.5,987 10.233,991 -0.687,994 32.927,995 37.737,996 0.296,997 0.581,998 0.748,999 0.859,1000 0.916,1001 0.916,1002 4.082,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 3.98,1008 2.258,1009 5.252,1010 3.479,1011 5.153,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.339,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 5.82,1026 3.628,1027 8.47,1028 4.674,1029 7.561,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.411,1038 8.818,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 7.954,1044 5.201,1045 12.016,1046 6.068,1047 10.098,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.683,1053 5.889,1054 13.616,1055 6.224,1056 11.395,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.244,1062 6.849,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.213,1071 7.625,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.622,1080 8.526,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.479,1087 10.412,1088 13.718,1089 9.342,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.71,1096 11.465,1097 15.049,1098 10.216,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 1.884,1105 12.261,1106 16.214,1107 11.051,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.668,1114 13.26,1115 17.504,1116 11.912,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.217,1123 14.107,1124 18.706,1125 12.755,1126 29.19,1127 13.036,1128 2036,1129 3582,1130 9.822,1131 20.012,1132 20.695,1133 20.643,1134 20.581,1135 20.346,1136 20.347,1137 24.903,1138 4.682,1139 46.746,1140 19.576,1141 4.857,1142 5.513,1143 5.22,1144 4.482,1145 4.524,1146 6.064,1147 3.925,1148 11.747,1149 4.268,1150 6.767,1151 1.38,1152 1.376,1153 1.372,1154 1.356,1155 1.356,1156 1.66,1157 0.312,1158 3.116,1159 1.305,1160 3.94,1161 4.009,1162 3.868,1163 3.746,1164 7.474,1165 3.763,1166 3.756,1167 3.812,1168 3.62,1169 3.604,1170 6.351,1171 3.601,1172 3.538,1173 3.587,1174 3.405,1175 3.361,1176 4.953,1177 3.36,1178 3.245,1179 3.299,1180 3.082,1181 3.023,1182 4.156,1183 3.028,1184 2.906,1185 2.981,1186 2.692,1187 2.635,1188 3.888,1189 2.641,1190 2.576,1191 2.681,1192 2.314,1193 2.319,1194 3.559,1195 2.306,1196 2.464,1197 2.568,1198 2.24,1199 2.207,1200 3.34,1201 2.202,1202 2.273,1203 2.412,1204 1.955,1205 1.914,1206 3.172,1207 1.904,1208 0.261,1209 0.24,1210 0.357,1211 0.231,1212 0.169,1213 3.92,1214 0.232,1215 3.596,1216 0.156,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.479,1223 2.341,1224 6.997,1225 2.329,1226 1.801,1227 1.741,1228 2.04,1229 1.974,1230 1.395,1231 1.997,1232 1.638,1233 1.577,1234 1.867,1235 1.851,1236 1.174,1237 1.856,1238 1.411,1239 1.354,1240 1.638,1241 1.645,1242 0.868,1243 1.643,1244 1.293,1245 1.226,1246 1.488,1247 1.526,1248 0.579,1249 1.515,1250 1.099,1251 1.036,1252 1.365,1253 1.383,1254 0.406,1255 1.38,1256 0.78,1257 0.704,1258 1.142,1259 1.109,1260 0.251,1261 1.123,1262 0.474,1263 0.367,1264 0.928,1265 0.853,1266 0.061,1267 0.893,1268 0.226,1269 0.08,1270 0.774,1271 0.64,1273 0.705,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.431,1290 6.584,1300 18.687,1301 49.353,1302 96.798,1303 124.491,1304 142.955,1305 152.465,1306 152.465,1307 27.485,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 2.807,1314 2.17,1315 31.761,1316 51,1317 38,1318 0.299,1319 121.692,1320 207.26,1321 288.688,1322 894,1324 10.933,1325 0.729,1326 0.595,1327 10.933,1328 8.932,1329 7.288,1330 0.486,1331 0.364,1332 5.389,1333 6.962,1334 5.304,1335 4.452,1336 7.288,1337 5.464,1338 5.889,1339 0.346,1340 0.218,1341 5.889,1342 3.712,1343 3.869,1344 0.228,1345 0.139,1346 3.869,1347 2.366,1348 2.815,1349 0.156,1350 0.084,1351 2.815,1352 1.52,1353 1.559,1354 0.111,1355 0.062,1356 1.559,1357 0.868,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 209.175,1365 71.953,1366 197.644,1367 250.94,1368 182,1369 66,1370 166.596,1371 72.682,1372 166.678,1373 231.1,1374 155,1375 7.495} {0 CHEMBL542052,1 1.422,2 8.8,3 2.6,4 6.758,5 58.214,6 6.478,7 0.4,8 3.505,9 3.632,10 2.915,11 3.017,12 4.581,13 2.963,14 4.033,15 4.231,16 3.119,17 3.35,18 5.139,19 3.236,20 4.316,21 4.585,22 2.979,23 3.414,24 5.159,25 3.241,26 4.257,27 4.551,28 2.784,29 3.281,30 5.042,31 3.087,32 4.114,33 4.4,34 2.69,35 3.147,36 4.937,37 2.964,38 3.984,39 4.267,40 2.593,41 3.011,42 4.853,43 2.84,44 3.816,45 4.088,46 2.485,47 2.845,48 4.753,49 2.694,50 3.614,51 3.87,52 2.365,53 2.646,54 4.657,55 2.522,56 0.028,57 0.42,58 7.358,59 3.181,60 6.361,61 4.34,62 0.16,63 0.645,64 12.798,65 5.043,66 33.278,67 7.214,68 0.173,69 0.741,70 17.211,71 6.172,72 34.084,73 9.041,74 0.179,75 0.67,76 16.281,77 5.571,78 32.334,79 8.332,80 0.158,81 0.578,82 14.115,83 4.825,84 29.306,85 7.159,86 0.148,87 0.504,88 12.442,89 4.138,90 27.5,91 6.146,92 0.136,93 0.424,94 10.562,95 3.392,96 25.278,97 5.029,98 0.124,99 0.344,100 8.682,101 2.646,102 21.778,103 3.913,104 12,105 17,106 0.275,107 0.574,108 0.725,109 0.834,110 0.87,111 0.895,112 2.788,113 1.079,114 -2.96,115 -2.96,116 -2.86,118 37.5,120 6,140 2,141 1,143 2,154 1,163 1,167 1,168 8,169 1,172 3,175 1,177 1,180 7,181 1,186 3,191 1,194 6,195 1,198 2,203 1,206 5,207 1,210 2,215 1,218 4,219 1,222 2,227 1,229 3,230 1,234 2,239 1,242 2,243 1,247 2,252 1,255 1,256 1,259 1,260 1,264 1,268 1,270 237,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9.129,277 6.78,278 6.652,279 10.158,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 6.085,286 3.363,287 3.241,288 7.55,289 3.578,290 2.032,291 1.25,292 0.688,293 0.5,294 0.375,295 3.419,299 1,300 1,301 260,302 3.082,306 56.197,313 1.44,314 13.608,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 32.5,326 132,327 3.896,328 3.596,329 5.34,330 3.513,331 2.522,332 3.444,333 2.341,334 6.965,335 2.498,336 3.55,337 2.718,338 4.659,339 3.24,340 2.234,341 2.71,343 5.184,344 2.222,345 2.961,346 1.801,347 3.785,348 2.725,349 1.732,350 2.119,352 3.518,353 1.717,354 2.702,355 1.576,356 3.563,357 2.439,358 1.466,359 1.707,361 3.048,362 1.423,363 2.5,364 1.189,365 3.247,366 1.998,367 1,368 1.5,370 2.136,371 0.994,372 2.12,373 1,374 3.098,375 1.955,376 1,377 1.079,379 2.06,380 0.953,381 1.417,382 0.679,383 2.508,384 1.285,385 0.285,386 0.308,388 0.603,389 0.283,390 0.845,391 0.318,392 1.913,393 0.607,394 -0.387,395 -0.429,397 -0.844,398 -0.379,399 0.514,400 -0.12,401 1.555,402 0.144,403 -0.852,404 -0.982,406 -1.794,407 -0.82,408 0.5,409 -0.649,410 1.341,411 -0.018,412 -1,413 -1.324,415 -2,416 -0.972,417 0.293,418 -1,419 1,420 -0.027,421 -1,422 -1.5,424 -2.347,425 -0.982,426 -0.213,427 -1.136,428 1,429 -0.338,430 -1.322,431 -1.58,433 -2.968,434 -1.322,435 -0.5,436 -1.5,437 0.621,438 -0.738,439 -1.732,440 -1.929,442 -4.127,443 -1.731,444 -0.663,445 -1.852,446 0.198,447 -0.949,448 -1.948,449 -2.123,450 -0.757,451 -4.644,452 -1.931,453 -0.921,454 -2,455 0.172,456 -1.036,457 -2,458 -3,459 -1.584,460 -4.789,461 -1.953,462 7.067,463 0.471,464 0.212,465 0.014,466 16,467 1.067,468 7.5,469 0.5,470 8.5,471 0.567,472 11.044,473 0.736,474 17.533,475 0.548,476 8.368,477 0.558,478 2.961,479 0.197,480 4.327,481 0.288,482 0.094,484 0.142,487 0.765,488 1.335,489 0.957,490 1.232,491 0.691,492 1.142,493 0.435,494 1.295,495 1.026,496 1.292,497 0.363,498 1.252,499 0.806,500 1.027,501 0.997,502 1.035,503 0.834,504 1.049,505 0.781,506 0.904,507 0.957,508 0.941,509 0.761,510 0.969,511 0.855,512 0.92,513 0.965,514 0.948,515 0.861,516 0.97,517 0.969,518 0.912,519 0.983,520 0.929,521 0.983,522 0.954,523 1.147,524 0.921,525 1.03,526 0.923,527 1.174,528 0.952,529 1.414,530 0.936,531 1.1,532 0.915,533 1.427,534 0.95,535 2,536 0.037,537 0.667,538 0.313,539 0.231,540 0.146,541 0.101,542 0.043,543 0.082,544 0.066,545 1841,546 5489,547 1.925,548 53.1,549 10,550 2,552 2,553 1,554 2,558 1.516,559 1.837,560 3.161,561 -0.265,563 1,565 1,567 45.494,568 1.422,569 2.968,570 3.75,571 4.313,572 4.5,573 4.625,574 2.556,575 3.24,576 3.88,577 3.304,578 346.888,579 6.432,580 3126.08,582 1,585 160,586 1.103,587 3.857,588 0.133,589 0.007,590 0.039,591 0.022,592 0.021,593 0.015,594 0.011,595 0.005,596 0.012,597 0.009,598 0.276,599 0.83,600 1,601 2.471,602 62.289,603 -0.055,604 -0.066,605 -0.01,606 -0.003,607 -0.021,608 -0.002,609 0.206,610 -0.161,611 -0.1,612 -0.185,613 0.245,614 -0.187,615 -0.056,616 -0.074,617 -0.067,618 -0.048,619 -0.066,620 -0.06,621 -0.046,622 0.013,623 -0.028,625 -0.05,626 -0.008,627 -0.055,628 -0.003,629 -0.027,630 -0.002,631 -0.069,632 -0.009,633 -0.078,634 0.006,635 -0.03,636 0.007,637 -0.098,638 -0.002,639 -0.117,640 0.006,641 -0.055,642 0.005,643 -0.146,644 -0.012,645 -0.177,646 0.007,647 -0.092,648 0.002,649 -0.183,650 -0.026,651 2.359,652 3.245,653 0.4,654 10.853,655 0.995,656 1.132,657 1.731,658 2.996,659 0.625,660 2.773,661 2.89,662 2.89,663 2.944,664 2.996,665 2.708,666 2.639,667 2.565,668 2.565,669 2.398,670 5.441,671 0.583,672 207.3,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.879,680 8.641,681 9.387,682 10.15,683 3.1,693 1,699 4,700 1,704 1,706 6,724 32,726 7,728 15,730 32,731 12,733 5,739 1,740 1,751 6,753 6,754 6,756 1,761 1,765 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 15,845 1,846 6,862 6.3,864 1,865 1,869 8.167,870 5.4,871 3.583,872 2.114,874 1.172,875 1.225,876 0.876,877 5.642,878 6.37,879 2.996,880 3.35,881 3.604,882 3.963,883 4.343,884 3.819,885 3.797,886 3.774,887 3.841,888 3.841,889 0.833,890 14,891 5.528,892 -0.001,893 2.144,894 7.922,895 10.64,897 8.119,898 -0.001,899 2.422,900 36.333,901 0.004,904 188.338,905 56.35,906 16.786,908 67.828,911 56.35,912 256.166,913 16.786,915 15.207,916 18.952,917 109.066,918 21.28,920 164.795,922 188.338,923 73.136,924 67.828,927 188.338,928 67.828,931 33.302,932 23.048,933 16.786,935 188.338,936 84.614,937 56.35,940 188.338,941 19.303,942 37.047,944 84.614,945 188.338,946 84.614,947 56.35,949 0.532,950 0.26,951 0.127,952 0.066,953 5,954 2,955 0.219,956 7,958 1,959 2.924,960 77.557,962 6,963 58.603,968 11.865,969 7.133,970 5.974,972 84.614,973 7.678,974 4.045,978 1.26,980 42.683,981 329.301,982 19,987 10.245,991 -0.692,994 31.825,995 36.239,996 0.284,997 0.594,998 0.75,999 0.863,1000 0.9,1001 0.925,1002 4.103,1003 -0.387,1004 4.745,1005 0.603,1006 3.555,1007 4.025,1008 2.258,1009 5.252,1010 3.53,1011 5.183,1012 -0.852,1013 6.107,1014 -0.844,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.372,1021 -1,1022 7.56,1023 -1.794,1024 4.844,1025 5.89,1026 3.628,1027 8.47,1028 4.802,1029 7.591,1030 -1,1031 9.068,1032 -2,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.585,1038 8.841,1039 -1.322,1040 10.616,1041 -2.347,1042 6.354,1043 8.039,1044 5.201,1045 12.01,1046 6.295,1047 10.111,1048 -1.732,1049 12.192,1050 -2.968,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.506,1056 11.397,1057 -1.948,1058 13.789,1059 -4.127,1060 7.979,1061 10.324,1062 6.849,1063 15.714,1064 7.902,1065 2.522,1066 -2,1067 15.402,1068 -4.644,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.373,1074 2.234,1075 6.965,1076 17.027,1077 -4.789,1078 9.673,1079 12.677,1080 8.526,1081 19.505,1082 9.579,1083 1.732,1084 5.184,1085 18.662,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.211,1092 1.466,1093 3.518,1094 20.303,1095 2.71,1096 11.412,1097 15.067,1098 10.216,1099 23.34,1100 11.301,1101 1,1102 3.048,1103 21.95,1104 2.119,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.036,1110 1,1111 2.136,1112 23.602,1113 1.707,1114 13.182,1115 17.481,1116 11.912,1117 27.198,1118 13.053,1119 0.285,1120 2.06,1121 25.257,1122 1.5,1123 13.981,1124 18.446,1125 12.755,1126 29.119,1127 13.853,1128 1963,1129 3447,1130 9.822,1131 20.006,1132 20.558,1133 20.825,1134 20.666,1135 20.497,1136 20.48,1137 25.735,1138 4.682,1139 47.027,1140 20.181,1141 4.818,1142 5.596,1143 5.167,1144 4.548,1145 4.522,1146 6.444,1147 3.925,1148 11.754,1149 4.451,1150 6.737,1151 1.371,1152 1.388,1153 1.378,1154 1.366,1155 1.365,1156 1.716,1157 0.312,1158 3.135,1159 1.345,1160 3.909,1161 3.955,1162 3.829,1163 3.812,1164 7.474,1165 3.809,1166 3.735,1167 3.786,1168 3.606,1169 3.597,1170 6.351,1171 3.588,1172 3.493,1173 3.54,1174 3.363,1175 3.312,1176 4.895,1177 3.312,1178 3.175,1179 3.226,1180 3.016,1181 2.963,1182 4.139,1183 2.968,1184 2.851,1185 2.917,1186 2.665,1187 2.652,1188 3.879,1189 2.65,1190 2.751,1191 2.839,1192 2.607,1193 2.514,1194 3.772,1195 2.527,1196 2.55,1197 2.646,1198 2.282,1199 2.285,1200 3.515,1201 2.276,1202 2.277,1203 2.415,1204 1.894,1205 1.939,1206 3.107,1207 1.908,1208 0.26,1209 0.24,1210 0.356,1211 0.234,1212 0.168,1213 3.896,1214 0.23,1215 3.596,1216 0.156,1217 5.34,1218 0.464,1219 3.513,1220 0.167,1221 2.522,1222 3.444,1223 2.341,1224 6.965,1225 2.498,1226 1.884,1227 1.843,1228 2.057,1229 2.01,1230 1.385,1231 2.026,1232 1.727,1233 1.674,1234 1.934,1235 1.894,1236 1.15,1237 1.911,1238 1.463,1239 1.41,1240 1.716,1241 1.678,1242 0.89,1243 1.687,1244 1.129,1245 1.075,1246 1.419,1247 1.393,1248 0.613,1249 1.395,1250 0.827,1251 0.767,1252 1.141,1253 1.101,1254 0.292,1255 1.115,1256 0.707,1257 0.622,1258 1.019,1259 0.983,1260 0.073,1261 1.002,1262 0.535,1263 0.447,1264 0.916,1265 0.854,1267 0.887,1268 0.292,1269 0.163,1270 0.799,1271 0.68,1273 0.738,1274 3.434,1276 4.595,1278 5.922,1280 7.323,1282 8.764,1289 8.44,1290 5.357,1300 18.665,1301 45.494,1302 94.98,1303 120,1304 138,1305 144,1306 148,1307 27.953,1308 5.198,1309 50.19,1310 50.19,1311 6,1312 10.782,1313 3,1314 2.322,1315 31.683,1316 49,1317 38,1318 0.314,1319 121.562,1320 210.92,1321 288.372,1322 958,1324 10.933,1325 0.729,1326 0.59,1327 10.933,1328 8.855,1329 7.288,1330 0.486,1331 0.36,1332 5.349,1333 7.064,1334 5.243,1335 4.405,1336 7.288,1337 5.395,1338 5.889,1339 0.346,1340 0.216,1341 5.889,1342 3.669,1343 3.869,1344 0.228,1345 0.137,1346 3.869,1347 2.329,1348 2.815,1349 0.156,1350 0.084,1351 2.815,1352 1.505,1353 2.047,1354 0.108,1355 0.05,1356 2.047,1357 0.953,1358 0.516,1359 45.381,1360 0.319,1361 16.187,1362 0.788,1363 64,1364 201.53,1365 69.816,1366 193.4,1367 245.47,1368 178,1369 66,1370 160.779,1371 70.157,1372 162.771,1373 225.16,1374 152,1375 7.167} {0 CHEMBL542053,1 1.578,2 7.882,3 1.579,4 2.493,5 65.599,6 7.871,7 0.611,8 3.468,9 3.573,10 3.07,11 3.015,12 4.711,13 3.011,14 3.906,15 4.056,16 3.344,17 3.347,18 5.249,19 3.315,20 4.074,21 4.264,22 3.15,23 3.407,24 5.142,25 3.3,26 4.109,27 4.361,28 3.079,29 3.324,30 5.063,31 3.21,32 3.945,33 4.15,34 3.139,35 3.243,36 5.094,37 3.169,38 3.97,39 4.191,40 3.008,41 3.12,42 5.155,43 3.05,44 3.726,45 3.955,46 2.751,47 2.828,48 4.907,49 2.757,50 3.486,51 3.716,52 2.305,53 2.432,54 4.738,55 2.344,56 0.043,57 0.407,58 5.206,59 2.479,60 7.849,61 2.994,62 0.212,63 0.627,64 9.039,65 3.705,66 28.66,67 4.7,68 0.135,69 0.68,70 11.691,71 5.091,72 23.309,73 6.605,74 0.183,75 0.684,76 13.914,77 5.169,78 28.561,79 7.207,80 0.085,81 0.595,82 10.582,83 4.409,84 13.136,85 5.925,86 0.201,87 0.576,88 11.933,89 4.118,90 32.22,91 5.346,92 0.132,93 0.444,94 9.381,95 3.259,96 23.254,97 4.332,98 0.281,99 0.321,100 8.055,101 2.284,102 33.593,103 2.893,104 8,105 23,106 0.302,107 0.662,108 0.85,109 0.916,110 0.916,111 0.916,112 2.906,113 0.866,114 -2.99,115 -2.99,116 -2.88,118 44.8,124 1,133 2,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 3,191 1,194 7,195 1,198 4,203 1,206 3,207 2,210 6,215 2,218 1,219 2,222 5,227 2,230 1,234 3,235 1,239 1,246 1,247 1,250 1,260 1,270 320,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.773,277 10.659,278 7.101,279 11.612,280 8.933,281 8.933,282 8.933,283 8.933,284 8.933,285 6.467,286 15.208,287 3.446,288 9.216,289 3.28,290 1.398,291 0.414,292 0.069,293 0.069,294 0.069,295 3.561,299 1,300 1,301 277,302 2.739,305 47.795,306 57.97,313 1.419,314 13.877,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37,326 134,327 4.137,328 3.474,329 5.687,330 3.742,331 2.762,332 3.743,333 1.437,334 8.019,335 2.719,336 3.896,337 2.942,338 5.34,339 3.436,340 2.488,341 3.452,342 0.522,343 6.979,344 2.354,345 3.639,346 2.512,347 4.882,348 3.197,349 2.202,350 2.928,352 5.668,353 2.16,354 3.3,355 2.088,356 4.585,357 2.914,358 1.923,359 2.532,361 4.967,362 1.895,363 2.725,364 1.325,365 3.519,366 2.243,367 1.261,368 1.808,370 2.732,371 1.238,372 2.551,373 1.148,374 3.394,375 2.043,376 1.102,377 1.572,379 2.452,380 1.033,381 2.3,382 0.871,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 2.118,391 0.618,392 2.94,393 1.551,394 0.547,395 0.887,397 1.217,398 0.544,399 1.163,400 0.384,401 2.653,402 0.827,403 -0.139,404 -0.176,406 -0.373,407 -0.134,408 0.798,409 0.077,410 2,411 0.414,412 -0.591,413 -0.733,415 -1.504,416 -0.584,417 0.486,418 -0.504,419 1.801,420 0.027,421 -0.941,422 -1.253,424 -2,425 -0.908,426 0.47,427 -0.835,428 1.503,430 -1,431 -1.376,433 -2.45,434 -0.964,435 -0.023,436 -1.13,437 1.173,438 -0.256,439 -1.234,440 -1.701,442 -3.281,443 -1.249,444 -0.118,445 -1.38,446 1,447 -0.581,448 -1.539,449 -2.047,451 -3.533,452 -1.452,453 -0.132,454 -1.618,455 1,456 -0.706,457 -1.618,458 -2.427,460 -4.372,461 -1.498,462 7.967,463 0.469,464 0.349,465 0.021,466 23.75,467 1.397,468 13,469 0.765,470 10.75,471 0.632,472 8.884,473 0.523,474 17.833,475 0.615,476 14.989,477 0.882,478 5.106,479 0.3,480 3.131,481 0.184,482 0.084,484 0.238,487 0.812,488 1.299,489 0.754,490 1.025,491 0.73,492 0.906,493 0.623,494 0.94,495 0.932,496 0.935,497 0.383,498 0.962,499 0.745,500 1.155,501 1.166,502 1.252,503 0.767,504 1.29,505 0.645,506 0.855,507 0.884,508 0.886,509 0.583,510 0.918,511 0.594,512 1.174,513 0.836,514 1.161,515 0.529,516 1.068,517 1.222,518 0.957,519 1.056,520 0.958,521 1.211,522 0.969,523 1.098,524 1.121,525 0.984,526 1.097,527 1.117,528 1.033,529 1.695,530 0.716,531 1.364,532 0.777,533 2.089,534 0.984,535 3.5,536 0.04,537 0.889,538 0.722,539 0.497,540 0.313,541 0.244,542 0.111,543 0.081,544 0.055,545 2437,546 8217,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.566,559 1.925,560 3.024,561 -0.256,563 1,564 1,565 1,567 45.756,568 1.578,569 3.46,570 4.444,571 4.789,572 4.789,573 4.789,574 2.469,575 3.617,576 4.057,577 3.158,578 429.514,579 6.845,580 4004.06,582 1,584 1,585 140.881,586 1.261,587 4.03,588 0.194,589 0.01,590 0.039,591 0.04,592 0.029,593 0.017,594 0.016,595 0.01,596 0.013,597 0.009,598 0.379,599 0.67,600 1,601 1.325,602 71.581,603 -0.085,604 -0.198,605 0.014,606 -0.036,607 -0.101,608 -0.005,609 0.141,610 0.182,611 -0.104,612 0.013,613 0.245,614 -0.065,615 -0.092,616 -0.193,617 -0.29,618 -0.247,619 -0.095,620 -0.3,621 -0.009,622 0.076,623 0.094,624 0.106,625 0.003,626 0.121,627 0.054,628 -0.222,629 0.078,630 -0.162,631 0.097,632 -0.06,633 -0.159,634 -0.018,635 -0.048,636 -0.003,637 -0.127,639 -0.067,640 -0.207,641 0.039,642 -0.141,643 -0.061,644 -0.049,645 -0.067,646 0.192,647 -0.237,648 0.128,649 -0.377,650 -0.065,651 2.606,652 3.415,653 0.647,654 12.381,655 1.01,656 1.12,657 1.759,658 3.093,659 0.68,660 2.944,661 3.178,662 3.296,663 3.497,664 3.555,665 3.526,666 3.584,667 3.555,668 3.526,669 3.219,670 4.958,671 0.659,672 228.27,673 2.944,674 4.419,675 5.198,676 6.023,677 6.823,678 7.653,679 8.462,680 9.293,681 10.107,682 10.939,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 29,726 13,727 1,728 18,730 30,731 13,733 9,734 2,735 4,736 3,739 2,740 2,753 12,754 1,756 2,761 1,763 2,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,822 2,830 1,832 2,840 17,845 1,846 1,862 6.9,864 1,865 1,869 8.833,870 5.017,871 3.833,872 1.528,874 2.4,875 1.409,876 0.935,877 3.604,878 8.263,879 3.277,880 3.801,881 4.271,882 4.772,883 5.104,884 5.268,885 5.655,886 5.92,887 6.224,888 6.18,889 1,890 18,891 6.205,893 2.515,894 8,895 11.575,897 8.922,899 2.5,900 42.5,901 0.001,904 129.482,905 92.958,906 18.685,908 67.828,911 92.958,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 17.318,919 11.771,920 94.169,922 129.482,923 111.642,924 67.828,927 129.482,928 67.828,931 21.671,932 54.233,933 35.738,935 129.482,936 86.513,937 92.958,940 129.482,941 9.387,942 85.47,944 84.614,945 129.482,946 86.513,947 92.958,949 0.56,950 0.288,951 0.153,952 0.079,953 10,954 4,955 0.133,956 4,958 1,959 3.059,960 107.267,962 11,963 67.487,968 11.459,969 5.347,970 3.486,972 84.614,973 13.107,974 3.972,978 1.987,979 1.958,980 42.683,981 308.953,982 25.5,987 10.415,989 2.718,991 -0.94,994 29.276,995 32.491,996 0.325,997 0.712,998 0.915,999 0.986,1000 0.986,1001 0.986,1002 4.44,1003 0.547,1004 5.13,1005 1.372,1006 3.85,1007 4.483,1008 1.736,1009 5.79,1010 3.794,1011 5.617,1012 -0.139,1013 6.586,1014 1.217,1015 3.219,1016 3.98,1018 6.326,1019 3.141,1020 6.874,1021 -0.591,1022 8.131,1023 -0.373,1024 5.293,1025 6.561,1026 2.269,1027 9.339,1028 5.186,1029 8.163,1030 -0.941,1031 9.725,1032 -1.504,1033 5.442,1034 6.872,1036 10.67,1037 5.305,1038 9.477,1039 -1,1040 11.352,1041 -2,1042 6.961,1043 8.854,1044 2.925,1045 13.146,1046 6.806,1047 10.808,1048 -1.234,1049 12.999,1050 -2.45,1051 7.492,1052 9.572,1054 14.835,1055 7.305,1056 12.153,1057 -1.539,1058 14.661,1059 -3.281,1060 8.753,1061 11.263,1062 3.619,1063 17.091,1064 8.554,1065 2.762,1066 -1.618,1067 16.334,1068 -3.533,1069 9.489,1070 12.21,1072 18.963,1073 9.262,1074 2.488,1075 8.019,1076 18.015,1077 -4.372,1078 10.621,1079 13.743,1080 4.33,1081 21.118,1082 10.384,1083 2.202,1084 6.979,1085 19.703,1086 3.743,1087 11.473,1088 14.826,1090 23.084,1091 11.212,1092 1.923,1093 5.668,1094 21.396,1095 3.452,1096 12.539,1097 16.269,1098 5.047,1099 25.193,1100 12.268,1101 1.261,1102 4.967,1103 23.093,1104 2.928,1105 13.457,1106 17.436,1108 27.21,1109 13.167,1110 1.102,1111 2.732,1112 24.794,1113 2.532,1114 14.49,1115 18.826,1116 5.769,1117 29.298,1118 14.189,1119 0.618,1120 2.452,1121 26.499,1122 1.808,1123 15.446,1124 20.044,1126 31.341,1127 15.129,1128 2485,1129 4632,1130 12.019,1131 19.727,1132 26.665,1133 26.388,1134 25.999,1135 25.804,1136 25.807,1137 35.699,1138 3.916,1139 66.811,1140 25.042,1141 4.907,1142 5.474,1143 5.303,1144 4.775,1145 4.762,1146 6.743,1147 2.873,1148 13.753,1149 4.719,1150 7.162,1151 1.481,1152 1.466,1153 1.444,1154 1.434,1155 1.434,1156 1.983,1157 0.218,1158 3.712,1159 1.391,1160 4.004,1161 4.05,1162 3.944,1163 3.916,1164 7.476,1165 3.915,1166 3.827,1167 3.875,1168 3.769,1169 3.651,1170 6.351,1171 3.677,1172 3.542,1173 3.552,1174 3.481,1175 3.381,1176 4.963,1177 3.396,1178 3.088,1179 3.147,1180 2.972,1181 2.932,1182 4.733,1183 2.928,1184 2.953,1185 2.985,1186 2.825,1187 2.749,1188 4.129,1189 2.768,1190 2.588,1191 2.669,1192 2.406,1193 2.375,1194 3.795,1195 2.369,1196 2.495,1197 2.58,1198 2.301,1199 2.264,1200 3.455,1201 2.275,1202 2.431,1203 2.532,1204 2.237,1205 2.2,1206 3.358,1207 2.194,1208 0.23,1209 0.193,1210 0.316,1211 0.208,1212 0.153,1213 4.137,1214 0.208,1215 3.474,1216 0.08,1217 5.687,1218 0.445,1219 3.742,1220 0.151,1221 2.762,1222 3.743,1223 1.437,1224 8.019,1225 2.719,1226 1.949,1227 1.923,1228 2.058,1229 2.034,1230 1.205,1231 2.043,1232 1.565,1233 1.519,1234 1.72,1235 1.773,1236 0.854,1237 1.758,1238 1.42,1239 1.38,1240 1.583,1241 1.629,1242 0.586,1243 1.606,1244 1.29,1245 1.221,1246 1.466,1247 1.525,1248 0.431,1249 1.512,1250 0.922,1251 0.868,1252 1.186,1253 1.162,1254 0.226,1255 1.148,1256 0.873,1257 0.843,1258 1.085,1259 1.102,1260 0.101,1261 1.124,1262 0.483,1263 0.422,1264 0.87,1265 0.808,1267 0.839,1268 0.393,1269 0.283,1270 0.802,1271 0.681,1273 0.741,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.76,1281 6.26,1282 9.294,1289 8.552,1290 0.731,1300 19.106,1301 45.756,1302 100.352,1303 128.881,1304 138.881,1305 138.881,1306 138.881,1307 21.708,1308 5.864,1309 55.12,1310 55.12,1311 11,1312 11.515,1313 3.807,1314 3.087,1315 28.522,1316 50,1317 44,1318 0.284,1319 121.773,1320 208.04,1321 288.887,1322 2190,1324 12.088,1325 0.711,1326 0.538,1327 12.088,1328 9.153,1329 8.237,1330 0.458,1331 0.289,1332 5.121,1333 7.915,1334 5.01,1335 4.194,1336 8.237,1337 5.196,1338 7.256,1339 0.315,1340 0.159,1341 7.256,1342 3.652,1343 5.185,1344 0.199,1345 0.088,1346 5.185,1347 2.294,1348 4.165,1349 0.13,1350 0.049,1351 4.165,1352 1.554,1353 2.951,1354 0.087,1355 0.027,1356 2.951,1357 0.925,1358 0.444,1359 51.69,1360 0.288,1361 17.465,1362 0.779,1363 82,1364 271.175,1365 89.953,1366 264.016,1367 346.78,1368 244,1369 90,1370 241.596,1371 96.849,1372 247.619,1373 349.01,1374 230,1375 7.495} {0 CHEMBL542300,1 1.544,2 7.944,3 2.025,4 4.101,5 69.881,6 7.572,7 0.579,8 3.554,9 3.664,10 3.122,11 3.098,12 4.765,13 3.083,14 4.013,15 4.18,16 3.415,17 3.442,18 5.283,19 3.401,20 4.17,21 4.348,22 3.306,23 3.522,24 5.279,25 3.423,26 4.305,27 4.548,28 3.203,29 3.462,30 5.338,31 3.353,32 4.098,33 4.306,34 3.243,35 3.403,36 5.206,37 3.311,38 4.161,39 4.4,40 3.123,41 3.306,42 5.264,43 3.21,44 3.913,45 4.14,46 2.861,47 3.031,48 5.026,49 2.927,50 3.785,51 4.069,52 2.503,53 2.684,54 4.874,55 2.574,56 0.032,57 0.446,58 6.156,59 2.819,60 7.912,61 3.553,62 0.214,63 0.691,64 10.936,65 4.319,66 31.814,67 5.739,68 0.073,69 0.758,70 12.878,71 5.72,72 17.468,73 7.549,74 0.287,75 0.791,76 17.482,77 6.073,78 50.524,79 8.193,80 0.069,81 0.694,82 12.601,83 5.271,84 15.538,85 7.201,86 0.197,87 0.691,88 14.824,89 5.182,90 34.678,91 7.059,92 0.104,93 0.541,94 11.17,95 4.067,96 23.869,97 5.558,98 0.334,99 0.435,100 11.491,101 3.054,102 38.67,103 4.329,104 13,105 25,106 0.289,107 0.681,108 0.85,109 0.897,110 0.897,111 0.897,112 2.959,113 0.886,114 -3.25,115 -3.24,116 -3.11,118 43.8,119 1,124 1,133 1,134 1,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 2,175 1,177 1,180 10,181 2,186 4,191 2,194 8,195 1,198 4,203 1,206 5,207 2,210 6,215 2,218 3,219 2,222 5,227 2,229 1,230 1,234 4,235 1,239 1,246 1,247 1,250 1,259 1,260 1,270 350,271 11.93,272 11.93,273 11.93,274 11.93,275 11.93,276 10.181,277 11.822,278 7.231,279 12.112,280 9.391,281 9.391,282 9.391,283 9.391,284 9.391,285 6.847,286 15.733,287 3.469,288 9.673,289 3.456,290 1.363,291 0.461,292 0.211,293 0.211,294 0.211,295 3.612,299 1,300 1,301 294,302 3.082,305 51.304,306 62.398,313 1.395,314 15.193,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 39,326 143,327 4.202,328 3.593,329 5.843,330 3.803,331 2.81,332 3.787,333 1.437,334 8.203,335 2.791,336 4.001,337 2.944,338 5.629,339 3.608,340 2.637,341 3.489,342 0.522,343 7.576,344 2.568,345 3.814,346 2.538,347 5.287,348 3.351,349 2.393,350 3.271,352 6.677,353 2.27,354 3.303,355 2.186,356 4.832,357 2.92,358 1.931,359 2.547,361 5.454,362 1.902,363 2.761,364 1.805,365 3.58,366 2.259,367 1.274,368 1.823,370 2.778,371 1.251,372 2.576,373 1.276,374 3.429,375 2.043,376 1.105,377 1.573,379 2.46,380 1.033,381 2.548,382 1.139,383 3.393,384 2.007,385 1,386 1.438,388 2.272,389 0.992,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.173,400 0.439,401 2.667,402 0.834,403 -0.136,404 -0.172,406 -0.357,407 -0.131,408 1.025,409 0.077,410 2.413,411 0.759,412 -0.236,413 -0.281,415 -0.619,416 -0.235,417 0.519,418 -0.072,419 1.804,420 0.03,421 -0.934,422 -1.238,424 -2,425 -0.899,426 0.47,427 -0.799,428 1.712,430 -1,431 -1.268,433 -2.286,434 -0.961,435 0.406,436 -0.881,437 1.365,439 -1,440 -1.462,442 -2.646,443 -1,444 -0.105,445 -1.198,446 1.189,447 -0.467,448 -1.451,449 -1.765,451 -3.504,452 -1.428,453 -0.118,454 -1.381,455 1.023,456 -0.585,457 -1.546,458 -2.047,460 -4.18,461 -1.477,462 8.467,463 0.47,464 0.438,465 0.024,466 24.25,467 1.347,468 13,469 0.722,470 11.25,471 0.625,472 10.857,473 0.603,474 19.133,475 0.598,476 15.823,477 0.879,478 5.141,479 0.286,480 3.507,481 0.195,482 0.138,484 0.283,487 0.805,488 1.312,489 0.787,490 1.058,491 0.733,492 0.944,493 0.598,494 0.884,495 0.858,496 0.867,497 0.395,498 0.882,499 0.679,500 1.288,501 1.123,502 1.381,503 0.683,504 1.342,505 1.192,506 0.778,507 1.043,508 0.798,509 1.221,510 0.883,511 0.56,512 1.193,513 0.88,514 1.196,515 0.512,516 1.113,517 1.079,518 0.93,519 0.988,520 0.942,521 1.069,522 0.947,523 0.974,524 1.319,525 1.067,526 1.292,527 1.017,528 1.218,529 1.464,530 0.459,531 1.061,532 0.475,533 1.614,534 0.658,535 4,536 0.04,537 1.333,538 0.972,539 0.577,540 0.396,541 0.284,542 0.174,543 0.117,544 0.08,545 2764,546 8768,547 1.994,548 43.8,549 3,550 7,551 1,552 2,553 1,558 1.585,559 1.862,560 3.045,561 -0.28,563 1,564 1,565 1,567 49.394,568 1.544,569 3.637,570 4.539,571 4.789,572 4.789,573 4.789,574 2.461,575 3.086,576 4.142,577 3.174,578 485.679,579 7.02,580 4703.33,581 1,582 1,584 1,585 160,586 1.415,587 4.096,588 0.211,589 0.01,590 0.053,591 0.046,592 0.03,593 0.02,594 0.017,595 0.014,596 0.015,597 0.01,598 0.426,599 0.67,600 1,601 1.357,602 77.234,603 -0.072,604 -0.186,605 0.018,606 -0.036,607 -0.097,608 -0.006,609 0.166,610 0.235,611 0.012,612 0.109,613 0.232,614 0.054,615 -0.04,616 -0.292,617 -0.261,618 -0.36,619 -0.022,620 -0.352,621 -0.18,622 0.142,623 -0.039,624 0.174,625 -0.172,626 0.105,627 0.051,628 -0.225,629 0.021,630 -0.184,631 0.081,632 -0.103,633 -0.101,634 0.002,635 0.008,636 0.023,637 -0.074,638 0.036,639 -0.034,640 -0.394,641 -0.089,642 -0.328,643 -0.054,644 -0.24,645 -0.023,646 0.45,647 0.073,648 0.408,649 -0.192,650 0.28,651 2.56,652 3.764,653 0.611,654 13.16,655 1.005,656 1.122,657 2.022,658 4.089,659 0.672,660 2.996,661 3.258,662 3.401,663 3.555,664 3.611,665 3.611,666 3.664,667 3.689,668 3.611,669 3.367,670 5.031,671 0.645,672 242.3,673 2.996,674 4.489,675 5.283,676 6.116,677 6.929,678 7.764,679 8.583,680 9.42,681 10.241,682 11.079,683 6.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 32,726 13,727 1,728 19,730 33,731 14,733 9,734 2,735 4,736 3,739 2,740 2,745 1,753 12,754 2,756 2,761 1,763 1,765 2,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 1,840 18,845 1,846 1,862 6.3,864 1,865 1,869 9.667,870 5.933,871 4.028,872 1.729,874 2.415,875 1.405,876 0.932,877 3.826,878 8.379,879 3.314,880 3.866,881 4.339,882 4.822,883 5.157,884 5.356,885 5.738,886 6.055,887 6.282,888 6.299,889 1,890 21,891 6.593,893 2.684,894 7.954,895 12.35,897 9.569,899 2.454,900 44.167,901 0.001,904 153.024,905 95.492,906 18.685,908 67.828,911 95.492,912 220.853,913 18.685,914 8.825,915 2.106,916 56.429,917 117.684,918 20.503,919 11.771,920 117.711,922 153.024,923 114.177,924 67.828,927 153.024,928 67.828,931 30.496,932 57.419,933 26.262,935 153.024,936 86.513,937 95.492,940 153.024,941 12.572,942 84.819,944 84.614,945 153.024,946 86.513,947 95.492,949 0.572,950 0.313,951 0.149,952 0.073,953 11,954 5,955 0.121,956 4,958 1,959 3.093,960 118.08,962 11,963 75.059,968 12.431,969 5.54,970 3.482,972 84.614,973 13.186,974 3.986,978 2.007,979 1.965,980 42.683,981 335.029,982 26.5,987 10.764,989 1.666,991 -0.565,994 32.16,995 35.907,996 0.309,997 0.727,998 0.908,999 0.958,1000 0.958,1001 0.958,1002 4.497,1003 0.618,1004 5.242,1005 2.272,1006 3.932,1007 4.549,1008 1.736,1009 5.943,1010 3.88,1011 5.694,1012 -0.136,1013 6.737,1014 1.372,1015 3.434,1016 4.182,1018 6.589,1019 3.372,1020 6.973,1021 -0.236,1022 8.325,1023 -0.357,1024 5.425,1025 6.656,1026 2.269,1027 9.598,1028 5.331,1029 8.285,1030 -0.934,1031 9.964,1032 -0.619,1033 5.707,1034 7.078,1036 11,1037 5.602,1038 9.622,1039 -1,1040 11.633,1041 -2,1042 7.16,1043 8.985,1044 2.925,1045 13.488,1046 7.034,1047 10.976,1048 -1,1049 13.322,1050 -2.286,1051 7.799,1052 9.784,1054 15.216,1055 7.661,1056 12.343,1057 -1.451,1058 15.024,1059 -2.646,1060 9.018,1061 11.426,1062 3.619,1063 17.49,1064 8.866,1065 2.81,1066 -1.546,1067 16.735,1068 -3.504,1069 9.833,1070 12.43,1072 19.384,1073 9.672,1074 2.637,1075 8.203,1076 18.452,1077 -4.18,1078 10.944,1079 13.93,1080 4.33,1081 21.559,1082 10.772,1083 2.393,1084 7.576,1085 20.174,1086 3.787,1087 11.85,1088 15.053,1090 23.54,1091 11.671,1092 1.931,1093 6.677,1094 21.9,1095 3.489,1096 12.909,1097 16.475,1098 5.047,1099 25.668,1100 12.721,1101 1.274,1102 5.454,1103 23.629,1104 3.271,1105 13.864,1106 17.669,1108 27.697,1109 13.67,1110 1.105,1111 2.778,1112 25.361,1113 2.547,1114 14.898,1115 19.047,1116 5.769,1117 29.803,1118 14.698,1119 1,1120 2.46,1121 27.095,1122 1.823,1123 15.88,1124 20.286,1126 31.858,1127 15.675,1128 2828,1129 5103,1130 12.425,1131 21.489,1132 28.329,1133 28.318,1134 27.95,1135 27.512,1136 27.537,1137 37.709,1138 3.916,1139 73.582,1140 26.769,1141 4.972,1142 5.593,1143 5.458,1144 4.836,1145 4.81,1146 6.787,1147 2.873,1148 14.148,1149 4.791,1150 8.845,1151 1.491,1152 1.49,1153 1.471,1154 1.448,1155 1.449,1156 1.985,1157 0.206,1158 3.873,1159 1.409,1160 4.008,1161 4.053,1162 3.949,1163 3.923,1164 7.475,1165 3.922,1166 3.836,1167 3.884,1168 3.779,1169 3.659,1170 6.351,1171 3.685,1172 3.613,1173 3.637,1174 3.545,1175 3.48,1176 4.963,1177 3.488,1178 3.088,1179 3.149,1180 2.976,1181 2.941,1182 4.732,1183 2.933,1184 3.009,1185 3.04,1186 2.859,1187 2.764,1188 4.198,1189 2.768,1190 2.882,1191 2.959,1192 2.665,1193 2.632,1194 3.802,1195 2.657,1196 2.553,1197 2.645,1198 2.365,1199 2.368,1200 3.616,1201 2.353,1202 2.447,1203 2.552,1204 2.244,1205 2.222,1206 3.399,1207 2.211,1208 0.221,1209 0.189,1210 0.308,1211 0.2,1212 0.148,1213 4.202,1214 0.199,1215 3.593,1216 0.076,1217 5.843,1218 0.432,1219 3.803,1220 0.147,1221 2.81,1222 3.787,1223 1.437,1224 8.203,1225 2.791,1226 1.954,1227 1.929,1228 2.063,1229 2.038,1230 1.212,1231 2.047,1232 1.624,1233 1.587,1234 1.8,1235 1.809,1236 0.927,1237 1.802,1238 1.472,1239 1.414,1240 1.655,1241 1.676,1242 0.754,1243 1.672,1244 1.292,1245 1.222,1246 1.47,1247 1.525,1248 0.443,1249 1.513,1250 0.936,1251 0.872,1252 1.257,1253 1.269,1254 0.312,1255 1.238,1256 0.911,1257 0.844,1258 1.186,1259 1.122,1260 0.226,1261 1.147,1262 0.84,1263 0.813,1264 1.045,1265 1.091,1266 0.006,1267 1.119,1268 0.427,1269 0.318,1270 0.867,1271 0.721,1273 0.779,1274 3.664,1276 4.934,1277 2.398,1278 6.372,1279 4.443,1280 7.883,1281 6.26,1282 9.433,1284 1.588,1289 8.839,1290 0.73,1300 20.633,1301 49.394,1302 116.39,1303 145.245,1304 153.245,1305 153.245,1306 153.245,1307 26.357,1308 5.964,1309 55.12,1310 55.12,1311 11,1312 11.65,1313 3.807,1314 3.087,1315 31.048,1316 55,1317 42,1318 0.287,1319 131.366,1320 225.34,1321 312.292,1322 2462,1324 12.958,1325 0.72,1326 0.56,1327 12.958,1328 10.076,1329 8.648,1330 0.455,1331 0.295,1332 5.538,1333 8.333,1334 5.355,1335 4.508,1336 8.648,1337 5.612,1338 7.742,1339 0.31,1340 0.165,1341 7.742,1342 4.113,1343 5.876,1344 0.203,1345 0.09,1346 5.876,1347 2.596,1348 4.346,1349 0.128,1350 0.05,1351 4.346,1352 1.684,1353 3.002,1354 0.083,1355 0.027,1356 3.002,1357 0.984,1358 0.446,1359 54.154,1360 0.284,1361 18.288,1362 0.792,1363 88,1364 279.175,1365 95.953,1366 272.836,1367 359.93,1368 252,1369 98,1370 252.596,1371 105.513,1372 260.463,1373 368.37,1374 241,1375 8.398} {0 CHEMBL542301,1 1.533,2 8.933,3 1.464,4 2.143,5 58.815,6 6.719,7 0.333,8 3.491,9 3.623,10 2.938,11 2.94,12 4.604,13 2.91,14 4.003,15 4.208,16 3.137,17 3.26,18 5.156,19 3.175,20 4.215,21 4.483,22 2.862,23 3.287,24 5.096,25 3.12,26 4.149,27 4.438,28 2.767,29 3.173,30 5.008,31 3.003,32 3.991,33 4.273,34 2.672,35 3.016,36 4.89,37 2.865,38 3.846,39 4.111,40 2.585,41 2.886,42 4.826,43 2.752,44 3.75,45 4.029,46 2.482,47 2.776,48 4.684,49 2.637,50 3.608,51 3.885,52 2.37,53 2.611,54 4.534,55 2.489,56 0.023,57 0.428,58 7.079,59 2.689,60 7.473,61 3.881,62 0.21,63 0.628,64 12.486,65 4.166,66 35.266,67 6.274,68 0.193,69 0.641,70 15.82,71 5.253,72 35.934,73 7.874,74 0.188,75 0.578,76 14.906,77 4.754,78 33.836,79 7.275,80 0.173,81 0.493,82 12.761,83 3.924,84 30.209,85 6.02,86 0.155,87 0.431,88 11.019,89 3.309,90 27.862,91 5.062,92 0.125,93 0.393,94 9.96,95 2.904,96 21.531,97 4.595,98 0.118,99 0.336,100 8.685,101 2.372,102 19.201,103 3.815,104 13,105 17,106 0.298,107 0.644,108 0.824,109 0.874,110 0.899,111 0.899,112 2.787,113 1.023,114 -2.68,115 -2.7,116 -2.63,118 35.5,120 4,124 1,133 2,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9,277 11.168,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.911,286 11.501,287 3.241,288 7.742,289 3.421,290 1.64,291 0.71,292 0.452,293 0.323,294 0.323,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 13.438,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 33,326 134,327 3.927,328 3.596,329 5.352,330 3.458,331 2.542,332 3.485,333 2.341,334 6.997,335 2.329,336 3.55,337 2.709,338 4.659,339 3.241,340 2.235,341 2.711,342 0.522,343 5.184,344 2.222,345 3.171,346 2.083,347 3.822,348 2.779,349 1.784,350 2.256,352 3.61,353 1.772,354 2.645,355 1.619,356 3.509,357 2.366,358 1.395,359 1.678,361 2.888,362 1.35,363 2.436,364 1.312,365 3.162,366 2.031,367 1.072,368 1.364,370 2.232,371 1.022,372 2.118,373 0.906,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.666,382 0.618,383 2.652,384 1.511,385 0.526,386 0.576,388 1.09,389 0.515,390 1.091,391 0.564,392 2.131,393 0.85,394 -0.136,395 -0.152,397 -0.292,398 -0.133,399 0.588,400 0.127,401 1.605,402 0.224,403 -0.763,404 -0.896,406 -1.699,407 -0.73,408 0.323,409 -0.496,410 1.059,411 -0.015,412 -1,413 -1.277,415 -2,416 -0.972,417 -0.019,418 -0.894,419 1,420 -0.294,421 -1.253,422 -1.479,424 -2.746,425 -1.221,426 -0.118,427 -1.319,428 1,429 -0.61,430 -1.583,431 -1.897,433 -3.358,434 -1.472,435 -0.347,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.259,441 -0.522,442 -4.156,443 -1.546,444 -0.672,445 -1.713,446 0.37,447 -0.865,448 -1.838,449 -2.427,450 -0.757,451 -4.372,452 -1.773,453 -0.861,454 -1.794,455 0.133,456 -1.024,457 -1.982,458 -2.611,459 -1.584,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 15.75,467 1.05,468 6.5,469 0.433,470 9.25,471 0.617,472 10.362,473 0.691,474 17.633,475 0.569,476 8.818,477 0.588,478 3.198,479 0.213,480 4.09,481 0.273,482 0.096,484 0.129,487 0.82,488 1.628,489 0.913,490 1.334,491 0.702,492 1.169,493 0.586,494 1.202,495 1.043,496 1.212,497 0.396,498 1.194,499 0.865,500 1.008,501 1.055,502 1.085,503 0.915,504 1.109,505 0.795,506 0.894,507 0.92,508 0.942,509 0.813,510 0.955,511 0.927,512 0.886,513 0.939,514 0.908,515 0.944,516 0.926,517 1.082,518 0.958,519 1.031,520 0.968,521 1.049,522 0.989,523 0.898,524 0.967,525 0.961,526 0.96,527 0.782,528 0.961,529 1.035,530 0.972,531 0.984,532 0.933,533 0.977,534 0.935,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6113,547 1.925,548 51.6,549 6,550 4,551 1,552 2,553 1,554 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 47.526,568 1.533,569 3.315,570 4.245,571 4.503,572 4.632,573 4.632,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 153.58,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.063,604 -0.312,605 0.008,606 -0.115,607 -0.035,608 -0.057,609 0.17,610 -0.022,611 -0.11,612 -0.149,613 0.226,614 -0.172,615 -0.086,616 -0.07,617 -0.128,618 -0.084,619 -0.099,620 -0.111,621 -0.041,622 -0.002,623 0.012,624 0.023,625 -0.053,626 0.027,627 -0.075,628 0.013,629 0.01,630 0.046,631 -0.086,632 0.044,633 -0.126,634 -0.031,635 -0.068,636 -0.012,637 -0.077,638 -0.027,639 -0.071,640 -0.033,641 -0.01,642 -0.025,643 -0.007,644 -0.004,645 -0.102,646 -0.039,647 -0.013,648 -0.025,649 -0.104,651 2.377,652 3.215,653 0.333,654 11.271,655 1.001,656 1.139,657 1.454,658 2.114,659 0.621,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.586,672 208.29,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.5,691 1,693 1,699 3,700 1,705 1,706 5,724 31,726 7,728 15,730 31,731 11,733 3,739 1,740 1,751 4,753 6,754 5,756 2,761 1,763 2,765 1,769 1,772 16,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 2,830 1,832 1,840 15,845 1,846 5,862 6.5,864 1,865 1,869 8.167,870 5.183,871 3.583,872 1.889,874 1.345,875 1.262,876 0.875,877 5.597,878 6.487,879 3.02,880 3.376,881 3.621,882 3.999,883 3.758,884 3.884,885 4.09,886 4.056,887 4.021,888 4.123,889 0.833,890 12,891 5.506,892 -0.001,893 2.12,894 7.978,895 10.463,897 7.79,898 -0.001,899 2.478,900 37.167,901 0.003,904 176.567,905 58.82,906 18.685,908 67.828,911 58.82,912 244.395,913 18.685,915 12.244,916 28,917 117.684,918 10.947,919 11.771,920 141.253,922 176.567,923 77.504,924 67.828,927 176.567,928 67.828,931 31.809,932 9.957,933 35.738,935 176.567,936 86.513,937 58.82,940 176.567,941 13.154,942 47.565,944 84.614,945 176.567,946 86.513,947 58.82,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.226,956 7,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.826,969 7.099,970 5.942,972 84.614,973 5.435,974 3.934,979 1.98,980 42.683,981 321.899,982 19.5,987 10.215,989 4.157,991 -0.711,994 31.043,995 35.322,996 0.309,997 0.669,998 0.857,999 0.909,1000 0.935,1001 0.935,1002 4.131,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.052,1008 2.313,1009 5.252,1010 3.479,1011 5.225,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.419,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 5.91,1026 3.632,1027 8.47,1028 4.674,1029 7.646,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.411,1038 8.903,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.028,1044 5.202,1045 12.016,1046 6.068,1047 10.181,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.688,1053 5.889,1054 13.616,1055 6.224,1056 11.474,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.298,1062 6.849,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.225,1071 7.625,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.661,1080 8.526,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.485,1087 10.412,1088 13.735,1089 9.342,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.711,1096 11.465,1097 15.082,1098 10.216,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 2.256,1105 12.261,1106 16.236,1107 11.051,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.678,1114 13.26,1115 17.536,1116 11.912,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.364,1123 14.107,1124 18.733,1125 12.755,1126 29.19,1127 13.036,1128 2036,1129 3694,1130 9.822,1131 19.25,1132 20.83,1133 20.734,1134 20.581,1135 20.346,1136 20.347,1137 25.994,1138 5.725,1139 46.746,1140 19.576,1141 4.789,1142 5.39,1143 5.22,1144 4.482,1145 4.524,1146 6.096,1147 3.925,1148 11.747,1149 4.268,1150 6.767,1151 1.389,1152 1.382,1153 1.372,1154 1.356,1155 1.356,1156 1.733,1157 0.382,1158 3.116,1159 1.305,1160 3.939,1161 4.006,1162 3.871,1163 3.753,1164 7.474,1165 3.77,1166 3.75,1167 3.803,1168 3.623,1169 3.6,1170 6.351,1171 3.599,1172 3.524,1173 3.563,1174 3.419,1175 3.364,1176 4.958,1177 3.367,1178 3.215,1179 3.264,1180 3.068,1181 2.993,1182 4.374,1183 3.003,1184 2.852,1185 2.928,1186 2.642,1187 2.58,1188 3.941,1189 2.587,1190 2.541,1191 2.639,1192 2.301,1193 2.309,1194 3.568,1195 2.296,1196 2.452,1197 2.558,1198 2.233,1199 2.18,1200 3.338,1201 2.179,1202 2.218,1203 2.356,1204 1.887,1205 1.852,1206 3.208,1207 1.838,1208 0.262,1209 0.24,1210 0.357,1211 0.231,1212 0.169,1213 3.927,1214 0.232,1215 3.596,1216 0.156,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.485,1223 2.341,1224 6.997,1225 2.329,1226 1.795,1227 1.742,1228 2.011,1229 1.954,1230 1.316,1231 1.973,1232 1.626,1233 1.569,1234 1.833,1235 1.839,1236 1.038,1237 1.839,1238 1.391,1239 1.339,1240 1.607,1241 1.616,1242 0.811,1243 1.611,1244 1.287,1245 1.219,1246 1.477,1247 1.525,1248 0.487,1249 1.513,1250 1.066,1251 1.012,1252 1.315,1253 1.335,1254 0.343,1255 1.33,1256 0.717,1257 0.642,1258 1.085,1259 1.056,1260 0.189,1261 1.07,1262 0.419,1263 0.311,1264 0.871,1265 0.791,1267 0.836,1268 0.185,1269 0.04,1270 0.736,1271 0.593,1273 0.659,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.413,1290 3.744,1300 18.16,1301 47.526,1302 102.751,1303 131.58,1304 139.58,1305 143.58,1306 143.58,1307 25.89,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3,1314 2.459,1315 31.761,1316 51,1317 38,1318 0.299,1319 118.764,1320 204.62,1321 281.545,1322 894,1324 10.933,1325 0.729,1326 0.578,1327 10.933,1328 8.672,1329 7.288,1330 0.486,1331 0.341,1332 5.039,1333 6.962,1334 4.949,1335 4.156,1336 7.288,1337 5.113,1338 5.889,1339 0.346,1340 0.198,1341 5.889,1342 3.37,1343 3.869,1344 0.228,1345 0.121,1346 3.869,1347 2.054,1348 2.815,1349 0.156,1350 0.069,1351 2.815,1352 1.247,1353 1.559,1354 0.111,1355 0.047,1356 1.559,1357 0.656,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 219.175,1365 71.953,1366 208.342,1367 264.96,1368 192,1369 66,1370 175.596,1371 72.682,1372 176.609,1373 244.72,1374 164,1375 7.252} {0 CHEMBL542302,1 1.432,2 9.222,3 2.749,4 7.559,5 69.547,6 7.312,7 0.632,8 3.567,9 3.673,10 3.104,11 3.164,12 4.735,13 3.128,14 4.043,15 4.198,16 3.376,17 3.513,18 5.257,19 3.44,20 4.293,21 4.493,22 3.292,23 3.608,24 5.297,25 3.486,26 4.318,27 4.573,28 3.113,29 3.504,30 5.24,31 3.352,32 4.142,33 4.391,34 3.138,35 3.371,36 5.163,37 3.251,38 4.014,39 4.23,40 3.011,41 3.196,42 5.19,43 3.104,44 3.842,45 4.093,46 2.644,47 2.96,48 4.842,49 2.828,50 3.519,51 3.775,52 2.42,53 2.713,54 4.371,55 2.572,56 0.022,57 0.421,58 6.55,59 3.172,60 7.91,61 4.002,62 0.141,63 0.67,64 11.385,65 5.11,66 32.902,67 6.774,68 0.133,69 0.821,70 15.796,71 6.64,72 33.93,73 8.808,74 0.167,75 0.823,76 17.328,77 6.738,78 35.526,79 9.326,80 0.066,81 0.692,82 14.178,83 5.81,84 20.513,85 8.105,86 0.13,87 0.6,88 12.523,89 4.621,90 31.316,91 6.095,92 0.134,93 0.495,94 10.958,95 3.943,96 27.56,97 5.348,98 0.035,99 0.363,100 7.587,101 3.081,102 11.136,103 4.333,104 8,105 24,106 0.267,107 0.581,108 0.72,109 0.819,110 0.862,111 0.862,112 2.958,113 0.935,114 -3.5,115 -3.48,116 -3.32,118 45.5,120 3,140 6,141 3,143 2,154 1,163 1,167 1,168 12,169 1,172 3,175 1,177 1,180 14,181 1,186 3,191 1,194 13,195 1,198 2,203 1,206 9,207 2,210 4,215 2,218 7,219 2,222 4,227 2,229 5,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 2,264 1,267 1,268 1,270 368,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.456,277 12.488,278 7.563,279 12.208,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 6.99,286 13.461,287 3.674,288 9.516,289 3.612,290 1.933,291 1.185,292 0.655,293 0.424,294 0.424,295 3.62,299 1,300 1,301 343,302 2.739,306 125.9,313 1.778,314 14.623,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 38.5,326 166,327 4.089,328 3.6,329 5.617,330 3.727,331 2.728,332 3.677,333 2.341,334 7.79,335 2.724,336 3.862,337 2.988,338 5.34,339 3.485,340 2.49,341 3.41,342 0.68,343 6.973,344 2.476,345 3.562,346 2.671,347 4.964,348 3.209,349 2.209,350 2.794,352 5.897,353 2.192,354 3.384,355 2.243,356 4.6,357 2.998,358 2,359 2.623,361 5.018,362 1.986,363 2.865,364 1.509,365 3.592,366 2.386,367 1.42,368 2.022,370 3.041,371 1.37,372 2.5,373 1.117,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.5,382 1,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.954,390 1.875,391 1,392 3.042,393 1.663,394 0.659,395 0.755,397 1.467,398 0.656,399 1.332,400 0.561,401 2.708,402 1.056,403 0.061,404 0.074,406 0.151,407 0.061,408 0.854,409 0.273,410 2,411 0.482,412 -0.508,413 -0.633,415 -1.159,416 -0.498,417 0.5,418 -0.162,419 1.936,420 0.042,421 -1,422 -1.163,424 -2,425 -0.924,426 0.5,427 -0.645,428 1.585,430 -1,431 -1.424,433 -2.347,434 -0.973,435 0.487,436 -1,437 1.555,438 -0.024,439 -1,440 -1.5,442 -2.557,443 -1,444 0.282,445 -1,446 1.095,447 -0.063,448 -1,449 -1.5,451 -3,452 -1.025,453 -0.06,454 -1.111,455 1,456 -0.313,457 -1.296,458 -1.746,460 -3.287,461 -1.3,462 8.567,463 0.476,464 0.349,465 0.019,466 24,467 1.333,468 13.5,469 0.75,470 10.5,471 0.583,472 11.018,473 0.612,474 19.033,475 0.577,476 14.669,477 0.815,478 4.926,479 0.274,480 3.812,481 0.212,482 0.078,484 0.233,487 0.747,488 1.077,489 0.821,490 0.986,491 0.706,492 0.928,493 0.445,494 1.091,495 0.928,496 1.087,497 0.406,498 1.075,499 0.894,500 1.109,501 1.158,502 1.142,503 0.956,504 1.186,505 0.789,506 0.905,507 1.019,508 0.959,509 0.779,510 1.011,511 0.491,512 1.004,513 0.744,514 0.991,515 0.46,516 0.921,517 1.272,518 1.064,519 1.08,520 1.036,521 1.217,522 1.029,523 1.186,524 0.891,525 1.069,526 0.907,527 1.188,528 0.959,529 0.476,530 1.08,531 0.827,532 1.084,533 0.541,534 1.023,535 3.5,536 0.054,537 1.111,538 0.438,539 0.693,540 0.271,541 0.241,542 0.198,543 0.037,544 0.066,545 3019,546 9136,547 2.026,548 45.5,549 4,550 6,552 2,553 1,554 2,558 1.578,559 1.929,560 3.207,561 -0.334,563 1,564 1,565 1,567 47.258,568 1.432,569 3.112,570 3.859,571 4.39,572 4.62,573 4.62,574 2.78,575 3.461,576 4.136,577 3.36,578 514.111,579 6.983,580 5055.35,581 1,582 1,584 1,585 166.465,586 1.224,587 4.116,588 0.184,589 0.008,590 0.046,591 0.021,592 0.041,593 0.015,594 0.016,595 0.02,596 0.005,597 0.009,598 0.365,599 0.83,600 1,601 1.279,602 78.563,603 -0.061,604 -0.003,605 0.005,606 0.047,607 -0.061,608 0.035,609 0.2,610 -0.044,611 -0.066,612 -0.08,613 0.21,614 -0.104,615 -0.122,616 -0.134,617 -0.243,618 -0.148,619 -0.157,620 -0.206,621 -0.064,622 0.043,623 -0.056,624 0.016,625 -0.069,626 -0.012,627 0.108,628 -0.068,629 0.205,630 0.002,631 0.14,632 0.099,633 -0.126,634 -0.093,635 -0.088,636 -0.085,637 -0.071,638 -0.081,639 -0.135,640 0.054,641 -0.059,642 0.044,643 -0.141,644 0.012,645 0.106,646 -0.157,647 0.127,648 -0.097,649 0.038,650 -0.001,651 2.422,652 3.474,653 0.667,654 15.333,655 0.998,656 1.116,657 2.274,658 5.172,659 0.674,660 2.996,661 3.219,662 3.332,663 3.497,664 3.714,665 3.555,666 3.611,667 3.714,668 3.611,669 3.497,670 5.559,671 0.641,672 241.31,673 2.996,674 4.466,675 5.242,676 6.057,677 6.853,678 7.672,679 8.478,680 9.298,681 10.109,682 10.931,683 3,693 1,699 8,700 1,704 3,706 12,724 33,726 13,727 1,728 19,730 34,731 15,733 11,734 2,735 4,739 2,740 2,751 3,753 12,754 3,756 1,761 1,765 1,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,830 1,832 2,840 18,845 1,846 3,862 6.1,864 1,865 1,869 9.333,870 5.733,871 4.083,872 1.919,874 2.266,875 1.377,876 0.932,877 4.214,878 8.275,879 3.296,880 3.807,881 4.22,882 4.705,883 5.247,884 5.144,885 5.448,886 5.864,887 6.079,888 6.241,889 1,890 21,891 6.613,893 2.689,894 7.898,895 12.568,897 9.908,899 2.398,900 43.167,901 0.001,904 164.795,905 93.023,906 16.786,908 67.828,911 93.023,912 232.624,913 16.786,915 7.604,916 56.857,917 109.066,918 27.652,920 141.253,922 164.795,923 109.808,924 67.828,927 164.795,928 67.828,931 25.698,932 67.324,933 16.786,935 164.795,936 84.614,937 93.023,940 164.795,941 18.07,942 74.952,944 84.614,945 164.795,946 84.614,947 93.023,949 0.558,950 0.288,951 0.146,952 0.089,953 10,954 4,955 0.147,956 5,958 1,959 3.189,960 114.613,962 12,963 71.059,968 12.469,969 6.084,970 4.084,972 84.614,973 15.677,974 4.082,978 3.449,980 42.683,981 342.432,982 26,987 10.474,991 -0.755,994 32.942,995 36.824,996 0.284,997 0.617,998 0.765,999 0.87,1000 0.916,1001 0.916,1002 4.454,1003 0.659,1004 5.165,1005 2.136,1006 3.892,1007 4.489,1008 2.35,1009 5.808,1010 3.874,1011 5.615,1012 0.061,1013 6.613,1014 1.467,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.209,1020 6.865,1021 -0.508,1022 8.15,1023 0.151,1024 5.323,1025 6.536,1026 3.64,1027 9.313,1028 5.297,1029 8.142,1030 -1,1031 9.736,1032 -1.159,1033 5.398,1034 6.741,1035 4.112,1036 10.614,1037 5.385,1038 9.444,1039 -1,1040 11.354,1041 -2,1042 6.974,1043 8.809,1044 5.203,1045 13.069,1046 6.943,1047 10.762,1048 -1,1049 12.992,1050 -2.347,1051 7.427,1052 9.376,1053 5.889,1054 14.723,1055 7.408,1056 12.093,1057 -1,1058 14.644,1059 -2.557,1060 8.738,1061 11.191,1062 6.849,1063 16.954,1064 8.703,1065 2.728,1066 -1.296,1067 16.307,1068 -3,1069 9.409,1070 11.982,1071 7.625,1072 18.789,1073 9.384,1074 2.49,1075 7.79,1076 17.978,1077 -3.287,1078 10.573,1079 13.635,1080 8.526,1081 20.915,1082 10.535,1083 2.209,1084 6.973,1085 19.655,1086 3.677,1087 11.374,1088 14.577,1089 9.342,1090 22.847,1091 11.344,1092 2,1093 5.897,1094 21.337,1095 3.41,1096 12.457,1097 16.119,1098 10.216,1099 24.924,1100 12.417,1101 1.42,1102 5.018,1103 23.023,1104 2.794,1105 13.336,1106 17.167,1107 11.051,1108 26.906,1109 13.302,1110 1,1111 3.041,1112 24.712,1113 2.623,1114 14.375,1115 18.632,1116 11.912,1117 28.962,1118 14.333,1119 1,1120 2.275,1121 26.404,1122 2.022,1123 15.301,1124 19.754,1125 12.755,1126 30.972,1127 15.263,1128 3058,1129 5380,1130 12.712,1131 22.245,1132 27.379,1133 27.711,1134 27.575,1135 27.149,1136 27.134,1137 36.71,1138 6.042,1139 69.494,1140 26.836,1141 4.901,1142 5.6,1143 5.419,1144 4.762,1145 4.728,1146 6.677,1147 3.925,1148 13.304,1149 4.724,1150 7.587,1151 1.441,1152 1.458,1153 1.451,1154 1.429,1155 1.428,1156 1.932,1157 0.318,1158 3.658,1159 1.412,1160 3.989,1161 4.02,1162 3.921,1163 3.929,1164 7.474,1165 3.923,1166 3.818,1167 3.858,1168 3.749,1169 3.726,1170 6.351,1171 3.726,1172 3.571,1173 3.598,1174 3.482,1175 3.394,1176 4.905,1177 3.402,1178 3.18,1179 3.222,1180 3.069,1181 3.022,1182 4.705,1183 3.026,1184 2.904,1185 2.953,1186 2.746,1187 2.735,1188 3.939,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.699,1194 3.801,1195 2.707,1196 2.756,1197 2.844,1198 2.616,1199 2.528,1200 3.674,1201 2.541,1202 2.552,1203 2.626,1204 2.369,1205 2.333,1206 3.655,1207 2.338,1208 0.215,1209 0.189,1210 0.296,1211 0.196,1212 0.144,1213 4.089,1214 0.194,1215 3.6,1216 0.123,1217 5.617,1218 0.41,1219 3.727,1220 0.143,1221 2.728,1222 3.677,1223 2.341,1224 7.79,1225 2.724,1226 1.972,1227 1.945,1228 2.091,1229 2.054,1230 1.282,1231 2.067,1232 1.806,1233 1.769,1234 1.938,1235 1.926,1236 1.107,1237 1.933,1238 1.517,1239 1.479,1240 1.728,1241 1.721,1242 0.866,1243 1.716,1244 1.15,1245 1.105,1246 1.396,1247 1.354,1248 0.548,1249 1.362,1250 0.886,1251 0.821,1252 1.181,1253 1.138,1254 0.218,1255 1.13,1256 0.841,1257 0.801,1258 1.102,1259 1.062,1260 0.195,1261 1.107,1262 0.717,1263 0.634,1264 1.019,1265 0.982,1266 0.043,1267 1.002,1268 0.534,1269 0.464,1270 0.884,1271 0.796,1273 0.83,1274 3.664,1276 4.905,1278 6.33,1280 7.832,1282 9.372,1289 8.617,1290 1.623,1300 21.139,1301 47.258,1302 102.691,1303 127.346,1304 144.855,1305 152.465,1306 152.465,1307 27.528,1308 6.009,1309 50.19,1310 50.19,1311 12,1312 11.513,1313 3.807,1314 3,1315 31.29,1316 60,1317 52,1318 0.261,1319 134.164,1320 231.64,1321 319.12,1322 2712,1324 12.795,1325 0.711,1326 0.558,1327 12.795,1328 10.043,1329 8.737,1330 0.46,1331 0.312,1332 5.877,1333 8.514,1334 5.732,1335 4.774,1336 8.737,1337 5.924,1338 7.598,1339 0.317,1340 0.177,1341 7.598,1342 4.248,1343 5.51,1344 0.204,1345 0.103,1346 5.51,1347 2.782,1348 4.219,1349 0.132,1350 0.057,1351 4.219,1352 1.813,1353 3.591,1354 0.09,1355 0.032,1356 3.591,1357 1.262,1358 0.416,1359 54.078,1360 0.28,1361 18.661,1362 0.691,1363 86,1364 257.53,1365 91.816,1366 252.646,1367 331.11,1368 234,1369 94,1370 226.779,1371 98.157,1372 233.097,1373 327.46,1374 218,1375 6.678} {0 CHEMBL542303,1 1.578,2 8.765,3 1.579,4 2.493,5 65.599,6 7.871,7 0.611,8 3.468,9 3.573,10 3.07,11 3.015,12 4.711,13 3.011,14 3.906,15 4.056,16 3.344,17 3.347,18 5.234,19 3.315,20 4.074,21 4.267,22 3.201,23 3.397,24 5.206,25 3.304,26 4.096,27 4.326,28 3.025,29 3.248,30 5.24,31 3.142,32 3.887,33 4.129,34 2.797,35 3.029,36 4.925,37 2.917,38 3.674,39 3.926,40 2.749,41 2.893,42 4.668,43 2.803,44 3.569,45 3.769,46 2.754,47 2.85,48 4.749,49 2.788,50 3.538,51 3.755,52 2.556,53 2.711,54 4.643,55 2.623,56 0.043,57 0.407,58 5.206,59 2.479,60 7.833,61 2.994,62 0.212,63 0.627,64 9.039,65 3.705,66 29.455,67 4.7,68 0.114,69 0.675,70 11.759,71 5.086,72 17.756,73 6.647,74 0.204,75 0.644,76 13.615,77 5.036,78 33.438,79 6.647,80 0.175,81 0.521,82 11.322,83 4.097,84 31.406,85 5.522,86 0.1,87 0.449,88 8.852,89 3.195,90 13.514,91 4.546,92 0.106,93 0.404,94 7.375,95 2.775,96 15.487,97 3.613,98 0.107,99 0.382,100 7.412,101 2.66,102 19.598,103 3.533,104 6,105 23,106 0.302,107 0.662,108 0.81,109 0.837,110 0.863,111 0.863,112 2.905,113 0.869,114 -3.26,115 -3.25,116 -3.11,118 44.8,124 1,133 2,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 2,186 3,191 2,194 7,195 2,198 4,203 2,206 3,207 1,210 4,215 1,218 1,219 1,222 4,227 1,230 1,234 4,239 1,247 2,248 1,258 1,259 1,262 1,270 319,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.811,277 9.446,278 7.026,279 11.673,280 8.884,281 8.884,282 8.884,283 8.884,284 8.884,285 6.45,286 11.82,287 3.337,288 9.176,289 3.28,290 1.398,291 0.621,292 0.483,293 0.345,294 0.345,295 3.561,299 1,300 1,301 310,302 2.739,305 53.19,306 59.385,313 1.543,314 14.689,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37,326 149,327 4.174,328 3.576,329 5.929,330 3.786,331 2.785,332 3.775,333 1.437,334 8.227,335 2.78,336 3.931,337 2.719,338 5.364,339 3.473,340 2.548,341 3.486,342 0.522,343 7.02,344 2.394,345 3.743,346 2.522,347 5.285,348 3.345,349 2.354,350 3.113,352 6.761,353 2.287,354 2.967,355 1.916,356 3.814,357 2.441,358 1.465,359 2.027,361 3.161,362 1.423,363 2.71,364 1.615,365 3.579,366 2.233,367 1.251,368 1.732,370 2.839,371 1.213,372 2.5,373 1.028,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.464,382 1,383 3.16,384 1.851,385 0.888,386 1.324,388 1.969,389 0.851,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.245,400 0.469,401 2.508,402 0.948,403 -0.033,404 -0.041,406 -0.078,407 -0.032,408 0.863,409 0.123,410 2,411 0.363,412 -0.621,413 -0.851,415 -1.418,416 -0.601,417 0.5,418 -0.517,419 1.891,421 -1,422 -1.321,424 -2,425 -0.968,426 0.432,427 -1,428 1.58,429 -0.009,430 -1,431 -1.5,433 -2.829,434 -1,435 0.038,436 -1.01,437 1.023,438 -0.285,439 -1.237,440 -1.53,442 -3,443 -1.187,444 -0.118,445 -1.508,446 1,447 -0.644,448 -1.618,449 -2.124,451 -4.249,452 -1.474,453 -0.297,454 -1.618,455 1,456 -0.705,457 -1.621,458 -2.427,460 -4.372,461 -1.582,462 7.967,463 0.469,464 0.332,465 0.02,466 23.75,467 1.397,468 13,469 0.765,470 10.75,471 0.632,472 8.744,473 0.514,474 17.833,475 0.615,476 14.849,477 0.873,478 5.106,479 0.3,480 3.148,481 0.185,482 0.084,484 0.238,487 0.812,488 1.299,489 0.754,490 1.025,491 0.73,492 0.906,493 0.623,494 0.94,495 0.932,496 0.935,497 0.422,498 0.962,499 0.692,500 1.103,501 1.046,502 1.227,503 0.664,504 1.21,505 1.018,506 0.968,507 1.074,508 1.063,509 1.037,510 1.081,511 0.959,512 0.963,513 1,514 0.973,515 1.035,516 1,517 0.565,518 0.936,519 0.766,520 0.883,521 0.383,522 0.854,523 0.987,524 1.066,525 0.995,526 1.005,527 0.889,528 0.999,529 1.027,530 1.202,531 1.128,532 1.164,533 1.063,534 1.164,535 3,536 0.046,537 1.556,538 0.597,539 0.387,540 0.406,541 0.168,542 0.078,543 0.079,544 0.087,545 2673,546 8797,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.558,559 1.925,560 3.137,561 -0.256,563 1,564 1,565 1,567 45.756,568 1.578,569 3.46,570 4.237,571 4.375,572 4.513,573 4.513,574 2.542,575 3.499,576 4.059,577 3.301,578 448.873,579 6.81,580 4269.98,582 1,584 1,585 140.881,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.031,592 0.026,593 0.034,594 0.014,595 0.007,596 0.009,597 0.014,598 0.377,599 0.67,600 1,601 0.844,602 72.786,603 -0.085,604 -0.198,605 0.014,606 -0.036,607 -0.102,608 -0.005,609 0.141,610 0.182,611 -0.104,612 0.013,613 0.205,614 -0.065,615 -0.032,616 -0.144,617 -0.158,618 -0.222,619 0.014,620 -0.213,621 -0.097,622 -0.068,623 -0.077,624 -0.079,625 -0.07,626 -0.074,627 -0.077,628 -0.075,629 0.014,630 0.015,631 -0.12,632 0.025,633 0.045,634 0.022,635 0.214,636 0.092,637 0.127,638 0.175,639 -0.118,640 -0.084,641 -0.057,642 -0.037,643 -0.05,644 -0.035,645 -0.118,646 -0.247,647 -0.154,648 -0.213,649 -0.171,650 -0.195,651 2.57,652 3.653,653 0.647,654 13.253,655 1.01,656 1.12,657 2.027,658 4.107,659 0.68,660 2.944,661 3.178,662 3.332,663 3.434,664 3.434,665 3.434,666 3.367,667 3.219,668 3.296,669 3.367,670 5.414,671 0.659,672 228.27,673 2.944,674 4.419,675 5.209,676 6.023,677 6.828,678 7.643,679 8.451,680 9.268,681 10.077,682 10.894,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,724 29,726 13,727 1,728 18,730 30,731 13,733 9,734 2,735 4,736 3,739 2,740 2,753 12,754 1,756 2,761 1,763 2,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,822 2,830 1,832 2,840 17,845 1,846 1,862 6.9,864 1,865 1,869 8.833,870 5.017,871 3.861,872 1.549,874 2.529,875 1.434,876 0.935,877 3.604,878 8.352,879 3.277,880 3.801,881 4.299,882 4.77,883 5.038,884 5.241,885 5.531,886 5.511,887 5.873,888 6.306,889 0.833,890 19,891 6.215,893 2.534,894 8,895 11.575,897 8.919,899 2.5,900 42.5,901 0.001,904 129.482,905 92.958,906 18.685,908 67.828,911 92.958,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 17.318,919 11.771,920 94.169,922 129.482,923 111.642,924 67.828,927 129.482,928 67.828,931 21.671,932 54.233,933 35.738,935 129.482,936 86.513,937 92.958,940 129.482,941 9.387,942 85.47,944 84.614,945 129.482,946 86.513,947 92.958,949 0.565,950 0.313,951 0.15,952 0.066,953 10,954 4,955 0.133,956 4,958 1,959 3.107,960 105.193,962 11,963 65.487,968 11.459,969 5.347,970 3.212,972 84.614,973 12.13,974 3.943,978 1.284,979 1.947,980 42.683,981 308.953,982 25.5,987 10.653,989 3.948,991 -0.904,994 29.276,995 32.491,996 0.325,997 0.712,998 0.872,999 0.901,1000 0.929,1001 0.929,1002 4.44,1003 0.618,1004 5.142,1005 1.969,1006 3.85,1007 4.483,1008 1.736,1009 5.814,1010 3.794,1011 5.617,1012 -0.033,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.141,1020 6.878,1021 -0.621,1022 8.193,1023 -0.078,1024 5.313,1025 6.572,1026 2.269,1027 9.429,1028 5.21,1029 8.175,1030 -1,1031 9.824,1032 -1.418,1033 5.525,1034 6.937,1036 10.897,1037 5.402,1038 9.501,1039 -1,1040 11.492,1041 -2,1042 7.027,1043 8.899,1044 2.925,1045 13.312,1046 6.89,1047 10.846,1048 -1.237,1049 13.183,1050 -2.829,1051 7.623,1052 9.673,1054 15.109,1055 7.471,1056 12.206,1057 -1.618,1058 14.891,1059 -3,1060 8.864,1061 11.341,1062 3.619,1063 17.321,1064 8.704,1065 2.785,1066 -1.621,1067 16.609,1068 -4.249,1069 9.65,1070 12.333,1072 19.267,1073 9.481,1074 2.548,1075 8.227,1076 18.335,1077 -4.372,1078 10.768,1079 13.847,1080 4.33,1081 21.399,1082 10.594,1083 2.354,1084 7.02,1085 20.067,1086 3.775,1087 11.653,1088 14.963,1090 23.417,1091 11.476,1092 1.465,1093 6.761,1094 21.804,1095 3.486,1096 12.711,1097 16.394,1098 5.047,1099 25.52,1100 12.533,1101 1.251,1102 3.161,1103 23.545,1104 3.113,1105 13.649,1106 17.584,1108 27.575,1109 13.472,1110 1,1111 2.839,1112 25.29,1113 2.027,1114 14.679,1115 18.967,1116 5.769,1117 29.669,1118 14.503,1119 0.888,1120 2.275,1121 27.037,1122 1.732,1123 15.648,1124 20.203,1126 31.743,1127 15.475,1128 2684,1129 4948,1130 12.019,1131 19.727,1132 26.549,1133 26.583,1134 26.202,1135 25.81,1136 25.821,1137 35.768,1138 3.916,1139 67.249,1140 25.051,1141 4.891,1142 5.576,1143 5.587,1144 4.815,1145 4.785,1146 6.775,1147 2.873,1148 13.753,1149 4.78,1150 7.125,1151 1.475,1152 1.477,1153 1.456,1154 1.434,1155 1.434,1156 1.987,1157 0.218,1158 3.736,1159 1.392,1160 3.98,1161 4.026,1162 3.921,1163 3.9,1164 7.475,1165 3.899,1166 3.882,1167 3.925,1168 3.827,1169 3.697,1170 6.351,1171 3.724,1172 3.462,1173 3.494,1174 3.389,1175 3.334,1176 4.96,1177 3.338,1178 3.186,1179 3.196,1180 3.094,1181 2.935,1182 4.726,1183 2.971,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.208,1189 2.715,1190 2.729,1191 2.803,1192 2.572,1193 2.48,1194 3.674,1195 2.496,1196 2.475,1197 2.571,1198 2.27,1199 2.278,1200 3.577,1201 2.268,1202 2.346,1203 2.43,1204 2.177,1205 2.089,1206 3.34,1207 2.099,1208 0.232,1209 0.199,1210 0.329,1211 0.21,1212 0.155,1213 4.174,1214 0.21,1215 3.576,1216 0.08,1217 5.929,1218 0.457,1219 3.786,1220 0.154,1221 2.785,1222 3.775,1223 1.437,1224 8.227,1225 2.78,1226 1.936,1227 1.915,1228 2.041,1229 2.018,1230 1.148,1231 2.026,1232 1.645,1233 1.589,1234 1.813,1235 1.848,1236 0.973,1237 1.839,1238 1.335,1239 1.288,1240 1.513,1241 1.53,1242 0.532,1243 1.525,1244 1.248,1245 1.193,1246 1.399,1247 1.495,1248 0.367,1249 1.461,1250 0.981,1251 0.959,1252 1.181,1253 1.287,1254 0.218,1255 1.25,1256 0.886,1257 0.821,1258 1.155,1259 1.062,1260 0.168,1261 1.107,1262 0.56,1263 0.492,1264 0.938,1265 0.858,1267 0.896,1268 0.272,1269 0.177,1270 0.691,1271 0.597,1273 0.638,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.78,1281 6.26,1282 9.318,1289 8.748,1290 0.751,1300 19.106,1301 45.756,1302 100.352,1303 122.881,1304 126.881,1305 130.881,1306 130.881,1307 23.039,1308 5.823,1309 55.12,1310 55.12,1311 11,1312 11.479,1313 3.807,1314 3.087,1315 28.801,1316 55,1317 41,1318 0.257,1319 121.773,1320 208.04,1321 288.887,1322 2157,1324 12.088,1325 0.711,1326 0.538,1327 12.088,1328 9.153,1329 8.254,1330 0.459,1331 0.29,1332 5.137,1333 7.935,1334 5.033,1335 4.21,1336 8.254,1337 5.212,1338 7.106,1339 0.309,1340 0.156,1341 7.106,1342 3.589,1343 5.534,1344 0.205,1345 0.087,1346 5.534,1347 2.343,1348 4.138,1349 0.138,1350 0.048,1351 4.138,1352 1.442,1353 2.64,1354 0.088,1355 0.027,1356 2.64,1357 0.817,1358 0.412,1359 51.791,1360 0.288,1361 17.778,1362 0.67,1363 82,1364 271.175,1365 89.953,1366 263.754,1367 347.8,1368 244,1369 91,1370 243.596,1371 98.347,1372 249.119,1373 353.52,1374 232,1375 7.357} {0 CHEMBL542304,1 1.57,2 8.933,3 1.441,4 2.075,5 59.984,6 7.113,7 0.333,8 3.432,9 3.556,10 2.929,11 2.899,12 4.618,13 2.881,14 3.897,15 4.086,16 3.121,17 3.188,18 5.171,19 3.124,20 4.06,21 4.312,22 2.833,23 3.201,24 5.02,25 3.05,26 3.999,27 4.276,28 2.74,29 3.094,30 4.883,31 2.939,32 3.885,33 4.15,34 2.658,35 2.948,36 4.849,37 2.818,38 3.764,39 4.02,40 2.571,41 2.826,42 4.808,43 2.709,44 3.633,45 3.894,46 2.465,47 2.708,48 4.66,49 2.588,50 3.471,51 3.733,52 2.344,53 2.512,54 4.507,55 2.414,56 0.033,57 0.403,58 6.174,59 2.464,60 8.198,61 3.4,62 0.212,63 0.585,64 10.723,65 3.666,66 33.121,67 5.333,68 0.159,69 0.592,70 13.356,71 4.715,72 28.794,73 6.887,74 0.153,75 0.541,76 12.811,77 4.335,78 27.854,79 6.496,80 0.18,81 0.468,82 11.586,83 3.634,84 31.648,85 5.385,86 0.167,87 0.414,88 10.231,89 3.118,90 28.548,91 4.604,92 0.121,93 0.37,94 8.847,95 2.734,96 20.95,97 4.123,98 0.116,99 0.308,100 7.594,101 2.164,102 20.108,103 3.311,104 13,105 17,106 0.307,107 0.668,108 0.838,109 0.883,110 0.91,111 0.91,112 2.787,113 0.958,114 -2.6,115 -2.62,116 -2.55,118 37.9,120 2,124 1,133 4,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 8.817,277 11.161,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.623,286 11.93,287 3.241,288 7.742,289 3.288,290 1.445,291 0.578,292 0.345,293 0.207,294 0.207,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 12.898,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 134,327 3.928,328 3.474,329 5.352,330 3.458,331 2.542,332 3.485,333 1.437,334 6.997,335 2.329,336 3.666,337 2.71,338 4.659,339 3.241,340 2.235,341 2.912,342 0.522,343 5.184,344 2.222,345 3.176,346 2.172,347 3.822,348 2.779,349 1.784,350 2.26,352 3.61,353 1.772,354 2.775,355 1.748,356 3.509,357 2.366,358 1.395,359 1.746,361 2.888,362 1.35,363 2.577,364 1.345,365 3.162,366 2.031,367 1.072,368 1.517,370 2.232,371 1.022,372 2.118,373 0.861,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.906,382 0.618,383 2.652,384 1.511,385 0.526,386 0.661,388 1.09,389 0.515,390 1.148,391 0.566,392 2.131,393 0.85,394 -0.136,395 -0.166,397 -0.292,398 -0.133,399 0.588,400 0.109,401 1.605,402 0.224,403 -0.763,404 -0.899,406 -1.699,407 -0.73,408 0.385,409 -0.503,410 1.059,411 -0.015,412 -1,413 -1.311,415 -2,416 -0.972,417 -0.019,418 -0.976,419 1,420 -0.294,421 -1.253,422 -1.491,424 -2.746,425 -1.221,426 -0.118,427 -1.376,428 1,429 -0.61,430 -1.583,431 -2.191,433 -3.358,434 -1.472,435 -0.267,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.413,442 -4.156,443 -1.546,444 -0.599,445 -1.642,446 0.37,447 -0.865,448 -1.838,449 -2.427,450 -0.522,451 -4.372,452 -1.773,453 -0.764,454 -1.786,455 0.133,456 -1.024,457 -1.982,458 -2.612,459 -1.437,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 17.25,467 1.15,468 8,469 0.533,470 9.25,471 0.617,472 8.931,473 0.595,474 17.033,475 0.587,476 10.249,477 0.683,478 3.78,479 0.252,480 3.508,481 0.234,482 0.096,484 0.129,487 0.828,488 1.548,489 0.86,490 1.246,491 0.727,492 1.089,493 0.619,494 1.149,495 1.032,496 1.153,497 0.388,498 1.15,499 0.732,500 1.042,501 1.043,502 1.132,503 0.729,504 1.148,505 0.636,506 0.935,507 0.897,508 0.993,509 0.628,510 0.994,511 0.991,512 0.883,513 0.984,514 0.91,515 1.01,516 0.942,517 1.126,518 0.923,519 1.047,520 0.935,521 1.1,522 0.971,523 0.913,524 0.998,525 0.98,526 1,527 0.842,528 0.997,529 1.07,530 0.958,531 0.96,532 0.909,533 1.052,534 0.904,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6562,547 1.925,548 48.3,549 4,550 6,551 1,552 2,553 1,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 45.525,568 1.57,569 3.413,570 4.28,571 4.513,572 4.651,573 4.651,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 140.881,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.075,604 -0.306,605 0.005,606 -0.11,607 -0.068,608 -0.054,609 0.162,610 0.011,611 -0.127,612 -0.136,613 0.258,614 -0.173,615 -0.054,616 -0.094,617 -0.128,618 -0.122,619 -0.038,620 -0.137,621 0.002,622 -0.025,623 0.032,624 -0.01,625 -0.012,626 0.015,627 -0.104,628 0.018,629 -0.018,630 0.046,631 -0.112,632 0.033,633 -0.148,634 -0.009,635 -0.071,636 0.012,637 -0.106,638 -0.011,639 -0.076,640 -0.068,641 -0.023,642 -0.05,643 -0.028,644 -0.027,645 -0.107,646 -0.037,647 0.025,648 0.007,649 -0.118,650 0.041,651 2.558,652 3.128,653 0.333,654 11.271,655 1.006,656 1.135,657 1.368,658 1.872,659 0.638,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.608,672 206.27,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.9,691 1,693 1,699 3,700 1,705 1,706 5,724 29,726 8,728 15,730 29,731 11,733 3,736 3,739 1,740 1,751 2,753 8,754 3,756 3,761 1,763 4,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 4,830 1,832 1,840 15,845 1,846 3,862 6.9,864 1,865 1,869 8.167,870 4.85,871 3.583,872 1.625,874 1.715,875 1.334,876 0.879,877 5.302,878 6.857,879 3.068,880 3.442,881 3.747,882 4.087,883 3.889,884 4.019,885 4.245,886 4.273,887 4.341,888 4.627,889 0.833,890 12,891 5.474,892 -0.001,893 2.093,894 8.044,895 10.245,897 7.449,898 -0.001,899 2.544,900 38.167,901 0.002,904 153.024,905 72.703,906 18.685,908 67.828,911 72.703,912 220.853,913 18.685,915 7.175,916 46.952,917 117.684,918 10.947,919 11.771,920 117.711,922 153.024,923 91.388,924 67.828,927 153.024,928 67.828,931 26.74,932 9.957,933 54.691,935 153.024,936 86.513,937 72.703,940 153.024,941 8.085,942 66.518,944 84.614,945 153.024,946 86.513,947 72.703,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.207,956 6,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.568,969 6.875,970 5.731,972 84.614,973 5.396,974 3.923,979 1.962,980 42.683,981 312.24,982 20.5,987 10.128,989 6.899,991 -0.891,994 29.16,995 32.907,996 0.323,997 0.702,998 0.881,999 0.929,1000 0.957,1001 0.957,1002 4.178,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.119,1008 1.736,1009 5.252,1010 3.479,1011 5.293,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1018 5.46,1019 2.41,1020 6.493,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 6.013,1026 2.269,1027 8.47,1028 4.674,1029 7.727,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.129,1036 9.649,1037 4.411,1038 8.989,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.139,1044 2.925,1045 12.016,1046 6.068,1047 10.271,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.752,1054 13.616,1055 6.224,1056 11.568,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.399,1062 3.619,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.291,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.746,1080 4.33,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.485,1087 10.412,1088 13.795,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.912,1096 11.465,1097 15.15,1098 5.047,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 2.26,1105 12.261,1106 16.286,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.746,1114 13.26,1115 17.588,1116 5.769,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.517,1123 14.107,1124 18.773,1126 29.19,1127 13.036,1128 2036,1129 3832,1130 9.822,1131 18.489,1132 21.157,1133 20.905,1134 20.581,1135 20.346,1136 20.347,1137 27.02,1138 3.916,1139 46.746,1140 19.576,1141 4.691,1142 5.259,1143 5.22,1144 4.482,1145 4.524,1146 6.097,1147 2.873,1148 11.747,1149 4.268,1150 6.767,1151 1.41,1152 1.394,1153 1.372,1154 1.356,1155 1.356,1156 1.801,1157 0.261,1158 3.116,1159 1.305,1160 3.938,1161 4.005,1162 3.872,1163 3.754,1164 7.476,1165 3.77,1166 3.743,1167 3.787,1168 3.644,1169 3.608,1170 6.351,1171 3.612,1172 3.508,1173 3.54,1174 3.413,1175 3.362,1176 4.958,1177 3.366,1178 3.177,1179 3.224,1180 3.035,1181 2.947,1182 4.412,1183 2.959,1184 2.81,1185 2.878,1186 2.628,1187 2.535,1188 4.178,1189 2.553,1190 2.511,1191 2.605,1192 2.288,1193 2.299,1194 3.609,1195 2.287,1196 2.434,1197 2.541,1198 2.219,1199 2.156,1200 3.345,1201 2.157,1202 2.134,1203 2.275,1204 1.83,1205 1.78,1206 3.221,1207 1.766,1208 0.262,1209 0.232,1210 0.357,1211 0.231,1212 0.169,1213 3.928,1214 0.232,1215 3.474,1216 0.096,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.485,1223 1.437,1224 6.997,1225 2.329,1226 1.789,1227 1.741,1228 1.984,1229 1.942,1230 1.207,1231 1.956,1232 1.613,1233 1.563,1234 1.794,1235 1.811,1236 0.971,1237 1.807,1238 1.372,1239 1.324,1240 1.56,1241 1.585,1242 0.608,1243 1.573,1244 1.281,1245 1.213,1246 1.464,1247 1.524,1248 0.446,1249 1.51,1250 1.019,1251 0.968,1252 1.272,1253 1.295,1254 0.272,1255 1.288,1256 0.657,1257 0.593,1258 1.016,1259 0.996,1260 0.098,1261 1.011,1262 0.378,1263 0.27,1264 0.818,1265 0.732,1267 0.782,1268 0.103,1270 0.694,1271 0.513,1273 0.585,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.326,1290 2.424,1300 17.633,1301 45.525,1302 98.965,1303 124.127,1304 130.881,1305 134.881,1306 134.881,1307 22.73,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3.17,1314 2.7,1315 31.761,1316 51,1317 38,1318 0.299,1319 115.837,1320 201.98,1321 274.402,1322 894,1324 10.933,1325 0.729,1326 0.561,1327 10.933,1328 8.413,1329 7.288,1330 0.486,1331 0.319,1332 4.716,1333 6.962,1334 4.627,1335 3.898,1336 7.288,1337 4.79,1338 5.889,1339 0.346,1340 0.179,1341 5.889,1342 3.049,1343 3.869,1344 0.228,1345 0.106,1346 3.869,1347 1.803,1348 2.815,1349 0.156,1350 0.06,1351 2.815,1352 1.085,1353 1.559,1354 0.111,1355 0.039,1356 1.559,1357 0.553,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 229.175,1365 71.953,1366 219.279,1367 279.94,1368 202,1369 66,1370 186.596,1371 72.682,1372 188.766,1373 262.05,1374 175,1375 6.745} {0 CHEMBL542364,1 1.432,2 9.158,3 2.161,4 4.669,5 76.079,6 6.485,7 0.5,8 3.747,9 3.89,10 3.196,11 3.237,12 4.751,13 3.191,14 4.307,15 4.531,16 3.481,17 3.608,18 5.208,19 3.528,20 4.516,21 4.759,22 3.444,23 3.731,24 5.422,25 3.604,26 4.608,27 4.878,28 3.272,29 3.693,30 5.482,31 3.529,32 4.494,33 4.795,34 3.012,35 3.545,36 5.204,37 3.341,38 4.355,39 4.66,40 2.915,41 3.4,42 5.068,43 3.206,44 4.217,45 4.511,46 2.837,47 3.28,48 4.98,49 3.1,50 4.091,51 4.387,52 2.835,53 3.16,54 4.91,55 2.989,56 0.029,57 0.586,58 9.403,59 3.515,60 6.438,61 5.288,62 0.214,63 0.905,64 17.1,65 5.593,66 13.828,67 8.675,68 0.172,69 1.011,70 20.981,71 7.413,72 24.824,73 11.071,74 0.272,75 1.006,76 23.371,77 7.749,78 40.187,79 11.626,80 0.193,81 0.885,82 20.558,83 6.986,84 24.013,85 10.755,86 0.17,87 0.762,88 17.889,89 6.043,90 21.084,91 9.3,92 0.155,93 0.674,94 15.592,95 5.156,96 19.684,97 7.963,98 0.173,99 0.595,100 13.697,101 4.736,102 17.147,103 7.203,104 17,105 26,106 0.258,107 0.557,108 0.743,109 0.816,110 0.834,111 0.834,112 3.008,113 1.018,114 -3.26,115 -3.25,116 -3.12,118 37.5,120 5,123 2,140 3,143 1,150 2,154 1,156 1,168 6,171 2,172 5,180 5,186 5,194 4,198 6,206 4,210 4,218 3,222 4,229 3,234 1,242 2,246 2,247 3,255 1,259 2,270 429,271 12.742,272 12.742,273 12.742,274 12.742,275 12.742,276 11.455,277 9.154,278 7.769,279 12.991,280 9.856,281 9.856,282 9.856,283 9.856,284 9.856,285 7.856,286 5.947,287 3.654,288 10.228,289 3.89,290 2.228,291 1.194,292 0.788,293 0.688,294 0.688,295 3.667,298 1,299 1,300 1,301 362,302 3.536,305 42.277,306 54.252,309 80.735,313 1.413,314 11.986,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 40.5,326 174,327 4.509,328 3.686,329 6.512,330 3.986,331 3.045,332 4.457,333 1.94,334 10.214,335 2.865,336 3.856,337 3.117,338 5.736,339 3.621,340 2.644,341 3.029,342 0.555,343 7.414,344 2.574,345 3.5,346 2.291,347 5.203,348 3.117,349 2.137,350 2.876,352 6.251,353 2.092,354 3.048,355 1.997,356 4.139,357 2.658,358 1.673,359 2.321,361 3.723,362 1.646,363 2.716,364 1.676,365 3.856,366 2.515,367 1.548,368 1.721,370 3.488,371 1.495,372 2.5,373 1.548,374 3.525,375 2.187,376 1.208,377 1.5,379 2.665,380 1.175,381 2.363,382 1.122,383 3.397,384 1.923,385 1,386 1.313,388 2.233,389 0.921,390 2.122,391 1,392 3.176,393 1.776,394 0.785,395 0.98,397 1.805,398 0.772,399 1.766,400 0.706,401 2.773,402 1.437,403 0.449,404 0.565,406 1.003,407 0.441,408 1.139,409 0.225,410 2.359,411 0.878,412 -0.135,413 -0.161,415 -0.302,416 -0.136,417 0.719,418 -0.252,419 2.154,420 0.391,421 -0.613,422 -0.764,424 -1.405,425 -0.611,426 0.5,427 -0.6,428 1.763,429 -0.046,430 -1,431 -1,433 -2,434 -0.9,435 0.156,436 -0.75,437 1.567,438 -0.098,439 -1,440 -1.344,442 -2.422,443 -0.946,445 -1,446 1.485,447 -0.1,448 -1.121,449 -1.5,451 -2.582,452 -1.142,453 -0.1,454 -1.081,455 1.282,456 -0.457,457 -1.448,458 -1.791,460 -3.552,461 -1.433,462 9.033,463 0.475,464 0.404,465 0.021,466 21.75,467 1.145,468 9.5,469 0.5,470 12.25,471 0.645,472 15.026,473 0.791,474 21.567,475 0.539,476 13.113,477 0.69,478 4.16,479 0.219,480 5.021,481 0.264,482 0.148,484 0.255,487 0.727,488 1.672,489 0.914,490 1.33,491 0.531,492 1.168,493 0.861,494 1.03,495 0.958,496 0.951,497 0.571,498 0.95,499 1.03,500 1.086,501 1.048,502 1.11,503 0.994,504 1.086,505 1.426,506 0.968,507 1.136,508 0.998,509 1.727,510 1.043,511 0.84,512 0.932,513 1.03,514 1.011,515 0.801,516 1.037,517 0.847,518 0.883,519 0.948,520 0.933,521 0.842,522 0.95,523 0.967,524 0.918,525 0.998,526 0.954,527 0.947,528 0.976,529 0.467,530 0.906,531 0.804,532 0.973,533 0.615,534 0.937,535 3,536 0.116,537 2.222,538 0.813,539 0.533,540 0.281,541 0.157,542 0.115,543 0.138,544 0.14,545 3519,546 8438,547 1.995,548 52.5,549 6,550 9,552 2,554 4,558 1.593,559 1.869,560 3.167,561 -0.776,563 1,565 1,567 57.28,568 1.432,569 3.094,570 4.128,571 4.534,572 4.634,573 4.634,574 2.46,575 4.037,576 4.223,577 3.362,578 574.97,579 7.143,580 6078.86,581 1,582 1,584 1,585 212.877,586 1.384,587 4.178,588 0.15,589 0.01,590 0.085,591 0.034,592 0.028,593 0.02,594 0.012,595 0.01,596 0.012,597 0.011,598 0.371,599 0.67,600 1,601 2.209,602 85.08,603 0.033,604 -0.378,605 0.062,606 -0.159,607 0.023,608 -0.066,609 0.089,610 0.127,611 0.037,612 0.069,613 0.051,614 0.052,615 -0.082,616 -0.055,617 -0.077,618 -0.077,620 -0.074,621 -0.199,622 -0.036,623 -0.146,624 -0.022,625 -0.207,626 -0.076,627 -0.07,628 -0.019,629 -0.084,630 -0.05,631 -0.072,632 -0.065,633 -0.045,634 0.013,635 0.001,636 0.023,637 -0.055,638 0.019,639 -0.08,640 0.002,641 -0.037,642 0.001,643 -0.069,644 -0.01,645 0.303,646 0.006,647 0.145,648 -0.007,649 0.122,650 0.04,651 1.447,652 4.43,653 0.474,654 13.978,655 0.99,656 1.136,657 2.035,658 4.14,659 0.633,660 3.045,661 3.296,662 3.497,663 3.638,664 3.689,665 3.664,666 3.664,667 3.689,668 3.497,669 3.497,670 5.822,671 0.588,672 259.39,673 3.045,674 4.533,675 5.342,676 6.176,677 7.008,678 7.849,679 8.69,680 9.537,681 10.384,682 11.236,683 7.5,690 1,691 1,693 1,698 1,699 5,700 1,704 1,706 10,724 40,726 11,728 20,730 41,731 15,733 7,739 2,740 3,751 5,753 8,754 7,756 1,761 1,765 1,768 1,769 1,772 21,773 3,775 4,778 1,779 3,784 0.5,785 1,795 1,801 1,802 1,805 1,817 1,832 1,836 2,840 19,846 5,851 1,862 2.5,865 1,869 10.167,870 7.683,871 4.333,872 2.514,874 2.101,875 1.342,876 0.942,877 4.833,878 8.243,879 3.296,880 3.834,881 4.396,882 4.931,883 5.315,884 5.558,885 5.84,886 6.126,887 5.566,888 5.619,889 0.833,890 24,891 7.022,893 2.805,894 7.632,895 13.726,897 10.827,899 2.132,900 40.5,901 0.002,904 247.193,905 85.166,906 21.196,908 25.145,911 85.166,912 272.338,913 21.196,914 16.793,915 15.797,916 28.429,917 78.796,918 10.334,919 4.901,920 223.651,922 247.193,923 106.362,924 25.145,927 247.193,928 25.145,931 34.749,932 54.827,933 16.786,935 247.193,936 46.341,937 85.166,940 247.193,941 22.278,942 67.298,944 41.93,945 247.193,946 46.341,947 85.166,949 0.567,950 0.325,951 0.154,952 0.072,953 11,954 5,955 0.146,956 6,957 1,958 1.222,959 3.249,960 124.361,961 0.222,962 9,963 78.711,968 13.914,969 6.599,970 3.726,971 1.139,972 45.055,973 10.007,974 4.162,978 1.286,981 378.7,982 26,987 11.43,991 0.219,994 39.585,995 45.441,996 0.269,997 0.581,998 0.776,999 0.852,1000 0.871,1001 0.871,1002 4.483,1003 0.785,1004 5.293,1005 2.233,1006 3.97,1007 4.516,1008 2.04,1009 6.033,1010 3.898,1011 5.655,1012 0.449,1013 6.815,1014 1.805,1015 3.434,1016 4.29,1017 1.668,1018 6.868,1019 3.297,1020 6.937,1021 -0.135,1022 8.446,1023 1.003,1024 5.485,1025 6.716,1026 2.967,1027 9.937,1028 5.325,1029 8.265,1030 -0.613,1031 10.144,1032 -0.302,1033 5.832,1034 7.44,1035 3.13,1036 11.67,1037 5.587,1038 9.634,1039 -1,1040 11.887,1041 -1.405,1042 7.313,1043 9.306,1044 4.132,1045 14.24,1046 7.045,1047 11.032,1048 -1,1049 13.659,1050 -2,1051 8.064,1052 10.458,1053 4.539,1054 16.32,1055 7.708,1056 12.452,1057 -1.121,1058 15.452,1059 -2.422,1060 9.315,1061 12.106,1062 5.382,1063 18.729,1064 8.927,1065 3.045,1066 -1.448,1067 17.259,1068 -2.582,1069 10.254,1070 13.452,1071 5.912,1072 20.949,1073 9.782,1074 2.644,1075 10.214,1076 19.079,1077 -3.552,1078 11.411,1079 15.01,1080 6.67,1081 23.303,1082 10.896,1083 2.137,1084 7.414,1085 20.906,1086 4.457,1087 12.437,1088 16.44,1089 7.263,1090 25.582,1091 11.844,1092 1.673,1093 6.251,1094 22.741,1095 3.029,1096 13.557,1097 17.962,1098 7.976,1099 27.917,1100 12.913,1101 1.548,1102 3.723,1103 24.581,1104 2.876,1105 14.623,1106 19.428,1107 8.602,1108 30.22,1109 13.906,1110 1.208,1111 3.488,1112 26.426,1113 2.321,1114 15.731,1115 20.934,1116 9.292,1117 32.548,1118 14.957,1119 1,1120 2.665,1121 28.275,1122 1.721,1123 16.816,1124 22.417,1125 9.936,1126 34.863,1127 15.973,1128 3580,1129 5612,1130 13.118,1131 25.324,1132 29.36,1133 29.822,1134 29.833,1135 28.98,1136 28.979,1137 37.525,1138 4.992,1139 77.591,1140 27.962,1141 5.442,1142 5.686,1143 6.281,1144 5.033,1145 5.045,1146 7.457,1147 3.348,1148 16.99,1149 4.838,1150 9.532,1151 1.468,1152 1.491,1153 1.492,1154 1.449,1155 1.449,1156 1.876,1157 0.25,1158 3.88,1159 1.398,1160 4.12,1161 4.169,1162 4.081,1163 3.977,1164 7.427,1165 3.996,1166 3.78,1167 3.838,1168 3.666,1169 3.621,1170 5.051,1171 3.618,1172 3.576,1173 3.65,1174 3.433,1175 3.381,1176 4.377,1177 3.388,1178 3.358,1179 3.428,1180 3.236,1181 3.197,1182 4.231,1183 3.199,1184 3.244,1185 3.319,1186 3.063,1187 3.076,1188 4.073,1189 3.063,1190 2.978,1191 3.042,1192 2.819,1193 2.798,1194 3.79,1195 2.791,1196 2.874,1197 3.009,1198 2.526,1199 2.618,1200 3.467,1201 2.57,1202 2.711,1203 2.782,1204 2.499,1205 2.488,1206 3.46,1207 2.484,1208 0.225,1209 0.184,1210 0.326,1211 0.199,1212 0.152,1213 4.509,1214 0.223,1215 3.686,1216 0.097,1217 6.512,1218 0.511,1219 3.986,1220 0.143,1221 3.045,1222 4.457,1223 1.94,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.073,1229 2.089,1230 1.373,1231 2.084,1232 1.738,1233 1.683,1234 1.948,1235 1.929,1236 1.163,1237 1.936,1238 1.532,1239 1.464,1240 1.791,1241 1.765,1242 0.934,1243 1.783,1244 1.362,1245 1.291,1246 1.622,1247 1.579,1248 0.798,1249 1.583,1250 1.229,1251 1.144,1252 1.453,1253 1.476,1254 0.519,1255 1.491,1256 1.013,1257 0.952,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.934,1263 0.811,1264 1.232,1265 1.201,1266 0.338,1267 1.216,1268 0.885,1269 0.804,1270 1.22,1271 1.148,1272 0.3,1273 1.175,1274 3.714,1276 4.977,1277 2.398,1278 6.425,1279 4.595,1280 7.966,1281 6.605,1282 9.56,1284 3.615,1290 4.853,1295 1.659,1300 23.52,1301 57.28,1302 123.758,1303 165.103,1304 181.367,1305 185.367,1306 185.367,1307 29.206,1308 6.142,1309 37.61,1310 37.61,1311 11,1312 11.794,1313 3.585,1314 2.807,1315 34.083,1316 67,1317 55,1318 0.249,1319 149.611,1320 250.13,1321 356.811,1322 3351,1324 13.665,1325 0.719,1326 0.614,1327 13.665,1328 11.672,1329 9.182,1330 0.459,1331 0.339,1332 6.692,1333 8.835,1334 6.458,1335 5.449,1336 9.182,1337 6.784,1338 7.905,1339 0.304,1340 0.194,1341 7.905,1342 5.054,1343 6.346,1344 0.198,1345 0.105,1346 6.346,1347 3.355,1348 4.642,1349 0.125,1350 0.059,1351 4.642,1352 2.193,1353 3.282,1354 0.084,1355 0.035,1356 3.282,1357 1.384,1358 0.402,1359 57.448,1360 0.276,1361 19.587,1362 0.646,1363 92,1364 248.671,1365 100.154,1366 241.934,1367 326.84,1368 226,1369 104,1370 236.735,1371 112.849,1372 242.368,1373 345.33,1374 225,1375 6.26} {0 CHEMBL542490,1 1.782,2 10.808,3 3.195,4 10.208,5 99.669,6 8.445,7 0.444,8 3.928,9 4.021,10 3.733,11 3.522,12 5.038,13 3.465,14 4.466,15 4.609,16 3.995,17 3.894,18 5.845,19 3.805,20 4.768,21 4.97,22 4.002,23 4.034,24 5.862,25 3.9,26 4.828,27 5.047,28 3.906,29 3.977,30 5.935,31 3.842,32 4.806,33 5.04,34 3.98,35 3.959,36 5.861,37 3.821,38 4.785,39 5.001,40 4.038,41 3.96,42 5.983,43 3.839,44 4.753,45 4.966,46 3.896,47 3.929,48 5.959,49 3.82,50 4.677,51 4.871,52 3.82,53 3.865,54 5.946,55 3.765,56 0.129,57 0.662,58 11.088,59 4.822,60 24.877,61 5.496,62 0.447,63 1.035,64 18.512,65 8.067,66 80.91,67 9.749,68 0.478,69 1.286,70 34.103,71 11.693,72 83.325,73 13.841,74 0.64,75 1.329,76 35.864,77 11.413,78 110.747,79 13.603,80 0.637,81 1.323,82 36.579,83 11.117,84 104.517,85 13.303,86 0.713,87 1.276,88 36.304,89 11.075,90 112.954,91 13.284,92 0.641,93 1.22,94 32.209,95 10.576,96 107.703,97 12.69,98 0.591,99 1.113,100 29.753,101 9.847,102 89.542,103 11.672,104 31,105 36,106 0.306,107 0.637,108 0.795,109 0.879,110 0.879,111 0.879,112 3.303,113 1.124,114 -3.29,115 -3.28,116 -3.14,118 38.3,120 4,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 3,175 3,177 2,180 10,181 1,186 7,191 5,194 9,195 1,198 8,203 5,206 4,207 1,210 6,213 1,215 3,218 5,219 1,222 8,227 3,229 8,230 1,233 2,234 6,239 1,240 1,242 9,243 1,247 5,248 1,250 1,251 1,252 1,255 9,256 1,258 1,259 3,260 2,262 1,264 1,267 8,270 1192,271 16.99,272 16.99,273 16.99,274 16.99,275 16.99,276 15.018,277 12.219,278 10.309,279 17.359,280 13.316,281 13.316,282 13.316,283 13.316,284 13.316,285 10.375,286 6.485,287 4.911,288 13.979,289 3.772,290 1.837,291 0.915,292 0.426,293 0.426,294 0.426,295 3.965,297 1,299 1,300 1,301 571,302 4.416,306 207.445,313 1.515,314 40.374,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 57.333,326 281,327 4.845,328 4.684,329 7.293,330 4.294,331 3.377,332 4.697,333 2.341,334 12.408,335 3.07,336 4.069,337 3.596,338 6.134,339 3.82,340 2.826,341 3.548,343 9.021,344 2.804,345 3.834,346 3.066,347 5.149,348 3.31,349 2.399,350 3.393,352 6.32,353 2.219,354 3.55,355 2.898,356 4.743,357 3.237,358 2.232,359 2.71,361 5.188,362 2.156,363 3.217,364 1.996,365 4.661,366 2.888,367 1.915,368 2.398,370 4.869,371 1.859,372 3.072,373 1.816,374 4.476,375 2.562,376 1.623,377 2.278,379 4.539,380 1.456,381 2.654,382 1.58,383 3.564,384 2.409,385 1.42,386 1.681,388 2.957,389 1.394,390 2.5,391 1.266,392 3.498,393 2.11,394 1.136,395 1.5,397 2.596,398 1.102,399 2.5,400 1,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.362,409 1,410 3.247,411 1.956,412 1,413 1.33,415 2.136,416 0.953,417 1.718,418 0.981,419 3.199,420 1.571,421 0.602,422 0.641,424 1.358,425 0.578,426 1.23,427 0.669,428 2.716,429 1.057,430 0.078,431 0.085,433 0.176,434 0.075,435 1.119,436 0.469,437 2.543,438 0.589,439 -0.227,440 -0.286,442 -0.5,443 -0.15,444 1,445 0.214,446 2.283,447 0.307,448 -0.686,449 -0.761,451 -1.545,452 -0.665,453 0.664,454 -0.181,455 2,456 0.152,457 -0.838,458 -1.018,460 -2,461 -0.814,462 12.681,463 0.488,464 0.704,465 0.027,466 32,467 1.231,468 16.5,469 0.635,470 15.5,471 0.596,472 22.156,473 0.852,474 29.319,475 0.624,476 24.188,477 0.93,478 6.01,479 0.231,480 6.372,481 0.245,482 0.161,483 0.066,484 0.197,487 0.593,488 1.306,489 0.732,490 1.178,491 0.683,492 0.962,493 0.486,494 1.156,495 0.795,496 1.028,497 0.45,498 1.068,499 0.888,500 1.136,501 1.065,502 1.125,503 0.84,504 1.063,505 1.113,506 1.082,507 1.031,508 1.023,509 1.105,510 1.049,511 0.986,512 0.924,513 0.77,514 0.851,515 1.017,516 0.917,517 0.853,518 1.005,519 0.919,520 1.059,521 0.91,522 0.967,523 1.026,524 0.913,525 0.893,526 0.915,527 1.107,528 0.925,529 1.102,530 1.018,531 1.01,532 1.034,533 1.166,534 1.044,535 6,536 0.144,537 3.333,538 1.438,539 0.853,540 0.896,541 0.589,542 0.403,543 0.254,544 0.233,545 7467,546 27786,547 1.943,548 44.7,549 6,550 8,552 2,553 2,554 2,555 1,558 1.695,559 1.803,560 3.381,561 0.327,562 1,563 1,567 83.768,568 1.782,569 3.718,570 4.639,571 5.129,572 5.129,573 5.129,574 2.83,575 3.95,576 4.668,577 3.561,578 1157.21,579 8.113,580 15065.8,582 1,584 1,585 261.066,586 1.553,587 4.611,588 0.222,589 0.007,590 0.093,591 0.041,592 0.028,593 0.029,594 0.018,595 0.012,596 0.008,597 0.009,598 0.467,599 0.33,600 1,601 1.542,602 128.425,603 0.028,604 -0.075,605 0.131,606 -0.036,607 -0.104,608 0.034,609 0.251,610 -0.029,611 0.005,612 -0.035,613 0.275,614 -0.101,615 -0.084,616 -0.127,617 -0.072,618 -0.07,619 -0.034,620 -0.049,621 -0.169,622 -0.091,623 -0.106,624 -0.047,625 -0.127,626 -0.077,627 -0.103,628 0.088,629 0.081,630 0.106,631 -0.115,632 0.05,633 0.054,634 -0.006,635 0.058,636 -0.035,637 0.023,638 0.025,639 -0.065,640 0.072,641 -0.029,642 0.044,643 -0.077,644 0.046,645 -0.087,646 -0.046,647 -0.125,648 -0.08,649 -0.102,650 -0.078,651 4.564,652 5.451,653 0.462,654 25.053,655 1.016,656 1.124,657 2.064,658 4.26,659 0.68,660 3.332,661 3.611,662 3.738,663 3.85,664 4.025,665 4.025,666 3.989,667 3.932,668 3.951,669 4.007,670 6.518,671 0.642,672 396.93,673 3.332,674 4.844,675 5.638,676 6.482,677 7.3,678 8.15,679 8.98,680 9.834,681 10.67,682 11.528,683 4.3,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 47,726 15,727 1,728 27,730 48,731 18,733 11,734 2,735 4,739 2,740 2,741 1,751 4,753 12,754 6,755 1,756 3,760 1,761 3,765 1,769 1,772 21,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 26,844 1,845 1,846 5,847 1,850 1,861 1,862 8.5,864 1,865 3,869 14.417,870 7.96,871 5.819,872 2.761,874 1.781,875 1.276,876 0.927,877 7.732,878 8.229,879 3.611,880 4.159,881 4.522,882 4.924,883 5.38,884 5.398,885 5.432,886 5.271,887 5.498,888 5.831,889 1,890 35,891 9.858,893 4.356,894 8.155,895 17.993,897 14.587,899 2.655,900 69.028,903 1,904 223.651,905 102.15,906 33.191,907 39.149,908 112.141,910 5.807,911 96.343,912 374.941,913 33.191,915 12.244,916 79.07,917 153.379,918 26.332,920 200.109,921 39.149,922 223.651,923 129.533,924 112.141,925 44.956,927 211.88,928 123.912,931 46.744,932 66.004,933 61.742,935 223.651,936 145.332,937 141.299,939 5.807,940 223.651,941 21.391,942 74.952,943 16.405,944 168.075,945 223.651,946 145.332,947 141.299,949 0.574,950 0.304,951 0.143,952 0.08,953 14,954 7,955 0.208,956 10,958 1,959 3.763,960 197.305,962 12,963 116.211,967 1,968 20.532,969 9.791,970 6.812,972 145.332,973 13.022,974 4.088,978 1.537,980 59.088,981 510.282,982 36,986 -3.647,987 35.543,991 -0.827,994 47.749,995 52.85,996 0.321,997 0.669,998 0.835,999 0.923,1000 0.923,1001 0.923,1002 4.82,1003 1.136,1004 5.638,1005 2.957,1006 4.29,1007 4.844,1008 2.258,1009 6.422,1010 4.195,1011 6.032,1012 1,1013 7.195,1014 2.596,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.783,1020 7.36,1021 1,1022 8.879,1023 2.275,1024 5.911,1025 7.086,1026 3.628,1027 10.612,1028 5.697,1029 8.735,1030 0.602,1031 10.646,1032 2.136,1033 6.463,1034 7.971,1035 4.112,1036 12.714,1037 6.102,1038 10.152,1039 0.078,1040 12.472,1041 1.358,1042 7.897,1043 9.739,1044 5.201,1045 15.329,1046 7.529,1047 11.601,1048 -0.227,1049 14.338,1050 0.176,1051 8.817,1052 10.99,1053 5.889,1054 17.711,1055 8.305,1056 13.075,1057 -0.686,1058 16.235,1059 -0.5,1060 10.088,1061 12.61,1062 6.849,1063 20.244,1064 9.536,1065 3.377,1066 -0.838,1067 18.153,1068 -1.545,1069 11.17,1070 14.022,1071 7.625,1072 22.713,1073 10.488,1074 2.826,1075 12.408,1076 20.087,1077 -2,1078 12.387,1079 15.591,1080 8.526,1081 25.23,1082 11.639,1083 2.399,1084 9.021,1085 22.033,1086 4.697,1087 13.539,1088 17.076,1089 9.342,1090 27.729,1091 12.671,1092 2.232,1093 6.32,1094 23.987,1095 3.548,1096 14.743,1097 18.627,1098 10.216,1099 30.243,1100 13.791,1101 1.915,1102 5.188,1103 25.948,1104 3.393,1105 15.926,1106 20.145,1107 11.051,1108 32.753,1109 14.863,1110 1.623,1111 4.869,1112 27.914,1113 2.71,1114 17.13,1115 21.691,1116 11.912,1117 35.268,1118 15.972,1119 1.42,1120 4.539,1121 29.885,1122 2.398,1123 18.327,1124 23.224,1125 12.755,1126 37.783,1127 17.062,1128 7600,1129 14812,1130 17.277,1131 31.949,1132 39.308,1133 40.864,1134 40.189,1135 39.496,1136 39.215,1137 51.522,1138 4.682,1139 107.686,1140 37.331,1141 5.793,1142 6.684,1143 7.095,1144 5.345,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.07,1150 14.842,1151 1.456,1152 1.513,1153 1.488,1154 1.463,1155 1.452,1156 1.908,1157 0.173,1158 3.988,1159 1.383,1160 4.081,1161 4.066,1162 4.736,1163 4.066,1164 7.717,1165 3.98,1166 3.912,1167 3.944,1168 3.925,1169 3.828,1170 7.474,1171 3.823,1172 3.71,1173 3.759,1174 3.849,1175 3.58,1176 6.999,1177 3.563,1178 3.649,1179 3.655,1180 3.589,1181 3.558,1182 6.351,1183 3.5,1184 3.444,1185 3.464,1186 3.357,1187 3.279,1188 4.93,1189 3.272,1190 3.161,1191 3.199,1192 3.164,1193 2.933,1194 4.892,1195 2.942,1196 2.854,1197 2.925,1198 3.017,1199 2.735,1200 4.271,1201 2.715,1202 2.814,1203 2.888,1204 2.687,1205 2.659,1206 4.171,1207 2.644,1208 0.179,1209 0.173,1210 0.27,1211 0.159,1212 0.125,1213 4.845,1214 0.174,1215 4.684,1216 0.087,1217 7.293,1218 0.46,1219 4.294,1220 0.114,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.07,1226 1.962,1227 1.969,1228 2.061,1229 2.052,1230 1.405,1231 2.082,1232 1.894,1233 1.86,1234 1.951,1235 1.983,1236 1.178,1237 2.009,1238 1.696,1239 1.645,1240 1.904,1241 1.869,1242 1.113,1243 1.882,1244 1.526,1245 1.519,1246 1.692,1247 1.715,1248 0.829,1249 1.732,1250 1.355,1251 1.344,1252 1.458,1253 1.557,1254 0.708,1255 1.572,1256 1.085,1257 1.044,1258 1.181,1259 1.329,1260 0.471,1261 1.343,1262 0.886,1263 0.821,1264 1.163,1265 1.069,1266 0.243,1267 1.107,1268 0.806,1269 0.737,1270 1.056,1271 1.062,1272 0.218,1273 1.082,1274 4.007,1276 5.293,1278 6.763,1280 8.314,1282 9.909,1285 5.799,1289 8.74,1290 2.229,1291 2.628,1294 -0.084,1300 30.185,1301 83.768,1302 174.747,1303 218.046,1304 241.066,1305 241.066,1306 241.066,1307 83.009,1308 6.447,1309 96.36,1310 104.74,1311 12,1312 12.085,1313 4,1314 3.322,1315 54.747,1316 97,1317 104,1318 0.263,1319 197.191,1320 345.84,1321 472.907,1322 4463,1323 2.1,1324 18.993,1325 0.731,1326 0.604,1327 19.743,1328 15.709,1329 12.382,1330 0.459,1331 0.375,1332 8.319,1333 10.888,1334 8.006,1335 6.638,1336 13.492,1337 10.113,1338 11.321,1339 0.314,1340 0.226,1341 13.052,1342 8.132,1343 8.203,1344 0.2,1345 0.139,1346 9.583,1347 5.684,1348 5.984,1349 0.13,1350 0.082,1351 7.005,1352 3.786,1353 4.673,1354 0.085,1355 0.052,1356 5.749,1357 2.876,1358 0.413,1359 88.759,1360 0.241,1361 25.346,1362 0.718,1363 126,1364 434.398,1365 189.911,1366 466.087,1367 594.95,1368 424,1369 140,1370 360.182,1371 203.141,1372 409.253,1373 582.92,1374 382,1375 7.114} {0 CHEMBL542545,1 1.57,2 8.933,3 1.873,4 3.507,5 57.265,6 7.113,7 0.333,8 3.432,9 3.556,10 2.929,11 2.899,12 4.604,13 2.881,14 3.932,15 4.134,16 3.122,17 3.2,18 5.196,19 3.13,20 4.096,21 4.371,22 2.827,23 3.22,24 4.99,25 3.055,26 4.024,27 4.31,28 2.743,29 3.129,30 4.801,31 2.961,32 3.963,33 4.229,34 2.682,35 3.018,36 4.9,37 2.876,38 3.83,39 4.093,40 2.585,41 2.87,42 4.825,43 2.744,44 3.623,45 3.861,46 2.474,47 2.696,48 4.717,49 2.591,50 3.427,51 3.671,52 2.339,53 2.445,54 4.622,55 2.376,56 0.033,57 0.403,58 6.174,59 2.464,60 9.284,61 3.4,62 0.221,63 0.596,64 11.239,65 3.798,66 41.127,67 5.571,68 0.144,69 0.614,70 13.929,71 4.888,72 31.703,73 7.34,74 0.126,75 0.566,76 13.023,77 4.496,78 24.287,79 6.863,80 0.191,81 0.509,82 12.499,83 3.916,84 35.39,85 5.842,86 0.181,87 0.441,88 10.988,89 3.281,90 33.03,91 4.91,92 0.144,93 0.359,94 8.791,95 2.693,96 28.988,97 3.908,98 0.142,99 0.282,100 7.381,101 2.003,102 28.278,103 2.944,104 13,105 17,106 0.307,107 0.663,108 0.819,109 0.883,110 0.883,111 0.883,112 2.787,113 0.993,114 -2.68,115 -2.7,116 -2.63,118 37.9,120 4,124 1,139 2,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 8.96,277 7.972,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.776,286 3.9,287 3.241,288 7.742,289 3.288,290 1.473,291 0.673,292 0.345,293 0.345,294 0.345,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 12.806,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 134,327 4.004,328 3.712,329 5.352,330 3.458,331 2.542,332 3.479,333 2.746,334 6.997,335 2.329,336 3.92,337 2.647,338 4.659,339 3.241,340 2.235,341 3.148,343 5.184,344 2.222,345 3.118,346 2.441,347 3.822,348 2.779,349 1.784,350 1.966,352 3.61,353 1.772,354 2.793,355 1.626,356 3.509,357 2.366,358 1.395,359 1.783,361 2.888,362 1.35,363 2.533,364 1.263,365 3.162,366 2.031,367 1.072,368 1.405,370 2.232,371 1.022,372 2.118,373 1.014,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.911,382 0.618,383 2.652,384 1.511,385 0.526,386 0.669,388 1.09,389 0.515,390 1.104,391 0.495,392 2.131,393 0.85,394 -0.136,395 -0.163,397 -0.292,398 -0.133,399 0.531,400 0.204,401 1.605,402 0.224,403 -0.763,404 -0.816,406 -1.699,407 -0.73,408 0.327,409 -0.38,410 1.059,411 -0.015,412 -1,413 -1.311,415 -2,416 -0.972,417 -0.059,418 -0.951,419 1,420 -0.294,421 -1.253,422 -1.492,424 -2.746,425 -1.221,426 -0.118,427 -1.241,428 1,429 -0.61,430 -1.583,431 -1.811,433 -3.358,434 -1.472,435 -0.237,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.427,442 -4.156,443 -1.546,444 -0.554,445 -1.66,446 0.37,447 -0.865,448 -1.838,449 -2.585,450 -0.977,451 -4.372,452 -1.773,453 -0.89,454 -1.88,455 0.133,456 -1.024,457 -1.982,458 -2.771,459 -1.769,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 16.75,467 1.117,468 7.5,469 0.5,470 9.25,471 0.617,472 9.934,473 0.662,474 17.033,475 0.587,476 9.246,477 0.616,478 3.328,479 0.222,480 3.96,481 0.264,482 0.096,484 0.129,487 0.828,488 1.548,489 0.86,490 1.246,491 0.695,492 1.089,493 0.593,494 1.102,495 0.99,496 1.106,497 0.312,498 1.103,499 0.512,500 0.996,501 0.93,502 1.081,503 0.419,504 1.081,505 0.423,506 0.97,507 0.856,508 1.041,509 0.376,510 1.025,511 0.965,512 0.925,513 1.046,514 0.973,515 0.977,516 1.017,517 1.101,518 0.908,519 1.064,520 0.929,521 1.118,522 0.978,523 1.25,524 1.018,525 1.113,526 1.02,527 1.346,528 1.044,529 1.52,530 0.89,531 1.044,532 0.81,533 1.614,534 0.836,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6596,547 1.925,548 48.3,549 6,550 2,551 1,552 2,553 1,555 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 45.525,568 1.57,569 3.385,570 4.185,571 4.513,572 4.513,573 4.513,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 140.881,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.075,604 -0.306,605 0.005,606 -0.11,607 -0.028,608 -0.054,609 0.171,610 0.03,611 -0.079,612 -0.098,613 0.331,614 -0.125,615 0.021,616 -0.058,617 -0.023,618 -0.083,619 0.086,620 -0.061,621 0.06,622 -0.045,623 0.053,624 -0.053,625 0.041,626 -0.005,627 -0.112,628 -0.013,629 -0.088,630 -0.021,631 -0.13,632 -0.044,633 -0.149,634 0.005,635 -0.088,636 0.005,637 -0.171,638 -0.023,639 -0.179,640 -0.097,641 -0.133,642 -0.065,643 -0.221,644 -0.088,645 -0.229,646 0.002,647 -0.015,648 0.094,649 -0.25,650 0.082,651 2.714,652 3.06,653 0.333,654 11.271,655 1.006,656 1.135,657 1.454,658 2.114,659 0.638,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.608,672 206.27,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.9,691 1,693 1,699 3,700 1,705 1,706 5,724 29,726 7,728 15,730 29,731 11,733 3,739 1,740 1,751 4,752 2,753 4,754 5,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,809 2,818 1,830 1,832 1,840 15,845 1,846 5,853 1,860 2,862 6.9,864 1,865 1,869 8.167,870 5.017,871 3.583,872 1.819,874 1.443,875 1.281,876 0.875,877 5.39,878 6.585,879 3.068,880 3.442,881 3.793,882 4.07,883 3.747,884 3.723,885 3.698,886 3.77,887 3.899,888 4.275,889 0.833,890 12,891 5.479,892 -0.001,893 2.096,894 8.044,895 10.314,897 7.576,898 -0.001,899 2.544,900 38.167,901 0.003,904 153.024,905 73.928,906 18.685,908 67.828,911 73.928,912 220.853,913 18.685,915 12.244,916 9.047,917 117.684,918 10.947,919 45.832,920 117.711,922 153.024,923 92.613,924 67.828,927 129.482,928 91.37,931 31.809,932 9.957,933 50.847,935 153.024,936 86.513,937 73.928,940 153.024,941 13.154,942 28.613,943 34.061,944 84.614,945 153.024,946 86.513,947 73.928,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.172,956 5,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.645,969 6.942,970 5.794,972 84.614,973 5.493,974 3.945,979 2.031,980 42.683,981 313.466,982 20.5,987 10.06,991 -1.048,994 29.16,995 32.907,996 0.323,997 0.697,998 0.862,999 0.929,1000 0.929,1001 0.929,1002 4.208,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.119,1008 2.536,1009 5.252,1010 3.479,1011 5.351,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1017 2.724,1018 5.46,1019 2.41,1020 6.588,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 6.07,1026 4.228,1027 8.47,1028 4.674,1029 7.861,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.171,1035 4.934,1036 9.649,1037 4.411,1038 9.164,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.256,1044 6.134,1045 12.016,1046 6.068,1047 10.487,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.824,1053 7.025,1054 13.616,1055 6.224,1056 11.825,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.552,1062 8.112,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.38,1071 9.073,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.908,1080 10.115,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.479,1087 10.412,1088 13.891,1089 11.104,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 3.148,1096 11.465,1097 15.303,1098 12.128,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 1.966,1105 12.261,1106 16.381,1107 13.13,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.783,1114 13.26,1115 17.723,1116 14.145,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.405,1123 14.107,1124 18.86,1125 15.152,1126 29.19,1127 13.036,1128 2036,1129 3860,1130 9.822,1131 18.489,1132 21.659,1133 20.922,1134 20.581,1135 20.346,1136 20.347,1137 26.752,1138 5.492,1139 46.746,1140 19.576,1141 4.893,1142 5.591,1143 5.22,1144 4.482,1145 4.524,1146 6.25,1147 4.515,1148 11.747,1149 4.268,1150 6.767,1151 1.444,1152 1.395,1153 1.372,1154 1.356,1155 1.356,1156 1.783,1157 0.366,1158 3.116,1159 1.305,1160 3.938,1161 4.008,1162 3.868,1163 3.744,1164 7.478,1165 3.762,1166 3.72,1167 3.767,1168 3.634,1169 3.596,1170 6.352,1171 3.6,1172 3.493,1173 3.518,1174 3.389,1175 3.337,1176 4.953,1177 3.342,1178 3.194,1179 3.244,1180 3.035,1181 2.964,1182 4.612,1183 2.972,1184 2.813,1185 2.888,1186 2.642,1187 2.55,1188 4.043,1189 2.565,1190 2.497,1191 2.59,1192 2.283,1193 2.298,1194 3.642,1195 2.285,1196 2.416,1197 2.516,1198 2.209,1199 2.133,1200 3.345,1201 2.139,1202 2.171,1203 2.293,1204 1.876,1205 1.83,1206 3.179,1207 1.822,1208 0.267,1209 0.247,1210 0.357,1211 0.231,1212 0.169,1213 4.004,1214 0.232,1215 3.712,1216 0.183,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.479,1223 2.746,1224 6.997,1225 2.329,1226 1.783,1227 1.727,1228 2.009,1229 1.956,1230 1.344,1231 1.974,1232 1.59,1233 1.544,1234 1.772,1235 1.777,1236 1.005,1237 1.777,1238 1.36,1239 1.318,1240 1.535,1241 1.573,1242 0.627,1243 1.548,1244 1.279,1245 1.215,1246 1.443,1247 1.524,1248 0.415,1249 1.505,1250 1.036,1251 0.978,1252 1.269,1253 1.328,1254 0.242,1255 1.321,1256 0.683,1257 0.609,1258 1.063,1259 0.989,1260 0.015,1261 1.025,1262 0.342,1263 0.247,1264 0.826,1265 0.688,1267 0.738,1268 0.099,1270 0.652,1271 0.52,1273 0.557,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.257,1290 4.717,1299 4.711,1300 17.633,1301 45.525,1302 98.152,1303 121.372,1304 130.881,1305 130.881,1306 130.881,1307 22.626,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3,1314 2.7,1315 31.761,1316 51,1317 38,1318 0.299,1319 115.837,1320 201.98,1321 274.402,1322 894,1324 10.933,1325 0.729,1326 0.568,1327 10.933,1328 8.517,1329 7.288,1330 0.486,1331 0.331,1332 4.889,1333 6.962,1334 4.804,1335 4.04,1336 7.288,1337 4.964,1338 5.889,1339 0.346,1340 0.189,1341 5.889,1342 3.218,1343 3.869,1344 0.228,1345 0.116,1346 3.869,1347 1.973,1348 2.815,1349 0.156,1350 0.069,1351 2.815,1352 1.242,1353 1.559,1354 0.111,1355 0.048,1356 1.559,1357 0.671,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 233.175,1365 71.953,1366 223.764,1367 285.78,1368 206,1369 66,1370 190.596,1371 72.682,1372 193.216,1373 268.6,1374 179,1375 7.377} {0 CHEMBL542546,1 1.554,2 8.588,3 1.602,4 2.566,5 64.431,6 7.429,7 0.611,8 3.525,9 3.638,10 3.077,11 3.052,12 4.698,13 3.036,14 4.012,15 4.182,16 3.356,17 3.409,18 5.234,19 3.358,20 4.216,21 4.421,22 3.174,23 3.48,24 5.21,25 3.359,26 4.246,27 4.505,28 3.067,29 3.391,30 5.182,31 3.253,32 4.072,33 4.326,34 3.091,35 3.264,36 5.112,37 3.16,38 3.928,39 4.142,40 2.911,41 3.063,42 5.126,43 2.977,44 3.721,45 3.99,46 2.479,47 2.715,48 4.717,49 2.602,50 3.32,51 3.58,52 2.312,53 2.451,54 4.205,55 2.355,56 0.032,57 0.44,58 6.222,59 2.759,60 8.112,61 3.561,62 0.212,63 0.688,64 11.204,65 4.351,66 33.395,67 5.906,68 0.167,69 0.757,70 14.691,71 5.856,72 33.972,73 7.893,74 0.208,75 0.747,76 16.319,77 5.787,78 35.238,79 8.242,80 0.108,81 0.636,82 13.383,83 4.99,84 19.723,85 7.141,86 0.15,87 0.533,88 11.47,89 3.976,90 30.184,91 5.355,92 0.178,93 0.41,94 10.116,95 2.978,96 28.294,97 4.264,98 0.06,99 0.293,100 6.308,101 2.108,102 10.135,103 3.098,104 8,105 23,106 0.295,107 0.652,108 0.781,109 0.83,110 0.855,111 0.855,112 2.905,113 0.915,114 -3.07,115 -3.07,116 -2.95,118 41.9,120 2,124 1,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 3,191 1,194 7,195 1,198 4,203 1,206 3,207 2,210 5,215 2,218 1,219 2,222 5,227 2,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 295,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.878,277 13.594,278 7.063,279 11.612,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 6.656,286 16.724,287 3.424,288 9.199,289 3.4,290 1.521,291 0.839,292 0.581,293 0.452,294 0.452,295 3.561,299 1,300 1,301 303,302 2.739,305 51.956,306 57.97,313 1.73,314 14.127,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37,326 146,327 4.094,328 3.6,329 5.62,330 3.71,331 2.734,332 3.683,333 2.341,334 7.798,335 2.683,336 3.878,337 2.941,338 5.344,339 3.458,340 2.5,341 3.437,342 0.522,343 6.982,344 2.39,345 3.563,346 2.652,347 4.971,348 3.202,349 2.213,350 2.792,352 5.918,353 2.161,354 3.381,355 2.244,356 4.6,357 2.991,358 2,359 2.62,361 5.019,362 1.967,363 2.589,364 1.281,365 3.434,366 2.1,367 1.175,368 1.624,370 2.579,371 1.085,372 2.5,373 1.086,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.118,382 1,383 3,384 1.644,385 0.645,386 0.927,388 1.431,389 0.639,390 1.865,391 0.618,392 3,393 1.554,394 0.618,395 0.741,397 1.372,398 0.577,399 1.24,400 0.526,401 2.601,402 0.94,403 -0.039,404 -0.048,406 -0.096,407 -0.038,408 0.651,409 0.197,410 2,411 0.307,412 -0.667,413 -0.797,415 -1.706,416 -0.638,417 0.5,418 -0.296,419 1.912,420 0.003,421 -1,422 -1.263,424 -2,425 -0.956,426 0.441,427 -0.86,428 1.483,430 -1,431 -1.5,433 -3,434 -1,435 -0.004,436 -1,437 1,438 -0.221,439 -1.184,440 -1.549,442 -3.041,443 -1.187,444 -0.118,445 -1.291,446 1,447 -0.577,448 -1.537,449 -1.886,451 -3.512,452 -1.453,453 -0.143,454 -1.586,455 1,456 -0.705,457 -1.618,458 -2.249,460 -4.372,461 -1.498,462 7.967,463 0.469,464 0.349,465 0.021,466 22.25,467 1.309,468 11.5,469 0.676,470 10.75,471 0.632,472 10.141,473 0.597,474 18.433,475 0.595,476 13.499,477 0.794,478 4.61,479 0.271,480 3.627,481 0.213,482 0.084,484 0.238,487 0.804,488 1.364,489 0.8,490 1.099,491 0.702,492 0.975,493 0.588,494 0.991,495 0.94,496 0.995,497 0.404,498 1.008,499 0.895,500 1.134,501 1.186,502 1.218,503 0.976,504 1.258,505 0.804,506 0.918,507 0.99,508 0.96,509 0.78,510 1.001,511 0.55,512 0.962,513 0.722,514 0.964,515 0.467,516 0.886,517 1.245,518 1.158,519 1.123,520 1.163,521 1.27,522 1.134,523 1.311,524 0.817,525 1.062,526 0.803,527 1.277,528 0.868,529 0.702,530 1.06,531 0.814,532 1.001,533 0.617,534 0.928,535 3.5,536 0.046,537 1.111,538 0.472,539 0.577,540 0.313,541 0.231,542 0.164,543 0.031,544 0.065,545 2577,546 8196,547 2.028,548 45.2,549 2,550 6,551 1,552 2,553 1,554 2,558 1.56,559 1.925,560 3.113,561 -0.256,563 1,564 1,565 1,567 48.171,568 1.554,569 3.433,570 4.115,571 4.374,572 4.503,573 4.503,574 2.514,575 3.499,576 4.054,577 3.276,578 445.472,579 6.815,580 4191.13,582 1,584 1,585 153.58,586 1.261,587 4.03,588 0.194,589 0.008,590 0.048,591 0.026,592 0.036,593 0.018,594 0.018,595 0.021,596 0.004,597 0.011,598 0.385,599 0.67,600 1,601 1.325,602 72.396,603 -0.072,604 -0.203,605 0.02,606 -0.041,607 -0.061,608 -0.007,609 0.155,610 0.142,611 -0.068,612 0.002,613 0.208,614 -0.054,615 -0.13,616 -0.163,617 -0.281,618 -0.198,619 -0.166,620 -0.261,621 -0.064,622 0.005,623 -0.029,624 0.019,625 -0.064,626 0.004,627 0.086,628 -0.036,629 0.227,630 0.035,631 0.141,632 0.14,633 -0.144,634 -0.22,635 -0.145,636 -0.198,637 -0.094,638 -0.177,639 -0.183,640 0.081,641 -0.018,642 0.107,643 -0.153,644 0.083,645 0.04,646 -0.117,647 0.162,648 -0.052,649 0.032,650 0.062,651 2.424,652 3.441,653 0.647,654 14.138,655 1.005,656 1.126,657 1.838,658 3.38,659 0.661,660 2.944,661 3.178,662 3.296,663 3.466,664 3.555,665 3.497,666 3.555,667 3.611,668 3.497,669 3.367,670 5.307,671 0.633,672 230.29,673 2.944,674 4.419,675 5.198,676 6.019,677 6.819,678 7.642,679 8.451,680 9.275,681 10.09,682 10.914,683 6.5,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 31,726 12,727 1,728 18,730 32,731 13,733 9,734 2,735 4,739 2,740 2,751 2,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,840 17,845 1,846 3,862 6.5,864 1,865 1,869 8.833,870 5.35,871 3.833,872 1.75,874 2.007,875 1.342,876 0.929,877 3.809,878 7.87,879 3.239,880 3.755,881 4.169,882 4.658,883 4.973,884 5.051,885 5.38,886 5.725,887 5.908,888 6.019,889 0.833,890 18,891 6.237,893 2.539,894 7.941,895 11.794,897 9.258,899 2.441,900 41.5,901 0.001,904 153.024,905 79.074,906 18.685,908 67.828,911 79.074,912 220.853,913 18.685,915 7.175,916 46.952,917 117.684,918 17.318,919 11.771,920 117.711,922 153.024,923 97.759,924 67.828,927 153.024,928 67.828,931 26.74,932 54.233,933 16.786,935 153.024,936 86.513,937 79.074,940 153.024,941 14.456,942 66.518,944 84.614,945 153.024,946 86.513,947 79.074,949 0.562,950 0.29,951 0.147,952 0.078,953 10,954 4,955 0.156,956 5,958 1,959 3.093,960 105.997,962 11,963 65.487,968 11.711,969 5.529,970 3.627,972 84.614,973 13.455,974 3.982,978 2.24,979 1.992,980 42.683,981 318.611,982 24.5,987 10.441,991 -0.757,994 31.16,995 34.907,996 0.314,997 0.693,998 0.831,999 0.883,1000 0.909,1001 0.909,1002 4.404,1003 0.618,1004 5.13,1005 1.431,1006 3.85,1007 4.437,1008 2.313,1009 5.784,1010 3.794,1011 5.569,1012 -0.039,1013 6.586,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.141,1020 6.824,1021 -0.667,1022 8.129,1023 -0.096,1024 5.293,1025 6.491,1026 3.632,1027 9.304,1028 5.186,1029 8.11,1030 -1,1031 9.722,1032 -1.706,1033 5.442,1034 6.827,1035 4.112,1036 10.632,1037 5.305,1038 9.42,1039 -1,1040 11.344,1041 -2,1042 6.956,1043 8.767,1044 5.202,1045 13.068,1046 6.8,1047 10.747,1048 -1.184,1049 12.987,1050 -3,1051 7.476,1052 9.485,1053 5.889,1054 14.74,1055 7.286,1056 12.085,1057 -1.537,1058 14.643,1059 -3.041,1060 8.732,1061 11.157,1062 6.849,1063 16.959,1064 8.529,1065 2.734,1066 -1.618,1067 16.309,1068 -3.512,1069 9.453,1070 12.089,1071 7.625,1072 18.804,1073 9.217,1074 2.5,1075 7.798,1076 17.982,1077 -4.372,1078 10.58,1079 13.614,1080 8.526,1081 20.925,1082 10.332,1083 2.213,1084 6.982,1085 19.66,1086 3.683,1087 11.415,1088 14.675,1089 9.342,1090 22.861,1091 11.138,1092 2,1093 5.918,1094 21.344,1095 3.437,1096 12.474,1097 16.114,1098 10.216,1099 24.937,1100 12.185,1101 1.175,1102 5.019,1103 23.031,1104 2.792,1105 13.376,1106 17.255,1107 11.051,1108 26.922,1109 13.06,1110 1,1111 2.579,1112 24.721,1113 2.62,1114 14.401,1115 18.642,1116 11.912,1117 28.977,1118 14.072,1119 0.645,1120 2.275,1121 26.414,1122 1.624,1123 15.341,1124 19.835,1125 12.755,1126 30.989,1127 14.99,1128 2615,1129 4722,1130 12.019,1131 20.489,1132 26.199,1133 26.197,1134 25.969,1135 25.762,1136 25.768,1137 34.646,1138 5.725,1139 66.746,1140 25.003,1141 4.91,1142 5.6,1143 5.235,1144 4.742,1145 4.734,1146 6.683,1147 3.925,1148 13.342,1149 4.683,1150 7.252,1151 1.455,1152 1.455,1153 1.443,1154 1.431,1155 1.432,1156 1.925,1157 0.318,1158 3.708,1159 1.389,1160 4.004,1161 4.052,1162 3.94,1163 3.913,1164 7.474,1165 3.911,1166 3.831,1167 3.882,1168 3.765,1169 3.652,1170 6.351,1171 3.677,1172 3.566,1173 3.592,1174 3.478,1175 3.385,1176 4.962,1177 3.395,1178 3.132,1179 3.173,1180 3.024,1181 2.945,1182 4.703,1183 2.958,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.903,1189 2.715,1190 2.827,1191 2.897,1192 2.63,1193 2.538,1194 3.674,1195 2.554,1196 2.485,1197 2.58,1198 2.277,1199 2.292,1200 3.598,1201 2.279,1202 2.386,1203 2.482,1204 2.199,1205 2.116,1206 3.34,1207 2.123,1208 0.227,1209 0.2,1210 0.312,1211 0.206,1212 0.152,1213 4.094,1214 0.205,1215 3.6,1216 0.13,1217 5.62,1218 0.433,1219 3.71,1220 0.149,1221 2.734,1222 3.683,1223 2.341,1224 7.798,1225 2.683,1226 1.951,1227 1.923,1228 2.073,1229 2.042,1230 1.27,1231 2.053,1232 1.594,1233 1.542,1234 1.791,1235 1.808,1236 1.045,1237 1.802,1238 1.429,1239 1.38,1240 1.616,1241 1.654,1242 0.738,1243 1.64,1244 1.289,1245 1.22,1246 1.465,1247 1.525,1248 0.437,1249 1.512,1250 0.96,1251 0.925,1252 1.185,1253 1.238,1254 0.25,1255 1.214,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.659,1263 0.587,1264 1.024,1265 0.981,1266 0.111,1267 1.008,1268 0.309,1269 0.209,1270 0.744,1271 0.678,1273 0.721,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.757,1281 6.26,1282 9.285,1289 8.59,1290 1.556,1300 19.633,1301 48.171,1302 106.419,1303 127.58,1304 135.58,1305 139.58,1306 139.58,1307 24.217,1308 5.864,1309 55.12,1310 55.12,1311 11,1312 11.494,1313 3.7,1314 2.907,1315 28.723,1316 55,1317 45,1318 0.267,1319 124.701,1320 210.68,1321 296.03,1322 2190,1324 12.088,1325 0.711,1326 0.554,1327 12.088,1328 9.413,1329 8.237,1330 0.458,1331 0.305,1332 5.418,1333 7.915,1334 5.301,1335 4.409,1336 8.237,1337 5.492,1338 7.244,1339 0.315,1340 0.172,1341 7.244,1342 3.945,1343 5.26,1344 0.202,1345 0.099,1346 5.26,1347 2.575,1348 4.042,1349 0.13,1350 0.053,1351 4.042,1352 1.654,1353 2.978,1354 0.088,1355 0.031,1356 2.978,1357 1.06,1358 0.425,1359 51.69,1360 0.288,1361 17.695,1362 0.711,1363 82,1364 261.175,1365 89.953,1366 252.819,1367 330.86,1368 234,1369 90,1370 228.596,1371 96.849,1372 233.143,1373 328.08,1374 217,1375 7.268} {0 CHEMBL542547,1 1.57,2 8.933,3 1.226,4 1.504,5 57.626,6 7.113,7 0.333,8 3.432,9 3.556,10 2.929,11 2.899,12 4.614,13 2.881,14 3.911,15 4.105,16 3.121,17 3.2,18 5.14,19 3.129,20 4.098,21 4.353,22 2.836,23 3.202,24 5.071,25 3.053,26 3.973,27 4.244,28 2.732,29 3.046,30 4.942,31 2.906,32 3.784,33 4.031,34 2.644,35 2.891,36 4.803,37 2.777,38 3.701,39 3.938,40 2.569,41 2.799,42 4.79,43 2.695,44 3.613,45 3.871,46 2.466,47 2.689,48 4.694,49 2.578,50 3.456,51 3.729,52 2.34,53 2.534,54 4.425,55 2.422,56 0.033,57 0.403,58 6.174,59 2.464,60 8.607,61 3.4,62 0.207,63 0.589,64 10.896,65 3.822,66 36.153,67 5.536,68 0.198,69 0.592,70 14.126,71 4.844,72 39.39,73 7.012,74 0.183,75 0.511,76 12.65,77 4.146,78 36.381,79 6.113,80 0.157,81 0.431,82 10.312,83 3.34,84 29.825,85 4.841,86 0.155,87 0.399,88 9.456,89 2.921,90 27.518,91 4.248,92 0.127,93 0.367,94 8.674,95 2.578,96 25.115,97 3.921,98 0.085,99 0.318,100 7.341,101 2.167,102 12.787,103 3.424,104 13,105 17,106 0.307,107 0.684,108 0.829,109 0.87,110 0.897,111 0.897,112 2.787,113 0.978,114 -2.6,115 -2.62,116 -2.55,118 37.9,120 4,133 1,135 1,139 1,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 8.817,277 10.925,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.678,286 10.504,287 3.241,288 7.742,289 3.288,290 1.366,291 0.621,292 0.414,293 0.276,294 0.276,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 13.968,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 134,327 3.985,328 3.596,329 5.352,330 3.458,331 2.542,332 3.583,333 2.341,334 6.997,335 2.329,336 3.551,337 2.894,338 4.659,339 3.241,340 2.235,341 2.714,342 1.554,343 5.184,344 2.222,345 3.361,346 2.386,347 3.822,348 2.779,349 1.784,350 2.656,351 0.386,352 3.61,353 1.772,354 2.688,355 1.734,356 3.509,357 2.366,358 1.395,359 1.706,361 2.888,362 1.35,363 2.464,364 1.377,365 3.162,366 2.031,367 1.072,368 1.403,370 2.232,371 1.022,372 2.118,373 1.021,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.861,382 0.62,383 2.652,384 1.511,385 0.526,386 0.644,388 1.09,389 0.515,390 1.276,391 0.618,392 2.131,393 0.85,394 -0.136,395 -0.165,397 -0.292,398 -0.133,399 0.594,400 0.259,401 1.605,402 0.224,403 -0.763,404 -0.897,406 -1.699,407 -0.73,408 0.325,409 -0.208,410 1.059,411 -0.015,412 -1,413 -1.298,415 -2,416 -0.972,417 0.108,418 -0.866,419 1,420 -0.294,421 -1.253,422 -1.53,424 -2.746,425 -1.221,426 -0.118,427 -1.038,428 1,429 -0.61,430 -1.583,431 -1.924,432 -0.386,433 -3.358,434 -1.472,435 -0.347,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.427,441 -0.757,442 -4.156,443 -1.546,444 -0.517,445 -1.696,446 0.37,447 -0.865,448 -1.838,449 -2.457,450 -1.554,451 -4.372,452 -1.773,453 -0.848,454 -1.759,455 0.133,456 -1.024,457 -1.982,458 -2.933,459 -1.584,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 16.75,467 1.117,468 7.5,469 0.5,470 9.25,471 0.617,472 9.683,473 0.646,474 17.033,475 0.587,476 9.497,477 0.633,478 3.435,479 0.229,480 3.853,481 0.257,482 0.096,484 0.129,487 0.828,488 1.548,489 0.86,490 1.246,491 0.705,492 1.089,493 0.564,494 1.157,495 0.997,496 1.168,497 0.411,498 1.151,499 0.891,500 0.972,501 1.044,502 1.053,503 0.982,504 1.084,505 0.863,506 0.862,507 0.91,508 0.901,509 0.928,510 0.918,511 1.053,512 0.936,513 1.007,514 0.956,515 1.124,516 0.977,517 1.212,518 0.994,519 1.127,520 1.007,521 1.196,522 1.046,523 0.994,524 0.984,525 1.026,526 0.976,527 0.809,528 0.991,529 0.714,530 1.026,531 0.89,532 0.989,533 0.511,534 0.954,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6510,547 1.925,548 48.3,549 6,550 1,551 2,552 2,553 1,554 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 45.525,568 1.57,569 3.492,570 4.237,571 4.444,572 4.582,573 4.582,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 140.881,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.075,604 -0.306,605 0.005,606 -0.11,607 -0.041,608 -0.054,609 0.187,610 -0.018,611 -0.096,612 -0.141,613 0.233,614 -0.163,615 -0.089,616 -0.062,617 -0.106,618 -0.056,619 -0.117,620 -0.083,621 -0.054,622 0.022,623 0.046,624 0.073,625 -0.085,626 0.077,627 -0.122,628 -0.015,629 -0.046,630 0.021,631 -0.16,632 0.003,633 -0.188,634 -0.045,635 -0.157,636 -0.048,637 -0.151,638 -0.089,639 -0.115,640 -0.031,641 -0.062,642 -0.042,643 0.021,644 -0.036,645 -0.012,646 -0.063,647 0.058,648 -0.063,649 0.069,650 0.011,651 2.395,652 3.201,653 0.333,654 11.271,655 1.006,656 1.135,657 1.368,658 1.872,659 0.638,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.608,672 206.27,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.9,691 1,693 1,699 3,700 1,705 1,706 5,724 29,726 8,728 15,730 29,731 11,732 1,733 3,736 1,739 1,740 1,751 4,752 1,753 6,754 4,756 3,758 1,761 1,763 2,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 1,830 1,832 1,840 15,845 1,846 4,862 6.9,864 1,865 1,869 8.167,870 4.933,871 3.583,872 1.744,874 1.912,875 1.372,876 0.879,877 5.346,878 7.054,879 3.068,880 3.474,881 3.793,882 4.235,883 4.229,884 4.514,885 4.723,886 4.741,887 4.705,888 4.808,889 0.833,890 12,891 5.482,892 -0.001,893 2.104,894 8.044,895 10.279,897 7.53,898 -0.001,899 2.544,900 38.167,901 0.002,904 153.024,905 72.703,906 18.685,908 67.828,911 72.703,912 220.853,913 18.685,915 19.186,916 18.524,917 117.684,918 10.947,919 39.96,920 105.94,922 153.024,923 91.388,924 67.828,927 153.024,928 67.828,931 29.703,932 19.005,933 42.68,935 153.024,936 86.513,937 72.703,940 153.024,941 11.048,942 47.136,943 16.418,944 84.614,945 153.024,946 86.513,947 72.703,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.207,956 6,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.606,969 6.909,970 5.763,972 84.614,973 5.21,974 3.882,979 1.799,980 42.683,981 312.24,982 20.5,984 3.001,987 10.201,989 3.687,991 -0.729,994 29.16,995 32.907,996 0.323,997 0.719,998 0.872,999 0.915,1000 0.943,1001 0.943,1002 4.178,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.151,1008 2.687,1009 5.252,1010 3.479,1011 5.293,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.499,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 6.111,1026 3.899,1027 8.47,1028 4.674,1029 7.74,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.134,1035 4.112,1036 9.649,1037 4.411,1038 9.01,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.301,1044 5.346,1045 12.016,1046 6.068,1047 10.301,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.798,1053 5.889,1054 13.616,1055 6.224,1056 11.606,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.619,1062 6.918,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.4,1071 7.625,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 13.019,1080 8.558,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.583,1087 10.412,1088 13.979,1089 9.342,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.714,1096 11.465,1097 15.475,1098 10.23,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 2.656,1105 12.261,1106 16.548,1107 11.051,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.706,1114 13.26,1115 17.967,1116 11.918,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.403,1123 14.107,1124 19.112,1125 12.755,1126 29.19,1127 13.036,1128 2036,1129 3815,1130 9.822,1131 18.489,1132 20.922,1133 20.683,1134 20.581,1135 20.346,1136 20.347,1137 27.264,1138 8.562,1139 46.746,1140 19.576,1141 4.833,1142 5.354,1143 5.22,1144 4.482,1145 4.524,1146 6.516,1147 3.925,1148 11.747,1149 4.268,1150 6.767,1151 1.395,1152 1.379,1153 1.372,1154 1.356,1155 1.356,1156 1.818,1157 0.571,1158 3.116,1159 1.305,1160 3.936,1161 3.998,1162 3.882,1163 3.763,1164 7.474,1165 3.781,1166 3.743,1167 3.796,1168 3.619,1169 3.591,1170 6.351,1171 3.592,1172 3.508,1173 3.541,1174 3.419,1175 3.356,1176 5.002,1177 3.362,1178 3.19,1179 3.227,1180 3.07,1181 2.983,1182 4.577,1183 2.997,1184 2.802,1185 2.874,1186 2.601,1187 2.527,1188 3.994,1189 2.539,1190 2.497,1191 2.594,1192 2.277,1193 2.298,1194 3.565,1195 2.283,1196 2.402,1197 2.515,1198 2.177,1199 2.083,1200 3.346,1201 2.09,1202 2.174,1203 2.307,1204 1.872,1205 1.817,1206 3.197,1207 1.811,1208 0.266,1209 0.24,1210 0.357,1211 0.231,1212 0.169,1213 3.985,1214 0.239,1215 3.596,1216 0.156,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.583,1223 2.341,1224 6.997,1225 2.329,1226 1.789,1227 1.741,1228 1.996,1229 1.939,1230 1.305,1231 1.957,1232 1.613,1233 1.563,1234 1.776,1235 1.813,1236 0.888,1237 1.802,1238 1.37,1239 1.318,1240 1.583,1241 1.596,1242 0.704,1243 1.59,1244 1.28,1245 1.213,1246 1.462,1247 1.524,1248 0.408,1249 1.51,1250 1.029,1251 0.982,1252 1.264,1253 1.289,1254 0.307,1255 1.279,1256 0.671,1257 0.604,1258 1.016,1259 0.997,1260 0.058,1261 1.01,1262 0.325,1263 0.213,1264 0.797,1265 0.719,1267 0.767,1268 0.071,1270 0.666,1271 0.491,1273 0.56,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.399,1290 2.715,1300 17.633,1301 45.525,1302 101.272,1303 122.881,1304 128.881,1305 132.881,1306 132.881,1307 25.09,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3.17,1314 2.7,1315 31.761,1316 51,1317 38,1318 0.299,1319 115.837,1320 201.98,1321 274.402,1322 894,1324 10.933,1325 0.729,1326 0.564,1327 10.933,1328 8.465,1329 7.288,1330 0.486,1331 0.326,1332 4.819,1333 6.962,1334 4.734,1335 3.985,1336 7.288,1337 4.891,1338 5.889,1339 0.346,1340 0.185,1341 5.889,1342 3.149,1343 3.869,1344 0.228,1345 0.109,1346 3.869,1347 1.855,1348 2.815,1349 0.156,1350 0.061,1351 2.815,1352 1.091,1353 1.559,1354 0.111,1355 0.038,1356 1.559,1357 0.535,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 231.175,1365 71.953,1366 221.538,1367 283.12,1368 204,1369 66,1370 189.948,1371 72.682,1372 191.748,1373 264.97,1374 178,1375 7.377} {0 CHEMBL542548,1 1.52,2 9.333,3 2.058,4 4.236,5 69.032,6 7.186,7 0.579,8 3.606,9 3.724,10 3.13,11 3.132,12 4.745,13 3.107,14 4.109,15 4.288,16 3.402,17 3.494,18 5.282,19 3.429,20 4.331,21 4.552,22 3.23,23 3.571,24 5.274,25 3.437,26 4.359,27 4.626,28 3.129,29 3.49,30 5.24,31 3.34,32 4.201,33 4.453,34 3.097,35 3.383,36 5.166,37 3.256,38 4.057,39 4.302,40 3.015,41 3.238,42 5.096,43 3.119,44 3.922,45 4.178,46 2.769,47 2.936,48 5.033,49 2.84,50 3.597,51 3.836,52 2.467,53 2.67,54 4.628,55 2.571,56 0.022,57 0.479,58 7.142,59 3.096,60 7.85,61 4.104,62 0.206,63 0.752,64 12.853,65 4.953,66 34.174,67 6.871,68 0.159,69 0.839,70 16.968,71 6.644,72 34.486,73 9.188,74 0.197,75 0.826,76 18.316,77 6.528,78 36.401,79 9.435,80 0.164,81 0.713,82 15.434,83 5.645,84 30.361,85 8.009,86 0.073,87 0.627,88 13.018,89 4.881,90 19.895,91 6.996,92 0.168,93 0.498,94 12.127,95 3.707,96 31.392,97 5.255,98 0.127,99 0.365,100 8.586,101 2.7,102 22.201,103 3.766,104 9,105 24,106 0.283,107 0.642,108 0.793,109 0.837,110 0.859,111 0.859,112 2.958,113 0.946,114 -3.33,115 -3.32,116 -3.18,118 41.2,120 3,124 1,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 2,175 1,177 1,180 10,181 1,186 3,191 1,194 8,195 1,198 4,203 1,206 5,207 1,210 4,215 1,218 3,219 2,222 5,227 2,229 1,230 2,234 4,239 2,243 1,247 3,252 1,259 1,260 1,270 338,271 12.137,272 12.137,273 12.137,274 12.137,275 12.137,276 10.585,277 15.162,278 7.55,279 12.319,280 9.416,281 9.416,282 9.416,283 9.416,284 9.416,285 7.156,286 18.392,287 3.654,288 9.699,289 3.568,290 1.637,291 0.824,292 0.588,293 0.471,294 0.471,295 3.617,299 1,300 1,301 348,302 2.915,305 56.419,306 62.87,313 1.889,314 14.566,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 168,327 4.093,328 3.596,329 5.62,330 3.707,331 2.732,332 3.682,333 2.341,334 7.796,335 2.68,336 3.875,337 2.944,338 5.336,339 3.445,340 2.489,341 3.436,342 0.522,343 6.961,344 2.374,345 3.554,346 2.665,347 4.963,348 3.224,349 2.225,350 2.756,352 5.894,353 2.195,354 3.421,355 2.25,356 4.647,357 3.043,358 2.059,359 2.68,361 5.148,362 2.013,363 2.593,364 1.4,365 3.448,366 2.152,367 1.2,368 1.628,370 2.608,371 1.14,372 2.5,373 1.227,374 3.414,375 2.031,376 1.057,377 1.5,379 2.275,380 1.022,381 2.239,382 1,383 3.263,384 2,385 1,386 1.19,388 2.26,389 1,390 2.118,391 0.683,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.406,400 0.618,401 2.686,402 1.144,403 0.155,404 0.183,406 0.365,407 0.152,408 0.925,409 0.352,410 2.304,411 0.681,412 -0.302,413 -0.347,415 -0.749,416 -0.292,417 0.551,418 -0.029,419 2,420 0.168,421 -0.812,422 -0.975,424 -1.93,425 -0.778,426 0.5,427 -0.536,428 1.618,430 -1,431 -1.332,433 -2,434 -0.975,435 0.357,436 -0.994,437 1.349,438 -0.016,439 -1,440 -1.5,442 -3,443 -1,444 -0.097,445 -1,446 1,447 -0.393,448 -1.367,449 -1.64,451 -3.339,452 -1.345,453 -0.118,454 -1.386,455 1,456 -0.603,457 -1.568,458 -1.913,460 -3.767,461 -1.471,462 8.467,463 0.47,464 0.349,465 0.019,466 22.75,467 1.264,468 11.5,469 0.639,470 11.25,471 0.625,472 11.616,473 0.645,474 19.733,475 0.58,476 13.799,477 0.767,478 4.61,479 0.256,480 4.127,481 0.229,482 0.079,484 0.224,487 0.799,488 1.374,489 0.832,490 1.127,491 0.695,492 1.009,493 0.579,494 1.029,495 0.964,496 1.038,497 0.395,498 1.045,499 0.857,500 1.114,501 1.141,502 1.185,503 0.93,504 1.215,505 0.774,506 0.92,507 0.968,508 0.959,509 0.763,510 0.99,511 0.824,512 0.916,513 0.92,514 0.928,515 0.837,516 0.943,517 0.616,518 1.151,519 0.884,520 1.165,521 0.562,522 1.082,523 1.39,524 0.901,525 1.018,526 0.897,527 1.338,528 0.894,529 1.474,530 0.987,531 1.134,532 0.959,533 1.51,534 0.99,535 3.5,536 0.053,537 1.111,538 0.597,539 0.417,540 0.313,541 0.292,542 0.136,543 0.097,544 0.025,545 3112,546 9491,547 2.026,548 47.1,549 4,550 6,551 1,552 2,553 1,554 2,558 1.577,559 1.929,560 3.217,561 -0.28,563 1,564 1,565 1,567 51.671,568 1.52,569 3.451,570 4.264,571 4.499,572 4.617,573 4.617,574 2.753,575 2.753,576 4.135,577 3.403,578 520.618,579 6.975,580 5196.18,581 1,582 1,584 1,585 172.974,586 1.224,587 4.116,588 0.184,589 0.009,590 0.046,591 0.031,592 0.025,593 0.018,594 0.019,595 0.012,596 0.012,597 0.004,598 0.361,599 0.67,600 1,601 1.511,602 79.064,603 -0.061,604 -0.191,605 0.023,606 -0.039,607 -0.046,608 -0.007,609 0.161,610 0.108,611 -0.069,612 -0.022,613 0.214,614 -0.069,615 -0.106,616 -0.141,617 -0.223,618 -0.162,619 -0.136,620 -0.208,621 -0.049,622 0.005,623 -0.014,624 0.02,625 -0.063,626 0.011,627 -0.051,628 0.018,629 0.031,630 0.067,631 -0.056,632 0.062,633 0.056,634 -0.198,635 0.05,636 -0.167,637 0.1,638 -0.074,639 -0.145,640 0.006,641 0.014,642 0.02,643 -0.049,644 0.044,645 -0.208,646 -0.064,647 -0.115,648 -0.025,649 -0.193,650 -0.052,651 2.397,652 3.413,653 0.611,654 16.42,655 1.001,656 1.127,657 2.102,658 4.418,659 0.654,660 2.996,661 3.219,662 3.332,663 3.497,664 3.555,665 3.555,666 3.611,667 3.611,668 3.611,669 3.497,670 5.741,671 0.622,672 244.32,673 2.996,674 4.466,675 5.242,676 6.057,677 6.851,678 7.671,679 8.474,680 9.296,681 10.106,682 10.929,683 5.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 34,726 12,727 1,728 19,730 35,731 14,733 9,734 2,735 4,739 2,740 2,751 3,753 10,754 4,756 1,761 1,765 1,769 1,772 16,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,840 18,845 1,846 4,862 5.9,864 1,865 1,869 9.333,870 5.85,871 4.083,872 2,874 1.989,875 1.334,876 0.927,877 4.4,878 7.953,879 3.277,880 3.778,881 4.184,882 4.668,883 4.952,884 5.051,885 5.38,886 5.68,887 5.926,888 6.079,889 1,890 19,891 6.614,893 2.68,894 7.889,895 12.61,897 9.924,899 2.389,900 43,901 0.001,904 176.567,905 81.609,906 18.685,908 67.828,911 81.609,912 244.395,913 18.685,915 9.709,916 46.952,917 117.684,918 17.318,919 11.771,920 141.253,922 176.567,923 100.293,924 67.828,927 176.567,928 67.828,931 29.274,932 54.233,933 16.786,935 176.567,936 86.513,937 81.609,940 176.567,941 16.99,942 66.518,944 84.614,945 176.567,946 86.513,947 81.609,949 0.558,950 0.287,951 0.145,952 0.071,953 10,954 4,955 0.171,956 6,958 1,959 3.225,960 113.351,962 11,963 71.059,968 12.685,969 6.243,970 4.211,972 84.614,973 13.774,974 4,978 2.403,979 2.013,980 42.683,981 344.688,982 25.5,987 10.413,991 -0.73,994 34.043,995 38.322,996 0.299,997 0.678,998 0.838,999 0.884,1000 0.908,1001 0.908,1002 4.44,1003 0.618,1004 5.165,1005 2.26,1006 3.892,1007 4.46,1008 2.313,1009 5.808,1010 3.838,1011 5.595,1012 0.155,1013 6.613,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.141,1020 6.844,1021 -0.302,1022 8.15,1023 0.365,1024 5.323,1025 6.5,1026 3.632,1027 9.312,1028 5.219,1029 8.125,1030 -0.812,1031 9.737,1032 -0.749,1033 5.442,1034 6.827,1035 4.112,1036 10.632,1037 5.305,1038 9.431,1039 -1,1040 11.355,1041 -1.93,1042 6.974,1043 8.77,1044 5.202,1045 13.067,1046 6.822,1047 10.755,1048 -1,1049 12.994,1050 -2,1051 7.476,1052 9.485,1053 5.889,1054 14.737,1055 7.286,1056 12.092,1057 -1.367,1058 14.648,1059 -3,1060 8.742,1061 11.158,1062 6.849,1063 16.953,1064 8.542,1065 2.732,1066 -1.568,1067 16.312,1068 -3.339,1069 9.451,1070 12.088,1071 7.625,1072 18.798,1073 9.214,1074 2.489,1075 7.796,1076 17.983,1077 -3.767,1078 10.582,1079 13.613,1080 8.526,1081 20.916,1082 10.335,1083 2.225,1084 6.961,1085 19.66,1086 3.682,1087 11.408,1088 14.673,1089 9.342,1090 22.853,1091 11.129,1092 2.059,1093 5.894,1094 21.342,1095 3.436,1096 12.47,1097 16.113,1098 10.216,1099 24.927,1100 12.179,1101 1.2,1102 5.148,1103 23.028,1104 2.756,1105 13.365,1106 17.253,1107 11.051,1108 26.913,1109 13.046,1110 1.057,1111 2.608,1112 24.717,1113 2.68,1114 14.39,1115 18.64,1116 11.912,1117 28.967,1118 14.059,1119 1,1120 2.275,1121 26.409,1122 1.628,1123 15.326,1124 19.832,1125 12.755,1126 30.979,1127 14.97,1128 3148,1129 5557,1130 12.712,1131 22.25,1132 27.439,1133 27.469,1134 27.28,1135 27.074,1136 27.071,1137 35.963,1138 5.725,1139 69.359,1140 26.304,1141 4.948,1142 5.596,1143 5.235,1144 4.74,1145 4.732,1146 6.682,1147 3.925,1148 13.337,1149 4.68,1150 7.655,1151 1.444,1152 1.446,1153 1.436,1154 1.425,1155 1.425,1156 1.893,1157 0.301,1158 3.65,1159 1.384,1160 4.005,1161 4.053,1162 3.94,1163 3.915,1164 7.474,1165 3.912,1166 3.834,1167 3.887,1168 3.765,1169 3.655,1170 6.351,1171 3.679,1172 3.633,1173 3.669,1174 3.531,1175 3.471,1176 4.962,1177 3.473,1178 3.246,1179 3.28,1180 3.133,1181 3.056,1182 4.705,1183 3.067,1184 2.958,1185 3.025,1186 2.79,1187 2.735,1188 3.978,1189 2.73,1190 2.854,1191 2.925,1192 2.687,1193 2.719,1194 3.701,1195 2.715,1196 2.593,1197 2.678,1198 2.384,1199 2.349,1200 3.674,1201 2.346,1202 2.467,1203 2.569,1204 2.252,1205 2.234,1206 3.376,1207 2.228,1208 0.215,1209 0.189,1210 0.296,1211 0.195,1212 0.144,1213 4.093,1214 0.194,1215 3.596,1216 0.123,1217 5.62,1218 0.41,1219 3.707,1220 0.141,1221 2.732,1222 3.682,1223 2.341,1224 7.796,1225 2.68,1226 1.954,1227 1.924,1228 2.081,1229 2.044,1230 1.31,1231 2.058,1232 1.645,1233 1.594,1234 1.861,1235 1.843,1236 1.118,1237 1.847,1238 1.482,1239 1.424,1240 1.658,1241 1.701,1242 0.816,1243 1.69,1244 1.295,1245 1.228,1246 1.474,1247 1.525,1248 0.531,1249 1.514,1250 1.113,1251 1.071,1252 1.349,1253 1.388,1254 0.402,1255 1.369,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.792,1263 0.733,1264 1.107,1265 1.057,1266 0.186,1267 1.076,1268 0.478,1269 0.385,1270 0.886,1271 0.86,1273 0.89,1274 3.664,1276 4.905,1277 2.398,1278 6.308,1279 4.443,1280 7.786,1281 6.26,1282 9.307,1289 8.571,1290 2.556,1300 21.16,1301 51.671,1302 117.322,1303 144.974,1304 152.974,1305 156.974,1306 156.974,1307 26.997,1308 5.964,1309 55.12,1310 55.12,1311 11,1312 11.511,1313 3.7,1314 2.907,1315 31.351,1316 64,1317 52,1318 0.252,1319 134.293,1320 227.98,1321 319.435,1322 2558,1324 12.795,1325 0.711,1326 0.562,1327 12.795,1328 10.12,1329 8.737,1330 0.46,1331 0.315,1332 5.918,1333 8.415,1334 5.791,1335 4.825,1336 8.737,1337 5.992,1338 7.598,1339 0.317,1340 0.179,1341 7.598,1342 4.299,1343 5.502,1344 0.204,1345 0.104,1346 5.502,1347 2.803,1348 4.288,1349 0.134,1350 0.058,1351 4.288,1352 1.846,1353 2.947,1354 0.087,1355 0.034,1356 2.947,1357 1.149,1358 0.405,1359 54.69,1360 0.28,1361 18.792,1362 0.658,1363 86,1364 265.175,1365 93.953,1366 256.98,1367 336.62,1368 238,1369 94,1370 232.596,1371 100.849,1372 237.303,1373 333.8,1374 221,1375 5.921} {0 CHEMBL542549,1 1.578,2 8.588,3 1.579,4 2.493,5 65.599,6 7.871,7 0.611,8 3.468,9 3.573,10 3.07,11 3.015,12 4.711,13 3.011,14 3.906,15 4.056,16 3.344,17 3.347,18 5.249,19 3.315,20 4.074,21 4.264,22 3.15,23 3.407,24 5.146,25 3.3,26 4.109,27 4.361,28 3.04,29 3.31,30 5.071,31 3.188,32 3.94,33 4.17,34 3.078,35 3.19,36 5.063,37 3.111,38 3.853,39 4.053,40 2.901,41 3.013,42 5.112,43 2.943,44 3.624,45 3.879,46 2.463,47 2.653,48 4.704,49 2.556,50 3.132,51 3.366,52 2.283,53 2.333,54 4.167,55 2.269,56 0.043,57 0.407,58 5.206,59 2.479,60 7.849,61 2.994,62 0.212,63 0.627,64 9.039,65 3.705,66 28.651,67 4.7,68 0.135,69 0.68,70 11.691,71 5.091,72 23.433,73 6.605,74 0.179,75 0.683,76 13.863,77 5.168,78 27.801,79 7.204,80 0.11,81 0.577,82 11.216,83 4.384,84 15.583,85 6.016,86 0.164,87 0.508,88 10.2,89 3.713,90 28.142,91 4.68,92 0.179,93 0.388,94 9.146,95 2.86,96 29.971,97 3.825,98 0.052,99 0.25,100 5,101 1.808,102 9.628,103 2.512,104 8,105 23,106 0.302,107 0.662,108 0.824,109 0.863,110 0.863,111 0.863,112 2.905,113 0.866,114 -2.99,115 -2.99,116 -2.88,118 44.8,124 1,133 2,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 3,191 1,194 7,195 1,198 4,203 1,206 3,207 2,210 5,215 2,218 1,219 2,222 5,227 2,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 295,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.773,277 10.659,278 7.063,279 11.612,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 6.461,286 15.208,287 3.424,288 9.199,289 3.28,290 1.398,291 0.552,292 0.345,293 0.345,294 0.345,295 3.561,299 1,300 1,301 303,302 2.739,305 51.956,306 57.97,313 1.73,314 13.658,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37,326 146,327 4.109,328 3.474,329 5.62,330 3.71,331 2.734,332 3.71,333 1.437,334 7.798,335 2.683,336 3.906,337 2.924,338 5.344,339 3.458,340 2.5,341 3.456,342 0.522,343 6.982,344 2.39,345 3.65,346 2.511,347 4.971,348 3.202,349 2.213,350 2.969,352 5.918,353 2.161,354 3.382,355 2.17,356 4.6,357 2.991,358 2,359 2.628,361 5.019,362 1.967,363 2.599,364 1.256,365 3.434,366 2.1,367 1.175,368 1.63,370 2.579,371 1.085,372 2.5,373 1,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.361,382 0.949,383 3,384 1.644,385 0.645,386 1.005,388 1.431,389 0.639,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.307,400 0.448,401 2.601,402 0.94,403 -0.039,404 -0.051,406 -0.096,407 -0.038,408 0.655,409 0.157,410 2,411 0.307,412 -0.667,413 -0.805,415 -1.706,416 -0.638,417 0.5,418 -0.538,419 1.912,420 0.003,421 -1,422 -1.309,424 -2,425 -0.956,426 0.481,427 -1,428 1.483,430 -1,431 -1.5,433 -3,434 -1,435 -0.004,436 -1.004,437 1,438 -0.221,439 -1.184,440 -1.55,442 -3.041,443 -1.187,444 -0.118,445 -1.372,446 1,447 -0.577,448 -1.537,449 -2.041,451 -3.512,452 -1.453,453 -0.137,454 -1.618,455 1,456 -0.705,457 -1.618,458 -2.427,460 -4.372,461 -1.498,462 7.967,463 0.469,464 0.349,465 0.021,466 23.75,467 1.397,468 13,469 0.765,470 10.75,471 0.632,472 8.781,473 0.517,474 17.833,475 0.615,476 14.859,477 0.874,478 5.106,479 0.3,480 3.131,481 0.184,482 0.084,484 0.238,487 0.812,488 1.299,489 0.754,490 1.025,491 0.73,492 0.906,493 0.623,494 0.94,495 0.932,496 0.935,497 0.384,498 0.962,499 0.745,500 1.155,501 1.166,502 1.252,503 0.762,504 1.29,505 0.65,506 0.911,507 0.939,508 0.956,509 0.598,510 0.991,511 0.601,512 0.98,513 0.748,514 0.985,515 0.516,516 0.908,517 1.295,518 1.148,519 1.167,520 1.166,521 1.333,522 1.153,523 1.333,524 0.827,525 1.085,526 0.819,527 1.359,528 0.888,529 0.713,530 1.095,531 0.753,532 1.014,533 0.686,534 0.906,535 3.5,536 0.046,537 1.111,538 0.472,539 0.577,540 0.313,541 0.231,542 0.164,543 0.031,544 0.065,545 2577,546 8701,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.56,559 1.925,560 3.113,561 -0.256,563 1,564 1,565 1,567 45.756,568 1.578,569 3.46,570 4.306,571 4.513,572 4.513,573 4.513,574 2.514,575 3.499,576 4.054,577 3.276,578 445.472,579 6.815,580 4191.13,582 1,584 1,585 140.881,586 1.261,587 4.03,588 0.194,589 0.008,590 0.048,591 0.026,592 0.036,593 0.018,594 0.018,595 0.021,596 0.004,597 0.011,598 0.385,599 0.67,600 1,601 1.325,602 72.396,603 -0.085,604 -0.198,605 0.014,606 -0.036,607 -0.101,608 -0.005,609 0.141,610 0.182,611 -0.104,612 0.013,613 0.244,614 -0.065,615 -0.092,616 -0.193,617 -0.29,618 -0.247,619 -0.089,620 -0.3,621 -0.014,622 0.018,623 0.037,624 0.033,625 -0.013,626 0.045,627 0.067,628 -0.049,629 0.212,630 0.014,631 0.129,632 0.122,633 -0.174,634 -0.221,635 -0.181,636 -0.206,637 -0.142,638 -0.198,639 -0.192,640 0.072,641 -0.004,642 0.126,643 -0.191,644 0.105,645 0.06,646 -0.158,647 0.242,648 -0.044,649 0.037,650 0.106,651 2.604,652 3.354,653 0.647,654 14.138,655 1.01,656 1.12,657 1.759,658 3.093,659 0.68,660 2.944,661 3.178,662 3.296,663 3.466,664 3.555,665 3.497,666 3.555,667 3.611,668 3.497,669 3.367,670 5.307,671 0.659,672 228.27,673 2.944,674 4.419,675 5.198,676 6.019,677 6.819,678 7.642,679 8.451,680 9.275,681 10.09,682 10.914,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 29,726 13,727 1,728 18,730 30,731 13,733 9,734 2,735 4,736 3,739 2,740 2,753 12,754 1,756 2,761 1,763 2,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,822 2,830 1,832 2,840 17,845 1,846 1,862 6.9,864 1,865 1,869 8.833,870 5.017,871 3.833,872 1.528,874 2.357,875 1.402,876 0.935,877 3.604,878 8.221,879 3.277,880 3.801,881 4.271,882 4.753,883 5.104,884 5.265,885 5.621,886 5.99,887 6.183,888 6.306,889 0.833,890 18,891 6.202,893 2.513,894 8,895 11.575,897 8.922,899 2.5,900 42.5,901 0.001,904 129.482,905 92.958,906 18.685,908 67.828,911 92.958,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 17.318,919 11.771,920 94.169,922 129.482,923 111.642,924 67.828,927 129.482,928 67.828,931 21.671,932 54.233,933 35.738,935 129.482,936 86.513,937 92.958,940 129.482,941 9.387,942 85.47,944 84.614,945 129.482,946 86.513,947 92.958,949 0.562,950 0.29,951 0.147,952 0.078,953 10,954 4,955 0.133,956 4,958 1,959 3.093,960 105.997,962 11,963 62.732,968 11.459,969 5.347,970 3.486,972 84.614,973 13.14,974 3.971,978 2.025,979 1.974,980 42.683,981 308.953,982 25.5,987 10.354,989 2.703,991 -0.938,994 29.276,995 32.491,996 0.325,997 0.712,998 0.886,999 0.929,1000 0.929,1001 0.929,1002 4.44,1003 0.618,1004 5.13,1005 1.431,1006 3.85,1007 4.483,1008 1.736,1009 5.784,1010 3.794,1011 5.617,1012 -0.039,1013 6.586,1014 1.372,1015 3.219,1016 3.98,1018 6.326,1019 3.141,1020 6.874,1021 -0.667,1022 8.129,1023 -0.096,1024 5.293,1025 6.561,1026 2.269,1027 9.304,1028 5.186,1029 8.163,1030 -1,1031 9.722,1032 -1.706,1033 5.442,1034 6.872,1036 10.632,1037 5.305,1038 9.476,1039 -1,1040 11.344,1041 -2,1042 6.956,1043 8.85,1044 2.925,1045 13.068,1046 6.8,1047 10.807,1048 -1.184,1049 12.987,1050 -3,1051 7.476,1052 9.557,1054 14.74,1055 7.286,1056 12.149,1057 -1.537,1058 14.643,1059 -3.041,1060 8.732,1061 11.246,1062 3.619,1063 16.959,1064 8.529,1065 2.734,1066 -1.618,1067 16.309,1068 -3.512,1069 9.453,1070 12.177,1072 18.804,1073 9.217,1074 2.5,1075 7.798,1076 17.982,1077 -4.372,1078 10.58,1079 13.709,1080 4.33,1081 20.925,1082 10.332,1083 2.213,1084 6.982,1085 19.66,1086 3.71,1087 11.415,1088 14.774,1090 22.861,1091 11.138,1092 2,1093 5.918,1094 21.344,1095 3.456,1096 12.474,1097 16.216,1098 5.047,1099 24.937,1100 12.185,1101 1.175,1102 5.019,1103 23.031,1104 2.969,1105 13.376,1106 17.365,1108 26.922,1109 13.06,1110 1,1111 2.579,1112 24.721,1113 2.628,1114 14.401,1115 18.752,1116 5.769,1117 28.977,1118 14.072,1119 0.645,1120 2.275,1121 26.414,1122 1.63,1123 15.341,1124 19.954,1126 30.989,1127 14.99,1128 2615,1129 4874,1130 12.019,1131 19.727,1132 26.584,1133 26.359,1134 25.969,1135 25.762,1136 25.768,1137 35.649,1138 3.916,1139 66.746,1140 25.003,1141 4.877,1142 5.474,1143 5.235,1144 4.742,1145 4.734,1146 6.71,1147 2.873,1148 13.342,1149 4.683,1150 7.252,1151 1.477,1152 1.464,1153 1.443,1154 1.431,1155 1.432,1156 1.98,1157 0.218,1158 3.708,1159 1.389,1160 4.003,1161 4.049,1162 3.943,1163 3.914,1164 7.476,1165 3.913,1166 3.829,1167 3.877,1168 3.771,1169 3.655,1170 6.351,1171 3.68,1172 3.543,1173 3.553,1174 3.483,1175 3.384,1176 4.963,1177 3.399,1178 3.096,1179 3.138,1180 2.997,1181 2.906,1182 4.733,1183 2.921,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.128,1189 2.715,1190 2.775,1191 2.829,1192 2.611,1193 2.484,1194 3.675,1195 2.513,1196 2.479,1197 2.575,1198 2.272,1199 2.284,1200 3.674,1201 2.273,1202 2.336,1203 2.425,1204 2.174,1205 2.088,1206 3.345,1207 2.096,1208 0.228,1209 0.193,1210 0.312,1211 0.206,1212 0.152,1213 4.109,1214 0.206,1215 3.474,1216 0.08,1217 5.62,1218 0.433,1219 3.71,1220 0.149,1221 2.734,1222 3.71,1223 1.437,1224 7.798,1225 2.683,1226 1.948,1227 1.922,1228 2.058,1229 2.033,1230 1.202,1231 2.043,1232 1.578,1233 1.534,1234 1.731,1235 1.781,1236 0.867,1237 1.766,1238 1.403,1239 1.363,1240 1.563,1241 1.618,1242 0.571,1243 1.592,1244 1.286,1245 1.217,1246 1.458,1247 1.524,1248 0.412,1249 1.51,1250 0.905,1251 0.873,1252 1.181,1253 1.165,1254 0.218,1255 1.148,1256 0.886,1257 0.821,1258 1.139,1259 1.062,1260 0.19,1261 1.107,1262 0.594,1263 0.536,1264 0.911,1265 0.937,1267 0.955,1268 0.261,1269 0.163,1270 0.692,1271 0.568,1273 0.617,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.757,1281 6.26,1282 9.285,1289 8.503,1290 0.767,1300 19.106,1301 45.756,1302 100.352,1303 124.881,1304 130.881,1305 130.881,1306 130.881,1307 21.553,1308 5.864,1309 55.12,1310 55.12,1311 11,1312 11.494,1313 3.807,1314 3.087,1315 28.723,1316 55,1317 45,1318 0.267,1319 121.773,1320 208.04,1321 288.887,1322 2190,1324 12.088,1325 0.711,1326 0.538,1327 12.088,1328 9.153,1329 8.237,1330 0.458,1331 0.289,1332 5.121,1333 7.915,1334 5.01,1335 4.193,1336 8.237,1337 5.196,1338 7.244,1339 0.315,1340 0.159,1341 7.244,1342 3.648,1343 5.26,1344 0.202,1345 0.089,1346 5.26,1347 2.322,1348 4.042,1349 0.13,1350 0.048,1351 4.042,1352 1.493,1353 2.978,1354 0.088,1355 0.028,1356 2.978,1357 0.936,1358 0.425,1359 51.69,1360 0.288,1361 17.695,1362 0.711,1363 82,1364 271.175,1365 89.953,1366 263.951,1367 346.76,1368 244,1369 90,1370 241.596,1371 96.849,1372 247.484,1373 348.78,1374 230,1375 7.959} {0 CHEMBL54268,1 1.476,2 13.138,3 3.074,4 9.452,5 110.559,6 6.632,7 0.367,8 4.172,9 4.291,10 3.617,11 3.604,12 5.23,13 3.58,14 4.741,15 4.929,16 3.907,17 3.968,18 5.768,19 3.917,20 4.969,21 5.172,22 3.919,23 4.114,24 5.948,25 4.011,26 5.154,27 5.415,28 3.781,29 4.097,30 6.061,31 3.959,32 5.037,33 5.308,34 3.743,35 4.013,36 5.844,37 3.877,38 4.964,39 5.224,40 3.745,41 3.967,42 5.82,43 3.844,44 4.933,45 5.187,46 3.724,47 3.959,48 5.836,49 3.838,50 4.882,51 5.139,52 3.726,53 4.003,54 5.666,55 3.881,56 0.028,57 0.806,58 14.441,59 5.842,60 12.538,61 7.948,62 0.449,63 1.226,64 27.025,65 9.079,66 57.975,67 12.71,68 0.462,69 1.445,70 33.818,71 11.783,72 49.509,73 16.588,74 0.75,75 1.508,76 42.016,77 12.545,78 95.207,79 18.373,80 0.549,81 1.383,82 36.903,83 11.434,84 60.634,85 16.962,86 0.592,87 1.32,88 34.329,89 10.507,90 57.798,91 15.651,92 0.693,93 1.297,94 33.401,95 10.2,96 71.183,97 15.139,98 0.407,99 1.338,100 31.016,101 10.135,102 42.807,103 15.141,104 36,105 39,106 0.242,107 0.573,108 0.806,109 0.854,110 0.854,111 0.854,112 3.407,113 0.992,114 -3.17,115 -3.16,116 -3.04,118 36.1,119 2,120 3,122 1,123 1,124 4,126 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 5,175 1,177 1,180 9,181 3,185 2,186 8,191 3,194 5,195 1,197 1,198 5,203 1,206 2,207 1,209 1,210 5,215 1,221 2,222 7,223 1,233 1,234 7,237 1,242 1,247 6,255 3,258 1,259 7,260 2,267 5,270 1827,271 19.223,272 19.223,273 19.223,274 19.223,275 19.223,276 17.709,277 23.319,278 11.643,279 19.841,280 14.722,281 14.722,282 14.722,283 14.722,284 14.722,285 12.48,286 26.233,287 5.441,288 15.598,289 4.454,290 2.434,291 1.013,292 0.726,293 0.726,294 0.726,295 4.071,299 1,300 1,301 772,302 4.848,305 105.132,306 122.295,313 2.024,314 29.994,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 64,326 381,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.635,333 2.341,334 11.924,335 3.327,336 4.035,337 3.016,338 5.584,339 3.632,340 2.687,341 3.522,342 1.151,343 7.703,344 2.582,345 3.956,346 2.907,347 5.479,348 3.586,349 2.641,350 3.49,351 0.86,352 7.335,353 2.45,354 3.496,355 2.66,356 5.113,357 3.19,358 2.278,359 2.767,360 0.86,361 6.29,362 2.078,363 3.381,364 2.577,365 5.042,366 3.109,367 2.17,368 2.434,370 6.115,371 2.019,372 2.878,373 2.489,374 4.404,375 2.67,376 1.686,377 1.852,379 3.634,380 1.65,381 2.625,382 1.965,383 3.683,384 2.366,385 1.378,386 1.638,388 3.091,389 1.336,390 2.547,391 1.639,392 3.501,393 2.142,394 1.249,395 1.538,397 2.706,398 1.111,399 2.5,400 1.276,401 3.414,402 2,403 1.09,404 1.5,406 2.379,407 1,408 2.216,409 1.156,410 3.347,411 1.979,412 1,413 1.196,415 2.275,416 0.957,417 2.118,418 1,419 3.071,420 1.658,421 0.724,422 0.927,424 1.559,425 0.668,426 1.783,427 0.973,428 3,429 1.554,430 0.618,431 0.753,433 1.372,434 0.577,435 1.65,436 0.618,437 2.8,438 1.401,439 0.529,440 0.578,442 0.867,443 0.456,444 1.089,445 0.473,446 2.616,447 0.888,448 -0.03,449 -0.032,451 -0.062,452 -0.027,453 0.935,454 0.43,455 2.505,456 0.806,457 -0.131,458 -0.139,460 -0.315,461 -0.122,462 13.467,463 0.464,464 0.683,465 0.024,466 30.25,467 1.043,468 12,469 0.414,470 18.25,471 0.629,472 29.096,473 1.003,474 34.533,475 0.566,476 22.521,477 0.777,478 6.026,479 0.208,480 7.877,481 0.272,482 0.161,483 0.037,484 0.178,487 0.862,488 1.581,489 0.909,490 1.408,491 0.765,492 1.2,493 1.155,494 1.001,495 1.011,496 0.979,497 0.634,498 0.963,499 0.992,500 1.275,501 1.143,502 1.328,503 0.838,504 1.277,505 1.292,506 0.9,507 1.098,508 0.935,509 1.558,510 0.98,511 1.005,512 0.932,513 0.93,514 0.938,515 0.789,516 0.926,517 0.962,518 0.961,519 0.956,520 0.964,521 0.786,522 0.958,523 1.023,524 0.929,525 0.993,526 0.89,527 0.784,528 0.931,529 0.878,530 0.943,531 0.959,532 0.899,533 0.552,534 0.931,535 6.5,536 0.231,537 2.889,538 1.097,539 0.737,540 0.591,541 0.294,542 0.297,543 0.288,544 0.235,545 11385,546 31188,547 1.949,548 52.5,549 10,550 16,551 1,552 2,553 1,555 2,558 1.719,559 1.822,560 3.653,561 -0.336,563 1,567 90.058,568 1.476,569 3.497,570 4.918,571 5.205,572 5.205,573 5.205,574 3.112,575 4.073,576 4.828,577 3.874,578 1572.93,579 8.41,580 23656.7,582 1,585 361.775,586 1.469,587 4.777,588 0.217,589 0.007,590 0.074,591 0.03,592 0.025,593 0.02,594 0.01,595 0.01,596 0.009,597 0.007,598 0.409,599 0.33,600 0.88,601 1.876,602 152.159,603 -0.031,604 -0.259,605 0.046,606 -0.149,607 -0.046,608 -0.054,609 -0.052,610 0.136,611 -0.003,612 0.093,613 0.118,614 0.061,615 0.002,616 -0.204,617 -0.165,618 -0.249,619 0.009,620 -0.241,621 -0.139,622 0.007,623 -0.089,624 0.003,625 -0.199,626 -0.031,627 -0.037,628 -0.01,629 0.049,630 0.015,631 -0.03,632 0.043,633 0.025,634 -0.001,635 0.03,636 -0.006,637 -0.001,638 0.012,639 0.017,640 0.034,641 0.001,642 0.074,643 0.033,644 0.039,645 -0.094,646 0.093,647 -0.005,648 0.103,649 -0.048,650 0.073,651 2.427,652 4.178,653 0.379,654 33.241,655 1.002,656 1.136,657 1.939,658 3.76,659 0.618,660 3.434,661 3.689,662 3.807,663 3.829,664 3.871,665 3.871,666 3.871,667 3.892,668 3.97,669 4.043,670 7.988,671 0.582,672 404.56,673 3.434,674 4.934,675 5.72,676 6.541,677 7.343,678 8.163,679 8.969,680 9.789,681 10.596,682 11.416,683 3.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 61,726 12,727 1,728 30,730 62,731 22,733 9,734 2,735 4,739 2,740 2,745 2,746 1,751 4,753 10,754 12,756 1,761 1,765 1,769 1,772 32,773 6,774 1,775 7,778 1,779 2,784 1,785 5,801 1,802 1,818 1,830 1,831 2,832 2,836 3,840 29,845 1,846 7,848 3,850 1,852 1,862 8.2,864 1,865 1,866 2,867 1,869 15.917,870 11.433,871 6.625,872 3.535,874 1.445,875 1.219,876 0.878,877 9.649,878 8.055,879 3.624,880 4.073,881 4.438,882 4.757,883 4.959,884 4.905,885 4.924,886 4.891,887 5.075,888 5.319,889 0.889,890 36,891 10.746,893 4.32,894 7.796,895 20.545,897 15.993,899 2.296,900 66.583,903 1,904 364.904,905 125.977,906 18.685,908 100.828,911 125.977,912 465.732,913 18.685,914 28.533,915 23.486,916 46.952,917 139.684,918 30.375,919 11.771,920 329.591,922 364.904,923 144.662,924 100.828,927 341.362,928 102.37,929 22,931 60.702,932 67.174,933 16.786,935 364.904,936 119.513,937 125.977,940 364.904,941 32.825,942 95.051,944 117.613,945 364.904,946 119.513,947 125.977,949 0.569,950 0.317,951 0.137,952 0.064,953 14,954 7,955 0.226,956 14,958 1,959 4.185,960 217.572,962 11,963 134.881,968 23.396,969 11.959,970 8.563,972 117.613,973 13.185,974 4.072,978 1.893,979 1.967,980 42.683,981 610.394,982 36.5,987 11.178,991 -0.761,994 61.094,995 69.272,996 0.249,997 0.59,998 0.829,999 0.878,1000 0.878,1001 0.878,1002 4.834,1003 1.249,1004 5.7,1005 3.091,1006 4.369,1007 4.758,1008 2.719,1009 6.441,1010 4.269,1011 5.992,1012 1.09,1013 7.235,1014 2.706,1015 4.007,1016 4.425,1017 2.243,1018 7.588,1019 3.927,1020 7.267,1021 1,1022 8.892,1023 2.379,1024 5.958,1025 6.751,1026 3.769,1027 10.49,1028 5.803,1029 8.579,1030 0.724,1031 10.63,1032 2.275,1033 6.463,1034 7.232,1035 4.112,1036 12.533,1037 6.347,1038 9.927,1039 0.618,1040 12.426,1041 1.559,1042 7.892,1043 9.028,1044 5.235,1045 15.077,1046 7.733,1047 11.297,1048 0.529,1049 14.265,1050 1.372,1051 8.775,1052 9.862,1053 5.889,1054 17.42,1055 8.655,1056 12.686,1057 -0.03,1058 16.135,1059 0.867,1060 10.027,1061 11.431,1062 6.856,1063 19.901,1064 9.891,1065 3.331,1066 -0.131,1067 18.03,1068 -0.062,1069 11.078,1070 12.442,1071 7.625,1072 22.337,1073 10.973,1074 2.687,1075 11.924,1076 19.943,1077 -0.315,1078 12.275,1079 13.896,1080 8.527,1081 24.812,1082 12.169,1083 2.641,1084 7.703,1085 21.871,1086 3.635,1087 13.403,1088 15.004,1089 9.342,1090 27.277,1091 13.317,1092 2.278,1093 7.335,1094 23.81,1095 3.522,1096 14.588,1097 16.393,1098 10.216,1099 29.753,1100 14.507,1101 2.17,1102 6.29,1103 25.758,1104 3.49,1105 15.751,1106 17.559,1107 11.051,1108 32.226,1109 15.683,1110 1.686,1111 6.115,1112 27.713,1113 2.767,1114 16.938,1115 18.908,1116 11.912,1117 34.704,1118 16.876,1119 1.378,1120 3.634,1121 29.672,1122 2.434,1123 18.119,1124 20.11,1125 12.755,1126 37.18,1127 18.065,1128 11487,1129 19100,1130 19.356,1131 37.705,1132 43.549,1133 44.135,1134 43.721,1135 42.707,1136 42.759,1137 51.66,1138 10.423,1139 114.499,1140 40.423,1141 5.373,1142 5.979,1143 6.953,1144 5.411,1145 5.331,1146 6.635,1147 3.925,1148 18.454,1149 5.327,1150 16.639,1151 1.452,1152 1.471,1153 1.457,1154 1.424,1155 1.425,1156 1.722,1157 0.347,1158 3.817,1159 1.347,1160 3.965,1161 4.018,1162 3.895,1163 3.855,1164 7.474,1165 3.855,1166 3.903,1167 3.937,1168 3.842,1169 3.739,1170 6.351,1171 3.755,1172 3.834,1173 3.877,1174 3.727,1175 3.694,1176 4.962,1177 3.699,1178 3.618,1179 3.657,1180 3.504,1181 3.416,1182 4.876,1183 3.426,1184 3.466,1185 3.519,1186 3.316,1187 3.281,1188 4.646,1189 3.279,1190 3.297,1191 3.351,1192 3.148,1193 3.065,1194 4.46,1195 3.077,1196 3.096,1197 3.164,1198 2.93,1199 2.828,1200 4.262,1201 2.822,1202 3.042,1203 3.068,1204 2.862,1205 2.751,1206 4.196,1207 2.748,1208 0.147,1209 0.133,1210 0.24,1211 0.144,1212 0.111,1213 4.406,1214 0.121,1215 3.979,1216 0.078,1217 7.206,1218 0.397,1219 4.332,1220 0.111,1221 3.331,1222 3.635,1223 2.341,1224 11.924,1225 3.327,1226 1.9,1227 1.878,1228 2.036,1229 2.009,1230 1.367,1231 2.012,1232 1.821,1233 1.777,1234 2.015,1235 1.98,1236 1.197,1237 1.996,1238 1.693,1239 1.642,1240 1.885,1241 1.915,1242 1.125,1243 1.908,1244 1.517,1245 1.455,1246 1.784,1247 1.729,1248 1.045,1249 1.747,1250 1.354,1251 1.303,1252 1.596,1253 1.615,1254 0.701,1255 1.605,1256 1.281,1257 1.219,1258 1.545,1259 1.527,1260 0.626,1261 1.529,1262 1.203,1263 1.132,1264 1.453,1265 1.497,1266 0.598,1267 1.498,1268 1.047,1269 0.967,1270 1.417,1271 1.33,1272 0.517,1273 1.352,1274 4.111,1276 5.38,1277 2.398,1278 6.817,1279 4.443,1280 8.326,1281 6.26,1282 9.872,1284 5.155,1289 9.187,1290 4.445,1292 17.06,1294 -0.102,1296 -0.697,1300 35.519,1301 90.058,1302 213.33,1303 300.001,1304 317.51,1305 317.51,1306 317.51,1307 78.874,1308 6.609,1309 82.81,1310 82.81,1311 11,1312 12,1313 3.7,1314 2.907,1315 65.511,1316 131,1317 149,1318 0.221,1319 223.021,1320 392.75,1321 535.93,1322 6035,1324 21.115,1325 0.728,1326 0.605,1327 21.115,1328 17.543,1329 13.903,1330 0.463,1331 0.331,1332 9.728,1333 13.167,1334 9.385,1335 7.864,1336 13.903,1337 9.919,1338 12.221,1339 0.313,1340 0.199,1341 12.221,1342 7.762,1343 9.406,1344 0.214,1345 0.11,1346 9.406,1347 4.834,1348 6.2,1349 0.138,1350 0.063,1351 6.2,1352 2.839,1353 4.269,1354 0.091,1355 0.037,1356 4.269,1357 1.75,1358 0.359,1359 88.709,1360 0.227,1361 28.422,1362 0.574,1363 138,1364 448.382,1365 155.253,1366 412.961,1367 537.44,1368 386,1369 152,1370 361.324,1371 169.646,1372 366.707,1373 520.28,1374 337,1375 6.921} {0 CHEMBL542787,1 1.528,2 9.118,3 1.145,4 1.311,5 64.201,6 6.496,7 0.294,8 3.67,9 3.801,10 3.071,11 3.077,12 4.758,13 3.047,14 4.22,15 4.425,16 3.3,17 3.448,18 5.297,19 3.358,20 4.504,21 4.774,22 3.204,23 3.538,24 5.364,25 3.384,26 4.547,27 4.819,28 3.155,29 3.466,30 5.682,31 3.311,32 4.418,33 4.711,34 2.907,35 3.337,36 5.283,37 3.162,38 4.248,39 4.54,40 2.809,41 3.193,42 5.104,43 3.027,44 4.107,45 4.389,46 2.722,47 3.05,48 5.02,49 2.904,50 3.96,51 4.231,52 2.639,53 2.878,54 4.938,55 2.756,56 0.051,57 0.494,58 8.921,59 3.304,60 12.038,61 4.763,62 0.267,63 0.741,64 15.898,65 5.298,66 46.946,67 7.917,68 0.24,69 0.8,70 21.053,71 6.688,72 41.59,73 10.253,74 0.576,75 0.75,76 22.75,77 6.295,78 101.354,79 9.803,80 0.345,81 0.663,82 19.667,83 5.534,84 55.727,85 8.737,86 0.265,87 0.573,88 16.49,89 4.684,90 42.576,91 7.431,92 0.245,93 0.496,94 14.397,95 3.931,96 39.356,97 6.26,98 0.22,99 0.423,100 12.513,101 3.16,102 36.401,103 5.149,104 21,105 20,106 0.286,107 0.586,108 0.763,109 0.857,110 0.905,111 0.905,112 2.903,113 1.064,114 -2.27,115 -2.31,116 -2.27,118 32.4,120 5,121 1,124 2,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 2,180 4,181 1,186 2,191 2,192 1,194 3,195 1,198 3,201 1,202 1,203 2,206 2,207 1,210 3,215 2,218 1,219 1,222 3,227 2,230 1,234 3,239 2,247 1,248 1,258 1,259 1,262 2,270 329,271 11.458,272 11.458,273 11.458,274 11.458,275 11.458,276 10.654,277 8.691,278 7.246,279 11.668,280 8.328,281 8.328,282 8.328,283 8.328,284 8.328,285 7.166,286 5.816,287 3.357,288 8.662,289 3.681,290 2.08,291 1.134,292 0.635,293 0.378,294 0.378,295 3.534,299 1,300 1,301 305,302 3.674,305 58.108,313 1.522,314 20.391,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 38,326 155,327 3.92,328 3.725,329 5.897,330 3.705,331 2.708,332 3.479,333 2.341,334 8.041,335 2.687,336 3.874,337 2.646,338 5.352,339 3.458,340 2.542,341 3.025,343 6.997,344 2.328,345 2.868,346 2.197,347 3.918,348 2.779,349 1.784,350 1.89,352 3.653,353 1.772,354 2.699,355 1.751,356 3.703,357 2.41,358 1.428,359 1.711,361 3.059,362 1.39,363 2.498,364 1.4,365 3.432,366 2.185,367 1.228,368 1.458,370 2.597,371 1.162,372 2.118,373 1.101,374 3.073,375 1.883,376 0.929,377 1.007,379 1.86,380 0.88,381 2.041,382 0.812,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 1.452,391 0.618,392 2.618,393 1.342,394 0.397,395 0.414,397 0.719,398 0.371,399 0.992,400 0.432,401 2.121,402 0.836,403 -0.1,404 -0.106,406 -0.173,407 -0.093,408 0.513,409 0.12,410 1.78,411 0.304,412 -0.658,413 -0.692,415 -1.38,416 -0.623,417 0.345,418 -0.482,419 1.356,420 -0.01,421 -1,422 -1.25,424 -2,425 -0.967,426 -0.015,427 -1.029,428 1,429 -0.239,430 -1.193,431 -1.36,433 -2.629,434 -1.144,435 -0.118,436 -1.23,437 1,438 -0.593,439 -1.56,440 -1.675,442 -3.291,443 -1.466,444 -0.358,445 -1.53,446 0.722,447 -0.705,448 -1.618,449 -1.845,451 -4.291,452 -1.512,453 -0.645,454 -1.618,455 0.476,456 -0.71,457 -1.676,458 -1.973,460 -4.372,461 -1.643,462 7.8,463 0.459,464 0.264,465 0.016,466 16,467 0.941,468 5.5,469 0.324,470 10.5,471 0.618,472 14.374,473 0.846,474 21,475 0.568,476 9.348,477 0.55,478 2.973,479 0.175,480 5.264,481 0.31,482 0.128,484 0.179,487 0.893,488 1.678,489 0.971,490 1.405,491 0.796,492 1.231,493 0.673,494 1.247,495 1.065,496 1.256,497 0.531,498 1.232,499 0.725,500 1.098,501 0.937,502 1.16,503 0.737,504 1.101,505 0.952,506 0.9,507 1.016,508 0.953,509 0.982,510 0.998,511 0.984,512 0.863,513 0.986,514 0.898,515 0.992,516 0.941,517 0.898,518 0.909,519 0.949,520 0.929,521 0.887,522 0.947,523 1.038,524 0.926,525 0.999,526 0.928,527 1.031,528 0.951,529 1.196,530 1.042,531 1.038,532 0.964,533 1.208,534 0.967,535 2.5,536 0.066,537 1.333,538 0.722,539 0.285,540 0.191,541 0.137,542 0.072,543 0.081,544 0.095,545 2596,546 8110,547 1.901,548 54.1,549 8,550 4,551 1,552 2,553 2,554 1,555 2,558 1.557,559 1.789,560 3.175,561 0.468,563 1,565 1,567 56.537,568 1.528,569 3.129,570 4.075,571 4.574,572 4.831,573 4.831,574 2.463,575 3.382,576 4.064,577 3.381,578 459.799,579 6.809,580 4650.4,582 1,585 192.75,586 1.29,587 4.021,588 0.147,589 0.007,590 0.067,591 0.042,592 0.019,593 0.016,594 0.012,595 0.007,596 0.009,597 0.011,598 0.337,599 0.5,600 1,601 2.728,602 74.289,603 -0.096,604 -0.26,605 -0.008,606 -0.071,607 -0.057,608 -0.034,609 0.076,610 -0.008,611 -0.118,612 -0.107,613 0.127,614 -0.146,615 -0.013,616 -0.111,617 -0.021,618 -0.125,619 -0.02,620 -0.078,621 0.08,622 -0.008,623 -0.044,624 -0.01,625 0.104,626 -0.046,627 -0.104,628 0.015,629 -0.041,630 0.033,631 -0.102,632 0.011,633 -0.075,634 -0.004,635 -0.011,636 0.013,637 -0.076,638 0.015,639 -0.115,640 -0.012,641 -0.041,642 0.005,643 -0.115,645 -0.147,646 -0.129,647 -0.052,648 -0.052,649 -0.16,650 -0.035,651 2.564,652 3.636,653 0.294,654 13.038,655 1.004,656 1.145,657 1.038,658 1.077,659 0.601,660 2.89,661 3.045,662 3.135,663 3.135,664 2.833,665 2.773,666 2.708,667 2.639,668 2.639,669 2.708,670 5.883,671 0.566,672 240.34,673 2.89,674 4.317,675 5.069,676 5.844,677 6.608,678 7.385,679 8.153,680 8.929,681 9.699,682 10.476,683 5.4,691 1,693 1,699 3,700 1,705 1,706 5,724 37,726 6,728 17,730 37,731 12,733 3,739 1,740 1,745 1,751 5,753 4,754 8,755 1,756 1,761 1,765 1,769 1,772 20,773 4,774 2,775 5,778 1,779 2,784 1,785 3,786 1,801 1,818 1,830 2,832 1,840 17,845 2,846 7,850 1,862 8.1,863 1,864 1,865 1,869 9.5,870 6.05,871 4.111,872 2.336,874 0.829,875 1.155,876 0.839,877 6.706,878 6.186,879 3.068,880 3.409,881 3.698,882 3.981,883 3.537,884 3.508,885 3.477,886 3.446,887 3.477,888 3.66,889 0.833,890 17,891 6.297,893 2.509,894 8.059,895 11.956,897 9.255,899 2.559,900 43.5,901 0.001,904 211.88,905 42.402,906 18.685,908 110.512,911 42.402,912 322.391,913 18.685,915 14.778,916 51.731,917 117.684,918 10.947,919 11.771,920 176.567,922 211.88,923 61.086,924 110.512,927 188.338,928 91.37,929 42.683,931 34.343,932 9.957,933 16.786,935 211.88,936 129.196,937 42.402,940 211.88,941 15.688,942 28.613,944 127.297,945 211.88,946 129.196,947 42.402,949 0.541,950 0.303,951 0.143,952 0.048,953 6,954 3,955 0.243,956 9,958 1,959 3.091,960 94.259,962 5,963 69.487,968 14.037,969 8.122,970 5.73,972 127.297,973 5.497,974 3.961,979 2.035,980 85.367,981 383.478,982 20.5,987 10.636,991 -0.897,994 37.138,995 42.362,996 0.293,997 0.601,998 0.782,999 0.878,1000 0.927,1001 0.927,1002 4.208,1003 0.397,1004 4.963,1005 1.372,1006 3.714,1007 4.086,1008 2.258,1009 5.572,1010 3.638,1011 5.293,1012 -0.1,1013 6.405,1014 0.719,1015 2.944,1016 3.481,1017 2.243,1018 6.163,1019 2.841,1020 6.502,1021 -0.658,1022 7.954,1023 -0.173,1024 5.106,1025 5.937,1026 3.628,1027 9.123,1028 4.961,1029 7.749,1030 -1,1031 9.57,1032 -1.38,1033 5.252,1034 6.289,1035 4.112,1036 10.616,1037 5.075,1038 9.032,1039 -1.193,1040 11.231,1041 -2,1042 6.767,1043 8.088,1044 5.201,1045 13.001,1046 6.563,1047 10.339,1048 -1.56,1049 12.922,1050 -2.629,1051 7.34,1052 8.871,1053 5.889,1054 14.829,1055 7.109,1056 11.662,1057 -1.618,1058 14.633,1059 -3.291,1060 8.573,1061 10.384,1062 6.849,1063 17.015,1064 8.321,1065 2.708,1066 -1.676,1067 16.357,1068 -4.291,1069 9.35,1070 11.378,1071 7.625,1072 18.978,1073 9.08,1074 2.542,1075 8.041,1076 18.091,1077 -4.372,1078 10.452,1079 12.755,1080 8.526,1081 21.091,1082 10.166,1083 1.784,1084 6.997,1085 19.831,1086 3.479,1087 11.33,1088 13.858,1089 9.342,1090 23.111,1091 11.032,1092 1.428,1093 3.653,1094 21.576,1095 3.025,1096 12.37,1097 15.168,1098 10.216,1099 25.197,1100 12.06,1101 1.228,1102 3.059,1103 23.325,1104 1.89,1105 13.297,1106 16.33,1107 11.051,1108 27.245,1109 12.98,1110 0.929,1111 2.597,1112 25.076,1113 1.711,1114 14.307,1115 17.605,1116 11.912,1117 29.322,1118 13.982,1119 0.618,1120 1.86,1121 26.83,1122 1.458,1123 15.26,1124 18.801,1125 12.755,1126 31.383,1127 14.93,1128 2749,1129 4920,1130 10.92,1131 22.228,1132 23.647,1133 23.86,1134 24.343,1135 23.291,1136 23.27,1137 27.824,1138 4.682,1139 56.599,1140 22.336,1141 4.867,1142 5.658,1143 5.729,1144 4.731,1145 4.694,1146 6.064,1147 3.925,1148 13.454,1149 4.633,1150 8.766,1151 1.391,1152 1.404,1153 1.432,1154 1.37,1155 1.369,1156 1.637,1157 0.275,1158 3.329,1159 1.314,1160 3.942,1161 4.01,1162 3.869,1163 3.752,1164 7.474,1165 3.766,1166 3.796,1167 3.843,1168 3.684,1169 3.64,1170 6.456,1171 3.645,1172 3.581,1173 3.634,1174 3.437,1175 3.417,1176 6.35,1177 3.414,1178 3.259,1179 3.33,1180 3.082,1181 3.066,1182 4.953,1183 3.057,1184 3.069,1185 3.076,1186 2.93,1187 2.651,1188 4.152,1189 2.72,1190 2.874,1191 2.971,1192 2.635,1193 2.635,1194 3.882,1195 2.618,1196 2.524,1197 2.635,1198 2.28,1199 2.308,1200 3.565,1201 2.289,1202 2.446,1203 2.556,1204 2.203,1205 2.162,1206 3.344,1207 2.147,1208 0.231,1209 0.219,1210 0.347,1211 0.218,1212 0.159,1213 3.92,1214 0.205,1215 3.725,1216 0.138,1217 5.897,1218 0.473,1219 3.705,1220 0.158,1221 2.708,1222 3.479,1223 2.341,1224 8.041,1225 2.687,1226 1.814,1227 1.76,1228 2.043,1229 1.983,1230 1.407,1231 2.004,1232 1.672,1233 1.617,1234 1.885,1235 1.881,1236 1.211,1237 1.881,1238 1.453,1239 1.393,1240 1.677,1241 1.683,1242 0.93,1243 1.685,1244 1.3,1245 1.233,1246 1.505,1247 1.526,1248 0.645,1249 1.518,1250 1.137,1251 1.059,1252 1.411,1253 1.399,1254 0.453,1255 1.418,1256 0.859,1257 0.837,1258 1.211,1259 1.311,1260 0.313,1261 1.24,1262 0.78,1263 0.689,1264 1.072,1265 1.082,1266 0.148,1267 1.119,1268 0.432,1269 0.304,1270 0.928,1271 0.79,1273 0.848,1274 3.555,1276 4.745,1277 2.398,1278 6.094,1279 4.443,1280 7.515,1281 6.26,1282 8.974,1289 17.564,1290 5.298,1294 -0.594,1300 20.928,1301 56.537,1302 115.782,1303 150.776,1304 169.24,1305 178.75,1306 178.75,1307 43.01,1308 5.357,1309 75.35,1310 75.35,1311 5,1312 11.093,1313 2.807,1314 2.17,1315 38.634,1316 61,1317 40,1318 0.306,1319 135.28,1320 233.35,1321 321.844,1322 1170,1324 12.51,1325 0.736,1326 0.586,1327 12.51,1328 9.956,1329 8.236,1330 0.484,1331 0.355,1332 5.936,1333 7.835,1334 5.848,1335 4.885,1336 8.236,1337 6.031,1338 6.554,1339 0.328,1340 0.211,1341 6.554,1342 4.221,1343 4.879,1344 0.222,1345 0.129,1346 4.879,1347 2.848,1348 3.501,1349 0.159,1350 0.08,1351 3.501,1352 1.751,1353 1.711,1354 0.107,1355 0.061,1356 1.711,1357 0.976,1358 0.505,1359 52.392,1360 0.303,1361 18.113,1362 0.77,1363 74,1364 251.325,1365 83.392,1366 234.403,1367 295.06,1368 216,1369 79,1370 190.111,1371 87.676,1372 190.598,1373 267.72,1374 177,1375 6.602} {0 CHEMBL542788,1 1.399,2 9.15,3 3.659,4 13.387,5 80.039,6 7.226,7 0.571,8 3.671,9 3.779,10 3.197,11 3.274,12 4.849,13 3.233,14 4.138,15 4.304,16 3.5,17 3.621,18 5.365,19 3.553,20 4.331,21 4.5,22 3.496,23 3.769,24 5.367,25 3.663,26 4.49,27 4.722,28 3.43,29 3.773,30 5.444,31 3.632,32 4.512,33 4.758,34 3.391,35 3.694,36 5.551,37 3.562,38 4.344,39 4.571,40 3.249,41 3.541,42 5.419,43 3.412,44 4.264,45 4.551,46 2.974,47 3.314,48 5.223,49 3.16,50 3.922,51 4.179,52 2.654,53 2.995,54 4.939,55 2.854,56 0.027,57 0.465,58 7.407,59 3.559,60 8.014,61 4.545,62 0.159,63 0.733,64 12.83,65 5.674,66 34.015,67 7.602,68 0.086,69 0.88,70 15.571,71 7.084,72 21.66,73 9.375,74 0.094,75 1.01,76 19.525,77 8.322,78 23.261,79 11.531,80 0.196,81 0.981,82 21.111,83 8.311,84 45.612,85 11.262,86 0.139,87 0.85,88 17.339,89 6.824,90 33.664,91 9.222,92 0.165,93 0.775,94 17.092,95 6.12,96 33.117,97 8.663,98 0.158,99 0.519,100 12.121,101 4.412,102 34.505,103 5.875,104 20,105 28,106 0.253,107 0.609,108 0.781,109 0.877,110 0.887,111 0.887,112 3.057,113 0.923,114 -3.92,115 -3.87,116 -3.68,118 45.9,119 2,120 1,133 1,134 1,140 5,141 4,143 2,154 1,163 1,167 1,168 14,169 1,172 3,175 1,177 1,180 18,181 1,186 3,191 1,194 18,195 2,198 3,203 2,206 14,207 2,210 4,215 2,218 11,219 2,222 5,227 2,229 7,230 2,234 3,239 2,242 4,243 1,247 2,252 1,255 3,256 1,259 3,264 1,267 2,268 1,270 462,271 13.137,272 13.137,273 13.137,274 13.137,275 13.137,276 11.206,277 12.837,278 7.94,279 13.208,280 10.372,281 10.372,282 10.372,283 10.372,284 10.372,285 7.576,286 14.266,287 3.805,288 10.472,289 3.81,290 1.848,291 0.895,292 0.365,293 0.311,294 0.311,295 3.713,298 1,299 1,300 1,301 375,302 3.162,306 141.833,313 1.75,314 15.53,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42.5,326 183,327 4.338,328 3.492,329 6.198,330 3.962,331 2.962,332 3.983,333 1.437,334 9.196,335 2.961,336 4.017,337 3.149,338 5.897,339 3.657,340 2.659,341 3.487,342 0.68,343 8.207,344 2.652,345 3.809,346 2.79,347 5.288,348 3.373,349 2.381,350 3.292,352 6.722,353 2.359,354 3.449,355 2.5,356 4.724,357 3.065,358 2.06,359 2.67,361 5.236,362 2.046,363 2.937,364 1.743,365 4.18,366 2.515,367 1.535,368 2.101,370 3.78,371 1.503,372 2.802,373 1.509,374 3.838,375 2.337,376 1.349,377 1.917,379 3.061,380 1.33,381 2.713,382 1.404,383 3.584,384 2.192,385 1.193,386 1.686,388 2.929,389 1.187,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 1.552,400 0.584,401 2.922,402 1.255,403 0.259,404 0.32,406 0.642,407 0.258,408 0.956,409 0.498,410 2.471,411 0.586,412 -0.403,413 -0.507,415 -0.956,416 -0.395,417 0.878,418 -0.118,419 2.274,420 0.543,421 -0.469,422 -0.556,424 -1.141,425 -0.462,426 0.665,427 -0.132,428 1.949,429 0.284,430 -0.711,431 -0.899,433 -1.803,434 -0.706,435 0.5,436 -0.515,437 1.555,438 -0.019,439 -1,440 -1.389,442 -2,443 -0.973,444 0.398,445 -0.979,446 1.498,447 -0.025,448 -1,449 -1.462,451 -2.347,452 -0.981,453 0.254,454 -1,455 1.424,456 -0.132,457 -1.113,458 -1.5,460 -2.871,461 -1.092,462 9.567,463 0.478,464 0.527,465 0.026,466 26.5,467 1.325,468 15,469 0.75,470 11.5,471 0.575,472 14.006,473 0.7,474 21.033,475 0.568,476 17.69,477 0.885,478 5.513,479 0.276,480 4.045,481 0.202,482 0.174,484 0.314,487 0.748,488 1.069,489 0.837,490 0.987,491 0.741,492 0.936,493 0.436,494 0.933,495 0.793,496 0.912,497 0.349,498 0.897,499 0.72,500 1.171,501 1.134,502 1.2,503 0.759,504 1.221,505 0.504,506 1.088,507 0.994,508 1.147,509 0.478,510 1.135,511 0.99,512 0.925,513 0.945,514 0.934,515 1.002,516 0.94,517 1.008,518 1.18,519 1.1,520 1.156,521 1.026,522 1.145,523 0.908,524 0.844,525 0.905,526 0.862,527 0.829,528 0.869,529 1.451,530 0.851,531 1.064,532 0.861,533 1.559,534 0.912,535 4.5,536 0.066,537 2,538 1.125,539 1.164,540 0.5,541 0.344,542 0.288,543 0.086,544 0.084,545 3669,546 10823,547 1.966,548 45.9,549 8,550 6,552 2,553 1,558 1.615,559 1.818,560 3.185,561 -0.37,563 1,565 1,567 51.776,568 1.399,569 3.362,570 4.314,571 4.844,572 4.898,573 4.898,574 2.746,575 3.584,576 4.289,577 3.345,578 635.593,579 7.316,580 6591.62,581 1,582 1,583 1,584 1,585 192.75,586 1.485,587 4.237,588 0.214,589 0.008,590 0.071,591 0.042,592 0.049,593 0.022,594 0.018,595 0.021,596 0.009,597 0.009,598 0.463,599 0.83,600 1,601 1.329,602 89.566,603 -0.055,604 -0.002,605 0.006,606 0.042,607 -0.093,608 0.031,609 0.224,610 0.108,611 0.093,612 0.095,613 0.281,614 0.083,615 -0.097,616 -0.161,617 -0.259,618 -0.189,619 -0.117,620 -0.238,621 0.024,622 -0.115,623 -0.076,624 -0.154,625 0.034,626 -0.13,627 -0.049,628 0.003,629 0.042,630 0.048,631 -0.026,632 0.054,633 -0.066,634 -0.217,635 -0.131,636 -0.187,637 -0.082,638 -0.173,639 -0.013,640 0.114,641 0.115,642 0.082,643 0.018,644 0.117,645 -0.161,646 0.053,647 -0.021,648 0.1,649 -0.209,650 0.061,651 2.584,652 3.693,653 0.6,654 16.9,655 0.995,656 1.115,657 2.689,658 7.232,659 0.676,660 3.091,661 3.367,662 3.526,663 3.714,664 3.892,665 3.807,666 3.871,667 3.892,668 3.85,669 3.664,670 5.509,671 0.64,672 267.35,673 3.091,674 4.595,675 5.398,676 6.244,677 7.069,678 7.918,679 8.754,680 9.604,681 10.445,682 11.297,683 2.7,693 1,699 7,700 1,704 4,706 12,724 37,726 14,727 1,728 21,730 38,731 17,733 11,734 3,735 3,736 3,739 2,740 2,745 2,751 1,753 14,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 20,845 1,846 1,862 5.4,864 1,865 1,869 11,870 7.233,871 4.472,872 2.1,874 2.553,875 1.411,876 0.932,877 4.441,878 8.76,879 3.401,880 3.97,881 4.454,882 4.956,883 5.474,884 5.549,885 5.885,886 6.211,887 6.491,888 6.593,889 1,890 27,891 7.338,893 2.971,894 7.875,895 13.899,897 10.868,899 2.375,900 47.5,904 188.338,905 111.975,906 16.786,908 67.828,911 111.975,912 256.166,913 16.786,914 17.65,915 2.535,916 56.857,917 109.066,918 34.023,920 164.795,922 188.338,923 128.761,924 67.828,927 188.338,928 67.828,931 38.28,932 64.219,933 26.262,935 188.338,936 84.614,937 111.975,940 188.338,941 19.372,942 92.603,944 84.614,945 188.338,946 84.614,947 111.975,949 0.573,950 0.31,951 0.162,952 0.089,953 12,954 6,955 0.105,956 4,958 1,959 3.234,960 138.456,962 12,963 84.439,968 14.168,969 6.269,970 3.871,972 84.614,973 13.655,974 4.115,978 4.496,980 42.683,981 384.926,982 29,987 10.693,989 1.232,991 -0.159,994 36.825,995 41.239,996 0.269,997 0.645,998 0.828,999 0.93,1000 0.94,1001 0.94,1002 4.595,1003 1,1004 5.371,1005 2.929,1006 4.043,1007 4.654,1008 1.801,1009 6.107,1010 4.028,1011 5.804,1012 0.259,1013 6.889,1014 2.136,1015 3.611,1016 4.369,1018 6.862,1019 3.604,1020 7.094,1021 -0.403,1022 8.504,1023 0.642,1024 5.565,1025 6.79,1026 2.297,1027 9.902,1028 5.544,1029 8.416,1030 -0.469,1031 10.175,1032 -0.956,1033 5.889,1034 7.243,1036 11.443,1037 5.881,1038 9.763,1039 -0.711,1040 11.882,1041 -1.141,1042 7.351,1043 9.171,1044 2.933,1045 13.993,1046 7.329,1047 11.13,1048 -1,1049 13.612,1050 -1.803,1051 8.038,1052 9.998,1054 15.874,1055 8.027,1056 12.511,1057 -1,1058 15.36,1059 -2,1060 9.28,1061 11.683,1062 3.621,1063 18.227,1064 9.26,1065 2.962,1066 -1.113,1067 17.121,1068 -2.347,1069 10.152,1070 12.723,1072 20.269,1073 10.14,1074 2.659,1075 9.196,1076 18.891,1077 -2.871,1078 11.294,1079 14.272,1080 4.33,1081 22.537,1082 11.275,1083 2.381,1084 8.207,1085 20.668,1086 3.983,1087 12.26,1088 15.44,1090 24.659,1091 12.247,1092 2.06,1093 6.722,1094 22.451,1095 3.487,1096 13.358,1097 16.912,1098 5.048,1099 26.889,1100 13.341,1101 1.535,1102 5.236,1103 24.239,1104 3.292,1105 14.374,1106 18.16,1108 29.051,1109 14.361,1110 1.349,1111 3.78,1112 26.03,1113 2.67,1114 15.453,1115 19.587,1116 5.769,1117 31.267,1118 15.438,1119 1.193,1120 3.061,1121 27.825,1122 2.101,1123 16.496,1124 20.884,1126 33.45,1127 16.483,1128 3756,1129 6525,1130 13.523,1131 25.006,1132 31.377,1133 31.642,1134 31.756,1135 30.794,1136 30.797,1137 41.914,1138 4.233,1139 83.817,1140 30.499,1141 5.096,1142 5.492,1143 6,1144 4.997,1145 4.962,1146 6.983,1147 2.873,1148 15.646,1149 4.961,1150 10.898,1151 1.494,1152 1.507,1153 1.512,1154 1.466,1155 1.467,1156 1.996,1157 0.202,1158 3.991,1159 1.452,1160 4.012,1161 4.039,1162 3.954,1163 3.961,1164 7.476,1165 3.956,1166 3.83,1167 3.868,1168 3.768,1169 3.74,1170 6.351,1171 3.742,1172 3.607,1173 3.632,1174 3.537,1175 3.484,1176 4.905,1177 3.488,1178 3.204,1179 3.245,1180 3.101,1181 3.003,1182 4.721,1183 3.008,1184 3.147,1185 3.216,1186 2.95,1187 2.998,1188 4.21,1189 2.979,1190 3.049,1191 3.127,1192 2.857,1193 2.823,1194 3.873,1195 2.833,1196 2.766,1197 2.85,1198 2.622,1199 2.598,1200 3.843,1201 2.585,1202 2.69,1203 2.771,1204 2.507,1205 2.507,1206 3.73,1207 2.505,1208 0.207,1209 0.166,1210 0.295,1211 0.189,1212 0.141,1213 4.338,1214 0.19,1215 3.492,1216 0.068,1217 6.198,1218 0.438,1219 3.962,1220 0.141,1221 2.962,1222 3.983,1223 1.437,1224 9.196,1225 2.961,1226 1.993,1227 1.97,1228 2.099,1229 2.065,1230 1.281,1231 2.077,1232 1.816,1233 1.781,1234 1.939,1235 1.931,1236 1.034,1237 1.936,1238 1.575,1239 1.543,1240 1.768,1241 1.733,1242 0.851,1243 1.738,1244 1.186,1245 1.108,1246 1.527,1247 1.414,1248 0.607,1249 1.448,1250 1.124,1251 1.083,1252 1.388,1253 1.383,1254 0.516,1255 1.365,1256 1.027,1257 0.965,1258 1.313,1259 1.279,1260 0.266,1261 1.321,1262 0.759,1263 0.688,1264 1.049,1265 0.986,1266 0.096,1267 1.01,1268 0.694,1269 0.609,1270 1.017,1271 0.924,1272 0.053,1273 0.962,1274 3.761,1276 5.043,1278 6.512,1280 8.064,1282 9.66,1284 3.854,1289 8.781,1290 0.835,1300 23.665,1301 51.776,1302 124.385,1303 159.63,1304 179.24,1305 181.24,1306 181.24,1307 32.394,1308 6.207,1309 50.19,1310 50.19,1311 12,1312 11.856,1313 3.907,1314 3.17,1315 36.544,1316 67,1317 56,1318 0.28,1319 150.421,1320 263.6,1321 358.787,1322 3327,1324 14.535,1325 0.727,1326 0.581,1327 14.535,1328 11.629,1329 9.559,1330 0.455,1331 0.308,1332 6.414,1333 9.335,1334 6.134,1335 5.179,1336 9.559,1337 6.461,1338 8.657,1339 0.309,1340 0.173,1341 8.657,1342 4.845,1343 6.396,1344 0.194,1345 0.099,1346 6.396,1347 3.255,1348 5.155,1349 0.129,1350 0.053,1351 5.155,1352 2.131,1353 3.952,1354 0.082,1355 0.029,1356 3.952,1357 1.414,1358 0.437,1359 59.006,1360 0.272,1361 20.158,1362 0.768,1363 98,1364 283.53,1365 103.816,1366 281.045,1367 373.09,1368 260,1369 110,1370 261.779,1371 114.157,1372 272.208,1373 384.76,1374 253,1375 7.745} {0 CHEMBL543021,1 1.392,2 9.563,3 3.056,4 9.338,5 62.815,6 6.324,7 0.375,8 3.588,9 3.718,10 2.977,11 3.099,12 4.633,13 3.039,14 4.129,15 4.331,16 3.176,17 3.44,18 5.193,19 3.316,20 4.421,21 4.698,22 3.039,23 3.518,24 5.22,25 3.335,26 4.363,27 4.655,28 2.867,29 3.413,30 5.105,31 3.204,32 4.279,33 4.58,34 2.78,35 3.288,36 5.041,37 3.087,38 4.128,39 4.418,40 2.69,41 3.153,42 4.945,43 2.968,44 3.984,45 4.267,46 2.593,47 3.011,48 4.853,49 2.84,50 3.816,51 4.088,52 2.485,53 2.845,54 4.753,55 2.694,56 0.033,57 0.459,58 8.186,59 3.526,60 6.621,61 4.849,62 0.171,63 0.708,64 14.2,65 5.616,66 33.686,67 8.06,68 0.188,69 0.818,70 18.945,71 6.934,72 32.978,73 10.134,74 0.16,75 0.746,76 17.741,77 6.579,78 29.229,79 9.637,80 0.173,81 0.673,82 16.407,83 5.708,84 29.683,85 8.511,86 0.156,87 0.582,88 14.171,89 4.852,90 27.024,91 7.211,92 0.145,93 0.502,94 12.326,95 4.111,96 25.143,97 6.109,98 0.133,99 0.423,100 10.48,101 3.371,102 23.269,103 5.006,104 13,105 18,106 0.263,107 0.544,108 0.668,109 0.768,110 0.83,111 0.852,112 2.847,113 1.105,114 -3.23,115 -3.22,116 -3.09,118 37.1,120 7,140 2,141 1,143 2,154 1,163 1,167 1,168 9,169 1,172 3,175 1,177 1,180 9,181 1,186 2,191 1,194 7,195 1,198 2,203 1,206 6,207 1,210 2,215 1,218 5,219 1,222 2,227 1,229 4,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 2,264 1,268 2,270 286,271 10.795,272 10.795,273 10.795,274 10.795,275 10.795,276 9.836,277 6.78,278 7.152,279 10.874,280 7.949,281 7.949,282 7.949,283 7.949,284 7.949,285 6.585,286 3.363,287 3.491,288 8.055,289 3.738,290 2.255,291 1.599,292 1.072,293 0.743,294 0.629,295 3.483,299 1,300 1,301 302,302 3.24,306 61.388,313 1.617,314 13.587,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 34.5,326 153,327 3.896,328 3.596,329 5.34,330 3.516,331 2.522,332 3.444,333 2.341,334 6.965,335 2.508,336 3.55,337 2.718,338 4.659,339 3.241,340 2.235,341 2.71,343 5.184,344 2.223,345 2.965,346 1.842,347 3.828,348 2.785,349 1.789,350 2.12,352 3.62,353 1.779,354 2.768,355 1.612,356 3.608,357 2.469,358 1.513,359 1.779,361 3.134,362 1.443,363 2.5,364 1.327,365 3.259,366 2.171,367 1.185,368 1.5,370 2.435,371 1.163,372 2.3,373 1,374 3.247,375 1.984,376 1,377 1.277,379 2.136,380 0.983,381 1.691,382 0.849,383 2.733,384 1.58,385 0.583,386 0.622,388 1.209,389 0.579,390 1.085,391 0.463,392 2.192,393 0.934,394 -0.064,395 -0.069,397 -0.137,398 -0.063,399 0.681,400 0.109,401 1.654,402 0.401,403 -0.595,404 -0.669,406 -1.274,407 -0.585,408 0.5,409 -0.349,410 1.555,411 0.039,412 -1,413 -1.119,415 -2,416 -0.935,417 0.435,418 -0.841,419 1.168,420 -0.049,421 -1,422 -1.373,424 -2.119,425 -0.946,426 0.131,427 -1,428 1,429 -0.056,430 -1,431 -1.5,433 -2.347,434 -1.033,435 -0.348,436 -1.244,437 0.923,438 -0.444,439 -1.437,440 -1.653,442 -3.223,443 -1.442,444 -0.5,445 -1.579,446 0.503,447 -0.781,448 -1.778,449 -1.947,451 -4.151,452 -1.781,453 -0.721,454 -1.882,455 0.198,456 -0.956,457 -1.955,458 -2.122,459 -0.757,460 -4.642,461 -1.936,462 7.567,463 0.473,464 0.212,465 0.013,466 16.5,467 1.031,468 7.5,469 0.469,470 9,471 0.563,472 12.573,473 0.786,474 18.833,475 0.538,476 8.529,477 0.533,478 2.962,479 0.185,480 4.826,481 0.302,482 0.088,484 0.132,487 0.765,488 1.347,489 0.986,490 1.252,491 0.686,492 1.167,493 0.435,494 1.31,495 1.051,496 1.309,497 0.356,498 1.27,499 0.798,500 0.957,501 0.993,502 0.998,503 0.813,504 1.022,505 0.667,506 0.996,507 0.944,508 1.039,509 0.705,510 1.039,511 0.782,512 0.886,513 0.913,514 0.913,515 0.783,516 0.93,517 0.907,518 0.916,519 0.964,520 0.935,521 0.915,522 0.955,523 1.044,524 0.923,525 0.998,526 0.931,527 1.063,528 0.954,529 1.236,530 0.932,531 1.045,532 0.925,533 1.268,534 0.952,535 2,536 0.054,537 0.667,538 0.313,539 0.231,540 0.146,541 0.101,542 0.075,543 0.033,544 0.066,545 2282,546 6536,547 1.929,548 54.3,549 12,550 2,552 2,553 1,554 2,558 1.535,559 1.846,560 3.268,561 -0.291,563 1,564 1,565 1,567 48.709,568 1.392,569 2.875,570 3.53,571 4.058,572 4.386,573 4.501,574 2.733,575 3.25,576 3.973,577 3.429,578 411.43,579 6.616,580 3963.08,582 1,584 1,585 179.525,586 1.061,587 3.953,588 0.125,589 0.008,590 0.037,591 0.021,592 0.019,593 0.013,594 0.01,595 0.008,596 0.004,597 0.009,598 0.255,599 0.83,600 1,601 2.625,602 68.753,603 -0.05,604 -0.062,605 -0.008,606 -0.003,607 -0.013,608 -0.003,609 0.202,610 -0.169,611 -0.108,612 -0.191,613 0.247,614 -0.192,615 -0.059,616 0.001,617 -0.062,618 -0.01,619 -0.059,620 -0.033,621 -0.007,622 -0.082,623 -0.032,624 -0.06,625 -0.031,626 -0.053,627 -0.029,628 0.019,629 0.015,630 0.025,631 -0.042,632 0.027,633 -0.059,634 0.005,635 -0.019,636 0.007,637 -0.075,638 0.001,639 -0.087,640 0.005,641 -0.035,642 0.005,643 -0.109,644 -0.005,645 -0.125,646 0.006,647 -0.058,648 0.003,649 -0.155,650 -0.014,651 2.35,652 3.267,653 0.375,654 12.609,655 0.992,656 1.133,657 2.003,658 4.011,659 0.622,660 2.833,661 2.944,662 2.944,663 2.996,664 3.045,665 2.773,666 2.708,667 2.639,668 2.565,669 2.565,670 5.89,671 0.577,672 221.33,673 2.833,674 4.234,675 4.949,676 5.7,677 6.431,678 7.188,679 7.926,680 8.685,681 9.428,682 10.189,683 2.9,693 1,699 4,700 1,704 1,706 6,724 35,726 7,728 16,730 35,731 13,733 5,739 1,740 1,751 7,753 6,754 7,756 1,761 1,765 1,769 1,772 19,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 16,845 1,846 7,862 5.7,864 1,865 1,869 8.667,870 5.9,871 3.833,872 2.364,874 1.147,875 1.216,876 0.877,877 6.433,878 6.455,879 3.045,880 3.384,881 3.631,882 3.982,883 4.356,884 3.841,885 3.819,886 3.797,887 3.774,888 3.841,889 1,890 15,891 5.905,893 2.286,894 7.865,895 11.457,897 8.786,899 2.365,900 37.833,901 0.003,904 211.88,905 58.885,906 16.786,908 67.828,911 58.885,912 279.708,913 16.786,915 17.742,916 18.952,917 109.066,918 21.28,920 188.338,922 211.88,923 75.67,924 67.828,927 211.88,928 67.828,931 35.837,932 23.048,933 16.786,935 211.88,936 84.614,937 58.885,940 211.88,941 21.837,942 37.047,944 84.614,945 211.88,946 84.614,947 58.885,949 0.53,950 0.259,951 0.127,952 0.066,953 5,954 2,955 0.229,956 8,958 1,959 3.06,960 84.291,962 6,963 60,968 12.86,969 8.004,970 6.843,972 84.614,973 7.735,974 3.975,978 1.334,980 42.683,981 355.378,982 20,987 10.267,991 -0.684,994 34.709,995 39.654,996 0.271,997 0.56,998 0.688,999 0.791,1000 0.855,1001 0.877,1002 4.151,1003 -0.064,1004 4.796,1005 1.209,1006 3.611,1007 4.06,1008 2.258,1009 5.293,1010 3.587,1011 5.222,1012 -0.595,1013 6.151,1014 -0.137,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.404,1021 -1,1022 7.595,1023 -1.274,1024 4.89,1025 5.906,1026 3.628,1027 8.49,1028 4.853,1029 7.616,1030 -1,1031 9.097,1032 -2,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.595,1038 8.861,1039 -1,1040 10.638,1041 -2.119,1042 6.389,1043 8.046,1044 5.201,1045 12.018,1046 6.34,1047 10.126,1048 -1.437,1049 12.209,1050 -2.347,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.526,1056 11.409,1057 -1.778,1058 13.802,1059 -3.223,1060 8.003,1061 10.326,1062 6.849,1063 15.717,1064 7.945,1065 2.522,1066 -1.955,1067 15.412,1068 -4.151,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.401,1074 2.235,1075 6.965,1076 17.035,1077 -4.642,1078 9.688,1079 12.677,1080 8.526,1081 19.505,1082 9.621,1083 1.789,1084 5.184,1085 18.667,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.247,1092 1.513,1093 3.62,1094 20.307,1095 2.71,1096 11.422,1097 15.067,1098 10.216,1099 23.34,1100 11.346,1101 1.185,1102 3.134,1103 21.953,1104 2.12,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.079,1110 1,1111 2.435,1112 23.604,1113 1.779,1114 13.189,1115 17.481,1116 11.912,1117 27.198,1118 13.104,1119 0.583,1120 2.136,1121 25.259,1122 1.5,1123 13.981,1124 18.446,1125 12.755,1126 29.119,1127 13.905,1128 2414,1129 4150,1130 10.515,1131 21.767,1132 21.841,1133 22.192,1134 21.846,1135 21.668,1136 21.657,1137 26.904,1138 4.682,1139 49.364,1140 21.355,1141 4.831,1142 5.596,1143 5.205,1144 4.552,1145 4.522,1146 6.444,1147 3.925,1148 11.754,1149 4.464,1150 7.125,1151 1.365,1152 1.387,1153 1.365,1154 1.354,1155 1.354,1156 1.682,1157 0.293,1158 3.085,1159 1.335,1160 3.912,1161 3.957,1162 3.83,1163 3.817,1164 7.474,1165 3.813,1166 3.754,1167 3.808,1168 3.62,1169 3.622,1170 6.351,1171 3.61,1172 3.546,1173 3.596,1174 3.414,1175 3.373,1176 4.898,1177 3.371,1178 3.265,1179 3.318,1180 3.109,1181 3.046,1182 4.17,1183 3.052,1184 2.943,1185 3.011,1186 2.758,1187 2.735,1188 3.95,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.69,1194 3.674,1195 2.699,1196 2.638,1197 2.729,1198 2.418,1199 2.365,1200 3.672,1201 2.371,1202 2.386,1203 2.505,1204 2.069,1205 2.079,1206 3.302,1207 2.064,1208 0.244,1209 0.225,1210 0.334,1211 0.22,1212 0.158,1213 3.896,1214 0.215,1215 3.596,1216 0.146,1217 5.34,1218 0.435,1219 3.516,1220 0.157,1221 2.522,1222 3.444,1223 2.341,1224 6.965,1225 2.508,1226 1.888,1227 1.847,1228 2.065,1229 2.012,1230 1.403,1231 2.029,1232 1.751,1233 1.697,1234 1.959,1235 1.913,1236 1.208,1237 1.932,1238 1.523,1239 1.468,1240 1.771,1241 1.729,1242 0.964,1243 1.742,1244 1.219,1245 1.161,1246 1.508,1247 1.478,1248 0.709,1249 1.483,1250 0.89,1251 0.823,1252 1.224,1253 1.199,1254 0.406,1255 1.206,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.596,1263 0.512,1264 0.978,1265 0.938,1266 0.121,1267 0.961,1268 0.373,1269 0.262,1270 0.811,1271 0.733,1273 0.775,1274 3.497,1276 4.654,1278 5.974,1280 7.368,1282 8.803,1289 8.459,1290 6.746,1300 20.192,1301 48.709,1302 100.612,1303 123.551,1304 142.015,1305 153.525,1306 157.525,1307 31.412,1308 5.308,1309 50.19,1310 50.19,1311 6,1312 10.824,1313 3,1314 2.322,1315 35.147,1316 57,1317 44,1318 0.297,1319 131.155,1320 228.22,1321 311.777,1322 1142,1324 11.64,1325 0.727,1326 0.598,1327 11.64,1328 9.562,1329 7.788,1330 0.487,1331 0.368,1332 5.849,1333 7.561,1334 5.734,1335 4.82,1336 7.788,1337 5.895,1338 6.243,1339 0.347,1340 0.223,1341 6.243,1342 4.017,1343 4.119,1344 0.229,1345 0.145,1346 4.119,1347 2.605,1348 2.992,1349 0.157,1350 0.089,1351 2.992,1352 1.685,1353 2.172,1354 0.109,1355 0.054,1356 2.172,1357 1.08,1358 0.494,1359 48.381,1360 0.308,1361 17.307,1362 0.736,1363 68,1364 205.53,1365 73.816,1366 197.431,1367 251.19,1368 182,1369 70,1370 164.779,1371 73.99,1372 166.638,1373 230.52,1374 156,1375 6} {0 CHEMBL543077,1 1.505,2 8.333,3 1.76,4 3.097,5 68.858,6 7.572,7 0.75,8 3.597,9 3.745,10 3.196,11 3.079,12 4.718,13 3.075,14 4.103,15 4.3,16 3.478,17 3.457,18 5.118,19 3.416,20 4.264,21 4.519,22 3.281,23 3.506,24 5.078,25 3.397,26 4.28,27 4.543,28 3.18,29 3.459,30 5.101,31 3.332,32 4.22,33 4.509,34 2.927,35 3.301,36 4.991,37 3.146,38 4.033,39 4.325,40 2.821,41 3.113,42 4.822,43 2.978,44 3.845,45 4.126,46 2.808,47 2.953,48 4.715,49 2.844,50 3.634,51 3.905,52 2.859,53 2.724,54 4.67,55 2.697,56 0.091,57 0.549,58 6.531,59 2.491,60 8.541,61 3.532,62 0.174,63 0.818,64 12.008,65 4.161,66 14.404,67 6.132,68 0.166,69 0.824,70 15.717,71 5.249,72 15.5,73 8.023,74 0.182,75 0.802,76 16.2,77 5.126,78 18.636,79 7.981,80 0.207,81 0.695,82 15.972,83 4.642,84 20.52,85 7.441,86 0.182,87 0.579,88 13.336,89 3.671,90 17.173,91 5.992,92 0.162,93 0.499,94 10.818,95 3.144,96 13.863,97 5.02,98 0.136,99 0.431,100 8.604,101 2.003,102 12.532,103 3.485,105 26,106 0.28,107 0.672,108 0.798,109 0.86,110 0.884,111 0.884,112 2.959,113 0.908,114 -3.67,115 -3.64,116 -3.47,118 37.5,120 4,140 3,143 1,147 1,150 2,156 1,162 1,165 2,168 5,171 3,172 5,175 1,180 4,186 6,191 1,194 3,198 7,203 1,206 3,210 5,215 1,218 3,222 2,227 1,229 2,233 2,234 3,242 1,246 1,247 3,250 1,252 1,258 2,259 3,264 1,270 356,271 12.69,272 12.69,273 12.69,274 12.69,275 12.69,276 10.912,277 7.276,278 7.843,279 12.93,280 9.915,281 9.915,282 9.915,283 9.915,284 9.915,285 7.324,286 2.941,287 3.726,288 10.314,289 3.495,290 1.386,291 0.711,292 0.375,293 0.25,294 0.25,295 3.644,299 1,300 1,301 332,302 2.449,305 87.658,306 47.095,309 70.372,313 1.296,314 7.964,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 39,326 150,327 4.509,328 3.118,329 6.512,330 3.986,331 3.045,332 4.457,334 10.214,335 2.865,336 3.92,337 2.734,338 5.353,339 3.494,340 2.542,341 3.479,343 6.998,344 2.418,345 3.499,346 2.286,347 5.203,348 3.11,349 2.131,350 2.876,352 6.25,353 2.084,354 3.048,355 1.591,356 4.137,357 2.549,358 1.555,359 2.321,361 3.707,362 1.546,363 2.761,364 1.548,365 3.7,366 2.514,367 1.546,368 1.82,370 3.249,371 1.493,372 2.5,373 1.234,374 3.433,375 2.14,376 1.151,377 1.5,379 2.513,380 1.137,381 2.441,382 1,383 3.368,384 1.923,385 1,386 1.429,388 2.231,389 0.921,390 2.118,391 0.774,392 3.119,393 1.649,394 0.685,395 0.927,397 1.645,398 0.658,399 2.056,400 0.618,401 3,402 1.591,403 0.618,404 0.905,406 1.372,407 0.6,408 1.486,409 0.268,410 2.701,411 1.228,412 0.25,413 0.304,415 0.571,416 0.244,417 0.914,418 -0.226,419 2.333,420 0.589,421 -0.396,422 -0.487,424 -0.948,425 -0.389,426 0.5,427 -0.756,428 2.058,429 0.103,430 -0.879,431 -1.073,433 -2.068,434 -0.86,435 0.372,436 -1,437 1.691,438 -0.05,439 -1,440 -1.5,442 -2.43,443 -0.948,444 -0.061,445 -1.228,446 1.502,447 -0.397,448 -1.389,449 -1.649,451 -3.027,452 -1.376,453 -0.118,454 -1.593,455 1.162,456 -0.654,457 -1.599,458 -2.037,460 -4.361,461 -1.492,462 8.4,463 0.467,464 0.239,465 0.013,466 23.75,467 1.319,468 12,469 0.667,470 11.75,471 0.653,472 11.885,473 0.66,474 19.2,475 0.6,476 12.78,477 0.71,478 4.593,479 0.255,480 4.34,481 0.241,484 0.226,487 0.616,488 1.216,489 0.742,490 1.106,491 0.494,492 0.97,493 0.729,494 1.099,495 0.9,496 1.116,497 0.693,498 1.05,499 0.838,500 0.937,501 0.977,502 1.027,503 0.76,504 1.026,505 0.939,506 0.995,507 1.102,508 1.122,509 0.982,510 1.137,511 1.033,512 0.904,513 1.16,514 1.068,515 1.181,516 1.125,517 1.086,518 0.87,519 1.076,520 0.942,521 1.152,522 0.997,523 0.787,524 0.895,525 0.92,526 0.975,527 0.929,528 0.971,529 0.97,530 1.165,531 0.713,532 0.858,533 0.993,534 0.759,535 2,536 0.005,537 1.556,538 0.66,539 0.418,540 0.139,541 0.131,542 0.106,543 0.072,544 0.045,545 3368,546 9343,547 2.189,548 43.8,549 4,550 3,552 2,553 1,554 4,558 1.578,559 2.16,560 3.05,561 -0.171,563 1,564 1,565 1,567 48.168,568 1.505,569 3.614,570 4.289,571 4.625,572 4.75,573 4.75,574 2.394,575 3.614,576 4.146,577 3.226,578 493.653,579 6.991,580 4893.47,581 1,582 1,584 1,585 160,586 0.764,587 4.146,588 0.1,589 0.001,590 0.06,591 0.031,592 0.023,593 0.011,594 0.011,595 0.009,596 0.006,597 0.004,598 0.255,599 0.5,600 1,602 78.075,603 0.29,604 0.039,605 0.087,606 -0.052,607 0.323,608 -0.023,609 0.177,610 0.027,611 -0.015,612 -0.091,613 0.148,614 -0.087,615 -0.091,616 0.016,617 -0.038,618 0.024,619 -0.039,620 0.005,621 -0.14,622 -0.063,623 -0.15,624 -0.1,625 -0.155,626 -0.123,627 -0.174,628 -0.032,629 -0.17,630 -0.081,631 -0.274,632 -0.118,633 -0.174,635 -0.073,636 0.027,637 -0.216,638 -0.001,639 0.133,640 -0.003,641 0.078,642 -0.002,643 0.02,644 0.024,645 0.199,646 -0.229,647 0.31,648 0.032,649 0.22,650 0.165,651 0.879,652 1.161,653 0.778,654 11.778,655 1.005,656 1.145,657 2.443,658 5.968,659 0.659,660 3.045,661 3.296,662 3.555,663 3.784,664 3.761,665 3.738,666 3.761,667 3.807,668 3.664,669 3.714,670 5.332,671 0.632,672 242.32,673 3.045,674 4.533,675 5.361,676 6.205,677 7.047,678 7.896,679 8.744,680 9.596,681 10.448,682 11.303,683 18.8,691 2,693 4,698 1,699 5,700 4,701 1,704 2,706 15,724 32,726 15,728 20,730 34,731 12,733 8,739 3,740 4,751 4,753 8,754 4,769 1,772 14,773 4,774 1,775 6,778 1,779 6,784 0.667,795 1,801 2,802 1,805 1,832 2,840 18,846 4,869 8.333,870 5.667,871 4.056,872 2.012,874 2.701,875 1.426,876 1.001,877 3.22,878 9.037,879 3.35,880 3.942,881 4.559,882 5.148,883 5.402,884 5.627,885 5.903,886 6.196,887 5.777,888 5.988,889 1,890 21,891 6.584,893 2.704,894 7.583,895 12.774,897 10.278,899 2.083,900 37.5,901 0.002,904 153.024,905 63.462,906 84.479,911 63.462,912 153.024,913 84.479,915 10.138,916 28.429,917 98.813,918 29.202,919 4.901,920 129.482,922 153.024,923 147.941,927 155.352,931 45.631,932 33.33,933 66.652,935 153.024,936 84.479,937 63.462,940 153.024,941 17.367,942 47.381,943 16.54,944 66.652,945 153.024,946 84.479,947 63.462,949 0.559,950 0.329,951 0.184,952 0.077,953 13,954 4,955 0.147,956 5,957 1,958 1.143,959 3.298,960 122.57,961 0.143,962 14,963 75.059,968 11.209,969 5.171,970 2.529,971 1.144,972 66.652,973 10.025,974 15.567,975 2.486,978 2.078,980 16.54,981 300.965,982 27.5,994 32.145,995 36.651,996 0.301,997 0.723,998 0.858,999 0.925,1000 0.95,1001 0.95,1002 4.519,1003 0.685,1004 5.283,1005 2.231,1006 3.97,1007 4.625,1009 6.019,1010 3.89,1011 5.692,1012 0.618,1013 6.781,1014 1.645,1015 3.219,1016 4.227,1018 6.783,1019 3.046,1020 6.97,1021 0.25,1022 8.388,1023 1.372,1024 5.468,1025 6.858,1027 9.901,1028 5.287,1029 8.297,1030 -0.396,1031 10.067,1032 0.571,1033 5.707,1034 7.496,1036 11.626,1037 5.412,1038 9.665,1039 -0.879,1040 11.795,1041 -0.948,1042 7.272,1043 9.429,1045 14.202,1046 6.969,1047 11.062,1048 -1,1049 13.558,1050 -2.068,1051 7.972,1052 10.533,1054 16.289,1055 7.559,1056 12.482,1057 -1.389,1058 15.346,1059 -2.43,1060 9.259,1061 12.197,1063 18.701,1064 8.824,1065 3.045,1066 -1.599,1067 17.152,1068 -3.027,1069 10.177,1070 13.515,1072 20.928,1073 9.644,1074 2.542,1075 10.214,1076 18.972,1077 -4.361,1078 11.351,1079 15.073,1081 23.286,1082 10.782,1083 2.131,1084 6.998,1085 20.802,1086 4.457,1087 12.369,1088 16.487,1090 25.569,1091 11.715,1092 1.555,1093 6.25,1094 22.64,1095 3.479,1096 13.499,1097 18.003,1099 27.906,1100 12.797,1101 1.546,1102 3.707,1103 24.485,1104 2.876,1105 14.565,1106 19.46,1108 30.212,1109 13.787,1110 1.151,1111 3.249,1112 26.335,1113 2.321,1114 15.679,1115 20.961,1117 32.542,1118 14.847,1119 1,1120 2.513,1121 28.19,1122 1.82,1123 16.766,1124 22.437,1126 34.858,1127 15.865,1128 3179,1129 5409,1130 14.099,1131 21.08,1132 29.177,1133 28.981,1134 29.047,1135 29.067,1136 29.046,1137 40.035,1139 77.497,1140 27.934,1141 5.41,1142 5.118,1143 6.228,1144 5.036,1145 5.045,1146 7.457,1148 16.99,1149 4.845,1151 1.459,1152 1.449,1153 1.452,1154 1.453,1155 1.452,1156 2.002,1158 3.875,1159 1.397,1160 4.12,1161 4.17,1162 4.081,1163 3.977,1164 5.257,1165 3.996,1166 3.847,1167 3.94,1168 3.8,1169 3.61,1170 5.05,1171 3.628,1172 3.562,1173 3.643,1174 3.427,1175 3.333,1176 4.375,1177 3.359,1178 3.325,1179 3.389,1180 3.216,1181 3.161,1182 4.057,1183 3.17,1184 3.108,1185 3.191,1186 2.951,1187 2.913,1188 3.765,1189 2.919,1190 2.767,1191 2.855,1192 2.587,1193 2.567,1194 3.746,1195 2.562,1196 2.429,1197 2.551,1198 2.205,1199 2.177,1200 3.461,1201 2.162,1202 2.285,1203 2.399,1204 2.125,1205 2.017,1206 3.28,1207 2.018,1208 0.225,1209 0.156,1210 0.326,1211 0.199,1212 0.152,1213 4.509,1214 0.223,1215 3.118,1217 6.512,1218 0.511,1219 3.986,1220 0.143,1221 3.045,1222 4.457,1224 10.214,1225 2.865,1226 1.95,1227 1.911,1228 2.066,1229 2.088,1230 1.346,1231 2.082,1232 1.681,1233 1.623,1234 1.895,1235 1.848,1236 1.112,1237 1.867,1238 1.382,1239 1.322,1240 1.573,1241 1.625,1242 0.791,1243 1.586,1244 1.23,1245 1.151,1246 1.426,1247 1.578,1248 0.425,1249 1.524,1250 1.069,1251 0.952,1252 1.239,1253 1.469,1254 0.3,1255 1.453,1256 1.012,1257 0.925,1258 1.221,1259 1.199,1260 0.237,1261 1.214,1262 0.821,1263 0.734,1264 1.093,1265 1.1,1267 1.105,1268 0.494,1269 0.392,1270 0.839,1271 0.783,1273 0.816,1274 3.714,1276 4.977,1277 3.045,1278 6.425,1279 5.209,1280 7.969,1281 7.14,1282 9.568,1290 4.068,1300 20.236,1301 48.168,1302 115.635,1303 137.245,1304 148,1305 152,1306 152,1307 17.194,1308 6.337,1309 71.76,1310 71.76,1311 16,1312 11.858,1313 4,1314 3.087,1315 26.023,1316 58,1317 46,1318 0.219,1319 126.9,1320 196.54,1321 301.395,1322 4482,1324 12.209,1325 0.678,1326 0.553,1327 12.209,1328 9.951,1329 8.933,1330 0.447,1331 0.303,1332 5.958,1333 8.494,1334 5.875,1335 4.892,1336 8.933,1337 6.056,1338 7.481,1339 0.288,1340 0.163,1341 7.481,1342 4.241,1343 6.385,1344 0.188,1345 0.088,1346 6.385,1347 3.005,1348 5.398,1349 0.126,1350 0.049,1351 5.398,1352 2.088,1353 3.514,1354 0.084,1355 0.03,1356 3.514,1357 1.273,1358 0.349,1359 56.542,1360 0.266,1361 18.556,1362 0.578,1363 92,1364 270.558,1365 102.574,1366 265.959,1367 371.47,1368 250,1369 106,1370 290.28,1371 117.518,1372 289.901,1373 413.06,1374 272,1375 7.959} {0 CHEMBL543203,1 1.602,2 11.556,3 3.238,4 10.483,5 104.234,6 7.369,7 0.429,8 4.03,9 4.136,10 3.728,11 3.588,12 5.068,13 3.526,14 4.59,15 4.757,16 3.936,17 3.944,18 5.824,19 3.848,20 4.85,21 5.07,22 3.956,23 4.082,24 5.861,25 3.945,26 4.935,27 5.163,28 3.899,29 4.055,30 5.99,31 3.916,32 4.931,33 5.181,34 3.883,35 4.046,36 5.917,37 3.898,38 4.906,39 5.148,40 3.88,41 4.049,42 5.9,43 3.899,44 4.882,45 5.116,46 3.86,47 4.032,48 5.964,49 3.898,50 4.818,51 5.05,52 3.787,53 3.991,54 5.855,55 3.862,56 0.079,57 0.748,58 14.458,59 5.54,60 17.427,61 6.866,62 0.466,63 1.161,64 23.831,65 9.067,66 69.647,67 11.563,68 0.291,69 1.425,70 34.362,71 12.2,72 60.059,73 15.499,74 0.505,75 1.476,76 37.412,77 12.001,78 97.633,79 15.375,80 0.495,81 1.483,82 37.659,83 12,84 81.771,85 15.71,86 0.453,87 1.446,88 37.711,89 12.087,90 81.397,91 15.72,92 0.545,93 1.391,94 35.153,95 11.677,96 95.299,97 15.158,98 0.346,99 1.325,100 31.936,101 11.091,102 67.021,103 14.603,104 24,105 36,106 0.268,107 0.566,108 0.753,109 0.853,110 0.874,111 0.874,112 3.339,113 1.128,114 -3.25,115 -3.24,116 -3.11,118 37.7,120 5,121 1,123 1,124 1,140 7,141 1,142 1,143 2,154 1,168 12,171 2,172 4,175 2,177 1,180 11,186 8,191 4,194 8,198 9,203 4,206 5,210 9,213 1,215 3,218 6,222 7,227 1,229 9,233 2,234 7,239 1,242 11,247 7,255 11,259 6,262 2,267 8,270 1421,271 18.12,272 18.12,273 18.12,274 18.12,275 18.12,276 16.225,277 11.63,278 11.192,279 18.503,280 13.76,281 13.76,282 13.76,283 13.76,284 13.76,285 10.877,286 6.298,287 5.255,288 14.254,289 4.125,290 2.343,291 1.229,292 0.632,293 0.505,294 0.505,295 4.005,299 1,300 1,301 635,302 4.583,306 219.277,313 1.72,314 35.243,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 59,326 312,327 4.843,328 4.683,329 7.293,330 4.292,331 3.375,332 4.694,333 2.443,334 12.406,335 3.069,336 4.069,337 3.672,338 6.134,339 3.819,340 2.826,341 3.548,342 0.286,343 9.021,344 2.804,345 3.639,346 3.066,347 4.988,348 3.33,349 2.346,350 3.053,352 5.892,353 2.285,354 3.556,355 2.082,356 4.931,357 3.043,358 2.049,359 2.81,361 5.403,362 2.038,363 3.213,364 1.933,365 4.492,366 2.894,367 1.914,368 2.391,370 4.658,371 1.874,372 2.72,373 1.695,374 3.717,375 2.576,376 1.59,377 1.788,379 3.27,380 1.562,381 2.704,382 1.464,383 3.657,384 2.236,385 1.261,386 1.739,388 2.838,389 1.224,390 2.5,391 1.461,392 3.483,393 2.139,394 1.156,395 1.5,397 2.654,398 1.134,399 2.5,400 1.232,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.476,409 1.046,410 3.247,411 1.956,412 1,413 1.461,415 2.136,416 0.953,417 1.936,418 1,419 3.235,420 1.841,421 0.874,422 0.907,424 1.86,425 0.84,426 1.528,427 1,428 2.947,429 1.36,430 0.435,431 0.459,433 0.868,434 0.397,435 1.424,436 0.636,437 2.568,438 1.12,439 0.178,440 0.2,442 0.28,443 0.166,444 1,445 0.189,446 2.44,447 0.693,448 -0.323,449 -0.361,451 -0.686,452 -0.324,453 0.884,454 0.043,455 2.279,456 0.233,457 -0.725,458 -0.963,460 -1.629,461 -0.675,462 12.967,463 0.48,464 0.56,465 0.021,466 32.5,467 1.204,468 16.5,469 0.611,470 16,471 0.593,472 23.276,473 0.862,474 30.833,475 0.582,476 24.46,477 0.906,478 6.164,479 0.228,480 6.862,481 0.254,482 0.116,483 0.064,484 0.154,487 0.562,488 1.394,489 0.874,490 1.341,491 0.609,492 1.089,493 0.669,494 1.097,495 0.96,496 1.05,497 0.536,498 1.076,499 0.846,500 1.153,501 1.081,502 1.154,503 0.823,504 1.056,505 1.268,506 1.085,507 1.152,508 1.04,509 1.347,510 1.058,511 1.043,512 0.928,513 1.053,514 0.945,515 1.032,516 0.951,517 1.016,518 0.983,519 1.106,520 1.034,521 1.034,522 0.978,523 1.053,524 0.899,525 1.033,526 0.931,527 1.156,528 0.953,529 0.944,530 1.03,531 0.989,532 1.021,533 0.989,534 1.014,535 5,536 0.14,537 3.111,538 1.375,539 0.68,540 0.785,541 0.508,542 0.316,543 0.238,544 0.154,545 8592,546 26039,547 1.966,548 49.1,549 8,550 12,552 2,553 1,554 2,555 1,558 1.704,559 1.851,560 3.477,561 -0.309,562 1,563 1,567 84.93,568 1.602,569 3.385,570 4.498,571 5.096,572 5.223,573 5.223,574 2.936,575 4.032,576 4.722,577 3.666,578 1286.61,579 8.216,580 17483.8,582 1,584 1,585 303.58,586 1.382,587 4.682,588 0.179,589 0.006,590 0.086,591 0.038,592 0.021,593 0.025,594 0.016,595 0.01,596 0.007,597 0.005,598 0.394,599 0.33,600 0.88,601 1.817,602 136.009,603 0.084,604 -0.139,605 0.208,606 -0.09,607 -0.079,609 0.237,610 0.016,611 -0.005,612 -0.004,613 0.235,614 -0.07,615 -0.039,616 -0.129,617 -0.023,618 -0.073,619 0.011,620 -0.034,621 -0.182,622 -0.093,623 -0.121,624 -0.049,625 -0.147,626 -0.094,627 -0.101,628 0.068,629 -0.026,630 0.035,631 -0.076,632 0.019,633 -0.098,634 0.007,635 -0.035,636 0.001,637 -0.066,638 0.015,639 -0.055,640 0.079,641 -0.044,642 0.049,643 -0.063,644 0.026,645 -0.077,646 -0.05,647 -0.057,648 -0.047,649 -0.074,650 -0.019,651 4.461,652 5.474,653 0.444,654 27.69,655 1.004,656 1.127,657 2.024,658 4.095,659 0.653,660 3.367,661 3.611,662 3.761,663 3.85,664 3.989,665 3.912,666 3.97,667 3.932,668 3.97,669 3.97,670 6.944,671 0.612,672 390.55,673 3.367,674 4.86,675 5.652,676 6.482,677 7.296,678 8.134,679 8.959,680 9.801,681 10.633,682 11.479,683 3.8,685 1,693 1,699 9,700 1,704 2,706 12,724 53,726 15,727 1,728 28,730 54,731 20,733 11,734 1,735 5,739 2,740 2,751 5,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 26,773 6,774 1,775 7,776 1,779 2,784 1,785 4,795 1,802 2,819 1,832 2,834 1,836 1,840 27,844 1,846 6,847 1,848 1,850 1,862 7.5,865 3,867 1,869 14.583,870 9.367,871 6.236,872 3.189,874 1.699,875 1.263,876 0.932,877 8.6,878 8.166,879 3.638,880 4.143,881 4.516,882 4.888,883 5.309,884 5.159,885 5.402,886 5.231,887 5.455,888 5.739,889 0.875,890 36,891 10.228,893 4.39,894 7.954,895 19.083,897 15.252,899 2.454,900 66.25,903 1,904 294.278,905 127.825,906 33.191,908 80.458,910 5.807,911 122.018,912 374.735,913 33.191,914 10.883,915 14.778,916 88.546,917 116.977,918 33.831,920 270.735,922 294.278,923 155.208,924 80.458,925 5.807,927 282.506,928 92.229,931 49.278,932 89.144,933 22.593,935 294.278,936 113.648,937 127.825,939 5.807,940 294.278,941 26.706,942 95.312,943 16.405,944 97.243,945 294.278,946 113.648,947 127.825,949 0.56,950 0.313,951 0.148,952 0.077,953 13,954 6,955 0.222,956 12,958 1,959 3.918,960 204.088,962 12,963 122.382,967 1,968 21.238,969 10.933,970 7.221,972 113.648,973 15.631,974 4.148,978 1.259,980 16.405,981 535.751,982 37,986 -3.545,987 36.119,991 -0.2,994 53.192,995 59.737,996 0.28,997 0.591,998 0.785,999 0.89,1000 0.912,1001 0.912,1002 4.828,1003 1.156,1004 5.624,1005 2.838,1006 4.29,1007 4.828,1008 2.402,1009 6.392,1010 4.22,1011 6.012,1012 1,1013 7.168,1014 2.654,1015 3.892,1016 4.771,1017 2.243,1018 7.609,1019 3.727,1020 7.326,1021 1,1022 8.845,1023 2.136,1024 5.889,1025 7.042,1026 3.841,1027 10.59,1028 5.71,1029 8.692,1030 0.874,1031 10.613,1032 2.136,1033 6.399,1034 7.9,1035 4.269,1036 12.705,1037 6.082,1038 10.106,1039 0.435,1040 12.443,1041 1.86,1042 7.87,1043 9.693,1044 5.486,1045 15.32,1046 7.533,1047 11.554,1048 0.178,1049 14.315,1050 0.868,1051 8.779,1052 10.941,1053 6.158,1054 17.707,1055 8.297,1056 13.03,1057 -0.323,1058 16.217,1059 0.28,1060 10.064,1061 12.573,1062 7.208,1063 20.241,1064 9.537,1065 3.375,1066 -0.725,1067 18.14,1068 -0.686,1069 11.145,1070 13.989,1071 7.992,1072 22.712,1073 10.484,1074 2.826,1075 12.406,1076 20.077,1077 -1.629,1078 12.369,1079 15.564,1080 8.963,1081 25.228,1082 11.638,1083 2.346,1084 9.021,1085 22.025,1086 4.694,1087 13.522,1088 17.052,1089 9.802,1090 27.727,1091 12.668,1092 2.049,1093 5.892,1094 23.982,1095 3.548,1096 14.729,1097 18.607,1098 10.734,1099 30.241,1100 13.789,1101 1.914,1102 5.403,1103 25.944,1104 3.053,1105 15.912,1106 20.127,1107 11.599,1108 32.751,1109 14.859,1110 1.59,1111 4.658,1112 27.911,1113 2.81,1114 17.117,1115 21.675,1116 12.512,1117 35.266,1118 15.969,1119 1.261,1120 3.27,1121 29.882,1122 2.391,1123 18.315,1124 23.209,1125 13.391,1126 37.781,1127 17.057,1128 8708,1129 15299,1130 18.257,1131 34.614,1132 39.858,1133 41.74,1134 41.026,1135 39.955,1136 40.003,1137 52.097,1138 5.458,1139 106.839,1140 38.693,1141 5.804,1142 6.683,1143 7.095,1144 5.333,1145 5.375,1146 7.694,1147 4.174,1148 19.571,1149 5.069,1150 13.66,1151 1.423,1152 1.491,1153 1.465,1154 1.427,1155 1.429,1156 1.861,1157 0.195,1158 3.816,1159 1.382,1160 4.079,1161 4.068,1162 4.735,1163 4.063,1164 7.717,1165 3.975,1166 3.912,1167 3.945,1168 3.849,1169 3.828,1170 7.432,1171 3.823,1172 3.742,1173 3.791,1174 3.676,1175 3.601,1176 6.999,1177 3.594,1178 3.647,1179 3.667,1180 3.622,1181 3.552,1182 4.896,1183 3.491,1184 3.522,1185 3.546,1186 3.42,1187 3.35,1188 4.716,1189 3.342,1190 3.308,1191 3.355,1192 3.167,1193 3.093,1194 4.502,1195 3.096,1196 3.095,1197 3.179,1198 2.858,1199 2.866,1200 4.192,1201 2.847,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.994,1207 2.715,1208 0.173,1209 0.167,1210 0.26,1211 0.153,1212 0.121,1213 4.843,1214 0.168,1215 4.683,1216 0.087,1217 7.293,1218 0.443,1219 4.292,1220 0.11,1221 3.375,1222 4.694,1223 2.443,1224 12.406,1225 3.069,1226 1.965,1227 1.968,1228 2.068,1229 2.055,1230 1.419,1231 2.087,1232 1.896,1233 1.861,1234 1.995,1235 1.993,1236 1.223,1237 2.017,1238 1.73,1239 1.678,1240 1.938,1241 1.899,1242 1.139,1243 1.914,1244 1.553,1245 1.529,1246 1.746,1247 1.748,1248 0.895,1249 1.76,1250 1.43,1251 1.417,1252 1.608,1253 1.655,1254 0.787,1255 1.668,1256 1.246,1257 1.202,1258 1.514,1259 1.495,1260 0.589,1261 1.531,1262 1.097,1263 1.012,1264 1.253,1265 1.329,1266 0.542,1267 1.373,1268 0.886,1269 0.821,1270 1.181,1271 1.107,1272 0.388,1273 1.138,1274 4.043,1276 5.303,1278 6.758,1280 8.296,1282 9.88,1284 1.389,1290 4.071,1291 2.712,1292 4.641,1294 0.023,1300 32.411,1301 84.93,1302 179.399,1303 238.419,1304 270.07,1305 276.825,1306 276.825,1307 80.335,1308 6.468,1309 85.36,1310 93.74,1311 12,1312 12.044,1313 4,1314 3.322,1315 58.223,1316 105,1317 132,1318 0.25,1319 208.043,1320 365.23,1321 499.385,1322 4686,1324 19.537,1325 0.724,1326 0.604,1327 19.787,1328 16.321,1329 13.026,1330 0.465,1331 0.376,1332 9.052,1333 11.763,1334 8.711,1335 7.294,1336 13.847,1337 10.525,1338 11.172,1339 0.31,1340 0.225,1341 12.495,1342 8.091,1343 8.655,1344 0.206,1345 0.139,1346 9.746,1347 5.83,1348 6.147,1349 0.134,1350 0.086,1351 7.021,1352 3.939,1353 4.734,1354 0.089,1355 0.053,1356 5.548,1357 2.807,1358 0.397,1359 89.987,1360 0.234,1361 26.366,1362 0.674,1363 128,1364 419.781,1365 177.166,1366 418.135,1367 546.08,1368 384,1369 142,1370 348.834,1371 196.711,1372 389.341,1373 553.2,1374 362,1375 5} {0 CHEMBL543255,1 1.423,2 9.316,3 3.173,4 10.065,5 74.997,6 7.451,7 0.6,8 3.595,9 3.698,10 3.148,11 3.205,12 4.799,13 3.171,14 4.044,15 4.196,16 3.434,17 3.543,18 5.306,19 3.48,20 4.251,21 4.426,22 3.405,23 3.651,24 5.358,25 3.548,26 4.368,27 4.6,28 3.21,29 3.575,30 5.383,31 3.437,32 4.205,33 4.446,34 3.226,35 3.472,36 5.243,37 3.355,38 4.122,39 4.334,40 3.081,41 3.333,42 5.28,43 3.218,44 3.972,45 4.248,46 2.727,47 3.034,48 4.948,49 2.895,50 3.45,51 3.676,52 2.505,53 2.722,54 4.42,55 2.617,56 0.022,57 0.423,58 6.493,59 3.194,60 7.937,61 3.985,62 0.143,63 0.664,64 11.111,65 5.039,66 31.678,67 6.61,68 0.056,69 0.801,70 14.084,71 6.42,72 19.325,73 8.423,74 0.208,75 0.846,76 18.122,77 7.235,78 47.814,79 9.517,80 0.081,81 0.75,82 14.913,83 6.181,84 21.652,85 8.528,86 0.112,87 0.669,88 13.651,89 5.494,90 30.993,91 7.176,92 0.153,93 0.577,94 12.918,95 4.573,96 32.348,97 6.293,98 0.04,99 0.356,100 6.774,101 2.692,102 10.869,103 3.691,104 13,105 26,106 0.262,107 0.614,108 0.752,109 0.814,110 0.814,111 0.814,112 3.008,113 0.907,114 -3.68,115 -3.64,116 -3.47,118 47.1,119 1,120 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 16,181 2,186 3,191 2,194 14,195 1,198 2,203 1,206 12,207 2,210 3,215 2,218 9,219 2,222 4,227 2,229 5,230 1,234 3,239 1,242 4,243 1,247 2,252 1,255 3,256 1,259 2,264 1,267 2,268 2,270 398,271 12.637,272 12.637,273 12.637,274 12.637,275 12.637,276 10.759,277 10.716,278 7.693,279 12.716,280 9.874,281 9.874,282 9.874,283 9.874,284 9.874,285 7.175,286 12.47,287 3.697,288 9.979,289 3.665,290 1.754,291 1.008,292 0.669,293 0.669,294 0.669,295 3.667,298 1,299 1,300 1,301 364,302 3.082,306 135.38,313 1.773,314 15.147,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 40.5,326 177,327 4.18,328 3.593,329 5.822,330 3.783,331 2.783,332 3.753,333 1.437,334 7.993,335 2.78,336 4,337 2.977,338 5.596,339 3.642,340 2.642,341 3.476,342 0.68,343 7.632,344 2.635,345 3.798,346 2.555,347 5.261,348 3.375,349 2.378,350 3.269,352 6.565,353 2.367,354 3.396,355 2.232,356 4.936,357 3.015,358 2.02,359 2.676,361 5.762,362 2.007,363 2.871,364 1.84,365 3.606,366 2.36,367 1.421,368 2.025,370 3.045,371 1.331,372 2.659,373 1.487,374 3.507,375 2.063,376 1.056,377 1.515,379 2.41,380 1.046,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.5,391 1,392 3.247,393 1.984,394 1,395 1.5,397 2.136,398 0.983,399 1.462,400 0.479,401 2.83,402 1.201,403 0.206,404 0.247,406 0.502,407 0.205,408 0.989,409 0.412,410 2.348,411 0.689,412 -0.303,413 -0.37,415 -0.751,416 -0.3,417 0.638,418 -0.093,419 2,420 0.204,421 -0.789,422 -1.05,424 -1.852,425 -0.782,426 0.5,427 -0.568,428 1.694,430 -1,431 -1.271,433 -2,434 -0.946,435 0.5,436 -1,437 1.555,439 -1,440 -1.5,442 -2.347,443 -0.961,444 0.426,445 -1,446 1.424,447 -0.049,448 -1,449 -1.5,451 -2.872,452 -1,453 0.243,454 -1.011,455 1.193,456 -0.183,457 -1.177,458 -1.612,460 -3,461 -1.171,462 9.067,463 0.477,464 0.438,465 0.023,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 11.621,473 0.612,474 19.733,475 0.58,476 16.879,477 0.888,478 5.457,479 0.287,480 3.691,481 0.194,482 0.129,484 0.276,487 0.749,488 1.043,489 0.807,490 0.955,491 0.735,492 0.902,493 0.448,494 0.989,495 0.845,496 0.974,497 0.394,498 0.962,499 0.673,500 1.185,501 1.102,502 1.254,503 0.668,504 1.242,505 1.112,506 0.903,507 1.108,508 0.961,509 1.193,510 1.031,511 0.538,512 0.924,513 0.805,514 0.958,515 0.49,516 0.923,517 1.098,518 1.169,519 1.116,520 1.173,521 1.132,522 1.158,523 1.089,524 0.838,525 0.94,526 0.799,527 1.069,528 0.837,529 0.701,530 1.081,531 0.962,532 1.073,533 0.658,534 1.047,535 4,536 0.07,537 1.556,538 0.688,539 0.853,540 0.299,541 0.322,542 0.198,543 0.086,544 0.106,545 3416,546 10420,547 1.995,548 44.1,549 5,550 7,552 2,553 1,558 1.595,559 1.869,560 3.225,561 -0.353,563 1,565 1,567 48.37,568 1.423,569 3.333,570 4.08,571 4.418,572 4.418,573 4.418,574 2.76,575 3.722,576 4.217,577 3.377,578 577.463,579 7.147,580 5903.21,581 1,582 1,584 1,585 172.974,586 1.384,587 4.178,588 0.2,589 0.008,590 0.06,591 0.029,592 0.045,593 0.015,594 0.02,595 0.018,596 0.01,597 0.012,598 0.416,599 0.83,600 1,601 1.315,602 84.437,603 -0.061,605 0.004,606 0.046,607 -0.094,608 0.034,609 0.213,610 0.041,611 0.013,612 0.015,613 0.237,614 -0.007,615 -0.042,616 -0.202,617 -0.228,618 -0.263,619 -0.016,620 -0.27,621 -0.143,622 0.015,623 -0.121,624 0.028,625 -0.172,626 -0.035,627 0.067,628 0.03,629 0.148,630 0.032,631 0.106,632 0.093,633 -0.082,634 -0.232,635 -0.142,636 -0.199,637 -0.082,638 -0.186,639 -0.078,640 0.112,641 0.11,642 0.158,643 -0.081,644 0.161,645 0.004,646 -0.078,647 -0.014,648 -0.113,649 -0.017,650 -0.068,651 2.555,652 3.738,653 0.632,654 16.26,655 0.998,656 1.112,657 2.446,658 5.983,659 0.684,660 3.045,661 3.296,662 3.434,663 3.555,664 3.761,665 3.611,666 3.714,667 3.807,668 3.714,669 3.611,670 5.66,671 0.651,672 253.32,673 3.045,674 4.533,675 5.323,676 6.146,677 6.956,678 7.78,679 8.597,680 9.422,681 10.242,682 11.068,683 2.9,693 1,699 8,700 1,704 3,706 12,724 34,726 14,727 1,728 20,730 35,731 16,733 11,734 2,735 4,736 3,739 2,740 2,745 1,751 1,753 14,754 2,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 19,845 1,846 1,862 5.9,864 1,865 1,869 10.167,870 6.317,871 4.278,872 1.899,874 2.625,875 1.43,876 0.935,877 4.219,878 8.73,879 3.367,880 3.912,881 4.382,882 4.844,883 5.39,884 5.403,885 5.784,886 6.192,887 6.386,888 6.567,889 1,890 24,891 6.966,893 2.829,894 7.912,895 13.124,897 10.22,899 2.412,900 45.833,901 0.001,904 164.795,905 109.44,906 16.786,908 67.828,911 109.44,912 232.624,913 16.786,914 8.825,915 2.535,916 66.334,917 109.066,918 30.837,920 141.253,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 29.455,932 70.51,933 26.262,935 164.795,936 84.614,937 109.44,940 164.795,941 16.187,942 93.254,944 84.614,945 164.795,946 84.614,947 109.44,949 0.57,950 0.311,951 0.144,952 0.083,953 11,954 5,955 0.114,956 4,958 1,959 3.226,960 125.393,962 12,963 72.711,968 13.191,969 6.077,970 3.869,972 84.614,973 15.435,974 3.987,978 3.301,980 42.683,981 358.85,982 28,987 10.738,989 1.665,991 -0.553,994 33.942,995 37.824,996 0.28,997 0.655,998 0.802,999 0.868,1000 0.868,1001 0.868,1002 4.543,1003 1,1004 5.273,1005 2.275,1006 3.97,1007 4.595,1008 1.801,1009 5.958,1010 3.954,1011 5.735,1012 0.206,1013 6.76,1014 2.136,1015 3.434,1016 4.182,1018 6.589,1019 3.426,1020 7.008,1021 -0.303,1022 8.341,1023 0.502,1024 5.451,1025 6.694,1026 2.297,1027 9.579,1028 5.43,1029 8.312,1030 -0.789,1031 9.972,1032 -0.751,1033 5.673,1034 7.011,1036 10.96,1037 5.665,1038 9.641,1039 -1,1040 11.635,1041 -1.852,1042 7.171,1043 9.015,1044 2.933,1045 13.433,1046 7.148,1047 10.986,1048 -1,1049 13.317,1050 -2,1051 7.751,1052 9.692,1054 15.14,1055 7.74,1056 12.345,1057 -1,1058 15.012,1059 -2.347,1060 9.007,1061 11.438,1062 3.621,1063 17.398,1064 8.983,1065 2.783,1066 -1.177,1067 16.717,1068 -2.872,1069 9.777,1070 12.326,1072 19.269,1073 9.762,1074 2.642,1075 7.993,1076 18.428,1077 -3,1078 10.909,1079 13.918,1080 4.33,1081 21.425,1082 10.884,1083 2.378,1084 7.632,1085 20.144,1086 3.753,1087 11.783,1088 14.942,1090 23.385,1091 11.764,1092 2.02,1093 6.565,1094 21.865,1095 3.476,1096 12.852,1097 16.435,1098 5.048,1099 25.491,1100 12.826,1101 1.421,1102 5.762,1103 23.588,1104 3.269,1105 13.783,1106 17.55,1108 27.498,1109 13.762,1110 1.056,1111 3.045,1112 25.315,1113 2.676,1114 14.82,1115 18.979,1116 5.769,1117 29.581,1118 14.793,1119 1,1120 2.41,1121 27.044,1122 2.025,1123 15.785,1124 20.157,1126 31.614,1127 15.76,1128 3470,1129 6128,1130 13.118,1131 23.245,1132 29.532,1133 29.848,1134 29.638,1135 29.029,1136 29.011,1137 39.921,1138 4.233,1139 76.639,1140 28.706,1141 4.927,1142 5.593,1143 5.624,1144 4.819,1145 4.783,1146 6.753,1147 2.873,1148 13.826,1149 4.78,1150 9.362,1151 1.477,1152 1.492,1153 1.482,1154 1.451,1155 1.451,1156 1.996,1157 0.212,1158 3.832,1159 1.435,1160 3.993,1161 4.021,1162 3.931,1163 3.938,1164 7.475,1165 3.932,1166 3.825,1167 3.861,1168 3.763,1169 3.736,1170 6.351,1171 3.737,1172 3.617,1173 3.641,1174 3.549,1175 3.488,1176 4.908,1177 3.494,1178 3.137,1179 3.19,1180 3.037,1181 2.978,1182 4.735,1183 2.979,1184 2.995,1185 3.038,1186 2.815,1187 2.735,1188 4.202,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.875,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.633,1200 3.674,1201 2.678,1202 2.719,1203 2.795,1204 2.548,1205 2.541,1206 3.674,1207 2.536,1208 0.209,1209 0.18,1210 0.291,1211 0.189,1212 0.139,1213 4.18,1214 0.188,1215 3.593,1216 0.072,1217 5.822,1218 0.4,1219 3.783,1220 0.139,1221 2.783,1222 3.753,1223 1.437,1224 7.993,1225 2.78,1226 1.975,1227 1.95,1228 2.084,1229 2.051,1230 1.241,1231 2.064,1232 1.81,1233 1.777,1234 1.932,1235 1.925,1236 1.019,1237 1.929,1238 1.577,1239 1.548,1240 1.763,1241 1.741,1242 0.83,1243 1.743,1244 1.118,1245 1.058,1246 1.39,1247 1.314,1248 0.527,1249 1.34,1250 0.886,1251 0.821,1252 1.181,1253 1.267,1254 0.218,1255 1.228,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.86,1263 0.814,1264 1.172,1265 1.062,1266 0.207,1267 1.107,1268 0.698,1269 0.639,1270 0.939,1271 0.947,1273 0.971,1274 3.714,1276 4.977,1278 6.425,1280 7.946,1282 9.502,1284 1.59,1289 8.819,1290 0.852,1300 22.139,1301 48.37,1302 113.325,1303 138.709,1304 150.219,1305 150.219,1306 150.219,1307 29.447,1308 6.105,1309 50.19,1310 50.19,1311 12,1312 11.645,1313 3.907,1314 3.17,1315 33.942,1316 66,1317 51,1318 0.262,1319 140.829,1320 246.3,1321 335.382,1322 3036,1324 13.665,1325 0.719,1326 0.563,1327 13.665,1328 10.706,1329 9.148,1330 0.457,1331 0.302,1332 5.998,1333 8.928,1334 5.787,1335 4.87,1336 9.148,1337 6.044,1338 8.083,1339 0.311,1340 0.169,1341 8.083,1342 4.406,1343 6.201,1344 0.207,1345 0.095,1346 6.201,1347 2.858,1348 4.395,1349 0.129,1350 0.052,1351 4.395,1352 1.78,1353 3.679,1354 0.088,1355 0.029,1356 3.679,1357 1.216,1358 0.417,1359 56.542,1360 0.276,1361 19.493,1362 0.698,1363 92,1364 275.53,1365 97.816,1366 272.467,1367 360.12,1368 252,1369 102,1370 250.779,1371 106.654,1372 259.988,1373 367.12,1374 242,1375 6} {0 CHEMBL543256,1 1.423,2 9.316,3 3.173,4 10.065,5 74.997,6 7.451,7 0.6,8 3.595,9 3.698,10 3.148,11 3.205,12 4.799,13 3.171,14 4.044,15 4.196,16 3.434,17 3.543,18 5.304,19 3.48,20 4.251,21 4.426,22 3.41,23 3.645,24 5.363,25 3.543,26 4.373,27 4.613,28 3.209,29 3.557,30 5.394,31 3.424,32 4.162,33 4.389,34 3.23,35 3.455,36 5.228,37 3.343,38 4.14,39 4.366,40 3.079,41 3.319,42 5.289,43 3.208,44 3.935,45 4.201,46 2.715,47 3.038,48 4.917,49 2.901,50 3.47,51 3.689,52 2.51,53 2.765,54 4.428,55 2.645,56 0.022,57 0.423,58 6.493,59 3.194,60 7.937,61 3.985,62 0.143,63 0.664,64 11.111,65 5.039,66 31.59,67 6.61,68 0.047,69 0.802,70 14.058,71 6.416,72 18.983,73 8.432,74 0.238,75 0.863,76 18.474,77 6.997,78 50.339,79 9.25,80 0.054,81 0.718,82 13.935,83 5.98,84 18.635,85 8.18,86 0.136,87 0.689,88 14.201,89 5.426,90 33.581,91 7.154,92 0.147,93 0.551,94 12.279,95 4.471,96 30.803,97 6.077,98 0.022,99 0.354,100 6.799,101 2.944,102 9.615,103 4.014,104 13,105 26,106 0.262,107 0.614,108 0.769,109 0.843,110 0.858,111 0.858,112 3.008,113 0.907,114 -3.68,115 -3.64,116 -3.47,118 47.1,119 1,120 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 2,186 4,191 2,194 14,195 1,198 2,203 1,206 11,207 2,210 4,215 2,218 9,219 2,222 4,227 2,229 6,230 1,234 2,239 1,242 4,243 1,247 2,252 1,255 3,256 1,259 2,264 1,267 2,268 1,270 398,271 12.637,272 12.637,273 12.637,274 12.637,275 12.637,276 10.759,277 10.716,278 7.693,279 12.708,280 9.874,281 9.874,282 9.874,283 9.874,284 9.874,285 7.175,286 12.47,287 3.697,288 9.974,289 3.665,290 1.754,291 0.912,292 0.515,293 0.434,294 0.434,295 3.667,298 1,299 1,300 1,301 364,302 3.082,306 135.38,313 1.773,314 15.379,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 40.5,326 177,327 4.18,328 3.593,329 5.822,330 3.783,331 2.783,332 3.753,333 1.437,334 7.993,335 2.779,336 4,337 2.977,338 5.596,339 3.64,340 2.642,341 3.476,342 0.68,343 7.632,344 2.632,345 3.798,346 2.555,347 5.261,348 3.374,349 2.378,350 3.269,352 6.565,353 2.362,354 3.396,355 2.232,356 4.936,357 3.015,358 2.02,359 2.676,361 5.762,362 2.007,363 2.871,364 1.84,365 3.606,366 2.387,367 1.421,368 2.025,370 3.045,371 1.371,372 2.659,373 1.487,374 3.507,375 2.064,376 1.056,377 1.515,379 2.41,380 1.046,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 1.462,400 0.479,401 2.83,402 1.202,403 0.206,404 0.247,406 0.502,407 0.205,408 0.989,409 0.412,410 2.348,411 0.688,412 -0.303,413 -0.37,415 -0.751,416 -0.299,417 0.638,418 -0.093,419 2,420 0.198,421 -0.789,422 -1.05,424 -1.852,425 -0.775,426 0.5,427 -0.568,428 1.694,430 -1,431 -1.271,433 -2,434 -0.961,435 0.5,436 -1,437 1.555,439 -1,440 -1.5,442 -2.347,443 -0.973,444 0.426,445 -1,446 1.424,447 -0.025,448 -1,449 -1.5,451 -2.872,452 -1,453 0.243,454 -1.011,455 1.193,456 -0.192,457 -1.177,458 -1.612,460 -3,461 -1.16,462 9.067,463 0.477,464 0.438,465 0.023,466 26,467 1.368,468 15,469 0.789,470 11,471 0.579,472 11.609,473 0.611,474 19.733,475 0.58,476 16.891,477 0.889,478 5.457,479 0.287,480 3.691,481 0.194,482 0.129,484 0.276,487 0.749,488 1.043,489 0.807,490 0.955,491 0.735,492 0.902,493 0.448,494 0.989,495 0.845,496 0.974,497 0.397,498 0.962,499 0.658,500 1.258,501 1.093,502 1.289,503 0.663,504 1.261,505 1.205,506 0.822,507 1.112,508 0.869,509 1.222,510 0.96,511 0.508,512 1.069,513 0.821,514 1.067,515 0.486,516 1.005,517 1.158,518 1.071,519 1.093,520 1.065,521 1.135,522 1.068,523 1.103,524 0.801,525 0.976,526 0.816,527 1.109,528 0.865,529 0.528,530 1.2,531 0.943,532 1.212,533 0.591,534 1.154,535 4,536 0.07,537 1.556,538 0.688,539 0.853,540 0.299,541 0.322,542 0.198,543 0.086,544 0.106,545 3416,546 10328,547 1.995,548 44.1,549 5,550 7,552 2,553 1,558 1.595,559 1.869,560 3.225,561 -0.353,563 1,565 1,567 48.37,568 1.423,569 3.333,570 4.175,571 4.572,572 4.653,573 4.653,574 2.76,575 3.722,576 4.217,577 3.377,578 577.463,579 7.147,580 5903.21,581 1,582 1,584 1,585 172.974,586 1.384,587 4.178,588 0.2,589 0.008,590 0.06,591 0.029,592 0.045,593 0.015,594 0.02,595 0.018,596 0.01,597 0.012,598 0.416,599 0.83,600 1,601 1.315,602 84.437,603 -0.061,605 0.004,606 0.046,607 -0.094,608 0.034,609 0.213,610 0.041,611 0.013,612 0.015,613 0.234,614 -0.007,615 -0.027,616 -0.277,617 -0.219,618 -0.3,619 -0.011,620 -0.29,621 -0.178,622 0.129,623 -0.109,624 0.101,625 -0.184,626 0.022,627 0.086,628 -0.124,629 0.113,630 -0.072,631 0.115,632 0.008,633 -0.102,634 -0.109,635 -0.099,636 -0.106,637 -0.08,638 -0.102,639 -0.096,640 0.141,641 0.061,642 0.15,643 -0.105,644 0.133,645 0.069,646 -0.256,647 -0.016,648 -0.221,649 0.012,650 -0.147,651 2.556,652 3.737,653 0.632,654 16.26,655 0.998,656 1.112,657 2.446,658 5.983,659 0.684,660 3.045,661 3.296,662 3.434,663 3.555,664 3.761,665 3.611,666 3.714,667 3.807,668 3.714,669 3.611,670 5.66,671 0.651,672 253.32,673 3.045,674 4.533,675 5.323,676 6.146,677 6.956,678 7.78,679 8.597,680 9.422,681 10.242,682 11.068,683 2.9,693 1,699 8,700 1,704 3,706 12,724 34,726 14,727 1,728 20,730 35,731 16,733 11,734 2,735 4,736 3,739 2,740 2,745 1,751 1,753 14,754 2,756 2,761 1,763 1,765 2,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 19,845 1,846 1,862 5.9,864 1,865 1,869 10.167,870 6.317,871 4.278,872 1.899,874 2.625,875 1.43,876 0.935,877 4.219,878 8.73,879 3.367,880 3.912,881 4.382,882 4.844,883 5.39,884 5.403,885 5.784,886 6.192,887 6.386,888 6.567,889 1,890 24,891 6.967,893 2.831,894 7.912,895 13.124,897 10.22,899 2.412,900 45.833,901 0.001,904 164.795,905 109.44,906 16.786,908 67.828,911 109.44,912 232.624,913 16.786,914 8.825,915 2.535,916 66.334,917 109.066,918 30.837,920 141.253,922 164.795,923 126.226,924 67.828,927 164.795,928 67.828,931 29.455,932 70.51,933 26.262,935 164.795,936 84.614,937 109.44,940 164.795,941 16.187,942 93.254,944 84.614,945 164.795,946 84.614,947 109.44,949 0.57,950 0.311,951 0.144,952 0.083,953 11,954 5,955 0.114,956 4,958 1,959 3.226,960 125.393,962 12,963 76.711,968 13.191,969 6.077,970 3.869,972 84.614,973 15.435,974 4.082,978 3.237,980 42.683,981 358.85,982 28,987 10.737,989 1.663,991 -0.556,994 33.942,995 37.824,996 0.28,997 0.655,998 0.821,999 0.899,1000 0.915,1001 0.915,1002 4.543,1003 1,1004 5.273,1005 2.275,1006 3.97,1007 4.595,1008 1.801,1009 5.958,1010 3.954,1011 5.735,1012 0.206,1013 6.76,1014 2.136,1015 3.434,1016 4.182,1018 6.589,1019 3.426,1020 7.008,1021 -0.303,1022 8.341,1023 0.502,1024 5.451,1025 6.694,1026 2.297,1027 9.579,1028 5.428,1029 8.312,1030 -0.789,1031 9.972,1032 -0.751,1033 5.673,1034 7.011,1036 10.96,1037 5.662,1038 9.641,1039 -1,1040 11.635,1041 -1.852,1042 7.171,1043 9.015,1044 2.933,1045 13.433,1046 7.144,1047 10.986,1048 -1,1049 13.317,1050 -2,1051 7.751,1052 9.692,1054 15.14,1055 7.735,1056 12.345,1057 -1,1058 15.012,1059 -2.347,1060 9.007,1061 11.438,1062 3.621,1063 17.398,1064 8.977,1065 2.783,1066 -1.177,1067 16.717,1068 -2.872,1069 9.777,1070 12.326,1072 19.269,1073 9.754,1074 2.642,1075 7.993,1076 18.428,1077 -3,1078 10.909,1079 13.918,1080 4.33,1081 21.425,1082 10.877,1083 2.378,1084 7.632,1085 20.144,1086 3.753,1087 11.783,1088 14.942,1090 23.385,1091 11.756,1092 2.02,1093 6.565,1094 21.865,1095 3.476,1096 12.852,1097 16.435,1098 5.048,1099 25.491,1100 12.817,1101 1.421,1102 5.762,1103 23.588,1104 3.269,1105 13.783,1106 17.55,1108 27.498,1109 13.752,1110 1.056,1111 3.045,1112 25.315,1113 2.676,1114 14.82,1115 18.979,1116 5.769,1117 29.581,1118 14.784,1119 1,1120 2.41,1121 27.044,1122 2.025,1123 15.785,1124 20.157,1126 31.614,1127 15.75,1128 3470,1129 6102,1130 13.118,1131 23.245,1132 29.532,1133 29.848,1134 29.638,1135 29.024,1136 29.011,1137 39.921,1138 4.233,1139 76.639,1140 28.71,1141 4.927,1142 5.593,1143 5.624,1144 4.819,1145 4.783,1146 6.753,1147 2.873,1148 13.826,1149 4.779,1150 9.362,1151 1.477,1152 1.492,1153 1.482,1154 1.451,1155 1.451,1156 1.996,1157 0.212,1158 3.832,1159 1.436,1160 3.992,1161 4.021,1162 3.93,1163 3.936,1164 7.475,1165 3.931,1166 3.825,1167 3.861,1168 3.763,1169 3.735,1170 6.351,1171 3.736,1172 3.618,1173 3.642,1174 3.549,1175 3.49,1176 4.906,1177 3.496,1178 3.155,1179 3.206,1180 3.048,1181 3.022,1182 4.732,1183 3.016,1184 2.998,1185 3.039,1186 2.826,1187 2.735,1188 4.199,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.658,1194 3.859,1195 2.693,1196 2.786,1197 2.862,1198 2.628,1199 2.632,1200 3.748,1201 2.627,1202 2.726,1203 2.807,1204 2.566,1205 2.513,1206 3.674,1207 2.522,1208 0.209,1209 0.18,1210 0.291,1211 0.189,1212 0.139,1213 4.18,1214 0.188,1215 3.593,1216 0.072,1217 5.822,1218 0.4,1219 3.783,1220 0.139,1221 2.783,1222 3.753,1223 1.437,1224 7.993,1225 2.779,1226 1.973,1227 1.948,1228 2.083,1229 2.051,1230 1.238,1231 2.063,1232 1.81,1233 1.776,1234 1.932,1235 1.925,1236 1.015,1237 1.929,1238 1.58,1239 1.55,1240 1.766,1241 1.742,1242 0.834,1243 1.744,1244 1.155,1245 1.1,1246 1.422,1247 1.329,1248 0.568,1249 1.361,1250 0.886,1251 0.821,1252 1.187,1253 1.267,1254 0.234,1255 1.229,1256 0.865,1257 0.814,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.785,1263 0.737,1264 1.036,1265 0.998,1266 0.049,1267 1.025,1268 0.692,1269 0.611,1270 0.952,1271 0.952,1273 0.971,1274 3.714,1276 4.977,1278 6.425,1280 7.946,1282 9.502,1284 1.589,1289 8.818,1290 0.829,1300 22.139,1301 48.37,1302 113.325,1303 141.954,1304 155.464,1305 158.219,1306 158.219,1307 29.651,1308 6.105,1309 50.19,1310 50.19,1311 12,1312 11.645,1313 3.907,1314 3.17,1315 33.942,1316 66,1317 51,1318 0.262,1319 140.829,1320 246.3,1321 335.382,1322 3036,1324 13.665,1325 0.719,1326 0.563,1327 13.665,1328 10.706,1329 9.148,1330 0.457,1331 0.302,1332 5.998,1333 8.931,1334 5.786,1335 4.872,1336 9.148,1337 6.044,1338 8.083,1339 0.311,1340 0.17,1341 8.083,1342 4.412,1343 6.201,1344 0.207,1345 0.094,1346 6.201,1347 2.831,1348 4.395,1349 0.129,1350 0.052,1351 4.395,1352 1.782,1353 3.679,1354 0.088,1355 0.029,1356 3.679,1357 1.208,1358 0.417,1359 56.542,1360 0.276,1361 19.493,1362 0.698,1363 92,1364 275.53,1365 97.816,1366 272.598,1367 360.16,1368 252,1369 102,1370 250.779,1371 106.821,1372 260.282,1373 367.52,1374 242,1375 8.523} {0 CHEMBL543494,1 1.626,2 6.583,3 0.405,4 0.164,5 44.049,6 7.009,7 0.417,8 3.261,9 3.388,10 2.743,11 2.667,12 4.418,13 2.661,14 3.769,15 3.973,16 2.962,17 2.989,18 4.994,19 2.931,20 3.968,21 4.232,22 2.625,23 2.988,24 4.887,25 2.84,26 3.884,27 4.17,28 2.509,29 2.846,30 4.778,31 2.696,32 3.696,33 3.972,34 2.392,35 2.647,36 4.67,37 2.525,38 3.464,39 3.716,40 2.284,41 2.427,42 4.597,43 2.321,44 3.159,45 3.418,46 2.226,47 2.107,48 4.456,49 2.09,50 2.793,51 2.94,52 2.013,53 1.526,54 4.602,55 1.648,56 0.047,57 0.333,58 5.366,59 1.918,60 8.33,61 2.817,62 0.23,63 0.479,64 9.746,65 2.969,66 34.623,67 4.575,68 0.243,69 0.463,70 12.621,71 3.669,72 37.79,73 5.697,74 0.231,75 0.404,76 11.783,77 3.196,78 35.196,79 5.133,80 0.208,81 0.331,82 9.779,83 2.47,84 31.384,85 4.008,86 0.252,87 0.258,88 7.79,89 1.943,90 26.764,91 3.077,92 0.09,93 0.183,94 5.572,95 1.292,96 11.851,97 2.126,98 0.201,99 0.088,100 4.115,101 0.653,102 29.847,103 0.924,104 10,105 14,106 0.34,107 0.691,108 0.854,109 0.889,110 0.889,111 0.889,112 2.589,113 0.991,114 -1.86,115 -1.92,116 -1.93,118 33.3,120 3,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 2,169 1,171 1,172 2,175 1,177 1,180 1,181 1,186 2,191 1,195 1,198 3,203 1,210 1,211 1,221 1,222 1,225 1,235 1,246 1,250 1,270 116,271 7.966,272 7.966,273 7.966,274 7.966,275 7.966,276 7.138,277 7.886,278 5.152,279 8.157,280 5.949,281 5.949,282 5.949,283 5.949,284 5.949,285 4.752,286 4.393,287 2.491,288 6.242,289 2.959,290 1.281,291 0.5,292 0.333,293 0.333,294 0.333,295 3.196,299 1,300 1,301 155,302 2.739,305 36.279,313 1.153,314 12.751,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 27,326 79,327 3.92,328 3.596,329 5.352,330 3.461,331 2.544,332 3.479,333 2.341,334 6.998,335 2.336,336 3.549,337 2.646,338 4.657,339 3.229,340 2.225,341 2.71,343 5.178,344 2.203,345 2.748,346 1.645,347 3.63,348 2.491,349 1.515,350 1.805,352 3.129,353 1.473,354 2.361,355 1.266,356 3.217,357 2.038,358 1.093,359 1.322,361 2.307,362 1.028,363 2.118,364 0.736,365 3,366 1.554,367 0.618,368 0.927,370 1.372,371 0.577,372 1.462,373 0.618,374 2.523,375 1.271,376 0.29,377 0.322,379 0.619,380 0.282,381 0.606,382 0.297,383 1.825,384 0.32,385 -0.658,386 -0.715,388 -1.53,389 -0.623,390 0.328,391 -0.331,392 1.084,393 -0.016,394 -1,395 -1.306,397 -2,398 -0.971,399 -0.073,400 -1.044,401 1,402 -0.376,403 -1.326,404 -1.59,406 -2.913,407 -1.281,408 -0.118,409 -1.607,410 1,411 -0.702,412 -1.618,413 -1.941,415 -4.018,416 -1.476,417 -0.512,418 -1.618,419 0.429,420 -0.752,421 -1.715,422 -2.427,423 -0.757,424 -4.372,425 -1.649,426 -0.888,427 -1.864,428 0.282,429 -1.018,430 -1.967,431 -2.585,432 -1.584,433 -4.77,434 -1.898,462 5.467,463 0.456,464 0.212,465 0.018,466 13.25,467 1.104,468 5.5,469 0.458,470 7.75,471 0.646,472 7.329,473 0.611,474 14.333,475 0.597,476 6.986,477 0.582,478 2.67,479 0.223,480 3.118,481 0.26,482 0.122,484 0.165,487 0.835,488 1.773,489 0.864,490 1.396,491 0.701,492 1.171,493 0.587,494 1.176,495 0.98,496 1.168,497 0.375,498 1.141,499 0.927,500 0.989,501 1.086,502 1.073,503 0.938,504 1.115,505 0.874,506 0.877,507 0.954,508 0.919,509 0.858,510 0.95,511 1.062,512 0.889,513 1.014,514 0.892,515 1.05,516 0.933,517 1.019,518 0.782,519 1.057,520 0.844,521 1.275,522 0.96,523 1.059,524 0.975,525 0.692,526 0.945,527 0.924,528 0.738,529 2.555,530 0.766,531 1.291,532 0.852,533 3.101,534 0.851,535 2,537 0.667,538 0.347,539 0.205,540 0.08,541 0.137,542 0.084,543 0.063,545 909,546 3267,547 1.906,548 50,549 2,550 2,551 1,552 2,553 1,554 2,555 2,558 1.442,559 1.8,560 2.783,561 -0.083,567 39.02,568 1.626,569 3.304,570 4.085,571 4.252,572 4.252,573 4.252,574 2.189,575 2.752,576 3.559,577 2.9,578 191.407,579 5.787,580 1412.07,582 1,585 110.039,586 1.252,587 3.522,588 0.167,590 0.048,591 0.039,592 0.026,593 0.011,594 0.023,595 0.014,596 0.016,598 0.342,599 0.67,600 1,601 2.223,602 44.252,603 -0.094,604 -0.428,605 0.007,606 -0.162,607 -0.044,608 -0.076,609 0.157,610 0.016,611 -0.078,612 -0.114,613 0.244,614 -0.137,615 -0.124,616 -0.067,617 -0.163,618 -0.092,619 -0.117,620 -0.131,621 -0.081,622 -0.013,623 -0.016,624 0.013,625 -0.082,626 0.015,627 -0.146,628 -0.017,629 -0.053,630 0.014,631 -0.144,632 0.006,633 0.081,634 0.106,635 -0.068,636 0.053,637 -0.155,638 -0.043,639 -0.015,640 -0.1,641 0.308,642 -0.067,643 0.134,644 0.184,645 0.065,646 -0.025,647 -0.037,648 -0.136,649 -0.049,650 -0.141,651 2.388,652 3.141,653 0.417,654 6.611,655 1.012,656 1.145,657 0.632,658 0.4,659 0.614,660 2.565,661 2.708,662 2.708,663 2.773,664 2.485,665 2.398,666 2.398,667 2.197,668 1.946,669 1.609,670 4.296,671 0.588,672 168.22,673 2.565,674 3.97,675 4.691,676 5.46,677 6.201,678 6.973,679 7.724,680 8.497,681 9.254,682 10.028,683 8.3,691 1,693 1,699 3,700 1,705 1,706 5,724 24,726 6,728 12,730 24,731 8,733 3,739 1,740 1,751 3,753 4,754 4,756 1,761 1,765 1,772 12,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,840 12,845 1,846 4,862 8.3,864 1,865 1,869 6.667,870 4.017,871 2.833,872 1.444,874 0.955,875 1.2,876 0.862,877 3.644,878 5.717,879 2.803,880 3.188,881 3.446,882 3.819,883 3.38,884 3.346,885 3.446,886 3.446,887 3.446,888 3.446,889 1,890 9,891 4.394,892 0.006,893 1.708,894 8.139,895 8.233,896 0.002,897 6.135,898 0.004,899 2.639,900 31.667,901 0.008,904 129.482,905 37.333,906 18.685,908 67.828,911 37.333,912 197.31,913 18.685,915 9.709,916 9.047,917 117.684,918 10.947,919 11.771,920 94.169,922 129.482,923 56.017,924 67.828,927 105.94,928 91.37,931 29.274,932 9.957,933 16.786,935 129.482,936 86.513,937 37.333,940 129.482,941 10.619,942 28.613,944 84.614,945 129.482,946 86.513,947 37.333,949 0.54,950 0.262,951 0.127,952 0.048,953 5,954 2,955 0.208,956 5,958 1,959 2.54,960 57.115,962 5,963 43.02,968 9.104,969 4.803,970 3.844,972 84.614,973 5.332,974 3.883,979 1.946,980 42.683,981 253.328,982 15.5,987 10.141,991 -0.722,994 24.276,995 27.491,996 0.355,997 0.721,998 0.891,999 0.927,1000 0.927,1001 0.927,1002 3.917,1003 -1,1004 4.575,1005 -1.53,1006 3.367,1007 3.861,1008 2.258,1009 5.118,1010 3.274,1011 5.023,1012 -1.326,1013 5.964,1014 -2,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.233,1021 -1.618,1022 7.444,1023 -2.913,1024 4.691,1025 5.765,1026 3.628,1027 8.408,1028 4.49,1029 7.478,1030 -1.715,1031 8.978,1032 -4.018,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.411,1038 8.753,1039 -1.967,1040 10.549,1041 -4.372,1042 6.244,1043 7.933,1044 5.201,1045 11.992,1046 5.918,1047 10.048,1049 12.145,1050 -4.77,1051 6.666,1052 8.683,1053 5.889,1054 13.616,1055 6.224,1056 11.357,1058 13.759,1060 7.916,1061 10.237,1062 6.849,1063 15.725,1064 7.449,1065 2.544,1067 15.386,1069 8.552,1070 11.213,1071 7.625,1072 17.524,1073 7.963,1074 2.225,1075 6.998,1076 17.022,1078 9.656,1079 12.62,1080 8.526,1081 19.537,1082 9.035,1083 1.515,1084 5.178,1085 18.665,1086 3.479,1087 10.412,1088 13.718,1089 9.342,1090 21.415,1091 9.668,1092 1.093,1093 3.129,1094 20.314,1095 2.71,1096 11.436,1097 15.048,1098 10.216,1099 23.388,1100 10.652,1101 0.618,1102 2.307,1103 21.967,1104 1.805,1105 12.261,1106 16.214,1107 11.051,1108 25.303,1109 11.357,1110 0.29,1111 1.372,1112 23.624,1113 1.322,1114 13.242,1115 17.504,1116 11.912,1117 27.259,1118 12.286,1119 -0.658,1120 0.619,1121 25.284,1122 0.927,1123 14.108,1124 18.706,1125 12.755,1126 29.19,1127 13.037,1128 1000,1129 1943,1130 7.742,1131 14.727,1132 16.814,1133 16.674,1134 16.76,1135 16.587,1136 16.57,1137 21.129,1138 4.682,1139 39.206,1140 15.797,1141 4.808,1142 5.46,1143 5.07,1144 4.479,1145 4.511,1146 6.064,1147 3.925,1148 11.768,1149 4.234,1150 5.536,1151 1.401,1152 1.389,1153 1.397,1154 1.382,1155 1.381,1156 1.761,1157 0.39,1158 3.267,1159 1.316,1160 3.937,1161 4.006,1162 3.867,1163 3.734,1164 7.474,1165 3.757,1166 3.669,1167 3.714,1168 3.557,1169 3.493,1170 6.351,1171 3.498,1172 3.295,1173 3.334,1174 3.164,1175 3.056,1176 4.953,1177 3.073,1178 2.824,1179 2.894,1180 2.622,1181 2.514,1182 4.038,1183 2.534,1184 2.484,1185 2.583,1186 2.266,1187 2.282,1188 3.59,1189 2.267,1190 2.353,1191 2.476,1192 2.091,1193 1.982,1194 3.334,1195 1.99,1196 2.085,1197 2.223,1198 1.804,1199 1.697,1200 3.058,1201 1.68,1202 1.966,1203 2.087,1204 1.643,1205 1.5,1206 2.534,1207 1.452,1208 0.327,1209 0.3,1210 0.446,1211 0.288,1212 0.212,1213 3.92,1214 0.29,1215 3.596,1216 0.195,1217 5.352,1218 0.583,1219 3.461,1220 0.195,1221 2.544,1222 3.479,1223 2.341,1224 6.998,1225 2.336,1226 1.752,1227 1.692,1228 1.978,1229 1.948,1230 1.305,1231 1.959,1232 1.483,1233 1.428,1234 1.68,1235 1.73,1236 0.887,1237 1.713,1238 1.299,1239 1.234,1240 1.486,1241 1.526,1242 0.516,1243 1.517,1244 1.08,1245 1.026,1246 1.321,1247 1.385,1248 0.334,1249 1.363,1250 0.638,1251 0.565,1252 1.009,1253 1.01,1254 0.103,1255 1.017,1256 0.252,1257 0.121,1258 0.77,1259 0.68,1261 0.733,1264 0.644,1265 0.447,1267 0.522,1270 0.43,1271 0.312,1273 0.29,1274 3.219,1276 4.394,1277 2.398,1278 5.707,1279 4.443,1280 7.084,1281 6.26,1282 8.5,1289 8.352,1290 2.734,1300 14.106,1301 39.02,1302 79.284,1303 98.039,1304 102.039,1305 102.039,1306 102.039,1307 17.72,1308 4.762,1309 55.12,1310 55.12,1311 5,1312 10.651,1313 2.807,1314 2.17,1315 22.325,1316 31,1317 22,1318 0.365,1319 92.915,1320 155.36,1321 218.472,1322 485,1324 8.812,1325 0.734,1326 0.568,1327 8.812,1328 6.81,1329 5.788,1330 0.482,1331 0.33,1332 3.889,1333 5.462,1334 3.833,1335 3.202,1336 5.788,1337 3.964,1338 4.829,1339 0.345,1340 0.189,1341 4.829,1342 2.651,1343 3.119,1344 0.223,1345 0.115,1346 3.119,1347 1.616,1348 2.285,1349 0.152,1350 0.066,1351 2.285,1352 0.99,1353 1.189,1354 0.108,1355 0.046,1356 1.189,1357 0.507,1358 0.581,1359 36.993,1360 0.359,1361 12.832,1362 0.95,1363 52,1364 197.175,1365 59.953,1366 185.159,1367 233.66,1368 170,1369 54,1370 154.596,1371 60.682,1372 154.193,1373 213.82,1374 143,1375 6} {0 CHEMBL543496,1 1.618,2 8.611,3 2.996,4 8.976,5 73.657,6 8.366,7 0.579,8 3.517,9 3.605,10 3.237,11 3.186,12 4.726,13 3.121,14 3.963,15 4.098,16 3.593,17 3.545,18 5.24,19 3.439,20 4.114,21 4.266,22 3.427,23 3.566,24 5.238,25 3.419,26 4.199,27 4.413,28 3.392,29 3.492,30 5.268,31 3.332,32 3.986,33 4.161,34 3.482,35 3.419,36 5.086,37 3.267,38 3.934,39 4.136,40 3.088,41 3.213,42 5.064,43 3.087,44 3.678,45 3.897,46 2.635,47 2.924,48 4.688,49 2.791,50 3.612,51 3.859,52 2.516,53 2.724,54 4.693,55 2.625,56 0.028,57 0.391,58 5.684,59 3.028,60 7.748,61 3.461,62 0.151,63 0.629,64 10.736,65 5.055,66 31.421,67 5.917,68 0.08,69 0.738,70 16.687,71 6.716,72 16.026,73 7.355,74 0.253,75 0.764,76 17.065,77 6.559,78 48.269,79 7.421,80 0.129,81 0.671,82 18.995,83 6.468,84 12.027,85 6.878,86 0.107,87 0.588,88 13.155,89 5.096,90 21.575,91 5.954,92 0.09,93 0.444,94 9.419,95 3.754,96 19.888,97 4.674,98 0.14,99 0.399,100 9.096,101 3.31,102 27.494,103 4.116,104 13,105 25,106 0.305,107 0.683,108 0.832,109 0.893,110 0.893,111 0.893,112 2.959,113 1.004,114 -3.25,115 -3.24,116 -3.11,118 45.2,119 1,120 1,133 1,134 1,140 4,141 1,143 2,150 2,154 1,163 1,167 1,168 6,169 1,172 3,175 1,177 1,180 9,181 2,186 4,191 2,194 7,206 7,207 2,210 4,215 2,218 6,219 1,222 2,227 1,229 4,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 2,260 1,264 1,267 1,268 1,270 362,271 11.93,272 11.93,273 11.93,274 11.93,275 11.93,276 10.181,277 10.716,278 7.245,279 12.188,280 9.391,281 9.391,282 9.391,283 9.391,284 9.391,285 6.847,286 12.47,287 3.492,288 9.83,289 3.336,290 1.331,291 0.54,292 0.218,293 0.218,294 0.218,295 3.612,298 1,299 1,300 1,301 318,302 3.082,305 52.909,306 63.142,313 1.543,314 15.352,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 38.5,326 155,327 4.228,328 3.593,329 5.856,330 3.779,331 2.836,332 3.834,333 1.437,334 8.286,335 2.699,336 3.991,337 3.009,338 5.642,339 3.613,340 2.625,341 3.456,342 0.68,343 7.548,344 2.572,345 3.811,346 2.569,347 5.288,348 3.35,349 2.393,350 3.27,352 6.701,353 2.251,354 3.199,355 2.15,356 4.747,357 2.792,358 1.837,359 2.389,361 5.198,362 1.735,363 2.859,364 1.762,365 3.602,366 2.364,367 1.4,368 1.995,370 3.029,371 1.345,372 2.598,373 1.446,374 3.473,375 2.024,376 1.025,377 1.5,379 2.348,380 1.005,381 2.5,382 1,383 3.263,384 1.956,385 1,386 1.458,388 2.136,389 0.953,390 2.195,391 0.76,392 3.247,393 1.634,394 0.714,395 1.041,397 1.702,398 0.639,399 1.198,400 0.437,401 2.737,402 0.862,403 -0.07,404 -0.085,406 -0.184,407 -0.064,408 0.864,409 0.176,410 2.28,411 0.535,412 -0.435,413 -0.533,415 -1.118,416 -0.418,417 0.5,418 -0.23,419 1.611,420 0.03,421 -0.933,422 -1.238,424 -2,425 -0.893,426 0.473,427 -0.734,428 1.555,430 -1,431 -1.276,433 -2.255,434 -0.961,435 0.426,436 -1,437 1.492,438 -0.027,439 -1,440 -1.5,442 -2.347,443 -0.975,444 0.045,445 -1.074,446 1.279,447 -0.373,448 -1.35,449 -1.667,451 -3.564,452 -1.248,453 -0.117,454 -1.368,455 1.087,456 -0.578,457 -1.545,458 -2.051,460 -4.282,461 -1.364,462 8.9,463 0.494,464 0.438,465 0.024,466 23.5,467 1.306,468 13,469 0.722,470 10.5,471 0.583,472 12.404,473 0.689,474 18.7,475 0.603,476 14.046,477 0.78,478 4.742,479 0.263,480 3.906,481 0.217,482 0.131,484 0.281,487 0.756,488 0.967,489 0.739,490 0.822,491 0.731,492 0.838,493 0.46,494 0.893,495 0.81,496 0.844,497 0.389,498 0.875,499 0.758,500 1.329,501 1.501,502 1.493,503 0.694,504 1.326,505 1.335,506 0.732,507 0.971,508 0.734,509 1.351,510 0.888,511 0.522,512 1.273,513 1.487,514 1.599,515 0.548,516 1.107,517 0.973,518 1.123,519 1.043,520 1.101,521 0.946,522 1.08,523 0.883,524 1.046,525 0.913,526 0.994,527 0.919,528 1.118,529 1.325,530 0.713,531 0.634,532 0.582,533 1.383,534 0.764,535 4,536 0.05,537 1.333,538 1.007,539 0.551,540 0.414,541 0.302,542 0.109,543 0.132,544 0.084,545 2860,546 9410,547 1.994,548 41.9,549 3,550 5,552 2,553 1,554 2,558 1.581,559 1.862,560 3.129,561 -0.28,563 1,565 1,567 50.171,568 1.618,569 3.623,570 4.414,571 4.736,572 4.736,573 4.736,574 2.558,575 3.725,576 4.141,577 3.263,578 499.174,579 7.001,580 4858.74,581 1,582 1,584 1,585 153.58,586 1.415,587 4.096,588 0.211,589 0.008,590 0.053,591 0.048,592 0.031,593 0.022,594 0.02,595 0.011,596 0.015,597 0.009,598 0.428,599 0.67,600 1,601 1.357,602 77.852,603 -0.072,604 0.025,605 0.039,606 0.092,607 -0.096,608 0.051,609 0.212,610 0.121,611 0.118,612 0.142,613 0.242,614 0.063,615 -0.072,616 -0.325,617 -0.351,618 -0.376,619 -0.01,620 -0.344,621 -0.228,622 0.232,623 0.024,624 0.242,625 -0.227,626 0.091,627 0.154,628 -0.236,629 -0.008,630 -0.284,631 0.088,632 -0.048,633 -0.054,634 -0.171,635 -0.09,636 -0.146,637 -0.029,638 -0.104,639 -0.071,640 -0.134,641 -0.131,642 -0.143,643 -0.102,644 -0.144,645 -0.143,646 0.178,647 0.102,648 0.207,649 -0.158,650 0.207,651 2.544,652 3.73,653 0.611,654 13.889,655 1.004,656 1.107,657 2.018,658 4.072,659 0.714,660 2.996,661 3.258,662 3.401,663 3.555,664 3.638,665 3.584,666 3.689,667 3.664,668 3.555,669 3.497,670 5.269,671 0.671,672 259.35,673 2.996,674 4.489,675 5.283,676 6.116,677 6.93,678 7.767,679 8.59,680 9.428,681 10.255,682 11.095,683 3.2,693 1,699 6,700 1,703 1,704 3,706 11,724 31,726 13,728 19,730 32,731 14,733 9,736 3,739 2,740 2,745 1,751 1,753 12,754 2,756 2,761 1,763 1,765 2,768 1,769 1,772 13,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,836 1,840 18,845 1,846 1,856 1,862 6.5,864 1,865 1,869 9.667,870 5.817,871 4.028,872 1.704,874 2.459,875 1.41,876 0.939,877 4.133,878 8.453,879 3.314,880 3.866,881 4.339,882 4.822,883 5.177,884 5.307,885 5.688,886 5.964,887 6.118,888 6.411,889 0.833,890 21,891 6.605,893 2.699,894 7.926,895 12.448,897 9.769,899 2.426,900 43.667,901 0.001,904 141.253,905 118.111,906 16.786,908 67.828,910 31.278,911 86.834,912 209.081,913 16.786,914 8.825,915 2.535,916 47.381,917 109.066,918 24.466,919 2.717,920 148.989,922 141.253,923 103.619,924 67.828,925 31.278,927 141.253,928 67.828,931 29.455,932 47.903,933 26.262,934 31.278,935 141.253,936 84.614,937 118.111,940 141.253,941 43.81,942 74.301,944 84.614,945 141.253,946 84.614,947 118.111,949 0.572,950 0.312,951 0.148,952 0.077,953 11,954 5,955 0.125,956 4,958 1,959 3.118,960 117.115,962 11,963 75.059,964 1,968 12.811,969 5.807,970 3.682,972 84.614,973 11.518,974 4.074,977 1.606,978 3.325,980 42.683,981 343.978,982 26.5,987 10.73,989 1.694,991 -0.526,994 31.134,995 34.328,996 0.327,997 0.731,998 0.891,999 0.956,1000 0.956,1001 0.956,1002 4.497,1003 0.714,1004 5.242,1005 2.136,1006 3.932,1007 4.549,1008 1.801,1009 5.943,1010 3.844,1011 5.694,1012 -0.07,1013 6.737,1014 1.702,1015 3.434,1016 4.182,1018 6.589,1019 3.302,1020 6.973,1021 -0.435,1022 8.325,1023 -0.184,1024 5.425,1025 6.656,1026 2.297,1027 9.599,1028 5.257,1029 8.285,1030 -0.933,1031 9.964,1032 -1.118,1033 5.707,1034 7.078,1036 11.015,1037 5.485,1038 9.622,1039 -1,1040 11.634,1041 -2,1042 7.169,1043 8.996,1044 2.933,1045 13.501,1046 6.923,1047 10.978,1048 -1,1049 13.323,1050 -2.255,1051 7.81,1052 9.799,1054 15.248,1055 7.506,1056 12.348,1057 -1.35,1058 15.027,1059 -2.347,1060 9.04,1061 11.454,1062 3.621,1063 17.521,1064 8.712,1065 2.836,1066 -1.545,1067 16.739,1068 -3.564,1069 9.86,1070 12.465,1072 19.433,1073 9.476,1074 2.625,1075 8.286,1076 18.459,1077 -4.282,1078 10.98,1079 13.978,1080 4.33,1081 21.61,1082 10.568,1083 2.393,1084 7.548,1085 20.184,1086 3.834,1087 11.893,1088 15.112,1090 23.607,1091 11.428,1092 1.837,1093 6.701,1094 21.913,1095 3.456,1096 12.961,1097 16.546,1098 5.048,1099 25.74,1100 12.462,1101 1.4,1102 5.198,1103 23.645,1104 3.27,1105 13.924,1106 17.753,1108 27.783,1109 13.374,1110 1.025,1111 3.029,1112 25.38,1113 2.389,1114 14.967,1115 19.142,1116 5.769,1117 29.896,1118 14.38,1119 1,1120 2.348,1121 27.117,1122 1.995,1123 15.958,1124 20.396,1126 31.964,1127 15.321,1128 2924,1129 5384,1130 12.425,1131 22.131,1132 28.444,1133 28.431,1134 28.342,1135 27.698,1136 27.662,1137 37.886,1138 4.233,1139 73.895,1140 26.398,1141 4.988,1142 5.593,1143 5.658,1144 4.875,1145 4.836,1146 6.834,1147 2.873,1148 14.239,1149 4.66,1150 8.925,1151 1.497,1152 1.496,1153 1.492,1154 1.458,1155 1.456,1156 1.994,1157 0.223,1158 3.889,1159 1.389,1160 3.973,1161 3.992,1162 4.253,1163 3.991,1164 7.475,1165 3.927,1166 3.81,1167 3.838,1168 3.783,1169 3.733,1170 6.351,1171 3.726,1172 3.59,1173 3.609,1174 3.576,1175 3.474,1176 4.902,1177 3.469,1178 3.09,1179 3.146,1180 2.971,1181 2.956,1182 4.662,1183 2.943,1184 2.996,1185 3.038,1186 2.828,1187 2.633,1188 4.156,1189 2.682,1190 2.762,1191 2.848,1192 2.682,1193 2.571,1194 3.844,1195 2.567,1196 2.677,1197 2.755,1198 2.62,1199 2.497,1200 3.719,1201 2.482,1202 2.469,1203 2.559,1204 2.453,1205 2.378,1206 3.387,1207 2.295,1208 0.223,1209 0.189,1210 0.308,1211 0.199,1212 0.149,1213 4.228,1214 0.202,1215 3.593,1216 0.076,1217 5.856,1218 0.436,1219 3.779,1220 0.142,1221 2.836,1222 3.834,1223 1.437,1224 8.286,1225 2.699,1226 1.866,1227 1.833,1228 1.982,1229 1.978,1230 1.142,1231 1.985,1232 1.722,1233 1.705,1234 1.854,1235 1.84,1236 0.969,1237 1.846,1238 1.487,1239 1.457,1240 1.644,1241 1.593,1242 0.749,1243 1.62,1244 1.27,1245 1.253,1246 1.428,1247 1.379,1248 0.604,1249 1.429,1250 0.902,1251 0.853,1252 1.19,1253 1.267,1254 0.295,1255 1.228,1256 0.85,1257 0.814,1258 1.039,1259 1.032,1260 0.064,1261 1.081,1262 0.71,1263 0.624,1264 0.959,1265 0.97,1267 0.99,1268 0.479,1269 0.396,1270 0.862,1271 0.744,1273 0.796,1274 3.664,1276 4.934,1277 2.398,1278 6.372,1279 4.595,1280 7.877,1281 6.555,1282 9.416,1284 1.6,1289 8.813,1290 0.832,1300 20.799,1301 50.171,1302 112.319,1303 136.825,1304 146.825,1305 146.825,1306 146.825,1307 27.449,1308 5.994,1309 50.19,1310 78.43,1311 11,1312 11.663,1313 3.807,1314 3.087,1315 31.183,1316 57,1317 46,1318 0.276,1319 135.702,1320 232.85,1321 322.874,1322 2604,1324 12.958,1325 0.72,1326 0.599,1327 13.311,1328 10.776,1329 8.648,1330 0.455,1331 0.335,1332 5.567,1333 7.945,1334 5.299,1335 4.439,1336 9.056,1337 6.358,1338 7.742,1339 0.31,1340 0.207,1341 8.437,1342 5.175,1343 5.884,1344 0.203,1345 0.121,1346 6.589,1347 3.512,1348 4.299,1349 0.126,1350 0.076,1351 5.116,1352 2.596,1353 3.167,1354 0.086,1355 0.042,1356 3.793,1357 1.556,1358 0.433,1359 57.624,1360 0.284,1361 18.441,1362 0.745,1363 88,1364 276.391,1365 119.439,1366 291.438,1367 385.02,1368 270,1369 98,1370 252.522,1371 122.864,1372 275.547,1373 392.18,1374 257,1375 7.921} {0 CHEMBL543725,1 1.392,2 9.563,3 3.056,4 9.338,5 62.815,6 6.324,7 0.375,8 3.588,9 3.718,10 2.977,11 3.099,12 4.633,13 3.039,14 4.129,15 4.331,16 3.176,17 3.44,18 5.192,19 3.316,20 4.421,21 4.697,22 3.046,23 3.511,24 5.227,25 3.329,26 4.368,27 4.667,28 2.865,29 3.391,30 5.118,31 3.188,32 4.241,33 4.534,34 2.778,35 3.272,36 5.022,37 3.078,38 4.128,39 4.418,40 2.69,41 3.153,42 4.945,43 2.968,44 3.984,45 4.267,46 2.593,47 3.011,48 4.853,49 2.84,50 3.816,51 4.088,52 2.485,53 2.845,54 4.753,55 2.694,56 0.033,57 0.459,58 8.186,59 3.526,60 6.621,61 4.849,62 0.171,63 0.708,64 14.2,65 5.616,66 33.353,67 8.06,68 0.182,69 0.819,70 18.95,71 6.882,72 33.019,73 10.108,74 0.186,75 0.748,76 17.948,77 6.275,78 31.204,79 9.375,80 0.166,81 0.656,82 15.82,83 5.534,84 28.516,85 8.216,86 0.156,87 0.582,88 14.171,89 4.852,90 27.024,91 7.211,92 0.145,93 0.502,94 12.326,95 4.111,96 25.143,97 6.109,98 0.133,99 0.423,100 10.48,101 3.371,102 23.269,103 5.006,104 13,105 18,106 0.263,107 0.544,108 0.69,109 0.811,110 0.873,111 0.895,112 2.847,113 1.105,114 -3.23,115 -3.22,116 -3.09,118 37.1,120 7,140 2,141 1,143 2,154 1,163 1,167 1,168 9,169 1,172 3,175 1,177 1,180 8,181 1,186 3,191 1,194 7,195 1,198 2,203 1,206 6,207 1,210 2,215 1,218 5,219 1,222 2,227 1,229 4,230 1,234 2,239 1,242 3,243 1,247 2,252 1,255 2,256 1,259 2,264 1,267 1,268 1,270 286,271 10.795,272 10.795,273 10.795,274 10.795,275 10.795,276 9.836,277 6.78,278 7.152,279 10.865,280 7.949,281 7.949,282 7.949,283 7.949,284 7.949,285 6.585,286 3.363,287 3.491,288 8.05,289 3.738,290 2.255,291 1.485,292 0.843,293 0.514,294 0.4,295 3.483,299 1,300 1,301 302,302 3.24,306 61.388,313 1.617,314 13.772,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 34.5,326 153,327 3.896,328 3.596,329 5.34,330 3.513,331 2.522,332 3.444,333 2.341,334 6.965,335 2.498,336 3.55,337 2.718,338 4.659,339 3.241,340 2.235,341 2.71,343 5.184,344 2.223,345 2.965,346 1.842,347 3.828,348 2.786,349 1.789,350 2.12,352 3.62,353 1.78,354 2.768,355 1.612,356 3.608,357 2.486,358 1.513,359 1.779,361 3.134,362 1.47,363 2.5,364 1.327,365 3.259,366 2.18,367 1.185,368 1.5,370 2.435,371 1.175,372 2.3,373 1,374 3.247,375 1.956,376 1,377 1.277,379 2.136,380 0.954,381 1.691,382 0.849,383 2.733,384 1.582,385 0.583,386 0.622,388 1.209,389 0.58,390 1.085,391 0.463,392 2.192,393 0.934,394 -0.064,395 -0.069,397 -0.137,398 -0.063,399 0.681,400 0.109,401 1.654,402 0.395,403 -0.595,404 -0.669,406 -1.274,407 -0.58,408 0.5,409 -0.349,410 1.555,411 0.035,412 -1,413 -1.119,415 -2,416 -0.93,417 0.435,418 -0.841,419 1.168,420 -0.025,421 -1,422 -1.373,424 -2.119,425 -0.974,426 0.131,427 -1,428 1,429 -0.061,430 -1,431 -1.5,433 -2.347,434 -1.028,435 -0.348,436 -1.244,437 0.923,438 -0.448,439 -1.437,440 -1.653,442 -3.223,443 -1.436,444 -0.5,445 -1.579,446 0.503,447 -0.782,448 -1.778,449 -1.947,451 -4.151,452 -1.776,453 -0.721,454 -1.882,455 0.198,456 -0.956,457 -1.955,458 -2.122,459 -0.757,460 -4.642,461 -1.934,462 7.567,463 0.473,464 0.212,465 0.013,466 16.5,467 1.031,468 7.5,469 0.469,470 9,471 0.563,472 12.559,473 0.785,474 18.833,475 0.538,476 8.543,477 0.534,478 2.961,479 0.185,480 4.827,481 0.302,482 0.088,484 0.132,487 0.765,488 1.347,489 0.986,490 1.252,491 0.686,492 1.167,493 0.435,494 1.31,495 1.051,496 1.309,497 0.359,498 1.27,499 0.785,500 1.022,501 0.986,502 1.029,503 0.809,504 1.039,505 0.757,506 0.911,507 0.948,508 0.945,509 0.734,510 0.968,511 0.815,512 0.924,513 0.952,514 0.951,515 0.816,516 0.969,517 0.907,518 0.916,519 0.964,520 0.935,521 0.915,522 0.955,523 1.044,524 0.923,525 0.998,526 0.931,527 1.063,528 0.954,529 1.236,530 0.932,531 1.045,532 0.925,533 1.268,534 0.952,535 2,536 0.054,537 0.667,538 0.313,539 0.231,540 0.146,541 0.101,542 0.075,543 0.033,544 0.066,545 2282,546 6476,547 1.929,548 54.3,549 12,550 2,552 2,553 1,554 2,558 1.535,559 1.846,560 3.268,561 -0.291,563 1,564 1,565 1,567 48.709,568 1.392,569 2.875,570 3.644,571 4.286,572 4.615,573 4.729,574 2.733,575 3.25,576 3.973,577 3.429,578 411.43,579 6.616,580 3963.08,582 1,584 1,585 179.525,586 1.061,587 3.953,588 0.125,589 0.008,590 0.037,591 0.021,592 0.019,593 0.013,594 0.01,595 0.008,596 0.004,597 0.009,598 0.255,599 0.83,600 1,601 2.625,602 68.753,603 -0.05,604 -0.062,605 -0.008,606 -0.003,607 -0.013,608 -0.003,609 0.202,610 -0.169,611 -0.108,612 -0.191,613 0.244,614 -0.192,615 -0.046,616 -0.066,617 -0.054,618 -0.041,619 -0.055,620 -0.05,621 -0.037,622 0.012,623 -0.022,625 -0.041,626 -0.007,627 -0.043,628 -0.003,629 -0.019,630 -0.002,631 -0.054,632 -0.006,633 -0.059,634 0.005,635 -0.019,636 0.007,637 -0.075,638 0.001,639 -0.087,640 0.005,641 -0.035,642 0.005,643 -0.109,644 -0.005,645 -0.125,646 0.006,647 -0.058,648 0.003,649 -0.155,650 -0.014,651 2.352,652 3.266,653 0.375,654 12.609,655 0.992,656 1.133,657 2.003,658 4.011,659 0.622,660 2.833,661 2.944,662 2.944,663 2.996,664 3.045,665 2.773,666 2.708,667 2.639,668 2.565,669 2.565,670 5.89,671 0.577,672 221.33,673 2.833,674 4.234,675 4.949,676 5.7,677 6.431,678 7.188,679 7.926,680 8.685,681 9.428,682 10.189,683 2.9,693 1,699 4,700 1,704 1,706 6,724 35,726 7,728 16,730 35,731 13,733 5,739 1,740 1,751 7,753 6,754 7,756 1,761 1,765 1,769 1,772 19,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 16,845 1,846 7,862 5.7,864 1,865 1,869 8.667,870 5.9,871 3.833,872 2.364,874 1.147,875 1.216,876 0.877,877 6.433,878 6.455,879 3.045,880 3.384,881 3.631,882 3.982,883 4.356,884 3.841,885 3.819,886 3.797,887 3.774,888 3.841,889 1,890 15,891 5.906,893 2.287,894 7.865,895 11.457,897 8.786,899 2.365,900 37.833,901 0.003,904 211.88,905 58.885,906 16.786,908 67.828,911 58.885,912 279.708,913 16.786,915 17.742,916 18.952,917 109.066,918 21.28,920 188.338,922 211.88,923 75.67,924 67.828,927 211.88,928 67.828,931 35.837,932 23.048,933 16.786,935 211.88,936 84.614,937 58.885,940 211.88,941 21.837,942 37.047,944 84.614,945 211.88,946 84.614,947 58.885,949 0.53,950 0.259,951 0.127,952 0.066,953 5,954 2,955 0.229,956 8,958 1,959 3.06,960 84.291,962 6,963 64,968 12.86,969 8.004,970 6.843,972 84.614,973 7.749,974 4.067,978 1.285,980 42.683,981 355.378,982 20,987 10.266,991 -0.685,994 34.709,995 39.654,996 0.271,997 0.56,998 0.71,999 0.836,1000 0.9,1001 0.922,1002 4.151,1003 -0.064,1004 4.796,1005 1.209,1006 3.611,1007 4.06,1008 2.258,1009 5.293,1010 3.587,1011 5.222,1012 -0.595,1013 6.151,1014 -0.137,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.404,1021 -1,1022 7.595,1023 -1.274,1024 4.89,1025 5.906,1026 3.628,1027 8.49,1028 4.85,1029 7.616,1030 -1,1031 9.097,1032 -2,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.585,1038 8.861,1039 -1,1040 10.638,1041 -2.119,1042 6.389,1043 8.046,1044 5.201,1045 12.018,1046 6.331,1047 10.126,1048 -1.437,1049 12.209,1050 -2.347,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.506,1056 11.409,1057 -1.778,1058 13.802,1059 -3.223,1060 8.003,1061 10.326,1062 6.849,1063 15.717,1064 7.928,1065 2.522,1066 -1.955,1067 15.412,1068 -4.151,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.373,1074 2.235,1075 6.965,1076 17.035,1077 -4.642,1078 9.688,1079 12.677,1080 8.526,1081 19.505,1082 9.596,1083 1.789,1084 5.184,1085 18.667,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.211,1092 1.513,1093 3.62,1094 20.307,1095 2.71,1096 11.422,1097 15.067,1098 10.216,1099 23.34,1100 11.312,1101 1.185,1102 3.134,1103 21.953,1104 2.12,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.036,1110 1,1111 2.435,1112 23.604,1113 1.779,1114 13.189,1115 17.481,1116 11.912,1117 27.198,1118 13.061,1119 0.583,1120 2.136,1121 25.259,1122 1.5,1123 13.981,1124 18.446,1125 12.755,1126 29.119,1127 13.853,1128 2414,1129 4130,1130 10.515,1131 21.767,1132 21.841,1133 22.192,1134 21.846,1135 21.663,1136 21.657,1137 26.904,1138 4.682,1139 49.364,1140 21.359,1141 4.831,1142 5.596,1143 5.205,1144 4.548,1145 4.522,1146 6.444,1147 3.925,1148 11.754,1149 4.457,1150 7.125,1151 1.365,1152 1.387,1153 1.365,1154 1.354,1155 1.354,1156 1.682,1157 0.293,1158 3.085,1159 1.335,1160 3.91,1161 3.956,1162 3.83,1163 3.813,1164 7.474,1165 3.81,1166 3.754,1167 3.808,1168 3.62,1169 3.623,1170 6.351,1171 3.611,1172 3.548,1173 3.598,1174 3.415,1175 3.38,1176 4.895,1177 3.376,1178 3.272,1179 3.323,1180 3.116,1181 3.069,1182 4.163,1183 3.071,1184 2.965,1185 3.028,1186 2.781,1187 2.759,1188 3.929,1189 2.758,1190 2.766,1191 2.851,1192 2.619,1193 2.549,1194 3.791,1195 2.556,1196 2.669,1197 2.755,1198 2.446,1199 2.425,1200 3.614,1201 2.424,1202 2.423,1203 2.541,1204 2.088,1205 2.126,1206 3.275,1207 2.105,1208 0.244,1209 0.225,1210 0.334,1211 0.22,1212 0.158,1213 3.896,1214 0.215,1215 3.596,1216 0.146,1217 5.34,1218 0.435,1219 3.513,1220 0.156,1221 2.522,1222 3.444,1223 2.341,1224 6.965,1225 2.498,1226 1.885,1227 1.844,1228 2.063,1229 2.011,1230 1.402,1231 2.028,1232 1.752,1233 1.698,1234 1.958,1235 1.913,1236 1.205,1237 1.932,1238 1.529,1239 1.474,1240 1.776,1241 1.73,1242 0.962,1243 1.744,1244 1.235,1245 1.179,1246 1.521,1247 1.482,1248 0.724,1249 1.49,1250 0.933,1251 0.874,1252 1.25,1253 1.21,1254 0.436,1255 1.221,1256 0.741,1257 0.661,1258 1.06,1259 0.998,1260 0.176,1261 1.025,1262 0.638,1263 0.557,1264 0.979,1265 0.946,1266 0.026,1267 0.966,1268 0.427,1269 0.319,1270 0.872,1271 0.774,1273 0.821,1274 3.497,1276 4.654,1278 5.974,1280 7.368,1282 8.803,1289 8.458,1290 6.692,1300 20.192,1301 48.709,1302 100.612,1303 127.551,1304 150.015,1305 161.525,1306 165.525,1307 31.645,1308 5.308,1309 50.19,1310 50.19,1311 6,1312 10.824,1313 3,1314 2.322,1315 35.147,1316 57,1317 44,1318 0.297,1319 131.155,1320 228.22,1321 311.777,1322 1142,1324 11.64,1325 0.727,1326 0.598,1327 11.64,1328 9.562,1329 7.788,1330 0.487,1331 0.368,1332 5.849,1333 7.564,1334 5.733,1335 4.822,1336 7.788,1337 5.895,1338 6.243,1339 0.347,1340 0.223,1341 6.243,1342 4.023,1343 4.119,1344 0.229,1345 0.143,1346 4.119,1347 2.579,1348 2.992,1349 0.157,1350 0.089,1351 2.992,1352 1.682,1353 2.172,1354 0.109,1355 0.054,1356 2.172,1357 1.078,1358 0.494,1359 48.381,1360 0.308,1361 17.307,1362 0.736,1363 68,1364 205.53,1365 73.816,1366 197.562,1367 251.23,1368 182,1369 70,1370 164.779,1371 74.157,1372 166.933,1373 230.92,1374 156,1375 7.119} {0 CHEMBL543726,1 1.544,2 8.667,3 2.025,4 4.101,5 69.881,6 7.572,7 0.579,8 3.554,9 3.664,10 3.122,11 3.098,12 4.765,13 3.083,14 4.013,15 4.18,16 3.415,17 3.442,18 5.282,19 3.401,20 4.17,21 4.348,22 3.306,23 3.522,24 5.282,25 3.423,26 4.305,27 4.548,28 3.168,29 3.449,30 5.344,31 3.334,32 4.093,33 4.323,34 3.187,35 3.357,36 5.181,37 3.262,38 4.065,39 4.288,40 2.986,41 3.202,42 5.232,43 3.095,44 3.822,45 4.103,46 2.561,47 2.823,48 4.8,49 2.697,50 3.255,51 3.46,52 2.424,53 2.511,54 4.272,55 2.434,56 0.032,57 0.446,58 6.156,59 2.819,60 7.912,61 3.553,62 0.214,63 0.691,64 10.936,65 4.319,66 31.813,67 5.739,68 0.073,69 0.758,70 12.878,71 5.72,72 17.433,73 7.549,74 0.284,75 0.79,76 17.451,77 6.072,78 50.329,79 8.192,80 0.092,81 0.675,82 13.083,83 5.225,84 17.43,85 7.244,86 0.158,87 0.622,88 13.143,89 4.791,90 32.117,91 6.409,92 0.184,93 0.463,94 11.411,95 3.601,96 31.675,97 5.086,98 0.026,99 0.293,100 5.341,101 2.092,102 8.182,103 2.892,104 13,105 25,106 0.289,107 0.681,108 0.827,109 0.85,110 0.85,111 0.85,112 2.958,113 0.886,114 -3.25,115 -3.24,116 -3.11,118 43.8,119 1,124 1,133 1,134 1,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 9,169 1,171 1,172 2,175 1,177 1,180 10,181 2,186 4,191 2,194 8,195 1,198 4,203 1,206 5,207 2,210 5,215 2,218 3,219 2,222 5,227 2,229 1,230 1,234 3,239 1,247 2,248 1,258 1,259 1,262 1,270 314,271 11.93,272 11.93,273 11.93,274 11.93,275 11.93,276 10.181,277 11.822,278 7.193,279 12.112,280 9.374,281 9.374,282 9.374,283 9.374,284 9.374,285 6.841,286 15.733,287 3.447,288 9.656,289 3.456,290 1.363,291 0.586,292 0.461,293 0.461,294 0.461,295 3.612,299 1,300 1,301 322,302 3.082,305 56.274,306 62.398,313 1.704,314 14.954,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 39,326 156,327 4.181,328 3.593,329 5.822,330 3.778,331 2.784,332 3.755,333 1.437,334 7.995,335 2.768,336 4.01,337 2.925,338 5.6,339 3.617,340 2.65,341 3.501,342 0.522,343 7.641,344 2.571,345 3.809,346 2.541,347 5.265,348 3.352,349 2.387,350 3.275,352 6.577,353 2.282,354 3.394,355 2.233,356 4.943,357 3.007,358 2.021,359 2.67,361 5.778,362 1.981,363 2.685,364 1.837,365 3.543,366 2.129,367 1.185,368 1.647,370 2.615,371 1.111,372 2.567,373 1.234,374 3.414,375 2.029,376 1.041,377 1.5,379 2.365,380 1.014,381 2.5,382 1,383 3.4,384 2,385 1,386 1.491,388 2.275,389 1,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.397,400 0.452,401 2.711,402 1.122,403 0.137,404 0.164,406 0.33,407 0.134,408 0.844,409 0.345,410 2.32,411 0.544,412 -0.428,413 -0.519,415 -1.151,416 -0.414,417 0.5,418 -0.221,419 2,420 0.023,421 -0.951,422 -1.237,424 -2,425 -0.925,426 0.497,427 -0.77,428 1.618,430 -1,431 -1.31,433 -2.261,434 -0.962,435 0.406,436 -1,437 1.383,439 -1,440 -1.5,442 -3,443 -1,444 -0.099,445 -1.128,446 1.151,447 -0.453,448 -1.433,449 -1.697,451 -3.409,452 -1.406,453 -0.118,454 -1.376,455 1,456 -0.584,457 -1.548,458 -2.042,460 -4.153,461 -1.476,462 8.467,463 0.47,464 0.438,465 0.024,466 24.25,467 1.347,468 13,469 0.722,470 11.25,471 0.625,472 10.716,473 0.595,474 19.133,475 0.598,476 15.682,477 0.871,478 5.141,479 0.286,480 3.507,481 0.195,482 0.138,484 0.283,487 0.805,488 1.312,489 0.787,490 1.058,491 0.733,492 0.944,493 0.598,494 0.884,495 0.858,496 0.867,497 0.396,498 0.882,499 0.679,500 1.288,501 1.123,502 1.381,503 0.677,504 1.342,505 1.196,506 0.825,507 1.09,508 0.857,509 1.235,510 0.943,511 0.567,512 1.025,513 0.805,514 1.047,515 0.495,516 0.98,517 1.121,518 1.14,519 1.128,520 1.179,521 1.171,522 1.166,523 1.155,524 0.753,525 0.942,526 0.748,527 1.174,528 0.797,529 0.666,530 1.459,531 0.908,532 1.332,533 0.673,534 1.194,535 4,536 0.066,537 1.556,538 0.722,539 0.737,540 0.341,541 0.312,542 0.164,543 0.081,544 0.095,545 2932,546 9296,547 1.994,548 43.8,549 3,550 7,551 1,552 2,553 1,558 1.579,559 1.862,560 3.129,561 -0.28,563 1,564 1,565 1,567 49.394,568 1.544,569 3.637,570 4.414,571 4.539,572 4.539,573 4.539,574 2.503,575 2.753,576 4.139,577 3.292,578 503.733,579 6.99,580 4934.61,581 1,582 1,584 1,585 160,586 1.415,587 4.096,588 0.211,589 0.008,590 0.062,591 0.034,592 0.041,593 0.018,594 0.022,595 0.018,596 0.01,597 0.012,598 0.437,599 0.67,600 1,601 1.357,602 78.141,603 -0.072,604 -0.186,605 0.018,606 -0.036,607 -0.097,608 -0.006,609 0.166,610 0.235,611 0.012,612 0.109,613 0.231,614 0.054,615 -0.04,616 -0.292,617 -0.261,618 -0.36,619 -0.016,620 -0.352,621 -0.184,622 0.093,623 -0.087,624 0.114,625 -0.187,626 0.043,627 0.061,628 -0.077,629 0.127,630 -0.041,631 0.113,632 0.041,633 -0.11,634 -0.22,635 -0.147,636 -0.207,637 -0.098,638 -0.189,639 -0.108,640 0.123,641 0.124,642 0.196,643 -0.106,644 0.202,645 0.06,646 -0.484,647 0.015,648 -0.352,649 0.006,650 -0.21,651 2.558,652 3.704,653 0.611,654 14.938,655 1.005,656 1.122,657 2.022,658 4.089,659 0.672,660 2.996,661 3.258,662 3.401,663 3.526,664 3.611,665 3.555,666 3.664,667 3.714,668 3.611,669 3.497,670 5.399,671 0.645,672 242.3,673 2.996,674 4.489,675 5.283,676 6.111,677 6.925,678 7.753,679 8.573,680 9.402,681 10.225,682 11.054,683 6.3,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 32,726 13,727 1,728 19,730 33,731 14,733 9,734 2,735 4,736 3,739 2,740 2,745 1,753 12,754 2,756 2,761 1,763 1,765 2,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,822 1,823 1,830 1,832 2,836 1,840 18,845 1,846 1,862 6.3,864 1,865 1,869 9.667,870 5.933,871 4.028,872 1.729,874 2.37,875 1.397,876 0.932,877 3.826,878 8.334,879 3.314,880 3.866,881 4.339,882 4.804,883 5.157,884 5.332,885 5.736,886 6.094,887 6.263,888 6.411,889 0.833,890 21,891 6.591,893 2.681,894 7.954,895 12.35,897 9.569,899 2.454,900 44.167,901 0.001,904 153.024,905 95.492,906 18.685,908 67.828,911 95.492,912 220.853,913 18.685,914 8.825,915 2.106,916 56.429,917 117.684,918 20.503,919 11.771,920 117.711,922 153.024,923 114.177,924 67.828,927 153.024,928 67.828,931 30.496,932 57.419,933 26.262,935 153.024,936 86.513,937 95.492,940 153.024,941 12.572,942 84.819,944 84.614,945 153.024,946 86.513,947 95.492,949 0.574,950 0.315,951 0.145,952 0.073,953 11,954 5,955 0.121,956 4,958 1,959 3.13,960 116.59,962 11,963 71.059,968 12.431,969 5.54,970 3.482,972 84.614,973 13.22,974 3.983,978 2.044,979 1.98,980 42.683,981 335.029,982 26.5,987 10.704,989 1.656,991 -0.56,994 32.16,995 35.907,996 0.309,997 0.727,998 0.883,999 0.908,1000 0.908,1001 0.908,1002 4.497,1003 0.618,1004 5.242,1005 2.275,1006 3.932,1007 4.549,1008 1.736,1009 5.938,1010 3.88,1011 5.694,1012 0.137,1013 6.737,1014 1.372,1015 3.434,1016 4.182,1018 6.589,1019 3.372,1020 6.973,1021 -0.428,1022 8.324,1023 0.33,1024 5.425,1025 6.656,1026 2.269,1027 9.572,1028 5.331,1029 8.285,1030 -0.951,1031 9.961,1032 -1.151,1033 5.707,1034 7.078,1036 10.972,1037 5.602,1038 9.621,1039 -1,1040 11.628,1041 -2,1042 7.155,1043 8.981,1044 2.925,1045 13.433,1046 7.028,1047 10.974,1048 -1,1049 13.313,1050 -2.261,1051 7.787,1052 9.772,1054 15.151,1055 7.648,1056 12.34,1057 -1.433,1058 15.011,1059 -3,1060 9.002,1061 11.412,1062 3.619,1063 17.401,1064 8.848,1065 2.784,1066 -1.548,1067 16.718,1068 -3.409,1069 9.808,1070 12.403,1072 19.279,1073 9.642,1074 2.65,1075 7.995,1076 18.43,1077 -4.153,1078 10.914,1079 13.902,1080 4.33,1081 21.431,1082 10.737,1083 2.387,1084 7.641,1085 20.148,1086 3.755,1087 11.81,1088 15.011,1090 23.393,1091 11.624,1092 2.021,1093 6.577,1094 21.869,1095 3.501,1096 12.863,1097 16.431,1098 5.047,1099 25.499,1100 12.668,1101 1.185,1102 5.778,1103 23.593,1104 3.275,1105 13.809,1106 17.611,1108 27.506,1109 13.605,1110 1.041,1111 2.615,1112 25.32,1113 2.67,1114 14.837,1115 18.986,1116 5.769,1117 29.59,1118 14.625,1119 1,1120 2.365,1121 27.049,1122 1.647,1123 15.809,1124 20.211,1126 31.622,1127 15.591,1128 2984,1129 5379,1130 12.425,1131 21.489,1132 28.216,1133 28.272,1134 28.029,1135 27.647,1136 27.646,1137 37.86,1138 3.916,1139 73.897,1140 26.876,1141 4.949,1142 5.593,1143 5.437,1144 4.811,1145 4.784,1146 6.755,1147 2.873,1148 13.829,1149 4.768,1150 8.96,1151 1.485,1152 1.488,1153 1.475,1154 1.455,1155 1.455,1156 1.993,1157 0.206,1158 3.889,1159 1.415,1160 4.007,1161 4.052,1162 3.947,1163 3.921,1164 7.475,1165 3.92,1166 3.839,1167 3.886,1168 3.782,1169 3.664,1170 6.351,1171 3.689,1172 3.613,1173 3.637,1174 3.545,1175 3.479,1176 4.963,1177 3.488,1178 3.096,1179 3.144,1180 3,1181 2.934,1182 4.732,1183 2.933,1184 2.986,1185 3.038,1186 2.783,1187 2.735,1188 4.196,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.632,1194 3.749,1195 2.673,1196 2.658,1197 2.749,1198 2.437,1199 2.445,1200 3.674,1201 2.432,1202 2.468,1203 2.569,1204 2.256,1205 2.267,1206 3.427,1207 2.251,1208 0.22,1209 0.189,1210 0.306,1211 0.199,1212 0.147,1213 4.181,1214 0.198,1215 3.593,1216 0.076,1217 5.822,1218 0.421,1219 3.778,1220 0.146,1221 2.784,1222 3.755,1223 1.437,1224 7.995,1225 2.768,1226 1.953,1227 1.928,1228 2.063,1229 2.037,1230 1.209,1231 2.047,1232 1.634,1233 1.597,1234 1.806,1235 1.816,1236 0.939,1237 1.809,1238 1.459,1239 1.402,1240 1.644,1241 1.666,1242 0.745,1243 1.661,1244 1.29,1245 1.221,1246 1.469,1247 1.525,1248 0.446,1249 1.512,1250 0.942,1251 0.88,1252 1.242,1253 1.268,1254 0.277,1255 1.237,1256 0.886,1257 0.821,1258 1.181,1259 1.13,1260 0.218,1261 1.147,1262 0.849,1263 0.814,1264 1.099,1265 1.062,1266 0.13,1267 1.107,1268 0.549,1269 0.456,1270 0.91,1271 0.847,1273 0.893,1274 3.664,1276 4.934,1277 2.398,1278 6.372,1279 4.443,1280 7.88,1281 6.26,1282 9.425,1284 1.585,1289 8.791,1290 0.766,1300 20.633,1301 49.394,1302 116.39,1303 141.245,1304 145.245,1305 145.245,1306 145.245,1307 26.191,1308 5.964,1309 55.12,1310 55.12,1311 11,1312 11.629,1313 3.807,1314 3.087,1315 31.269,1316 61,1317 42,1318 0.269,1319 131.366,1320 225.34,1321 312.292,1322 2462,1324 12.958,1325 0.72,1326 0.56,1327 12.958,1328 10.076,1329 8.648,1330 0.455,1331 0.295,1332 5.538,1333 8.333,1334 5.355,1335 4.507,1336 8.648,1337 5.612,1338 7.73,1339 0.309,1340 0.164,1341 7.73,1342 4.109,1343 5.951,1344 0.205,1345 0.091,1346 5.951,1347 2.625,1348 4.218,1349 0.128,1350 0.049,1351 4.218,1352 1.622,1353 3.066,1354 0.085,1355 0.028,1356 3.066,1357 1.006,1358 0.426,1359 54.154,1360 0.284,1361 18.534,1362 0.72,1363 88,1364 279.175,1365 95.953,1366 272.771,1367 359.91,1368 252,1369 98,1370 252.596,1371 105.513,1372 260.328,1373 368.14,1374 241,1375 8.398} {0 CHEMBL543727,1 1.496,2 7.231,3 1.687,4 2.847,5 49.012,6 6.894,7 0.462,8 3.315,9 3.432,10 2.78,11 2.827,12 4.467,13 2.791,14 3.81,15 3.992,16 2.992,17 3.143,18 5.026,19 3.054,20 4.064,21 4.314,22 2.821,23 3.195,24 4.999,25 3.049,26 3.981,27 4.25,28 2.602,29 3.047,30 4.853,31 2.87,32 3.854,33 4.136,34 2.486,35 2.862,36 4.77,37 2.703,38 3.614,39 3.87,40 2.365,41 2.646,42 4.657,43 2.522,44 3.367,45 3.63,46 2.353,47 2.379,48 4.566,49 2.311,50 3.09,51 3.287,52 2.141,53 1.904,54 4.618,55 1.96,56 0.023,57 0.343,58 5.66,59 2.502,60 7.813,61 3.309,62 0.145,63 0.519,64 9.881,65 3.903,66 34.005,67 5.485,68 0.174,69 0.583,70 13.547,71 4.788,72 36.926,73 6.847,74 0.142,75 0.513,76 12.531,77 4.464,78 32.252,79 6.451,80 0.16,81 0.44,82 11.26,83 3.593,84 32.541,85 5.32,86 0.138,87 0.348,88 8.804,89 2.704,90 26.852,91 3.94,92 0.06,93 0.27,94 6.766,95 2.014,96 13.922,97 3.019,98 0.116,99 0.174,100 5.405,101 1.08,102 23.885,103 1.499,104 10,105 15,106 0.305,107 0.644,108 0.754,109 0.801,110 0.833,111 0.833,112 2.661,113 1.014,114 -2.39,115 -2.42,116 -2.37,118 38.5,120 4,140 2,141 1,143 2,154 1,163 1,167 1,168 6,169 1,172 3,175 1,177 1,180 6,181 1,186 2,191 1,194 4,195 1,198 2,203 1,206 3,207 1,210 2,215 1,218 2,219 1,222 2,227 1,230 2,234 3,239 2,248 1,258 1,262 1,270 153,271 8.673,272 8.673,273 8.673,274 8.673,275 8.673,276 7.715,277 6.78,278 5.652,279 8.752,280 6.449,281 6.449,282 6.449,283 6.449,284 6.449,285 5.085,286 3.363,287 2.741,288 6.555,289 3.205,290 1.538,291 1,292 0.769,293 0.615,294 0.615,295 3.279,299 1,300 1,301 184,302 2.739,306 45.998,313 1.172,314 13.018,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 28.5,326 94,327 3.897,328 3.596,329 5.34,330 3.518,331 2.523,332 3.444,333 2.341,334 6.966,335 2.51,336 3.548,337 2.718,338 4.657,339 3.23,340 2.225,341 2.71,343 5.178,344 2.211,345 2.947,346 1.697,347 3.691,348 2.557,349 1.593,350 2.113,352 3.284,353 1.532,354 2.5,355 1.435,356 3.361,357 2.233,358 1.26,359 1.5,361 2.624,362 1.218,363 2.447,364 1,365 3.247,366 1.984,367 1,368 1.425,370 2.136,371 0.983,372 1.538,373 0.8,374 2.628,375 1.37,376 0.373,377 0.412,379 0.797,380 0.369,381 0.822,382 0.359,383 1.893,384 0.525,385 -0.47,386 -0.54,388 -1.041,389 -0.461,390 0.5,391 -0.143,392 1.555,393 0.044,394 -1,395 -1.15,397 -2,398 -0.928,399 0.478,400 -0.787,401 1.213,402 -0.049,403 -1,404 -1.424,406 -2.167,407 -0.946,408 0.175,409 -1,410 1,411 -0.064,412 -1,413 -1.5,415 -2.347,416 -1.039,417 -0.471,418 -1.302,419 0.907,420 -0.587,421 -1.581,422 -1.861,424 -3.968,425 -1.587,426 -0.5,427 -1.751,428 0.31,429 -0.925,430 -1.924,431 -2.127,432 -0.757,433 -4.672,434 -1.925,435 -0.881,436 -2,437 0.198,438 -1.035,439 -2,440 -3,441 -1.584,442 -4.789,443 -1.936,462 6.067,463 0.467,464 0.212,465 0.016,466 15,467 1.154,468 7.5,469 0.577,470 7.5,471 0.577,472 8.169,473 0.628,474 14.933,475 0.574,476 7.953,477 0.612,478 2.962,479 0.228,480 3.326,481 0.256,482 0.11,484 0.165,487 0.77,488 1.302,489 0.889,490 1.178,491 0.704,492 1.076,493 0.439,494 1.255,495 0.967,496 1.246,497 0.374,498 1.205,499 0.883,500 0.953,501 1.05,502 1.008,503 0.912,504 1.055,505 0.75,506 1.013,507 0.987,508 1.07,509 0.808,510 1.082,511 0.925,512 0.855,513 0.954,514 0.879,515 0.942,516 0.915,517 1.191,518 0.907,519 1.064,520 0.91,521 1.196,522 0.953,523 0.912,524 1.034,525 0.719,526 0.978,527 0.798,528 0.823,529 2.683,530 1.027,531 1.268,532 0.884,533 2.592,534 0.813,535 2,537 0.667,538 0.313,539 0.231,540 0.09,541 0.142,542 0.106,543 0.054,544 0.031,545 1135,546 3847,547 1.913,548 50,549 6,550 2,552 2,553 1,554 2,558 1.471,559 1.814,560 2.91,561 -0.202,565 1,567 38.886,568 1.496,569 3.162,570 3.7,571 3.931,572 4.085,573 4.085,574 2.295,575 3.085,576 3.674,577 3.014,578 235.091,579 6.027,580 1832.25,582 1,585 122.211,586 1.198,587 3.642,588 0.154,590 0.044,591 0.026,592 0.026,593 0.011,594 0.02,595 0.015,596 0.011,597 0.016,598 0.323,599 0.83,600 1,601 2.123,602 49.746,603 -0.071,604 -0.077,605 -0.014,607 -0.044,609 0.213,610 -0.139,611 -0.081,612 -0.168,613 0.249,614 -0.174,615 -0.102,616 -0.002,617 -0.123,618 -0.023,619 -0.109,620 -0.069,621 -0.031,622 -0.12,623 -0.066,624 -0.095,625 -0.069,626 -0.091,627 -0.075,628 0.031,629 0.003,630 0.042,631 -0.101,632 0.039,633 -0.156,634 0.01,635 -0.085,636 0.008,637 -0.163,638 -0.019,639 0.05,640 -0.114,641 0.267,642 -0.077,643 0.134,644 0.114,645 -0.414,646 -0.145,647 -0.084,648 -0.119,649 -0.259,650 -0.043,651 2.38,652 3.201,653 0.462,654 7.905,655 1.002,656 1.131,657 1.158,658 1.342,659 0.634,660 2.639,661 2.773,662 2.773,663 2.833,664 2.89,665 2.565,666 2.565,667 2.398,668 2.197,669 1.946,670 4.532,671 0.6,672 179.24,673 2.639,674 4.043,675 4.762,676 5.525,677 6.263,678 7.031,679 7.778,680 8.547,681 9.299,682 10.068,683 3.8,693 1,699 4,700 1,704 1,706 6,724 26,726 7,728 13,730 26,731 10,733 5,739 1,740 1,751 4,753 6,754 4,756 1,761 1,765 1,772 13,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 13,845 1,846 4,862 7.7,864 1,865 1,869 7.167,870 4.4,871 3.083,872 1.614,874 1.227,875 1.248,876 0.872,877 4.133,878 6.182,879 2.89,880 3.277,881 3.548,882 3.924,883 4.317,884 3.774,885 3.841,886 3.841,887 3.841,888 3.841,889 0.8,890 12,891 4.769,892 -0.003,893 1.856,894 8.064,895 9.007,896 -0.001,897 6.786,898 -0.002,899 2.564,900 33.333,901 0.006,904 141.253,905 51.281,906 16.786,908 67.828,911 51.281,912 209.081,913 16.786,915 10.138,916 18.952,917 109.066,918 21.28,920 117.711,922 141.253,923 68.066,924 67.828,927 141.253,928 67.828,931 28.233,932 23.048,933 16.786,935 141.253,936 84.614,937 51.281,940 141.253,941 14.234,942 37.047,944 84.614,945 141.253,946 84.614,947 51.281,949 0.537,950 0.261,951 0.127,952 0.066,953 5,954 2,955 0.192,956 5,958 1,959 2.644,960 64.445,962 6,963 44.106,968 9.877,969 5.44,970 4.386,972 84.614,973 7.431,974 3.908,978 1.223,980 42.683,981 277.148,982 17,987 10.201,991 -0.713,994 26.058,995 29.408,996 0.318,997 0.673,998 0.787,999 0.836,1000 0.869,1001 0.869,1002 3.998,1003 -1,1004 4.635,1005 -1.041,1006 3.434,1007 3.951,1008 2.258,1009 5.165,1010 3.406,1011 5.101,1012 -1,1013 6.014,1014 -2,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.305,1021 -1,1022 7.484,1023 -2.167,1024 4.745,1025 5.856,1026 3.628,1027 8.429,1028 4.701,1029 7.538,1030 -1.581,1031 9.008,1032 -2.347,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.595,1038 8.799,1039 -1.924,1040 10.569,1041 -3.968,1042 6.282,1043 8.026,1044 5.201,1045 11.995,1046 6.228,1047 10.078,1048 -2,1049 12.156,1050 -4.672,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.526,1056 11.372,1058 13.762,1059 -4.789,1060 7.93,1061 10.32,1062 6.849,1063 15.709,1064 7.867,1065 2.523,1067 15.382,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.401,1074 2.225,1075 6.966,1076 17.012,1078 9.64,1079 12.675,1080 8.526,1081 19.503,1082 9.57,1083 1.593,1084 5.178,1085 18.65,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.247,1092 1.26,1093 3.284,1094 20.295,1095 2.71,1096 11.391,1097 15.066,1098 10.216,1099 23.34,1100 11.313,1101 1,1102 2.624,1103 21.944,1104 2.113,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.08,1110 0.373,1111 2.136,1112 23.597,1113 1.5,1114 13.17,1115 17.481,1116 11.912,1117 27.198,1118 13.083,1119 -0.47,1120 0.797,1121 25.254,1122 1.425,1123 13.982,1124 18.446,1125 12.755,1126 29.12,1127 13.906,1128 1237,1129 2325,1130 8.436,1131 16.483,1132 18.063,1133 18.232,1134 18.155,1135 17.967,1136 17.948,1137 23.206,1138 4.682,1139 41.97,1140 17.644,1141 4.778,1142 5.596,1143 5.142,1144 4.553,1145 4.523,1146 6.444,1147 3.925,1148 11.754,1149 4.446,1150 5.92,1151 1.389,1152 1.402,1153 1.397,1154 1.382,1155 1.381,1156 1.785,1157 0.36,1158 3.228,1159 1.357,1160 3.907,1161 3.95,1162 3.829,1163 3.812,1164 7.474,1165 3.81,1166 3.672,1167 3.717,1168 3.56,1169 3.512,1170 6.351,1171 3.511,1172 3.32,1173 3.359,1174 3.194,1175 3.085,1176 4.898,1177 3.103,1178 2.881,1179 2.941,1180 2.723,1181 2.735,1182 4.083,1183 2.715,1184 2.854,1185 2.925,1186 2.687,1187 2.603,1188 3.739,1189 2.628,1190 2.501,1191 2.595,1192 2.275,1193 2.204,1194 3.674,1195 2.215,1196 2.195,1197 2.334,1198 1.84,1199 1.826,1200 3.223,1201 1.798,1202 1.992,1203 2.116,1204 1.704,1205 1.516,1206 2.606,1207 1.467,1208 0.3,1209 0.277,1210 0.411,1211 0.271,1212 0.194,1213 3.897,1214 0.265,1215 3.596,1216 0.18,1217 5.34,1218 0.536,1219 3.518,1220 0.193,1221 2.523,1222 3.444,1223 2.341,1224 6.966,1225 2.51,1226 1.883,1227 1.844,1228 2.04,1229 2.006,1230 1.329,1231 2.018,1232 1.645,1233 1.595,1234 1.855,1235 1.833,1236 1.008,1237 1.841,1238 1.245,1239 1.197,1240 1.506,1241 1.515,1242 0.665,1243 1.505,1244 0.886,1245 0.821,1246 1.181,1247 1.133,1248 0.221,1249 1.123,1250 0.793,1251 0.736,1252 1.1,1253 1.062,1254 0.218,1255 1.107,1256 0.445,1257 0.359,1258 0.82,1259 0.804,1261 0.826,1262 0.195,1263 0.058,1264 0.702,1265 0.596,1267 0.645,1270 0.631,1271 0.432,1273 0.508,1274 3.296,1276 4.466,1278 5.808,1280 7.226,1282 8.682,1289 8.401,1290 2.884,1300 15.612,1301 38.886,1302 82.211,1303 96.211,1304 102.211,1305 106.211,1306 106.211,1307 21.03,1308 4.956,1309 50.19,1310 50.19,1311 6,1312 10.695,1313 3,1314 2.322,1315 25.207,1316 35,1317 27,1318 0.359,1319 102.378,1320 176.32,1321 241.561,1322 649,1324 9.519,1325 0.732,1326 0.572,1327 9.519,1328 7.441,1329 6.288,1330 0.484,1331 0.338,1332 4.349,1333 6.061,1334 4.263,1335 3.57,1336 6.288,1337 4.395,1338 5.182,1339 0.345,1340 0.197,1341 5.182,1342 2.956,1343 3.369,1344 0.225,1345 0.124,1346 3.369,1347 1.855,1348 2.461,1349 0.154,1350 0.072,1351 2.461,1352 1.155,1353 1.801,1354 0.106,1355 0.042,1356 1.801,1357 0.716,1358 0.572,1359 39.381,1360 0.344,1361 13.87,1362 0.938,1363 56,1364 193.53,1365 61.816,1366 184.946,1367 233.91,1368 170,1369 58,1370 152.779,1371 61.99,1372 154.154,1373 213.24,1374 144,1375 6} {0 CHEMBL543915,1 1.758,2 12.276,3 2.881,4 8.301,5 106.79,6 8.106,7 0.4,8 4.037,9 4.134,10 3.791,11 3.571,12 5.215,13 3.534,14 4.573,15 4.717,16 4.035,17 3.945,18 6.037,19 3.878,20 4.875,21 5.082,22 4.052,23 4.09,24 6.009,25 3.984,26 4.965,27 5.184,28 4.002,29 4.059,30 6.146,31 3.953,32 4.928,33 5.162,34 3.975,35 4.027,36 6.023,37 3.907,38 4.871,39 5.094,40 4.066,41 4.027,42 5.962,43 3.908,44 4.899,45 5.101,46 4.051,47 4.008,48 6.423,49 3.926,50 4.797,51 5.011,52 3.848,53 3.964,54 5.947,55 3.867,56 0.235,57 0.762,58 12.579,59 5.162,60 30.127,61 6.018,62 0.6,63 1.169,64 20.551,65 8.66,66 116.976,67 10.613,68 0.611,69 1.444,70 34.283,71 11.861,72 100.349,73 14.786,74 0.884,75 1.473,76 38.036,77 11.782,78 149.593,79 14.771,80 0.871,81 1.432,82 37.465,83 11.334,84 150.376,85 14.57,86 0.78,87 1.397,88 38.227,89 11.599,90 119.608,91 14.545,92 1.23,93 1.354,94 35.293,95 10.914,96 234.723,97 13.779,98 0.649,99 1.281,100 30.744,101 10.336,102 110.667,103 13.207,104 46,105 40,106 0.293,107 0.624,108 0.772,109 0.86,110 0.873,111 0.873,112 3.407,113 1.064,114 -3.15,115 -3.14,116 -3.02,118 36.5,120 5,121 1,124 1,140 6,141 1,142 2,143 2,154 1,162 2,163 1,167 1,168 10,169 1,171 2,172 5,175 3,177 2,180 9,181 1,186 13,191 5,194 8,195 1,198 12,203 5,206 5,207 1,210 6,213 1,215 3,218 6,219 1,221 2,222 6,225 1,227 2,229 9,230 1,233 6,234 6,237 2,239 2,242 10,243 1,247 7,252 1,253 1,255 9,256 1,259 9,260 1,262 1,263 1,264 1,267 6,268 1,270 1617,271 18.905,272 18.905,273 18.905,274 18.905,275 18.905,276 16.68,277 15.571,278 11.445,279 19.193,280 14.784,281 14.784,282 14.784,283 14.784,284 14.784,285 11.446,286 10.988,287 5.42,288 15.251,289 3.943,290 1.954,291 1.067,292 0.538,293 0.462,294 0.462,295 4.07,299 1,300 1,301 720,302 4.848,306 236.607,313 1.841,314 51.942,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.67,323 0.5,324 0.71,325 65.5,326 356,327 4.846,328 4.684,329 7.294,330 4.296,331 3.378,332 4.699,333 2.612,334 12.408,335 3.075,336 4.216,337 3.777,338 6.134,339 3.821,340 2.827,341 3.895,342 2.341,343 9.021,344 2.806,345 4.068,346 3.596,347 5.915,348 3.685,349 2.716,350 3.547,352 8.156,353 2.628,354 3.55,355 3.066,356 4.901,357 3.24,358 2.235,359 2.838,361 5.23,362 2.222,363 3.433,364 2.207,365 4.659,366 2.918,367 1.942,368 2.71,370 5.184,371 1.894,372 3.211,373 1.967,374 4.489,375 2.808,376 1.818,377 2.39,379 4.638,380 1.798,381 2.796,382 1.729,383 3.81,384 2.552,385 1.561,386 1.841,388 3.209,389 1.542,390 2.711,391 1.63,392 3.652,393 2.183,394 1.21,395 1.735,397 2.826,398 1.174,399 2.5,400 1.261,401 3.503,402 2.108,403 1.116,404 1.5,406 2.661,407 1.104,408 2.5,409 1.1,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.471,418 1,419 3.257,420 1.956,421 1,422 1.453,424 2.136,425 0.953,426 1.918,427 1,428 3.247,429 1.807,430 0.823,431 0.868,433 1.783,434 0.805,435 1.468,436 1,437 2.859,438 1.295,439 0.324,440 0.353,442 0.743,443 0.313,444 1,445 0.71,446 2.617,447 0.723,448 -0.274,449 -0.291,451 -0.61,452 -0.27,453 1,454 0.424,455 2.296,456 0.459,457 -0.501,458 -0.695,460 -1.194,461 -0.471,462 13.533,463 0.467,464 0.793,465 0.027,466 37,467 1.276,468 19.5,469 0.672,470 17.5,471 0.603,472 24.015,473 0.828,474 33.267,475 0.64,476 29.959,477 1.033,478 6.964,479 0.24,480 6.829,481 0.235,482 0.148,483 0.062,484 0.214,487 0.483,488 1.292,489 0.815,490 1.258,491 0.618,492 1.019,493 0.435,494 1.2,495 0.88,496 1.142,497 0.402,498 1.138,499 0.762,500 1.161,501 1.054,502 1.171,503 0.687,504 1.074,505 1.066,506 1.06,507 1.105,508 1.039,509 1.011,510 1.056,511 0.964,512 0.916,513 1.032,514 0.942,515 0.934,516 0.972,517 0.73,518 1.011,519 1.088,520 1.174,521 0.781,522 1.016,523 0.809,524 0.861,525 0.994,526 0.918,527 0.827,528 0.955,529 0.883,530 1.036,531 1.021,532 1.053,533 0.858,534 1.064,535 6.5,536 0.239,537 3.778,538 1.688,539 0.933,540 1.076,541 0.753,542 0.372,543 0.279,544 0.234,545 10314,546 39359,547 1.93,548 44.2,549 8,550 8,552 2,553 2,554 2,555 1,558 1.722,559 1.785,560 3.556,561 0.33,562 1,563 1,567 91.406,568 1.758,569 3.746,570 4.633,571 5.162,572 5.239,573 5.239,574 3,575 4.375,576 4.823,577 3.763,578 1527.96,579 8.419,580 21821.1,582 1,584 1,585 296.423,586 1.581,587 4.765,588 0.217,589 0.009,590 0.094,591 0.042,592 0.026,593 0.032,594 0.021,595 0.01,596 0.008,597 0.008,598 0.467,599 0.33,600 0.75,601 1.741,602 149.699,603 0.137,604 -0.001,605 0.179,606 -0.003,607 -0.057,608 0.027,609 0.272,610 -0.054,611 0.004,612 -0.063,613 0.286,614 -0.12,615 -0.042,616 -0.137,617 -0.023,618 -0.079,619 0.013,620 -0.027,621 -0.161,622 -0.089,623 -0.091,624 -0.04,625 -0.102,626 -0.058,627 -0.115,628 0.054,629 -0.001,630 0.058,631 -0.105,632 0.036,633 0.044,634 0.002,635 0.07,636 -0.042,637 -0.035,638 0.031,639 0.193,640 0.109,641 0.001,642 0.064,643 0.203,644 0.027,645 -0.099,646 -0.051,647 -0.094,648 -0.061,649 -0.089,650 -0.043,651 4.74,652 5.538,653 0.414,654 32.889,655 1.023,656 1.131,657 1.916,658 3.669,659 0.654,660 3.434,661 3.714,662 3.85,663 3.951,664 4.111,665 4.174,666 4.248,667 4.025,668 4.078,669 4.159,670 7.349,671 0.631,672 421.52,673 3.434,674 4.949,675 5.746,676 6.589,677 7.41,678 8.26,679 9.093,680 9.947,681 10.787,682 11.645,683 5.8,685 1,693 1,694 1,699 8,700 1,704 3,706 12,718 1,724 52,726 17,727 1,728 30,730 53,731 19,733 11,734 2,735 4,739 2,740 2,751 5,753 12,754 7,755 1,756 5,759 1,760 1,761 5,765 1,769 1,772 23,773 8,774 2,775 10,776 1,779 3,784 1,785 6,795 1,802 2,818 1,830 1,832 2,834 1,840 29,844 1,845 1,846 6,847 1,850 1,862 11.5,864 1,865 3,868 2,869 16.25,870 8.85,871 6.514,872 3.092,874 1.947,875 1.291,876 0.913,877 8.558,878 8.627,879 3.738,880 4.29,881 4.654,882 5.053,883 5.501,884 5.668,885 6.048,886 5.392,887 5.607,888 5.96,889 1,890 40,891 11.019,893 4.925,894 8.342,895 19.78,897 15.954,899 2.842,900 82.417,903 1,904 247.193,905 103.941,906 38.861,908 162.888,910 5.807,911 98.134,912 410.081,913 38.861,914 5.67,915 14.778,916 79.07,917 153.379,918 25.588,920 223.651,921 50.747,922 247.193,923 136.994,924 162.888,925 5.807,927 235.422,928 123.912,929 50.747,931 49.278,932 65.26,933 28.263,935 247.193,936 201.749,937 103.941,939 5.807,940 247.193,941 23.181,942 80.622,943 16.405,944 179.674,945 247.193,946 201.749,947 103.941,949 0.574,950 0.308,951 0.142,952 0.075,953 15,954 8,955 0.226,956 12,958 1,959 4.026,960 227.972,962 12,963 132.881,967 1,968 22.792,969 10.889,970 7.446,972 196.079,973 11.658,974 4.083,978 0.658,980 59.088,981 552.883,982 41,985 -0.591,986 -3.823,987 57.119,991 -0.829,994 53.182,995 58.823,996 0.308,997 0.657,998 0.813,999 0.906,1000 0.919,1001 0.919,1002 4.949,1003 1.21,1004 5.746,1005 3.209,1006 4.394,1007 4.977,1008 3.033,1009 6.532,1010 4.33,1011 6.164,1012 1.116,1013 7.307,1014 2.826,1015 4.111,1016 5.047,1017 2.946,1018 7.738,1019 3.958,1020 7.496,1021 1,1022 8.993,1023 2.661,1024 6.014,1025 7.228,1026 4.609,1027 10.706,1028 5.846,1029 8.874,1030 1,1031 10.76,1032 2.275,1033 6.567,1034 8.139,1035 5.015,1036 12.782,1037 6.277,1038 10.292,1039 0.823,1040 12.583,1041 2.136,1042 7.995,1043 9.88,1044 6.334,1045 15.386,1046 7.681,1047 11.74,1048 0.324,1049 14.443,1050 1.783,1051 8.91,1052 11.138,1053 6.969,1054 17.749,1055 8.467,1056 13.211,1057 -0.274,1058 16.332,1059 0.743,1060 10.173,1061 12.737,1062 8.122,1063 20.274,1064 9.681,1065 3.378,1066 -0.501,1067 18.24,1068 -0.61,1069 11.247,1070 14.144,1071 8.883,1072 22.733,1073 10.63,1074 2.827,1075 12.408,1076 20.164,1077 -1.194,1078 12.456,1079 15.696,1080 9.946,1081 25.244,1082 11.769,1083 2.716,1084 9.021,1085 22.1,1086 4.699,1087 13.6,1088 17.172,1089 10.78,1090 27.738,1091 12.795,1092 2.235,1093 8.156,1094 24.045,1095 3.895,1096 14.797,1097 18.71,1098 11.794,1099 30.25,1100 13.904,1101 1.942,1102 5.23,1103 25.998,1104 3.547,1105 15.973,1106 20.219,1107 12.672,1108 32.758,1109 14.968,1110 1.818,1111 5.184,1112 27.957,1113 2.838,1114 17.17,1115 21.755,1116 13.659,1117 35.272,1118 16.069,1119 1.561,1120 4.638,1121 29.92,1122 2.71,1123 18.362,1124 23.28,1125 14.565,1126 37.785,1127 17.152,1128 10514,1129 20761,1130 19.068,1131 34.006,1132 43.845,1133 45.93,1134 44.938,1135 43.947,1136 43.898,1137 58.662,1138 9.907,1139 120.54,1140 42.631,1141 5.802,1142 6.684,1143 7.095,1144 5.351,1145 5.378,1146 7.699,1147 4.612,1148 19.59,1149 5.075,1150 17.738,1151 1.462,1152 1.531,1153 1.498,1154 1.465,1155 1.463,1156 1.955,1157 0.33,1158 4.018,1159 1.421,1160 4.102,1161 4.094,1162 4.735,1163 4.069,1164 7.815,1165 3.99,1166 3.922,1167 3.961,1168 3.878,1169 3.829,1170 7.717,1171 3.826,1172 3.783,1173 3.787,1174 3.849,1175 3.603,1176 7.474,1177 3.59,1178 3.734,1179 3.771,1180 3.607,1181 3.595,1182 6.999,1183 3.557,1184 3.518,1185 3.559,1186 3.406,1187 3.345,1188 6.999,1189 3.341,1190 3.356,1191 3.39,1192 3.334,1193 3.062,1194 6.351,1195 3.081,1196 3.226,1197 3.243,1198 3.126,1199 2.885,1200 4.896,1201 2.963,1202 2.923,1203 2.985,1204 2.722,1205 2.735,1206 4.647,1207 2.715,1208 0.162,1209 0.156,1210 0.243,1211 0.143,1212 0.113,1213 4.846,1214 0.157,1215 4.684,1216 0.087,1217 7.294,1218 0.414,1219 4.296,1220 0.103,1221 3.378,1222 4.699,1223 2.612,1224 12.408,1225 3.075,1226 1.978,1227 1.981,1228 2.068,1229 2.101,1230 1.419,1231 2.104,1232 1.9,1233 1.863,1234 1.992,1235 2.028,1236 1.223,1237 2.032,1238 1.728,1239 1.675,1240 1.937,1241 1.894,1242 1.15,1243 1.912,1244 1.572,1245 1.569,1246 1.741,1247 1.818,1248 0.891,1249 1.804,1250 1.446,1251 1.42,1252 1.552,1253 1.683,1254 0.789,1255 1.678,1256 1.217,1257 1.17,1258 1.288,1259 1.538,1260 0.559,1261 1.5,1262 1.021,1263 1.004,1264 1.216,1265 1.361,1266 0.391,1267 1.35,1268 0.886,1269 0.821,1270 1.181,1271 1.166,1272 0.218,1273 1.176,1274 4.111,1276 5.398,1278 6.868,1280 8.419,1282 10.015,1289 8.707,1290 2.996,1291 2.562,1294 -0.124,1300 32.808,1301 91.406,1302 194.807,1303 240.913,1304 268.423,1305 272.423,1306 272.423,1307 111.984,1308 6.68,1309 142.18,1310 150.56,1311 12,1312 12.201,1313 4.17,1314 3.585,1315 65.382,1316 123,1317 135,1318 0.248,1319 210.31,1320 373.87,1321 504.917,1322 6147,1324 21.278,1325 0.734,1326 0.571,1327 21.528,1328 16.546,1329 13.793,1330 0.46,1331 0.355,1332 9.146,1333 12.359,1334 8.88,1335 7.381,1336 14.614,1337 10.635,1338 12.573,1339 0.314,1340 0.209,1341 13.896,1342 8.346,1343 9.152,1344 0.199,1345 0.129,1346 10.243,1347 5.916,1348 6.686,1349 0.131,1350 0.078,1351 7.541,1352 3.97,1353 5.009,1354 0.083,1355 0.047,1356 5.807,1357 2.849,1358 0.395,1359 95.947,1360 0.229,1361 27.982,1362 0.666,1363 140,1364 535.311,1365 194.568,1366 526.303,1367 671.93,1368 476,1369 156,1370 438.684,1371 215.201,1372 470.916,1373 667.44,1374 438,1375 6.921} {0 CHEMBL544065,1 1.771,2 9.182,3 1.688,4 2.849,5 82.421,6 8.616,7 0.458,8 3.733,9 3.849,10 3.42,11 3.257,12 4.895,13 3.258,14 4.267,15 4.436,16 3.813,17 3.668,18 5.428,19 3.643,20 4.517,21 4.704,22 3.838,23 3.795,24 5.639,25 3.734,26 4.636,27 4.875,28 3.812,29 3.722,30 5.889,31 3.67,32 4.46,33 4.647,34 3.692,35 3.65,36 5.683,37 3.589,38 4.489,39 4.72,40 3.62,41 3.497,42 5.792,43 3.424,44 4.111,45 4.341,46 3.316,47 3.332,48 5.218,49 3.255,50 4.054,51 4.254,52 3.251,53 3.217,54 5.372,55 3.142,56 0.077,57 0.574,58 5.917,59 2.959,60 7.308,61 3.683,62 0.356,63 0.905,64 12.934,65 5.012,66 19.757,67 6.53,68 0.315,69 1.037,70 20.071,71 7.252,72 35.857,73 9.26,74 0.734,75 1.053,76 26.662,77 7.349,78 93.328,79 9.716,80 0.389,81 0.917,82 18.986,83 6.699,84 53.659,85 8.207,86 0.843,87 0.865,88 24.02,89 6.211,90 98.822,91 7.76,92 0.212,93 0.663,94 13.718,95 5.078,96 24.703,97 6.884,98 0.373,99 0.593,100 14.606,101 4.456,102 46.784,103 5.61,104 17,105 34,106 0.32,107 0.705,108 0.855,109 0.898,110 0.898,111 0.898,112 3.147,113 0.913,114 -3.41,115 -3.39,116 -3.24,118 40.5,119 1,121 1,124 2,140 3,141 1,142 2,143 1,149 1,154 1,155 1,156 1,168 3,171 3,172 4,175 2,177 2,180 5,186 4,191 1,194 2,197 2,198 9,201 1,203 3,206 2,210 4,215 1,218 2,221 3,222 5,225 1,229 3,234 1,242 2,246 2,247 3,250 1,255 1,259 1,267 1,270 638,271 14.585,272 14.585,273 14.585,274 14.585,275 14.585,276 12.99,277 18.729,278 8.534,279 15.011,280 11.839,281 11.839,282 11.839,283 11.839,284 11.839,285 9.375,286 23.184,287 4.078,288 12.544,289 3.438,290 1.304,291 0.473,292 0.237,293 0.237,294 0.237,295 3.821,297 1,298 1,299 1,300 1,301 433,302 2.915,305 61.017,306 112.736,310 96.22,313 1.488,314 27.185,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.333,326 202,327 4.484,328 3.911,329 6.756,330 4.177,331 3.203,332 4.059,333 1.725,334 10.965,335 3.115,336 3.962,337 3.329,338 5.973,339 3.622,340 2.674,341 3.489,342 1.058,343 8.373,344 2.536,345 3.881,346 2.984,347 5.478,348 3.463,349 2.533,350 3.229,351 0.214,352 7.345,353 2.35,354 3.502,355 2.737,356 5.249,357 3.099,358 2.152,359 2.746,361 6.277,362 2.037,363 3.296,364 2.463,365 4.887,366 3.039,367 2.057,368 2.439,370 5.585,371 1.986,372 3.133,373 2.196,374 4.774,375 2.804,376 1.877,377 2.208,379 5.231,380 1.654,381 2.646,382 1.594,383 3.937,384 2.149,385 1.172,386 1.657,388 2.935,389 1.135,390 2.541,391 1.473,392 3.507,393 2.066,394 1.113,395 1.545,397 2.526,398 1.051,399 2.118,400 1.171,401 3.269,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.872,409 0.618,410 3,411 1.512,412 0.515,413 0.623,415 1.33,416 0.498,417 1.348,418 0.583,419 2.822,420 0.919,421 -0.073,422 -0.097,424 -0.183,425 -0.067,426 0.973,427 0.389,428 2.619,429 0.588,430 -0.324,431 -0.372,433 -0.866,434 -0.252,435 0.808,436 -0.1,437 2.352,438 0.488,439 -0.428,440 -0.515,442 -1.057,443 -0.376,444 0.49,445 -0.391,446 2.064,447 0.2,448 -0.812,449 -0.908,451 -2.024,452 -0.794,453 0.346,454 -0.61,455 1.83,456 0.012,457 -1,458 -1.438,460 -2.858,461 -0.982,462 10.481,463 0.476,464 0.63,465 0.029,466 28.75,467 1.307,468 13.5,469 0.614,470 15.25,471 0.693,472 16.597,473 0.754,474 23.719,475 0.641,476 20.162,477 0.916,478 5.63,479 0.256,480 4.911,481 0.223,482 0.179,484 0.363,487 0.69,488 1.571,489 0.577,490 1.046,491 0.517,492 0.918,493 0.607,494 0.945,495 0.666,496 0.783,497 0.512,498 0.828,499 0.934,500 1.3,501 0.962,502 1.224,503 0.872,504 1.152,505 1.106,506 0.7,507 0.803,508 0.707,509 1.104,510 0.761,511 1.277,512 1.269,513 0.979,514 1.193,515 1.441,516 1.18,517 1.286,518 0.645,519 0.945,520 0.802,521 1.65,522 0.943,523 0.685,524 1.087,525 0.583,526 0.967,527 0.685,528 0.924,529 1.145,530 1.01,531 1.162,532 1.11,533 1.294,534 1.135,535 5,536 0.048,537 2.444,538 1.972,539 1.644,540 0.702,541 0.512,542 0.224,543 0.231,544 0.047,545 4879,546 16129,547 2.043,548 40.5,549 3,550 7,551 1,552 2,553 1,556 1,558 1.645,559 1.886,560 3.164,561 -0.22,562 1,563 1,565 1,567 65.543,568 1.771,569 3.905,570 4.736,571 4.973,572 4.973,573 4.973,574 2.704,575 3.789,576 4.43,577 3.318,578 766.445,579 7.612,580 8288.97,581 1,582 1,584 1,585 192.75,586 1.495,587 4.376,588 0.208,589 0.007,590 0.072,591 0.06,592 0.053,593 0.026,594 0.024,595 0.011,596 0.014,597 0.004,598 0.479,599 0.33,600 1,601 0.65,602 100.644,603 -0.066,604 -0.354,605 0.023,606 -0.114,607 -0.028,608 -0.036,609 0.15,610 0.215,611 0.049,612 0.128,613 0.077,614 0.068,615 -0.094,616 -0.293,617 -0.092,618 -0.248,619 -0.046,620 -0.184,621 0.006,622 0.241,623 0.091,624 0.212,625 0.089,626 0.199,627 -0.2,628 -0.31,629 -0.127,630 -0.233,631 -0.175,632 -0.229,633 0.041,634 0.271,635 0.001,636 0.109,637 -0.116,638 -0.009,639 0.05,640 -0.157,641 0.176,642 0.01,643 0.09,644 0.109,645 -0.018,646 -0.063,647 -0.169,648 -0.142,649 -0.052,650 -0.179,651 2.086,652 5.479,653 0.682,654 16.727,655 1.019,656 1.131,657 2.178,658 4.744,659 0.685,660 3.219,661 3.555,662 3.807,663 4.078,664 4.234,665 4.29,666 4.317,667 4.382,668 4.407,669 4.234,670 5.432,671 0.662,672 318.79,673 3.219,674 4.762,675 5.609,676 6.494,677 7.359,678 8.248,679 9.122,680 10.012,681 10.891,682 11.784,683 10.8,690 2,691 1,693 1,699 6,700 1,704 3,705 1,706 11,723 1,724 37,726 13,727 1,728 24,730 39,731 15,733 9,734 3,735 3,736 1,739 3,740 4,741 1,744 1,745 1,753 11,754 4,755 1,756 2,761 2,765 2,768 1,769 1,772 15,773 5,774 1,775 7,776 1,778 1,779 4,782 1,784 0.667,785 2,801 1,802 2,806 1,832 2,836 1,837 1,840 22,846 2,847 1,850 1,851 1,861 1,862 5.4,865 2,869 11.667,870 6.91,871 4.778,872 2.158,874 1.959,875 1.289,876 0.975,877 4.182,878 8.75,879 3.481,880 4.039,881 4.539,882 5.059,883 5.358,884 5.559,885 5.666,886 5.884,887 6.014,888 6.05,889 1,890 33,891 8.149,893 3.527,894 7.967,895 15.195,897 12.431,899 2.467,900 54.278,904 164.795,905 86.602,906 39.82,907 39.149,908 50.29,911 86.602,912 254.234,913 39.82,914 8.825,915 25.346,916 37.476,917 103.941,918 20.389,919 16.047,920 129.482,921 39.149,922 164.795,923 126.422,924 50.29,925 39.149,927 153.024,928 62.061,931 53.737,932 55.9,933 55.934,935 164.795,936 90.11,937 125.751,940 164.795,941 22.635,942 68.991,943 18.011,944 106.224,945 164.795,946 90.11,947 125.751,949 0.588,950 0.341,951 0.188,952 0.096,953 17,954 8,955 0.103,956 4,957 1,958 1.133,959 3.399,960 172.097,961 0.133,962 15,963 98.107,968 15.067,969 6.107,970 3.182,972 88.21,973 10.123,974 3.981,978 1.397,979 1.921,980 18.011,981 380.656,982 31.5,987 24.628,991 -0.717,994 37.687,995 41.847,996 0.34,997 0.75,998 0.909,999 0.955,1000 0.955,1001 0.955,1002 4.725,1003 1.113,1004 5.609,1005 2.935,1006 4.234,1007 4.723,1008 2.123,1009 6.425,1010 4.132,1011 5.925,1012 0.618,1013 7.174,1014 2.526,1015 3.892,1016 4.511,1017 1.305,1018 7.318,1019 3.734,1020 7.225,1021 0.515,1022 8.837,1023 1.372,1024 5.832,1025 6.822,1026 2.734,1027 10.434,1028 5.645,1029 8.555,1030 -0.073,1031 10.556,1032 1.33,1033 6.275,1034 7.405,1035 2.523,1036 12.148,1037 6.053,1038 9.915,1039 -0.324,1040 12.313,1041 -0.183,1042 7.709,1043 9.195,1044 3.557,1045 14.804,1046 7.458,1047 11.296,1048 -0.428,1049 14.097,1050 -0.866,1051 8.52,1052 10.157,1053 3.693,1054 16.885,1055 8.246,1056 12.695,1057 -0.812,1058 15.901,1059 -1.057,1060 9.764,1061 11.729,1062 4.508,1063 19.379,1064 9.462,1065 3.203,1066 -1,1067 17.722,1068 -2.024,1069 10.752,1070 12.887,1071 4.834,1072 21.629,1073 10.432,1074 2.674,1075 10.965,1076 19.556,1077 -2.858,1078 11.927,1079 14.362,1080 5.528,1081 24.061,1082 11.581,1083 2.533,1084 8.373,1085 21.402,1086 4.059,1087 13.001,1088 15.623,1089 5.956,1090 26.388,1091 12.637,1092 2.152,1093 7.345,1094 23.258,1095 3.489,1096 14.154,1097 17.053,1098 6.583,1099 28.796,1100 13.766,1101 2.057,1102 6.277,1103 25.122,1104 3.229,1105 15.27,1106 18.372,1107 7.065,1108 31.158,1109 14.861,1110 1.877,1111 5.585,1112 26.992,1113 2.746,1114 16.419,1115 19.781,1116 7.656,1117 33.558,1118 15.987,1119 1.172,1120 5.231,1121 28.868,1122 2.439,1123 17.556,1124 21.132,1125 8.166,1126 35.936,1127 17.102,1128 4752,1129 8767,1130 15.72,1131 25.358,1132 36.688,1133 38.133,1134 36.991,1135 35.971,1136 35.827,1137 45.843,1138 5.995,1139 103.879,1140 33.88,1141 5.43,1142 5.911,1143 6.37,1144 5.251,1145 5.203,1146 7.059,1147 3.025,1148 18.485,1149 5.115,1150 11.191,1151 1.529,1152 1.589,1153 1.541,1154 1.499,1155 1.493,1156 1.91,1157 0.25,1158 4.328,1159 1.412,1160 4.011,1161 4.051,1162 4.047,1163 3.903,1164 7.445,1165 3.91,1166 3.92,1167 3.972,1168 3.872,1169 3.737,1170 7.412,1171 3.757,1172 3.636,1173 3.691,1174 3.677,1175 3.469,1176 4.956,1177 3.478,1178 3.401,1179 3.445,1180 3.382,1181 3.197,1182 4.924,1183 3.219,1184 3.103,1185 3.13,1186 3.152,1187 2.879,1188 4.34,1189 2.907,1190 2.853,1191 2.961,1192 2.96,1193 2.67,1194 4.15,1195 2.665,1196 2.824,1197 2.903,1198 2.654,1199 2.589,1200 3.868,1201 2.564,1202 2.728,1203 2.77,1204 2.573,1205 2.494,1206 3.585,1207 2.516,1208 0.187,1209 0.163,1210 0.281,1211 0.174,1212 0.133,1213 4.484,1214 0.169,1215 3.911,1216 0.072,1217 6.756,1218 0.457,1219 4.177,1220 0.13,1221 3.203,1222 4.059,1223 1.725,1224 10.965,1225 3.115,1226 1.931,1227 1.91,1228 2.013,1229 2.064,1230 1.305,1231 2.048,1232 1.755,1233 1.695,1234 1.943,1235 1.929,1236 1.102,1237 1.938,1238 1.43,1239 1.374,1240 1.607,1241 1.665,1242 0.745,1243 1.65,1244 1.307,1245 1.253,1246 1.469,1247 1.531,1248 0.555,1249 1.524,1250 1.238,1251 1.165,1252 1.451,1253 1.505,1254 0.413,1255 1.494,1256 0.988,1257 0.951,1258 1.239,1259 1.263,1260 0.278,1261 1.246,1262 0.849,1263 0.763,1264 1.126,1265 1.098,1266 0.197,1267 1.121,1268 0.674,1269 0.631,1270 1.038,1271 0.933,1272 0.151,1273 0.973,1274 3.892,1276 5.22,1277 2.398,1278 6.735,1279 4.443,1280 8.347,1281 6.26,1282 10.017,1284 1.984,1285 5.887,1290 1.023,1291 2.708,1294 0.109,1295 1.234,1300 24.504,1301 65.543,1302 144.485,1303 175.24,1304 183.995,1305 183.995,1306 183.995,1307 42.945,1308 6.79,1309 72.68,1310 72.68,1311 17,1312 12.314,1313 3.807,1314 3.087,1315 34.484,1316 70,1317 66,1318 0.241,1319 155.486,1320 267.49,1321 371.146,1322 7225,1323 2.7,1324 15.69,1325 0.713,1326 0.579,1327 16.19,1328 12.748,1329 10.542,1330 0.439,1331 0.304,1332 6.84,1333 9.779,1334 6.643,1335 5.514,1336 10.83,1337 7.303,1338 9.805,1339 0.288,1340 0.172,1341 10.213,1342 5.837,1343 7.945,1344 0.181,1345 0.085,1346 8.207,1347 3.755,1348 6.796,1349 0.117,1350 0.046,1351 7.031,1352 2.689,1353 4.967,1354 0.073,1355 0.025,1356 5.199,1357 1.724,1358 0.372,1359 69.638,1360 0.252,1361 21.617,1362 0.679,1363 116,1364 378.943,1365 144.44,1366 393.445,1367 517.65,1368 364,1369 136,1370 351.84,1371 159.597,1372 365.024,1373 532.8,1374 341,1375 8} {0 CHEMBL544148,1 1.639,2 12.143,3 2.97,4 8.823,5 105.928,6 7.529,7 0.414,8 4.059,9 4.16,10 3.76,11 3.595,12 5.144,13 3.545,14 4.607,15 4.767,16 3.985,17 3.954,18 5.911,19 3.873,20 4.876,21 5.085,22 4.004,23 4.104,24 5.922,25 3.981,26 4.963,27 5.188,28 3.948,29 4.097,30 6.021,31 3.961,32 4.973,33 5.224,34 3.957,35 4.08,36 5.962,37 3.933,38 4.923,39 5.158,40 4.004,41 4.06,42 6.024,43 3.92,44 4.877,45 5.088,46 3.95,47 4.039,48 6.051,49 3.925,50 4.862,51 5.075,52 3.834,53 3.994,54 6.009,55 3.89,56 0.119,57 0.759,58 14.447,59 5.595,60 22.837,61 6.769,62 0.504,63 1.172,64 23.736,65 9.125,66 86.122,67 11.472,68 0.428,69 1.443,70 35.026,71 12.265,72 76.378,73 15.407,74 0.582,75 1.517,76 37.986,77 12.349,78 102.44,79 15.926,80 0.611,81 1.524,82 39.455,83 12.373,84 98.264,85 16.356,86 0.743,87 1.449,88 39.112,89 12.259,90 105.038,91 15.818,92 0.64,93 1.392,94 37.257,95 11.735,96 110.302,97 14.528,98 0.599,99 1.339,100 33.569,101 10.735,102 102.859,103 13.798,104 35,105 38,106 0.273,107 0.603,108 0.779,109 0.864,110 0.877,111 0.877,112 3.374,113 1.103,114 -2.76,115 -2.78,116 -2.69,118 37,120 5,121 1,123 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 5,175 3,177 2,180 9,181 1,186 9,191 5,194 8,195 1,198 8,203 5,206 5,207 1,210 6,213 1,215 3,218 6,219 1,221 2,222 6,225 1,227 2,229 9,230 1,233 2,234 6,239 2,242 10,243 1,247 7,252 1,253 1,255 9,256 1,259 7,260 1,262 1,263 1,264 1,267 6,268 1,270 1504,271 18.568,272 18.568,273 18.568,274 18.568,275 18.568,276 16.648,277 14.931,278 11.308,279 18.979,280 14.243,281 14.243,282 14.243,283 14.243,284 14.243,285 11.298,286 10.496,287 5.3,288 14.821,289 4.116,290 2.139,291 1.079,292 0.57,293 0.495,294 0.495,295 4.039,299 1,300 1,301 689,302 4.637,306 227.235,313 1.745,314 40.742,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 62,326 340,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.697,333 2.341,334 12.408,335 3.072,336 4.069,337 3.596,338 6.134,339 3.82,340 2.826,341 3.548,342 0.86,343 9.021,344 2.805,345 3.882,346 3.066,347 5.346,348 3.432,349 2.482,350 3.431,352 6.907,353 2.355,354 3.55,355 2.812,356 4.83,357 3.24,358 2.235,359 2.71,361 5.185,362 2.222,363 3.223,364 2.001,365 4.659,366 2.906,367 1.93,368 2.407,370 5.021,371 1.881,372 3.115,373 1.839,374 4.485,375 2.653,376 1.684,377 2.324,379 4.602,380 1.621,381 2.712,382 1.676,383 3.657,384 2.544,385 1.554,386 1.737,388 3.206,389 1.532,390 2.5,391 1.308,392 3.523,393 2.157,394 1.183,395 1.5,397 2.695,398 1.15,399 2.5,400 1.179,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.472,409 1.013,410 3.304,411 1.956,412 1,413 1.456,415 2.136,416 0.953,417 1.919,418 1,419 3.247,420 1.815,421 0.836,422 0.873,424 1.8,425 0.814,426 1.654,427 1,428 2.918,429 1.375,430 0.501,431 0.556,433 0.836,434 0.431,435 1.467,436 0.693,437 2.751,438 1.274,439 0.315,440 0.345,442 0.654,443 0.301,444 1,445 0.415,446 2.445,447 0.722,448 -0.275,449 -0.292,451 -0.61,452 -0.27,453 0.886,454 0.202,455 2.292,456 0.373,457 -0.547,458 -0.69,460 -1.068,461 -0.491,462 13.3,463 0.475,464 0.666,465 0.024,466 33.75,467 1.205,468 17,469 0.607,470 16.75,471 0.598,472 24.439,473 0.873,474 32.3,475 0.598,476 26.371,477 0.942,478 6.422,479 0.229,480 6.998,481 0.25,482 0.138,483 0.063,484 0.188,487 0.657,488 1.381,489 0.872,490 1.326,491 0.691,492 1.069,493 0.658,494 1.115,495 0.931,496 1.062,497 0.478,498 1.068,499 0.887,500 1.145,501 1.1,502 1.147,503 0.838,504 1.063,505 1.055,506 1.116,507 1.119,508 1.071,509 1.087,510 1.09,511 0.88,512 0.948,513 0.982,514 0.962,515 0.972,516 0.97,517 0.78,518 0.972,519 1.061,520 1.038,521 0.9,522 0.954,523 1.096,524 1.011,525 1.257,526 1.114,527 1.219,528 1.004,529 1.25,530 0.985,531 1.116,532 0.978,533 1.347,534 1.024,535 6,536 0.19,537 3.333,538 1.438,539 0.893,540 1.014,541 0.63,542 0.34,543 0.279,544 0.214,545 9385,546 30560,547 1.947,548 48.1,549 8,550 11,552 2,553 2,554 2,555 1,558 1.713,559 1.816,560 3.534,561 0.282,562 1,563 1,567 88.504,568 1.639,569 3.616,570 4.676,571 5.185,572 5.259,573 5.259,574 2.999,575 3.625,576 4.772,577 3.72,578 1406.12,579 8.319,580 19533.2,582 1,584 1,585 310.764,586 1.496,587 4.724,588 0.207,589 0.008,590 0.088,591 0.038,592 0.026,593 0.031,594 0.018,595 0.009,596 0.008,597 0.007,598 0.441,599 0.33,600 0.88,601 1.746,602 142.747,603 0.03,604 -0.113,605 0.187,606 -0.063,607 -0.099,608 0.015,609 0.193,610 0.014,611 0.009,612 -0.003,613 0.267,614 -0.055,615 -0.074,616 -0.11,617 -0.051,618 -0.058,619 -0.024,620 -0.036,621 -0.143,622 -0.111,623 -0.113,624 -0.068,625 -0.114,626 -0.103,627 -0.059,628 0.046,629 0.027,630 0.022,631 -0.092,632 0.017,633 0.106,634 0.028,635 0.054,636 0.032,637 0.029,638 0.052,639 -0.091,640 0.019,641 -0.123,642 -0.025,643 -0.076,644 -0.009,645 -0.21,646 0.009,647 -0.167,648 -0.022,649 -0.194,650 -0.058,651 4.555,652 5.586,653 0.429,654 30.694,655 1.01,656 1.129,657 1.532,658 2.348,659 0.649,660 3.401,661 3.664,662 3.807,663 3.912,664 4.078,665 4.111,666 4.127,667 3.989,668 4.043,669 4.094,670 7.136,671 0.613,672 406.55,673 3.401,674 4.905,675 5.7,676 6.538,677 7.357,678 8.203,679 9.033,680 9.884,681 10.721,682 11.576,683 3.7,685 1,693 1,699 8,700 1,704 3,706 12,722 1,724 54,726 15,727 1,728 29,730 55,731 20,733 11,734 2,735 4,739 2,740 2,751 5,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 26,773 7,774 2,775 8,776 1,779 2,784 1,785 5,795 1,802 2,818 1,830 1,832 2,834 1,836 1,840 28,844 1,845 1,846 6,847 1,848 1,850 1,862 9.3,864 1,865 3,867 1,869 15.417,870 9.483,871 6.403,872 3.183,874 1.767,875 1.268,876 0.915,877 8.743,878 8.362,879 3.664,880 4.19,881 4.564,882 4.963,883 5.415,884 5.476,885 5.623,886 5.296,887 5.53,888 5.85,889 1,890 38,891 10.608,893 4.602,894 8.068,895 19.558,897 15.664,899 2.568,900 71.917,903 1,904 282.506,905 117.311,906 33.191,908 123.141,910 5.807,911 111.503,912 405.648,913 33.191,914 10.883,915 14.778,916 79.07,917 153.379,918 39.074,920 258.964,922 282.506,923 144.694,924 123.141,925 5.807,927 270.735,928 134.912,931 49.278,932 78.63,933 22.593,935 282.506,936 156.332,937 117.311,939 5.807,940 282.506,941 25.668,942 85.835,943 16.405,944 139.927,945 282.506,946 156.332,947 117.311,949 0.566,950 0.308,951 0.146,952 0.078,953 14,954 7,955 0.218,956 12,958 1,959 3.97,960 216.269,962 12,963 128.606,967 1,968 22.188,969 11.033,970 7.448,972 156.332,973 13.392,974 4.126,978 1.728,980 59.088,981 556.149,982 38,986 -3.638,987 35.785,991 -0.795,994 54.52,995 60.946,996 0.285,997 0.628,998 0.813,999 0.901,1000 0.914,1001 0.914,1002 4.868,1003 1.183,1004 5.687,1005 3.206,1006 4.344,1007 4.875,1008 2.402,1009 6.463,1010 4.266,1011 6.065,1012 1,1013 7.238,1014 2.695,1015 4.007,1016 4.879,1017 2.243,1018 7.67,1019 3.836,1020 7.386,1021 1,1022 8.916,1023 2.275,1024 5.953,1025 7.103,1026 3.657,1027 10.637,1028 5.766,1029 8.757,1030 0.836,1031 10.678,1032 2.136,1033 6.479,1034 7.979,1035 4.112,1036 12.731,1037 6.16,1038 10.171,1039 0.501,1040 12.5,1041 1.8,1042 7.927,1043 9.749,1044 5.206,1045 15.341,1046 7.587,1047 11.617,1048 0.315,1049 14.362,1050 0.836,1051 8.834,1052 10.997,1053 5.889,1054 17.718,1055 8.354,1056 13.089,1057 -0.275,1058 16.255,1059 0.654,1060 10.108,1061 12.617,1062 6.849,1063 20.249,1064 9.582,1065 3.377,1066 -0.547,1067 18.17,1068 -0.61,1069 11.183,1070 14.028,1071 7.625,1072 22.716,1073 10.526,1074 2.826,1075 12.408,1076 20.101,1077 -1.068,1078 12.4,1079 15.596,1080 8.526,1081 25.232,1082 11.674,1083 2.482,1084 9.021,1085 22.044,1086 4.697,1087 13.549,1088 17.08,1089 9.342,1090 27.73,1091 12.701,1092 2.235,1093 6.907,1094 23.996,1095 3.548,1096 14.752,1097 18.63,1098 10.216,1099 30.244,1100 13.818,1101 1.93,1102 5.185,1103 25.955,1104 3.431,1105 15.933,1106 20.147,1107 11.051,1108 32.754,1109 14.886,1110 1.684,1111 5.021,1112 27.92,1113 2.71,1114 17.136,1115 21.693,1116 11.912,1117 35.269,1118 15.993,1119 1.554,1120 4.602,1121 29.889,1122 2.407,1123 18.332,1124 23.225,1125 12.755,1126 37.783,1127 17.081,1128 9553,1129 17378,1130 18.663,1131 35.068,1132 41.748,1133 43.206,1134 42.984,1135 41.832,1136 41.846,1137 54.17,1138 6.402,1139 113.491,1140 40.276,1141 5.801,1142 6.684,1143 7.095,1144 5.349,1145 5.377,1146 7.697,1147 3.925,1148 19.582,1149 5.072,1150 15.791,1151 1.44,1152 1.49,1153 1.482,1154 1.442,1155 1.443,1156 1.868,1157 0.221,1158 3.913,1159 1.389,1160 4.083,1161 4.069,1162 4.735,1163 4.063,1164 7.717,1165 3.977,1166 3.913,1167 3.945,1168 3.849,1169 3.828,1170 7.474,1171 3.823,1172 3.734,1173 3.786,1174 3.722,1175 3.598,1176 6.999,1177 3.589,1178 3.671,1179 3.677,1180 3.607,1181 3.558,1182 6.351,1183 3.505,1184 3.503,1185 3.532,1186 3.4,1187 3.341,1188 4.898,1189 3.332,1190 3.268,1191 3.319,1192 3.132,1193 3.056,1194 4.846,1195 3.059,1196 3.179,1197 3.236,1198 2.999,1199 2.908,1200 4.331,1201 2.904,1202 2.926,1203 2.992,1204 2.722,1205 2.735,1206 4.191,1207 2.715,1208 0.167,1209 0.162,1210 0.251,1211 0.148,1212 0.116,1213 4.845,1214 0.162,1215 4.684,1216 0.081,1217 7.293,1218 0.428,1219 4.295,1220 0.106,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.072,1226 1.962,1227 1.968,1228 2.067,1229 2.056,1230 1.419,1231 2.085,1232 1.895,1233 1.861,1234 1.971,1235 1.996,1236 1.222,1237 2.016,1238 1.728,1239 1.675,1240 1.937,1241 1.894,1242 1.14,1243 1.911,1244 1.551,1245 1.535,1246 1.74,1247 1.748,1248 0.891,1249 1.761,1250 1.424,1251 1.409,1252 1.574,1253 1.639,1254 0.785,1255 1.654,1256 1.212,1257 1.161,1258 1.544,1259 1.494,1260 0.599,1261 1.513,1262 1.123,1263 1.058,1264 1.268,1265 1.375,1266 0.514,1267 1.398,1268 0.886,1269 0.821,1270 1.181,1271 1.176,1272 0.369,1273 1.189,1274 4.078,1276 5.352,1278 6.815,1280 8.361,1282 9.952,1284 1.525,1289 8.722,1290 3.37,1291 2.68,1292 5.058,1294 -0.036,1300 33.126,1301 88.504,1302 195.254,1303 252.499,1304 280.009,1305 284.009,1306 284.009,1307 90.584,1308 6.596,1309 105.59,1310 113.97,1311 12,1312 12.135,1313 4,1314 3.322,1315 61.748,1316 114,1317 128,1318 0.25,1319 212.039,1320 374.02,1321 509.136,1322 5510,1324 20.408,1325 0.729,1326 0.596,1327 20.658,1328 16.691,1329 13.42,1330 0.463,1331 0.368,1332 9.171,1333 12.078,1334 8.838,1335 7.381,1336 14.241,1337 10.659,1338 11.843,1339 0.312,1340 0.218,1341 13.167,1342 8.271,1343 8.862,1344 0.201,1345 0.135,1346 9.953,1347 5.928,1348 6.471,1349 0.132,1350 0.081,1351 7.326,1352 3.978,1353 4.912,1354 0.085,1355 0.049,1356 5.72,1357 2.845,1358 0.397,1359 92.927,1360 0.231,1361 27.167,1362 0.674,1363 134,1364 459.93,1365 185.27,1366 454.457,1367 589.71,1368 416,1369 149,1370 377.865,1371 205.04,1372 417.443,1373 592.92,1374 388,1375 6.027} {0 CHEMBL544150,1 1.718,2 12.071,3 4.107,4 16.871,5 108.871,6 8.019,7 0.414,8 4.036,9 4.136,10 3.788,11 3.621,12 5.104,13 3.556,14 4.588,15 4.745,16 4.043,17 3.997,18 5.897,19 3.896,20 4.9,21 5.12,22 4.051,23 4.139,24 5.93,25 3.99,26 4.953,27 5.187,28 3.959,29 4.087,30 5.998,31 3.938,32 4.934,33 5.181,34 4.03,35 4.071,36 5.929,37 3.918,38 4.915,39 5.147,40 4.085,41 4.071,42 6.046,43 3.935,44 4.887,45 5.116,46 3.923,47 4.053,48 6.001,49 3.919,50 4.826,51 5.048,52 3.831,53 4.028,54 5.88,55 3.89,56 0.115,57 0.739,58 13.262,59 5.509,60 23.431,61 6.605,62 0.432,63 1.164,64 22.371,65 9.309,66 82.622,67 11.679,68 0.439,69 1.449,70 39.009,71 13.255,72 82.981,73 16.385,74 0.591,75 1.487,76 40.59,77 12.889,78 108.482,79 16.116,80 0.597,81 1.48,82 41.324,83 12.607,84 100.286,85 15.788,86 0.687,87 1.434,88 41.121,89 12.548,90 112.87,91 15.768,92 0.637,93 1.385,94 36.823,95 12.112,96 111.398,97 15.206,98 0.481,99 1.319,100 34.465,101 11.598,102 89.221,103 14.693,104 33,105 38,106 0.287,107 0.599,108 0.752,109 0.853,110 0.883,111 0.883,112 3.374,113 1.15,114 -3.74,115 -3.71,116 -3.53,118 37.7,120 6,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 11,169 1,171 1,172 3,175 3,177 2,180 12,181 1,186 7,191 5,194 11,195 1,198 8,203 5,206 6,207 1,210 6,213 1,215 3,218 7,219 1,222 8,227 3,229 10,230 1,233 2,234 6,239 2,242 11,243 1,247 6,252 2,255 11,256 1,259 6,264 1,265 1,267 9,268 1,270 1572,271 18.405,272 18.405,273 18.405,274 18.405,275 18.405,276 16.432,277 12.219,278 11.309,279 18.773,280 14.316,281 14.316,282 14.316,283 14.316,284 14.316,285 11.375,286 6.485,287 5.411,288 14.979,289 4.01,290 2.146,291 1.236,292 0.632,293 0.453,294 0.453,295 4.038,297 1,299 1,300 1,301 685,302 4.637,306 228.38,313 1.872,314 40.69,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 61.333,326 338,327 4.845,328 4.684,329 7.293,330 4.294,331 3.377,332 4.697,333 2.341,334 12.408,335 3.07,336 4.069,337 3.596,338 6.134,339 3.82,340 2.826,341 3.548,343 9.021,344 2.804,345 3.834,346 3.066,347 5.149,348 3.31,349 2.399,350 3.393,352 6.32,353 2.223,354 3.55,355 2.898,356 4.743,357 3.241,358 2.235,359 2.71,361 5.184,362 2.156,363 3.221,364 2.001,365 4.659,366 2.914,367 1.937,368 2.401,370 4.875,371 1.891,372 3.073,373 1.842,374 4.482,375 2.666,376 1.683,377 2.278,379 4.553,380 1.648,381 2.769,382 1.731,383 3.738,384 2.549,385 1.602,386 1.788,388 3.405,389 1.444,390 2.533,391 1.333,392 3.523,393 2.209,394 1.228,395 1.53,397 2.741,398 1.202,399 2.5,400 1.231,401 3.414,402 2.002,403 1.019,404 1.5,406 2.275,407 1,408 2.5,409 1,410 3.349,411 2,412 1,413 1.5,415 2.184,416 0.996,417 2.112,418 1,419 3.247,420 1.955,421 1,422 1.078,424 2.136,425 0.953,426 1.626,427 0.868,428 3.039,429 1.484,430 0.514,431 0.547,433 1.155,434 0.494,435 1.189,436 0.62,437 2.679,438 1.048,439 0.064,440 0.069,442 0.142,443 0.062,444 1.119,445 0.445,446 2.465,447 0.59,448 -0.226,449 -0.284,451 -0.498,452 -0.15,453 1,454 0.188,455 2.281,456 0.433,457 -0.566,458 -0.603,460 -1.256,461 -0.556,462 13.681,463 0.489,464 0.704,465 0.025,466 33,467 1.179,468 16.5,469 0.589,470 16.5,471 0.589,472 25.808,473 0.922,474 31.919,475 0.602,476 24.77,477 0.885,478 6.01,479 0.215,480 7.372,481 0.263,482 0.15,483 0.061,484 0.183,487 0.587,488 1.323,489 0.754,490 1.197,491 0.672,492 1.004,493 0.476,494 1.187,495 0.81,496 1.063,497 0.437,498 1.103,499 0.849,500 1.114,501 1.023,502 1.097,503 0.803,504 1.038,505 1.068,506 1.068,507 0.996,508 1.009,509 1.062,510 1.027,511 0.945,512 0.928,513 0.758,514 0.856,515 0.975,516 0.913,517 0.816,518 0.999,519 0.892,520 1.04,521 0.864,522 0.957,523 1.003,524 0.902,525 0.9,526 0.904,527 1.077,528 0.944,529 0.971,530 1.02,531 0.986,532 1.01,533 0.991,534 1.051,535 6,536 0.173,537 3.333,538 1.438,539 0.853,540 0.951,541 0.589,542 0.309,543 0.23,544 0.234,545 9565,546 33336,547 1.947,548 47.2,549 10,550 8,552 2,553 2,554 2,555 1,558 1.713,559 1.816,560 3.53,561 0.282,563 1,567 91.045,568 1.718,569 3.582,570 4.492,571 5.096,572 5.275,573 5.275,574 3.071,575 4.209,576 4.772,577 3.745,578 1415.49,579 8.316,580 19808.5,582 1,584 1,585 303.58,586 1.496,587 4.724,588 0.207,589 0.007,590 0.088,591 0.039,592 0.026,593 0.029,594 0.017,595 0.009,596 0.007,597 0.008,598 0.436,599 0.33,600 0.88,601 1.817,602 143.148,603 0.037,604 -0.069,605 0.132,606 -0.031,607 -0.092,608 0.03,609 0.255,610 -0.053,611 0.006,612 -0.052,613 0.28,614 -0.11,615 -0.057,616 -0.108,617 -0.037,618 -0.049,619 -0.013,620 -0.023,621 -0.135,622 -0.08,623 -0.074,624 -0.036,625 -0.098,626 -0.054,627 -0.074,628 0.078,629 0.091,630 0.097,631 -0.089,632 0.052,633 0.076,634 -0.004,635 0.075,636 -0.024,637 0.05,638 0.034,639 -0.063,640 0.082,641 -0.039,642 0.053,643 -0.069,644 0.029,645 -0.125,646 -0.033,647 -0.12,648 -0.052,649 -0.119,650 -0.063,651 4.54,652 5.533,653 0.429,654 30.735,655 1.01,656 1.126,657 2.515,658 6.323,659 0.669,660 3.401,661 3.664,662 3.784,663 3.892,664 4.06,665 4.06,666 4.007,667 3.951,668 4.025,669 4.078,670 7.249,671 0.627,672 424.99,673 3.401,674 4.905,675 5.694,676 6.529,677 7.343,678 8.186,679 9.011,680 9.861,681 10.693,682 11.547,683 3.8,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 53,726 15,727 1,728 29,730 54,731 20,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 25,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 28,844 1,845 1,846 7,847 1,850 1,861 1,862 7.5,864 1,865 3,869 15.417,870 8.96,871 6.319,872 3.261,874 1.721,875 1.262,876 0.924,877 9.066,878 8.283,879 3.664,880 4.19,881 4.543,882 4.938,883 5.389,884 5.407,885 5.432,886 5.256,887 5.494,888 5.813,889 1,890 37,891 10.608,893 4.63,894 8.072,895 19.626,897 15.92,899 2.572,900 72.028,903 1,904 270.735,905 107.219,906 33.191,907 39.149,908 112.141,910 5.807,911 101.412,912 422.025,913 33.191,915 17.313,916 79.07,917 153.379,918 26.332,920 247.193,921 39.149,922 270.735,923 134.603,924 112.141,925 44.956,927 258.964,928 123.912,931 51.813,932 66.004,933 61.742,935 270.735,936 145.332,937 146.368,939 5.807,940 270.735,941 26.46,942 74.952,943 16.405,944 168.075,945 270.735,946 145.332,947 146.368,949 0.568,950 0.3,951 0.142,952 0.079,953 14,954 7,955 0.222,956 12,958 1,959 3.996,960 214.641,962 12,963 128.606,967 1,968 22.509,969 11.278,970 8.017,972 145.332,973 13.272,974 4.138,978 1.637,980 59.088,981 562.435,982 38,986 -3.623,987 35.626,991 -0.773,994 53.516,995 59.681,996 0.3,997 0.625,998 0.784,999 0.89,1000 0.921,1001 0.921,1002 4.868,1003 1.228,1004 5.68,1005 3.405,1006 4.344,1007 4.875,1008 2.258,1009 6.447,1010 4.253,1011 6.065,1012 1.019,1013 7.225,1014 2.741,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.783,1020 7.384,1021 1,1022 8.898,1023 2.275,1024 5.943,1025 7.096,1026 3.628,1027 10.617,1028 5.737,1029 8.751,1030 1,1031 10.658,1032 2.184,1033 6.463,1034 7.971,1035 4.112,1036 12.714,1037 6.102,1038 10.163,1039 0.514,1040 12.479,1041 2.136,1042 7.912,1043 9.741,1044 5.201,1045 15.329,1046 7.55,1047 11.608,1048 0.064,1049 14.342,1050 1.155,1051 8.817,1052 10.99,1053 5.889,1054 17.711,1055 8.305,1056 13.079,1057 -0.226,1058 16.237,1059 0.142,1060 10.093,1061 12.61,1062 6.849,1063 20.244,1064 9.546,1065 3.377,1066 -0.566,1067 18.154,1068 -0.498,1069 11.17,1070 14.022,1071 7.625,1072 22.713,1073 10.488,1074 2.826,1075 12.408,1076 20.088,1077 -1.256,1078 12.389,1079 15.591,1080 8.526,1081 25.23,1082 11.643,1083 2.399,1084 9.021,1085 22.033,1086 4.697,1087 13.539,1088 17.076,1089 9.342,1090 27.729,1091 12.671,1092 2.235,1093 6.32,1094 23.987,1095 3.548,1096 14.744,1097 18.627,1098 10.216,1099 30.243,1100 13.793,1101 1.937,1102 5.184,1103 25.948,1104 3.393,1105 15.926,1106 20.145,1107 11.051,1108 32.753,1109 14.863,1110 1.683,1111 4.875,1112 27.914,1113 2.71,1114 17.13,1115 21.691,1116 11.912,1117 35.268,1118 15.972,1119 1.602,1120 4.553,1121 29.885,1122 2.401,1123 18.327,1124 23.224,1125 12.755,1126 37.783,1127 17.061,1128 9710,1129 18312,1130 18.663,1131 35.472,1132 41.814,1133 43.428,1134 42.759,1135 42.06,1136 41.769,1137 54.078,1138 4.682,1139 112.797,1140 39.885,1141 5.807,1142 6.684,1143 7.119,1144 5.346,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.07,1150 15.841,1151 1.442,1152 1.498,1153 1.474,1154 1.45,1155 1.44,1156 1.865,1157 0.161,1158 3.89,1159 1.375,1160 4.081,1161 4.068,1162 4.736,1163 4.067,1164 7.717,1165 3.98,1166 3.913,1167 3.945,1168 3.925,1169 3.83,1170 7.474,1171 3.824,1172 3.754,1173 3.808,1174 3.849,1175 3.623,1176 6.999,1177 3.611,1178 3.655,1179 3.672,1180 3.621,1181 3.576,1182 6.351,1183 3.51,1184 3.546,1185 3.573,1186 3.44,1187 3.395,1188 4.931,1189 3.381,1190 3.324,1191 3.356,1192 3.221,1193 3.144,1194 4.892,1195 3.139,1196 3.054,1197 3.111,1198 3.147,1199 2.815,1200 4.272,1201 2.818,1202 2.854,1203 2.925,1204 2.868,1205 2.735,1206 4.194,1207 2.715,1208 0.167,1209 0.162,1210 0.251,1211 0.148,1212 0.116,1213 4.845,1214 0.162,1215 4.684,1216 0.081,1217 7.293,1218 0.428,1219 4.294,1220 0.106,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.07,1226 1.962,1227 1.969,1228 2.072,1229 2.053,1230 1.428,1231 2.083,1232 1.895,1233 1.861,1234 1.966,1235 1.985,1236 1.264,1237 2.013,1238 1.752,1239 1.698,1240 1.949,1241 1.914,1242 1.147,1243 1.934,1244 1.572,1245 1.539,1246 1.785,1247 1.756,1248 0.978,1249 1.771,1250 1.461,1251 1.453,1252 1.614,1253 1.657,1254 0.807,1255 1.68,1256 1.258,1257 1.229,1258 1.38,1259 1.462,1260 0.638,1261 1.482,1262 0.999,1263 0.941,1264 1.181,1265 1.269,1266 0.457,1267 1.286,1268 0.886,1269 0.821,1270 1.153,1271 1.062,1272 0.257,1273 1.107,1274 4.078,1276 5.352,1278 6.808,1280 8.347,1282 9.933,1285 5.825,1289 8.683,1290 4.565,1291 2.684,1294 -0.004,1300 33.238,1301 91.045,1302 189.857,1303 238.096,1304 270.07,1305 279.58,1306 279.58,1307 93.077,1308 6.562,1309 96.36,1310 104.74,1311 12,1312 12.107,1313 4,1314 3.322,1315 61.788,1316 114,1317 138,1318 0.246,1319 216.376,1320 380.44,1321 519.718,1322 5325,1323 1.9,1324 20.408,1325 0.729,1326 0.612,1327 21.158,1328 17.124,1329 13.382,1330 0.461,1331 0.383,1332 9.319,1333 11.888,1334 8.986,1335 7.471,1336 14.492,1337 11.113,1338 12.028,1339 0.317,1340 0.233,1341 13.759,1342 8.839,1343 8.703,1344 0.202,1345 0.144,1346 10.083,1347 6.184,1348 6.337,1349 0.132,1350 0.086,1351 7.359,1352 4.14,1353 4.919,1354 0.086,1355 0.055,1356 5.995,1357 3.12,1358 0.391,1359 94.759,1360 0.231,1361 27.258,1362 0.657,1363 134,1364 442.398,1365 197.911,1366 474.41,1367 606.47,1368 432,1369 148,1370 368.182,1371 211.141,1372 417.577,1373 594.44,1374 390,1375 6.62} {0 CHEMBL544201,1 1.496,2 7.231,3 1.687,4 2.847,5 49.012,6 6.894,7 0.462,8 3.315,9 3.432,10 2.78,11 2.827,12 4.467,13 2.791,14 3.81,15 3.992,16 2.992,17 3.143,18 5.024,19 3.054,20 4.064,21 4.313,22 2.83,23 3.186,24 5.007,25 3.04,26 3.988,27 4.268,28 2.6,29 3.015,30 4.87,31 2.848,32 3.796,33 4.063,34 2.485,35 2.837,36 4.744,37 2.689,38 3.614,39 3.87,40 2.365,41 2.646,42 4.657,43 2.522,44 3.367,45 3.63,46 2.353,47 2.379,48 4.568,49 2.311,50 3.088,51 3.276,52 2.169,53 1.951,54 4.705,55 1.964,56 0.023,57 0.343,58 5.66,59 2.502,60 7.813,61 3.309,62 0.145,63 0.519,64 9.881,65 3.903,66 33.903,67 5.485,68 0.165,69 0.585,70 13.536,71 4.748,72 36.608,73 6.832,74 0.174,75 0.515,76 12.807,77 4.164,78 34.909,79 6.185,80 0.149,81 0.422,82 10.54,83 3.401,84 30.706,85 4.979,86 0.138,87 0.348,88 8.804,89 2.704,90 26.852,91 3.94,92 0.06,93 0.27,94 6.766,95 2.014,96 13.755,97 3.019,98 0.198,99 0.17,100 5.424,101 1.263,102 31.772,103 1.704,104 10,105 15,106 0.305,107 0.644,108 0.785,109 0.864,110 0.895,111 0.895,112 2.661,113 1.014,114 -2.39,115 -2.42,116 -2.37,118 38.5,120 4,140 2,141 1,143 2,154 1,163 1,167 1,168 6,169 1,172 3,175 1,177 1,180 5,181 1,186 3,191 1,194 4,195 1,198 2,203 1,206 3,207 1,210 2,215 1,218 2,219 1,222 2,227 1,229 1,230 1,234 1,235 1,239 1,243 1,246 1,247 1,250 1,252 1,270 153,271 8.673,272 8.673,273 8.673,274 8.673,275 8.673,276 7.715,277 6.78,278 5.652,279 8.744,280 6.449,281 6.449,282 6.449,283 6.449,284 6.449,285 5.085,286 3.363,287 2.741,288 6.55,289 3.205,290 1.538,291 0.846,292 0.462,293 0.308,294 0.308,295 3.279,299 1,300 1,301 184,302 2.739,306 45.998,313 1.172,314 13.173,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 28.5,326 94,327 3.897,328 3.596,329 5.34,330 3.514,331 2.523,332 3.444,333 2.341,334 6.966,335 2.5,336 3.548,337 2.718,338 4.657,339 3.23,340 2.225,341 2.71,343 5.178,344 2.211,345 2.947,346 1.697,347 3.691,348 2.569,349 1.593,350 2.113,352 3.284,353 1.551,354 2.5,355 1.435,356 3.361,357 2.248,358 1.26,359 1.5,361 2.624,362 1.239,363 2.447,364 1,365 3.247,366 1.956,367 1,368 1.425,370 2.136,371 0.953,372 1.538,373 0.8,374 2.628,375 1.372,376 0.373,377 0.412,379 0.797,380 0.37,381 0.822,382 0.359,383 1.893,384 0.52,385 -0.47,386 -0.54,388 -1.041,389 -0.457,390 0.5,391 -0.143,392 1.555,393 0.039,394 -1,395 -1.15,397 -2,398 -0.921,399 0.478,400 -0.787,401 1.213,402 -0.025,403 -1,404 -1.424,406 -2.167,407 -0.974,408 0.175,409 -1,410 1,411 -0.071,412 -1,413 -1.5,415 -2.347,416 -1.033,417 -0.471,418 -1.302,419 0.907,420 -0.591,421 -1.581,422 -1.861,424 -3.968,425 -1.58,426 -0.5,427 -1.751,428 0.31,429 -0.926,430 -1.924,431 -2.127,432 -0.757,433 -4.672,434 -1.916,435 -0.881,436 -2,437 0.198,438 -1.036,439 -2,440 -3,441 -1.584,442 -4.789,443 -1.944,462 6.067,463 0.467,464 0.212,465 0.016,466 15,467 1.154,468 7.5,469 0.577,470 7.5,471 0.577,472 8.157,473 0.627,474 14.933,475 0.574,476 7.965,477 0.613,478 2.961,479 0.228,480 3.327,481 0.256,482 0.11,484 0.165,487 0.77,488 1.302,489 0.889,490 1.178,491 0.704,492 1.076,493 0.439,494 1.255,495 0.967,496 1.246,497 0.377,498 1.205,499 0.869,500 1.044,501 1.04,502 1.053,503 0.908,504 1.08,505 0.855,506 0.89,507 0.993,508 0.93,509 0.842,510 0.975,511 0.988,512 0.914,513 1.019,514 0.939,515 1.006,516 0.977,517 1.191,518 0.907,519 1.064,520 0.91,521 1.196,522 0.953,523 0.912,524 1.034,525 0.719,526 0.978,527 0.795,528 0.823,529 2.052,530 0.828,531 1.18,532 0.875,533 2.307,534 0.892,535 2,537 0.667,538 0.313,539 0.231,540 0.09,541 0.142,542 0.106,543 0.054,544 0.031,545 1135,546 3799,547 1.913,548 50,549 6,550 2,552 2,553 1,554 2,558 1.471,559 1.814,560 2.91,561 -0.202,565 1,567 38.886,568 1.496,569 3.162,570 3.854,571 4.239,572 4.393,573 4.393,574 2.295,575 3.085,576 3.674,577 3.014,578 235.091,579 6.027,580 1832.25,582 1,585 122.211,586 1.198,587 3.642,588 0.154,590 0.044,591 0.026,592 0.026,593 0.011,594 0.02,595 0.015,596 0.011,597 0.016,598 0.323,599 0.83,600 1,601 2.123,602 49.746,603 -0.071,604 -0.077,605 -0.014,607 -0.044,609 0.213,610 -0.139,611 -0.081,612 -0.168,613 0.245,614 -0.174,615 -0.087,616 -0.097,617 -0.112,618 -0.07,619 -0.104,620 -0.095,621 -0.075,622 0.019,623 -0.05,625 -0.084,626 -0.015,627 -0.103,628 -0.003,629 -0.063,630 -0.005,631 -0.127,632 -0.023,633 -0.156,634 0.01,635 -0.085,636 0.008,637 -0.163,638 -0.019,639 0.05,640 -0.114,641 0.267,642 -0.077,643 0.137,644 0.114,645 0.183,646 0.042,647 -0.011,648 -0.068,649 0.021,650 -0.097,651 2.383,652 3.198,653 0.462,654 7.905,655 1.002,656 1.131,657 1.158,658 1.342,659 0.634,660 2.639,661 2.773,662 2.773,663 2.833,664 2.89,665 2.565,666 2.565,667 2.398,668 2.197,669 1.946,670 4.532,671 0.6,672 179.24,673 2.639,674 4.043,675 4.762,676 5.525,677 6.263,678 7.031,679 7.778,680 8.547,681 9.299,682 10.068,683 3.8,693 1,699 4,700 1,704 1,706 6,724 26,726 7,728 13,730 26,731 10,733 5,739 1,740 1,751 4,753 6,754 4,756 1,761 1,765 1,772 13,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 13,845 1,846 4,862 7.7,864 1,865 1,869 7.167,870 4.4,871 3.083,872 1.614,874 1.227,875 1.248,876 0.872,877 4.133,878 6.182,879 2.89,880 3.277,881 3.548,882 3.924,883 4.317,884 3.774,885 3.841,886 3.841,887 3.841,888 3.841,889 0.8,890 12,891 4.77,892 -0.003,893 1.858,894 8.064,895 9.007,896 -0.001,897 6.786,898 -0.002,899 2.564,900 33.333,901 0.006,904 141.253,905 51.281,906 16.786,908 67.828,911 51.281,912 209.081,913 16.786,915 10.138,916 18.952,917 109.066,918 21.28,920 117.711,922 141.253,923 68.066,924 67.828,927 141.253,928 67.828,931 28.233,932 23.048,933 16.786,935 141.253,936 84.614,937 51.281,940 141.253,941 14.234,942 37.047,944 84.614,945 141.253,946 84.614,947 51.281,949 0.537,950 0.261,951 0.127,952 0.066,953 5,954 2,955 0.192,956 5,958 1,959 2.644,960 64.445,962 6,963 48.106,968 9.877,969 5.44,970 4.386,972 84.614,973 7.46,974 3.982,978 1.174,980 42.683,981 277.148,982 17,987 10.198,991 -0.716,994 26.058,995 29.408,996 0.318,997 0.673,998 0.82,999 0.902,1000 0.935,1001 0.935,1002 3.998,1003 -1,1004 4.635,1005 -1.041,1006 3.434,1007 3.951,1008 2.258,1009 5.165,1010 3.406,1011 5.101,1012 -1,1013 6.014,1014 -2,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.305,1021 -1,1022 7.484,1023 -2.167,1024 4.745,1025 5.856,1026 3.628,1027 8.429,1028 4.698,1029 7.538,1030 -1.581,1031 9.008,1032 -2.347,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.585,1038 8.799,1039 -1.924,1040 10.569,1041 -3.968,1042 6.282,1043 8.026,1044 5.201,1045 11.995,1046 6.218,1047 10.078,1048 -2,1049 12.156,1050 -4.672,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.506,1056 11.372,1058 13.762,1059 -4.789,1060 7.93,1061 10.32,1062 6.849,1063 15.709,1064 7.849,1065 2.523,1067 15.382,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.373,1074 2.225,1075 6.966,1076 17.012,1078 9.64,1079 12.675,1080 8.526,1081 19.503,1082 9.543,1083 1.593,1084 5.178,1085 18.65,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.211,1092 1.26,1093 3.284,1094 20.295,1095 2.71,1096 11.391,1097 15.066,1098 10.216,1099 23.34,1100 11.278,1101 1,1102 2.624,1103 21.944,1104 2.113,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.036,1110 0.373,1111 2.136,1112 23.597,1113 1.5,1114 13.17,1115 17.481,1116 11.912,1117 27.198,1118 13.039,1119 -0.47,1120 0.797,1121 25.254,1122 1.425,1123 13.982,1124 18.446,1125 12.755,1126 29.12,1127 13.854,1128 1237,1129 2311,1130 8.436,1131 16.483,1132 18.063,1133 18.232,1134 18.155,1135 17.963,1136 17.948,1137 23.206,1138 4.682,1139 41.97,1140 17.648,1141 4.778,1142 5.596,1143 5.142,1144 4.55,1145 4.523,1146 6.444,1147 3.925,1148 11.754,1149 4.444,1150 5.92,1151 1.389,1152 1.402,1153 1.397,1154 1.382,1155 1.381,1156 1.785,1157 0.36,1158 3.228,1159 1.358,1160 3.906,1161 3.95,1162 3.829,1163 3.808,1164 7.474,1165 3.807,1166 3.674,1167 3.718,1168 3.561,1169 3.516,1170 6.351,1171 3.514,1172 3.328,1173 3.366,1174 3.2,1175 3.113,1176 4.895,1177 3.124,1178 2.918,1179 2.97,1180 2.756,1181 2.712,1182 4.063,1183 2.717,1184 2.756,1185 2.843,1186 2.616,1187 2.524,1188 3.809,1189 2.539,1190 2.555,1191 2.643,1192 2.311,1193 2.287,1194 3.654,1195 2.287,1196 2.221,1197 2.361,1198 1.849,1199 1.856,1200 3.191,1201 1.826,1202 1.997,1203 2.121,1204 1.714,1205 1.523,1206 2.6,1207 1.474,1208 0.3,1209 0.277,1210 0.411,1211 0.27,1212 0.194,1213 3.897,1214 0.265,1215 3.596,1216 0.18,1217 5.34,1218 0.536,1219 3.514,1220 0.192,1221 2.523,1222 3.444,1223 2.341,1224 6.966,1225 2.5,1226 1.88,1227 1.841,1228 2.038,1229 2.005,1230 1.327,1231 2.017,1232 1.648,1233 1.599,1234 1.86,1235 1.834,1236 1.003,1237 1.842,1238 1.265,1239 1.219,1240 1.524,1241 1.52,1242 0.69,1243 1.513,1244 0.87,1245 0.821,1246 1.156,1247 1.151,1248 0.283,1249 1.151,1250 0.714,1251 0.63,1252 1.015,1253 0.984,1254 0.038,1255 1.003,1256 0.525,1257 0.445,1258 0.895,1259 0.847,1261 0.875,1262 0.229,1263 0.094,1264 0.756,1265 0.638,1267 0.697,1270 0.642,1271 0.44,1273 0.517,1274 3.296,1276 4.466,1278 5.808,1280 7.226,1282 8.682,1289 8.398,1290 2.837,1300 15.612,1301 38.886,1302 82.211,1303 100.211,1304 110.211,1305 114.211,1306 114.211,1307 21.219,1308 4.956,1309 50.19,1310 50.19,1311 6,1312 10.695,1313 3,1314 2.322,1315 25.207,1316 35,1317 27,1318 0.359,1319 102.378,1320 176.32,1321 241.561,1322 649,1324 9.519,1325 0.732,1326 0.572,1327 9.519,1328 7.441,1329 6.288,1330 0.484,1331 0.338,1332 4.349,1333 6.064,1334 4.262,1335 3.572,1336 6.288,1337 4.395,1338 5.182,1339 0.345,1340 0.197,1341 5.182,1342 2.962,1343 3.369,1344 0.225,1345 0.122,1346 3.369,1347 1.829,1348 2.461,1349 0.154,1350 0.072,1351 2.461,1352 1.151,1353 1.801,1354 0.106,1355 0.042,1356 1.801,1357 0.714,1358 0.572,1359 39.381,1360 0.344,1361 13.87,1362 0.938,1363 56,1364 193.53,1365 61.816,1366 185.077,1367 233.95,1368 170,1369 58,1370 152.779,1371 62.157,1372 154.448,1373 213.64,1374 144,1375 6.301} {0 CHEMBL544377,1 1.749,2 11.444,3 3.651,4 13.331,5 104.27,6 8.219,7 0.429,8 3.983,9 4.08,10 3.761,11 3.572,12 5.072,13 3.511,14 4.529,15 4.68,16 4.02,17 3.947,18 5.871,19 3.852,20 4.837,21 5.048,22 4.027,23 4.088,24 5.897,25 3.946,26 4.893,27 5.119,28 3.933,29 4.034,30 5.967,31 3.891,32 4.872,33 5.113,34 4.005,35 4.016,36 5.896,37 3.871,38 4.852,39 5.077,40 4.061,41 4.017,42 6.017,43 3.888,44 4.822,45 5.043,46 3.896,47 3.998,48 5.967,49 3.871,50 4.757,51 4.971,52 3.831,53 3.961,54 5.871,55 3.84,56 0.122,57 0.7,58 12.189,59 5.165,60 24.191,61 6.054,62 0.439,63 1.1,64 20.475,65 8.692,66 81.942,67 10.723,68 0.458,69 1.368,70 36.619,71 12.481,72 83.325,73 15.133,74 0.615,75 1.408,76 38.287,77 12.155,78 109.769,79 14.879,80 0.617,81 1.402,82 39.009,83 11.866,84 102.542,85 14.563,86 0.7,87 1.355,88 38.771,89 11.815,90 112.514,91 14.543,92 0.653,93 1.306,94 34.528,95 11.354,96 113.52,97 13.957,98 0.469,99 1.233,100 32.192,101 10.808,102 82.739,103 13.43,104 32,105 37,106 0.296,107 0.618,108 0.774,109 0.867,110 0.881,111 0.881,112 3.339,113 1.137,114 -3.52,115 -3.5,116 -3.34,118 38,120 5,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 10,169 1,171 1,172 3,175 3,177 2,180 11,181 1,186 7,191 5,194 10,195 1,198 8,203 5,206 5,207 1,210 6,213 1,215 3,218 6,219 1,222 8,227 3,229 9,230 1,233 2,234 6,239 2,242 10,243 1,247 6,252 1,253 1,255 10,256 1,259 5,260 1,262 1,263 1,264 1,267 8,268 1,270 1377,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.725,277 12.219,278 10.809,279 18.066,280 13.816,281 13.816,282 13.816,283 13.816,284 13.816,285 10.875,286 6.485,287 5.161,288 14.479,289 3.895,290 1.992,291 1.07,292 0.52,293 0.44,294 0.44,295 4.002,297 1,299 1,300 1,301 627,302 4.528,306 217.864,313 1.679,314 40.534,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 59.333,326 309,327 4.845,328 4.684,329 7.293,330 4.294,331 3.377,332 4.697,333 2.341,334 12.408,335 3.07,336 4.069,337 3.596,338 6.134,339 3.82,340 2.826,341 3.548,343 9.021,344 2.804,345 3.834,346 3.066,347 5.149,348 3.31,349 2.399,350 3.393,352 6.32,353 2.222,354 3.55,355 2.898,356 4.743,357 3.24,358 2.235,359 2.71,361 5.185,362 2.156,363 3.22,364 1.999,365 4.659,366 2.903,367 1.928,368 2.4,370 4.874,371 1.877,372 3.073,373 1.827,374 4.481,375 2.589,376 1.635,377 2.278,379 4.55,380 1.552,381 2.712,382 1.673,383 3.656,384 2.525,385 1.548,386 1.737,388 3.206,389 1.441,390 2.5,391 1.282,392 3.517,393 2.155,394 1.18,395 1.5,397 2.694,398 1.147,399 2.5,400 1.13,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.472,409 1,410 3.284,411 1.956,412 1,413 1.456,415 2.136,416 0.953,417 1.919,418 1,419 3.247,420 1.812,421 0.831,422 0.871,424 1.794,425 0.809,426 1.469,427 0.766,428 2.871,429 1.297,430 0.33,431 0.358,433 0.754,434 0.316,435 1.119,436 0.539,437 2.642,438 0.725,439 -0.214,440 -0.253,442 -0.47,443 -0.144,444 1,445 0.359,446 2.296,447 0.586,448 -0.286,449 -0.325,451 -0.637,452 -0.275,453 0.886,454 -0.045,455 2.192,456 0.196,457 -0.775,458 -0.978,460 -1.74,461 -0.746,462 13.181,463 0.488,464 0.704,465 0.026,466 32.5,467 1.204,468 16.5,469 0.611,470 16,471 0.593,472 23.974,473 0.888,474 30.619,475 0.612,476 24.488,477 0.907,478 6.01,479 0.223,480 6.872,481 0.255,482 0.155,483 0.063,484 0.19,487 0.589,488 1.315,489 0.743,490 1.188,491 0.677,492 0.984,493 0.481,494 1.172,495 0.802,496 1.046,497 0.443,498 1.086,499 0.867,500 1.124,501 1.042,502 1.11,503 0.82,504 1.049,505 1.089,506 1.074,507 1.012,508 1.015,509 1.082,510 1.037,511 0.964,512 0.926,513 0.763,514 0.853,515 0.995,516 0.914,517 0.833,518 1.001,519 0.904,520 1.049,521 0.883,522 0.961,523 1.027,524 0.899,525 0.913,526 0.905,527 1.108,528 0.947,529 0.969,530 1.041,531 0.969,532 1.027,533 0.986,534 1.036,535 6,536 0.19,537 3.333,538 1.438,539 0.853,540 0.951,541 0.549,542 0.34,543 0.279,544 0.214,545 8460,546 30461,547 1.946,548 46,549 8,550 8,552 2,553 2,554 2,555 1,558 1.704,559 1.81,560 3.462,561 0.304,563 1,567 87.44,568 1.749,569 3.652,570 4.574,571 5.124,572 5.204,573 5.204,574 2.911,575 4.236,576 4.721,577 3.652,578 1281.91,579 8.217,580 17304.8,582 1,584 1,585 282.193,586 1.525,587 4.669,588 0.214,589 0.009,590 0.09,591 0.04,592 0.027,593 0.03,594 0.016,595 0.01,596 0.009,597 0.008,598 0.452,599 0.33,600 0.88,601 1.683,602 135.715,603 0.033,604 -0.072,605 0.132,606 -0.033,607 -0.097,608 0.032,609 0.253,610 -0.042,611 0.006,612 -0.043,613 0.278,614 -0.105,615 -0.069,616 -0.116,617 -0.052,618 -0.059,619 -0.022,620 -0.034,621 -0.151,622 -0.085,623 -0.088,624 -0.041,625 -0.112,626 -0.064,627 -0.087,628 0.083,629 0.087,630 0.101,631 -0.101,632 0.052,633 0.066,634 -0.005,635 0.068,636 -0.029,637 0.04,638 0.031,639 -0.078,640 0.087,641 -0.053,642 0.053,643 -0.091,644 0.024,645 -0.11,646 -0.057,647 -0.1,648 -0.07,649 -0.103,650 -0.05,651 4.55,652 5.495,653 0.444,654 27.852,655 1.013,656 1.125,657 2.292,658 5.251,659 0.674,660 3.367,661 3.638,662 3.761,663 3.871,664 4.043,665 4.043,666 3.989,667 3.951,668 4.007,669 4.025,670 6.872,671 0.634,672 410.96,673 3.367,674 4.875,675 5.666,676 6.506,677 7.322,678 8.168,679 8.996,680 9.847,681 10.681,682 11.537,683 4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 50,726 15,727 1,728 28,730 51,731 19,733 11,734 2,735 4,739 2,740 2,741 1,751 5,753 12,754 7,755 1,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 27,844 1,845 1,846 6,847 1,850 1,861 1,862 8,864 1,865 3,869 14.917,870 8.46,871 6.069,872 3.011,874 1.751,875 1.269,876 0.925,877 8.391,878 8.256,879 3.638,880 4.174,881 4.533,882 4.931,883 5.384,884 5.402,885 5.428,886 5.261,887 5.503,888 5.81,889 0.875,890 36,891 10.232,893 4.492,894 8.112,895 18.81,897 15.254,899 2.612,900 70.528,902 1,903 1,904 247.193,905 104.685,906 33.191,907 39.149,908 112.141,910 5.807,911 98.877,912 398.483,913 33.191,915 14.778,916 79.07,917 153.379,918 26.332,920 223.651,921 39.149,922 247.193,923 132.068,924 112.141,925 44.956,927 235.422,928 123.912,931 49.278,932 66.004,933 61.742,935 247.193,936 145.332,937 143.834,939 5.807,940 247.193,941 23.925,942 74.952,943 16.405,944 168.075,945 247.193,946 145.332,947 143.834,949 0.571,950 0.302,951 0.143,952 0.079,953 14,954 7,955 0.216,956 11,958 1,959 3.88,960 205.993,962 12,963 122.382,967 1,968 21.52,969 10.528,970 7.393,972 145.332,973 13.162,974 4.116,978 1.594,980 59.088,981 536.358,982 37,986 -3.633,987 35.584,991 -0.797,994 50.633,995 56.265,996 0.31,997 0.647,998 0.81,999 0.908,1000 0.922,1001 0.922,1002 4.844,1003 1.18,1004 5.659,1005 3.206,1006 4.317,1007 4.86,1008 2.258,1009 6.435,1010 4.224,1011 6.049,1012 1,1013 7.21,1014 2.694,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.783,1020 7.372,1021 1,1022 8.888,1023 2.275,1024 5.927,1025 7.091,1026 3.628,1027 10.614,1028 5.717,1029 8.743,1030 0.831,1031 10.652,1032 2.136,1033 6.463,1034 7.971,1035 4.112,1036 12.714,1037 6.102,1038 10.158,1039 0.33,1040 12.475,1041 1.794,1042 7.904,1043 9.74,1044 5.201,1045 15.329,1046 7.539,1047 11.604,1048 -0.214,1049 14.34,1050 0.754,1051 8.817,1052 10.99,1053 5.889,1054 17.711,1055 8.305,1056 13.077,1057 -0.286,1058 16.236,1059 -0.47,1060 10.09,1061 12.61,1062 6.849,1063 20.244,1064 9.541,1065 3.377,1066 -0.775,1067 18.154,1068 -0.637,1069 11.17,1070 14.022,1071 7.625,1072 22.713,1073 10.488,1074 2.826,1075 12.408,1076 20.087,1077 -1.74,1078 12.388,1079 15.591,1080 8.526,1081 25.23,1082 11.641,1083 2.399,1084 9.021,1085 22.033,1086 4.697,1087 13.539,1088 17.076,1089 9.342,1090 27.729,1091 12.671,1092 2.235,1093 6.32,1094 23.987,1095 3.548,1096 14.743,1097 18.627,1098 10.216,1099 30.243,1100 13.792,1101 1.928,1102 5.185,1103 25.948,1104 3.393,1105 15.926,1106 20.145,1107 11.051,1108 32.753,1109 14.863,1110 1.635,1111 4.874,1112 27.914,1113 2.71,1114 17.13,1115 21.691,1116 11.912,1117 35.268,1118 15.972,1119 1.548,1120 4.55,1121 29.885,1122 2.4,1123 18.327,1124 23.224,1125 12.755,1126 37.783,1127 17.061,1128 8600,1129 16485,1130 17.97,1131 33.71,1132 40.609,1133 42.107,1134 41.468,1135 40.831,1136 40.578,1137 52.893,1138 4.682,1139 110.431,1140 38.692,1141 5.801,1142 6.684,1143 7.095,1144 5.345,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.07,1150 15.347,1151 1.45,1152 1.504,1153 1.481,1154 1.458,1155 1.449,1156 1.889,1157 0.167,1158 3.944,1159 1.382,1160 4.081,1161 4.067,1162 4.736,1163 4.067,1164 7.717,1165 3.98,1166 3.913,1167 3.945,1168 3.925,1169 3.829,1170 7.474,1171 3.824,1172 3.734,1173 3.786,1174 3.849,1175 3.599,1176 6.999,1177 3.589,1178 3.653,1179 3.664,1180 3.607,1181 3.574,1182 6.351,1183 3.506,1184 3.5,1185 3.524,1186 3.402,1187 3.342,1188 4.931,1189 3.331,1190 3.253,1191 3.287,1192 3.179,1193 3.054,1194 4.892,1195 3.055,1196 2.933,1197 2.999,1198 3.11,1199 2.735,1200 4.272,1201 2.715,1202 2.854,1203 2.925,1204 2.72,1205 2.673,1206 4.184,1207 2.674,1208 0.173,1209 0.167,1210 0.26,1211 0.153,1212 0.121,1213 4.845,1214 0.168,1215 4.684,1216 0.084,1217 7.293,1218 0.443,1219 4.294,1220 0.11,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.07,1226 1.962,1227 1.969,1228 2.067,1229 2.052,1230 1.419,1231 2.082,1232 1.895,1233 1.861,1234 1.953,1235 1.984,1236 1.221,1237 2.011,1238 1.728,1239 1.675,1240 1.936,1241 1.894,1242 1.138,1243 1.911,1244 1.548,1245 1.528,1246 1.74,1247 1.734,1248 0.891,1249 1.749,1250 1.415,1251 1.404,1252 1.55,1253 1.616,1254 0.783,1255 1.635,1256 1.184,1257 1.149,1258 1.269,1259 1.399,1260 0.539,1261 1.417,1262 0.886,1263 0.821,1264 1.181,1265 1.181,1266 0.376,1267 1.193,1268 0.871,1269 0.806,1270 1.11,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.323,1278 6.786,1280 8.331,1282 9.921,1285 5.813,1289 8.706,1290 3.36,1291 2.66,1294 -0.036,1300 31.711,1301 87.44,1302 182.577,1303 228.683,1304 256.193,1305 260.193,1306 260.193,1307 87.956,1308 6.506,1309 96.36,1310 104.74,1311 12,1312 12.096,1313 4,1314 3.322,1315 58.21,1316 105,1317 121,1318 0.254,1319 206.784,1320 363.14,1321 496.312,1322 4875,1323 2,1324 19.7,1325 0.73,1326 0.608,1327 20.45,1328 16.417,1329 12.882,1330 0.46,1331 0.379,1332 8.819,1333 11.388,1334 8.496,1335 7.054,1336 13.992,1337 10.613,1338 11.674,1339 0.316,1340 0.229,1341 13.406,1342 8.486,1343 8.453,1344 0.201,1345 0.141,1346 9.833,1347 5.934,1348 6.16,1349 0.131,1350 0.084,1351 7.182,1352 3.963,1353 4.794,1354 0.086,1355 0.053,1356 5.87,1357 2.995,1358 0.402,1359 91.759,1360 0.236,1361 26.302,1362 0.688,1363 130,1364 438.398,1365 193.911,1366 470.248,1367 600.71,1368 428,1369 144,1370 364.182,1371 207.141,1372 413.415,1373 588.68,1374 386,1375 6.658} {0 CHEMBL544493,1 1.569,2 10.346,3 3.371,4 11.366,5 104.528,6 7.303,7 0.571,8 3.999,9 4.118,10 3.718,11 3.605,12 5.004,13 3.519,14 4.562,15 4.734,16 3.955,17 3.973,18 5.747,19 3.869,20 4.792,21 5.006,22 3.969,23 4.108,24 5.744,25 3.979,26 4.851,27 5.058,28 3.942,29 4.164,30 5.836,31 4.029,32 4.94,33 5.16,34 3.868,35 4.19,36 5.875,37 4.039,38 5.005,39 5.279,40 3.796,41 4.175,42 5.831,43 3.975,44 4.878,45 5.159,46 3.761,47 4.067,48 5.678,49 3.835,50 4.729,51 5.007,52 3.779,53 3.887,54 5.662,55 3.668,56 0.108,57 0.72,58 14.505,59 5.816,60 18.705,61 6.631,62 0.467,63 1.158,64 24.348,65 9.503,66 60.408,67 11.232,68 0.338,69 1.393,70 31.942,71 11.927,72 44.148,73 14.005,74 0.381,75 1.501,76 33.333,77 12.439,78 49.427,79 14.855,80 0.35,81 1.578,82 34.01,83 12.874,84 55.683,85 16.888,86 0.467,87 1.627,88 36.544,89 13.952,90 53.046,91 18.965,92 0.194,93 1.447,94 33.391,95 13.246,96 33.879,97 17.11,98 0.207,99 1.206,100 31.245,101 11.778,102 35.725,103 13.847,104 24,105 39,106 0.263,107 0.599,108 0.811,109 0.882,110 0.888,111 0.888,112 3.304,113 1.151,114 -3.7,115 -3.66,116 -3.49,118 39.2,119 2,120 2,124 3,140 6,141 3,143 2,150 2,163 2,167 1,168 9,171 1,172 8,175 2,180 8,181 1,186 8,191 1,194 8,195 2,197 1,198 6,203 2,206 12,210 2,211 1,218 16,221 2,222 3,225 1,229 11,234 3,242 4,243 4,247 9,252 4,256 4,259 8,260 1,264 4,268 2,270 1134,271 17.527,272 17.527,273 17.527,274 17.527,275 17.527,276 15.426,277 9.325,278 10.553,279 17.816,280 13.793,281 13.793,282 13.793,283 13.793,284 13.793,285 10.615,286 5.888,287 4.868,288 14.175,289 4.104,290 2.108,291 0.844,292 0.422,293 0.383,294 0.383,295 3.984,298 1,299 1,300 1,301 568,302 3.873,305 57.393,306 143.175,309 109.996,313 1.32,314 24.314,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 55.667,326 269,327 4.783,328 3.432,329 7.113,330 4.34,331 3.371,332 4.741,334 12.34,335 3.269,336 4.445,337 3.22,338 6.702,339 4.177,340 3.183,341 3.781,343 10.862,344 3.164,345 3.994,346 2.576,347 6.073,348 3.565,349 2.576,350 3.596,352 8.616,353 2.548,354 3.482,355 2.301,356 5.602,357 3.096,358 2.138,359 2.843,361 6.91,362 2.044,363 3.39,364 1.985,365 4.932,366 2.907,367 1.927,368 2.793,370 5.25,371 1.887,372 2.915,373 1.673,374 3.919,375 2.519,376 1.533,377 2.106,379 3.331,380 1.51,381 2.678,382 1.5,383 3.75,384 2.415,385 1.431,386 1.729,388 3.054,389 1.406,390 2.547,391 1.416,392 3.674,393 2.127,394 1.164,395 1.557,397 2.681,398 1.12,399 2.5,400 1.169,401 3.55,402 2.037,403 1.102,404 1.5,406 2.352,407 1.019,408 2.309,409 1.02,410 3.366,411 1.956,412 1,413 1.26,415 2.136,416 0.953,417 2.15,418 1,419 3.247,420 1.916,421 0.933,422 1.119,424 1.858,425 0.914,426 1.564,427 0.494,428 3.039,429 1.399,430 0.415,431 0.459,433 0.954,434 0.408,435 1.066,436 -0.022,437 2.76,438 0.809,439 -0.169,440 -0.193,442 -0.416,443 -0.165,444 0.794,445 -0.404,446 2.373,447 0.467,448 -0.509,449 -0.533,451 -0.821,452 -0.494,453 0.702,454 -0.482,455 2.188,456 0.393,457 -0.588,458 -0.718,460 -1.41,461 -0.575,462 12.8,463 0.492,464 0.639,465 0.025,466 31.75,467 1.221,468 15.5,469 0.596,470 16.25,471 0.625,472 23.838,473 0.917,474 28.6,475 0.561,476 22.527,477 0.866,478 5.866,479 0.226,480 6.667,481 0.256,482 0.13,483 0.078,484 0.227,487 0.997,488 1.373,489 0.857,490 1.418,491 0.878,492 1.046,493 0.712,494 1.125,495 1.017,496 1.109,497 0.506,498 0.966,499 1.228,500 0.997,501 1.095,502 1.014,503 1.073,504 0.9,505 1.187,506 1.01,507 1.251,508 1.124,509 1.2,510 1.074,511 1.046,512 1.135,513 1.063,514 1.004,515 1.177,516 1.183,517 0.557,518 0.879,519 0.793,520 0.742,521 0.63,522 0.995,523 0.485,524 1.025,525 0.787,526 0.895,527 0.484,528 1.018,529 0.843,530 0.948,531 0.835,532 0.972,533 0.841,534 0.87,535 4.5,536 0.144,537 2.889,538 2.799,539 1.303,540 0.66,541 0.385,542 0.339,543 0.44,544 0.225,545 7363,546 19641,547 2.027,548 49,549 3,550 12,552 2,553 1,555 7,558 1.694,559 1.891,560 3.27,561 -0.332,562 1,563 1,567 80.004,568 1.569,569 3.564,570 4.829,571 5.251,572 5.29,573 5.29,574 2.609,575 4.47,576 4.668,577 3.463,578 1125.59,579 8.111,580 14089.2,582 1,584 1,585 289.294,586 1.542,587 4.619,588 0.161,589 0.008,590 0.074,591 0.07,592 0.033,593 0.019,594 0.012,595 0.013,596 0.017,597 0.009,598 0.416,599 0.33,600 1,601 1.862,602 126.684,603 -0.202,604 -0.167,605 0.234,606 -0.131,607 -0.193,608 0.009,609 0.363,610 -0.016,611 0.011,612 -0.016,613 0.354,614 0.024,615 -0.133,616 0.044,617 -0.059,618 0.046,619 -0.107,620 0.08,621 -0.153,622 0.064,623 -0.246,624 -0.089,625 -0.124,626 -0.099,627 -0.162,628 -0.14,629 -0.216,630 -0.139,631 -0.181,632 -0.201,633 0.081,634 0.064,635 0.02,636 0.056,637 -0.017,638 -0.01,639 0.058,640 -0.082,641 0.117,642 0.025,643 0.041,644 -0.01,645 0.074,646 -0.009,647 0.244,648 0.096,649 0.081,650 0.12,651 4.251,652 4.848,653 0.577,654 23.556,655 0.995,656 1.124,657 2.465,658 6.077,659 0.67,660 3.367,661 3.689,662 3.951,663 4.248,664 4.443,665 4.5,666 4.644,667 4.745,668 4.745,669 4.7,670 6.114,671 0.616,672 372.44,673 3.367,674 4.905,675 5.753,676 6.648,677 7.523,678 8.431,679 9.322,680 10.237,681 11.137,682 12.055,683 3.9,691 1,693 1,698 2,699 8,700 1,704 3,705 1,706 16,724 51,726 17,727 1,728 28,730 53,731 20,733 13,734 2,735 4,739 3,740 4,745 2,751 2,753 13,754 7,756 1,761 1,767 1,768 1,769 1,772 25,773 4,774 1,775 6,776 1,779 2,784 0.667,785 3,791 1,792 1,795 1,797 1,801 1,802 2,805 1,830 1,832 2,836 2,840 26,845 1,846 5,848 1,862 5.9,863 1,865 1,866 1,869 13.75,870 9.55,871 5.833,872 3.262,873 1,874 3.184,875 1.446,876 0.973,877 6.057,878 10.317,879 3.638,880 4.259,881 4.853,882 5.503,883 6.054,884 6.387,885 6.861,886 7.274,887 7.476,888 7.7,889 0.857,890 40,891 9.807,893 4.25,894 7.736,895 18.746,897 15.523,899 2.236,900 58.139,902 1,903 1,904 290.464,905 118.215,906 18.685,908 64.317,910 7.958,911 118.215,912 346.823,913 18.685,914 17.65,915 11.767,916 101.947,917 67.513,918 28.938,919 4.901,920 258.964,922 282.506,923 136.9,924 64.317,925 7.958,927 200.109,928 102.661,929 44.053,931 49.411,932 70.702,933 24.744,935 282.506,936 83.001,937 118.215,938 7.958,939 7.958,940 282.506,941 25.612,942 94.502,944 81.102,945 282.506,946 83.001,947 126.173,949 0.571,950 0.332,951 0.19,952 0.099,953 18,954 8,955 0.151,956 8,957 1,958 1.133,959 3.716,960 215.671,961 0.133,962 15,963 120.211,968 19.008,969 8.285,970 4.33,971 2.411,972 81.102,973 16.034,974 4.263,978 3.482,979 2.296,980 37.132,981 491.681,982 37,987 11.848,993 -3.446,994 50.763,995 57.331,996 0.277,997 0.628,998 0.851,999 0.926,1000 0.933,1001 0.933,1002 4.868,1003 1.164,1004 5.765,1005 3.054,1006 4.369,1007 4.945,1009 6.64,1010 4.321,1011 6.1,1012 1.102,1013 7.365,1014 2.681,1015 4.111,1016 4.924,1018 7.888,1019 4.063,1020 7.445,1021 1,1022 9.084,1023 2.352,1024 6.057,1025 7.25,1027 10.943,1028 5.97,1029 8.838,1030 0.933,1031 10.875,1032 2.136,1033 6.661,1034 8.084,1036 12.989,1037 6.568,1038 10.268,1039 0.415,1040 12.71,1041 1.858,1042 8.109,1043 9.916,1045 15.635,1046 7.987,1047 11.726,1048 -0.169,1049 14.573,1050 0.954,1051 9.069,1052 11.132,1054 17.954,1055 8.932,1056 13.203,1057 -0.509,1058 16.454,1059 -0.416,1060 10.345,1061 12.779,1063 20.486,1064 10.182,1065 3.371,1066 -0.588,1067 18.348,1068 -0.821,1069 11.447,1070 14.175,1072 22.908,1073 11.264,1074 3.183,1075 12.34,1076 20.252,1077 -1.41,1078 12.665,1079 15.753,1081 25.408,1082 12.457,1083 2.576,1084 10.862,1085 22.164,1086 4.741,1087 13.823,1088 17.231,1090 27.872,1091 13.592,1092 2.138,1093 8.616,1094 24.081,1095 3.781,1096 15.024,1097 18.787,1099 30.365,1100 14.768,1101 1.927,1102 6.91,1103 26.003,1104 3.596,1105 16.204,1106 20.305,1108 32.848,1109 15.923,1110 1.533,1111 5.25,1112 27.929,1113 2.843,1114 17.401,1115 21.855,1117 35.342,1118 17.095,1119 1.431,1120 3.331,1121 29.858,1122 2.793,1123 18.592,1124 23.391,1126 37.834,1127 18.259,1128 7334,1129 12069,1130 18.375,1131 34.194,1132 41.795,1133 41.912,1134 43.079,1135 41.508,1136 41.547,1137 54.967,1139 120.686,1140 40.484,1141 5.713,1142 5.432,1143 6.915,1144 5.376,1145 5.371,1146 7.741,1148 19.844,1149 5.269,1150 13.151,1151 1.493,1152 1.497,1153 1.539,1154 1.482,1155 1.484,1156 1.963,1158 4.31,1159 1.446,1160 4.172,1161 4.204,1162 4.446,1163 4.094,1164 7.429,1165 4.098,1166 3.809,1167 3.849,1168 4.136,1169 3.96,1170 6.345,1171 3.718,1172 3.806,1173 3.83,1174 3.746,1175 3.716,1176 4.975,1177 3.677,1178 3.543,1179 3.599,1180 3.432,1181 3.417,1182 4.816,1183 3.376,1184 3.408,1185 3.473,1186 3.264,1187 3.281,1188 4.416,1189 3.263,1190 3.316,1191 3.383,1192 3.184,1193 3.198,1194 4.269,1195 3.135,1196 3.076,1197 3.149,1198 2.942,1199 2.913,1200 4.021,1201 2.881,1202 2.83,1203 2.903,1204 2.677,1205 2.714,1206 3.817,1207 2.695,1208 0.171,1209 0.123,1210 0.254,1211 0.155,1212 0.12,1213 4.783,1214 0.169,1215 3.432,1217 7.113,1218 0.441,1219 4.34,1220 0.117,1221 3.371,1222 4.741,1224 12.34,1225 3.269,1226 1.945,1227 1.92,1228 2.047,1229 2.047,1230 1.353,1231 2.05,1232 1.884,1233 1.849,1234 1.994,1235 1.989,1236 1.175,1237 1.996,1238 1.754,1239 1.719,1240 1.902,1241 1.86,1242 1.091,1243 1.921,1244 1.555,1245 1.508,1246 1.796,1247 1.741,1248 0.953,1249 1.776,1250 1.449,1251 1.383,1252 1.695,1253 1.64,1254 0.868,1255 1.674,1256 1.313,1257 1.249,1258 1.516,1259 1.468,1260 0.742,1261 1.543,1262 1.058,1263 1,1264 1.232,1265 1.247,1266 0.45,1267 1.303,1268 0.849,1269 0.79,1270 1.111,1271 1.044,1272 0.262,1273 1.091,1274 4.043,1276 5.361,1277 2.398,1278 6.882,1279 4.949,1280 8.497,1281 7.222,1282 10.163,1284 3.871,1289 9.738,1290 2.696,1292 4.945,1300 31.433,1301 80.004,1302 181.784,1303 246.274,1304 267.784,1305 269.784,1306 269.784,1307 47.149,1308 7.133,1309 64.35,1310 74.16,1311 17,1312 12.569,1313 4.17,1314 3.322,1315 44.201,1316 90,1317 116,1318 0.232,1319 199.452,1320 334.5,1321 478.422,1322 11060,1324 18.571,1325 0.714,1326 0.621,1327 18.821,1328 16.154,1329 12.533,1330 0.448,1331 0.384,1332 9.035,1333 11.358,1334 8.617,1335 7.173,1336 13.386,1337 10.741,1338 11.271,1339 0.289,1340 0.214,1341 12.603,1342 8.35,1343 8.964,1344 0.176,1345 0.12,1346 9.854,1347 6.105,1348 7.823,1349 0.113,1350 0.066,1351 8.526,1352 4.588,1353 5.994,1354 0.071,1355 0.035,1356 6.306,1357 2.927,1358 0.359,1359 85.77,1360 0.233,1361 24.965,1362 0.649,1363 134,1364 372.523,1365 177.454,1366 371.031,1367 508.9,1368 346,1369 157,1370 351.076,1371 207.531,1372 383.519,1373 563.58,1374 362,1375 8.046} {0 CHEMBL544571,1 1.578,2 8.318,3 4.142,4 17.156,5 92.938,6 7.645,7 0.667,8 3.802,9 3.919,10 3.444,11 3.414,12 4.894,13 3.35,14 4.306,15 4.489,16 3.848,17 3.795,18 5.304,19 3.71,20 4.469,21 4.648,22 3.912,23 3.924,24 5.488,25 3.821,26 4.62,27 4.807,28 3.898,29 3.977,30 5.64,31 3.844,32 4.616,33 4.832,34 3.753,35 3.92,36 5.6,37 3.773,38 4.518,39 4.737,40 3.683,41 3.832,42 5.507,43 3.693,44 4.519,45 4.756,46 3.547,47 3.728,48 5.503,49 3.579,50 4.417,51 4.684,52 3.083,53 3.52,54 5.306,55 3.307,56 0.04,57 0.601,58 8.958,59 3.97,60 8.809,61 5.021,62 0.136,63 0.984,64 17.636,65 6.526,66 13.299,67 8.669,68 0.102,69 1.119,70 20.616,71 8.189,72 16.639,73 10.309,74 0.267,75 1.264,76 28.843,77 9.903,78 33.683,79 11.594,80 0.259,81 1.262,82 28.492,83 9.719,84 31.597,85 11.986,86 0.223,87 1.148,88 23.413,89 8.445,90 25.986,91 10.918,92 0.267,93 1.09,94 23.932,95 8.093,96 34.443,97 10.643,98 0.191,99 0.923,100 20.917,101 7.771,102 30.852,103 10.38,104 19,105 34,106 0.278,107 0.634,108 0.814,109 0.84,110 0.866,111 0.866,112 3.148,113 1.022,114 -3.72,115 -3.69,116 -3.51,118 41.5,119 3,120 1,124 1,140 2,141 4,142 1,143 2,144 1,150 1,158 1,168 7,172 4,175 1,177 4,180 7,186 5,191 3,194 9,198 5,203 4,206 9,210 2,213 1,215 4,218 6,221 1,222 2,226 1,227 3,229 6,234 2,237 1,239 2,242 6,247 1,250 1,252 2,255 3,267 1,270 634,271 14.853,272 14.853,273 14.853,274 14.853,275 14.853,276 12.794,277 17.651,278 8.794,279 15.276,280 11.785,281 11.785,282 11.785,283 11.785,284 11.785,285 8.75,286 24.25,287 4.11,288 12.502,289 3.779,290 1.759,291 0.738,292 0.592,293 0.445,294 0.445,295 3.824,299 1,300 1,301 387,302 2.646,305 43.874,306 118.932,309 83.121,313 1.194,314 16.449,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 183,327 4.752,328 3.484,329 6.972,330 4.289,331 3.328,332 4.722,333 0.68,334 11.741,335 3.207,336 4,337 2.863,338 6.008,339 3.575,340 2.63,341 3.55,342 0.4,343 8.399,344 2.537,345 3.92,346 2.774,347 5.958,348 3.497,349 2.555,350 3.452,352 8.096,353 2.345,354 3.662,355 2.412,356 5.303,357 3.231,358 2.251,359 3.117,361 6.715,362 2.202,363 3.338,364 2.228,365 5.166,366 2.934,367 2.02,368 2.6,370 6.179,371 1.823,372 2.894,373 1.585,374 4.047,375 2.425,376 1.462,377 2.059,379 3.168,380 1.406,381 2.5,382 1.276,383 3.89,384 1.992,385 1.061,386 1.5,388 2.556,389 0.981,390 2.297,391 1.122,392 3.541,393 1.956,394 1,395 1.215,397 2.136,398 0.953,399 2.163,400 1,401 3.247,402 1.732,403 0.873,404 1.14,406 2.054,407 0.734,408 1.844,409 0.951,410 3.117,411 1.6,412 0.627,413 0.732,415 1.47,416 0.605,417 1.375,418 0.709,419 2.977,420 1.143,421 0.234,422 0.256,424 0.531,425 0.209,426 0.951,427 -0.128,428 2.64,429 0.604,430 -0.36,431 -0.428,433 -0.692,434 -0.346,435 0.662,436 -0.326,437 2,438 0.448,439 -0.484,440 -0.564,442 -1.02,443 -0.447,444 0.5,445 -0.76,446 2,447 -0.023,448 -1,449 -1.326,451 -2.347,452 -0.921,453 0.39,454 -0.852,455 1.732,456 -0.057,457 -1,458 -1.429,460 -2.683,461 -0.975,462 10.867,463 0.494,464 0.559,465 0.025,466 28.75,467 1.307,468 15,469 0.682,470 13.75,471 0.625,472 19.392,473 0.881,474 23.333,475 0.569,476 17.926,477 0.815,478 5.418,479 0.246,480 5.195,481 0.236,482 0.169,484 0.368,487 0.968,488 1.152,489 0.787,490 0.898,491 0.985,492 0.902,493 0.693,494 0.969,495 0.716,496 0.844,497 0.623,498 0.778,499 0.945,500 1.087,501 0.911,502 0.993,503 0.869,504 0.952,505 1.553,506 1.139,507 1.398,508 1.25,509 1.694,510 1.109,511 1.124,512 1.133,513 1.358,514 1.233,515 1.041,516 1.108,517 0.847,518 1.086,519 1.109,520 1.117,521 0.686,522 1.101,523 1.195,524 1.053,525 1.053,526 1.044,527 1.195,528 1.072,529 1.012,530 1.027,531 0.988,532 1.075,533 1.145,534 1.209,535 4,536 0.021,537 2.444,538 1.785,539 1.828,540 0.945,541 0.575,542 0.35,543 0.094,544 0.041,545 4355,546 11124,547 2.043,548 46.3,549 8,550 4,552 2,553 2,555 3,558 1.652,559 1.886,560 3.032,561 0.304,563 1,567 64.707,568 1.578,569 3.599,570 4.619,571 4.766,572 4.912,573 4.912,574 2.465,575 4.005,576 4.426,577 3.134,578 723.934,579 7.645,580 7721.33,582 1,584 1,585 219.66,586 1.495,587 4.376,588 0.167,589 0.007,590 0.072,591 0.05,592 0.055,593 0.032,594 0.021,595 0.015,596 0.007,597 0.007,598 0.432,599 0.33,600 1,601 1.055,602 98.932,603 -0.085,604 -0.042,605 0.055,606 0.071,607 -0.121,608 0.048,609 0.117,610 0.102,611 0.235,612 0.151,613 0.063,614 0.193,615 -0.025,616 -0.04,617 0.063,618 0.02,619 0.026,620 0.021,621 -0.215,622 -0.09,623 -0.195,624 -0.13,625 -0.234,626 -0.137,627 -0.067,628 -0.09,629 -0.214,630 -0.158,631 -0.027,632 -0.134,633 0.062,634 -0.055,635 -0.123,636 -0.135,637 0.104,638 -0.138,639 -0.031,640 -0.08,641 -0.094,642 -0.1,643 -0.002,644 -0.118,645 -0.035,646 -0.149,647 -0.132,648 -0.179,649 -0.059,650 -0.232,651 1.293,652 4.445,653 0.682,654 16.818,655 0.995,656 1.121,657 2.495,658 6.225,659 0.688,660 3.219,661 3.555,662 3.871,663 4.159,664 4.407,665 4.533,666 4.615,667 4.673,668 4.595,669 4.454,670 4.939,671 0.639,672 313.46,673 3.219,674 4.762,675 5.631,676 6.526,677 7.422,678 8.331,679 9.238,680 10.152,681 11.066,682 11.984,683 7.3,688 1,693 2,698 2,699 4,700 2,703 1,704 6,706 16,717 1,721 1,724 41,726 16,727 1,728 24,730 43,731 17,733 12,734 6,739 3,740 4,745 3,751 1,753 12,754 5,769 1,772 19,773 4,774 2,775 5,776 1,779 3,784 0.667,785 1,795 1,801 1,802 2,805 1,832 2,834 1,836 3,840 22,845 1,846 2,847 1,855 1,862 2.4,864 1,869 11.667,870 8.35,871 4.917,872 2.568,874 3.057,875 1.443,876 0.972,877 4.299,878 9.955,879 3.497,880 4.171,881 4.825,882 5.476,883 6.046,884 6.414,885 6.784,886 7.183,887 7.325,888 7.471,889 0.833,890 36,891 8.123,893 3.392,894 7.621,895 15.713,897 12.811,899 2.121,900 46.667,903 1,904 200.109,905 115.574,906 51.582,908 42.683,910 31.278,911 84.296,912 242.792,913 51.582,914 26.476,915 4.64,916 18.952,917 117.807,918 33.482,919 0.746,920 207.844,922 200.109,923 135.878,924 42.683,925 31.278,927 164.795,928 77.997,931 51.856,932 32.441,933 51.582,934 31.278,935 200.109,936 94.265,937 115.574,940 200.109,941 52.051,942 63.523,943 18.011,944 76.254,945 200.109,946 94.265,947 115.574,949 0.578,950 0.351,951 0.194,952 0.11,953 17,954 8,955 0.093,956 4,957 1,958 1.133,959 3.315,960 177.654,961 0.133,962 15,963 98.107,964 1,968 15.229,969 6.21,970 2.832,971 2.038,972 94.265,973 7.609,974 8.91,977 1.598,978 5.28,980 60.694,981 409.948,982 32,994 40.778,995 45.946,996 0.295,997 0.672,998 0.862,999 0.89,1000 0.917,1001 0.917,1002 4.727,1003 1,1004 5.631,1005 2.556,1006 4.234,1007 4.856,1008 0.809,1009 6.491,1010 4.127,1011 5.966,1012 0.873,1013 7.223,1014 2.136,1015 3.892,1016 4.808,1018 7.476,1019 3.757,1020 7.302,1021 0.627,1022 8.92,1023 2.054,1024 5.866,1025 7.18,1026 0.391,1027 10.644,1028 5.677,1029 8.68,1030 0.234,1031 10.677,1032 1.47,1033 6.365,1034 7.982,1036 12.456,1037 6.144,1038 10.093,1039 -0.36,1040 12.472,1041 0.531,1042 7.819,1043 9.836,1044 0.187,1045 15.166,1046 7.559,1047 11.53,1048 -0.484,1049 14.294,1050 -0.692,1051 8.694,1052 11.032,1054 17.333,1055 8.401,1056 12.988,1057 -1,1058 16.136,1059 -1.02,1060 9.963,1061 12.691,1062 0.089,1063 19.889,1064 9.637,1065 3.328,1066 -1,1067 17.993,1068 -2.347,1069 11.013,1070 14.078,1072 22.218,1073 10.653,1074 2.63,1075 11.741,1076 19.862,1077 -2.683,1078 12.221,1079 15.663,1080 0.042,1081 24.718,1082 11.829,1083 2.555,1084 8.399,1085 21.741,1086 4.722,1087 13.35,1088 17.14,1090 27.121,1091 12.924,1092 2.251,1093 8.096,1094 23.63,1095 3.55,1096 14.543,1097 18.7,1098 0.019,1099 29.599,1100 14.084,1101 2.02,1102 6.715,1103 25.525,1104 3.452,1105 15.709,1106 20.217,1108 32.034,1109 15.215,1110 1.462,1111 6.179,1112 27.427,1113 3.117,1114 16.9,1115 21.769,1116 0.009,1117 34.503,1118 16.372,1119 1.061,1120 3.168,1121 29.335,1122 2.6,1123 18.084,1124 23.305,1126 36.953,1127 17.52,1128 4345,1129 7053,1130 15.72,1131 28.211,1132 36.158,1133 36.793,1134 38.117,1135 36.032,1136 36.082,1137 48.685,1138 2.16,1139 106.092,1140 34.004,1141 5.518,1142 5.484,1143 6.773,1144 5.414,1145 5.328,1146 7.722,1147 1.36,1148 19.741,1149 5.207,1150 11.241,1151 1.507,1152 1.533,1153 1.588,1154 1.501,1155 1.503,1156 2.029,1157 0.09,1158 4.42,1159 1.417,1160 4.109,1161 4.122,1162 4.336,1163 4.092,1164 6.468,1165 4.06,1166 3.847,1167 3.886,1168 3.821,1169 3.76,1170 4.94,1171 3.755,1172 3.589,1173 3.662,1174 3.608,1175 3.453,1176 4.863,1177 3.424,1178 3.362,1179 3.418,1180 3.279,1181 3.252,1182 4.298,1183 3.213,1184 3.298,1185 3.366,1186 3.161,1187 3.157,1188 4.052,1189 3.148,1190 3.068,1191 3.154,1192 2.874,1193 2.914,1194 3.979,1195 2.886,1196 2.789,1197 2.884,1198 2.66,1199 2.606,1200 3.829,1201 2.584,1202 2.759,1203 2.844,1204 2.608,1205 2.508,1206 3.715,1207 2.504,1208 0.198,1209 0.145,1210 0.29,1211 0.179,1212 0.139,1213 4.752,1214 0.197,1215 3.484,1216 0.028,1217 6.972,1218 0.489,1219 4.289,1220 0.134,1221 3.328,1222 4.722,1223 0.68,1224 11.741,1225 3.207,1226 1.989,1227 1.975,1228 2.062,1229 2.06,1230 1.307,1231 2.066,1232 1.804,1233 1.772,1234 1.913,1235 1.917,1236 1.025,1237 1.92,1238 1.569,1239 1.499,1240 1.841,1241 1.801,1242 0.993,1243 1.823,1244 1.359,1245 1.304,1246 1.638,1247 1.527,1248 0.747,1249 1.573,1250 1.196,1251 1.128,1252 1.486,1253 1.417,1254 0.604,1255 1.441,1256 1.094,1257 1.046,1258 1.257,1259 1.284,1260 0.428,1261 1.318,1262 0.978,1263 0.915,1264 1.193,1265 1.149,1266 0.323,1267 1.2,1268 0.727,1269 0.641,1270 1.024,1271 1.032,1272 0.088,1273 1.007,1274 3.892,1276 5.22,1277 2.398,1278 6.756,1279 4.727,1280 8.393,1281 6.862,1282 10.09,1284 5.963,1289 10.445,1290 1.557,1291 3.268,1300 26.181,1301 64.707,1302 147.554,1303 189.395,1304 195.395,1305 201.395,1306 201.395,1307 32.8,1308 6.899,1309 58.04,1310 86.28,1311 17,1312 12.495,1313 4.087,1314 3.17,1315 34.18,1316 63,1317 74,1318 0.271,1319 166.678,1320 274.7,1321 398.455,1322 7715,1324 15.69,1325 0.713,1326 0.627,1327 16.043,1328 13.79,1329 10.613,1330 0.442,1331 0.341,1332 7.361,1333 9.911,1334 6.979,1335 5.861,1336 11.022,1337 8.174,1338 9.435,1339 0.277,1340 0.187,1341 10.077,1342 6.341,1343 8.347,1344 0.178,1345 0.106,1346 9.173,1347 4.981,1348 6.802,1349 0.108,1350 0.059,1351 7.737,1352 3.7,1353 5.438,1354 0.067,1355 0.032,1356 6.25,1357 2.56,1358 0.406,1359 69.703,1360 0.252,1361 21.197,1362 0.806,1363 116,1364 302.633,1365 150.057,1366 321.62,1367 448.96,1368 302,1369 139,1370 322.393,1371 170.316,1372 346.833,1373 510.96,1374 326,1375 8} {0 CHEMBL544722,1 1.483,2 9.158,3 2.125,4 4.516,5 76.085,6 7.324,7 0.714,8 3.673,9 3.822,10 3.243,11 3.157,12 4.769,13 3.143,14 4.19,15 4.39,16 3.518,17 3.542,18 5.156,19 3.486,20 4.388,21 4.653,22 3.334,23 3.601,24 5.162,25 3.478,26 4.411,27 4.688,28 3.235,29 3.56,30 5.185,31 3.417,32 4.335,33 4.63,34 2.997,35 3.41,36 5.07,37 3.241,38 4.171,39 4.469,40 2.899,41 3.242,42 4.913,43 3.09,44 4.001,45 4.286,46 2.82,47 3.1,48 4.805,49 2.971,50 3.845,51 4.126,52 2.808,53 2.953,54 4.715,55 2.844,56 0.087,57 0.588,58 7.494,59 2.821,60 9.81,61 4.072,62 0.159,63 0.88,64 13.621,65 4.823,66 13.642,67 7.173,68 0.169,69 0.907,70 18.217,71 6.013,72 16.526,73 9.33,74 0.182,75 0.885,76 18.945,77 6.016,78 19.908,79 9.485,80 0.2,81 0.771,82 18.023,83 5.367,84 20.76,85 8.644,86 0.177,87 0.655,88 15.369,89 4.401,90 17.654,91 7.19,92 0.156,93 0.574,94 12.737,95 3.459,96 15.544,97 5.734,98 0.15,99 0.501,100 10.822,101 3.096,102 13.703,103 5.013,105 27,106 0.271,107 0.643,108 0.779,109 0.864,110 0.885,111 0.885,112 3.008,113 0.937,114 -3.94,115 -3.9,116 -3.7,118 37.1,120 5,140 3,143 1,150 2,156 1,157 1,162 2,165 1,168 6,171 2,172 4,175 2,177 1,180 5,186 6,191 1,194 4,198 7,203 1,206 4,210 5,215 1,218 3,222 5,227 1,229 3,234 3,242 2,246 1,247 2,250 1,252 1,255 1,258 2,259 3,264 1,270 423,271 13.397,272 13.397,273 13.397,274 13.397,275 13.397,276 11.619,277 7.276,278 8.343,279 13.637,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.824,286 2.941,287 3.976,288 10.814,289 3.646,290 1.61,291 0.865,292 0.4,293 0.286,294 0.286,295 3.695,298 1,299 1,300 1,301 384,302 2.646,305 96.626,306 51.828,309 77.354,313 1.413,314 7.897,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41,326 174,327 4.509,328 3.117,329 6.512,330 3.986,331 3.045,332 4.457,334 10.214,335 2.865,336 3.92,337 2.734,338 5.352,339 3.494,340 2.542,341 3.479,343 6.997,344 2.418,345 3.5,346 2.29,347 5.203,348 3.116,349 2.136,350 2.877,352 6.251,353 2.091,354 3.048,355 1.675,356 4.138,357 2.654,358 1.659,359 2.321,361 3.717,362 1.65,363 2.798,364 1.548,365 3.761,366 2.515,367 1.548,368 1.849,370 3.416,371 1.495,372 2.544,373 1.344,374 3.473,375 2.246,376 1.252,377 1.553,379 2.689,380 1.244,381 2.5,382 1,383 3.394,384 1.924,385 1,386 1.5,388 2.234,389 0.922,390 2.139,391 0.918,392 3.203,393 1.814,394 0.84,395 1.038,397 1.928,398 0.817,399 2.118,400 0.618,401 3,402 1.591,403 0.618,404 0.927,406 1.372,407 0.6,408 1.768,409 0.503,410 2.868,411 1.453,412 0.484,413 0.614,415 1.12,416 0.468,417 1.131,418 0.01,419 2.441,420 0.893,421 -0.093,422 -0.109,424 -0.214,425 -0.092,426 0.709,427 -0.444,428 2.246,429 0.403,430 -0.581,431 -0.714,433 -1.362,434 -0.57,435 0.5,436 -0.936,437 1.81,438 -0.044,439 -1,440 -1.25,442 -2.409,443 -0.945,444 0.165,445 -1,446 1.588,447 -0.08,448 -1.062,449 -1.5,451 -2.465,452 -1.047,453 -0.094,454 -1.339,455 1.486,456 -0.485,457 -1.476,458 -1.726,460 -3.179,461 -1.451,462 8.9,463 0.468,464 0.239,465 0.013,466 24.25,467 1.276,468 12,469 0.632,470 12.25,471 0.645,472 13.374,473 0.704,474 20.5,475 0.586,476 13.056,477 0.687,478 4.63,479 0.244,480 4.803,481 0.253,484 0.213,487 0.614,488 1.234,489 0.776,490 1.133,491 0.45,492 1.004,493 0.659,494 1.144,495 0.914,496 1.18,497 0.615,498 1.102,499 0.839,500 0.926,501 0.972,502 1.012,503 0.715,504 1.013,505 0.875,506 0.964,507 1.04,508 1.077,509 0.905,510 1.084,511 0.979,512 0.904,513 1.115,514 1.056,515 1.107,516 1.1,517 1.006,518 0.868,519 1.035,520 0.949,521 1.09,522 0.989,523 1.191,524 0.928,525 1.118,526 0.967,527 1.254,528 1.021,529 0.832,530 0.92,531 0.921,532 0.965,533 1.051,534 0.959,535 2,536 0.035,537 1.556,538 0.66,539 0.418,540 0.195,541 0.09,542 0.094,543 0.082,544 0.06,545 4057,546 10922,547 2.178,548 45.7,549 6,550 3,552 2,553 1,554 4,558 1.592,559 2.151,560 3.167,561 -0.198,563 1,565 1,567 51.909,568 1.483,569 3.52,570 4.265,571 4.729,572 4.844,573 4.844,574 2.46,575 3.932,576 4.224,577 3.362,578 574.931,579 7.138,580 6052.85,581 1,582 1,584 1,585 179.525,586 0.742,587 4.225,588 0.095,589 0.003,590 0.058,591 0.03,592 0.022,593 0.014,594 0.007,595 0.008,596 0.007,597 0.005,598 0.248,599 0.5,600 1,602 85.029,603 0.302,604 0.039,605 0.086,606 -0.05,607 0.385,608 -0.022,609 0.214,610 -0.012,611 -0.014,612 -0.127,613 0.175,614 -0.11,615 -0.084,616 0.022,617 -0.028,618 0.03,619 -0.011,620 0.013,621 -0.093,622 -0.049,623 -0.083,624 -0.057,625 -0.091,626 -0.066,627 -0.141,628 -0.028,629 -0.136,630 -0.069,631 -0.222,632 -0.097,633 -0.129,634 0.001,635 -0.044,636 0.025,637 -0.188,638 0.007,639 -0.221,640 -0.01,641 -0.131,642 -0.013,643 -0.278,644 -0.051,645 0.133,646 -0.002,647 0.069,648 -0.006,649 -0.038,650 0.017,651 0.795,652 1.177,653 0.737,654 13.645,655 1.001,656 1.145,657 2.715,658 7.37,659 0.653,660 3.091,661 3.332,662 3.584,663 3.807,664 3.784,665 3.761,666 3.761,667 3.784,668 3.611,669 3.664,670 5.816,671 0.622,672 256.35,673 3.091,674 4.575,675 5.398,676 6.236,677 7.074,678 7.92,679 8.764,680 9.613,681 10.461,682 11.314,683 17.1,691 2,693 4,698 1,699 5,700 4,701 1,704 2,706 15,724 35,726 15,728 21,730 37,731 13,733 8,739 3,740 4,751 5,753 8,754 5,769 1,772 16,773 4,774 1,775 6,778 1,779 6,784 0.667,795 1,801 2,802 1,805 1,832 2,840 19,846 5,869 8.833,870 6.167,871 4.306,872 2.265,874 2.661,875 1.415,876 0.993,877 3.729,878 9.07,879 3.384,880 3.961,881 4.57,882 5.154,883 5.406,884 5.63,885 5.895,886 6.168,887 5.655,888 5.777,889 0.833,890 22,891 6.96,893 2.845,894 7.553,895 13.591,897 10.956,899 2.053,900 39,901 0.001,904 176.567,905 65.996,906 84.479,911 65.996,912 176.567,913 84.479,915 12.673,916 28.429,917 101.018,918 26.997,919 4.901,920 153.024,922 176.567,923 150.475,927 176.567,931 50.616,932 33.33,933 66.53,935 176.567,936 84.479,937 65.996,940 176.567,941 19.901,942 47.381,943 16.663,944 66.53,945 176.567,946 84.479,947 65.996,949 0.556,950 0.325,951 0.182,952 0.078,953 13,954 4,955 0.162,956 6,957 1,958 1.143,959 3.43,960 129.865,961 0.143,962 14,963 80.711,968 12.154,969 5.829,970 2.923,971 1.158,972 66.53,973 10.097,974 15.185,975 2.782,978 2.188,980 16.663,981 327.042,982 28.5,994 35.029,995 40.066,996 0.289,997 0.686,998 0.831,999 0.922,1000 0.944,1001 0.944,1002 4.551,1003 0.84,1004 5.313,1005 2.234,1006 4.007,1007 4.644,1009 6.038,1010 3.93,1011 5.716,1012 0.618,1013 6.804,1014 1.928,1015 3.219,1016 4.227,1018 6.783,1019 3.046,1020 6.987,1021 0.484,1022 8.404,1023 1.372,1024 5.493,1025 6.865,1027 9.905,1028 5.317,1029 8.309,1030 -0.093,1031 10.077,1032 1.12,1033 5.707,1034 7.496,1036 11.626,1037 5.412,1038 9.674,1039 -0.581,1040 11.802,1041 -0.214,1042 7.286,1043 9.431,1045 14.203,1046 6.988,1047 11.068,1048 -1,1049 13.563,1050 -1.362,1051 7.972,1052 10.533,1054 16.289,1055 7.559,1056 12.486,1057 -1.062,1058 15.349,1059 -2.409,1060 9.266,1061 12.198,1063 18.701,1064 8.835,1065 3.045,1066 -1.476,1067 17.154,1068 -2.465,1069 10.177,1070 13.515,1072 20.928,1073 9.644,1074 2.542,1075 10.214,1076 18.973,1077 -3.179,1078 11.354,1079 15.073,1081 23.286,1082 10.787,1083 2.136,1084 6.997,1085 20.802,1086 4.457,1087 12.369,1088 16.487,1090 25.569,1091 11.715,1092 1.659,1093 6.251,1094 22.64,1095 3.479,1096 13.5,1097 18.003,1099 27.906,1100 12.8,1101 1.548,1102 3.717,1103 24.485,1104 2.877,1105 14.565,1106 19.46,1108 30.212,1109 13.787,1110 1.252,1111 3.416,1112 26.335,1113 2.321,1114 15.679,1115 20.961,1117 32.542,1118 14.848,1119 1,1120 2.689,1121 28.19,1122 1.849,1123 16.766,1124 22.437,1126 34.858,1127 15.865,1128 3822,1129 6395,1130 14.792,1131 22.841,1132 30.546,1133 30.198,1134 30.382,1135 30.253,1136 30.25,1137 41.228,1139 79.877,1140 29.138,1141 5.428,1142 5.117,1143 6.292,1144 5.035,1145 5.045,1146 7.457,1148 16.989,1149 4.847,1151 1.455,1152 1.438,1153 1.447,1154 1.441,1155 1.44,1156 1.963,1158 3.804,1159 1.388,1160 4.12,1161 4.17,1162 4.081,1163 3.977,1164 5.268,1165 3.996,1166 3.866,1167 3.955,1168 3.812,1169 3.644,1170 5.051,1171 3.656,1172 3.617,1173 3.695,1174 3.476,1175 3.403,1176 4.376,1177 3.423,1178 3.349,1179 3.415,1180 3.242,1181 3.186,1182 4.101,1183 3.195,1184 3.203,1185 3.283,1186 3.041,1187 3.014,1188 3.831,1189 3.018,1190 2.873,1191 2.957,1192 2.709,1193 2.688,1194 3.735,1195 2.685,1196 2.568,1197 2.68,1198 2.322,1199 2.339,1200 3.564,1201 2.32,1202 2.291,1203 2.431,1204 2.16,1205 2.019,1206 3.292,1207 2.021,1208 0.215,1209 0.148,1210 0.31,1211 0.19,1212 0.145,1213 4.509,1214 0.212,1215 3.117,1217 6.512,1218 0.486,1219 3.986,1220 0.136,1221 3.045,1222 4.457,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.072,1229 2.089,1230 1.374,1231 2.084,1232 1.728,1233 1.669,1234 1.941,1235 1.901,1236 1.165,1237 1.918,1238 1.461,1239 1.397,1240 1.682,1241 1.679,1242 0.92,1243 1.677,1244 1.306,1245 1.233,1246 1.471,1247 1.562,1248 0.564,1249 1.539,1250 1.062,1251 0.97,1252 1.322,1253 1.457,1254 0.361,1255 1.403,1256 1.009,1257 0.94,1258 1.221,1259 1.274,1260 0.3,1261 1.243,1262 0.894,1263 0.771,1264 1.109,1265 1.195,1266 0.148,1267 1.211,1268 0.657,1269 0.558,1270 0.924,1271 0.955,1273 0.984,1274 3.761,1276 5.017,1277 3.045,1278 6.457,1279 5.209,1280 7.993,1281 7.14,1282 9.586,1290 5.437,1300 21.762,1301 51.909,1302 123.186,1303 149.26,1304 165.525,1305 169.525,1306 169.525,1307 19.314,1308 6.409,1309 71.76,1310 71.76,1311 16,1312 11.871,1313 4,1314 3.087,1315 28.188,1316 67,1317 53,1318 0.203,1319 136.492,1320 213.84,1321 324.801,1322 5073,1324 12.916,1325 0.68,1326 0.561,1327 12.916,1328 10.658,1329 9.433,1330 0.449,1331 0.312,1332 6.461,1333 8.994,1334 6.369,1335 5.313,1336 9.433,1337 6.559,1338 7.834,1339 0.29,1340 0.171,1341 7.834,1342 4.614,1343 6.635,1344 0.19,1345 0.093,1346 6.635,1347 3.268,1348 5.575,1349 0.127,1350 0.052,1351 5.575,1352 2.27,1353 3.635,1354 0.085,1355 0.032,1356 3.635,1357 1.391,1358 0.328,1359 59.542,1360 0.26,1361 19.675,1362 0.524,1363 96,1364 274.558,1365 106.574,1366 270.554,1367 377.57,1368 254,1369 110,1370 295.727,1371 121.518,1372 295.43,1373 419.2,1374 277,1375 7.721} {0 CHEMBL544845,1 1.819,2 10.2,3 2.739,4 7.501,5 95.068,6 8.702,7 0.462,8 3.87,9 3.957,10 3.705,11 3.468,12 5.004,13 3.416,14 4.398,15 4.534,16 3.97,17 3.838,18 5.818,19 3.757,20 4.695,21 4.886,22 3.977,23 3.978,24 5.827,25 3.852,26 4.759,27 4.969,28 3.878,29 3.917,30 5.902,31 3.791,32 4.736,33 4.961,34 3.954,35 3.898,36 5.821,37 3.768,38 4.713,39 4.921,40 4.038,41 3.888,42 5.975,43 3.786,44 4.673,45 4.866,46 3.886,47 3.829,48 6.027,49 3.743,50 4.55,51 4.727,52 3.794,53 3.719,54 5.892,55 3.647,56 0.136,57 0.623,58 9.958,59 4.478,60 25.436,61 4.932,62 0.454,63 0.97,64 16.472,65 7.434,66 79.397,67 8.753,68 0.498,69 1.204,70 31.433,71 10.889,72 82.825,73 12.502,74 0.666,75 1.25,76 33.29,77 10.662,78 111.224,79 12.282,80 0.657,81 1.245,82 34.005,83 10.359,84 107.347,85 12,86 0.699,87 1.191,88 33.818,89 10.322,90 105.39,91 12.022,92 0.759,93 1.102,94 29.66,95 9.627,96 113.378,97 10.91,98 0.643,99 0.948,100 25.93,101 8.378,102 102.616,103 9.436,104 30,105 35,106 0.316,107 0.656,108 0.808,109 0.878,110 0.878,111 0.878,112 3.266,113 1.109,114 -3.06,115 -3.06,116 -2.95,118 38.6,120 3,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 8,169 1,171 1,172 3,175 3,177 2,180 9,181 1,186 7,191 5,194 8,195 1,198 8,203 5,206 3,207 1,210 6,213 1,215 3,218 4,219 1,222 8,227 2,228 1,229 7,230 1,233 2,234 5,235 1,237 1,238 1,239 1,242 8,243 1,246 1,247 3,248 2,250 1,252 1,255 9,258 2,259 2,262 2,267 6,268 2,270 1018,271 16.283,272 16.283,273 16.283,274 16.283,275 16.283,276 14.311,277 12.219,278 9.809,279 16.652,280 12.816,281 12.816,282 12.816,283 12.816,284 12.816,285 9.875,286 6.485,287 4.664,288 13.479,289 3.641,290 1.683,291 0.807,292 0.409,293 0.409,294 0.409,295 3.926,297 1,298 1,299 1,300 1,301 519,302 4.301,306 197.137,313 1.424,314 40.217,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 55.333,326 255,327 4.845,328 4.684,329 7.293,330 4.294,331 3.377,332 4.697,333 2.341,334 12.408,335 3.07,336 4.069,337 3.596,338 6.134,339 3.82,340 2.827,341 3.548,343 9.021,344 2.805,345 3.834,346 3.065,347 5.149,348 3.31,349 2.399,350 3.393,352 6.32,353 2.211,354 3.549,355 2.898,356 4.744,357 3.23,358 2.225,359 2.712,361 5.203,362 2.155,363 3.208,364 1.992,365 4.667,366 2.866,367 1.895,368 2.392,370 4.853,371 1.834,372 3.072,373 1.806,374 4.459,375 2.556,376 1.618,377 2.277,379 4.506,380 1.447,381 2.605,382 1.443,383 3.531,384 2.253,385 1.271,386 1.625,388 2.796,389 1.244,390 2.5,391 1.25,392 3.417,393 2.003,394 1.026,395 1.5,397 2.275,398 1,399 2.5,400 1,401 3.414,402 2,403 1,404 1.5,406 2.266,407 0.995,408 2.164,409 1,410 3.247,411 1.955,412 1,413 1.116,415 2.136,416 0.952,417 1.539,418 0.843,419 3.052,420 1.345,421 0.383,422 0.421,424 0.9,425 0.365,426 1.119,427 0.574,428 2.662,429 0.648,430 -0.219,431 -0.271,433 -0.483,434 -0.145,435 1,436 0.388,437 2.31,438 0.581,439 -0.364,440 -0.402,442 -0.841,443 -0.354,444 0.859,445 -0.054,446 2.229,447 0.18,448 -0.793,449 -1.012,451 -1.821,452 -0.763,453 0.587,454 -0.188,455 2,457 -1,458 -1.212,460 -2,461 -0.887,462 12.181,463 0.487,464 0.704,465 0.028,466 31.5,467 1.26,468 16.5,469 0.66,470 15,471 0.6,472 20.354,473 0.814,474 28.019,475 0.637,476 23.871,477 0.955,478 6.01,479 0.24,480 5.872,481 0.235,482 0.168,483 0.068,484 0.205,487 0.597,488 1.297,489 0.721,490 1.168,491 0.69,492 0.937,493 0.493,494 1.138,495 0.789,496 1.008,497 0.459,498 1.047,499 0.914,500 1.15,501 1.094,502 1.143,503 0.865,504 1.08,505 1.142,506 1.09,507 1.055,508 1.032,509 1.133,510 1.064,511 1.013,512 0.923,513 0.78,514 0.849,515 1.05,516 0.92,517 0.848,518 1.026,519 0.901,520 1.081,521 0.905,522 0.946,523 1.16,524 0.877,525 0.931,526 0.911,527 1.289,528 0.921,529 1.246,530 0.978,531 0.957,532 1.011,533 1.407,534 1.035,535 6,536 0.12,537 3.333,538 1.438,539 0.773,540 0.951,541 0.671,542 0.372,543 0.275,544 0.179,545 6582,546 25307,547 1.941,548 43.2,549 4,550 8,552 2,553 2,554 2,555 1,558 1.684,559 1.796,560 3.315,561 0.352,562 1,563 1,567 80.018,568 1.819,569 3.777,570 4.652,571 5.05,572 5.05,573 5.05,574 2.71,575 3.924,576 4.614,577 3.475,578 1042.58,579 8.003,580 13077,582 1,584 1,585 240.215,586 1.583,587 4.551,588 0.231,589 0.009,590 0.095,591 0.042,592 0.026,593 0.032,594 0.02,595 0.012,596 0.01,597 0.008,598 0.484,599 0.33,600 1,601 1.393,602 121.297,603 0.022,604 -0.078,605 0.13,606 -0.039,607 -0.111,608 0.036,609 0.247,610 -0.015,611 0.002,612 -0.025,613 0.271,614 -0.097,615 -0.102,616 -0.139,617 -0.097,618 -0.085,619 -0.048,620 -0.069,621 -0.192,622 -0.097,623 -0.127,624 -0.055,625 -0.147,626 -0.093,627 -0.122,628 0.095,629 0.073,630 0.11,631 -0.138,632 0.048,633 0.07,634 -0.028,635 0.086,636 -0.052,637 0.04,638 0.048,639 -0.049,640 0.097,641 -0.051,642 0.048,643 -0.082,644 0.029,645 -0.109,646 -0.036,647 -0.087,648 -0.087,649 -0.195,650 -0.09,651 4.584,652 5.397,653 0.48,654 22.406,655 1.02,656 1.124,657 1.832,658 3.355,659 0.686,660 3.296,661 3.584,662 3.714,663 3.829,664 4.007,665 4.025,666 3.97,667 3.871,668 3.932,669 3.892,670 6.196,671 0.651,672 382.9,673 3.296,674 4.812,675 5.609,676 6.457,677 7.279,678 8.132,679 8.964,680 9.821,681 10.659,682 11.519,683 4.5,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 44,726 15,727 1,728 26,730 45,731 17,733 11,734 2,735 4,739 2,740 2,741 1,751 3,753 12,754 5,755 1,756 3,760 1,761 3,765 1,768 1,769 1,772 19,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 25,844 1,845 1,846 4,847 1,850 1,861 1,862 9.1,864 1,865 3,869 13.917,870 7.46,871 5.569,872 2.511,874 1.814,875 1.284,876 0.928,877 7.088,878 8.201,879 3.584,880 4.143,881 4.511,882 4.916,883 5.375,884 5.402,885 5.441,886 5.266,887 5.527,888 5.804,889 0.857,890 34,891 9.485,893 4.223,894 8.201,895 17.177,897 13.92,899 2.701,900 67.528,903 1,904 200.109,905 99.616,906 33.191,907 39.149,908 112.141,910 5.807,911 93.808,912 351.399,913 33.191,915 9.709,916 79.07,917 153.379,918 26.332,920 176.567,921 39.149,922 200.109,923 126.999,924 112.141,925 44.956,927 188.338,928 123.912,931 44.209,932 66.004,933 61.742,935 200.109,936 145.332,937 138.764,939 5.807,940 200.109,941 18.856,942 74.952,943 16.405,944 168.075,945 200.109,946 145.332,947 138.764,949 0.577,950 0.305,951 0.144,952 0.081,953 14,954 7,955 0.2,956 9,958 1,959 3.648,960 188.554,962 12,963 110.096,967 1,968 19.544,969 9.067,970 6.22,972 145.332,973 12.839,974 4.053,978 1.458,980 59.088,981 484.205,982 35,986 -3.667,987 35.507,991 -0.869,994 44.865,995 49.435,996 0.333,997 0.692,998 0.852,999 0.925,1000 0.925,1001 0.925,1002 4.796,1003 1.026,1004 5.617,1005 2.796,1006 4.263,1007 4.828,1008 2.258,1009 6.409,1010 4.164,1011 6.015,1012 1,1013 7.18,1014 2.275,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.783,1020 7.348,1021 1,1022 8.869,1023 2.266,1024 5.894,1025 7.081,1026 3.628,1027 10.609,1028 5.677,1029 8.727,1030 0.383,1031 10.64,1032 2.136,1033 6.463,1034 7.971,1035 4.112,1036 12.714,1037 6.102,1038 10.147,1039 -0.219,1040 12.468,1041 0.9,1042 7.889,1043 9.738,1044 5.201,1045 15.329,1046 7.518,1047 11.597,1048 -0.364,1049 14.336,1050 -0.483,1051 8.817,1052 10.99,1053 5.889,1054 17.711,1055 8.305,1056 13.072,1057 -0.793,1058 16.234,1059 -0.841,1060 10.085,1061 12.61,1062 6.849,1063 20.244,1064 9.531,1065 3.377,1066 -1,1067 18.152,1068 -1.821,1069 11.17,1070 14.022,1071 7.625,1072 22.713,1073 10.488,1074 2.827,1075 12.408,1076 20.087,1077 -2,1078 12.386,1079 15.591,1080 8.526,1081 25.23,1082 11.636,1083 2.399,1084 9.021,1085 22.032,1086 4.697,1087 13.539,1088 17.076,1089 9.342,1090 27.729,1091 12.672,1092 2.225,1093 6.32,1094 23.987,1095 3.548,1096 14.743,1097 18.627,1098 10.216,1099 30.243,1100 13.791,1101 1.895,1102 5.203,1103 25.948,1104 3.393,1105 15.926,1106 20.145,1107 11.051,1108 32.753,1109 14.863,1110 1.618,1111 4.853,1112 27.914,1113 2.712,1114 17.13,1115 21.691,1116 11.912,1117 35.268,1118 15.972,1119 1.271,1120 4.506,1121 29.885,1122 2.392,1123 18.328,1124 23.224,1125 12.755,1126 37.783,1127 17.062,1128 6706,1129 13289,1130 16.583,1131 30.188,1132 38.158,1133 39.546,1134 38.983,1135 38.282,1136 38.043,1137 50.36,1138 4.682,1139 105.363,1140 36.156,1141 5.784,1142 6.684,1143 7.095,1144 5.345,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.07,1150 14.324,1151 1.468,1152 1.521,1153 1.499,1154 1.472,1155 1.463,1156 1.937,1157 0.18,1158 4.052,1159 1.391,1160 4.08,1161 4.065,1162 4.736,1163 4.066,1164 7.717,1165 3.979,1166 3.91,1167 3.942,1168 3.925,1169 3.826,1170 7.474,1171 3.822,1172 3.682,1173 3.726,1174 3.848,1175 3.578,1176 6.999,1177 3.536,1178 3.64,1179 3.641,1180 3.566,1181 3.516,1182 6.351,1183 3.483,1184 3.377,1185 3.394,1186 3.301,1187 3.2,1188 4.93,1189 3.199,1190 3.035,1191 3.08,1192 3.156,1193 2.767,1194 4.892,1195 2.784,1196 2.854,1197 2.925,1198 2.869,1199 2.735,1200 4.27,1201 2.715,1202 2.798,1203 2.872,1204 2.687,1205 2.657,1206 4.155,1207 2.643,1208 0.186,1209 0.18,1210 0.281,1211 0.165,1212 0.13,1213 4.845,1214 0.181,1215 4.684,1216 0.09,1217 7.293,1218 0.477,1219 4.294,1220 0.118,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.07,1226 1.962,1227 1.969,1228 2.052,1229 2.051,1230 1.386,1231 2.081,1232 1.892,1233 1.858,1234 1.951,1235 1.982,1236 1.158,1237 2.006,1238 1.656,1239 1.608,1240 1.86,1241 1.836,1242 1.037,1243 1.844,1244 1.502,1245 1.506,1246 1.638,1247 1.695,1248 0.806,1249 1.714,1250 1.283,1251 1.27,1252 1.326,1253 1.484,1254 0.579,1255 1.496,1256 0.944,1257 0.897,1258 1.181,1259 1.24,1260 0.386,1261 1.245,1262 0.886,1263 0.821,1264 1.112,1265 1.062,1266 0.218,1267 1.107,1268 0.802,1269 0.735,1270 1.007,1271 1.007,1272 0.181,1273 1.04,1274 3.97,1276 5.263,1278 6.739,1280 8.296,1282 9.896,1285 5.782,1289 8.793,1290 1.204,1291 2.585,1294 -0.157,1300 28.658,1301 80.018,1302 166.176,1303 204.705,1304 222.215,1305 222.215,1306 222.215,1307 78.198,1308 6.387,1309 96.36,1310 104.74,1311 12,1312 12.075,1313 4,1314 3.322,1315 51.406,1316 90,1317 94,1318 0.271,1319 187.599,1320 328.54,1321 449.502,1322 4088,1323 2.3,1324 18.286,1325 0.731,1326 0.6,1327 19.036,1328 15.002,1329 11.882,1330 0.457,1331 0.37,1332 7.819,1333 10.388,1334 7.516,1335 6.221,1336 12.992,1337 9.613,1338 10.967,1339 0.313,1340 0.222,1341 12.699,1342 7.778,1343 7.953,1344 0.199,1345 0.136,1346 9.333,1347 5.434,1348 5.813,1349 0.129,1350 0.08,1351 6.834,1352 3.619,1353 4.503,1354 0.083,1355 0.051,1356 5.579,1357 2.734,1358 0.423,1359 85.759,1360 0.246,1361 24.397,1362 0.747,1363 122,1364 430.398,1365 185.911,1366 461.925,1367 589.19,1368 420,1369 136,1370 356.182,1371 199.141,1372 405.092,1373 577.16,1374 378,1375 5.699} {0 CHEMBL544900,1 1.658,2 8.588,3 1.16,4 1.345,5 61.22,6 8.009,7 0.611,8 3.488,9 3.584,10 3.1,11 2.96,12 4.728,13 2.982,14 3.955,15 4.1,16 3.38,17 3.278,18 5.276,19 3.281,20 4.106,21 4.27,22 3.218,23 3.318,24 5.327,25 3.249,26 4.074,27 4.316,28 3.049,29 3.248,30 5.006,31 3.148,32 3.947,33 4.17,34 3.097,35 3.177,36 5.074,37 3.107,38 3.91,39 4.115,40 2.926,41 2.99,42 5.155,43 2.931,44 3.589,45 3.818,46 2.515,47 2.562,48 4.717,49 2.505,50 3.228,51 3.466,52 2.354,53 2.172,54 4.29,55 2.178,56 0.086,57 0.411,58 5.241,59 2.477,60 9.662,61 2.907,62 0.311,63 0.617,64 9.857,65 3.682,66 35.194,67 4.478,68 0.469,69 0.642,70 12.606,71 4.754,72 48.037,73 5.887,74 0.271,75 0.632,76 13.433,77 4.708,78 24.835,79 6.584,80 0.174,81 0.568,82 11.147,83 4.286,84 15.87,85 5.914,86 0.323,87 0.495,88 11.338,89 3.711,90 32.529,91 4.777,92 0.221,93 0.342,94 8.621,95 2.558,96 30.833,97 3.414,98 0.193,99 0.229,100 6.237,101 1.607,102 16.388,103 2.227,104 8,105 23,106 0.32,107 0.699,108 0.83,109 0.856,110 0.856,111 0.856,112 2.905,113 0.855,114 -2.28,115 -2.31,116 -2.28,118 41.4,124 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 3,173 1,175 1,180 4,185 1,186 4,189 1,194 2,198 4,207 2,210 4,215 2,219 2,221 1,222 4,227 2,230 1,234 1,239 1,246 1,248 1,258 1,262 1,270 295,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.878,277 14.291,278 7.063,279 11.732,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 6.656,286 19.449,287 3.424,288 9.402,289 3.2,290 1.229,291 0.552,292 0.414,293 0.414,294 0.414,295 3.561,299 1,300 1,301 303,302 2.739,305 51.956,306 57.97,313 1.73,314 16.556,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 38,326 146,327 4.094,328 3.627,329 5.62,330 3.695,331 2.734,332 3.683,333 2.423,334 7.798,335 2.636,336 3.878,337 2.964,338 5.344,339 3.425,340 2.5,341 3.437,342 0.922,343 6.982,344 2.304,345 3.563,346 2.75,347 4.971,348 3.188,349 2.213,350 2.792,351 0.522,352 5.918,353 2.134,354 3.381,355 2.277,356 4.6,357 2.971,358 2,359 2.62,361 5.019,362 1.922,363 2.589,364 1.479,365 3.434,366 2.096,367 1.175,368 1.624,370 2.579,371 1.08,372 2.5,373 1.217,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.118,382 1,383 3,384 1.554,385 0.645,386 0.927,388 1.431,389 0.577,390 1.865,391 0.618,392 3,393 1.54,394 0.618,395 0.741,397 1.372,398 0.566,399 1.24,400 0.561,401 2.601,402 0.914,403 -0.039,404 -0.048,406 -0.096,407 -0.037,408 0.651,409 0.278,410 2,411 0.275,412 -0.667,413 -0.797,415 -1.706,416 -0.611,417 0.5,418 -0.266,419 1.912,421 -1,422 -1.263,424 -2,425 -0.953,426 0.441,427 -0.748,428 1.483,429 -0.001,430 -1,431 -1.5,433 -3,434 -1,435 -0.004,436 -1,437 1,438 -0.248,439 -1.184,440 -1.549,442 -3.041,443 -1.149,444 -0.118,445 -1.119,446 1,447 -0.583,448 -1.537,449 -1.886,451 -3.512,452 -1.447,453 -0.143,454 -1.486,455 1,456 -0.706,457 -1.618,458 -2.249,459 -0.459,460 -4.372,461 -1.493,462 7.8,463 0.459,464 0.349,465 0.021,466 23.25,467 1.368,468 12,469 0.706,470 11.25,471 0.662,472 9.089,473 0.535,474 18.6,475 0.641,476 14.551,477 0.856,478 5.009,479 0.295,480 3.229,481 0.19,482 0.085,484 0.244,487 0.865,488 1.448,489 0.733,490 1.164,491 0.741,492 0.96,493 0.907,494 0.98,495 0.942,496 0.955,497 0.5,498 0.937,499 0.931,500 1.08,501 1.229,502 1.155,503 0.959,504 1.258,505 0.666,506 0.921,507 0.914,508 0.947,509 0.416,510 0.981,511 0.531,512 1.072,513 0.75,514 1.086,515 0.509,516 0.992,517 1.156,518 0.983,519 1.125,520 1.039,521 1.282,522 1.076,523 1.244,524 1.043,525 1.089,526 1.044,527 1.389,528 1.031,529 1.186,530 0.72,531 0.774,532 0.677,533 0.748,534 0.622,535 3.5,536 0.046,537 1.111,538 0.472,539 0.577,540 0.313,541 0.231,542 0.164,543 0.031,544 0.065,545 2577,546 9152,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.56,559 1.925,560 3.113,561 -0.198,563 1,565 1,567 48.087,568 1.658,569 3.629,570 4.306,571 4.444,572 4.444,573 4.444,574 2.514,575 3.499,576 4.054,577 3.276,578 445.472,579 6.815,580 4191.13,582 1,585 140.881,586 1.261,587 4.03,588 0.194,589 0.008,590 0.048,591 0.026,592 0.036,593 0.018,594 0.018,595 0.021,596 0.004,597 0.011,598 0.385,599 0.5,600 1,601 1.325,602 72.396,603 -0.102,604 -0.294,605 0.026,606 -0.117,607 -0.098,608 -0.036,609 0.002,610 0.142,611 -0.085,612 0.014,613 0.159,614 -0.034,615 0.054,616 -0.111,617 -0.314,618 -0.152,619 -0.059,620 -0.3,621 -0.023,622 0.023,623 0.043,624 0.045,625 0.031,626 0.062,627 0.07,628 -0.114,629 0.174,630 -0.067,631 0.122,632 0.057,633 -0.114,634 -0.071,635 -0.125,636 -0.081,637 -0.142,638 -0.106,639 -0.17,640 -0.172,641 -0.036,642 -0.116,643 -0.192,644 -0.053,645 0.024,646 0.158,647 0.343,648 0.206,649 0.055,650 0.334,651 2.646,652 3.316,653 0.647,654 14.138,655 1.021,656 1.128,657 1.047,658 1.096,659 0.661,660 2.944,661 3.178,662 3.296,663 3.466,664 3.555,665 3.497,666 3.555,667 3.611,668 3.497,669 3.367,670 5.307,671 0.649,672 232.26,673 2.944,674 4.419,675 5.198,676 6.019,677 6.819,678 7.642,679 8.451,680 9.275,681 10.09,682 10.914,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 29,726 12,727 1,728 18,730 30,731 12,733 9,734 2,735 4,739 2,740 2,753 10,754 2,756 1,761 1,765 1,769 1,772 12,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,840 17,845 1,846 2,848 1,862 10.3,864 1,865 1,867 1,869 8.833,870 5.017,871 3.833,872 1.5,874 2.007,875 1.342,876 0.918,877 3.778,878 7.87,879 3.239,880 3.755,881 4.169,882 4.658,883 4.973,884 5.051,885 5.38,886 5.725,887 5.908,888 6.019,889 0.833,890 18,891 6.213,893 2.524,894 8.059,895 11.512,897 8.809,899 2.559,900 43.5,901 0.001,904 129.482,905 80.655,906 18.685,908 78.828,911 80.655,912 208.31,913 18.685,915 6.698,916 46.952,917 117.684,918 30.375,919 11.771,920 94.169,922 129.482,923 99.34,924 78.828,927 129.482,928 78.828,931 26.263,932 56.291,933 16.786,935 129.482,936 97.513,937 80.655,940 129.482,941 16.037,942 66.518,944 95.614,945 129.482,946 97.513,947 80.655,949 0.562,950 0.29,951 0.147,952 0.078,953 10,954 4,955 0.167,956 5,958 1,959 3.093,960 105.997,962 11,963 65.487,968 11.674,969 5.501,970 3.606,972 95.614,973 12.673,974 3.958,978 1.66,979 1.952,980 42.683,981 307.65,982 24.5,987 10.316,991 -0.979,994 29.604,995 32.701,996 0.341,997 0.747,998 0.886,999 0.915,1000 0.915,1001 0.915,1002 4.404,1003 0.618,1004 5.13,1005 1.431,1006 3.85,1007 4.437,1008 2.546,1009 5.784,1010 3.75,1011 5.569,1012 -0.039,1013 6.586,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.088,1020 6.824,1021 -0.667,1022 8.129,1023 -0.096,1024 5.293,1025 6.491,1026 3.839,1027 9.304,1028 5.095,1029 8.11,1030 -1,1031 9.722,1032 -1.706,1033 5.442,1034 6.827,1035 4.238,1036 10.632,1037 5.2,1038 9.42,1039 -1,1040 11.344,1041 -2,1042 6.956,1043 8.767,1044 5.437,1045 13.068,1046 6.666,1047 10.747,1048 -1.184,1049 12.987,1050 -3,1051 7.476,1052 9.485,1053 6.111,1054 14.74,1055 7.135,1056 12.085,1057 -1.537,1058 14.643,1059 -3.041,1060 8.732,1061 11.157,1062 7.138,1063 16.959,1064 8.356,1065 2.734,1066 -1.618,1067 16.309,1068 -3.512,1069 9.453,1070 12.089,1071 7.928,1072 18.804,1073 9.025,1074 2.5,1075 7.798,1076 17.982,1077 -4.372,1078 10.58,1079 13.614,1080 8.878,1081 20.925,1082 10.122,1083 2.213,1084 6.982,1085 19.66,1086 3.683,1087 11.415,1088 14.675,1089 9.719,1090 22.861,1091 10.906,1092 2,1093 5.918,1094 21.344,1095 3.437,1096 12.474,1097 16.114,1098 10.635,1099 24.937,1100 11.938,1101 1.175,1102 5.019,1103 23.031,1104 2.792,1105 13.376,1106 17.255,1107 11.499,1108 26.922,1109 12.794,1110 1,1111 2.579,1112 24.721,1113 2.62,1114 14.401,1115 18.642,1116 12.399,1117 28.977,1118 13.791,1119 0.645,1120 2.275,1121 26.414,1122 1.624,1123 15.341,1124 19.835,1125 13.274,1126 30.989,1127 14.689,1128 2615,1129 5006,1130 12.019,1131 19.182,1132 26.199,1133 26.249,1134 25.969,1135 25.739,1136 25.768,1137 34.646,1138 7.733,1139 66.746,1140 24.438,1141 4.91,1142 5.627,1143 5.235,1144 4.747,1145 4.734,1146 6.683,1147 4.104,1148 13.342,1149 4.636,1150 7.252,1151 1.455,1152 1.458,1153 1.443,1154 1.43,1155 1.432,1156 1.925,1157 0.43,1158 3.708,1159 1.358,1160 3.993,1161 4.041,1162 3.933,1163 3.879,1164 7.474,1165 3.884,1166 3.809,1167 3.85,1168 3.751,1169 3.631,1170 6.351,1171 3.658,1172 3.527,1173 3.531,1174 3.456,1175 3.256,1176 4.966,1177 3.3,1178 3.083,1179 3.134,1180 2.98,1181 2.916,1182 4.816,1183 2.919,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 4.276,1189 2.715,1190 2.695,1191 2.733,1192 2.535,1193 2.37,1194 3.674,1195 2.385,1196 2.484,1197 2.578,1198 2.272,1199 2.237,1200 3.671,1201 2.246,1202 2.386,1203 2.48,1204 2.194,1205 2.076,1206 3.343,1207 2.101,1208 0.227,1209 0.202,1210 0.312,1211 0.205,1212 0.152,1213 4.094,1214 0.205,1215 3.627,1216 0.135,1217 5.62,1218 0.433,1219 3.695,1220 0.146,1221 2.734,1222 3.683,1223 2.423,1224 7.798,1225 2.636,1226 1.914,1227 1.889,1228 2.027,1229 2.022,1230 1.178,1231 2.024,1232 1.516,1233 1.462,1234 1.679,1235 1.766,1236 0.81,1237 1.737,1238 1.369,1239 1.346,1240 1.565,1241 1.645,1242 0.682,1243 1.615,1244 1.288,1245 1.22,1246 1.465,1247 1.525,1248 0.433,1249 1.512,1250 0.89,1251 0.844,1252 1.181,1253 1.124,1254 0.218,1255 1.12,1256 0.886,1257 0.821,1258 1.143,1259 1.062,1260 0.206,1261 1.107,1262 0.464,1263 0.412,1264 0.812,1265 0.931,1267 0.911,1268 0.309,1269 0.209,1270 0.739,1271 0.619,1273 0.669,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.757,1281 6.26,1282 9.285,1289 8.465,1290 0.417,1292 5.039,1300 18.821,1301 48.087,1302 105.23,1303 124.881,1304 128.881,1305 128.881,1306 128.881,1307 21.766,1308 5.864,1309 64.35,1310 64.35,1311 11,1312 11.494,1313 3.7,1314 2.907,1315 28.723,1316 55,1317 45,1318 0.267,1319 119.105,1320 202.17,1321 282.375,1322 2190,1324 12.088,1325 0.711,1326 0.536,1327 12.088,1328 9.114,1329 8.237,1330 0.458,1331 0.285,1332 5.024,1333 7.788,1334 4.932,1335 4.1,1336 8.237,1337 5.131,1338 7.244,1339 0.315,1340 0.155,1341 7.244,1342 3.561,1343 5.26,1344 0.202,1345 0.085,1346 5.26,1347 2.21,1348 4.042,1349 0.13,1350 0.046,1351 4.042,1352 1.427,1353 2.978,1354 0.088,1355 0.026,1356 2.978,1357 0.874,1358 0.425,1359 52.598,1360 0.288,1361 17.695,1362 0.711,1363 82,1364 304.911,1365 93.496,1366 286.44,1367 373.9,1368 266,1369 90,1370 258.051,1371 100.724,1372 259.601,1373 368.04,1374 241,1375 7.398} {0 CHEMBL544901,1 1.562,2 9,3 1.093,4 1.194,5 59.419,6 6.656,7 0.313,8 3.593,9 3.721,10 3.015,11 2.992,12 4.705,13 2.972,14 4.133,15 4.334,16 3.26,17 3.347,18 5.271,19 3.273,20 4.416,21 4.68,22 3.129,23 3.41,24 5.542,25 3.26,26 4.385,27 4.671,28 2.906,29 3.321,30 5.268,31 3.153,32 4.248,33 4.54,34 2.809,35 3.193,36 5.104,37 3.027,38 4.107,39 4.389,40 2.722,41 3.05,42 5.021,43 2.904,44 3.96,45 4.232,46 2.629,47 2.891,48 4.936,49 2.767,50 3.788,51 4.047,52 2.541,53 2.7,54 4.864,55 2.601,56 0.063,57 0.455,58 8.08,59 2.964,60 13.848,61 4.262,62 0.26,63 0.672,64 14.46,65 4.692,66 44.256,67 7.038,68 0.48,69 0.703,70 19.796,71 5.858,72 84.61,73 9.065,74 0.369,75 0.647,76 19.256,77 5.405,78 59.498,79 8.508,80 0.296,81 0.57,82 16.679,83 4.699,84 46.968,85 7.475,86 0.272,87 0.494,88 14.537,89 3.943,90 43.164,91 6.291,92 0.253,93 0.421,94 12.616,95 3.237,96 39.941,97 5.201,98 0.27,99 0.348,100 10.747,101 2.558,102 36.409,103 4.151,104 18,105 19,106 0.299,107 0.599,108 0.748,109 0.852,110 0.905,111 0.905,112 2.847,113 1.043,114 -1.99,115 -2.04,116 -2.03,118 32.4,120 5,124 1,126 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 1,175 1,177 1,178 1,180 3,181 1,186 2,189 1,190 1,191 2,194 2,195 1,198 3,203 2,206 1,207 1,210 3,215 2,219 1,222 3,227 2,230 1,234 2,239 1,247 1,248 1,250 1,258 1,262 1,270 274,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.784,277 8.63,278 6.731,279 10.811,280 7.891,281 7.891,282 7.891,283 7.891,284 7.891,285 6.721,286 5.609,287 3.218,288 8.257,289 3.526,290 1.955,291 1.176,292 0.633,293 0.353,294 0.353,295 3.474,299 1,300 1,301 284,302 3.536,305 53.736,313 1.5,314 19.499,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 36,326 144,327 3.92,328 3.752,329 5.736,330 3.619,331 2.644,332 3.479,333 2.413,334 7.414,335 2.555,336 3.832,337 2.646,338 5.352,339 3.458,340 2.542,341 2.989,342 0.288,343 6.997,344 2.328,345 2.863,346 2.228,347 3.893,348 2.779,349 1.784,350 1.888,352 3.651,353 1.772,354 2.677,355 1.741,356 3.641,357 2.39,358 1.414,359 1.694,361 3.01,362 1.371,363 2.423,364 1.376,365 3.361,366 2.108,367 1.155,368 1.368,370 2.488,371 1.089,372 2.118,373 0.96,374 3,375 1.743,376 0.783,377 0.927,379 1.641,380 0.743,381 1.932,382 0.618,383 2.912,384 1.554,385 0.618,386 0.864,388 1.372,389 0.577,390 1.243,391 0.466,392 2.376,393 1.121,394 0.159,395 0.168,397 0.334,398 0.151,399 0.547,400 0.274,401 1.88,402 0.415,403 -0.538,404 -0.565,406 -1.185,407 -0.508,408 0.43,409 -0.374,410 1.41,411 -0.003,412 -1,413 -1.167,415 -2,416 -0.956,417 0.037,418 -0.66,419 1.206,420 -0.173,421 -1.11,422 -1.282,424 -2.494,425 -1.036,426 -0.118,427 -1.033,428 1,429 -0.486,430 -1.414,431 -1.577,433 -3.122,434 -1.339,435 -0.266,436 -1.488,437 1,438 -0.624,439 -1.594,440 -1.802,442 -3.658,443 -1.474,444 -0.461,445 -1.618,446 0.677,447 -0.705,448 -1.618,449 -1.972,451 -4.372,452 -1.558,453 -0.734,454 -1.765,455 0.385,456 -0.869,457 -1.841,458 -2.427,459 -1.052,460 -4.747,461 -1.774,462 7.3,463 0.456,464 0.302,465 0.019,466 15.5,467 0.969,468 5.5,469 0.344,470 10,471 0.625,472 12.739,473 0.796,474 19.7,475 0.579,476 8.988,477 0.562,478 2.912,479 0.182,480 4.787,481 0.299,482 0.137,484 0.192,487 0.9,488 1.692,489 0.945,490 1.397,491 0.812,492 1.21,493 0.659,494 1.293,495 1.027,496 1.3,497 0.513,498 1.237,499 0.663,500 1.012,501 0.954,502 1.083,503 0.644,504 1.085,505 0.953,506 0.888,507 1.006,508 0.935,509 0.958,510 0.981,511 0.839,512 0.9,513 0.933,514 0.933,515 0.825,516 0.952,517 0.97,518 0.918,519 0.983,520 0.932,521 0.959,522 0.956,523 1.131,524 0.923,525 1.032,526 0.912,527 1.125,528 0.942,529 1.249,530 0.93,531 1.083,532 0.891,533 1.336,534 0.946,535 2.5,536 0.066,537 1.333,538 0.472,539 0.285,540 0.191,541 0.137,542 0.072,543 0.081,544 0.095,545 2225,546 7311,547 1.895,548 52.9,549 6,550 3,551 1,552 2,553 2,555 4,558 1.536,559 1.778,560 3.181,561 0.512,563 1,565 1,567 53.106,568 1.562,569 3.132,570 3.912,571 4.455,572 4.735,573 4.735,574 2.5,575 3.125,576 3.976,577 3.356,578 402.691,579 6.623,580 3874.3,582 1,585 172.974,586 1.329,587 3.929,588 0.156,589 0.008,590 0.07,591 0.031,592 0.024,593 0.017,594 0.014,595 0.008,596 0.01,597 0.012,598 0.351,599 0.5,600 1,601 2.703,602 68.41,603 -0.108,604 -0.283,605 -0.01,606 -0.077,607 -0.076,608 -0.035,609 0.094,610 -0.056,611 -0.095,612 -0.162,613 0.15,614 -0.166,615 0.164,616 -0.06,617 -0.02,618 -0.081,619 0.19,620 -0.087,621 -0.106,622 0.001,623 -0.067,624 0.013,625 -0.103,626 -0.015,627 -0.063,628 -0.005,629 -0.004,630 0.014,631 -0.064,632 0.019,633 -0.104,634 -0.013,635 -0.035,636 0.006,637 -0.103,638 0.003,639 -0.152,640 -0.016,641 -0.06,642 0.006,643 -0.15,644 -0.002,645 -0.105,646 -0.019,647 -0.076,648 -0.001,649 -0.192,650 -0.033,651 2.793,652 3.314,653 0.313,654 12.125,655 1.007,656 1.145,657 0.757,658 0.573,659 0.602,660 2.833,661 2.996,662 3.045,663 2.996,664 2.773,665 2.708,666 2.639,667 2.565,668 2.565,669 2.565,670 5.729,671 0.571,672 226.31,673 2.833,674 4.263,675 5.004,676 5.771,677 6.529,678 7.298,679 8.061,680 8.829,681 9.594,682 10.363,683 5.9,691 1,693 1,699 3,700 1,705 1,706 5,724 34,726 6,728 16,730 34,731 11,733 3,739 1,740 1,751 6,753 4,754 7,756 1,761 1,765 1,769 1,772 18,773 4,774 2,775 5,778 1,779 2,784 1,785 3,787 1,801 1,818 1,830 2,832 1,840 16,845 2,846 6,850 1,862 8.8,863 1,864 1,865 1,869 9,870 5.55,871 3.778,872 2.136,874 0.851,875 1.162,876 0.829,877 5.934,878 6.104,879 3.02,880 3.376,881 3.647,882 3.903,883 3.508,884 3.477,885 3.446,886 3.414,887 3.446,888 3.58,889 0.833,890 15,891 5.923,893 2.378,894 8.125,895 11.14,897 8.568,899 2.625,900 42,901 0.002,904 188.338,905 42.402,906 18.685,908 110.512,911 42.402,912 298.849,913 18.685,915 14.778,916 51.731,917 117.684,918 10.947,919 11.771,920 153.024,922 188.338,923 61.086,924 110.512,927 141.253,928 114.913,929 42.683,931 34.343,932 9.957,933 16.786,935 188.338,936 129.196,937 42.402,940 188.338,941 15.688,942 28.613,944 127.297,945 188.338,946 129.196,947 42.402,949 0.55,950 0.293,951 0.122,952 0.047,953 6,954 3,955 0.235,956 8,958 1,959 3,960 85.831,962 5,963 64,968 13.041,969 7.281,970 5.598,972 127.297,973 5.464,974 3.944,979 2.02,980 85.367,981 359.936,982 19.5,987 10.314,991 -1.126,994 34.254,995 38.946,996 0.307,997 0.616,998 0.769,999 0.876,1000 0.931,1001 0.931,1002 4.163,1003 0.159,1004 4.905,1005 1.372,1006 3.664,1007 4.052,1008 2.373,1009 5.493,1010 3.573,1011 5.257,1012 -0.538,1013 6.34,1014 0.334,1015 2.944,1016 3.481,1017 2.243,1018 5.999,1019 2.768,1020 6.467,1021 -1,1022 7.88,1023 -1.185,1024 5.043,1025 5.91,1026 3.773,1027 8.954,1028 4.854,1029 7.713,1030 -1.11,1031 9.483,1032 -2,1033 5.198,1034 6.271,1035 4.238,1036 10.335,1037 4.904,1038 8.995,1039 -1.414,1040 11.127,1041 -2.494,1042 6.686,1043 8.065,1044 5.393,1045 12.712,1046 6.389,1047 10.299,1048 -1.594,1049 12.798,1050 -3.122,1051 7.245,1052 8.847,1053 6.092,1054 14.428,1055 6.848,1056 11.619,1057 -1.618,1058 14.488,1059 -3.658,1060 8.464,1061 10.362,1062 7.095,1063 16.588,1064 8.059,1065 2.644,1066 -1.841,1067 16.189,1068 -4.372,1069 9.218,1070 11.353,1071 7.894,1072 18.446,1073 8.728,1074 2.542,1075 7.414,1076 17.899,1077 -4.747,1078 10.31,1079 12.733,1080 8.83,1081 20.514,1082 9.804,1083 1.784,1084 6.997,1085 19.615,1086 3.479,1087 11.162,1088 13.835,1089 9.673,1090 22.437,1091 10.585,1092 1.414,1093 3.651,1094 21.334,1095 2.989,1096 12.19,1097 15.147,1098 10.58,1099 24.463,1100 11.59,1101 1.155,1102 3.01,1103 23.057,1104 1.888,1105 13.092,1106 16.309,1107 11.443,1108 26.418,1109 12.433,1110 0.783,1111 2.488,1112 24.782,1113 1.694,1114 14.088,1115 17.586,1116 12.336,1117 28.424,1118 13.402,1119 0.618,1120 1.641,1121 26.508,1122 1.368,1123 15.017,1124 18.782,1125 13.209,1126 30.395,1127 14.279,1128 2362,1129 4352,1130 10.227,1131 20.466,1132 22.513,1133 22.377,1134 22.544,1135 22.242,1136 22.2,1137 26.755,1138 5.402,1139 53.815,1140 21.174,1141 4.862,1142 5.676,1143 5.567,1144 4.644,1145 4.629,1146 6.064,1147 4.062,1148 12.743,1149 4.498,1150 8.395,1151 1.407,1152 1.399,1153 1.409,1154 1.39,1155 1.387,1156 1.672,1157 0.338,1158 3.363,1159 1.323,1160 3.94,1161 4.009,1162 3.868,1163 3.746,1164 7.476,1165 3.763,1166 3.765,1167 3.813,1168 3.649,1169 3.603,1170 6.448,1171 3.605,1172 3.549,1173 3.59,1174 3.421,1175 3.36,1176 6.344,1177 3.367,1178 3.247,1179 3.302,1180 3.082,1181 3.024,1182 4.953,1183 3.031,1184 2.915,1185 2.982,1186 2.726,1187 2.635,1188 4.136,1189 2.642,1190 2.654,1191 2.72,1192 2.433,1193 2.322,1194 3.833,1195 2.32,1196 2.481,1197 2.579,1198 2.261,1199 2.219,1200 3.479,1201 2.228,1202 2.378,1203 2.495,1204 2.097,1205 1.964,1206 3.326,1207 1.986,1208 0.245,1209 0.235,1210 0.359,1211 0.226,1212 0.165,1213 3.92,1214 0.217,1215 3.752,1216 0.151,1217 5.736,1218 0.463,1219 3.619,1220 0.16,1221 2.644,1222 3.479,1223 2.413,1224 7.414,1225 2.555,1226 1.798,1227 1.74,1228 2.033,1229 1.974,1230 1.389,1231 1.994,1232 1.631,1233 1.576,1234 1.846,1235 1.854,1236 1.152,1237 1.849,1238 1.404,1239 1.354,1240 1.615,1241 1.65,1242 0.831,1243 1.638,1244 1.292,1245 1.226,1246 1.481,1247 1.526,1248 0.547,1249 1.515,1250 1.097,1251 1.037,1252 1.35,1253 1.384,1254 0.385,1255 1.38,1256 0.78,1257 0.705,1258 1.135,1259 1.121,1260 0.223,1261 1.123,1262 0.483,1263 0.399,1264 0.928,1265 0.937,1266 0.032,1267 0.924,1268 0.273,1269 0.159,1270 0.775,1271 0.724,1273 0.771,1274 3.497,1276 4.691,1277 2.398,1278 6.033,1279 4.443,1280 7.439,1281 6.26,1282 8.879,1289 17.471,1290 5.113,1294 -1.2,1300 19.402,1301 53.106,1302 106.503,1303 133,1304 151.464,1305 160.974,1306 160.974,1307 36.272,1308 5.252,1309 75.35,1310 75.35,1311 5,1312 10.986,1313 2.807,1314 2.17,1315 35.137,1316 56,1317 36,1318 0.305,1319 125.688,1320 216.05,1321 298.439,1322 1022,1324 11.803,1325 0.738,1326 0.578,1327 11.803,1328 9.249,1329 7.698,1330 0.481,1331 0.348,1332 5.473,1333 7.314,1334 5.402,1335 4.51,1336 7.698,1337 5.565,1338 6.363,1339 0.335,1340 0.203,1341 6.363,1342 3.857,1343 4.635,1344 0.232,1345 0.124,1346 4.635,1347 2.488,1348 2.885,1349 0.152,1350 0.08,1351 2.885,1352 1.528,1353 1.609,1354 0.107,1355 0.058,1356 1.609,1357 0.874,1358 0.504,1359 49.035,1360 0.313,1361 17.194,1362 0.761,1363 70,1364 247.325,1365 80.057,1366 230.976,1367 290.64,1368 212,1369 74,1370 189.869,1371 83.561,1372 189.193,1373 266.62,1374 176,1375 6.854} {0 CHEMBL544902,1 1.612,2 9.222,3 1.354,4 1.834,5 64.144,6 7.064,7 0.278,8 3.655,9 3.774,10 3.124,11 3.062,12 4.839,13 3.056,14 4.187,15 4.375,16 3.395,17 3.429,18 5.465,19 3.367,20 4.479,21 4.728,22 3.302,23 3.513,24 5.489,25 3.4,26 4.514,27 4.76,28 3.33,29 3.44,30 5.931,31 3.331,32 4.392,33 4.659,34 2.983,35 3.313,36 5.394,37 3.176,38 4.225,39 4.495,40 2.888,41 3.171,42 5.209,43 3.041,44 4.08,45 4.336,46 2.808,47 3.024,48 5.133,49 2.919,50 3.929,51 4.169,52 2.732,53 2.847,54 5.06,55 2.774,56 0.1,57 0.484,58 8.014,59 3.148,60 18.664,61 4.325,62 0.377,63 0.727,64 14.71,65 5.067,66 70.83,67 7.372,68 0.398,69 0.784,70 20.98,71 6.42,72 70.177,73 9.653,74 0.824,75 0.737,76 22.689,77 6.08,78 159.619,79 9.331,80 0.511,81 0.652,82 20.052,83 5.333,84 88.192,85 8.249,86 0.397,87 0.565,88 16.789,89 4.526,90 67.408,91 7.065,92 0.364,93 0.487,94 14.519,95 3.755,96 61.594,97 5.838,98 0.329,99 0.413,100 12.487,101 2.976,102 56.631,103 4.693,104 28,105 22,106 0.302,107 0.591,108 0.719,109 0.815,110 0.864,111 0.864,112 2.956,113 1.004,114 -2.22,115 -2.26,116 -2.23,118 33.3,120 5,121 1,124 1,143 1,149 1,154 2,156 1,163 2,167 2,168 5,169 2,171 1,172 3,175 2,177 2,180 4,181 2,182 1,186 3,187 2,191 2,192 2,194 3,195 2,197 1,198 4,201 2,202 1,203 2,206 2,207 2,210 4,215 2,218 1,219 2,222 4,227 2,230 2,234 4,239 2,247 1,248 2,258 2,259 1,262 2,270 378,271 11.795,272 11.795,273 11.795,274 11.795,275 11.795,276 10.808,277 9.36,278 7.402,279 11.99,280 8.875,281 8.875,282 8.875,283 8.875,284 8.875,285 7.438,286 5.922,287 3.492,288 9.172,289 3.558,290 2.013,291 1.333,292 0.82,293 0.556,294 0.556,295 3.586,299 1,300 1,301 326,302 3.937,305 62.48,313 1.531,314 27.085,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 41,326 166,327 4.072,328 3.959,329 6.273,330 3.879,331 2.876,332 3.479,333 2.563,334 9.105,335 2.867,336 3.92,337 3.385,338 5.352,339 3.458,340 2.542,341 3.271,342 2.176,343 6.997,344 2.328,345 3.214,346 2.646,347 4.414,348 2.781,349 1.786,350 2.303,352 4,353 1.774,354 2.851,355 1.941,356 3.861,357 2.744,358 1.732,359 1.882,361 3.638,362 1.712,363 2.643,364 1.669,365 3.579,366 2.357,367 1.388,368 1.665,370 2.928,371 1.341,372 2.284,373 1.346,374 3.291,375 2.03,376 1.069,377 1.227,379 2.31,380 1.021,381 2.118,382 0.93,383 3,384 1.574,385 0.618,386 0.927,388 1.372,389 0.578,390 1.78,391 0.618,392 2.83,393 1.552,394 0.583,395 0.65,397 1.282,398 0.569,399 1.155,400 0.5,401 2.325,402 0.991,408 0.536,409 0.409,410 1.893,411 0.34,412 -0.643,413 -0.682,415 -1.456,416 -0.618,417 0.461,418 0.139,419 1.586,421 -1,422 -1.244,424 -2,425 -0.961,426 0.322,427 -0.464,428 1.34,429 -0.017,430 -1,431 -1.303,433 -2,434 -0.975,435 -0.015,436 -0.945,437 1,438 -0.24,439 -1.197,440 -1.452,442 -2.681,443 -1.162,444 -0.118,445 -1.039,446 1,447 -0.596,448 -1.567,449 -1.742,451 -3.344,452 -1.469,453 -0.36,454 -1.499,455 1,456 -0.705,457 -1.618,458 -1.967,459 -0.359,460 -4.372,461 -1.528,462 8.133,463 0.452,464 0.391,465 0.022,466 18.25,467 1.014,468 7,469 0.389,470 11.25,471 0.625,472 14.518,473 0.807,474 21.867,475 0.607,476 11.935,477 0.663,478 3.517,479 0.195,480 5.092,481 0.283,482 0.164,484 0.234,487 0.831,488 1.639,489 0.877,490 1.363,491 0.723,492 1.164,493 0.465,494 1.252,495 0.933,496 1.268,497 0.362,498 1.213,499 0.798,500 1.083,501 0.939,502 1.147,503 0.811,504 1.089,505 0.736,506 0.912,507 0.932,508 0.972,509 0.723,510 1.001,511 1.06,512 0.866,513 1.066,514 0.907,515 1.059,516 0.982,517 0.951,518 0.903,519 0.993,520 0.928,521 0.937,522 0.965,523 1.11,524 0.923,525 1.059,526 0.927,527 1.098,528 0.97,529 1.296,530 1.047,531 1.117,532 0.964,533 1.3,534 0.989,535 3,536 0.092,537 1.556,538 1.097,539 0.365,540 0.247,541 0.178,542 0.103,543 0.081,544 0.135,545 2971,546 10674,547 1.876,548 50,549 8,550 2,551 1,552 2,553 2,554 1,555 2,558 1.576,559 1.742,560 3.151,561 0.483,563 1,564 1,565 1,567 58.039,568 1.612,569 3.157,570 3.837,571 4.35,572 4.614,573 4.614,574 2.419,575 3.059,576 4.147,577 3.391,578 518.808,579 6.982,580 5466.97,582 1,585 186.117,586 1.436,587 4.086,588 0.167,589 0.008,590 0.071,591 0.058,592 0.02,593 0.019,594 0.015,595 0.009,596 0.008,597 0.014,598 0.388,599 0.5,600 1,601 2.688,602 80.092,603 -0.106,604 -0.257,605 -0.014,606 -0.067,607 -0.055,608 -0.029,609 0.209,610 -0.015,611 -0.05,612 -0.127,613 0.247,614 -0.147,615 -0.043,616 -0.105,617 -0.017,618 -0.119,619 -0.042,620 -0.065,621 0.246,622 -0.015,623 0.046,624 -0.021,625 0.284,626 -0.033,627 -0.154,628 0.015,629 -0.1,630 0.028,631 -0.148,632 -0.015,633 -0.11,634 -0.001,635 -0.038,636 0.016,637 -0.108,638 0.011,639 -0.168,640 -0.009,641 -0.086,642 0.007,643 -0.163,644 -0.012,645 -0.225,646 -0.129,647 -0.118,648 -0.054,649 -0.229,650 -0.058,651 2.916,652 3.625,653 0.278,654 14,655 1.016,656 1.143,657 0.987,658 0.975,659 0.609,660 2.944,661 3.135,662 3.219,663 3.258,664 2.89,665 2.833,666 2.773,667 2.708,668 2.708,669 2.833,670 5.984,671 0.587,672 254.32,673 2.944,674 4.394,675 5.153,676 5.948,677 6.72,678 7.517,679 8.293,680 9.09,681 9.867,682 10.664,683 5.6,691 1,693 1,699 3,700 1,705 1,706 5,724 36,726 7,728 18,730 36,731 12,733 3,739 1,740 1,751 5,753 5,754 7,755 1,756 2,761 2,765 2,769 1,772 18,773 5,774 2,775 6,778 1,779 2,784 1,785 4,801 1,818 2,830 2,832 1,840 18,845 2,846 6,850 1,862 11.1,864 2,865 2,869 10.333,870 5.967,871 4.222,872 2.244,874 0.879,875 1.161,876 0.841,877 6.436,878 6.334,879 3.157,880 3.534,881 3.793,882 4.12,883 3.594,884 3.566,885 3.537,886 3.508,887 3.537,888 3.804,889 0.833,890 19,891 6.688,893 2.763,894 8.315,895 12.292,897 9.494,899 2.815,900 50.667,901 0.001,904 188.338,905 43.312,906 18.685,908 135.657,911 43.312,912 323.994,913 18.685,915 14.778,916 9.047,917 186.423,918 10.947,919 11.771,920 153.024,922 188.338,923 61.996,924 135.657,927 164.795,928 159.199,931 34.343,932 10.867,933 16.786,935 188.338,936 154.341,937 43.312,940 188.338,941 16.598,942 28.613,944 152.442,945 188.338,946 154.341,947 43.312,949 0.555,950 0.303,951 0.148,952 0.047,953 7,954 4,955 0.25,956 9,958 1,959 3.139,960 104.108,962 5,963 69.059,968 14.709,969 7.876,970 5.71,972 152.442,973 5.375,974 3.932,979 1.983,980 85.367,981 385.99,982 22.5,987 21.25,991 -2.498,994 36.582,995 41.156,996 0.312,997 0.611,998 0.742,999 0.841,1000 0.893,1001 0.893,1002 4.321,1003 0.583,1004 5.081,1005 1.372,1006 3.807,1007 4.212,1008 2.947,1009 5.74,1010 3.746,1011 5.442,1013 6.558,1014 1.282,1015 3.219,1016 3.795,1017 2.882,1018 6.466,1019 3.131,1020 6.677,1021 -0.643,1022 8.147,1024 5.242,1025 6.093,1026 4.418,1027 9.46,1028 5.128,1029 7.948,1030 -1,1031 9.806,1032 -1.456,1033 5.525,1034 6.549,1035 4.899,1036 11.092,1037 5.392,1038 9.253,1039 -1,1040 11.513,1041 -2,1042 6.976,1043 8.265,1044 6.074,1045 13.564,1046 6.826,1047 10.58,1048 -1.197,1049 13.252,1050 -2,1051 7.663,1052 9.111,1053 6.789,1054 15.535,1055 7.506,1056 11.923,1057 -1.567,1058 15.014,1059 -2.681,1060 8.878,1061 10.58,1062 7.82,1063 17.834,1064 8.71,1065 2.876,1066 -1.618,1067 16.793,1068 -3.344,1069 9.754,1070 11.612,1071 8.644,1072 19.94,1073 9.588,1074 2.542,1075 9.105,1076 18.584,1077 -4.372,1078 10.868,1079 12.965,1080 9.615,1081 22.177,1082 10.698,1083 1.786,1084 6.997,1085 20.383,1086 3.479,1087 11.831,1088 14.09,1089 10.492,1090 24.339,1091 11.667,1092 1.732,1093 4,1094 22.19,1095 3.271,1096 12.902,1097 15.384,1098 11.438,1099 26.556,1100 12.738,1101 1.388,1102 3.638,1103 24.002,1104 2.303,1105 13.907,1106 16.558,1107 12.343,1108 28.742,1109 13.75,1110 1.069,1111 2.928,1112 25.818,1113 1.882,1114 14.961,1115 17.823,1116 13.28,1117 30.952,1118 14.807,1119 0.618,1120 2.31,1121 27.637,1122 1.665,1123 15.987,1124 19.023,1125 14.199,1126 33.15,1127 15.839,1128 3144,1129 6061,1130 11.326,1131 21.921,1132 25.765,1133 25.708,1134 26.09,1135 25.231,1136 25.187,1137 30.806,1138 9.479,1139 63.265,1140 24.38,1141 5.021,1142 5.886,1143 6.1,1144 4.905,1145 4.863,1146 6.064,1147 4.315,1148 15.105,1149 4.818,1150 10.347,1151 1.431,1152 1.428,1153 1.449,1154 1.402,1155 1.399,1156 1.711,1157 0.527,1158 3.515,1159 1.354,1160 3.942,1161 4.01,1162 3.869,1163 3.752,1164 7.49,1165 3.767,1166 3.802,1167 3.839,1168 3.716,1169 3.638,1170 7.456,1171 3.65,1172 3.587,1173 3.63,1174 3.451,1175 3.415,1176 6.355,1177 3.42,1178 3.264,1179 3.327,1180 3.084,1181 3.065,1182 6.347,1183 3.062,1184 3.105,1185 3.063,1186 3.067,1187 2.645,1188 4.953,1189 2.758,1190 2.879,1191 2.969,1192 2.652,1193 2.634,1194 4.147,1195 2.625,1196 2.525,1197 2.634,1198 2.282,1199 2.308,1200 3.865,1201 2.29,1202 2.446,1203 2.556,1204 2.207,1205 2.162,1206 3.527,1207 2.151,1208 0.226,1209 0.22,1210 0.348,1211 0.215,1212 0.16,1213 4.072,1214 0.193,1215 3.959,1216 0.142,1217 6.273,1218 0.506,1219 3.879,1220 0.159,1221 2.876,1222 3.479,1223 2.563,1224 9.105,1225 2.867,1226 1.81,1227 1.758,1228 2.037,1229 1.981,1230 1.397,1231 1.999,1232 1.663,1233 1.614,1234 1.862,1235 1.876,1236 1.177,1237 1.867,1238 1.442,1239 1.39,1240 1.638,1241 1.677,1242 0.868,1243 1.666,1244 1.298,1245 1.232,1246 1.489,1247 1.526,1248 0.576,1249 1.517,1250 1.126,1251 1.057,1252 1.373,1253 1.395,1254 0.404,1255 1.4,1256 0.788,1257 0.823,1258 1.153,1259 1.291,1260 0.247,1261 1.172,1262 0.779,1263 0.688,1264 0.935,1265 1.081,1266 0.057,1267 1.116,1268 0.428,1269 0.303,1270 0.927,1271 0.79,1273 0.846,1274 3.611,1276 4.828,1277 2.398,1278 6.201,1279 4.443,1280 7.65,1281 6.26,1282 9.143,1289 17.361,1290 4.529,1294 -1.265,1300 21.116,1301 58.039,1302 113.647,1303 138.143,1304 156.608,1305 166.117,1306 166.117,1307 51.558,1308 5.455,1309 92.42,1310 92.42,1311 5,1312 11.268,1313 3,1314 2.459,1315 42.308,1316 66,1317 46,1318 0.312,1319 136.349,1320 239.5,1321 324.452,1322 1320,1324 13.38,1325 0.743,1326 0.564,1327 13.38,1328 10.157,1329 8.609,1330 0.478,1331 0.335,1332 5.92,1333 8.149,1334 5.846,1335 4.873,1336 8.609,1337 6.023,1338 7.294,1339 0.332,1340 0.192,1341 7.294,1342 4.232,1343 5.087,1344 0.212,1345 0.117,1346 5.087,1347 2.814,1348 3.902,1349 0.156,1350 0.071,1351 3.902,1352 1.768,1353 1.784,1354 0.105,1355 0.057,1356 1.784,1357 0.969,1358 0.512,1359 55.076,1360 0.297,1361 18.977,1362 0.791,1363 80,1364 311.061,1365 92.381,1366 289.685,1367 361.02,1368 264,1369 86,1370 235.263,1371 96.669,1372 233.694,1373 329.42,1374 217,1375 6.26} {0 CHEMBL544903,1 1.533,2 8.143,3 1.645,4 2.704,5 52.902,6 6.543,7 0.357,8 3.46,9 3.598,10 2.875,11 2.899,12 4.541,13 2.864,14 3.993,15 4.2,16 3.091,17 3.244,18 5.118,19 3.143,20 4.241,21 4.526,22 2.801,23 3.251,24 5.066,25 3.072,26 4.136,27 4.427,28 2.708,29 3.135,30 4.948,31 2.959,32 4.042,33 4.336,34 2.615,35 3.011,36 4.88,37 2.842,38 3.884,39 4.17,40 2.509,41 2.846,42 4.783,43 2.696,44 3.696,45 3.972,46 2.392,47 2.647,48 4.675,49 2.525,50 3.465,51 3.723,52 2.258,53 2.399,54 4.572,55 2.318,56 0.032,57 0.411,58 7.092,59 2.661,60 6.997,61 3.857,62 0.185,63 0.603,64 12.442,65 4.363,66 34.922,67 6.507,68 0.217,69 0.609,70 16.234,71 5.034,72 37.187,73 7.807,74 0.194,75 0.544,76 14.613,77 4.437,78 31.979,79 6.956,80 0.19,81 0.483,82 13.354,83 3.875,84 30.919,85 6.15,86 0.175,87 0.409,88 11.459,89 3.158,90 28.412,91 5.057,92 0.161,93 0.336,94 9.564,95 2.441,96 25.933,97 3.965,98 0.146,99 0.262,100 7.669,101 1.723,102 22.055,103 2.872,104 12,105 16,106 0.303,107 0.607,108 0.732,109 0.824,110 0.863,111 0.89,112 2.725,113 1.068,114 -2.48,115 -2.51,116 -2.45,118 33.3,120 6,144 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,172 2,175 2,177 1,180 4,181 1,186 2,191 2,194 3,195 1,198 2,203 2,206 2,207 1,210 2,215 2,218 1,219 1,222 2,227 2,230 1,234 2,239 2,248 1,252 1,258 1,262 1,265 1,270 190,271 9.38,272 9.38,273 9.38,274 9.38,275 9.38,276 8.552,277 6.78,278 6.152,279 9.521,280 6.949,281 6.949,282 6.949,283 6.949,284 6.949,285 5.752,286 3.363,287 2.991,288 7.16,289 3.374,290 1.834,291 1.2,292 0.733,293 0.533,294 0.4,295 3.347,299 1,300 1,301 225,302 3.082,305 44.993,313 1.429,314 14.262,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 31,326 114,327 3.92,328 3.596,329 5.352,330 3.499,331 2.542,332 3.479,333 2.341,334 6.997,335 2.431,336 3.55,337 2.734,338 4.659,339 3.24,340 2.235,341 2.71,343 5.184,344 2.221,345 2.822,346 1.794,347 3.773,348 2.712,349 1.72,350 1.862,352 3.494,353 1.702,354 2.589,355 1.462,356 3.44,357 2.263,358 1.308,359 1.599,361 2.736,362 1.245,363 2.118,364 1.114,365 3,366 1.883,367 0.91,368 1.017,370 1.888,371 0.881,372 2.071,373 0.631,374 3,375 1.532,376 0.618,377 0.927,379 1.372,380 0.564,381 1.352,382 0.618,383 2.427,384 1.213,385 0.221,386 0.239,388 0.466,389 0.218,390 0.669,391 0.262,392 1.857,393 0.485,394 -0.513,395 -0.548,397 -1.137,398 -0.503,399 0.386,400 -0.237,401 1.269,402 0.006,403 -1,404 -1.163,406 -2,407 -0.955,408 0.037,409 -0.798,410 1,411 -0.157,412 -1.12,413 -1.415,415 -2.526,416 -1.114,417 -0.118,418 -1.35,419 1,420 -0.553,421 -1.517,422 -1.729,424 -3.213,425 -1.456,426 -0.291,427 -1.618,428 0.67,429 -0.682,430 -1.618,431 -1.965,433 -4.138,434 -1.514,435 -0.68,436 -1.711,437 0.384,438 -0.837,439 -1.807,440 -2.427,441 -0.757,442 -4.372,443 -1.765,444 -0.925,445 -1.875,446 0.168,447 -1.004,448 -1.979,449 -2.585,450 -1.584,451 -4.751,452 -1.954,462 6.467,463 0.462,464 0.212,465 0.015,466 14,467 1,468 5.5,469 0.393,470 8.5,471 0.607,472 10.443,473 0.746,474 16.933,475 0.564,476 7.082,477 0.506,478 2.573,479 0.184,480 4.215,481 0.301,482 0.103,484 0.155,487 0.847,488 1.547,489 0.957,490 1.322,491 0.701,492 1.177,493 0.453,494 1.326,495 0.999,496 1.354,497 0.355,498 1.284,499 0.839,500 0.954,501 1.003,502 1.021,503 0.868,504 1.044,505 0.815,506 0.938,507 0.964,508 0.987,509 0.799,510 1.003,511 0.89,512 0.901,513 0.951,514 0.929,515 0.879,516 0.949,517 1.044,518 0.909,519 0.994,520 0.911,521 1.039,522 0.937,523 1.269,524 0.921,525 1.057,526 0.885,527 1.272,528 0.921,529 1.629,530 0.939,531 1.157,532 0.843,533 1.605,534 0.895,535 2,536 0.04,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.041,543 0.081,544 0.055,545 1527,546 4817,547 1.919,548 53.3,549 8,551 1,552 1,553 2,554 4,558 1.492,559 1.826,560 3.053,561 0.547,565 1,567 45.987,568 1.533,569 3.073,570 3.707,571 4.174,572 4.374,573 4.507,574 2.468,575 2.95,576 3.781,577 3.214,578 292.433,579 6.227,580 2509.34,582 1,585 147.207,586 1.149,587 3.753,588 0.143,589 0.01,590 0.042,591 0.032,592 0.02,593 0.015,594 0.012,595 0.006,596 0.013,597 0.009,598 0.302,599 0.5,600 1,601 2.577,602 56.489,603 -0.092,604 -0.161,605 -0.01,606 -0.035,607 -0.028,608 -0.013,609 0.222,610 -0.129,611 -0.077,612 -0.21,613 0.253,614 -0.202,615 -0.075,616 -0.033,617 -0.082,618 -0.041,619 -0.08,620 -0.061,621 -0.06,622 -0.026,623 -0.041,624 -0.022,625 -0.059,626 -0.027,627 -0.073,628 -0.009,629 -0.016,630 0.008,631 -0.075,632 0.008,633 -0.115,634 -0.012,635 -0.037,636 0.009,637 -0.116,638 0.003,639 -0.176,640 -0.015,641 -0.068,642 0.009,643 -0.177,644 -0.004,645 -0.275,646 -0.02,647 -0.118,648 0.011,649 -0.232,650 -0.015,651 2.364,652 3.205,653 0.357,654 9.571,655 1.001,656 1.144,657 1.253,658 1.57,659 0.608,660 2.708,661 2.833,662 2.833,663 2.89,664 2.639,665 2.565,666 2.485,667 2.398,668 2.398,669 2.197,670 5.202,671 0.572,672 196.28,673 2.708,674 4.111,675 4.828,676 5.587,677 6.323,678 7.086,679 7.83,680 8.595,681 9.346,682 10.113,683 6.7,691 1,693 1,699 2,700 1,701 1,704 1,706 5,724 30,726 6,728 14,730 30,731 10,733 3,739 1,740 1,751 6,753 4,754 6,756 1,761 1,765 1,769 1,772 16,773 3,774 2,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,840 14,845 1,846 6,862 6.7,864 1,865 1,869 7.667,870 4.983,871 3.333,872 1.958,874 0.9,875 1.179,876 0.876,877 5.121,878 5.923,879 2.918,880 3.268,881 3.508,882 3.862,883 3.446,884 3.414,885 3.38,886 3.346,887 3.446,888 3.446,889 1,890 11,891 5.153,892 0.002,893 2.005,894 7.988,895 9.858,896 0.001,897 7.505,898 0.001,899 2.488,900 34.833,901 0.005,904 164.795,905 36.54,906 33.571,908 67.828,911 36.54,912 232.624,913 33.571,915 15.207,916 9.047,917 105.913,918 19.542,919 11.771,920 141.253,922 164.795,923 70.111,924 67.828,927 164.795,928 67.828,931 43.368,932 9.957,933 16.786,935 164.795,936 101.399,937 36.54,940 164.795,941 18.874,942 17.666,943 16.786,944 84.614,945 164.795,946 101.399,947 36.54,949 0.535,950 0.261,951 0.127,952 0.05,953 5,954 2,955 0.233,956 7,958 1,959 2.824,960 69.878,962 5,963 53.303,968 11.09,969 6.464,970 5.388,972 84.614,973 3.58,974 4.113,975 2.908,978 1.086,980 59.469,981 302.735,982 17.5,987 10.205,991 -0.697,994 30.043,995 34.322,996 0.312,997 0.626,998 0.755,999 0.851,1000 0.891,1001 0.918,1002 4.03,1003 -0.513,1004 4.691,1005 0.466,1006 3.497,1007 3.942,1008 2.258,1009 5.209,1010 3.44,1011 5.111,1012 -1,1013 6.061,1014 -1.137,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.498,1020 6.305,1021 -1.12,1022 7.522,1023 -2,1024 4.796,1025 5.802,1026 3.628,1027 8.45,1028 4.684,1029 7.534,1030 -1.517,1031 9.04,1032 -2.526,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.556,1038 8.797,1039 -1.618,1040 10.596,1041 -3.213,1042 6.319,1043 7.947,1044 5.201,1045 12.008,1046 6.144,1047 10.081,1048 -1.807,1049 12.181,1050 -4.138,1051 6.666,1052 8.683,1053 5.889,1054 13.616,1055 6.428,1056 11.383,1057 -1.979,1058 13.786,1059 -4.372,1060 7.966,1061 10.242,1062 6.849,1063 15.731,1064 7.717,1065 2.542,1067 15.406,1068 -4.751,1069 8.552,1070 11.213,1071 7.625,1072 17.524,1073 8.23,1074 2.235,1075 6.997,1076 17.037,1078 9.687,1079 12.621,1080 8.526,1081 19.538,1082 9.354,1083 1.72,1084 5.184,1085 18.676,1086 3.479,1087 10.412,1088 13.718,1089 9.342,1090 21.415,1091 10.003,1092 1.308,1093 3.494,1094 20.322,1095 2.71,1096 11.456,1097 15.049,1098 10.216,1099 23.388,1100 11.032,1101 0.91,1102 2.736,1103 21.973,1104 1.862,1105 12.261,1106 16.214,1107 11.051,1108 25.303,1109 11.763,1110 0.618,1111 1.888,1112 23.628,1113 1.599,1114 13.254,1115 17.504,1116 11.912,1117 27.259,1118 12.735,1119 0.221,1120 1.372,1121 25.287,1122 1.017,1123 14.107,1124 18.706,1125 12.755,1126 29.19,1127 13.519,1128 1636,1129 2963,1130 9.129,1131 18.25,1132 19.342,1133 19.275,1134 19.303,1135 19.084,1136 19.107,1137 23.665,1138 4.682,1139 44.274,1140 18.523,1141 4.845,1142 5.471,1143 5.185,1144 4.503,1145 4.521,1146 6.064,1147 3.925,1148 11.749,1149 4.384,1150 6.371,1151 1.382,1152 1.377,1153 1.379,1154 1.363,1155 1.365,1156 1.69,1157 0.334,1158 3.162,1159 1.323,1160 3.927,1161 3.993,1162 3.855,1163 3.755,1164 7.474,1165 3.767,1166 3.738,1167 3.795,1168 3.607,1169 3.576,1170 6.351,1171 3.576,1172 3.489,1173 3.538,1174 3.356,1175 3.286,1176 4.987,1177 3.292,1178 3.152,1179 3.208,1180 2.98,1181 2.903,1182 4.124,1183 2.914,1184 2.772,1185 2.854,1186 2.541,1187 2.491,1188 3.792,1189 2.496,1190 2.434,1191 2.542,1192 2.209,1193 2.196,1194 3.568,1195 2.182,1196 2.377,1197 2.501,1198 2.122,1199 2.031,1200 3.348,1201 2.033,1202 2.149,1203 2.294,1204 1.826,1205 1.757,1206 2.988,1207 1.747,1208 0.28,1209 0.257,1210 0.382,1211 0.25,1212 0.182,1213 3.92,1214 0.248,1215 3.596,1216 0.167,1217 5.352,1218 0.5,1219 3.499,1220 0.174,1221 2.542,1222 3.479,1223 2.341,1224 6.997,1225 2.431,1226 1.789,1227 1.733,1228 2.025,1229 1.948,1230 1.377,1231 1.976,1232 1.592,1233 1.543,1234 1.814,1235 1.783,1236 1.108,1237 1.791,1238 1.386,1239 1.307,1240 1.595,1241 1.691,1242 0.747,1243 1.667,1244 1.269,1245 1.208,1246 1.488,1247 1.521,1248 0.504,1249 1.509,1250 0.951,1251 0.891,1252 1.23,1253 1.251,1254 0.329,1255 1.244,1256 0.611,1257 0.524,1258 1.001,1259 0.973,1260 0.092,1261 0.992,1262 0.314,1263 0.186,1264 0.817,1265 0.721,1267 0.773,1268 0.09,1270 0.699,1271 0.524,1273 0.598,1274 3.367,1276 4.533,1277 2.398,1278 5.832,1279 4.443,1280 7.195,1281 6.26,1282 8.598,1289 8.406,1290 5.232,1300 17.16,1301 45.987,1302 92.187,1303 111.207,1304 125.207,1305 131.207,1306 135.207,1307 24.834,1308 5.024,1309 65.98,1310 65.98,1311 5,1312 10.742,1313 2.807,1314 2.17,1315 28.463,1316 44,1317 32,1318 0.316,1319 112.099,1320 189.96,1321 265.282,1322 740,1324 10.226,1325 0.73,1326 0.586,1327 10.226,1328 8.2,1329 6.788,1330 0.485,1331 0.356,1332 4.918,1333 6.497,1334 4.843,1335 4.06,1336 6.788,1337 4.983,1338 5.536,1339 0.346,1340 0.211,1341 5.536,1342 3.368,1343 3.619,1344 0.226,1345 0.133,1346 3.619,1347 2.128,1348 2.638,1349 0.155,1350 0.08,1351 2.638,1352 1.364,1353 1.434,1354 0.11,1355 0.058,1356 1.434,1357 0.76,1358 0.52,1359 42.835,1360 0.331,1361 15.191,1362 0.791,1363 60,1364 201.863,1365 67.592,1366 191.312,1367 243.07,1368 176,1369 62,1370 161.822,1371 67.85,1372 161.471,1373 224.23,1374 151,1375 4.699} {0 CHEMBL545139,1 1.543,2 9,3 0.803,4 0.645,5 61.077,6 6.438,7 0.313,8 3.614,9 3.763,10 3.011,11 3.015,12 4.699,13 2.985,14 4.155,15 4.371,16 3.251,17 3.379,18 5.24,19 3.289,20 4.438,21 4.719,22 3.109,23 3.454,24 5.422,25 3.287,26 4.44,27 4.738,28 2.912,29 3.37,30 5.306,31 3.189,32 4.291,33 4.6,34 2.803,35 3.238,36 5.089,37 3.053,38 4.143,39 4.442,40 2.716,41 3.095,42 4.997,43 2.929,44 4.001,45 4.294,46 2.622,47 2.944,48 4.91,49 2.796,50 3.837,51 4.121,52 2.532,53 2.759,54 4.828,55 2.634,56 0.04,57 0.482,58 8.5,59 2.9,60 10.973,61 4.428,62 0.225,63 0.703,64 14.89,65 4.706,66 39.94,67 7.363,68 0.308,69 0.733,70 19.786,71 5.927,72 57.05,73 9.42,74 0.323,75 0.672,76 20,77 5.505,78 54.096,79 8.899,80 0.233,81 0.59,82 17.018,83 4.812,84 38.29,85 7.854,86 0.212,87 0.512,88 14.738,89 4.012,90 34.924,91 6.6,92 0.198,93 0.442,94 12.867,95 3.307,96 32.521,97 5.527,98 0.2,99 0.371,100 11.026,101 2.677,102 30.108,103 4.478,104 18,105 19,106 0.293,107 0.613,108 0.746,109 0.846,110 0.898,111 0.898,112 2.847,113 1.058,114 0.23,115 0.07,116 -0.15,118 31.4,120 5,124 1,126 1,143 1,149 1,154 1,156 1,159 1,160 1,161 1,163 1,167 1,168 4,171 1,172 1,175 1,177 1,178 1,180 3,181 1,183 1,184 1,186 2,188 1,189 1,190 1,191 2,193 1,194 2,195 1,196 1,198 3,203 2,206 1,207 1,208 1,210 3,215 2,219 1,220 1,222 3,227 2,230 1,232 1,234 2,239 1,247 1,248 1,249 1,250 1,258 1,262 1,270 274,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.784,277 8.817,278 6.731,279 10.794,280 7.891,281 7.891,282 7.891,283 7.891,284 7.891,285 6.721,286 5.982,287 3.218,288 8.219,289 3.586,290 1.899,291 1.199,292 0.672,293 0.4,294 0.4,295 3.474,299 1,300 1,301 284,302 3.536,305 53.736,313 1.5,314 16.832,317 1,318 1,319 1,320 0.9,321 1,322 1,323 1,324 0.99,325 35.5,326 144,327 3.92,328 3.727,329 5.736,330 3.633,331 2.644,332 3.479,333 2.374,334 7.414,335 2.596,336 3.832,337 2.646,338 5.352,339 3.458,340 2.542,341 2.989,342 0.159,343 6.997,344 2.328,345 2.863,346 2.113,347 3.893,348 2.779,349 1.784,350 1.888,352 3.651,353 1.772,354 2.677,355 1.721,356 3.641,357 2.391,358 1.414,359 1.694,361 3.01,362 1.374,363 2.423,364 1.363,365 3.361,366 2.113,367 1.155,368 1.368,370 2.488,371 1.096,372 2.118,373 0.94,374 3,375 1.754,376 0.783,377 0.927,379 1.641,380 0.754,381 1.932,382 0.618,383 2.912,384 1.554,385 0.618,386 0.864,388 1.372,389 0.577,390 1.243,391 0.453,392 2.376,393 1.132,394 0.159,395 0.168,397 0.334,398 0.154,399 0.547,400 0.227,401 1.88,402 0.426,403 -0.538,404 -0.565,406 -1.185,407 -0.516,408 0.43,409 -0.431,410 1.41,411 -0.002,412 -1,413 -1.167,415 -2,416 -0.959,417 0.037,418 -0.797,419 1.206,420 -0.158,421 -1.11,422 -1.282,424 -2.494,425 -1.056,426 -0.118,427 -1.035,428 1,429 -0.46,430 -1.414,431 -1.577,433 -3.122,434 -1.367,435 -0.266,436 -1.494,437 1,438 -0.621,439 -1.594,440 -1.802,442 -3.658,443 -1.475,444 -0.461,445 -1.618,446 0.677,447 -0.705,448 -1.618,449 -1.972,451 -4.372,452 -1.562,453 -0.734,454 -1.769,455 0.385,456 -0.869,457 -1.841,458 -2.427,459 -0.923,460 -4.747,461 -1.774,462 7.367,463 0.46,464 0.302,465 0.019,466 15.5,467 0.969,468 5.5,469 0.344,470 10,471 0.625,472 12.891,473 0.806,474 19.633,475 0.561,476 8.835,477 0.552,478 2.878,479 0.18,480 4.821,481 0.301,482 0.145,484 0.19,487 0.91,488 1.673,489 0.988,490 1.376,491 0.808,492 1.211,493 0.597,494 1.315,495 1.035,496 1.295,497 0.427,498 1.238,499 0.676,500 1.033,501 0.971,502 1.123,503 0.662,504 1.107,505 1.076,506 0.87,507 1.04,508 0.927,509 1.11,510 0.979,511 0.812,512 0.89,513 0.911,514 0.928,515 0.798,516 0.937,517 0.943,518 0.922,519 0.966,520 0.938,521 0.933,522 0.954,523 1.088,524 0.931,525 1.006,526 0.917,527 1.084,528 0.94,529 1.218,530 0.897,531 1.046,532 0.913,533 1.279,534 0.944,535 2.5,536 0.066,537 1.333,538 0.472,539 0.285,540 0.191,541 0.137,542 0.072,543 0.081,544 0.095,545 2225,546 6767,547 1.895,548 54.3,549 6,550 3,551 1,552 2,553 3,555 4,558 1.536,559 1.778,560 3.181,561 1.311,563 1,565 1,567 54.006,568 1.543,569 3.23,570 3.93,571 4.458,572 4.729,573 4.729,574 2.5,575 3.125,576 3.976,577 3.356,578 402.691,579 6.623,580 3874.3,582 1,585 179.525,586 1.329,587 3.929,588 0.156,589 0.008,590 0.07,591 0.031,592 0.024,593 0.017,594 0.014,595 0.008,596 0.01,597 0.012,598 0.351,599 0.5,600 1,601 2.703,602 68.41,603 -0.109,604 -0.224,605 -0.008,606 -0.061,607 -0.074,608 -0.022,609 0.144,610 -0.07,611 -0.082,612 -0.145,613 0.2,614 -0.149,615 0.09,616 -0.059,617 -0.042,618 -0.107,619 0.118,620 -0.102,621 -0.137,622 0.007,623 -0.09,624 0.016,625 -0.134,626 -0.025,627 -0.047,628 -0.008,629 0.013,630 0.022,631 -0.051,632 0.029,633 -0.089,634 -0.021,635 -0.023,636 0.005,637 -0.09,638 0.005,639 -0.129,640 -0.027,641 -0.042,642 0.006,643 -0.13,644 0.002,645 -0.11,646 0.015,647 -0.051,648 -0.02,649 -0.17,650 -0.027,651 2.571,652 3.439,653 0.313,654 12.125,655 1.001,656 1.15,657 -1.458,658 2.127,659 0.6,660 2.833,661 2.996,662 3.045,663 2.996,664 2.773,665 2.708,666 2.639,667 2.565,668 2.565,669 2.565,670 5.729,671 0.563,672 225.33,673 2.833,674 4.263,675 5.004,676 5.771,677 6.529,678 7.298,679 8.061,680 8.829,681 9.594,682 10.363,683 8.6,684 1,691 1,693 1,699 3,700 1,705 1,706 5,724 35,726 6,728 16,730 35,731 11,733 3,739 1,740 1,751 6,753 4,754 7,756 1,761 1,765 1,769 1,772 19,773 4,774 3,775 5,778 1,779 3,784 1,785 2,801 1,818 1,824 1,830 1,832 1,840 16,841 1,845 1,846 6,850 1,862 5.7,864 1,865 1,869 9,870 5.683,871 3.778,872 2.181,874 0.851,875 1.162,876 0.872,877 5.934,878 6.104,879 3.02,880 3.376,881 3.647,882 3.903,883 3.508,884 3.477,885 3.446,886 3.414,887 3.446,888 3.58,889 0.833,890 15,891 5.904,893 2.338,894 8,895 11.232,897 8.647,899 2.5,900 40,901 0.002,904 188.338,905 42.402,906 51.582,908 67.828,911 42.402,912 256.166,913 51.582,915 47.676,916 9.047,917 117.684,918 10.947,919 11.771,920 153.024,922 188.338,923 93.983,924 67.828,927 141.253,928 114.913,931 67.241,932 9.957,933 16.786,935 188.338,936 119.41,937 42.402,940 188.338,941 15.688,942 28.613,944 117.511,945 188.338,946 119.41,947 42.402,949 0.55,950 0.293,951 0.122,952 0.047,953 6,954 3,955 0.229,956 8,958 1,959 3,960 85.831,962 5,963 64,968 13.041,969 7.281,970 5.598,972 117.511,973 5.52,974 3.961,979 2.045,980 75.581,981 350.149,982 19.5,987 10.439,991 -0.904,994 35.029,995 40.235,996 0.301,997 0.63,998 0.766,999 0.869,1000 0.922,1001 0.922,1002 4.163,1003 0.159,1004 4.905,1005 1.372,1006 3.664,1007 4.052,1008 2.313,1009 5.493,1010 3.584,1011 5.257,1012 -0.538,1013 6.34,1014 0.334,1015 2.944,1016 3.481,1017 2.243,1018 5.999,1019 2.805,1020 6.467,1021 -1,1022 7.88,1023 -1.185,1024 5.043,1025 5.91,1026 3.694,1027 8.954,1028 4.88,1029 7.713,1030 -1.11,1031 9.483,1032 -2,1033 5.198,1034 6.271,1035 4.173,1036 10.335,1037 4.964,1038 8.995,1039 -1.414,1040 11.127,1041 -2.494,1042 6.686,1043 8.065,1044 5.288,1045 12.712,1046 6.437,1047 10.299,1048 -1.594,1049 12.798,1050 -3.122,1051 7.245,1052 8.847,1053 5.985,1054 14.428,1055 6.932,1056 11.619,1057 -1.618,1058 14.488,1059 -3.658,1060 8.464,1061 10.362,1062 6.962,1063 16.588,1064 8.135,1065 2.644,1066 -1.841,1067 16.189,1068 -4.372,1069 9.218,1070 11.353,1071 7.75,1072 18.446,1073 8.837,1074 2.542,1075 7.414,1076 17.899,1077 -4.747,1078 10.31,1079 12.733,1080 8.666,1081 20.514,1082 9.911,1083 1.784,1084 6.997,1085 19.615,1086 3.479,1087 11.162,1088 13.835,1089 9.496,1090 22.437,1091 10.721,1092 1.414,1093 3.651,1094 21.334,1095 2.989,1096 12.19,1097 15.147,1098 10.384,1099 24.463,1100 11.731,1101 1.155,1102 3.01,1103 23.057,1104 1.888,1105 13.092,1106 16.309,1107 11.233,1108 26.418,1109 12.6,1110 0.783,1111 2.488,1112 24.782,1113 1.694,1114 14.088,1115 17.586,1116 12.108,1117 28.424,1118 13.577,1119 0.618,1120 1.641,1121 26.508,1122 1.368,1123 15.017,1124 18.782,1125 12.965,1126 30.395,1127 14.478,1128 2362,1129 4182,1130 10.227,1131 21.017,1132 22.513,1133 22.425,1134 22.544,1135 22.228,1136 22.2,1137 26.755,1138 5.066,1139 53.815,1140 21.303,1141 4.862,1142 5.653,1143 5.567,1144 4.658,1145 4.629,1146 6.064,1147 3.984,1148 12.743,1149 4.539,1150 8.395,1151 1.407,1152 1.402,1153 1.409,1154 1.389,1155 1.387,1156 1.672,1157 0.317,1158 3.363,1159 1.331,1160 3.941,1161 4.01,1162 3.868,1163 3.747,1164 7.474,1165 3.764,1166 3.775,1167 3.832,1168 3.659,1169 3.612,1170 6.351,1171 3.615,1172 3.561,1173 3.618,1174 3.425,1175 3.377,1176 4.978,1177 3.381,1178 3.25,1179 3.316,1180 3.082,1181 3.035,1182 4.951,1183 3.037,1184 2.935,1185 2.992,1186 2.755,1187 2.635,1188 4.128,1189 2.645,1190 2.77,1191 2.901,1192 2.509,1193 2.359,1194 3.82,1195 2.391,1196 2.5,1197 2.617,1198 2.267,1199 2.28,1200 3.466,1201 2.269,1202 2.423,1203 2.549,1204 2.14,1205 2.102,1206 3.324,1207 2.087,1208 0.245,1209 0.233,1210 0.359,1211 0.227,1212 0.165,1213 3.92,1214 0.217,1215 3.727,1216 0.148,1217 5.736,1218 0.463,1219 3.633,1220 0.162,1221 2.644,1222 3.479,1223 2.374,1224 7.414,1225 2.596,1226 1.803,1227 1.744,1228 2.037,1229 1.979,1230 1.392,1231 2,1232 1.646,1233 1.585,1234 1.861,1235 1.87,1236 1.16,1237 1.867,1238 1.423,1239 1.363,1240 1.639,1241 1.668,1242 0.844,1243 1.664,1244 1.295,1245 1.228,1246 1.49,1247 1.526,1248 0.559,1249 1.517,1250 1.11,1251 1.041,1252 1.377,1253 1.388,1254 0.393,1255 1.396,1256 0.78,1257 0.709,1258 1.16,1259 1.19,1260 0.236,1261 1.135,1262 0.631,1263 0.513,1264 0.978,1265 1.051,1266 0.048,1267 1.095,1268 0.406,1269 0.254,1270 0.928,1271 0.766,1273 0.834,1274 3.497,1276 4.691,1277 2.398,1278 6.033,1279 4.443,1280 7.439,1281 6.26,1282 8.879,1288 5.396,1289 8.574,1290 5.668,1294 -0.7,1300 19.708,1301 54.006,1302 113.055,1303 137.551,1304 156.015,1305 165.525,1306 165.525,1307 34.366,1308 5.252,1309 81.14,1310 81.14,1311 5,1312 10.986,1313 2.807,1314 2.17,1315 35.137,1316 56,1317 36,1318 0.305,1319 128.486,1320 218.26,1321 305.266,1322 1022,1324 11.803,1325 0.738,1326 0.586,1327 11.803,1328 9.379,1329 7.698,1330 0.481,1331 0.353,1332 5.555,1333 7.345,1334 5.472,1335 4.588,1336 7.698,1337 5.64,1338 6.363,1339 0.335,1340 0.208,1341 6.363,1342 3.948,1343 4.635,1344 0.232,1345 0.128,1346 4.635,1347 2.558,1348 2.885,1349 0.152,1350 0.082,1351 2.885,1352 1.555,1353 1.609,1354 0.107,1355 0.06,1356 1.609,1357 0.893,1358 0.504,1359 48.746,1360 0.313,1361 17.194,1362 0.761,1363 70,1364 224.488,1365 78.98,1366 213.679,1367 271.84,1368 196,1369 74,1370 182.23,1371 82.456,1372 182.962,1373 256.18,1374 170,1375 6} {0 CHEMBL54520,1 1.622,2 13.925,3 4.307,4 18.554,5 151.223,6 7.8,7 0.5,8 4.368,9 4.473,10 4.082,11 3.96,12 5.466,13 3.911,14 4.928,15 5.077,16 4.394,17 4.359,18 6.181,19 4.293,20 5.24,21 5.426,22 4.517,23 4.562,24 6.317,25 4.472,26 5.341,27 5.531,28 4.577,29 4.636,30 6.412,31 4.54,32 5.434,33 5.62,34 4.609,35 4.682,36 6.717,37 4.565,38 5.515,39 5.747,40 4.518,41 4.637,42 6.64,43 4.492,44 5.375,45 5.615,46 4.395,47 4.522,48 6.431,49 4.34,50 5.24,51 5.48,52 4.322,53 4.36,54 6.52,55 4.202,56 0.162,57 1.019,58 17.192,59 7.701,60 28.619,61 8.479,62 0.655,63 1.689,64 30.541,65 12.766,66 94.37,67 14.968,68 0.836,69 2.184,70 44.843,71 17.258,72 105.221,73 20.205,74 0.731,75 2.42,76 51.185,77 19.081,78 100.253,79 22.002,80 1.117,81 2.535,82 55.757,83 21.674,84 207.888,85 25.292,86 1.249,87 2.609,88 64.044,89 23.109,90 174.124,91 27.563,92 0.899,93 2.297,94 59.36,95 21.49,96 153.34,97 24.435,98 0.975,99 1.986,100 52.002,101 18.827,102 189.026,103 21.599,104 39,105 63,106 0.25,107 0.599,108 0.797,109 0.893,110 0.91,111 0.91,112 3.717,113 1.03,114 -3.87,115 -3.83,116 -3.63,118 41.7,119 1,120 4,124 3,126 1,140 10,141 4,142 1,143 2,150 2,154 2,163 3,167 2,168 15,171 2,172 10,173 1,175 3,180 14,181 1,185 3,186 14,189 1,191 1,194 13,195 2,197 1,198 11,199 3,203 2,206 15,207 3,209 3,210 9,211 2,213 3,215 3,218 17,219 5,221 3,222 13,225 2,227 5,229 12,230 3,231 1,234 8,235 2,239 3,240 2,242 6,243 6,246 1,247 11,250 2,251 1,252 6,255 3,256 5,258 2,259 10,260 1,264 5,267 4,268 3,270 3008,271 26.811,272 26.811,273 26.811,274 26.811,275 26.811,276 23.67,277 21.065,278 15.845,279 27.092,280 21.737,281 21.737,282 21.737,283 21.737,284 21.737,285 16.938,286 20.506,287 7.502,288 22.22,289 4.548,290 2.279,291 0.993,292 0.372,293 0.26,294 0.26,295 4.419,300 1,301 1214,302 4.528,305 93.624,306 349.349,307 123.305,309 177.635,311 209.028,313 1.848,314 57.398,317 0.75,318 0.5,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.71,325 87.167,326 557,327 4.783,328 3.923,329 7.113,330 4.34,331 3.371,332 4.741,333 2.378,334 12.34,335 3.269,336 4.491,337 3.589,338 6.818,339 4.244,340 3.264,341 3.914,342 2.032,343 11.269,344 3.204,345 4.369,346 3.432,347 6.682,348 4.081,349 3.106,350 3.792,351 0.671,352 10.794,353 3.021,354 3.994,355 3.227,356 6.073,357 3.565,358 2.576,359 3.596,360 0.147,361 8.616,362 2.548,363 3.849,364 2.997,365 5.971,366 3.531,367 2.536,368 3.123,370 8.299,371 2.516,372 3.533,373 2.576,374 5.602,375 3.243,376 2.261,377 2.843,379 6.91,380 2.2,381 3.482,382 2.394,383 5.29,384 3.096,385 2.138,386 2.793,388 6.455,389 2.044,390 3.39,391 2.299,392 4.932,393 2.907,394 1.927,395 2.684,397 5.25,398 1.887,399 3.112,400 1.987,401 4.569,402 2.871,403 1.889,404 2.205,406 4.798,407 1.836,408 2.915,409 1.973,410 4.151,411 2.512,412 1.524,413 2.106,415 3.37,416 1.505,417 2.913,418 1.575,419 3.892,420 2.464,421 1.469,422 2.087,424 3.251,425 1.46,426 2.678,427 1.528,428 3.7,429 2.413,430 1.427,431 1.729,433 3.05,434 1.404,435 2.571,436 1.428,437 3.677,438 2.16,439 1.163,440 1.568,442 2.96,443 1.152,444 2.532,445 1.176,446 3.648,447 2.115,448 1.132,449 1.522,451 2.673,452 1.111,453 2.5,454 1.171,455 3.55,456 1.956,457 1,458 1.5,460 2.311,461 0.953,462 19.2,463 0.48,464 1.095,465 0.027,466 50.75,467 1.269,468 25,469 0.625,470 25.75,471 0.644,472 41.054,473 1.026,474 43.2,475 0.6,476 44.878,477 1.122,478 9.665,479 0.242,480 9.584,481 0.24,482 0.113,483 0.052,484 0.302,487 0.868,488 1.311,489 0.794,490 1.3,491 0.734,492 0.965,493 0.573,494 1.171,495 0.948,496 1.119,497 0.45,498 0.993,499 0.992,500 1.003,501 1.019,502 0.964,503 0.933,504 0.936,505 1.144,506 1.039,507 1.148,508 1.151,509 1.011,510 1.049,511 0.943,512 1.153,513 1.134,514 1.213,515 0.926,516 1.177,517 1.078,518 0.917,519 1.021,520 0.949,521 1.163,522 0.995,523 1.196,524 0.977,525 1.121,526 1.113,527 1.229,528 1.028,529 0.9,530 0.988,531 1.039,532 1.144,533 0.913,534 0.965,535 7.5,536 0.253,537 4.667,538 4.299,539 2.991,540 1.563,541 1.126,542 0.739,543 0.565,544 0.274,545 27082,546 74933,547 2.071,548 44.4,549 5,550 17,552 2,553 2,555 6,558 1.799,559 1.928,560 3.687,561 0.149,567 116.763,568 1.622,569 3.891,570 5.177,571 5.798,572 5.909,573 5.909,574 3.003,575 4.872,576 5.302,577 3.954,578 3084.33,579 9.347,580 54436.9,585 444.235,586 1.553,587 5.243,588 0.17,589 0.006,590 0.074,591 0.061,592 0.042,593 0.022,594 0.018,595 0.015,596 0.012,597 0.007,598 0.429,599 0.33,600 0.75,601 0.81,602 226.388,603 -0.149,604 -0.139,605 0.168,606 -0.087,607 -0.117,608 0.025,609 0.283,610 -0.052,611 -0.003,612 -0.054,613 0.231,614 -0.025,615 -0.008,616 0.046,617 -0.04,618 0.058,619 -0.075,620 0.033,621 -0.157,622 0.02,623 -0.127,624 -0.083,625 -0.105,626 -0.08,627 0.107,628 -0.156,629 -0.12,630 -0.156,631 0.151,632 -0.194,633 0.022,634 0.023,635 0.013,636 0.04,637 -0.055,638 -0.007,639 -0.142,640 -0.032,641 0.022,642 0.023,643 -0.123,644 -0.018,645 0.191,646 -0.046,647 0.125,648 0.001,649 0.237,650 0.044,651 4.928,652 6.232,653 0.65,654 41.61,655 1.007,656 1.121,657 2.637,658 6.953,659 0.678,660 3.807,661 4.159,662 4.443,663 4.762,664 5.011,665 5.088,666 5.209,667 5.308,668 5.318,669 5.293,670 8.647,671 0.641,672 561.62,673 3.807,674 5.371,675 6.232,676 7.136,677 8.023,678 8.933,679 9.83,680 10.743,681 11.645,682 12.559,683 4.2,690 1,691 1,693 1,698 2,699 12,700 1,704 5,705 1,706 22,724 72,726 25,727 2,728 44,730 76,731 30,733 19,734 4,735 8,739 5,740 7,745 1,748 3,751 5,753 21,754 9,756 3,761 3,765 2,767 1,772 32,773 8,774 2,775 10,776 1,779 3,784 0.6,785 6,791 1,792 1,795 1,797 1,801 1,802 3,803 1,805 1,807 1,817 1,818 1,830 2,832 3,836 1,840 40,845 2,846 7,848 1,850 1,851 1,862 8.3,863 1,864 1,865 3,866 1,869 20.75,870 12.95,871 8.694,872 4.38,873 1,874 4.179,875 1.489,876 0.978,877 8.534,878 12.725,879 4.078,880 4.684,881 5.241,882 5.853,883 6.4,884 6.665,885 7.092,886 7.475,887 7.668,888 7.875,889 0.889,890 70,891 15.31,893 7.034,894 7.928,895 28.336,897 24.052,899 2.428,900 97.139,904 361.091,905 161.434,906 21.809,908 157.29,910 7.958,911 161.434,912 510.423,913 21.809,914 8.825,915 17.474,916 139.852,917 166.1,918 34.88,919 4.901,920 329.591,922 353.133,923 183.243,924 157.29,925 7.958,927 282.506,928 183.863,929 44.053,931 46.293,932 120.164,933 24.744,935 353.133,936 179.099,937 161.434,938 7.958,939 7.958,940 353.133,941 39.751,942 126.706,944 174.075,945 353.133,946 179.099,947 169.392,949 0.584,950 0.338,951 0.197,952 0.116,953 30,954 14,955 0.132,956 10,957 2,958 1.154,959 4.816,960 408.052,961 0.154,962 26,963 210.877,968 28.263,969 12.078,970 6.241,971 2.237,972 177.2,973 22.725,974 4.281,978 4.52,979 2.223,980 79.815,981 701.624,982 58,987 37.793,991 -1.786,993 -4.122,994 72.498,995 80.703,996 0.263,997 0.631,998 0.839,999 0.94,1000 0.958,1001 0.958,1002 5.335,1003 1.927,1004 6.248,1005 6.455,1006 4.844,1007 5.373,1008 2.888,1009 7.122,1010 4.799,1011 6.56,1012 1.889,1013 7.847,1014 5.25,1015 4.575,1016 5.301,1017 2.619,1018 8.278,1019 4.511,1020 7.894,1021 1.524,1022 9.557,1023 4.798,1024 6.521,1025 7.602,1026 4.161,1027 11.371,1028 6.426,1029 9.266,1030 1.469,1031 11.333,1032 3.37,1033 7.083,1034 8.366,1035 4.508,1036 13.34,1037 6.966,1038 10.674,1039 1.427,1040 13.152,1041 3.251,1042 8.531,1043 10.184,1044 5.652,1045 15.999,1046 8.387,1047 12.108,1048 1.163,1049 14.999,1050 3.05,1051 9.454,1052 11.34,1053 6.261,1054 18.272,1055 9.284,1056 13.562,1057 1.132,1058 16.865,1059 2.96,1060 10.726,1061 12.975,1062 7.24,1063 20.8,1064 10.53,1065 3.371,1066 1,1067 18.746,1068 2.673,1069 11.803,1070 14.326,1071 7.972,1072 23.192,1073 11.58,1074 3.264,1075 12.34,1076 20.636,1077 2.311,1078 13.015,1079 15.892,1080 8.88,1081 25.682,1082 12.765,1083 3.106,1084 11.269,1085 22.535,1086 4.741,1087 14.157,1088 17.341,1089 9.673,1090 28.124,1091 13.879,1092 2.576,1093 10.794,1094 24.441,1095 3.914,1096 15.35,1097 18.885,1098 10.55,1099 30.604,1100 15.045,1101 2.536,1102 8.616,1103 26.352,1104 3.792,1105 16.52,1106 20.382,1107 11.374,1108 33.069,1109 16.187,1110 2.261,1111 8.299,1112 28.267,1113 3.596,1114 17.709,1115 21.922,1116 12.239,1117 35.55,1118 17.35,1119 2.138,1120 6.91,1121 30.187,1122 3.123,1123 18.892,1124 23.445,1125 13.08,1126 38.027,1127 18.504,1128 25390,1129 42470,1130 29.126,1131 48.847,1132 67.129,1133 68.43,1134 68.455,1135 66.439,1136 66.405,1137 86.306,1138 10.455,1139 196.21,1140 64.977,1141 5.756,1142 5.923,1143 6.915,1144 5.39,1145 5.371,1146 7.741,1147 3.994,1148 19.844,1149 5.269,1150 21.061,1151 1.526,1152 1.555,1153 1.556,1154 1.51,1155 1.509,1156 1.961,1157 0.238,1158 4.459,1159 1.477,1160 4.176,1161 4.207,1162 4.451,1163 4.098,1164 7.475,1165 4.101,1166 4.002,1167 4.031,1168 4.137,1169 3.978,1170 7.433,1171 3.912,1172 3.808,1173 3.849,1174 3.927,1175 3.883,1176 7.422,1177 3.718,1178 3.794,1179 3.817,1180 3.746,1181 3.716,1182 6.351,1183 3.677,1184 3.611,1185 3.647,1186 3.535,1187 3.458,1188 6.345,1189 3.462,1190 3.53,1191 3.562,1192 3.435,1193 3.39,1194 4.976,1195 3.348,1196 3.452,1197 3.5,1198 3.386,1199 3.287,1200 4.816,1201 3.302,1202 3.352,1203 3.406,1204 3.255,1205 3.265,1206 4.735,1207 3.209,1208 0.109,1209 0.089,1210 0.162,1211 0.099,1212 0.077,1213 4.783,1214 0.108,1215 3.923,1216 0.054,1217 7.113,1218 0.28,1219 4.34,1220 0.074,1221 3.371,1222 4.741,1223 2.378,1224 12.34,1225 3.269,1226 1.945,1227 1.92,1228 2.047,1229 2.047,1230 1.355,1231 2.05,1232 1.923,1233 1.895,1234 2.039,1235 2.016,1236 1.275,1237 2.023,1238 1.885,1239 1.85,1240 1.994,1241 1.989,1242 1.175,1243 1.996,1244 1.765,1245 1.736,1246 1.902,1247 1.891,1248 1.099,1249 1.93,1250 1.646,1251 1.6,1252 1.829,1253 1.834,1254 1.065,1255 1.842,1256 1.516,1257 1.471,1258 1.695,1259 1.672,1260 0.885,1261 1.702,1262 1.405,1263 1.366,1264 1.612,1265 1.635,1266 0.769,1267 1.632,1268 1.339,1269 1.288,1270 1.518,1271 1.48,1272 0.744,1273 1.554,1274 4.489,1276 5.832,1277 2.398,1278 7.363,1279 5.043,1280 8.983,1281 7.368,1282 10.652,1284 2.09,1289 20.071,1290 1.625,1292 5.546,1294 -1.198,1295 1.134,1300 46.179,1301 116.763,1302 280.182,1303 372.751,1304 417.48,1305 425.48,1306 425.48,1307 101.82,1308 8.546,1309 121.96,1310 131.77,1311 30,1312 13.074,1313 4.7,1314 3.907,1315 64.054,1316 216,1317 169,1318 0.144,1319 284.734,1320 496.05,1321 686.512,1322 78340,1324 28.277,1325 0.707,1326 0.579,1327 28.527,1328 23.166,1329 19.249,1330 0.437,1331 0.343,1332 13.336,1333 17.825,1334 12.901,1335 10.624,1336 20.102,1337 15.108,1338 17.923,1339 0.284,1340 0.19,1341 19.232,1342 11.965,1343 14.44,1344 0.172,1345 0.105,1346 15.274,1347 8.782,1348 12.644,1349 0.109,1350 0.059,1351 13.496,1352 6.823,1353 10.758,1354 0.072,1355 0.033,1356 11.528,1357 4.918,1358 0.23,1359 128.244,1360 0.185,1361 35.935,1362 0.382,1363 214,1364 645.789,1365 267.509,1366 629.514,1367 849.26,1368 584,1369 254,1370 592.809,1371 316.195,1372 624.364,1373 919.84,1374 589,1375 7.699} {0 CHEMBL545364,1 1.609,2 10.158,3 1.628,4 2.649,5 71.539,6 7.827,7 0.55,8 3.6,9 3.7,10 3.193,11 3.094,12 4.828,13 3.103,14 4.06,15 4.207,16 3.457,17 3.403,18 5.377,19 3.39,20 4.229,21 4.424,22 3.279,23 3.445,24 5.303,25 3.365,26 4.177,27 4.393,28 3.146,29 3.357,30 5.177,31 3.255,32 4.131,33 4.369,34 3.151,35 3.231,36 5.209,37 3.151,38 3.981,39 4.196,40 3.062,41 3.096,42 5.172,43 3.052,44 3.813,45 4.007,46 2.925,47 3.022,48 4.969,49 2.965,50 3.718,51 3.942,52 2.766,53 2.899,54 4.893,55 2.788,56 0.068,57 0.458,58 6.135,59 2.882,60 9.396,61 3.45,62 0.292,63 0.69,64 11.196,65 4.281,66 34.514,67 5.299,68 0.343,69 0.733,70 14.963,71 5.557,72 32.245,73 7.074,74 0.233,75 0.691,76 14.361,77 5.51,78 29.022,79 7.315,80 0.261,81 0.639,82 14.482,83 5.063,84 26.545,85 6.979,86 0.269,87 0.546,88 12.427,89 4.071,90 33.829,91 5.273,92 0.206,93 0.487,94 9.831,95 3.48,96 27.074,97 4.451,98 0.287,99 0.449,100 9.11,101 3.281,102 26.326,103 4.71,104 8,105 25,106 0.299,107 0.676,108 0.837,109 0.871,110 0.871,111 0.871,112 3.007,113 0.875,114 -2.73,115 -2.75,116 -2.67,118 42.4,124 2,133 2,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 3,175 1,177 1,180 7,181 1,185 1,186 3,191 1,194 6,195 1,198 2,203 1,206 2,207 2,209 1,210 5,215 2,219 2,222 5,227 2,234 3,235 1,246 1,247 3,250 1,259 2,270 464,271 12.845,272 12.845,273 12.845,274 12.845,275 12.845,276 11.187,277 10.644,278 7.998,279 13.175,280 9.899,281 9.899,282 9.899,283 9.899,284 9.899,285 7.418,286 9.763,287 3.858,288 10.412,289 3.435,290 1.41,291 0.545,292 0.364,293 0.364,294 0.364,295 3.669,298 1,299 1,300 1,301 399,302 3.082,305 62.15,306 68.846,313 1.956,314 17.817,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 42,326 193,327 4.07,328 3.474,329 5.497,330 3.645,331 2.669,332 3.676,333 1.437,334 7.404,335 2.613,336 3.919,337 2.911,338 5.352,339 3.455,340 2.538,341 3.478,342 0.86,343 6.997,344 2.322,345 3.69,346 2.636,347 5.14,348 3.268,349 2.295,350 2.998,352 6.407,353 2.218,354 3.419,355 2.372,356 4.603,357 3.041,358 2.059,359 2.649,361 5.029,362 1.993,363 2.717,364 1.622,365 3.61,366 2.352,367 1.42,368 1.778,370 3.016,371 1.317,372 2.5,373 1.204,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.402,382 1,383 3.224,384 1.869,385 0.961,386 1.197,388 2.105,389 0.865,390 2.133,391 0.93,392 3,393 1.603,394 0.618,395 0.927,397 1.372,398 0.601,399 2.118,400 0.618,401 2.936,402 1.553,403 0.613,404 0.919,406 1.352,407 0.577,408 1.244,409 0.437,410 2.482,411 0.907,412 -0.03,413 -0.036,415 -0.07,416 -0.028,417 0.731,418 0.169,419 2,420 0.407,421 -0.543,422 -0.65,424 -1.258,425 -0.507,426 0.5,427 -0.295,428 1.918,429 0.013,430 -1,431 -1.187,433 -2,434 -0.936,435 0.494,436 -0.813,437 1.616,439 -1,440 -1.442,442 -2.76,443 -1,444 0.073,445 -1,446 1.096,447 -0.162,448 -1.09,449 -1.5,451 -3,452 -1.057,453 -0.062,454 -1.209,455 1,456 -0.379,457 -1.332,458 -1.663,460 -3.129,461 -1.289,462 8.8,463 0.463,464 0.349,465 0.018,466 25.75,467 1.355,468 13.5,469 0.711,470 12.25,471 0.645,472 10.53,473 0.554,474 20.6,475 0.624,476 16.665,477 0.877,478 5.549,479 0.292,480 3.688,481 0.194,482 0.076,484 0.216,487 0.854,488 1.396,489 0.755,490 1.141,491 0.744,492 0.964,493 0.904,494 1.011,495 0.974,496 0.998,497 0.459,498 0.984,499 1.06,500 0.905,501 1.155,502 1.024,503 0.835,504 1.1,505 0.835,506 1.085,507 1.056,508 1.181,509 0.708,510 1.178,511 0.758,512 0.97,513 0.823,514 1.021,515 0.562,516 0.954,517 1.254,518 0.91,519 0.961,520 0.864,521 1.248,522 0.852,523 1.163,524 1.037,525 1.097,526 0.996,527 1.254,528 1.027,529 0.229,530 1.112,531 0.904,532 1.103,533 0.314,534 1.142,535 3.5,536 0.02,537 1.333,538 0.347,539 0.507,540 0.427,541 0.208,542 0.134,543 0.103,544 0.067,545 3771,546 12731,547 2.025,548 42.4,550 10,551 1,552 2,553 1,558 1.592,559 1.932,560 3.332,561 -0.249,563 1,564 1,565 1,567 53.104,568 1.609,569 3.634,570 4.499,571 4.681,572 4.681,573 4.681,574 2.76,575 3.577,576 4.215,577 3.523,578 602.478,579 7.127,580 6393.27,581 1,582 1,584 1,585 166.465,586 1.19,587 4.196,588 0.175,589 0.003,590 0.053,591 0.017,592 0.03,593 0.025,594 0.013,595 0.01,596 0.009,597 0.008,598 0.344,599 0.5,600 1,601 1.236,602 85.976,603 -0.084,604 -0.253,605 0.027,606 -0.1,607 -0.096,608 -0.031,609 0.021,610 0.105,611 -0.103,612 -0.026,613 0.212,614 -0.073,615 -0.124,616 0.063,617 -0.213,618 -0.031,619 -0.102,620 -0.123,621 -0.058,622 -0.155,623 -0.112,624 -0.175,625 -0.069,626 -0.16,627 0.083,628 -0.063,629 0.178,630 -0.042,631 0.122,632 0.067,633 -0.166,634 0.011,635 0.055,636 0.098,637 -0.07,638 0.122,639 -0.194,640 -0.061,641 -0.144,642 -0.019,643 -0.205,644 -0.062,645 0.464,646 -0.144,647 0.044,648 -0.122,649 0.26,650 -0.13,651 2.624,652 3.375,653 0.579,654 18.277,655 1.015,656 1.125,657 1.503,658 2.258,659 0.665,660 3.045,661 3.258,662 3.367,663 3.497,664 3.555,665 3.497,666 3.497,667 3.555,668 3.555,669 3.434,670 6.202,671 0.647,672 258.3,673 3.045,674 4.511,675 5.283,676 6.089,677 6.878,678 7.686,679 8.482,680 9.29,681 10.091,682 10.899,683 6.1,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 33,726 13,727 1,728 20,730 34,731 14,733 9,734 2,735 4,736 3,739 2,740 2,753 12,754 2,756 2,761 1,763 2,765 1,768 1,769 1,772 14,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,822 2,830 1,832 2,840 19,845 1,846 2,848 1,862 9.1,864 1,865 1,867 1,869 9.833,870 5.683,871 4.333,872 1.778,874 2.261,875 1.375,876 0.92,877 4.754,878 8.294,879 3.35,880 3.845,881 4.299,882 4.736,883 5.028,884 5.101,885 5.307,886 5.57,887 5.758,888 5.731,889 0.857,890 20,891 6.941,893 2.788,894 8,895 12.926,897 9.806,899 2.5,900 47.5,904 153.024,905 99.608,906 18.685,908 78.828,911 99.608,912 231.852,913 18.685,915 6.698,916 65.905,917 117.684,918 30.375,919 11.771,920 117.711,922 153.024,923 118.293,924 78.828,927 153.024,928 78.828,931 26.263,932 56.291,933 35.738,935 153.024,936 97.513,937 99.608,940 153.024,941 16.037,942 85.47,944 95.614,945 153.024,946 97.513,947 99.608,949 0.557,950 0.289,951 0.143,952 0.073,953 10,954 4,955 0.176,956 6,958 1,959 3.363,960 120.247,962 11,963 76.711,968 13.369,969 6.757,970 4.6,972 95.614,973 12.596,974 3.946,978 1.581,979 1.934,980 42.683,981 350.145,982 27.5,987 10.375,989 2.645,991 -0.958,994 33.487,995 37.116,996 0.319,997 0.72,998 0.892,999 0.928,1000 0.928,1001 0.928,1002 4.508,1003 0.618,1004 5.198,1005 2.105,1006 3.932,1007 4.527,1008 1.888,1009 5.826,1010 3.839,1011 5.667,1012 0.613,1013 6.64,1014 1.372,1015 3.219,1016 3.98,1018 6.326,1019 3.088,1020 6.912,1021 -0.03,1022 8.169,1023 1.352,1024 5.352,1025 6.578,1026 2.362,1027 9.283,1028 5.174,1029 8.191,1030 -0.543,1031 9.748,1032 -0.07,1033 5.442,1034 6.872,1036 10.592,1037 5.216,1038 9.497,1039 -1,1040 11.359,1041 -1.258,1042 6.987,1043 8.852,1044 2.965,1045 12.98,1046 6.73,1047 10.821,1048 -1,1049 12.99,1050 -2,1051 7.46,1052 9.548,1054 14.628,1055 7.151,1056 12.157,1057 -1.09,1058 14.635,1059 -2.76,1060 8.731,1061 11.237,1062 3.635,1063 16.791,1064 8.4,1065 2.669,1066 -1.332,1067 16.289,1068 -3,1069 9.41,1070 12.156,1072 18.6,1073 9.028,1074 2.538,1075 7.404,1076 17.95,1077 -3.129,1078 10.54,1079 13.686,1080 4.335,1081 20.663,1082 10.14,1083 2.295,1084 6.997,1085 19.616,1086 3.676,1087 11.336,1088 14.739,1090 22.555,1091 10.891,1092 2.059,1093 6.407,1094 21.285,1095 3.478,1096 12.39,1097 16.178,1098 5.05,1099 24.572,1100 11.928,1101 1.42,1102 5.029,1103 22.958,1104 2.998,1105 13.255,1106 17.314,1108 26.506,1109 12.754,1110 1,1111 3.016,1112 24.632,1113 2.649,1114 14.267,1115 18.698,1116 5.77,1117 28.503,1118 13.75,1119 0.961,1120 2.275,1121 26.309,1122 1.778,1123 15.173,1124 19.887,1126 30.459,1127 14.623,1128 3783,1129 7038,1130 13.405,1131 21.943,1132 29.186,1133 29.029,1134 28.555,1135 28.383,1136 28.348,1137 38.244,1138 4.593,1139 71.916,1140 27.011,1141 4.94,1142 5.474,1143 5.155,1144 4.729,1145 4.669,1146 6.676,1147 2.873,1148 12.679,1149 4.613,1150 7.962,1151 1.459,1152 1.451,1153 1.428,1154 1.419,1155 1.417,1156 1.912,1157 0.23,1158 3.596,1159 1.351,1160 3.963,1161 4.011,1162 3.902,1163 3.874,1164 7.476,1165 3.873,1166 3.891,1167 3.933,1168 3.832,1169 3.699,1170 6.351,1171 3.727,1172 3.556,1173 3.563,1174 3.497,1175 3.383,1176 4.964,1177 3.402,1178 3.334,1179 3.389,1180 3.196,1181 3.126,1182 4.844,1183 3.129,1184 2.962,1185 2.977,1186 2.867,1187 2.735,1188 4.393,1189 2.762,1190 2.854,1191 2.925,1192 2.687,1193 2.726,1194 3.997,1195 2.715,1196 2.606,1197 2.676,1198 2.445,1199 2.332,1200 3.674,1201 2.339,1202 2.475,1203 2.566,1204 2.269,1205 2.249,1206 3.632,1207 2.261,1208 0.203,1209 0.174,1210 0.275,1211 0.182,1212 0.133,1213 4.07,1214 0.184,1215 3.474,1216 0.072,1217 5.497,1218 0.37,1219 3.645,1220 0.131,1221 2.669,1222 3.676,1223 1.437,1224 7.404,1225 2.613,1226 1.915,1227 1.895,1228 2.021,1229 2.008,1230 1.126,1231 2.012,1232 1.634,1233 1.57,1234 1.83,1235 1.867,1236 1.063,1237 1.859,1238 1.46,1239 1.44,1240 1.604,1241 1.664,1242 0.603,1243 1.634,1244 1.307,1245 1.242,1246 1.497,1247 1.527,1248 0.521,1249 1.519,1250 1.087,1251 1.025,1252 1.325,1253 1.375,1254 0.313,1255 1.365,1256 0.886,1257 0.821,1258 1.181,1259 1.119,1260 0.218,1261 1.107,1262 0.817,1263 0.798,1264 1.001,1265 1.062,1266 0.021,1267 1.087,1268 0.446,1269 0.396,1270 0.844,1271 0.783,1273 0.803,1274 3.714,1276 4.949,1277 2.398,1278 6.344,1279 4.443,1280 7.812,1281 6.26,1282 9.32,1289 8.517,1290 1.293,1292 5.571,1300 21.348,1301 53.104,1302 119.936,1303 148.465,1304 154.465,1305 154.465,1306 154.465,1307 26.847,1308 6.033,1309 64.35,1310 64.35,1311 11,1312 11.491,1313 3.807,1314 3.087,1315 34.078,1316 70,1317 59,1318 0.236,1319 135.362,1320 234.13,1321 322.043,1322 2938,1324 13.502,1325 0.711,1326 0.54,1327 13.502,1328 10.269,1329 9.237,1330 0.462,1331 0.292,1332 5.727,1333 8.776,1334 5.633,1335 4.682,1336 9.237,1337 5.835,1338 7.939,1339 0.318,1340 0.156,1341 7.939,1342 3.89,1343 5.818,1344 0.208,1345 0.088,1346 5.818,1347 2.476,1348 4.372,1349 0.137,1350 0.048,1351 4.372,1352 1.531,1353 3.121,1354 0.092,1355 0.026,1356 3.121,1357 0.891,1358 0.384,1359 58.598,1360 0.273,1361 19.896,1362 0.604,1363 90,1364 322.911,1365 101.496,1366 305.273,1367 401.04,1368 284,1369 98,1370 279.051,1371 108.06,1372 280.357,1373 397.02,1374 262,1375 6.602} {0 CHEMBL545366,1 1.533,2 8.933,3 1.75,4 3.063,5 59.021,6 6.719,7 0.333,8 3.491,9 3.623,10 2.938,11 2.94,12 4.605,13 2.91,14 4.003,15 4.208,16 3.137,17 3.26,18 5.181,19 3.175,20 4.221,21 4.5,22 2.856,23 3.294,24 5.057,25 3.118,26 4.17,27 4.467,28 2.77,29 3.206,30 4.931,31 3.024,32 4.076,33 4.361,34 2.696,35 3.088,36 4.933,37 2.924,38 3.941,39 4.222,40 2.6,41 2.943,42 4.851,43 2.794,44 3.762,45 4.028,46 2.492,47 2.774,48 4.748,49 2.645,50 3.571,51 3.832,52 2.366,53 2.551,54 4.646,55 2.453,56 0.023,57 0.428,58 7.079,59 2.689,60 7.462,61 3.881,62 0.21,63 0.628,64 12.486,65 4.166,66 35.922,67 6.274,68 0.171,69 0.651,70 15.826,71 5.289,72 30.996,73 8.054,74 0.162,75 0.603,76 15.105,77 4.914,78 27.916,79 7.618,80 0.186,81 0.536,82 13.904,83 4.256,84 32.003,85 6.58,86 0.175,87 0.465,88 12.195,89 3.574,90 29.812,91 5.563,92 0.151,93 0.388,94 10.18,95 2.926,96 26.981,97 4.519,98 0.144,99 0.312,100 8.487,101 2.211,102 25.121,103 3.472,104 13,105 17,106 0.298,107 0.651,108 0.84,109 0.899,110 0.899,111 0.899,112 2.787,113 1.028,114 -2.68,115 -2.7,116 -2.63,118 35.5,120 4,124 1,133 2,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 2,175 1,177 1,180 4,181 1,186 2,191 1,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,230 1,234 3,239 1,247 1,248 1,258 1,259 1,262 1,270 241,271 10.088,272 10.088,273 10.088,274 10.088,275 10.088,276 9.077,277 9.446,278 6.652,279 10.278,280 7.449,281 7.449,282 7.449,283 7.449,284 7.449,285 5.963,286 4.822,287 3.241,288 7.742,289 3.421,290 1.599,291 0.629,292 0.323,293 0.323,294 0.323,295 3.415,299 1,300 1,301 265,302 3.24,305 49.418,313 1.547,314 12.991,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 33,326 134,327 3.92,328 3.474,329 5.352,330 3.458,331 2.542,332 3.479,333 1.437,334 6.997,335 2.329,336 3.665,337 2.647,338 4.659,339 3.241,340 2.235,341 2.911,343 5.184,344 2.222,345 2.911,346 2.021,347 3.822,348 2.779,349 1.784,350 1.918,352 3.61,353 1.772,354 2.723,355 1.571,356 3.509,357 2.366,358 1.395,359 1.74,361 2.888,362 1.35,363 2.442,364 1.216,365 3.162,366 2.031,367 1.072,368 1.349,370 2.232,371 1.022,372 2.118,373 0.715,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.827,382 0.618,383 2.652,384 1.511,385 0.526,386 0.641,388 1.09,389 0.515,390 1.064,391 0.443,392 2.131,393 0.85,394 -0.136,395 -0.158,397 -0.292,398 -0.133,399 0.519,400 0.013,401 1.605,402 0.224,403 -0.763,404 -0.814,406 -1.699,407 -0.73,408 0.305,409 -0.527,410 1.059,411 -0.015,412 -1,413 -1.3,415 -2,416 -0.972,417 -0.061,418 -1.124,419 1,420 -0.294,421 -1.253,422 -1.488,424 -2.746,425 -1.221,426 -0.118,427 -1.503,428 1,429 -0.61,430 -1.583,431 -1.806,433 -3.358,434 -1.472,435 -0.313,436 -1.618,437 0.546,438 -0.705,439 -1.618,440 -2.387,442 -4.156,443 -1.546,444 -0.603,445 -1.712,446 0.37,447 -0.865,448 -1.838,449 -2.427,451 -4.372,452 -1.773,453 -0.898,454 -1.892,455 0.133,456 -1.024,457 -1.982,458 -2.585,459 -1.437,460 -4.75,461 -1.94,462 6.967,463 0.464,464 0.212,465 0.014,466 16.25,467 1.083,468 7,469 0.467,470 9.25,471 0.617,472 10.145,473 0.676,474 17.633,475 0.569,476 9.035,477 0.602,478 3.252,479 0.217,480 4.036,481 0.269,482 0.096,484 0.129,487 0.82,488 1.628,489 0.913,490 1.334,491 0.701,492 1.169,493 0.586,494 1.202,495 1.043,496 1.212,497 0.341,498 1.194,499 0.683,500 0.997,501 0.985,502 1.073,503 0.636,504 1.083,505 0.598,506 0.929,507 0.884,508 0.985,509 0.561,510 0.984,511 0.895,512 0.912,513 0.981,514 0.951,515 0.893,516 0.978,517 1.023,518 0.907,519 1.007,520 0.924,521 1.025,522 0.956,523 1.177,524 0.96,525 1.051,526 0.953,527 1.22,528 0.977,529 1.431,530 0.909,531 1.057,532 0.847,533 1.475,534 0.879,535 2,536 0.046,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.072,543 0.031,544 0.065,545 1918,546 6161,547 1.925,548 51.6,549 6,550 4,551 1,552 2,553 1,555 2,558 1.514,559 1.837,560 3.175,561 -0.2,563 1,565 1,567 47.526,568 1.533,569 3.355,570 4.325,571 4.632,572 4.632,573 4.632,574 2.523,575 3.107,576 3.881,577 3.347,578 351.413,579 6.424,580 3231.47,582 1,585 153.58,586 1.103,587 3.857,588 0.133,589 0.008,590 0.039,591 0.029,592 0.019,593 0.014,594 0.011,595 0.009,596 0.004,597 0.011,598 0.276,599 0.67,600 1,601 2.732,602 62.811,603 -0.063,604 -0.312,605 0.008,606 -0.115,607 -0.033,608 -0.057,609 0.17,610 -0.022,611 -0.11,612 -0.149,613 0.283,614 -0.172,615 -0.034,616 -0.056,617 -0.073,618 -0.076,619 0.001,620 -0.08,621 0.009,622 -0.021,623 0.027,624 -0.015,625 -0.001,626 0.008,627 -0.078,628 -0.008,629 -0.038,630 -0.002,631 -0.086,632 -0.01,633 -0.111,634 -0.002,635 -0.047,636 0.008,637 -0.121,638 -0.004,639 -0.147,640 -0.044,641 -0.074,642 -0.019,643 -0.163,644 -0.031,645 -0.203,646 -0.005,647 -0.044,648 0.047,649 -0.207,650 0.034,651 2.534,652 3.147,653 0.333,654 11.271,655 1.001,656 1.139,657 1.454,658 2.114,659 0.621,660 2.773,661 2.89,662 2.89,663 2.944,664 2.708,665 2.639,666 2.565,667 2.485,668 2.398,669 2.398,670 5.649,671 0.586,672 208.29,673 2.773,674 4.174,675 4.89,676 5.645,677 6.378,678 7.138,679 7.88,680 8.642,681 9.389,682 10.153,683 6.5,691 1,693 1,699 3,700 1,705 1,706 5,724 31,726 7,728 15,730 31,731 11,733 3,736 3,739 1,740 1,751 4,753 6,754 5,756 2,761 1,763 2,765 1,769 1,772 16,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 2,830 1,832 1,840 15,845 1,846 5,862 6.5,864 1,865 1,869 8.167,870 5.183,871 3.583,872 1.931,874 1.199,875 1.233,876 0.875,877 5.597,878 6.34,879 3.02,880 3.376,881 3.673,882 3.981,883 3.621,884 3.594,885 3.566,886 3.594,887 3.66,888 3.944,889 0.833,890 12,891 5.5,892 -0.001,893 2.112,894 7.978,895 10.463,897 7.795,898 -0.001,899 2.478,900 37.167,901 0.003,904 176.567,905 58.82,906 18.685,908 67.828,911 58.82,912 244.395,913 18.685,915 12.244,916 28,917 117.684,918 10.947,919 11.771,920 141.253,922 176.567,923 77.504,924 67.828,927 153.024,928 91.37,931 31.809,932 9.957,933 35.738,935 176.567,936 86.513,937 58.82,940 176.567,941 13.154,942 47.565,944 84.614,945 176.567,946 86.513,947 58.82,949 0.532,950 0.26,951 0.126,952 0.051,953 5,954 2,955 0.226,956 7,958 1,959 2.962,960 76.457,962 5,963 58.603,968 11.826,969 7.099,970 5.942,972 84.614,973 5.532,974 3.956,979 2.049,980 42.683,981 321.899,982 19.5,987 10.147,989 2.912,991 -0.867,994 31.043,995 35.322,996 0.309,997 0.677,998 0.873,999 0.935,1000 0.935,1001 0.935,1002 4.131,1003 -0.136,1004 4.745,1005 1.09,1006 3.555,1007 4.052,1008 1.635,1009 5.252,1010 3.479,1011 5.225,1012 -0.763,1013 6.107,1014 -0.292,1015 2.565,1016 3.277,1018 5.46,1019 2.41,1020 6.419,1021 -1,1022 7.56,1023 -1.699,1024 4.844,1025 5.932,1026 2.253,1027 8.47,1028 4.674,1029 7.648,1030 -1.253,1031 9.069,1032 -2,1033 4.71,1034 6.129,1036 9.649,1037 4.411,1038 8.911,1039 -1.583,1040 10.619,1041 -2.746,1042 6.354,1043 8.072,1044 2.922,1045 12.016,1046 6.068,1047 10.195,1048 -1.618,1049 12.198,1050 -3.358,1051 6.666,1052 8.747,1054 13.616,1055 6.224,1056 11.496,1057 -1.838,1058 13.799,1059 -4.156,1060 7.99,1061 10.351,1062 3.619,1063 15.733,1064 7.565,1065 2.542,1066 -1.982,1067 15.415,1068 -4.372,1069 8.552,1070 11.28,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.044,1077 -4.75,1078 9.703,1079 12.71,1080 4.33,1081 19.539,1082 9.122,1083 1.784,1084 5.184,1085 18.681,1086 3.479,1087 10.412,1088 13.779,1090 21.415,1091 9.668,1092 1.395,1093 3.61,1094 20.326,1095 2.911,1096 11.465,1097 15.118,1098 5.047,1099 23.389,1100 10.715,1101 1.072,1102 2.888,1103 21.976,1104 1.918,1105 12.261,1106 16.265,1108 25.303,1109 11.357,1110 0.618,1111 2.232,1112 23.63,1113 1.74,1114 13.26,1115 17.557,1116 5.769,1117 27.259,1118 12.333,1119 0.526,1120 1.372,1121 25.288,1122 1.349,1123 14.107,1124 18.748,1126 29.19,1127 13.036,1128 2036,1129 3720,1130 9.822,1131 19.25,1132 21.011,1133 20.779,1134 20.581,1135 20.346,1136 20.347,1137 25.93,1138 2.873,1139 46.746,1140 19.576,1141 4.818,1142 5.366,1143 5.22,1144 4.482,1145 4.524,1146 6.064,1147 2.873,1148 11.747,1149 4.268,1150 6.767,1151 1.401,1152 1.385,1153 1.372,1154 1.356,1155 1.356,1156 1.729,1157 0.192,1158 3.116,1159 1.305,1160 3.939,1161 4.009,1162 3.868,1163 3.747,1164 7.476,1165 3.764,1166 3.75,1167 3.798,1168 3.643,1169 3.612,1170 6.351,1171 3.614,1172 3.523,1173 3.564,1174 3.398,1175 3.359,1176 4.953,1177 3.358,1178 3.211,1179 3.263,1180 3.054,1181 2.985,1182 4.309,1183 2.991,1184 2.864,1185 2.932,1186 2.676,1187 2.586,1188 4.004,1189 2.602,1190 2.54,1191 2.64,1192 2.3,1193 2.31,1194 3.619,1195 2.297,1196 2.454,1197 2.56,1198 2.23,1199 2.184,1200 3.344,1201 2.181,1202 2.213,1203 2.354,1204 1.903,1205 1.868,1206 3.177,1207 1.855,1208 0.261,1209 0.232,1210 0.357,1211 0.231,1212 0.169,1213 3.92,1214 0.232,1215 3.474,1216 0.096,1217 5.352,1218 0.466,1219 3.458,1220 0.155,1221 2.542,1222 3.479,1223 1.437,1224 6.997,1225 2.329,1226 1.796,1227 1.74,1228 2.023,1229 1.965,1230 1.356,1231 1.985,1232 1.625,1233 1.573,1234 1.822,1235 1.822,1236 1.052,1237 1.823,1238 1.392,1239 1.339,1240 1.594,1241 1.616,1242 0.713,1243 1.607,1244 1.288,1245 1.22,1246 1.475,1247 1.525,1248 0.488,1249 1.513,1250 1.058,1251 0.997,1252 1.324,1253 1.345,1254 0.347,1255 1.341,1256 0.723,1257 0.657,1258 1.085,1259 1.055,1260 0.181,1261 1.069,1262 0.43,1263 0.326,1264 0.867,1265 0.797,1267 0.841,1268 0.166,1269 0.008,1270 0.738,1271 0.571,1273 0.644,1274 3.434,1276 4.595,1277 2.398,1278 5.889,1279 4.443,1280 7.246,1281 6.26,1282 8.643,1289 8.344,1290 5.094,1300 18.16,1301 47.526,1302 103.996,1303 134.07,1304 143.58,1305 143.58,1306 143.58,1307 24.471,1308 5.142,1309 55.12,1310 55.12,1311 5,1312 10.785,1313 3,1314 2.459,1315 31.761,1316 51,1317 38,1318 0.299,1319 118.764,1320 204.62,1321 281.545,1322 894,1324 10.933,1325 0.729,1326 0.578,1327 10.933,1328 8.672,1329 7.288,1330 0.486,1331 0.343,1332 5.066,1333 6.962,1334 4.982,1335 4.194,1336 7.288,1337 5.14,1338 5.889,1339 0.346,1340 0.199,1341 5.889,1342 3.39,1343 3.869,1344 0.228,1345 0.124,1346 3.869,1347 2.107,1348 2.815,1349 0.156,1350 0.074,1351 2.815,1352 1.336,1353 1.559,1354 0.111,1355 0.053,1356 1.559,1357 0.738,1358 0.497,1359 45.993,1360 0.319,1361 16.328,1362 0.738,1363 64,1364 219.175,1365 71.953,1366 208.58,1367 265.92,1368 192,1369 66,1370 177.596,1371 72.682,1372 178.835,1373 248.42,1374 166,1375 7.155} {0 CHEMBL545367,1 1.434,2 9.059,3 2.653,4 7.037,5 66.928,6 6.112,7 0.294,8 3.701,9 3.844,10 3.062,11 3.144,12 4.717,13 3.088,14 4.272,15 4.497,16 3.353,17 3.537,18 5.268,19 3.434,20 4.559,21 4.813,22 3.275,23 3.672,24 5.448,25 3.503,26 4.73,27 5.032,28 3.029,29 3.599,30 5.605,31 3.393,32 4.468,33 4.789,34 2.879,35 3.417,36 5.173,37 3.201,38 4.298,39 4.602,40 2.797,41 3.278,42 5.064,43 3.083,44 4.178,45 4.478,46 2.71,47 3.154,48 4.982,49 2.97,50 4.042,51 4.334,52 2.637,53 2.988,54 4.903,55 2.821,56 0.038,57 0.527,58 9.566,59 3.622,60 8.253,61 5.321,62 0.244,63 0.809,64 16.814,65 5.888,66 39.277,67 8.834,68 0.144,69 0.925,70 21.797,71 7.72,72 27.917,73 11.549,74 0.436,75 0.885,76 26.026,77 7.591,78 68.96,79 11.719,80 0.219,81 0.736,82 19.434,83 6.257,84 31.896,85 9.754,86 0.192,87 0.637,88 16.553,89 5.25,90 28.23,91 8.173,92 0.18,93 0.562,94 14.756,95 4.541,96 26.717,97 7.111,98 0.155,99 0.489,100 12.98,101 3.702,102 24.815,103 5.977,104 25,105 22,106 0.265,107 0.534,108 0.705,109 0.792,110 0.837,111 0.837,112 2.903,113 1.097,114 -3.33,115 -3.31,116 -3.17,118 33.3,119 2,120 5,122 1,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 2,175 1,177 1,180 7,181 3,186 4,191 3,194 5,195 1,198 3,203 1,206 4,207 1,210 3,215 1,218 3,219 1,222 3,227 1,229 2,230 1,234 3,239 1,247 3,248 1,258 1,259 1,262 1,270 318,271 10.905,272 10.905,273 10.905,274 10.905,275 10.905,276 10.115,277 10.311,278 6.688,279 11.095,280 8.361,281 8.361,282 8.361,283 8.361,284 8.361,285 7.22,286 10.148,287 3.154,288 8.653,289 3.852,290 2.395,291 1.474,292 1.001,293 0.757,294 0.757,295 3.527,299 1,300 1,301 303,302 3.937,305 58.054,313 1.467,314 15.804,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 37,326 154,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.522,333 2.341,334 11.924,335 3.327,336 3.92,337 2.647,338 5.352,339 3.458,340 2.542,341 3.478,343 6.997,344 2.328,345 2.904,346 2.576,347 4.404,348 2.78,349 1.784,350 1.907,352 3.714,353 1.773,354 2.779,355 1.76,356 3.781,357 2.455,358 1.459,359 1.789,361 3.279,362 1.432,363 2.567,364 1.384,365 3.466,366 2.237,367 1.272,368 1.559,370 2.727,371 1.218,372 2.118,373 0.966,374 3.13,375 1.885,376 0.915,377 1.009,379 1.945,380 0.883,381 2.047,382 0.618,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 1.311,391 0.462,392 2.714,393 1.22,394 0.237,395 0.25,397 0.519,398 0.232,399 0.568,400 0.249,401 2.162,402 0.467,403 -0.507,404 -0.533,406 -1.175,407 -0.492,408 0.447,409 -0.442,410 2,412 -1,413 -1,415 -2,416 -0.961,417 0.039,418 -0.961,419 2,421 -1,422 -1.186,424 -2.599,425 -1,427 -1,428 1.464,429 -0.155,430 -1.119,431 -1.289,433 -3,434 -1.077,435 -0.118,436 -1.045,437 1,438 -0.5,439 -1.476,440 -1.621,442 -3.294,443 -1.44,444 -0.294,445 -1.517,446 1,447 -0.63,448 -1.609,449 -1.828,451 -4.372,452 -1.484,453 -0.513,454 -1.618,455 0.748,456 -0.705,457 -1.618,458 -1.973,460 -4.711,461 -1.596,462 7.967,463 0.469,464 0.478,465 0.028,466 15.75,467 0.926,468 5.5,469 0.324,470 10.25,471 0.603,472 16.272,473 0.957,474 20.833,475 0.534,476 8.541,477 0.502,478 2.629,479 0.155,480 5.393,481 0.317,482 0.209,483 0.063,484 0.113,487 0.811,488 1.681,489 1.02,490 1.433,491 0.719,492 1.283,493 0.54,494 1.122,495 0.957,496 1.116,497 0.36,498 1.089,499 0.704,500 1.311,501 1.08,502 1.394,503 0.681,504 1.307,505 1.463,506 0.781,507 1.104,508 0.827,509 1.598,510 0.915,511 0.725,512 0.856,513 0.861,514 0.89,515 0.716,516 0.896,517 0.859,518 0.921,519 0.942,520 0.946,521 0.855,522 0.955,523 0.965,524 0.926,525 0.967,526 0.936,527 0.967,528 0.949,529 1.067,530 1.128,531 0.978,532 1.02,533 1.106,534 0.993,535 4,536 0.086,537 2,538 0.597,539 0.365,540 0.247,541 0.178,542 0.103,543 0.13,544 0.135,545 2536,546 6722,547 1.856,548 56.4,549 14,550 2,551 1,552 2,553 1,555 2,558 1.556,559 1.714,560 3.153,561 -0.256,563 1,565 1,567 55.917,568 1.434,569 2.89,570 3.811,571 4.285,572 4.529,573 4.529,574 2.463,575 3.264,576 4.065,577 3.352,578 455.876,579 6.806,580 4553.42,582 1,584 1,585 206.131,586 1.545,587 3.984,588 0.235,589 0.009,590 0.091,591 0.033,592 0.028,593 0.021,594 0.016,595 0.01,596 0.014,597 0.014,598 0.471,599 0.67,600 1,601 2.655,602 73.949,603 -0.038,604 -0.27,605 0.011,606 -0.102,607 -0.033,608 -0.052,609 0.192,610 0.095,611 0.031,612 0.02,613 0.239,614 0.007,615 0.001,616 -0.25,617 -0.14,618 -0.302,619 0.044,620 -0.247,621 -0.204,622 0.049,623 -0.119,624 0.065,625 -0.208,626 -0.009,627 -0.012,628 0.022,629 0.049,630 0.045,631 -0.021,632 0.055,633 -0.051,634 -0.006,635 -0.009,636 0.005,637 -0.058,638 0.005,639 -0.073,640 -0.007,641 -0.018,642 0.005,643 -0.083,644 0.003,645 -0.064,646 -0.209,647 -0.008,648 -0.095,649 -0.106,650 -0.053,651 2.365,652 3.886,653 0.294,654 12.429,655 0.992,656 1.143,657 2.097,658 4.398,659 0.603,660 2.89,661 3.135,662 3.178,663 3.045,664 2.833,665 2.773,666 2.708,667 2.639,668 2.708,669 2.708,670 5.772,671 0.557,672 238.37,673 2.89,674 4.369,675 5.13,676 5.938,677 6.72,678 7.527,679 8.316,680 9.122,681 9.913,682 10.72,683 5.1,691 1,693 1,699 3,700 1,705 1,706 5,724 39,726 6,728 17,730 39,731 13,733 3,739 1,740 1,745 2,746 1,751 5,753 4,754 9,756 1,761 1,765 1,769 1,772 22,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,836 2,840 17,845 1,846 6,852 1,862 5.1,864 1,865 1,869 9.917,870 7.267,871 3.875,872 2.507,874 0.829,875 1.155,876 0.852,877 5.528,878 6.186,879 3.068,880 3.474,881 3.747,882 3.923,883 3.537,884 3.508,885 3.477,886 3.446,887 3.537,888 3.698,889 0.833,890 18,891 6.302,893 2.502,894 7.848,895 12.174,897 9.524,899 2.348,900 39.917,901 0.002,904 247.193,905 60.052,906 18.685,908 67.828,911 60.052,912 315.021,913 18.685,914 17.65,915 14.778,916 9.047,917 117.684,918 10.947,919 11.771,920 211.88,922 247.193,923 78.737,924 67.828,927 223.651,928 91.37,931 51.994,932 9.957,933 16.786,935 247.193,936 86.513,937 60.052,940 247.193,941 15.688,942 46.263,944 84.614,945 247.193,946 86.513,947 60.052,949 0.572,950 0.309,951 0.116,952 0.044,953 8,954 4,955 0.205,956 8,958 1,959 3.014,960 96.619,962 5,963 67.487,968 14.075,969 6.677,970 5.246,972 84.614,973 5.58,974 3.987,979 2.071,980 42.683,981 393.758,982 20.5,987 10.886,991 -0.698,994 38.694,995 44.567,996 0.271,997 0.547,998 0.721,999 0.811,1000 0.857,1001 0.857,1002 4.266,1003 0.237,1004 5.142,1005 1.372,1006 3.807,1007 4.151,1008 2.258,1009 5.911,1010 3.748,1011 5.433,1012 -0.507,1013 6.708,1014 0.519,1015 3.611,1016 3.922,1017 2.243,1018 7.306,1019 3.559,1020 6.722,1021 -1,1022 8.42,1023 -1.175,1024 5.451,1025 6.111,1026 3.628,1027 10.183,1028 5.362,1029 8.056,1030 -1,1031 10.224,1032 -2,1033 6.133,1034 6.732,1035 4.112,1036 12.388,1037 6.067,1038 9.431,1039 -1.119,1040 12.088,1041 -2.599,1042 7.514,1043 8.39,1044 5.201,1045 14.949,1046 7.43,1047 10.831,1048 -1.476,1049 13.99,1050 -3,1051 8.525,1052 9.356,1053 5.889,1054 17.355,1055 8.464,1056 12.251,1057 -1.609,1058 15.916,1059 -3.294,1060 9.771,1061 10.801,1062 6.849,1063 19.852,1064 9.705,1065 3.331,1066 -1.618,1067 17.857,1068 -4.372,1069 10.9,1070 11.917,1071 7.625,1072 22.31,1073 10.849,1074 2.542,1075 11.924,1076 19.809,1077 -4.711,1078 12.108,1079 13.264,1080 8.526,1081 24.793,1082 12.059,1083 1.784,1084 6.997,1085 21.767,1086 3.522,1087 13.28,1088 14.449,1089 9.342,1090 27.265,1091 13.24,1092 1.459,1093 3.714,1094 23.73,1095 3.478,1096 14.48,1097 15.751,1098 10.216,1099 29.745,1100 14.443,1101 1.272,1102 3.279,1103 25.697,1104 1.907,1105 15.669,1106 16.969,1107 11.051,1108 32.222,1109 15.637,1110 0.915,1111 2.727,1112 27.666,1113 1.789,1114 16.868,1115 18.247,1116 11.912,1117 34.701,1118 16.838,1119 0.618,1120 1.945,1121 29.636,1122 1.559,1123 18.064,1124 19.483,1125 12.755,1126 37.178,1127 18.037,1128 2696,1129 4450,1130 10.515,1131 23.534,1132 24.812,1133 24.697,1134 24.693,1135 24.309,1136 24.317,1137 28.884,1138 4.682,1139 64.954,1140 23.542,1141 5.353,1142 5.914,1143 7.022,1144 5.357,1145 5.317,1146 6.107,1147 3.925,1148 18.454,1149 5.274,1150 9.827,1151 1.46,1152 1.453,1153 1.453,1154 1.43,1155 1.43,1156 1.699,1157 0.275,1158 3.821,1159 1.385,1160 3.944,1161 4.012,1162 3.87,1163 3.766,1164 7.473,1165 3.774,1166 3.831,1167 3.877,1168 3.726,1169 3.68,1170 6.351,1171 3.69,1172 3.599,1173 3.66,1174 3.447,1175 3.452,1176 4.953,1177 3.443,1178 3.262,1179 3.34,1180 3.082,1181 3.085,1182 4.243,1183 3.068,1184 3.033,1185 3.047,1186 2.872,1187 2.639,1188 4.054,1189 2.705,1190 2.874,1191 3.009,1192 2.583,1193 2.63,1194 3.753,1195 2.601,1196 2.848,1197 2.96,1198 2.499,1199 2.618,1200 3.467,1201 2.57,1202 2.503,1203 2.616,1204 2.269,1205 2.304,1206 3.413,1207 2.283,1208 0.259,1209 0.234,1210 0.424,1211 0.255,1212 0.196,1213 4.406,1214 0.207,1215 3.979,1216 0.138,1217 7.206,1218 0.701,1219 4.332,1220 0.196,1221 3.331,1222 3.522,1223 2.341,1224 11.924,1225 3.327,1226 1.84,1227 1.791,1228 2.06,1229 1.996,1230 1.411,1231 2.019,1232 1.708,1233 1.649,1234 1.932,1235 1.903,1236 1.227,1237 1.912,1238 1.481,1239 1.413,1240 1.724,1241 1.698,1242 0.958,1243 1.711,1244 1.304,1245 1.236,1246 1.519,1247 1.526,1248 0.668,1249 1.519,1250 1.152,1251 1.067,1252 1.426,1253 1.398,1254 0.469,1255 1.426,1256 0.934,1257 0.817,1258 1.417,1259 1.276,1260 0.459,1261 1.308,1262 0.837,1263 0.804,1264 1.207,1265 1.239,1266 0.312,1267 1.208,1268 0.78,1269 0.68,1270 1.033,1271 1.064,1272 0.13,1273 1.116,1274 3.555,1276 4.812,1277 2.398,1278 6.232,1279 4.443,1280 7.726,1281 6.26,1282 9.259,1284 3.585,1289 8.959,1290 6.127,1296 -0.579,1300 21.74,1301 55.917,1302 112.708,1303 148.647,1304 167.111,1305 176.621,1306 176.621,1307 41.991,1308 5.357,1309 55.12,1310 55.12,1311 5,1312 11.315,1313 2.807,1314 2.17,1315 38.692,1316 60,1317 40,1318 0.315,1319 140.876,1320 241.86,1321 335.498,1322 1152,1324 12.726,1325 0.749,1326 0.631,1327 12.726,1328 10.725,1329 8.022,1330 0.472,1331 0.366,1332 6.139,1333 7.707,1334 5.904,1335 5.009,1336 8.022,1337 6.214,1338 7.247,1339 0.329,1340 0.234,1341 7.247,1342 5.154,1343 5.221,1344 0.227,1345 0.135,1346 5.221,1347 3.106,1348 2.955,1349 0.148,1350 0.087,1351 2.955,1352 1.741,1353 1.658,1354 0.104,1355 0.064,1356 1.658,1357 1.024,1358 0.517,1359 50.397,1360 0.308,1361 18.023,1362 0.795,1363 78,1364 223.175,1365 85.953,1366 213.9,1367 274.3,1368 196,1369 84,1370 186.596,1371 92.011,1372 190.787,1373 266.24,1374 175,1375 7.523} {0 CHEMBL545599,1 1.436,2 10.476,3 3.268,4 10.68,5 82.522,6 6.661,7 0.5,8 3.817,9 3.945,10 3.272,11 3.339,12 4.878,13 3.294,14 4.356,15 4.548,16 3.53,17 3.717,18 5.405,19 3.622,20 4.643,21 4.901,22 3.454,23 3.823,24 5.476,25 3.67,26 4.677,27 4.941,28 3.445,29 3.784,30 5.591,31 3.635,32 4.661,33 4.923,34 3.382,35 3.714,36 5.642,37 3.57,38 4.569,39 4.842,40 3.196,41 3.596,42 5.497,43 3.433,44 4.407,45 4.689,46 2.997,47 3.449,48 5.247,49 3.272,50 4.239,51 4.516,52 2.917,53 3.306,54 5.089,55 3.142,56 0.036,57 0.595,58 9.798,59 4.111,60 8.4,61 5.694,62 0.23,63 0.948,64 17.476,65 6.749,66 38.298,67 9.654,68 0.186,69 1.104,70 23.786,71 9.07,72 30.769,73 13.037,74 0.218,75 1.095,76 24.926,77 9.04,78 41.674,79 13.001,80 0.282,81 1.04,82 24.933,83 8.533,84 53.15,85 12.184,86 0.273,87 0.939,88 22.784,89 7.7,90 48.831,91 11.118,92 0.224,93 0.81,94 19.239,95 6.578,96 37.384,97 9.641,98 0.168,99 0.702,100 16.15,101 5.514,102 28.549,103 8.152,104 6,105 27,106 0.254,107 0.567,108 0.719,109 0.826,110 0.877,111 0.877,112 3.101,113 1.024,114 -4.08,115 -4.03,116 -3.81,118 39.5,120 5,121 1,124 1,140 5,141 1,143 1,149 1,154 1,156 1,163 1,167 1,168 12,169 1,171 1,172 2,175 1,177 1,180 13,181 2,186 3,191 2,194 11,195 3,198 5,203 3,206 8,207 3,210 5,215 3,218 7,219 2,222 4,227 2,229 6,230 1,234 3,239 1,242 5,247 2,248 1,255 3,258 1,259 3,262 1,267 1,270 613,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.833,277 11.118,278 9.122,279 14.554,280 10.895,281 10.895,282 10.895,283 10.895,284 10.895,285 8.729,286 10.147,287 4.356,288 11.187,289 3.991,290 2.217,291 1.357,292 0.75,293 0.465,294 0.465,295 3.765,298 1,299 1,300 1,301 458,302 3.606,305 72.297,306 82.022,313 1.551,314 17.587,315 1,316 1,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 45,326 220,327 4.179,328 3.802,329 6.401,330 3.951,331 2.95,332 3.611,333 2.397,334 9.732,335 2.947,336 3.92,337 2.765,338 5.352,339 3.458,340 2.542,341 3.479,342 0.242,343 6.997,344 2.328,345 3.525,346 2.646,347 4.93,348 3.099,349 2.096,350 2.817,352 5.41,353 2.091,354 2.906,355 1.879,356 3.898,357 2.779,358 1.784,359 2.01,361 3.65,362 1.772,363 2.832,364 1.701,365 3.71,366 2.448,367 1.451,368 1.879,370 3.117,371 1.436,372 2.636,373 1.407,374 3.536,375 2.326,376 1.353,377 1.663,379 2.872,380 1.316,381 2.5,382 1.148,383 3.314,384 2.028,385 1.065,386 1.5,388 2.331,389 1.021,390 2.288,391 1,392 3.247,393 2,394 1,395 1.242,397 2.136,398 1,399 2.118,400 0.839,401 3,402 1.601,403 0.618,404 0.927,406 1.381,407 0.601,408 1.807,409 0.618,410 2.927,411 1.553,412 0.612,413 0.696,415 1.372,416 0.577,417 1.194,418 0.436,419 2.5,420 1.04,421 0.053,422 0.058,424 0.117,425 0.052,426 0.674,427 0.154,428 2.05,429 0.425,430 -0.556,431 -0.615,433 -1.253,434 -0.542,435 0.503,436 -0.439,437 1.749,438 0.122,439 -0.878,440 -1.088,442 -1.946,443 -0.857,444 0.5,445 -0.667,446 1.555,448 -1,449 -1.267,451 -2,452 -0.973,453 0.322,454 -1,455 1.353,456 -0.015,457 -1,458 -1.479,460 -2.347,461 -1,462 9.967,463 0.475,464 0.315,465 0.015,466 24.25,467 1.155,468 11.5,469 0.548,470 12.75,471 0.607,472 16.796,473 0.8,474 23.633,475 0.55,476 14.929,477 0.711,478 4.601,479 0.219,480 5.67,481 0.27,482 0.067,484 0.191,487 0.794,488 1.396,489 0.914,490 1.19,491 0.685,492 1.088,493 0.57,494 1.138,495 1.048,496 1.159,497 0.403,498 1.156,499 0.75,500 0.999,501 0.973,502 1.063,503 0.769,504 1.052,505 0.934,506 0.989,507 0.964,508 1.045,509 0.945,510 1.016,511 1.301,512 0.947,513 1.048,514 0.995,515 1.373,516 0.994,517 1.276,518 0.918,519 1.069,520 0.964,521 1.35,522 0.991,523 1.093,524 0.892,525 1.042,526 0.931,527 1.138,528 0.975,529 1.001,530 0.999,531 1.011,532 0.987,533 1.033,534 1,535 2.5,536 0.08,537 1.556,538 1.035,539 0.556,540 0.344,541 0.237,542 0.084,543 0.064,544 0.121,545 4937,546 12712,547 2.023,548 51.2,549 8,550 7,551 1,552 2,553 1,554 1,555 2,558 1.624,559 1.938,560 3.336,561 -0.338,562 1,563 1,565 1,567 61.735,568 1.436,569 3.209,570 4.07,571 4.676,572 4.961,573 4.961,574 2.72,575 3.594,576 4.366,577 3.543,578 743.962,579 7.441,580 8608.93,582 1,584 1,585 233.329,586 1.125,587 4.345,588 0.114,589 0.005,590 0.058,591 0.043,592 0.024,593 0.016,594 0.014,595 0.006,596 0.005,597 0.009,598 0.294,599 0.67,600 1,601 0.741,602 98.363,603 -0.038,604 -0.161,605 0.025,606 -0.035,607 -0.015,608 -0.006,609 0.165,610 0.014,611 -0.104,612 -0.097,613 0.202,614 -0.128,615 -0.024,616 -0.028,617 -0.033,618 -0.049,619 -0.025,620 -0.041,621 -0.025,622 -0.052,624 -0.059,625 0.01,626 -0.029,627 -0.109,628 -0.031,629 -0.05,630 -0.035,631 -0.078,632 -0.034,633 -0.127,634 -0.015,635 -0.075,636 -0.017,637 -0.12,638 -0.036,639 -0.112,640 0.019,641 -0.065,642 0.017,643 -0.131,644 -0.013,645 -0.074,646 -0.066,647 -0.04,648 -0.033,649 -0.113,650 -0.033,651 2.389,652 4.365,653 0.524,654 18.009,655 0.993,656 1.129,657 2.851,658 8.127,659 0.64,660 3.135,661 3.332,662 3.497,663 3.638,664 3.584,665 3.434,666 3.401,667 3.296,668 3.135,669 3.219,670 6.435,671 0.599,672 286.41,673 3.135,674 4.595,675 5.38,676 6.188,677 6.989,678 7.803,679 8.61,680 9.426,681 10.236,682 11.053,683 4.7,691 1,693 1,699 8,700 1,704 1,705 1,706 11,724 43,726 12,727 1,728 22,730 44,731 17,733 9,734 1,735 5,739 2,740 2,751 5,753 10,754 7,755 1,756 1,761 1,765 1,768 1,769 1,772 22,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,840 21,845 1,846 6,850 1,862 4.7,864 1,865 1,869 10.833,870 7.267,871 4.889,872 2.764,874 1.575,875 1.261,876 0.913,877 6.326,878 7.606,879 3.384,880 3.823,881 4.236,882 4.679,883 4.817,884 4.628,885 4.758,886 4.749,887 4.262,888 4.4,889 0.857,890 24,891 7.783,893 3.167,894 7.77,895 15.042,897 11.98,899 2.27,900 47.667,901 0.001,904 247.193,905 92.968,906 18.685,908 67.828,911 92.968,912 315.021,913 18.685,915 14.778,916 56.429,917 117.684,918 14.132,919 11.771,920 211.88,922 247.193,923 111.653,924 67.828,927 223.651,928 91.37,931 34.343,932 60.524,933 16.786,935 247.193,936 86.513,937 92.968,940 247.193,941 18.874,942 75.994,944 84.614,945 247.193,946 86.513,947 92.968,949 0.549,950 0.308,951 0.166,952 0.075,953 10,954 4,955 0.205,956 9,958 1,959 3.536,960 138.552,962 11,963 88.239,968 15.619,969 8.505,970 5.257,972 84.614,973 15.101,974 4.011,978 0.906,979 2.073,980 42.683,981 426.675,982 28.5,987 11.365,991 -0.723,994 42.694,995 48.567,996 0.265,997 0.591,998 0.75,999 0.862,1000 0.914,1001 0.914,1002 4.541,1003 1,1004 5.283,1005 2.331,1006 4.007,1007 4.505,1008 2.35,1009 5.953,1010 3.959,1011 5.66,1012 0.618,1013 6.749,1014 2.136,1015 3.219,1016 3.829,1017 2.243,1018 6.637,1019 3.141,1020 6.889,1021 0.612,1022 8.327,1023 1.381,1024 5.442,1025 6.473,1026 3.742,1027 9.722,1028 5.352,1029 8.157,1030 0.053,1031 9.98,1032 1.372,1033 5.602,1034 6.713,1035 4.213,1036 11.386,1037 5.489,1038 9.461,1039 -0.556,1040 11.687,1041 0.117,1042 7.177,1043 8.715,1044 5.351,1045 13.927,1046 7.06,1047 10.79,1048 -0.878,1049 13.43,1050 -1.253,1051 7.799,1052 9.388,1053 6.05,1054 15.96,1055 7.672,1056 12.139,1057 -1,1058 15.201,1059 -1.946,1060 9.089,1061 11.089,1062 7.042,1063 18.327,1064 8.962,1065 2.95,1066 -1,1067 16.99,1068 -2,1069 9.94,1070 11.992,1071 7.838,1072 20.503,1073 9.816,1074 2.542,1075 9.732,1076 18.794,1077 -2.347,1078 11.103,1079 13.531,1080 8.766,1081 22.812,1082 10.981,1083 2.096,1084 6.997,1085 20.609,1086 3.611,1087 12.068,1088 14.566,1089 9.604,1090 25.045,1091 11.953,1092 1.784,1093 5.41,1094 22.431,1095 3.479,1096 13.176,1097 16.011,1098 10.503,1099 27.332,1100 13.066,1101 1.451,1102 3.65,1103 24.26,1104 2.817,1105 14.196,1106 17.127,1107 11.361,1108 29.589,1109 14.094,1110 1.353,1111 3.117,1112 26.094,1113 2.01,1114 15.282,1115 18.514,1116 12.247,1117 31.869,1118 15.185,1119 1.065,1120 2.872,1121 27.933,1122 1.879,1123 16.329,1124 19.68,1125 13.113,1126 34.136,1127 16.24,1128 4891,1129 7934,1130 14.792,1131 27.534,1132 31.515,1133 31.462,1134 31.633,1135 31.068,1136 31.051,1137 39.763,1138 5.279,1139 78.23,1140 30.279,1141 5.129,1142 5.802,1143 6.228,1144 4.979,1145 4.95,1146 6.611,1147 4.03,1148 16.167,1149 4.947,1150 7.972,1151 1.432,1152 1.43,1153 1.438,1154 1.412,1155 1.411,1156 1.807,1157 0.24,1158 3.556,1159 1.376,1160 3.97,1161 4.022,1162 3.893,1163 3.891,1164 7.474,1165 3.884,1166 3.917,1167 3.964,1168 3.851,1169 3.733,1170 6.351,1171 3.753,1172 3.693,1173 3.753,1174 3.554,1175 3.565,1176 4.953,1177 3.556,1178 3.499,1179 3.541,1180 3.388,1181 3.339,1182 4.744,1183 3.338,1184 3.244,1185 3.294,1186 3.082,1187 3.033,1188 4.148,1189 3.034,1190 2.919,1191 2.983,1192 2.755,1193 2.735,1194 3.895,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.636,1200 3.674,1201 2.663,1202 2.767,1203 2.832,1204 2.579,1205 2.607,1206 3.656,1207 2.593,1208 0.19,1209 0.173,1210 0.291,1211 0.18,1212 0.134,1213 4.179,1214 0.164,1215 3.802,1216 0.109,1217 6.401,1218 0.442,1219 3.951,1220 0.134,1221 2.95,1222 3.611,1223 2.397,1224 9.732,1225 2.947,1226 1.939,1227 1.912,1228 2.081,1229 2.033,1230 1.409,1231 2.049,1232 1.775,1233 1.715,1234 1.995,1235 1.945,1236 1.235,1237 1.962,1238 1.598,1239 1.538,1240 1.817,1241 1.79,1242 1.037,1243 1.802,1244 1.391,1245 1.34,1246 1.602,1247 1.607,1248 0.811,1249 1.603,1250 1.291,1251 1.225,1252 1.48,1253 1.525,1254 0.564,1255 1.514,1256 1.103,1257 1.039,1258 1.352,1259 1.381,1260 0.405,1261 1.373,1262 0.886,1263 0.821,1264 1.181,1265 1.112,1266 0.261,1267 1.123,1268 0.78,1269 0.732,1270 1.146,1271 1.062,1272 0.218,1273 1.107,1274 3.807,1276 5.03,1277 2.398,1278 6.431,1279 4.443,1280 7.918,1281 6.26,1282 9.452,1289 9.344,1290 5.964,1294 -0.375,1300 25.74,1301 61.735,1302 138.004,1303 174.991,1304 201.065,1305 213.329,1306 213.329,1307 41.4,1308 6.031,1309 55.12,1310 55.12,1311 11,1312 11.638,1313 3.7,1314 2.907,1315 39.64,1316 81,1317 68,1318 0.232,1319 163.07,1320 279.88,1321 389.651,1322 2962,1324 14.916,1325 0.71,1326 0.58,1327 14.916,1328 12.189,1329 10.271,1330 0.467,1331 0.341,1332 7.432,1333 9.952,1334 7.296,1335 6.101,1336 10.271,1337 7.506,1338 8.448,1339 0.313,1340 0.196,1341 8.448,1342 5.305,1343 6.486,1344 0.203,1345 0.116,1346 6.486,1347 3.718,1348 5.141,1349 0.139,1350 0.068,1351 5.141,1352 2.533,1353 3.348,1354 0.096,1355 0.045,1356 3.348,1357 1.569,1358 0.378,1359 63.892,1360 0.26,1361 21.658,1362 0.595,1363 98,1364 275.175,1365 105.953,1366 267.167,1367 352.01,1368 248,1369 108,1370 244.596,1371 115.347,1372 248.748,1373 352.52,1374 233,1375 7.42} {0 CHEMBL545600,1 1.434,2 8.824,3 2.231,4 4.979,5 66.876,6 6.112,7 0.294,8 3.701,9 3.844,10 3.062,11 3.144,12 4.718,13 3.088,14 4.272,15 4.497,16 3.353,17 3.537,18 5.278,19 3.434,20 4.559,21 4.81,22 3.165,23 3.698,24 5.354,25 3.507,26 4.743,27 5.072,28 3.087,29 3.695,30 5.379,31 3.458,32 4.59,33 4.906,34 3.145,35 3.549,36 5.385,37 3.356,38 4.485,39 4.759,40 2.901,41 3.354,42 5.477,43 3.182,44 4.268,45 4.6,46 2.814,47 3.167,48 5.044,49 3.006,50 3.952,51 4.184,52 2.786,53 3.074,54 4.973,55 2.945,56 0.038,57 0.527,58 9.566,59 3.622,60 8.255,61 5.321,62 0.244,63 0.809,64 16.814,65 5.888,66 37.134,67 8.834,68 0.192,69 0.946,70 21.757,71 7.909,72 31.114,73 11.761,74 0.262,75 0.971,76 25.368,77 8.533,78 40.996,79 13.2,80 0.179,81 0.838,82 21.987,83 7.188,84 31.032,85 11.147,86 0.376,87 0.699,88 20.829,89 5.596,90 62.44,91 8.744,92 0.251,93 0.592,94 16.216,95 4.321,96 30.44,97 7.16,98 0.126,99 0.516,100 12.132,101 3.774,102 22.716,103 5.852,104 25,105 22,106 0.265,107 0.551,108 0.761,109 0.837,110 0.837,111 0.837,112 2.904,113 1.089,114 -3.33,115 -3.31,116 -3.17,118 33.3,119 2,120 5,122 1,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 2,191 1,194 7,195 1,198 3,203 1,206 4,207 3,210 5,215 3,218 1,219 1,222 5,227 1,230 1,234 3,239 1,247 3,248 1,258 1,259 1,262 1,270 338,271 10.828,272 10.828,273 10.828,274 10.828,275 10.828,276 10,277 7.886,278 6.672,279 11.018,280 8.395,281 8.395,282 8.395,283 8.395,284 8.395,285 7.197,286 4.393,287 3.193,288 8.687,289 3.852,290 2.303,291 1.167,292 0.757,293 0.757,294 0.757,295 3.527,299 1,300 1,301 295,302 3.937,305 57.773,313 1.481,314 15.092,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 37,326 150,327 4.19,328 3.603,329 6.705,330 4.187,331 3.187,332 3.479,333 2.341,334 10.871,335 3.187,336 3.919,337 3.169,338 5.352,339 3.456,340 2.541,341 3.195,343 6.997,344 2.326,345 3.516,346 2.645,347 4.644,348 3.178,349 2.172,350 2.672,352 5.114,353 2.157,354 2.756,355 1.6,356 3.806,357 2.556,358 1.576,359 1.814,361 3.276,362 1.544,363 2.384,364 1.217,365 3.509,366 2.082,367 1.141,368 1.367,370 2.466,371 1.071,372 2.118,373 1.072,374 3.145,375 1.601,376 0.618,377 0.927,379 1.372,380 0.595,381 1.735,382 0.618,383 3,384 1.554,385 0.601,386 0.644,388 1.345,389 0.577,390 1.393,391 0.421,392 2.77,393 1.274,394 0.293,395 0.314,397 0.651,398 0.286,399 0.505,400 0.299,401 2.2,402 0.314,403 -0.65,404 -0.695,406 -1.606,407 -0.623,408 0.438,409 -0.513,410 2,411 0.077,412 -1,413 -1,415 -2,416 -0.905,418 -0.605,419 2,421 -1,422 -1,424 -2.974,425 -1,427 -1,428 1.294,429 -0.086,430 -1,431 -1.407,433 -2.976,434 -1.07,435 -0.077,436 -1.264,437 1,438 -0.371,439 -1.328,440 -1.479,442 -3,443 -1.272,444 -0.118,445 -1.618,446 1,447 -0.699,448 -1.618,449 -1.842,451 -4.372,452 -1.476,453 -0.526,454 -1.622,455 0.813,456 -0.724,457 -1.694,458 -1.976,460 -4.58,461 -1.637,462 7.967,463 0.469,464 0.505,465 0.03,466 15.75,467 0.926,468 5.5,469 0.324,470 10.25,471 0.603,472 16.581,473 0.975,474 20.833,475 0.534,476 8.348,477 0.491,478 2.67,479 0.157,480 5.325,481 0.313,482 0.209,483 0.063,484 0.113,487 0.811,488 1.681,489 1.02,490 1.433,491 0.718,492 1.283,493 0.54,494 1.122,495 0.957,496 1.116,497 0.339,498 1.089,499 0.804,500 1.268,501 1.237,502 1.369,503 0.822,504 1.374,505 0.563,506 0.842,507 0.817,508 0.897,509 0.566,510 0.897,511 0.559,512 0.953,513 0.745,514 0.988,515 0.515,516 0.903,517 1.875,518 0.969,519 1.275,520 0.936,521 2.083,522 1.026,523 1.076,524 0.542,525 0.8,526 0.506,527 0.875,528 0.579,529 1.208,530 1.417,531 1.227,532 1.32,533 1.26,534 1.286,535 4.5,536 0.046,537 1.556,538 0.722,539 0.685,540 0.191,541 0.26,542 0.178,543 0.094,544 0.065,545 2424,546 6626,547 1.856,548 56.4,549 12,550 2,551 1,552 2,553 1,554 2,555 2,558 1.561,559 1.714,560 3.126,561 -0.256,563 1,565 1,567 55.917,568 1.434,569 2.982,570 4.118,571 4.529,572 4.529,573 4.529,574 2.514,575 3.175,576 4.06,577 3.32,578 451.551,579 6.823,580 4400.92,582 1,584 1,585 206.131,586 1.545,587 3.984,588 0.265,589 0.008,590 0.071,591 0.045,592 0.046,593 0.012,594 0.024,595 0.015,596 0.009,597 0.011,598 0.504,599 0.67,600 1,601 2.655,602 73.271,603 -0.038,604 -0.27,605 0.011,606 -0.102,607 -0.033,608 -0.052,609 0.192,610 0.095,611 0.031,612 0.02,613 0.262,614 0.007,615 -0.105,616 -0.191,617 -0.299,618 -0.263,619 -0.101,620 -0.306,621 0.023,622 0.027,623 0.069,624 0.05,625 -0.003,626 0.064,627 0.092,628 -0.06,629 0.16,630 -0.033,631 0.119,632 0.066,633 -0.296,634 -0.11,635 -0.232,636 -0.044,637 -0.316,638 -0.127,639 -0.1,640 0.326,641 0.164,642 0.318,643 -0.038,644 0.294,645 -0.144,646 -0.321,647 -0.216,648 -0.258,649 -0.172,650 -0.254,651 2.364,652 3.521,653 0.294,654 13.038,655 0.992,656 1.143,657 2.097,658 4.398,659 0.603,660 2.89,661 3.135,662 3.091,663 3.135,664 3.045,665 2.773,666 2.833,667 2.773,668 2.708,669 2.708,670 5.522,671 0.557,672 238.37,673 2.89,674 4.369,675 5.106,676 5.927,677 6.686,678 7.504,679 8.274,680 9.088,681 9.864,682 10.677,683 5.1,691 1,693 1,699 3,700 1,705 1,706 5,724 39,726 6,728 17,730 39,731 13,733 3,739 1,740 1,745 2,746 1,751 5,753 4,754 9,756 1,761 1,765 1,769 1,772 22,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,836 2,840 17,845 1,846 6,852 1,862 5.1,864 1,865 1,869 9.917,870 7.267,871 3.833,872 2.444,874 0.829,875 1.155,876 0.852,877 5.528,878 6.186,879 3.068,880 3.474,881 3.647,882 3.962,883 3.698,884 3.508,885 3.594,886 3.647,887 3.735,888 3.944,889 0.833,890 16,891 6.285,893 2.469,894 7.848,895 12.174,897 9.527,899 2.348,900 39.917,901 0.002,904 247.193,905 60.052,906 18.685,908 67.828,911 60.052,912 315.021,913 18.685,914 17.65,915 14.778,916 9.047,917 117.684,918 10.947,919 11.771,920 211.88,922 247.193,923 78.737,924 67.828,927 223.651,928 91.37,931 51.994,932 9.957,933 16.786,935 247.193,936 86.513,937 60.052,940 247.193,941 15.688,942 46.263,944 84.614,945 247.193,946 86.513,947 60.052,949 0.568,950 0.272,951 0.123,952 0.064,953 8,954 4,955 0.205,956 8,958 1,959 3.001,960 97.356,962 5,963 67.487,968 14.075,969 6.677,970 6.347,972 84.614,973 5.585,974 3.996,979 2.074,980 42.683,981 393.758,982 20.5,987 10.521,991 -0.698,994 38.694,995 44.567,996 0.271,997 0.564,998 0.779,999 0.857,1000 0.857,1001 0.857,1002 4.266,1003 0.293,1004 5.118,1005 1.345,1006 3.807,1007 4.151,1008 2.258,1009 5.844,1010 3.748,1011 5.433,1012 -0.65,1013 6.64,1014 0.651,1015 3.611,1016 3.922,1017 2.243,1018 7.125,1019 3.559,1020 6.712,1021 -1,1022 8.286,1023 -1.606,1024 5.416,1025 6.075,1026 3.628,1027 9.899,1028 5.324,1029 8.024,1030 -1,1031 10.011,1032 -2,1033 6.019,1034 6.605,1035 4.112,1036 11.978,1037 5.946,1038 9.365,1039 -1,1040 11.788,1041 -2.974,1042 7.373,1043 8.26,1044 5.201,1045 14.433,1046 7.279,1047 10.724,1048 -1.328,1049 13.6,1050 -2.976,1051 8.295,1052 9.118,1053 5.889,1054 16.734,1055 8.223,1056 12.095,1057 -1.618,1058 15.437,1059 -3,1060 9.505,1061 10.562,1062 6.849,1063 19.129,1064 9.426,1065 3.187,1066 -1.694,1067 17.29,1068 -4.372,1069 10.56,1070 11.586,1071 7.625,1072 21.49,1073 10.498,1074 2.541,1075 10.871,1076 19.156,1077 -4.58,1078 11.725,1079 12.926,1080 8.526,1081 23.876,1082 11.665,1083 2.172,1084 6.997,1085 21.03,1086 3.479,1087 12.835,1088 14.04,1089 9.342,1090 26.254,1091 12.788,1092 1.576,1093 5.114,1094 22.911,1095 3.195,1096 13.989,1097 15.328,1098 10.216,1099 28.639,1100 13.945,1101 1.141,1102 3.276,1103 24.797,1104 2.672,1105 15.124,1106 16.493,1107 11.051,1108 31.022,1109 15.089,1110 0.618,1111 2.466,1112 26.687,1113 1.814,1114 16.276,1115 17.754,1116 11.912,1117 33.407,1118 16.245,1119 0.601,1120 1.372,1121 28.579,1122 1.367,1123 17.422,1124 18.947,1125 12.755,1126 35.792,1127 17.398,1128 2590,1129 4350,1130 10.515,1131 23.534,1132 24.728,1133 24.691,1134 24.449,1135 24.249,1136 24.259,1137 28.822,1138 4.682,1139 64.183,1140 23.485,1141 5.129,1142 5.528,1143 6.397,1144 5.214,1145 5.172,1146 6.064,1147 3.925,1148 16.618,1149 5.128,1150 9.781,1151 1.455,1152 1.452,1153 1.438,1154 1.426,1155 1.427,1156 1.695,1157 0.275,1158 3.775,1159 1.381,1160 3.949,1161 4.016,1162 3.872,1163 3.787,1164 7.474,1165 3.788,1166 3.832,1167 3.886,1168 3.714,1169 3.676,1170 6.351,1171 3.688,1172 3.54,1173 3.587,1174 3.421,1175 3.362,1176 4.953,1177 3.36,1178 3.385,1179 3.439,1180 3.222,1181 3.183,1182 4.315,1183 3.188,1184 2.945,1185 3.051,1186 2.706,1187 2.735,1188 3.969,1189 2.709,1190 2.874,1191 3.009,1192 2.603,1193 2.618,1194 3.584,1195 2.57,1196 2.844,1197 2.902,1198 2.499,1199 2.499,1200 3.53,1201 2.525,1202 2.501,1203 2.609,1204 2.271,1205 2.306,1206 3.467,1207 2.286,1208 0.246,1209 0.212,1210 0.394,1211 0.246,1212 0.187,1213 4.19,1214 0.205,1215 3.603,1216 0.138,1217 6.705,1218 0.639,1219 4.187,1220 0.187,1221 3.187,1222 3.479,1223 2.341,1224 10.871,1225 3.187,1226 1.866,1227 1.816,1228 2.082,1229 2.011,1230 1.44,1231 2.037,1232 1.669,1233 1.603,1234 1.895,1235 1.878,1236 1.2,1237 1.884,1238 1.424,1239 1.376,1240 1.663,1241 1.669,1242 0.885,1243 1.661,1244 1.322,1245 1.26,1246 1.575,1247 1.534,1248 0.722,1249 1.55,1250 1.246,1251 1.165,1252 1.462,1253 1.507,1254 0.476,1255 1.502,1256 0.934,1257 0.804,1258 1.417,1259 1.239,1260 0.469,1261 1.308,1262 0.856,1263 0.75,1264 1.236,1265 1.144,1266 0.309,1267 1.177,1268 0.726,1269 0.674,1270 1.053,1271 1.108,1272 0.144,1273 1.104,1274 3.555,1276 4.812,1277 2.398,1278 6.209,1279 4.443,1280 7.668,1281 6.26,1282 9.165,1284 4.292,1289 8.663,1290 5.351,1296 0.132,1300 21.74,1301 55.917,1302 116.317,1303 160.621,1304 176.621,1305 176.621,1306 176.621,1307 39.451,1308 5.357,1309 55.12,1310 55.12,1311 5,1312 11.272,1313 2.807,1314 2.17,1315 38.463,1316 56,1317 43,1318 0.334,1319 140.876,1320 241.86,1321 335.498,1322 1112,1324 12.726,1325 0.749,1326 0.631,1327 12.726,1328 10.725,1329 7.995,1330 0.47,1331 0.363,1332 6.096,1333 7.669,1334 5.852,1335 4.953,1336 7.995,1337 6.171,1338 7.493,1339 0.341,1340 0.242,1341 7.493,1342 5.316,1343 4.589,1344 0.219,1345 0.147,1346 4.589,1347 3.095,1348 3.14,1349 0.143,1350 0.086,1351 3.14,1352 1.887,1353 2.169,1354 0.108,1355 0.059,1356 2.169,1357 1.178,1358 0.539,1359 50.236,1360 0.308,1361 17.887,1362 0.869,1363 78,1364 223.175,1365 85.953,1366 213.735,1367 272.26,1368 196,1369 82,1370 182.596,1371 88.682,1372 186.362,1373 257.38,1374 171,1375 7.149} {0 CHEMBL545601,1 1.664,2 9,3 2.297,4 5.274,5 62.47,6 7.417,7 0.313,8 3.556,9 3.684,10 3.087,11 3.022,12 4.625,13 2.981,14 4.115,15 4.315,16 3.379,17 3.398,18 5.223,19 3.295,20 4.378,21 4.64,22 3.364,23 3.449,24 5.393,25 3.279,26 4.315,27 4.6,28 2.995,29 3.345,30 5.13,31 3.148,32 4.192,33 4.476,34 2.911,35 3.216,36 5.035,37 3.032,38 4.058,39 4.333,40 2.834,41 3.083,42 4.952,43 2.913,44 3.903,45 4.167,46 2.75,47 2.93,48 4.86,49 2.778,50 3.72,51 3.968,52 2.692,53 2.728,54 4.774,55 2.607,56 0.042,57 0.441,58 7.305,59 2.973,60 8.925,61 4.166,62 0.255,63 0.65,64 15.455,65 5.01,66 40.586,67 7.182,68 0.427,69 0.677,70 24.245,71 6.521,72 60.097,73 9.33,74 0.306,75 0.622,76 21.937,77 6.031,78 42.974,79 8.789,80 0.274,81 0.551,82 18.876,83 5.184,84 38.906,85 7.6,86 0.255,87 0.477,88 16.776,89 4.425,90 36.043,91 6.467,92 0.236,93 0.402,94 14.675,95 3.666,96 33.187,97 5.333,98 0.244,99 0.327,100 12.874,101 2.78,102 30.183,103 4.159,104 18,105 19,106 0.321,107 0.596,108 0.739,109 0.846,110 0.902,111 0.902,112 2.847,113 1.118,114 -3.06,115 -3.05,116 -2.94,118 33.3,120 5,124 1,126 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 1,175 1,180 4,181 2,186 3,191 2,194 3,195 1,198 3,203 1,206 2,207 1,210 3,215 1,218 1,219 1,222 3,227 1,229 1,230 1,234 2,239 1,247 2,248 1,258 1,262 1,270 274,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.784,277 8.455,278 6.731,279 10.888,280 7.891,281 7.891,282 7.891,283 7.891,284 7.891,285 6.721,286 5.253,287 3.218,288 8.43,289 3.38,290 1.954,291 1.211,292 0.652,293 0.364,294 0.364,295 3.474,296 1,299 1,300 1,301 284,302 3.536,305 53.736,313 1.5,314 16.98,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 35.333,326 144,327 3.92,328 3.811,329 5.736,330 3.571,331 2.644,332 3.479,333 2.474,334 7.414,335 2.39,336 3.832,337 2.646,338 5.352,339 3.458,340 2.542,341 2.989,342 0.434,343 6.997,344 2.327,345 2.863,346 2.478,347 3.893,348 2.779,349 1.784,350 1.888,352 3.651,353 1.772,354 2.677,355 1.765,356 3.641,357 2.385,358 1.414,359 1.694,361 3.01,362 1.361,363 2.423,364 1.394,365 3.361,366 2.092,367 1.155,368 1.368,370 2.488,371 1.058,372 2.118,373 0.995,374 3,375 1.704,376 0.783,377 0.927,379 1.641,380 0.671,381 1.932,382 0.618,383 2.912,384 1.554,385 0.618,386 0.864,388 1.372,389 0.577,390 1.243,391 0.505,392 2.376,393 1.079,394 0.159,395 0.168,397 0.334,398 0.133,399 0.547,400 0.341,401 1.88,402 0.376,403 -0.538,404 -0.565,406 -1.185,407 -0.441,408 0.43,409 -0.257,410 1.41,411 -0.007,412 -1,413 -1.167,415 -2,416 -0.875,417 0.037,418 -0.577,419 1.206,420 -0.217,421 -1.11,422 -1.282,424 -2.494,425 -0.979,426 -0.118,427 -1.033,428 1,429 -0.583,430 -1.414,431 -1.577,433 -3.122,434 -1.257,435 -0.266,436 -1.484,437 1,438 -0.685,439 -1.594,440 -1.802,442 -3.658,443 -1.472,444 -0.461,445 -1.618,446 0.677,447 -0.705,448 -1.618,449 -1.972,451 -4.372,452 -1.55,453 -0.734,454 -1.763,455 0.385,456 -0.874,457 -1.841,458 -2.427,459 -1.181,460 -4.747,461 -1.773,462 7.681,463 0.48,464 0.302,465 0.019,466 15.5,467 0.969,468 5.5,469 0.344,470 10,471 0.625,472 13.481,473 0.843,474 19.319,475 0.585,476 8.245,477 0.515,478 2.746,479 0.172,480 4.952,481 0.309,482 0.18,484 0.182,487 0.762,488 1.702,489 0.687,490 1.214,491 0.679,492 1.133,493 0.633,494 1.242,495 0.919,496 1.139,497 0.432,498 1.163,499 0.671,500 0.988,501 0.929,502 1.093,503 0.673,504 1.058,505 0.832,506 0.907,507 0.983,508 0.98,509 0.788,510 1.002,511 0.872,512 0.908,513 0.91,514 0.93,515 0.854,516 0.965,517 1,518 0.913,519 0.984,520 0.933,521 0.984,522 0.965,523 1.176,524 0.919,525 1.086,526 0.937,527 1.165,528 0.966,529 1.324,530 0.966,531 1.205,532 1.031,533 1.409,534 1.007,535 2.5,536 0.066,537 1.333,538 0.472,539 0.285,540 0.191,541 0.137,542 0.072,543 0.081,544 0.095,545 2225,546 7855,547 1.895,548 51.5,549 6,550 3,551 1,552 2,553 1,555 4,558 1.536,559 1.778,560 3.181,561 -0.168,563 1,564 1,565 1,567 54.924,568 1.664,569 3.091,570 3.833,571 4.393,572 4.681,573 4.681,574 2.5,575 3.125,576 3.976,577 3.356,578 402.691,579 6.623,580 3874.3,582 1,584 1,585 166.465,586 1.329,587 3.929,588 0.156,589 0.008,590 0.07,591 0.031,592 0.024,593 0.017,594 0.014,595 0.008,596 0.01,597 0.012,598 0.351,599 0.67,600 1,601 2.703,602 68.41,603 -0.064,604 -0.316,605 0.001,606 -0.092,607 -0.027,608 -0.051,609 0.109,610 -0.038,611 -0.065,612 -0.106,613 0.192,614 -0.145,615 0.144,616 -0.055,617 0.049,618 -0.1,619 0.124,620 -0.061,621 -0.07,622 -0.009,623 -0.063,624 -0.022,625 -0.061,626 -0.021,627 -0.077,628 -0.005,629 -0.033,630 0.007,631 -0.074,632 0.002,633 -0.118,634 -0.006,635 -0.058,636 0.005,637 -0.112,638 -0.006,639 -0.174,640 -0.007,641 -0.092,642 0.002,643 -0.165,644 -0.018,645 -0.144,646 -0.048,647 -0.113,648 -0.094,649 -0.224,650 -0.077,651 2.583,652 3.432,653 0.313,654 12.125,655 1.008,656 1.142,657 1.825,658 3.332,659 0.632,660 2.833,661 2.996,662 3.045,663 2.996,664 2.773,665 2.708,666 2.639,667 2.565,668 2.565,669 2.565,670 5.729,671 0.591,672 244.75,673 2.833,674 4.263,675 5.004,676 5.771,677 6.529,678 7.298,679 8.061,680 8.829,681 9.594,682 10.363,683 6.1,691 1,693 1,699 3,700 1,705 1,706 5,724 33,726 6,728 16,730 33,731 11,733 3,738 1,739 1,740 1,741 1,751 6,753 4,754 7,756 1,761 1,765 1,769 1,772 17,773 3,774 1,775 5,776 1,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,837 1,840 16,845 1,846 6,850 1,861 1,862 6.1,864 1,865 1,869 9,870 5.493,871 3.778,872 2.117,874 0.851,875 1.162,876 0.867,877 6.308,878 6.104,879 3.02,880 3.376,881 3.647,882 3.903,883 3.508,884 3.477,885 3.446,886 3.414,887 3.446,888 3.58,889 0.833,890 15,891 5.904,893 2.34,894 8.007,895 11.225,897 8.641,899 2.507,900 40.111,901 0.002,904 188.338,905 42.402,906 18.685,907 39.149,908 67.828,911 42.402,912 295.315,913 18.685,915 14.778,916 9.047,917 117.684,918 10.947,919 11.771,920 192.173,922 188.338,923 61.086,924 67.828,925 39.149,927 141.253,928 114.913,931 34.343,932 9.957,933 55.934,935 188.338,936 86.513,937 81.55,940 188.338,941 15.688,942 28.613,944 123.762,945 188.338,946 86.513,947 81.55,949 0.55,950 0.293,951 0.122,952 0.047,953 6,954 3,955 0.242,956 8,958 1,959 3,960 85.831,962 5,963 64,968 13.364,969 7.552,970 5.84,972 84.614,973 5.517,974 3.96,979 2.043,980 42.683,981 356.401,982 19.5,987 10.432,991 -0.917,994 33.251,995 37.681,996 0.33,997 0.613,998 0.76,999 0.871,1000 0.928,1001 0.928,1002 4.163,1003 0.159,1004 4.905,1005 1.372,1006 3.664,1007 4.052,1008 2.458,1009 5.493,1010 3.527,1011 5.257,1012 -0.538,1013 6.34,1014 0.334,1015 2.944,1016 3.481,1017 2.243,1018 5.999,1019 2.605,1020 6.467,1021 -1,1022 7.88,1023 -1.185,1024 5.043,1025 5.91,1026 3.898,1027 8.954,1028 4.757,1029 7.713,1030 -1.11,1031 9.483,1032 -2,1033 5.198,1034 6.271,1035 4.33,1036 10.335,1037 4.657,1038 8.995,1039 -1.414,1040 11.127,1041 -2.494,1042 6.686,1043 8.065,1044 5.558,1045 12.712,1046 6.212,1047 10.299,1048 -1.594,1049 12.798,1050 -3.122,1051 7.245,1052 8.847,1053 6.251,1054 14.428,1055 6.521,1056 11.619,1057 -1.618,1058 14.488,1059 -3.658,1060 8.464,1061 10.362,1062 7.303,1063 16.588,1064 7.782,1065 2.644,1066 -1.841,1067 16.189,1068 -4.372,1069 9.218,1070 11.353,1071 8.11,1072 18.446,1073 8.313,1074 2.542,1075 7.414,1076 17.899,1077 -4.747,1078 10.31,1079 12.733,1080 9.084,1081 20.514,1082 9.415,1083 1.784,1084 6.997,1085 19.615,1086 3.479,1087 11.162,1088 13.835,1089 9.943,1090 22.437,1091 10.073,1092 1.414,1093 3.651,1094 21.334,1095 2.989,1096 12.19,1097 15.147,1098 10.881,1099 24.463,1100 11.083,1101 1.155,1102 3.01,1103 23.057,1104 1.888,1105 13.092,1106 16.309,1107 11.764,1108 26.418,1109 11.818,1110 0.783,1111 2.488,1112 24.782,1113 1.694,1114 14.088,1115 17.586,1116 12.686,1117 28.424,1118 12.772,1119 0.618,1120 1.641,1121 26.508,1122 1.368,1123 15.017,1124 18.782,1125 13.58,1126 30.395,1127 13.553,1128 2362,1129 4522,1130 10.227,1131 20.87,1132 22.513,1133 22.523,1134 22.544,1135 22.342,1136 22.2,1137 26.755,1138 5.815,1139 53.815,1140 20.577,1141 4.862,1142 5.733,1143 5.567,1144 4.597,1145 4.629,1146 6.064,1147 4.2,1148 12.743,1149 4.33,1150 8.395,1151 1.407,1152 1.408,1153 1.409,1154 1.396,1155 1.387,1156 1.672,1157 0.363,1158 3.363,1159 1.286,1160 3.94,1161 4.009,1162 3.899,1163 3.748,1164 7.474,1165 3.764,1166 3.763,1167 3.811,1168 3.854,1169 3.619,1170 6.351,1171 3.616,1172 3.545,1173 3.586,1174 3.472,1175 3.384,1176 4.953,1177 3.379,1178 3.246,1179 3.298,1180 3.083,1181 3.035,1182 4.649,1183 3.035,1184 2.908,1185 2.981,1186 3.033,1187 2.635,1188 4.116,1189 2.643,1190 2.59,1191 2.679,1192 2.622,1193 2.328,1194 3.798,1195 2.32,1196 2.468,1197 2.568,1198 2.272,1199 2.234,1200 3.443,1201 2.226,1202 2.293,1203 2.409,1204 2.168,1205 1.987,1206 3.318,1207 1.961,1208 0.245,1209 0.238,1210 0.359,1211 0.223,1212 0.165,1213 3.92,1214 0.217,1215 3.811,1216 0.155,1217 5.736,1218 0.463,1219 3.571,1220 0.149,1221 2.644,1222 3.479,1223 2.474,1224 7.414,1225 2.39,1226 1.799,1227 1.742,1228 2.03,1229 1.97,1230 1.391,1231 1.992,1232 1.633,1233 1.578,1234 1.837,1235 1.836,1236 1.158,1237 1.841,1238 1.405,1239 1.355,1240 1.601,1241 1.629,1242 0.84,1243 1.624,1244 1.292,1245 1.226,1246 1.476,1247 1.525,1248 0.554,1249 1.514,1250 1.096,1251 1.036,1252 1.333,1253 1.381,1254 0.389,1255 1.373,1256 0.78,1257 0.704,1258 1.126,1259 1.102,1260 0.228,1261 1.122,1262 0.468,1263 0.369,1264 0.928,1265 0.826,1266 0.036,1267 0.875,1268 0.209,1269 0.084,1270 0.756,1271 0.608,1273 0.672,1274 3.497,1276 4.691,1277 2.398,1278 6.033,1279 4.443,1280 7.439,1281 6.26,1282 8.879,1285 5.598,1289 8.567,1290 5.637,1294 -0.728,1300 19.514,1301 54.924,1302 101.995,1303 126.491,1304 144.955,1305 154.465,1306 154.465,1307 34.453,1308 5.252,1309 55.12,1310 55.12,1311 5,1312 10.986,1313 2.807,1314 2.17,1315 35.137,1316 56,1317 36,1318 0.305,1319 130.025,1320 222.47,1321 309.02,1322 1022,1323 3,1324 11.803,1325 0.738,1326 0.621,1327 12.303,1328 9.936,1329 7.698,1330 0.481,1331 0.373,1332 5.486,1333 7.094,1334 5.363,1335 4.462,1336 7.987,1337 5.962,1338 6.363,1339 0.335,1340 0.228,1341 6.734,1342 4.336,1343 4.635,1344 0.232,1345 0.143,1346 5.112,1347 2.856,1348 2.885,1349 0.152,1350 0.088,1351 2.987,1352 1.668,1353 1.609,1354 0.107,1355 0.065,1356 1.681,1357 0.973,1358 0.504,1359 51.633,1360 0.313,1361 17.194,1362 0.761,1363 70,1364 241.379,1365 93.472,1366 256.273,1367 317.52,1368 236,1369 74,1370 188.243,1371 94.354,1372 195.488,1373 277.86,1374 182,1375 7.602} {0 CHEMBL545602,1 1.578,2 7.176,3 1.579,4 2.493,5 65.599,6 7.871,7 0.611,8 3.468,9 3.573,10 3.07,11 3.015,12 4.712,13 3.011,14 3.906,15 4.056,16 3.344,17 3.347,18 5.246,19 3.315,20 4.074,21 4.264,22 3.185,23 3.419,24 5.134,25 3.32,26 4.114,27 4.345,28 3.141,29 3.371,30 5.094,31 3.263,32 4.052,33 4.277,34 3.225,35 3.329,36 5.139,37 3.255,38 4.044,39 4.247,40 3.185,41 3.233,42 5.289,43 3.177,44 3.937,45 4.164,46 2.765,47 2.889,48 5.219,49 2.803,50 3.421,51 3.694,52 2.27,53 2.278,54 4.67,55 2.219,56 0.043,57 0.407,58 5.206,59 2.479,60 7.857,61 2.994,62 0.212,63 0.627,64 9.039,65 3.705,66 28.536,67 4.7,68 0.138,69 0.681,70 11.742,71 5.091,72 24.069,73 6.608,74 0.158,75 0.702,76 13.28,77 5.194,78 26.113,79 7.116,80 0.123,81 0.663,82 12.316,83 4.814,84 17.214,85 6.592,86 0.154,87 0.632,88 12.169,89 4.517,90 25.503,91 5.853,92 0.361,93 0.515,94 12.436,95 3.736,96 47.219,97 4.713,98 0.142,99 0.295,100 7.845,101 2.251,102 22.107,103 3.053,104 8,105 23,106 0.302,107 0.662,108 0.837,109 0.903,110 0.916,111 0.916,112 2.907,113 0.867,114 -2.99,115 -2.99,116 -2.88,118 44.8,124 1,133 2,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 1,186 3,191 1,194 7,195 1,198 5,203 1,206 3,207 2,210 6,215 2,218 1,219 2,222 5,223 1,227 2,230 1,233 1,234 3,237 1,239 1,248 1,258 1,262 1,270 345,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.797,277 10.659,278 7.145,279 11.665,280 8.921,281 8.921,282 8.921,283 8.921,284 8.921,285 6.448,286 15.208,287 3.439,288 9.203,289 3.28,290 1.398,291 0.483,292 0.138,293 0.069,294 0.069,295 3.561,299 1,300 1,301 251,302 2.739,305 44.339,306 57.97,313 1.149,314 14.185,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 37,326 122,327 4.253,328 3.474,329 6.168,330 3.878,331 2.89,332 3.872,333 1.437,334 9.173,335 2.861,336 3.878,337 3.049,338 5.335,339 3.392,340 2.463,341 3.443,342 0.522,343 6.921,344 2.285,345 3.619,346 2.517,347 4.675,348 3.188,349 2.186,350 2.872,352 5.194,353 2.159,354 2.965,355 1.726,356 4.304,357 2.548,358 1.559,359 2.113,361 4.101,362 1.539,363 2.916,364 1.497,365 3.632,366 2.454,367 1.458,368 2.078,370 3.066,371 1.451,372 2.552,373 1.166,374 3.39,375 2.044,376 1.11,377 1.573,379 2.467,380 1.034,381 2.314,382 0.878,383 3,384 1.602,385 0.618,386 0.948,388 1.372,389 0.597,390 2.118,391 0.618,392 2.947,393 1.554,394 0.6,395 0.927,397 1.315,398 0.577,399 1.302,400 0.433,401 2.62,402 0.939,403 -0.039,404 -0.051,406 -0.096,407 -0.038,408 0.734,409 0.155,410 2,411 0.347,412 -0.641,413 -0.789,415 -1.6,416 -0.621,417 0.486,418 -0.53,419 1.911,420 0.026,421 -0.946,422 -1.273,424 -2,425 -0.917,426 0.469,427 -0.86,428 1.486,430 -1,431 -1.382,433 -2.304,434 -0.964,435 -0.051,436 -1.145,437 1.132,438 -0.273,439 -1.254,440 -1.725,442 -3.307,443 -1.274,444 -0.118,445 -1.387,446 1,447 -0.586,448 -1.543,449 -2.052,451 -3.535,452 -1.45,453 -0.12,454 -1.618,455 1,456 -0.706,457 -1.618,458 -2.427,460 -4.372,461 -1.498,462 7.967,463 0.469,464 0.332,465 0.02,466 23.75,467 1.397,468 13,469 0.765,470 10.75,471 0.632,472 9.024,473 0.531,474 17.833,475 0.615,476 15.157,477 0.892,478 5.122,479 0.301,480 3.132,481 0.184,482 0.084,484 0.238,487 0.812,488 1.299,489 0.754,490 1.025,491 0.728,492 0.906,493 0.623,494 0.94,495 0.932,496 0.935,497 0.389,498 0.962,499 0.74,500 1.096,501 1.107,502 1.179,503 0.752,504 1.214,505 0.639,506 1.017,507 0.957,508 1.033,509 0.594,510 1.051,511 0.603,512 1,513 0.772,514 0.976,515 0.504,516 0.912,517 1.059,518 1.161,519 0.985,520 1.15,521 1.045,522 1.069,523 1.647,524 0.88,525 1.328,526 0.935,527 1.922,528 1.06,529 1.46,530 0.795,531 0.908,532 0.808,533 1.424,534 0.752,535 3,537 1.333,538 0.597,539 0.577,540 0.375,541 0.207,542 0.174,543 0.068,544 0.049,545 2297,546 7733,547 2.028,548 41.4,550 8,551 1,552 2,553 1,558 1.571,559 1.925,560 2.903,561 -0.256,563 1,564 1,565 1,567 45.756,568 1.578,569 3.46,570 4.375,571 4.72,572 4.789,573 4.789,574 2.278,575 3.617,576 4.057,577 3.021,578 410.799,579 6.871,580 3813.23,582 1,584 1,585 140.881,586 1.261,587 4.03,588 0.167,590 0.058,591 0.031,592 0.032,593 0.019,594 0.011,595 0.017,596 0.011,597 0.012,598 0.359,599 0.67,600 1,601 1.325,602 70.683,603 -0.085,604 -0.198,605 0.014,606 -0.036,607 -0.099,608 -0.005,609 0.141,610 0.182,611 -0.104,612 0.013,613 0.239,614 -0.065,615 -0.086,616 -0.132,617 -0.229,618 -0.171,619 -0.079,620 -0.22,621 -0.02,622 -0.069,623 -0.018,624 -0.041,625 -0.024,626 -0.031,627 0.043,628 -0.04,629 0.169,630 0.015,631 0.085,632 0.103,633 -0.071,634 -0.214,635 -0.014,636 -0.188,637 -0.038,638 -0.104,639 -0.125,640 0.02,641 -0.227,642 -0.017,643 -0.303,644 -0.13,645 -0.106,646 0.06,647 0.26,648 0.118,649 0.002,650 0.246,651 2.609,652 3.499,653 0.647,654 11.336,655 1.01,656 1.12,657 1.759,658 3.093,659 0.68,660 2.944,661 3.178,662 3.332,663 3.526,664 3.611,665 3.584,666 3.584,667 3.555,668 3.367,669 3.091,670 4.63,671 0.659,672 228.27,673 2.944,674 4.419,675 5.209,676 6.038,677 6.853,678 7.688,679 8.514,680 9.352,681 10.183,682 11.022,683 6.9,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 29,726 13,727 1,728 18,730 30,731 13,733 9,734 2,735 4,736 3,739 2,740 2,753 12,754 1,756 2,761 1,763 2,765 1,769 1,772 12,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,822 2,830 1,832 2,840 17,845 1,846 1,862 6.9,864 1,865 1,869 8.833,870 5.017,871 3.861,872 1.535,874 2.525,875 1.431,876 0.935,877 3.604,878 8.389,879 3.277,880 3.801,881 4.292,882 4.791,883 5.127,884 5.303,885 5.628,886 5.922,887 6.09,888 6.081,889 0.8,890 19,891 6.207,893 2.519,894 8,895 11.575,897 8.926,899 2.5,900 42.5,901 0.001,904 129.482,905 92.958,906 18.685,908 67.828,911 92.958,912 197.31,913 18.685,915 2.106,916 65.905,917 117.684,918 17.318,919 11.771,920 94.169,922 129.482,923 111.642,924 67.828,927 129.482,928 67.828,931 21.671,932 54.233,933 35.738,935 129.482,936 86.513,937 92.958,940 129.482,941 9.387,942 85.47,944 84.614,945 129.482,946 86.513,947 92.958,949 0.558,950 0.296,951 0.158,952 0.084,953 10,954 4,955 0.133,956 4,958 1,959 3.014,960 109.102,962 11,963 69.487,968 11.459,969 5.347,970 3.212,972 84.614,973 13.015,974 3.973,978 1.964,979 1.938,980 42.683,981 308.953,982 25.5,987 10.499,989 2.751,991 -0.942,994 29.276,995 32.491,996 0.325,997 0.712,998 0.901,999 0.972,1000 0.986,1001 0.986,1002 4.44,1003 0.6,1004 5.142,1005 1.372,1006 3.85,1007 4.483,1008 1.736,1009 5.832,1010 3.794,1011 5.617,1012 -0.039,1013 6.619,1014 1.315,1015 3.219,1016 3.98,1018 6.503,1019 3.141,1020 6.878,1021 -0.641,1022 8.196,1023 -0.096,1024 5.313,1025 6.574,1026 2.269,1027 9.552,1028 5.208,1029 8.175,1030 -0.946,1031 9.836,1032 -1.6,1033 5.525,1034 6.94,1036 11.114,1037 5.4,1038 9.502,1039 -1,1040 11.519,1041 -2,1042 7.043,1043 8.909,1044 2.925,1045 13.637,1046 6.901,1047 10.851,1048 -1.254,1049 13.231,1050 -2.304,1051 7.663,1052 9.706,1054 15.565,1055 7.507,1056 12.216,1057 -1.543,1058 14.966,1059 -3.307,1060 8.926,1061 11.381,1062 3.619,1063 17.9,1064 8.759,1065 2.89,1066 -1.618,1067 16.717,1068 -3.535,1069 9.755,1070 12.41,1072 19.988,1073 9.58,1074 2.463,1075 9.173,1076 18.481,1077 -4.372,1078 10.899,1079 13.933,1080 4.33,1081 22.25,1082 10.717,1083 2.186,1084 6.921,1085 20.255,1086 3.872,1087 11.836,1088 15.094,1090 24.407,1091 11.649,1092 1.559,1093 5.194,1094 22.037,1095 3.443,1096 12.927,1097 16.536,1098 5.047,1099 26.641,1100 12.734,1101 1.458,1102 4.101,1103 23.826,1104 2.872,1105 13.92,1106 17.772,1108 28.829,1109 13.724,1110 1.11,1111 3.066,1112 25.619,1113 2.113,1114 14.988,1115 19.171,1116 5.769,1117 31.052,1118 14.787,1119 0.618,1120 2.467,1121 27.416,1122 2.078,1123 16.011,1124 20.45,1126 33.255,1127 15.806,1128 2356,1129 4391,1130 12.019,1131 19.727,1132 26.565,1133 26.377,1134 26.143,1135 25.763,1136 25.769,1137 35.654,1138 3.916,1139 67.218,1140 25.004,1141 5.033,1142 5.474,1143 5.855,1144 4.911,1145 4.89,1146 6.872,1147 2.873,1148 15.421,1149 4.861,1150 7.058,1151 1.476,1152 1.465,1153 1.452,1154 1.431,1155 1.432,1156 1.981,1157 0.218,1158 3.734,1159 1.389,1160 4.008,1161 4.053,1162 3.95,1163 3.921,1164 7.476,1165 3.92,1166 3.82,1167 3.869,1168 3.761,1169 3.642,1170 6.351,1171 3.668,1172 3.54,1173 3.549,1174 3.478,1175 3.377,1176 4.963,1177 3.391,1178 3.082,1179 3.153,1180 2.943,1181 2.943,1182 4.733,1183 2.933,1184 2.968,1185 2.99,1186 2.861,1187 2.749,1188 4.131,1189 2.772,1190 2.662,1191 2.738,1192 2.478,1193 2.436,1194 3.808,1195 2.442,1196 2.48,1197 2.576,1198 2.274,1199 2.283,1200 3.511,1201 2.273,1202 2.348,1203 2.436,1204 2.188,1205 2.096,1206 3.347,1207 2.105,1208 0.236,1209 0.193,1210 0.343,1211 0.215,1212 0.161,1213 4.253,1214 0.215,1215 3.474,1216 0.08,1217 6.168,1218 0.51,1219 3.878,1220 0.159,1221 2.89,1222 3.872,1223 1.437,1224 9.173,1225 2.861,1226 1.952,1227 1.927,1228 2.059,1229 2.036,1230 1.216,1231 2.045,1232 1.525,1233 1.476,1234 1.689,1235 1.75,1236 0.819,1237 1.734,1238 1.457,1239 1.42,1240 1.619,1241 1.653,1242 0.61,1243 1.633,1244 1.293,1245 1.224,1246 1.472,1247 1.525,1248 0.441,1249 1.513,1250 0.923,1251 0.867,1252 1.186,1253 1.161,1254 0.226,1255 1.147,1256 0.873,1257 0.844,1258 1.097,1259 1.105,1260 0.127,1261 1.125,1262 0.564,1263 0.498,1264 0.905,1265 0.874,1267 0.908,1268 0.266,1269 0.168,1270 0.693,1271 0.573,1273 0.621,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.79,1281 6.26,1282 9.348,1289 8.62,1290 0.681,1300 19.106,1301 45.756,1302 100.352,1303 126.881,1304 136.881,1305 138.881,1306 138.881,1307 22.142,1308 5.864,1309 55.12,1310 55.12,1311 11,1312 11.59,1313 3.807,1314 3.087,1315 28.324,1316 45,1317 43,1318 0.306,1319 121.773,1320 208.04,1321 288.887,1322 2190,1324 12.088,1325 0.711,1326 0.538,1327 12.088,1328 9.153,1329 8.254,1330 0.459,1331 0.289,1332 5.127,1333 7.932,1334 5.02,1335 4.198,1336 8.254,1337 5.202,1338 7.162,1339 0.311,1340 0.157,1341 7.162,1342 3.605,1343 5.292,1344 0.196,1345 0.088,1346 5.292,1347 2.373,1348 4.196,1349 0.127,1350 0.048,1351 4.196,1352 1.579,1353 3.036,1354 0.084,1355 0.027,1356 3.036,1357 0.97,1358 0.467,1359 51.791,1360 0.288,1361 17.24,1362 0.874,1363 82,1364 271.175,1365 89.953,1366 263.7,1367 347.26,1368 244,1369 91,1370 242.596,1371 97.849,1372 248.073,1373 351.01,1374 231,1375 5.796} {0 CHEMBL54803,1 1.368,2 7.235,3 2.014,4 4.057,5 67.198,6 7.443,7 0.842,8 3.507,9 3.631,10 3.103,11 3.106,12 4.598,13 3.079,14 4,15 4.177,16 3.39,17 3.476,18 5.009,19 3.423,20 4.184,21 4.406,22 3.293,23 3.552,24 5.058,25 3.442,26 4.175,27 4.411,28 3.142,29 3.48,30 5.014,31 3.341,32 4.144,33 4.413,34 2.99,35 3.346,36 4.946,37 3.195,38 3.944,39 4.214,40 2.901,41 3.156,42 4.792,43 3.027,44 3.742,45 3.995,46 2.816,47 2.996,48 4.69,49 2.893,50 3.519,51 3.79,52 2.442,53 2.669,54 4.507,55 2.546,56 0.018,57 0.45,58 5.838,59 2.517,60 5.872,61 3.414,62 0.111,63 0.73,64 10.643,65 3.985,66 11.004,67 5.495,68 0.094,69 0.811,70 13.744,71 5.491,72 12.829,73 7.725,74 0.081,75 0.784,76 13.885,77 5.651,78 13.749,79 8.003,80 0.107,81 0.748,82 14.249,83 5.329,84 15.641,85 7.692,86 0.111,87 0.62,88 11.694,89 4.311,90 13.191,91 6.235,92 0.066,93 0.515,94 9.266,95 3.363,96 11.655,97 4.86,98 0.098,99 0.415,100 7.622,101 2.485,102 13.414,103 3.623,105 25,106 0.257,107 0.595,108 0.812,109 0.897,110 0.897,111 0.897,112 2.908,113 0.903,114 -3.25,115 -3.24,116 -3.11,118 46.7,120 1,124 1,140 5,141 2,143 2,144 1,149 1,156 1,168 7,171 1,172 4,180 8,186 4,194 7,198 5,206 5,210 3,218 1,221 1,222 4,234 2,246 1,247 2,270 313,271 11.983,272 11.983,273 11.983,274 11.983,275 11.983,276 10.075,277 6.55,278 7.356,279 12.231,280 9.415,281 9.415,282 9.415,283 9.415,284 9.415,285 6.657,286 3.971,287 3.499,288 9.799,289 3.539,290 1.738,291 0.587,292 0.133,293 0.133,294 0.133,295 3.593,299 1,300 1,301 271,302 2,305 41.639,306 75.449,310 64.752,313 1.073,314 5.851,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 35.5,326 123,327 4.494,328 3.112,329 6.506,330 4.022,331 3.032,332 4.43,334 10.196,335 3.001,336 3.921,337 2.645,338 5.374,339 3.457,340 2.54,341 3.48,343 7.036,344 2.331,345 3.5,346 2.232,347 5.173,348 3.066,349 2.095,350 2.901,352 6.183,353 2.03,354 3.118,355 1.618,356 4.169,357 2.614,358 1.618,359 2.427,361 3.807,362 1.612,363 2.774,364 1.397,365 3.613,366 2.284,367 1.336,368 1.907,370 2.927,371 1.267,372 2.681,373 1.271,374 3.529,375 2.235,376 1.26,377 1.743,379 2.76,380 1.224,381 2.379,382 1.03,383 3.307,384 1.906,385 0.948,386 1.329,388 2.168,389 0.906,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.728,400 0.458,401 2.901,402 1.405,403 0.438,404 0.552,406 1.011,407 0.423,408 1.029,409 -0.226,410 2.365,411 0.616,412 -0.361,413 -0.478,415 -0.886,416 -0.352,417 0.882,418 -0.618,419 2.143,420 0.357,421 -0.618,422 -0.927,424 -1.478,425 -0.6,426 0.523,427 -0.784,428 2,429 0.081,430 -0.886,431 -1.192,433 -2.184,434 -0.854,435 0.191,436 -1.108,437 1.749,438 -0.204,439 -1.166,440 -1.551,442 -2.725,443 -1.122,444 -0.094,445 -1.465,446 1.179,447 -0.584,448 -1.555,449 -2.063,451 -3.984,452 -1.468,453 -0.118,454 -1.618,455 1,456 -0.701,457 -1.618,458 -2.427,460 -4.372,461 -1.509,462 8.2,463 0.482,464 0.239,465 0.014,466 25.25,467 1.485,468 14,469 0.824,470 11.25,471 0.662,472 9.283,473 0.546,474 17,475 0.567,476 14.02,477 0.825,478 5.058,479 0.298,480 3.375,481 0.199,484 0.232,487 0.855,488 1.343,489 0.756,490 1.04,491 0.684,492 0.916,493 1.275,494 0.967,495 1,496 0.899,497 0.991,498 0.917,499 0.951,500 0.969,501 1.04,502 1.029,503 0.936,504 1.041,505 0.805,506 1.083,507 1.102,508 1.181,509 1.016,510 1.174,511 0.974,512 0.974,513 1.044,514 1.028,515 1.059,516 1.04,517 0.85,518 0.881,519 0.905,520 0.908,521 0.832,522 0.911,523 1.023,524 1.081,525 0.888,526 0.95,527 0.862,528 0.913,529 1.333,530 0.959,531 1.113,532 0.964,533 1.398,534 1.006,535 2,537 1.556,538 0.66,539 0.521,540 0.212,541 0.143,542 0.069,543 0.039,544 0.007,545 2588,546 6340,547 2.2,548 43.3,550 7,551 1,552 3,555 2,558 1.568,559 2.17,560 2.89,561 -0.807,563 1,564 1,565 1,567 41.043,568 1.368,569 3.169,570 4.32,571 4.774,572 4.774,573 4.774,574 2.257,575 3.617,576 4.063,577 2.999,578 407.91,579 6.858,580 3696.54,582 1,584 1,585 147.207,586 0.787,587 4.063,588 0.105,590 0.062,591 0.03,592 0.029,593 0.014,594 0.01,595 0.005,596 0.005,597 0.003,598 0.264,599 1,600 1,602 70.254,603 0.048,604 -0.265,605 0.076,606 -0.098,607 0.127,608 -0.025,609 -0.107,610 0.122,611 -0.102,612 0.019,613 -0.087,614 -0.03,615 -0.123,616 -0.006,617 -0.108,618 -0.049,619 -0.103,620 -0.072,621 -0.06,622 -0.16,623 -0.158,624 -0.189,625 -0.152,626 -0.184,627 -0.07,628 -0.056,629 -0.047,630 -0.045,631 -0.126,632 -0.044,633 0.132,634 0.052,635 0.104,636 0.068,637 0.095,638 0.081,639 0.011,640 -0.125,641 0.106,642 0.011,643 0.197,644 0.058,645 0.024,646 0.044,647 -0.082,648 -0.047,649 0.037,650 -0.07,651 0.601,652 1.368,653 0.882,654 9.848,655 0.991,656 1.119,657 2.018,658 4.072,659 0.694,660 2.996,661 3.258,662 3.526,663 3.761,664 3.871,665 3.829,666 3.912,667 3.97,668 4.007,669 3.784,670 4.533,671 0.657,672 223.3,673 2.996,674 4.489,675 5.323,676 6.172,677 7.02,678 7.875,679 8.729,680 9.586,681 10.442,682 11.301,683 10,691 1,693 2,698 2,699 9,700 2,704 1,705 1,706 16,724 30,726 16,727 1,728 19,730 32,731 14,733 12,734 3,735 3,739 3,740 4,751 1,753 12,754 2,769 1,772 13,773 2,775 3,778 1,779 3,784 0.667,795 1,801 1,802 2,806 1,832 2,840 17,846 2,869 7.833,870 5.35,871 3.806,872 1.789,874 3.066,875 1.485,876 1.025,877 2.684,878 9.394,879 3.332,880 3.946,881 4.573,882 5.166,883 5.596,884 5.794,885 6.173,886 6.54,887 6.908,888 6.716,889 0.8,890 22,891 6.238,893 2.578,894 7.5,895 12.183,897 9.892,899 2,900 34,901 0.003,904 153.024,905 95.685,906 35.47,911 95.685,912 153.024,913 35.47,915 4.64,916 56.429,917 77.503,918 27.897,919 11.771,920 105.94,922 153.024,923 131.155,927 129.482,928 23.542,931 35.397,932 62.187,933 33.571,935 153.024,936 35.47,937 95.685,940 153.024,941 12.543,942 85.041,944 33.571,945 153.024,946 35.47,947 95.685,949 0.563,950 0.332,951 0.186,952 0.088,953 13,954 4,955 0.094,956 3,957 1,958 1.133,959 3.108,960 117.586,961 0.133,962 15,963 67.487,968 10.185,969 4.481,970 2.103,971 2.311,972 33.571,973 17.892,974 8.415,978 1.337,979 2.092,981 284.179,982 27,994 29.723,995 33.571,996 0.279,997 0.646,998 0.88,999 0.973,1000 0.973,1001 0.973,1002 4.5,1003 0.618,1004 5.252,1005 2.168,1006 3.932,1007 4.63,1009 5.999,1010 3.861,1011 5.687,1012 0.438,1013 6.758,1014 1.372,1015 3.219,1016 4.227,1018 6.783,1019 3.126,1020 6.97,1021 -0.361,1022 8.372,1023 1.011,1024 5.442,1025 6.877,1027 9.897,1028 5.315,1029 8.299,1030 -0.618,1031 10.055,1032 -0.886,1033 5.673,1034 7.453,1036 11.613,1037 5.533,1038 9.665,1039 -0.886,1040 11.787,1041 -1.478,1042 7.249,1043 9.434,1045 14.198,1046 7.086,1047 11.058,1048 -1.166,1049 13.551,1050 -2.184,1051 7.933,1052 10.481,1054 16.275,1055 7.768,1056 12.473,1057 -1.555,1058 15.339,1059 -2.725,1060 9.232,1061 12.178,1063 18.691,1064 9.051,1065 3.032,1066 -1.618,1067 17.145,1068 -3.984,1069 10.134,1070 13.456,1072 20.913,1073 9.956,1074 2.54,1075 10.196,1076 18.964,1077 -4.372,1078 11.315,1079 15.03,1081 23.271,1082 11.128,1083 2.095,1084 7.036,1085 20.793,1086 4.43,1087 12.322,1088 16.419,1090 25.55,1091 12.137,1092 1.618,1093 6.183,1094 22.631,1095 3.48,1096 13.454,1097 17.941,1099 27.887,1100 13.262,1101 1.336,1102 3.807,1103 24.475,1104 2.901,1105 14.511,1106 19.382,1108 30.19,1109 14.319,1110 1.26,1111 2.927,1112 26.324,1113 2.427,1114 15.624,1115 20.883,1117 32.518,1118 15.427,1119 0.948,1120 2.76,1121 28.177,1122 1.907,1123 16.705,1124 22.348,1126 34.832,1127 16.506,1128 2466,1129 3931,1130 13.405,1131 20.824,1132 27.844,1133 27.739,1134 27.776,1135 27.751,1136 27.769,1137 39.39,1139 74.92,1140 26.742,1141 5.329,1142 5.112,1143 6.195,1144 5.06,1145 5.032,1146 7.43,1148 16.977,1149 5.001,1151 1.465,1152 1.46,1153 1.462,1154 1.461,1155 1.462,1156 2.073,1158 3.943,1159 1.407,1160 4.084,1161 4.116,1162 4.039,1163 4.017,1164 5.001,1165 4.018,1166 3.9,1167 3.965,1168 3.841,1169 3.693,1170 4.942,1171 3.722,1172 3.479,1173 3.532,1174 3.378,1175 3.374,1176 4.386,1177 3.368,1178 3.28,1179 3.347,1180 3.134,1181 3.155,1182 4.003,1183 3.142,1184 2.876,1185 2.948,1186 2.754,1187 2.709,1188 3.769,1189 2.709,1190 2.664,1191 2.722,1192 2.538,1193 2.572,1194 3.416,1195 2.557,1196 2.518,1197 2.621,1198 2.319,1199 2.32,1200 3.377,1201 2.306,1202 2.437,1203 2.544,1204 2.243,1205 2.204,1206 3.292,1207 2.2,1208 0.237,1209 0.164,1210 0.342,1211 0.212,1212 0.16,1213 4.494,1214 0.233,1215 3.112,1217 6.506,1218 0.537,1219 4.022,1220 0.158,1221 3.032,1222 4.43,1224 10.196,1225 3.001,1226 2.05,1227 2.026,1228 2.134,1229 2.131,1230 1.319,1231 2.134,1232 1.633,1233 1.567,1234 1.821,1235 1.852,1236 1.022,1237 1.845,1238 1.444,1239 1.396,1240 1.627,1241 1.582,1242 0.657,1243 1.6,1244 1.307,1245 1.242,1246 1.498,1247 1.526,1248 0.54,1249 1.517,1250 1.137,1251 1.07,1252 1.348,1253 1.34,1254 0.345,1255 1.359,1256 0.786,1257 0.708,1258 1.06,1259 1.008,1260 0.13,1261 1.03,1262 0.687,1263 0.635,1264 0.948,1265 0.838,1266 0.059,1267 0.878,1268 0.4,1269 0.295,1270 0.836,1271 0.692,1273 0.748,1274 3.664,1276 4.934,1277 2.398,1278 6.412,1279 4.443,1280 7.989,1281 6.26,1282 9.619,1290 1.952,1300 19.698,1301 41.043,1302 95.068,1303 129.597,1304 143.207,1305 143.207,1306 143.207,1307 14.901,1308 6.328,1309 30.71,1310 30.71,1311 17,1312 11.853,1313 4.087,1314 3.17,1315 23.77,1316 45,1317 39,1318 0.258,1319 122.774,1320 195.5,1321 291.329,1322 4196,1324 11.502,1325 0.677,1326 0.556,1327 11.502,1328 9.452,1329 8.433,1330 0.444,1331 0.301,1332 5.656,1333 8.186,1334 5.538,1335 4.6,1336 8.433,1337 5.717,1338 7.127,1339 0.285,1340 0.162,1341 7.127,1342 4.038,1343 6.144,1344 0.186,1345 0.089,1346 6.144,1347 2.935,1348 5.179,1349 0.123,1350 0.049,1351 5.179,1352 2.054,1353 3.794,1354 0.081,1355 0.028,1356 3.794,1357 1.312,1358 0.394,1359 52.162,1360 0.273,1361 17.175,1362 0.73,1363 88,1364 222.935,1365 93.245,1366 223.731,1367 314.91,1368 212,1369 102,1370 237.394,1371 107.856,1372 244.036,1373 351.47,1374 230,1375 5.921} {0 CHEMBL55083,1 1.46,2 6.688,3 1.965,4 3.863,5 63.302,6 7.143,7 0.556,8 3.516,9 3.632,10 3.076,11 3.062,12 4.539,13 3.04,14 4.059,15 4.237,16 3.379,17 3.46,18 4.992,19 3.407,20 4.231,21 4.457,22 3.195,23 3.506,24 5.016,25 3.38,26 4.196,27 4.432,28 3.073,29 3.423,30 4.992,31 3.278,32 4.119,33 4.392,34 2.834,35 3.216,36 4.832,37 3.054,38 3.916,39 4.189,40 2.845,41 3.057,42 4.682,43 2.938,44 3.774,45 4.025,46 2.777,47 2.971,48 4.667,49 2.868,50 3.587,51 3.849,52 2.316,53 2.588,54 4.502,55 2.444,56 0.013,57 0.437,58 6.46,59 2.762,60 5.403,61 3.697,62 0.123,63 0.719,64 12.228,65 4.601,66 10.745,67 6.27,68 0.127,69 0.773,70 15.281,71 6.087,72 12.588,73 8.395,74 0.103,75 0.742,76 14.808,77 5.873,78 14.078,79 8.225,80 0.139,81 0.665,82 14.401,83 5.097,84 13.574,85 7.362,86 0.169,87 0.556,88 11.775,89 3.953,90 11.017,91 5.821,92 0.083,93 0.498,94 9.821,95 3.369,96 11.386,97 4.911,98 0.147,99 0.377,100 8.539,101 2.674,102 14.468,103 3.86,105 24,106 0.278,107 0.671,108 0.859,109 0.884,110 0.884,111 0.884,112 2.853,113 0.941,114 -3.15,115 -3.14,116 -3.02,118 43.3,120 3,124 1,133 1,134 1,140 1,141 1,143 1,149 2,150 1,156 1,168 6,171 1,172 4,180 7,186 3,194 6,198 5,206 2,210 3,221 1,222 3,234 2,246 1,247 1,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.811,277 12.877,278 6.856,279 11.461,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.77,286 15.06,287 3.252,288 9.199,289 3.447,290 1.384,291 0.4,292 0.267,293 0.267,294 0.267,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 6.84,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 107,327 4.397,328 3.2,329 6.512,330 4.046,331 3.047,332 4.01,333 0.522,334 10.216,335 3.045,336 3.926,337 2.706,338 5.374,339 3.459,340 2.541,341 3.485,343 7.037,344 2.338,345 3.515,346 2.342,347 5.172,348 3.081,349 2.087,350 2.795,352 6.181,353 2.068,354 2.756,355 1.67,356 4.128,357 2.548,358 1.548,359 1.817,361 3.687,362 1.548,363 2.665,364 1.522,365 3.557,366 2.25,367 1.311,368 1.721,370 2.841,371 1.23,372 2.387,373 1.046,374 3.405,375 2,376 1,377 1.33,379 2.235,380 1,381 2.171,382 0.914,383 3.237,384 1.769,385 0.79,386 1.055,388 1.907,389 0.772,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.509,400 0.531,401 2.829,402 1.297,403 0.316,404 0.369,406 0.749,407 0.309,408 0.831,409 -0.321,410 2.352,411 0.515,412 -0.466,413 -0.56,415 -1.154,416 -0.456,417 0.21,418 -0.702,419 2.07,421 -1,422 -1.113,424 -2.424,425 -1,426 0.148,427 -0.926,428 1.674,429 -0.135,430 -1.086,431 -1.268,433 -2.63,434 -1.032,435 -0.087,436 -1.469,437 1.497,438 -0.579,439 -1.567,440 -2.026,442 -3.963,443 -1.469,444 -0.118,445 -1.589,446 1,447 -0.669,448 -1.618,449 -2.301,451 -4.372,452 -1.533,453 -0.213,454 -1.618,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.619,462 7.633,463 0.477,464 0.239,465 0.015,466 20.25,467 1.266,468 9.5,469 0.594,470 10.75,471 0.672,472 10.573,473 0.661,474 16.967,475 0.566,476 10.636,477 0.665,478 3.951,479 0.247,480 3.982,481 0.249,484 0.249,487 0.862,488 1.399,489 0.785,490 1.145,491 0.642,492 0.986,493 1.142,494 0.956,495 0.987,496 0.955,497 0.944,498 0.943,499 0.988,500 0.965,501 1.063,502 1.063,503 0.989,504 1.078,505 0.847,506 1.118,507 1.088,508 1.195,509 0.978,510 1.183,511 1.016,512 1.016,513 1.04,514 1.012,515 1.01,516 1.031,517 0.884,518 0.848,519 0.838,520 0.761,521 0.807,522 0.788,523 0.96,524 0.996,525 0.946,526 0.953,527 0.975,528 0.933,529 1.377,530 1.068,531 1.201,532 1.089,533 1.564,534 1.122,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 5248,547 2.213,548 46.7,549 4,550 4,551 2,552 2,554 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,564 1,565 1,567 43.798,568 1.46,569 3.523,570 4.507,571 4.64,572 4.64,573 4.64,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,582 1,584 1,585 147.207,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.021,604 -0.268,605 0.089,606 -0.119,607 0.192,608 -0.025,609 -0.075,610 0.141,611 -0.055,612 0.017,613 -0.02,614 -0.007,615 -0.104,616 -0.021,617 -0.123,618 -0.059,619 -0.136,620 -0.088,621 -0.05,622 -0.188,623 -0.151,624 -0.199,625 -0.108,626 -0.191,627 -0.08,628 -0.111,629 -0.054,630 -0.057,631 -0.119,632 -0.056,633 0.11,634 0.096,635 0.163,636 0.179,637 0.096,638 0.174,639 -0.047,640 -0.003,641 0.028,642 -0.014,643 0.076,644 0.019,645 0.063,646 -0.142,647 -0.165,648 -0.187,649 -0.033,650 -0.205,651 0.611,652 1.963,653 0.875,654 8.625,655 0.994,656 1.123,657 1.917,658 3.674,659 0.668,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.631,672 214.29,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 6.7,691 1,693 1,699 5,700 1,702 1,704 2,705 1,706 10,724 30,726 11,728 18,730 32,731 13,733 7,736 2,739 3,740 4,748 3,751 3,753 9,754 4,756 1,763 1,765 1,769 1,771 1,772 14,773 2,775 3,778 1,779 2,784 0.667,785 1,801 2,802 1,805 1,822 1,823 1,832 2,840 16,846 4,862 3.3,867 1,869 7.333,870 5.317,871 3.556,872 1.894,874 2.238,875 1.362,876 1.013,877 2.564,878 8.42,879 3.219,880 3.773,881 4.327,882 4.855,883 4.895,884 5.188,885 5.496,886 5.814,887 6.042,888 6.236,889 1,890 19,891 5.898,893 2.461,894 7.469,895 11.651,897 9.657,899 1.969,900 31.5,901 0.006,904 164.795,905 78.935,906 18.685,908 9.507,911 78.935,912 174.303,913 18.685,915 9.709,916 39.739,917 48.946,918 26.825,919 28.991,920 117.711,922 164.795,923 97.619,924 9.507,927 164.795,928 9.507,931 29.274,932 42.083,933 26.262,935 164.795,936 28.192,937 78.935,940 164.795,941 21.529,942 59.305,944 26.293,945 164.795,946 28.192,947 78.935,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.063,956 2,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,968 9.761,969 4.202,970 1.952,972 26.293,973 9.504,974 4.035,976 5.463,978 2.439,979 2.071,981 271.922,982 24,989 2.273,991 1.406,994 29.833,995 33.697,996 0.298,997 0.718,998 0.918,999 0.946,1000 0.946,1001 0.946,1002 4.413,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.454,1008 0.434,1009 5.979,1010 3.839,1011 5.583,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 3.98,1018 6.783,1019 3.152,1020 6.861,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.573,1026 0.138,1027 9.892,1028 5.326,1029 8.184,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 7.099,1036 11.626,1037 5.614,1038 9.544,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 8.972,1044 0.039,1045 14.203,1046 7.138,1047 10.93,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 9.946,1054 16.29,1055 7.875,1056 12.334,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 11.527,1062 0.011,1063 18.703,1064 9.144,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 12.712,1072 20.93,1073 10.088,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 14.171,1080 0.003,1081 23.288,1082 11.258,1083 2.087,1084 7.037,1085 20.801,1086 4.01,1087 12.373,1088 15.457,1090 25.571,1091 12.295,1092 1.548,1093 6.181,1094 22.64,1095 3.485,1096 13.501,1097 16.865,1098 0.001,1099 27.909,1100 13.427,1101 1.311,1102 3.687,1103 24.486,1104 2.795,1105 14.57,1106 18.198,1108 30.215,1109 14.506,1110 1,1111 2.841,1112 26.336,1113 1.817,1114 15.684,1115 19.587,1117 32.544,1118 15.625,1119 0.79,1120 2.235,1121 28.191,1122 1.721,1123 16.774,1124 20.944,1126 34.861,1127 16.722,1128 2117,1129 3323,1130 12.712,1131 20.034,1132 26.886,1133 26.66,1134 26.431,1135 26.508,1136 26.513,1137 35.016,1138 1.043,1139 72.45,1140 25.775,1141 5.339,1142 5.121,1143 6.145,1144 5.086,1145 5.047,1146 6.733,1147 1.043,1148 16.997,1149 5.045,1151 1.494,1152 1.481,1153 1.468,1154 1.473,1155 1.473,1156 1.945,1157 0.058,1158 4.025,1159 1.432,1160 4.036,1161 4.066,1162 3.979,1163 3.925,1164 5.066,1165 3.933,1166 3.887,1167 3.942,1168 3.83,1169 3.68,1170 4.952,1171 3.711,1172 3.472,1173 3.514,1174 3.356,1175 3.317,1176 4.277,1177 3.32,1178 3.292,1179 3.36,1180 3.128,1181 3.165,1182 3.845,1183 3.147,1184 2.845,1185 2.94,1186 2.643,1187 2.654,1188 3.586,1189 2.635,1190 2.539,1191 2.63,1192 2.342,1193 2.371,1194 3.358,1195 2.353,1196 2.456,1197 2.556,1198 2.255,1199 2.259,1200 3.252,1201 2.245,1202 2.203,1203 2.275,1204 2.041,1205 1.87,1206 3.116,1207 1.889,1208 0.244,1209 0.178,1210 0.362,1211 0.225,1212 0.169,1213 4.397,1214 0.223,1215 3.2,1216 0.029,1217 6.512,1218 0.568,1219 4.046,1220 0.169,1221 3.047,1222 4.01,1223 0.522,1224 10.216,1225 3.045,1226 1.887,1227 1.855,1228 2.04,1229 2,1230 1.353,1231 2.014,1232 1.577,1233 1.513,1234 1.772,1235 1.802,1236 0.992,1237 1.796,1238 1.391,1239 1.358,1240 1.574,1241 1.597,1242 0.669,1243 1.582,1244 1.301,1245 1.236,1246 1.485,1247 1.526,1248 0.598,1249 1.515,1250 1.115,1251 1.057,1252 1.354,1253 1.296,1254 0.448,1255 1.323,1256 1.043,1257 1,1258 1.266,1259 1.283,1260 0.285,1261 1.283,1262 0.667,1263 0.57,1264 1.036,1265 0.946,1266 0.14,1267 0.989,1268 0.167,1269 0.039,1270 0.672,1271 0.519,1273 0.581,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 4.308,1300 18.918,1301 43.798,1302 105.697,1303 135.207,1304 139.207,1305 139.207,1306 139.207,1307 14.453,1308 6.182,1309 30.96,1310 30.96,1311 16,1312 11.846,1313 3.585,1314 2.807,1315 21.891,1316 41,1317 34,1318 0.263,1319 116.239,1320 192.17,1321 275.382,1322 3422,1324 10.795,1325 0.675,1326 0.568,1327 10.795,1328 9.095,1329 7.933,1330 0.441,1331 0.314,1332 5.573,1333 7.623,1334 5.472,1335 4.519,1336 7.933,1337 5.648,1338 6.774,1339 0.282,1340 0.171,1341 6.774,1342 4.1,1343 5.894,1344 0.184,1345 0.095,1346 5.894,1347 3.049,1348 5.008,1349 0.122,1350 0.054,1351 5.008,1352 2.217,1353 3.26,1354 0.08,1355 0.034,1356 3.26,1357 1.387,1358 0.402,1359 49.617,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 223.026,1365 91.068,1366 214.686,1367 300.81,1368 204,1369 98,1370 227.293,1371 105.679,1372 229.157,1373 331.84,1374 216,1375 5.45} {0 CHEMBL55144,1 1.434,2 6.688,3 2.08,4 4.328,5 62.605,6 6.76,7 0.556,8 3.57,9 3.694,10 3.084,11 3.097,12 4.53,13 3.065,14 4.152,15 4.339,16 3.394,17 3.522,18 5.004,19 3.452,20 4.393,21 4.642,22 3.221,23 3.603,24 5.065,25 3.452,26 4.401,27 4.661,28 3.112,29 3.548,30 5.085,31 3.376,32 4.326,33 4.621,34 2.874,35 3.347,36 4.978,37 3.155,38 4.053,39 4.35,40 2.858,41 3.124,42 4.776,43 2.983,44 3.794,45 4.051,46 2.777,47 2.979,48 4.676,49 2.872,50 3.587,51 3.849,52 2.316,53 2.588,54 4.502,55 2.444,56 0.021,57 0.469,58 7.443,59 3.037,60 6.094,61 4.233,62 0.133,63 0.78,64 14.104,65 5.221,66 10.979,67 7.394,68 0.154,69 0.88,70 18.406,71 7.063,72 12.677,73 10.094,74 0.151,75 0.868,76 18.683,77 7.024,78 14.078,79 10.145,80 0.184,81 0.768,82 17.786,83 6.026,84 16.023,85 8.995,86 0.191,87 0.603,88 13.542,89 4.348,90 12.865,91 6.668,92 0.086,93 0.494,94 10.117,95 3.359,96 11.788,97 5.062,98 0.148,99 0.362,100 8.497,101 2.549,102 14.273,103 3.822,105 24,106 0.271,107 0.624,108 0.831,109 0.887,110 0.887,111 0.887,112 2.853,113 0.992,114 -3.23,115 -3.22,116 -3.09,118 40.6,120 4,121 1,124 1,140 1,141 1,143 1,149 2,150 1,156 1,168 6,171 1,172 4,180 7,186 3,194 6,198 5,206 2,210 3,221 1,222 3,234 2,246 1,247 1,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 10.057,277 11.664,278 6.856,279 11.461,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 7.122,286 7.968,287 3.252,288 9.199,289 3.566,290 1.701,291 0.61,292 0.313,293 0.313,294 0.313,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 6.777,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 107,327 4.328,328 3.275,329 6.512,330 4.046,331 3.047,332 3.907,334 10.216,335 3.045,336 3.92,337 2.648,338 5.374,339 3.459,340 2.541,341 3.478,343 7.037,344 2.338,345 3.254,346 2.275,347 5.172,348 3.081,349 2.087,350 2.348,352 6.181,353 2.068,354 2.756,355 1.655,356 4.128,357 2.548,358 1.548,359 1.817,361 3.687,362 1.548,363 2.664,364 1.387,365 3.557,366 2.25,367 1.311,368 1.72,370 2.841,371 1.23,372 2.353,373 1.048,374 3.405,375 2,376 1,377 1.31,379 2.235,380 1,381 2.118,382 0.803,383 3.237,384 1.769,385 0.79,386 0.971,388 1.907,389 0.772,390 2.054,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.505,400 0.345,401 2.829,402 1.297,403 0.316,404 0.368,406 0.749,407 0.309,408 0.657,409 -0.337,410 2.352,411 0.515,412 -0.466,413 -0.512,415 -1.154,416 -0.456,417 0.209,418 -0.776,419 2.07,421 -1,422 -1.112,424 -2.424,425 -1,426 0.126,427 -0.892,428 1.674,429 -0.135,430 -1.086,431 -1.221,433 -2.63,434 -1.032,435 -0.112,436 -1.514,437 1.497,438 -0.579,439 -1.567,440 -1.828,442 -3.963,443 -1.469,444 -0.118,445 -1.618,446 1,447 -0.669,448 -1.618,449 -2.027,451 -4.372,452 -1.533,453 -0.328,454 -1.64,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.619,462 7.633,463 0.477,464 0.239,465 0.015,466 18.75,467 1.172,468 8,469 0.5,470 10.75,471 0.672,472 12.035,473 0.752,474 17.567,475 0.549,476 9.174,477 0.573,478 3.377,479 0.211,480 4.555,481 0.285,484 0.249,487 0.861,488 1.463,489 0.841,490 1.214,491 0.611,492 1.053,493 1.096,494 1.034,495 1.031,496 1.043,497 0.879,498 1.024,499 0.928,500 0.972,501 1.05,502 1.063,503 0.921,504 1.075,505 0.909,506 1.085,507 1.093,508 1.158,509 1.009,510 1.156,511 1.057,512 0.963,513 1.023,514 0.966,515 1.063,516 0.991,517 0.86,518 0.79,519 0.794,520 0.705,521 0.836,522 0.733,523 0.978,524 1.004,525 0.923,526 0.94,527 1.001,528 0.913,529 1.435,530 1.101,531 1.2,532 1.1,533 1.643,534 1.123,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 4957,547 2.213,548 50,549 5,550 3,551 2,552 2,554 2,555 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,564 1,565 1,567 45.894,568 1.434,569 3.299,570 4.39,571 4.688,572 4.688,573 4.688,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,582 1,584 1,585 160,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.033,604 -0.267,605 0.094,606 -0.115,607 0.252,608 -0.021,609 -0.055,610 0.088,611 -0.068,612 -0.026,613 0.035,614 -0.042,615 -0.085,616 -0.019,617 -0.106,618 -0.057,619 -0.128,620 -0.08,621 -0.065,622 -0.157,623 -0.147,624 -0.168,625 -0.154,626 -0.169,627 -0.086,628 -0.078,629 -0.048,630 -0.032,631 -0.13,632 -0.038,633 0.113,634 0.134,635 0.195,636 0.212,637 0.098,638 0.211,639 -0.038,640 0.005,641 0.052,642 0.005,643 0.112,644 0.041,645 0.075,646 -0.164,647 -0.172,648 -0.209,649 0.002,650 -0.222,651 0.662,652 2.004,653 0.875,654 8.625,655 0.991,656 1.129,657 2.003,658 4.011,659 0.65,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.608,672 216.31,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 6.3,691 1,693 1,699 5,700 1,702 1,704 2,705 1,706 10,724 32,726 10,728 18,730 34,731 13,733 7,739 3,740 4,748 3,749 1,751 4,753 7,754 6,755 1,769 1,771 1,772 16,773 2,775 3,778 1,779 2,784 0.667,785 1,801 2,802 1,805 1,832 2,840 16,846 5,850 1,862 3.1,867 1,869 7.333,870 5.567,871 3.556,872 2.124,874 1.642,875 1.266,876 0.99,877 2.726,878 7.824,879 3.178,880 3.701,881 4.23,882 4.722,883 4.634,884 4.792,885 4.995,886 5.26,887 5.351,888 5.544,889 1,890 19,891 5.922,893 2.486,894 7.417,895 11.852,897 10.051,899 1.917,900 30.667,901 0.007,904 188.338,905 68.807,906 18.685,908 9.507,911 68.807,912 197.845,913 18.685,915 12.244,916 30.263,917 48.946,918 23.639,919 28.991,920 141.253,922 188.338,923 87.492,924 9.507,927 164.795,928 33.05,931 31.809,932 38.898,933 16.786,935 188.338,936 28.192,937 68.807,940 188.338,941 20.878,942 49.828,944 26.293,945 188.338,946 28.192,947 68.807,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.088,956 3,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,968 10.003,969 4.361,970 2.045,972 26.293,973 9.732,974 4.065,976 5.504,978 2.647,979 2.147,981 285.337,982 23,994 31.716,995 36.112,996 0.287,997 0.66,998 0.878,999 0.938,1000 0.938,1001 0.938,1002 4.376,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.382,1009 5.979,1010 3.839,1011 5.52,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 3.861,1018 6.783,1019 3.152,1020 6.784,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.452,1027 9.892,1028 5.326,1029 8.09,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 6.955,1036 11.626,1037 5.614,1038 9.436,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 8.819,1045 14.203,1046 7.138,1047 10.809,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 9.775,1054 16.29,1055 7.875,1056 12.201,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 11.343,1063 18.703,1064 9.144,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 12.508,1072 20.93,1073 10.088,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 13.949,1081 23.288,1082 11.258,1083 2.087,1084 7.037,1085 20.801,1086 3.907,1087 12.373,1088 15.21,1090 25.571,1091 12.295,1092 1.548,1093 6.181,1094 22.64,1095 3.478,1096 13.501,1097 16.597,1099 27.909,1100 13.427,1101 1.311,1102 3.687,1103 24.486,1104 2.348,1105 14.57,1106 17.904,1108 30.215,1109 14.506,1110 1,1111 2.841,1112 26.336,1113 1.817,1114 15.684,1115 19.269,1117 32.544,1118 15.625,1119 0.79,1120 2.235,1121 28.191,1122 1.72,1123 16.774,1124 20.598,1126 34.861,1127 16.722,1128 2117,1129 3225,1130 12.712,1131 20.796,1132 26.904,1133 26.347,1134 26.431,1135 26.508,1136 26.513,1137 33.694,1139 72.45,1140 25.775,1141 5.278,1142 5.193,1143 6.145,1144 5.086,1145 5.047,1146 6.56,1148 16.997,1149 5.045,1151 1.495,1152 1.464,1153 1.468,1154 1.473,1155 1.473,1156 1.872,1158 4.025,1159 1.432,1160 4.037,1161 4.07,1162 3.969,1163 3.918,1164 5.056,1165 3.924,1166 3.895,1167 3.951,1168 3.836,1169 3.687,1170 4.95,1171 3.717,1172 3.481,1173 3.526,1174 3.347,1175 3.317,1176 4.111,1177 3.317,1178 3.322,1179 3.4,1180 3.135,1181 3.178,1182 3.824,1183 3.158,1184 2.904,1185 2.996,1186 2.699,1187 2.715,1188 3.594,1189 2.696,1190 2.569,1191 2.671,1192 2.35,1193 2.388,1194 3.35,1195 2.366,1196 2.467,1197 2.567,1198 2.259,1199 2.277,1200 3.215,1201 2.26,1202 2.265,1203 2.384,1204 2.08,1205 1.973,1206 3.114,1207 1.971,1208 0.24,1209 0.182,1210 0.362,1211 0.225,1212 0.169,1213 4.328,1214 0.217,1215 3.275,1217 6.512,1218 0.568,1219 4.046,1220 0.169,1221 3.047,1222 3.907,1224 10.216,1225 3.045,1226 1.893,1227 1.854,1228 2.072,1229 2.02,1230 1.455,1231 2.039,1232 1.599,1233 1.532,1234 1.809,1235 1.822,1236 1.101,1237 1.819,1238 1.395,1239 1.361,1240 1.587,1241 1.606,1242 0.742,1243 1.593,1244 1.306,1245 1.241,1246 1.498,1247 1.526,1248 0.611,1249 1.517,1250 1.148,1251 1.076,1252 1.39,1253 1.365,1254 0.493,1255 1.386,1256 1.052,1257 1.011,1258 1.295,1259 1.283,1260 0.348,1261 1.29,1262 0.75,1263 0.657,1264 1.102,1265 1.02,1266 0.205,1267 1.062,1268 0.27,1269 0.128,1270 0.81,1271 0.632,1273 0.702,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 5.901,1294 0.671,1300 19.445,1301 45.894,1302 105.582,1303 140.49,1304 150,1305 150,1306 150,1307 15.909,1308 6.182,1309 30.96,1310 30.96,1311 16,1312 11.846,1313 3.459,1314 2.585,1315 21.891,1316 41,1317 34,1318 0.263,1319 119.166,1320 194.81,1321 282.525,1322 3422,1324 10.795,1325 0.675,1326 0.581,1327 10.795,1328 9.302,1329 7.933,1330 0.441,1331 0.331,1332 5.878,1333 7.623,1334 5.782,1335 4.765,1336 7.933,1337 5.953,1338 6.774,1339 0.282,1340 0.187,1341 6.774,1342 4.477,1343 5.894,1344 0.184,1345 0.108,1346 5.894,1347 3.471,1348 5.008,1349 0.122,1350 0.064,1351 5.008,1352 2.606,1353 3.26,1354 0.08,1355 0.042,1356 3.26,1357 1.709,1358 0.402,1359 49.617,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 211.026,1365 91.068,1366 201.954,1367 282.46,1368 192,1369 98,1370 213.293,1371 105.679,1372 214.028,1373 309.43,1374 202,1375 5.996} {0 CHEMBL552591,1 1.434,2 8.941,3 2.356,4 5.55,5 66.908,6 6.112,7 0.294,8 3.701,9 3.844,10 3.062,11 3.144,12 4.717,13 3.088,14 4.272,15 4.495,16 3.363,17 3.523,18 5.283,19 3.422,20 4.567,21 4.832,22 3.231,23 3.684,24 5.369,25 3.517,26 4.7,27 5.002,28 3.197,29 3.727,30 5.436,31 3.515,32 4.652,33 4.977,34 2.949,35 3.571,36 5.368,37 3.337,38 4.368,39 4.686,40 2.799,41 3.31,42 5.101,43 3.102,44 4.178,45 4.478,46 2.71,47 3.154,48 4.983,49 2.97,50 4.042,51 4.336,52 2.615,53 3.011,54 4.881,55 2.842,56 0.038,57 0.527,58 9.566,59 3.622,60 8.336,61 5.321,62 0.23,63 0.81,64 16.836,65 5.757,66 36.91,67 8.762,68 0.248,69 0.95,70 22.133,71 7.391,72 32.849,73 11.291,74 0.219,75 0.999,76 24.541,77 8.475,78 36.531,79 13.003,80 0.283,81 0.884,82 23.501,83 7.191,84 40.196,85 11.495,86 0.207,87 0.662,88 17.636,89 5.548,90 30.302,91 8.692,92 0.18,93 0.562,94 14.756,95 4.541,96 26.633,97 7.111,98 0.168,99 0.488,100 12.958,101 3.832,102 27.181,103 6.049,104 25,105 22,106 0.265,107 0.534,108 0.705,109 0.792,110 0.837,111 0.837,112 2.904,113 1.098,114 -3.33,115 -3.31,116 -3.17,118 33.3,119 2,120 6,129 1,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 4,175 1,177 1,180 7,181 1,186 2,191 1,194 5,195 1,198 5,203 1,206 4,207 1,210 3,215 1,218 3,219 1,222 3,227 1,229 2,230 1,234 3,239 1,242 2,247 1,248 1,256 2,258 1,259 3,262 1,264 2,270 338,271 10.905,272 10.905,273 10.905,274 10.905,275 10.905,276 10.115,277 11.048,278 6.79,279 11.092,280 8.395,281 8.395,282 8.395,283 8.395,284 8.395,285 7.246,286 11.893,287 3.234,288 8.69,289 3.852,290 2.395,291 1.474,292 1.001,293 0.757,294 0.757,295 3.526,299 1,300 1,301 299,302 3.937,305 56.618,313 1.37,314 14.887,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 37,326 152,327 4.481,328 3.596,329 7.293,330 4.332,331 3.375,332 3.811,333 2.341,334 12.404,335 3.233,336 3.55,337 3.495,338 4.941,339 3.241,340 2.236,341 2.711,343 5.444,344 2.223,345 3.429,346 2.06,347 4.659,348 2.996,349 2.057,350 2.691,352 5.183,353 1.928,354 2.739,355 1.77,356 3.789,357 2.683,358 1.686,359 1.738,361 3.434,362 1.675,363 2.342,364 1.27,365 3.507,366 2.078,367 1.09,368 1.29,370 2.312,371 1.072,372 2.118,373 0.912,374 3.127,375 1.776,376 0.842,377 1.013,379 1.907,380 0.784,381 2.064,382 0.653,383 3,384 1.553,385 0.618,386 0.927,388 1.372,389 0.577,390 1.324,391 0.618,392 2.678,393 1.248,394 0.248,395 0.256,397 0.528,398 0.246,399 0.616,400 0.27,401 2.363,402 0.474,403 -0.533,404 -0.544,406 -1.203,407 -0.528,408 0.343,409 -0.309,410 2,412 -1,413 -1,415 -2,416 -0.963,417 0.064,418 -0.988,419 2,421 -1,422 -1.171,424 -2.874,425 -1,427 -1,428 1.347,429 -0.214,430 -1.195,431 -1.407,433 -2.977,434 -1.158,435 -0.118,436 -1.111,437 1,438 -0.344,439 -1.273,440 -1.508,442 -3,443 -1.228,444 -0.192,445 -1.553,446 1,447 -0.679,448 -1.618,449 -1.793,451 -4.13,452 -1.477,453 -0.581,454 -1.618,455 0.694,456 -0.705,457 -1.67,458 -1.98,460 -4.372,461 -1.655,462 7.967,463 0.469,464 0.478,465 0.028,466 15.75,467 0.926,468 5.5,469 0.324,470 10.25,471 0.603,472 16.478,473 0.969,474 20.833,475 0.534,476 8.48,477 0.499,478 2.643,479 0.155,480 5.379,481 0.316,482 0.209,483 0.063,484 0.113,487 0.811,488 1.681,489 1.02,490 1.433,491 0.72,492 1.283,493 0.511,494 1.279,495 0.939,496 1.194,497 0.334,498 1.13,499 0.946,500 1.041,501 1.173,502 1.108,503 0.814,504 1.158,505 0.58,506 1.054,507 0.909,508 1.073,509 0.59,510 1.05,511 0.767,512 0.879,513 0.977,514 0.931,515 0.691,516 0.97,517 0.796,518 0.853,519 0.872,520 0.876,521 0.791,522 0.885,523 0.965,524 0.926,525 0.967,526 0.936,527 0.967,528 0.949,529 1.104,530 0.932,531 1,532 0.923,533 1.139,534 0.941,535 4,536 0.046,537 2,538 0.903,539 0.615,540 0.247,541 0.178,542 0.103,543 0.13,544 0.065,545 2392,546 6626,547 1.856,548 56.4,549 8,551 1,552 2,553 1,554 2,555 8,558 1.56,559 1.714,560 3.134,561 -0.256,563 1,565 1,567 55.917,568 1.434,569 2.89,570 3.811,571 4.285,572 4.529,573 4.529,574 2.514,575 3.337,576 4.057,577 3.325,578 452.204,579 6.814,580 4395.04,582 1,584 1,585 206.131,586 1.545,587 3.984,588 0.235,589 0.008,590 0.091,591 0.05,592 0.036,593 0.021,594 0.016,595 0.01,596 0.014,597 0.006,598 0.488,599 0.67,600 1,601 2.655,602 73.247,603 -0.038,604 -0.27,605 0.011,606 -0.102,607 -0.035,608 -0.052,609 0.222,610 -0.067,611 0.049,612 -0.06,613 0.266,614 -0.036,615 -0.148,616 0.031,617 -0.211,618 -0.068,619 -0.087,620 -0.135,621 0.011,622 -0.111,623 -0.009,624 -0.066,625 -0.01,626 -0.046,627 -0.057,628 0.019,629 -0.061,630 -0.024,631 -0.051,632 -0.037,633 -0.025,634 0.024,635 0.048,636 0.049,637 -0.037,638 0.059,639 -0.073,640 -0.007,641 -0.018,642 0.005,643 -0.082,644 0.003,645 -0.102,646 -0.008,647 -0.031,648 0.005,649 -0.14,651 2.358,652 3.336,653 0.294,654 12.699,655 0.992,656 1.143,657 2.097,658 4.398,659 0.603,660 2.89,661 3.135,662 3.178,663 3.219,664 3.045,665 2.996,666 2.708,667 2.639,668 2.708,669 2.398,670 5.554,671 0.557,672 238.37,673 2.89,674 4.369,675 5.13,676 5.958,677 6.749,678 7.585,679 8.391,680 9.234,681 10.049,682 10.896,683 5.1,691 1,693 1,699 3,700 1,705 1,706 5,724 39,726 6,728 17,730 39,731 13,733 3,739 1,740 1,745 2,751 6,753 4,754 9,755 1,756 1,761 1,765 1,769 1,772 22,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,836 2,840 17,845 1,846 6,852 1,862 5.1,864 1,865 1,869 9.917,870 7.267,871 3.875,872 2.519,874 0.829,875 1.155,876 0.851,877 5.528,878 6.186,879 3.068,880 3.474,881 3.747,882 4.087,883 3.869,884 3.982,885 3.477,886 3.446,887 3.537,888 3.446,889 0.833,890 18,891 6.28,893 2.465,894 7.848,895 12.174,897 9.519,899 2.348,900 39.917,901 0.002,904 247.193,905 60.481,906 18.685,908 67.828,911 60.481,912 315.021,913 18.685,914 17.65,915 15.207,916 9.047,917 117.684,918 10.947,919 11.771,920 211.88,922 247.193,923 79.166,924 67.828,927 153.024,928 161.997,931 52.423,932 9.957,933 16.786,935 247.193,936 86.513,937 60.481,940 247.193,941 16.117,942 46.263,944 84.614,945 247.193,946 86.513,947 60.481,949 0.565,950 0.288,951 0.131,952 0.054,953 8,954 4,955 0.205,956 8,958 1,959 2.98,960 98.402,962 5,963 67.487,968 14.075,969 6.677,970 5.246,972 84.614,973 5.642,974 4.063,979 2.129,980 42.683,981 394.187,982 20.5,987 10.336,991 -0.691,994 38.694,995 44.567,996 0.271,997 0.547,998 0.721,999 0.811,1000 0.857,1001 0.857,1002 4.266,1003 0.248,1004 5.142,1005 1.372,1006 3.807,1007 4.151,1008 2.258,1009 5.932,1010 3.738,1011 5.433,1012 -0.533,1013 6.708,1014 0.528,1015 3.611,1016 3.922,1017 2.243,1018 7.345,1019 3.507,1020 6.722,1021 -1,1022 8.423,1023 -1.203,1024 5.451,1025 6.111,1026 3.628,1027 10.294,1028 5.303,1029 8.056,1030 -1,1031 10.237,1032 -2,1033 6.133,1034 6.738,1035 4.112,1036 12.534,1037 5.935,1038 9.432,1039 -1.195,1040 12.114,1041 -2.874,1042 7.527,1043 8.415,1044 5.201,1045 15.164,1046 7.289,1047 10.837,1048 -1.273,1049 14.032,1050 -2.977,1051 8.553,1052 9.418,1053 5.889,1054 17.607,1055 8.263,1056 12.263,1057 -1.618,1058 15.975,1059 -3,1060 9.817,1061 10.897,1062 6.849,1063 20.159,1064 9.487,1065 3.375,1066 -1.67,1067 17.934,1068 -4.13,1069 10.968,1070 12.078,1071 7.625,1072 22.655,1073 10.589,1074 2.236,1075 12.404,1076 19.902,1077 -4.372,1078 12.196,1079 13.475,1080 8.526,1081 25.185,1082 11.775,1083 2.057,1084 5.444,1085 21.878,1086 3.811,1087 13.389,1088 14.74,1089 9.342,1090 27.696,1091 12.922,1092 1.686,1093 5.183,1094 23.857,1095 2.711,1096 14.608,1097 16.103,1098 10.216,1099 30.217,1100 14.099,1101 1.09,1102 3.434,1103 25.839,1104 2.691,1105 15.816,1106 17.406,1107 11.051,1108 32.733,1109 15.262,1110 0.842,1111 2.312,1112 27.823,1113 1.738,1114 17.033,1115 18.755,1116 11.912,1117 35.252,1118 16.436,1119 0.618,1120 1.907,1121 29.807,1122 1.29,1123 18.246,1124 20.077,1125 12.755,1126 37.77,1127 17.606,1128 2576,1129 4356,1130 10.515,1131 23.534,1132 24.802,1133 24.691,1134 24.577,1135 24.287,1136 24.301,1137 28.875,1138 4.682,1139 65.169,1140 23.477,1141 5.425,1142 5.52,1143 7.105,1144 5.366,1145 5.357,1146 6.419,1147 3.925,1148 19.565,1149 5.181,1150 9.864,1151 1.459,1152 1.452,1153 1.446,1154 1.429,1155 1.429,1156 1.699,1157 0.275,1158 3.833,1159 1.381,1160 3.984,1161 4.047,1162 3.914,1163 3.812,1164 7.474,1165 3.826,1166 3.756,1167 3.813,1168 3.622,1169 3.606,1170 6.351,1171 3.601,1172 3.57,1173 3.624,1174 3.445,1175 3.402,1176 4.958,1177 3.403,1178 3.384,1179 3.442,1180 3.23,1181 3.191,1182 4.249,1183 3.189,1184 3.079,1185 3.144,1186 2.869,1187 2.827,1188 4.051,1189 2.829,1190 2.874,1191 3.009,1192 2.499,1193 2.618,1194 3.681,1195 2.57,1196 2.702,1197 2.797,1198 2.407,1199 2.402,1200 3.467,1201 2.396,1202 2.496,1203 2.595,1204 2.281,1205 2.309,1206 3.378,1207 2.291,1208 0.264,1209 0.212,1210 0.429,1211 0.255,1212 0.199,1213 4.481,1214 0.224,1215 3.596,1216 0.138,1217 7.293,1218 0.73,1219 4.332,1220 0.19,1221 3.375,1222 3.811,1223 2.341,1224 12.404,1225 3.233,1226 1.851,1227 1.794,1228 2.064,1229 2.015,1230 1.414,1231 2.032,1232 1.7,1233 1.644,1234 1.932,1235 1.886,1236 1.231,1237 1.902,1238 1.426,1239 1.371,1240 1.692,1241 1.656,1242 0.943,1243 1.663,1244 1.318,1245 1.254,1246 1.521,1247 1.529,1248 0.591,1249 1.527,1250 1.151,1251 1.069,1252 1.417,1253 1.426,1254 0.534,1255 1.423,1256 1.034,1257 0.963,1258 1.378,1259 1.332,1260 0.469,1261 1.345,1262 0.934,1263 0.804,1264 1.362,1265 1.239,1266 0.304,1267 1.308,1268 0.664,1269 0.578,1270 1.065,1271 1.027,1272 0.23,1273 1.046,1274 3.555,1276 4.812,1277 2.398,1278 6.232,1279 4.443,1280 7.74,1281 6.326,1282 9.303,1284 4.401,1289 8.514,1290 5.421,1296 0.1,1300 21.74,1301 55.917,1302 112.708,1303 148.647,1304 167.111,1305 176.621,1306 176.621,1307 38.636,1308 5.357,1309 55.12,1310 55.12,1311 5,1312 11.464,1313 2.807,1314 2.17,1315 38.589,1316 56,1317 51,1318 0.337,1319 140.876,1320 241.86,1321 335.498,1322 1080,1324 12.726,1325 0.749,1326 0.631,1327 12.726,1328 10.725,1329 8.022,1330 0.472,1331 0.366,1332 6.153,1333 7.698,1334 5.921,1335 5.012,1336 8.022,1337 6.225,1338 7.317,1339 0.333,1340 0.231,1341 7.317,1342 5.09,1343 4.813,1344 0.209,1345 0.136,1346 4.813,1347 3.133,1348 3.398,1349 0.142,1350 0.081,1351 3.398,1352 1.934,1353 1.912,1354 0.096,1355 0.055,1356 1.912,1357 1.091,1358 0.545,1359 50.337,1360 0.308,1361 17.868,1362 0.872,1363 78,1364 223.175,1365 86.619,1366 213.508,1367 274.94,1368 196,1369 84,1370 189.3,1371 91.015,1372 191.727,1373 266.86,1374 177,1375 7.046} {0 CHEMBL552887,1 1.456,2 8,3 2.143,4 4.594,5 53.613,6 6.664,7 0.429,8 3.415,9 3.537,10 2.85,11 2.926,12 4.525,13 2.88,14 3.928,15 4.119,16 3.058,17 3.252,18 5.085,19 3.149,20 4.198,21 4.459,22 2.899,23 3.315,24 5.078,25 3.153,26 4.125,27 4.404,28 2.699,29 3.185,30 4.945,31 2.994,32 4.017,33 4.307,34 2.594,35 3.025,36 4.869,37 2.848,38 3.816,39 4.088,40 2.485,41 2.845,42 4.753,43 2.694,44 3.614,45 3.87,46 2.365,47 2.646,48 4.657,49 2.522,50 3.367,51 3.63,52 2.353,53 2.379,54 4.566,55 2.311,56 0.022,57 0.382,58 6.517,59 2.841,60 7.071,61 3.827,62 0.148,63 0.582,64 11.362,65 4.474,66 33.902,67 6.357,68 0.173,69 0.662,70 15.418,71 5.508,72 35.538,73 7.972,74 0.142,75 0.591,76 14.325,77 5.174,78 31.363,79 7.535,80 0.159,81 0.518,82 13.026,83 4.301,84 31.719,85 6.405,86 0.14,87 0.426,88 10.66,89 3.425,90 27.975,91 5.058,92 0.127,93 0.346,94 8.737,95 2.672,96 24.072,97 3.925,98 0.054,99 0.268,100 6.731,101 1.984,102 13.932,103 2.994,104 11,105 16,106 0.289,107 0.608,108 0.734,109 0.813,110 0.84,111 0.84,112 2.726,113 1.049,114 -2.68,115 -2.7,116 -2.62,118 37.9,120 5,140 2,141 1,143 2,154 1,163 1,167 1,168 7,169 1,172 3,175 1,177 1,180 7,181 1,186 2,191 1,194 5,195 1,198 2,203 1,206 4,207 1,210 2,215 1,218 3,219 1,222 2,227 1,229 2,230 1,234 2,239 1,243 2,247 3,252 2,260 1,270 188,271 9.38,272 9.38,273 9.38,274 9.38,275 9.38,276 8.422,277 6.78,278 6.152,279 9.459,280 6.949,281 6.949,282 6.949,283 6.949,284 6.949,285 5.585,286 3.363,287 2.991,288 7.055,289 3.402,290 1.792,291 1.156,292 0.759,293 0.621,294 0.621,295 3.351,299 1,300 1,301 220,302 2.915,306 51.064,313 1.286,314 13.162,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 30.5,326 112,327 3.897,328 3.596,329 5.34,330 3.517,331 2.522,332 3.444,333 2.341,334 6.965,335 2.508,336 3.55,337 2.718,338 4.659,339 3.237,340 2.232,341 2.71,343 5.183,344 2.219,345 2.955,346 1.751,347 3.737,348 2.644,349 1.662,350 2.117,352 3.397,353 1.629,354 2.602,355 1.525,356 3.49,357 2.353,358 1.395,359 1.598,361 2.905,362 1.329,363 2.5,364 1.01,365 3.247,366 1.984,367 1,368 1.5,370 2.136,371 0.983,372 1.873,373 1,374 2.89,375 1.733,376 0.738,377 0.803,379 1.536,380 0.73,381 1.102,382 0.517,383 2.232,384 0.918,385 -0.079,386 -0.087,388 -0.173,389 -0.078,390 0.645,391 0.125,392 1.583,393 0.308,394 -0.688,395 -0.8,397 -1.47,398 -0.674,399 0.5,400 -0.414,401 1.555,402 -0.001,403 -1,404 -1.259,406 -2,407 -0.946,408 0.402,409 -0.991,410 1.075,411 -0.049,412 -1,413 -1.498,415 -2.347,416 -0.964,417 -0.037,418 -1,419 1,420 -0.197,421 -1.176,422 -1.5,424 -2.614,425 -1.188,426 -0.5,427 -1.407,428 0.767,429 -0.674,430 -1.669,431 -1.903,433 -4.077,434 -1.674,435 -0.584,436 -1.811,437 0.227,438 -0.939,439 -1.937,440 -2.124,441 -0.757,442 -4.652,443 -1.936,444 -0.904,445 -2,446 0.198,447 -1.035,448 -2,449 -3,450 -1.584,451 -4.789,452 -1.938,462 6.567,463 0.469,464 0.212,465 0.015,466 15.5,467 1.107,468 7.5,469 0.536,470 8,471 0.571,472 9.588,473 0.685,474 16.233,475 0.56,476 8.163,477 0.583,478 2.962,479 0.212,480 3.826,481 0.273,482 0.102,484 0.152,487 0.767,488 1.32,489 0.925,490 1.207,491 0.696,492 1.112,493 0.436,494 1.277,495 0.998,496 1.271,497 0.366,498 1.231,499 0.846,500 0.954,501 1.023,502 1.003,503 0.87,504 1.04,505 0.713,506 1.005,507 0.966,508 1.056,509 0.763,510 1.062,511 0.861,512 0.867,513 0.933,514 0.893,515 0.872,516 0.921,517 1.057,518 0.909,519 1.013,520 0.921,521 1.079,522 0.953,523 1.303,524 0.923,525 1.083,526 0.912,527 1.312,528 0.951,529 0.998,530 1.052,531 0.731,532 0.981,533 0.875,534 0.82,535 2,536 0.025,537 0.667,538 0.313,539 0.231,540 0.146,541 0.06,542 0.106,543 0.082,544 0.044,545 1460,546 4650,547 1.919,548 51.7,549 8,550 2,552 2,553 1,554 2,558 1.494,559 1.826,560 3.037,561 -0.235,565 1,567 42.224,568 1.456,569 3.066,570 3.702,571 4.099,572 4.237,573 4.237,574 2.503,575 3.093,576 3.78,577 3.166,578 288.139,579 6.236,580 2419.74,582 1,585 140.881,586 1.149,587 3.753,588 0.143,589 0.012,590 0.042,591 0.024,592 0.023,593 0.016,594 0.008,595 0.015,596 0.012,597 0.009,598 0.304,599 0.83,600 1,601 2.305,602 55.95,603 -0.062,604 -0.071,605 -0.012,606 -0.001,607 -0.031,608 -0.002,609 0.21,610 -0.151,611 -0.091,612 -0.178,613 0.249,614 -0.181,615 -0.083,616 -0.001,617 -0.095,618 -0.017,619 -0.087,620 -0.052,621 -0.02,622 -0.104,623 -0.049,624 -0.08,625 -0.051,626 -0.074,627 -0.053,628 0.026,629 0.011,630 0.035,631 -0.073,632 0.035,633 -0.107,634 0.007,635 -0.049,636 0.008,637 -0.134,638 -0.008,639 -0.168,640 0.008,641 -0.09,642 0.005,643 -0.175,644 -0.023,645 0.055,646 -0.117,647 0.264,648 -0.081,649 0.148,650 0.107,651 2.367,652 3.224,653 0.429,654 9.347,655 0.998,656 1.132,657 1.45,658 2.102,659 0.629,660 2.708,661 2.833,662 2.833,663 2.89,664 2.944,665 2.639,666 2.565,667 2.565,668 2.398,669 2.197,670 4.988,671 0.591,672 193.27,673 2.708,674 4.111,675 4.828,676 5.587,677 6.323,678 7.086,679 7.829,680 8.595,681 9.343,682 10.11,683 3.4,693 1,699 4,700 1,704 1,706 6,724 29,726 7,728 14,730 29,731 11,733 5,739 1,740 1,751 5,753 6,754 5,756 1,761 1,765 1,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 14,845 1,846 5,862 6.9,864 1,865 1,869 7.667,870 4.9,871 3.333,872 1.864,874 1.199,875 1.236,876 0.874,877 4.874,878 6.28,879 2.944,880 3.314,881 3.577,882 3.944,883 4.33,884 3.797,885 3.774,886 3.841,887 3.841,888 3.841,889 1,890 13,891 5.148,892 0.002,893 1.999,894 7.988,895 9.824,896 0.001,897 7.453,898 0.001,899 2.488,900 34.833,901 0.005,904 164.795,905 53.815,906 16.786,908 67.828,911 53.815,912 232.624,913 16.786,915 12.673,916 18.952,917 109.066,918 21.28,920 141.253,922 164.795,923 70.601,924 67.828,927 164.795,928 67.828,931 30.767,932 23.048,933 16.786,935 164.795,936 84.614,937 53.815,940 164.795,941 16.768,942 37.047,944 84.614,945 164.795,946 84.614,947 53.815,949 0.535,950 0.261,951 0.127,952 0.066,953 5,954 2,955 0.207,956 6,958 1,959 2.785,960 70.94,962 6,963 49.303,968 10.87,969 6.277,970 5.212,972 84.614,973 7.563,974 3.935,978 1.273,980 42.683,981 303.225,982 18,987 10.224,991 -0.7,994 28.942,995 32.824,996 0.3,997 0.631,998 0.762,999 0.844,1000 0.872,1001 0.872,1002 4.052,1003 -0.688,1004 4.691,1005 -0.173,1006 3.497,1007 3.989,1008 2.258,1009 5.209,1010 3.47,1011 5.143,1012 -1,1013 6.061,1014 -1.47,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.339,1021 -1,1022 7.522,1023 -2,1024 4.796,1025 5.873,1026 3.628,1027 8.45,1028 4.755,1029 7.565,1030 -1.176,1031 9.039,1032 -2.347,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.595,1038 8.82,1039 -1.669,1040 10.593,1041 -2.614,1042 6.319,1043 8.033,1044 5.201,1045 12.002,1046 6.267,1047 10.094,1048 -1.937,1049 12.174,1050 -4.077,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.526,1056 11.384,1057 -2,1058 13.776,1059 -4.652,1060 7.955,1061 10.322,1062 6.849,1063 15.711,1064 7.894,1065 2.522,1067 15.392,1068 -4.789,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.401,1074 2.232,1075 6.965,1076 17.02,1078 9.656,1079 12.676,1080 8.526,1081 19.504,1082 9.587,1083 1.662,1084 5.183,1085 18.656,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.247,1092 1.395,1093 3.397,1094 20.299,1095 2.71,1096 11.401,1097 15.067,1098 10.216,1099 23.34,1100 11.324,1101 1,1102 2.905,1103 21.947,1104 2.117,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.079,1110 0.738,1111 2.136,1112 23.6,1113 1.598,1114 13.176,1115 17.481,1116 11.912,1117 27.198,1118 13.09,1119 -0.079,1120 1.536,1121 25.255,1122 1.5,1123 13.981,1124 18.446,1125 12.755,1126 29.12,1127 13.905,1128 1572,1129 2858,1130 9.129,1131 18.245,1132 19.325,1133 19.614,1134 19.297,1135 19.107,1136 19.099,1137 24.345,1138 4.682,1139 44.244,1140 18.797,1141 4.801,1142 5.596,1143 5.142,1144 4.552,1145 4.522,1146 6.444,1147 3.925,1148 11.754,1149 4.447,1150 6.336,1151 1.38,1152 1.401,1153 1.378,1154 1.365,1155 1.364,1156 1.739,1157 0.334,1158 3.16,1159 1.343,1160 3.909,1161 3.953,1162 3.83,1163 3.814,1164 7.474,1165 3.812,1166 3.708,1167 3.757,1168 3.587,1169 3.56,1170 6.351,1171 3.555,1172 3.417,1173 3.461,1174 3.29,1175 3.209,1176 4.898,1177 3.218,1178 3.038,1179 3.093,1180 2.878,1181 2.779,1182 4.12,1183 2.797,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.83,1189 2.715,1190 2.661,1191 2.743,1192 2.468,1193 2.382,1194 3.674,1195 2.397,1196 2.36,1197 2.478,1198 2.049,1199 2.041,1200 3.424,1201 2.031,1202 2.106,1203 2.255,1204 1.792,1205 1.714,1206 2.899,1207 1.671,1208 0.278,1209 0.257,1210 0.381,1211 0.251,1212 0.18,1213 3.897,1214 0.246,1215 3.596,1216 0.167,1217 5.34,1218 0.498,1219 3.517,1220 0.179,1221 2.522,1222 3.444,1223 2.341,1224 6.965,1225 2.508,1226 1.886,1227 1.846,1228 2.05,1229 2.009,1230 1.362,1231 2.023,1232 1.692,1233 1.64,1234 1.901,1235 1.868,1236 1.089,1237 1.881,1238 1.365,1239 1.314,1240 1.623,1241 1.607,1242 0.794,1243 1.607,1244 0.963,1245 0.907,1246 1.266,1247 1.273,1248 0.429,1249 1.267,1250 0.886,1251 0.821,1252 1.181,1253 1.062,1254 0.218,1255 1.107,1256 0.598,1257 0.523,1258 0.954,1259 0.948,1260 0.066,1261 0.96,1262 0.338,1263 0.229,1264 0.77,1265 0.706,1267 0.743,1268 0.124,1270 0.685,1271 0.542,1273 0.604,1274 3.367,1276 4.533,1278 5.866,1280 7.276,1282 8.724,1289 8.422,1290 4.116,1300 17.139,1301 42.224,1302 88.907,1303 107.372,1304 118.881,1305 122.881,1306 122.881,1307 24.281,1308 5.081,1309 50.19,1310 50.19,1311 6,1312 10.74,1313 3,1314 2.322,1315 28.369,1316 42,1317 32,1318 0.334,1319 111.97,1320 193.62,1321 264.967,1322 794,1324 10.226,1325 0.73,1326 0.582,1327 10.226,1328 8.148,1329 6.788,1330 0.485,1331 0.35,1332 4.849,1333 6.561,1334 4.753,1335 3.987,1336 6.788,1337 4.895,1338 5.536,1339 0.346,1340 0.207,1341 5.536,1342 3.31,1343 3.619,1344 0.226,1345 0.132,1346 3.619,1347 2.105,1348 2.638,1349 0.155,1350 0.078,1351 2.638,1352 1.332,1353 1.922,1354 0.107,1355 0.046,1356 1.922,1357 0.83,1358 0.541,1359 42.381,1360 0.331,1361 15.042,1362 0.853,1363 60,1364 197.53,1365 65.816,1366 189.107,1367 239.67,1368 174,1369 62,1370 156.779,1371 65.99,1372 158.315,1373 219,1374 148,1375 6} {0 CHEMBL553274,1 1.359,2 8.188,3 2.626,4 6.894,5 63.443,6 6.881,7 0.588,8 3.499,9 3.634,10 3.009,11 3.066,12 4.574,13 3.02,14 4.033,15 4.234,16 3.257,17 3.429,18 4.93,19 3.339,20 4.273,21 4.539,22 3.182,23 3.51,24 5.092,25 3.37,26 4.242,27 4.513,28 3.056,29 3.44,30 5.067,31 3.281,32 4.153,33 4.444,34 2.763,35 3.269,36 4.937,37 3.077,38 3.951,39 4.247,40 2.637,41 3.073,42 4.756,43 2.897,44 3.736,45 4.013,46 2.533,47 2.903,48 4.633,49 2.75,50 3.551,51 3.83,52 2.418,53 2.726,54 4.538,55 2.575,56 0.024,57 0.459,58 6.659,59 2.748,60 7.684,61 3.934,62 0.095,63 0.727,64 12.129,65 4.665,66 9.19,67 6.796,68 0.122,69 0.832,70 16.207,71 5.929,72 18.804,73 8.847,74 0.114,75 0.794,76 15.757,77 5.784,78 19.945,79 8.644,80 0.123,81 0.698,82 14.657,83 5.156,84 20.951,85 7.798,86 0.1,87 0.568,88 11.986,89 4.179,90 17.731,91 6.344,92 0.085,93 0.474,94 9.534,95 3.204,96 14.997,97 4.894,98 0.08,99 0.391,100 7.873,101 2.845,102 12.556,103 4.249,104 8,105 21,106 0.257,107 0.606,108 0.789,109 0.876,110 0.876,111 0.876,112 2.85,113 1.003,114 -3.15,115 -3.14,116 -3.02,118 41.9,120 5,140 3,143 1,150 2,154 1,156 1,168 6,171 1,172 4,180 5,186 4,194 4,198 5,206 4,210 3,218 3,222 3,229 3,234 1,242 2,246 1,247 2,255 1,259 1,270 292,271 11.251,272 11.251,273 11.251,274 11.251,275 11.251,276 9.887,277 5.809,278 7.225,279 11.433,280 8.397,281 8.397,282 8.397,283 8.397,284 8.397,285 6.33,286 2.337,287 3.403,288 8.706,289 3.596,290 1.753,291 0.783,292 0.323,293 0.323,294 0.323,295 3.51,299 1,300 1,301 276,302 2.739,305 32.131,306 41.33,309 61.614,313 1.313,314 7.946,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33.5,326 131,327 4.509,328 4.036,329 6.512,330 3.986,331 3.045,332 4.457,333 2.308,334 10.214,335 2.865,336 3.508,337 3.117,338 5.203,339 3.12,340 2.14,341 2.877,343 6.251,344 2.096,345 3.492,346 2.292,347 4.139,348 2.775,349 1.783,350 2.321,352 3.729,353 1.767,354 3.048,355 1.871,356 3.795,357 2.516,358 1.548,359 2.113,361 3.516,362 1.495,363 2.689,364 1.548,365 3.436,366 2.272,367 1.29,368 1.569,370 2.524,371 1.264,372 2.5,373 1.362,374 3.358,375 1.923,376 1,377 1.5,379 2.23,380 0.921,381 2.182,382 1,383 3.065,384 1.717,385 0.753,386 1,388 1.614,389 0.724,390 1.846,391 0.829,392 2.605,393 1.369,394 0.402,395 0.538,397 0.762,398 0.388,399 1.198,400 0.332,401 2.3,402 0.805,403 -0.172,404 -0.223,406 -0.317,407 -0.168,408 0.76,409 -0.211,410 1.917,411 0.352,412 -0.623,413 -0.824,415 -1.26,416 -0.606,417 0.5,418 -0.818,419 1.649,420 -0.048,421 -1,422 -1.439,424 -2.222,425 -0.946,426 0.138,427 -1,428 1.496,429 -0.151,430 -1.124,431 -1.5,433 -2.431,434 -1.096,435 -0.104,436 -1.308,437 1.06,438 -0.601,439 -1.567,440 -1.996,442 -3.401,443 -1.478,444 -0.35,445 -1.609,446 0.565,447 -0.693,448 -1.648,449 -2.133,451 -4.419,452 -1.596,453 -0.5,454 -1.774,455 0.467,456 -0.888,457 -1.854,458 -2.421,460 -4.766,461 -1.759,462 7.7,463 0.481,464 0.171,465 0.011,466 21,467 1.313,468 11,469 0.688,470 10,471 0.625,472 10.612,473 0.663,474 16.9,475 0.545,476 10.702,477 0.669,478 3.8,479 0.237,480 4.115,481 0.257,482 0.052,484 0.182,487 0.781,488 1.396,489 0.852,490 1.155,491 0.383,492 1.036,493 0.847,494 1.169,495 1.006,496 1.139,497 0.457,498 1.097,499 0.938,500 0.913,501 0.957,502 0.94,503 0.711,504 0.949,505 0.899,506 1.005,507 1.025,508 1.053,509 0.788,510 1.052,511 1.046,512 0.928,513 1.112,514 1.037,515 0.934,516 1.073,517 1.001,518 0.877,519 0.998,520 0.934,521 1.014,522 0.96,523 1.223,524 0.947,525 1.089,526 0.974,527 1.185,528 1.01,529 0.689,530 0.917,531 0.916,532 0.985,533 0.842,534 0.976,535 1.5,536 0.032,537 1.333,538 0.563,539 0.373,540 0.17,541 0.116,542 0.084,543 0.064,544 0.05,545 2102,546 5548,547 2.066,548 48.4,549 6,550 3,552 2,554 4,558 1.543,559 2,560 3,561 -0.795,563 1,564 1,565 1,567 42.116,568 1.359,569 3.201,570 4.171,571 4.632,572 4.632,573 4.632,574 2.453,575 4,576 3.965,577 3.153,578 378.324,579 6.645,580 3362.55,582 1,584 1,585 153.58,586 1.014,587 3.962,588 0.088,589 0.011,590 0.063,591 0.03,592 0.023,593 0.015,594 0.012,595 0.009,596 0.008,597 0.008,598 0.268,599 0.83,600 1,601 2,602 65.979,603 0.049,604 -0.239,605 0.055,606 -0.096,607 0.173,608 -0.033,609 0.074,610 -0.103,611 -0.07,612 -0.131,613 -0.006,614 -0.118,615 -0.074,616 0.038,617 0.002,618 0.044,619 -0.028,620 0.033,621 -0.063,622 -0.073,623 -0.068,624 -0.072,625 -0.059,626 -0.07,627 -0.142,628 -0.02,629 -0.142,630 -0.079,631 -0.135,632 -0.105,633 -0.088,634 0.025,635 -0.022,636 0.022,637 -0.12,638 0.01,639 -0.173,640 0.006,641 -0.11,642 -0.031,643 -0.137,644 -0.058,645 0.226,646 0.007,647 0.057,648 -0.021,649 0.115,650 -0.003,651 0.824,652 2.434,653 0.563,654 10.906,655 0.987,656 1.129,657 1.917,658 3.674,659 0.664,660 2.89,661 3.091,662 3.332,663 3.555,664 3.611,665 3.584,666 3.584,667 3.584,668 3.258,669 3.135,670 4.918,671 0.62,672 213.31,673 2.89,674 4.344,675 5.153,676 5.984,677 6.821,678 7.669,679 8.519,680 9.377,681 10.234,682 11.097,683 9.7,691 1,692 1,693 1,698 1,699 5,700 1,704 1,706 10,724 31,726 11,728 17,730 32,731 13,733 7,739 2,740 3,751 5,752 1,753 7,754 5,769 1,772 15,773 2,775 3,778 1,779 3,784 0.5,795 1,801 1,802 1,805 1,811 1,832 1,840 16,846 5,853 1,858 1,860 1,869 8,870 5.517,871 3.806,872 2.072,874 2.229,875 1.38,876 0.958,877 3.69,878 8.098,879 3.219,880 3.72,881 4.319,882 4.917,883 5.305,884 5.55,885 5.834,886 6.122,887 5.542,888 5.568,889 1,890 19,891 5.872,893 2.34,894 7.646,895 11.492,897 9.129,899 2.146,900 34.333,901 0.004,904 176.567,905 80.27,906 49.131,911 80.27,912 176.567,913 49.131,915 12.673,916 28.429,917 65.548,918 41.393,919 4.901,920 153.024,922 176.567,923 129.401,927 176.567,931 62.685,932 49.931,933 16.786,935 176.567,936 49.131,937 80.27,940 176.567,941 17.574,942 47.381,943 16.602,944 47.845,945 176.567,946 49.131,947 80.27,949 0.538,950 0.31,951 0.172,952 0.082,953 9,954 3,955 0.156,956 5,957 1,958 1.222,959 2.997,960 98.385,961 0.222,962 9,963 64,968 10.855,969 5.439,970 2.694,971 1.148,972 47.845,973 10.006,974 4.14,978 1.298,981 305.968,982 24,994 30.607,995 34.986,996 0.274,997 0.646,998 0.842,999 0.935,1000 0.935,1001 0.935,1002 4.388,1003 0.402,1004 5.056,1005 1.614,1006 3.761,1007 4.401,1008 2.456,1009 5.784,1010 3.686,1011 5.56,1012 -0.172,1013 6.547,1014 0.762,1015 2.944,1016 4.007,1018 6.581,1019 2.783,1020 6.835,1021 -0.623,1022 8.157,1023 -0.317,1024 5.231,1025 6.623,1026 4.057,1027 9.728,1028 5.059,1029 8.158,1030 -1,1031 9.849,1032 -1.26,1033 5.442,1034 7.302,1036 11.504,1037 5.148,1038 9.522,1039 -1.124,1040 11.595,1041 -2.222,1042 7.045,1043 9.241,1044 5.715,1045 14.107,1046 6.746,1047 10.918,1048 -1.567,1049 13.379,1050 -2.431,1051 7.757,1052 10.393,1054 16.225,1055 7.338,1056 12.339,1057 -1.648,1058 15.188,1059 -3.401,1060 9.07,1061 12.069,1062 7.386,1063 18.654,1064 8.63,1065 3.045,1066 -1.854,1067 17.015,1068 -4.419,1069 10.012,1070 13.421,1072 20.897,1073 9.47,1074 2.14,1075 10.214,1076 18.854,1077 -4.766,1078 11.206,1079 14.991,1080 9.058,1081 23.263,1082 10.627,1083 1.783,1084 6.251,1085 20.702,1086 4.457,1087 12.247,1088 16.426,1090 25.554,1091 11.582,1092 1.548,1093 3.729,1094 22.556,1095 2.877,1096 13.393,1097 17.952,1098 10.731,1099 27.895,1100 12.679,1101 1.29,1102 3.516,1103 24.414,1104 2.321,1105 14.476,1106 19.422,1108 30.205,1109 13.688,1110 1,1111 2.524,1112 26.276,1113 2.113,1114 15.602,1115 20.93,1116 12.404,1117 32.537,1118 14.76,1119 0.753,1120 2.23,1121 28.14,1122 1.569,1123 16.703,1124 22.414,1126 34.854,1127 15.792,1128 2159,1129 3558,1130 11.614,1131 20.586,1132 24.959,1133 26.69,1134 24.695,1135 23.917,1136 23.922,1137 32.75,1138 4.616,1139 61.681,1140 23.042,1141 5.395,1142 6.036,1143 6.464,1144 5.032,1145 5.045,1146 7.457,1147 4.616,1148 16.989,1149 4.832,1150 5.117,1151 1.468,1152 1.57,1153 1.453,1154 1.407,1155 1.407,1156 1.926,1157 0.272,1158 3.628,1159 1.355,1160 4.12,1161 4.169,1162 4.08,1163 3.977,1164 6.818,1165 3.995,1166 3.726,1167 3.791,1168 3.586,1169 3.601,1170 5.051,1171 3.587,1172 3.447,1173 3.512,1174 3.337,1175 3.304,1176 4.376,1177 3.302,1178 3.298,1179 3.362,1180 3.186,1181 3.149,1182 4.089,1183 3.151,1184 3.04,1185 3.114,1186 2.911,1187 2.879,1188 3.795,1189 2.879,1190 2.74,1191 2.827,1192 2.566,1193 2.55,1194 3.464,1195 2.544,1196 2.432,1197 2.554,1198 2.194,1199 2.186,1200 3.279,1201 2.168,1202 2.286,1203 2.399,1204 2.105,1205 2.017,1206 3.024,1207 2.018,1208 0.265,1209 0.237,1210 0.383,1211 0.234,1212 0.179,1213 4.509,1214 0.262,1215 4.036,1216 0.136,1217 6.512,1218 0.601,1219 3.986,1220 0.169,1221 3.045,1222 4.457,1223 2.308,1224 10.214,1225 2.865,1226 1.951,1227 1.912,1228 2.072,1229 2.089,1230 1.366,1231 2.083,1232 1.718,1233 1.66,1234 1.936,1235 1.876,1236 1.148,1237 1.902,1238 1.432,1239 1.373,1240 1.662,1241 1.612,1242 0.882,1243 1.627,1244 1.284,1245 1.212,1246 1.46,1247 1.527,1248 0.509,1249 1.516,1250 1.016,1251 0.954,1252 1.254,1253 1.21,1254 0.33,1255 1.227,1256 0.951,1257 0.87,1258 1.221,1259 1.182,1260 0.3,1261 1.204,1262 0.597,1263 0.506,1264 0.944,1265 0.863,1266 0.061,1267 0.894,1268 0.352,1269 0.229,1270 0.788,1271 0.666,1273 0.713,1274 3.555,1276 4.779,1277 2.398,1278 6.209,1279 4.595,1280 7.752,1281 6.605,1282 9.363,1290 5.002,1298 8.434,1299 2.177,1300 19.225,1301 42.116,1302 99.241,1303 129.315,1304 143.58,1305 143.58,1306 143.58,1307 18.787,1308 5.869,1309 41.09,1310 41.09,1311 11,1312 11.647,1313 3.585,1314 3,1315 26.238,1316 45,1317 56,1318 0.284,1319 123.503,1320 204.1,1321 293.106,1322 2248,1324 11.217,1325 0.701,1326 0.579,1327 11.217,1328 9.264,1329 7.915,1330 0.466,1331 0.334,1332 5.637,1333 7.704,1334 5.521,1335 4.619,1336 7.915,1337 5.685,1338 6.249,1339 0.298,1340 0.187,1341 6.249,1342 3.924,1343 5.152,1344 0.191,1345 0.102,1346 5.152,1347 2.754,1348 4.269,1349 0.126,1350 0.056,1351 4.269,1352 1.897,1353 3.018,1354 0.084,1355 0.033,1356 3.018,1357 1.175,1358 0.446,1359 48.881,1360 0.293,1361 16.615,1362 0.763,1363 76,1364 198.935,1365 80.885,1366 200.92,1367 273.18,1368 188,1369 86,1370 198.394,1371 91.357,1372 203.279,1373 288.75,1374 191,1375 6.201} {0 CHEMBL553313,1 1.602,2 10.815,3 3.473,4 12.062,5 104.506,6 7.369,7 0.429,8 4.03,9 4.137,10 3.721,11 3.598,12 5.088,13 3.532,14 4.581,15 4.749,16 3.952,17 3.968,18 5.869,19 3.869,20 4.873,21 5.09,22 4.002,23 4.127,24 5.876,25 3.985,26 4.971,27 5.198,28 3.979,29 4.121,30 6.032,31 3.973,32 5.006,33 5.254,34 3.903,35 4.077,36 6.064,37 3.933,38 4.906,39 5.148,40 3.88,41 4.049,42 5.92,43 3.899,44 4.882,45 5.117,46 3.877,47 4.039,48 5.98,49 3.909,50 4.82,51 5.043,52 3.832,53 4.026,54 5.892,55 3.905,56 0.098,57 0.75,58 14.506,59 5.551,60 21.32,61 6.878,62 0.406,63 1.178,64 23.249,65 9.214,66 80.589,67 11.876,68 0.302,69 1.471,70 34.654,71 12.589,72 69.234,73 15.954,74 0.424,75 1.572,76 40.708,77 13.189,78 93.032,79 16.652,80 0.644,81 1.562,82 40.82,83 12.347,84 117.558,85 16.078,86 0.453,87 1.446,88 37.711,89 12.087,90 90.381,91 15.72,92 0.549,93 1.393,94 35.173,95 11.683,96 105.391,97 15.16,98 0.335,99 1.348,100 31.599,101 11.203,102 71.724,103 14.676,104 32,105 37,106 0.268,107 0.587,108 0.774,109 0.874,110 0.899,111 0.899,112 3.339,113 1.131,114 -3.25,115 -3.24,116 -3.11,118 37.7,119 1,120 5,121 1,124 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 12,181 1,186 7,191 5,194 10,195 1,198 10,203 6,206 6,207 1,210 8,213 1,215 4,218 6,219 1,222 6,227 2,229 10,230 1,233 2,234 6,239 2,242 13,243 1,247 6,252 1,253 1,255 13,256 1,259 6,260 1,262 1,263 1,264 1,267 10,268 1,270 1351,271 17.75,272 17.75,273 17.75,274 17.75,275 17.75,276 15.75,277 11.773,278 10.894,279 17.971,280 13.821,281 13.821,282 13.821,283 13.821,284 13.821,285 10.863,286 6.447,287 5.179,288 14.197,289 4.125,290 2.217,291 1.099,292 0.505,293 0.354,294 0.354,295 4.002,299 1,300 1,301 592,302 4.528,306 216.294,313 1.687,314 37.965,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 59,326 292,327 4.878,328 4.705,329 7.388,330 4.343,331 3.422,332 4.735,333 2.341,334 12.795,335 3.123,336 4.07,337 3.596,338 6.135,339 3.822,340 2.829,341 3.548,343 9.024,344 2.81,345 3.832,346 3.067,347 5.567,348 3.362,349 2.365,350 3.386,352 7.026,353 2.357,354 3.55,355 2.516,356 4.659,357 3.24,358 2.235,359 2.71,361 5.185,362 2.222,363 3.214,364 1.962,365 4.513,366 2.897,367 1.919,368 2.391,370 4.689,371 1.875,372 2.864,373 1.701,374 4.157,375 2.556,376 1.564,377 2.023,379 3.292,380 1.546,381 2.713,382 1.529,383 3.656,384 2.414,385 1.414,386 1.749,388 3.184,389 1.414,390 2.67,391 1.456,392 3.61,393 2.216,394 1.244,395 1.721,397 2.894,398 1.204,399 2.5,400 1.231,401 3.495,402 2.124,403 1.135,404 1.5,406 2.661,407 1.119,408 2.469,409 1.052,410 3.252,411 1.956,412 1,413 1.451,415 2.136,416 0.953,417 1.918,418 1,419 3.247,420 1.807,421 0.824,422 0.869,424 1.781,425 0.806,426 1.469,427 0.7,428 2.864,429 1.299,430 0.328,431 0.357,433 0.751,434 0.317,435 1.097,436 0.439,437 2.636,438 0.762,439 -0.22,440 -0.256,442 -0.487,443 -0.213,444 1,445 0.292,446 2.296,447 0.706,448 -0.288,449 -0.328,451 -0.64,452 -0.283,453 0.886,454 -0.052,455 2.192,456 0.197,457 -0.775,458 -0.978,460 -1.739,461 -0.746,462 12.967,463 0.48,464 0.687,465 0.025,466 32.25,467 1.194,468 16.5,469 0.611,470 15.75,471 0.583,472 24.419,473 0.904,474 30.833,475 0.582,476 24.468,477 0.906,478 5.994,479 0.222,480 6.905,481 0.256,482 0.141,483 0.064,484 0.193,487 0.594,488 1.326,489 0.891,490 1.282,491 0.684,492 1.058,493 0.46,494 1.136,495 0.912,496 1.087,497 0.436,498 1.096,499 0.84,500 1.129,501 1.057,502 1.115,503 0.828,504 1.06,505 1.059,506 1.201,507 1.251,508 1.216,509 1.013,510 1.101,511 1.3,512 0.877,513 1.121,514 0.894,515 1.261,516 0.945,517 1.016,518 0.983,519 1.106,520 1.034,521 0.991,522 0.978,523 1.05,524 0.871,525 1.013,526 0.903,527 1.098,528 0.92,529 0.945,530 1.045,531 1,532 1.036,533 0.951,534 1.031,535 5.5,536 0.169,537 3.333,538 1.938,539 0.871,540 0.785,541 0.549,542 0.41,543 0.312,544 0.192,545 8292,546 25575,547 1.946,548 49.1,549 11,550 8,552 2,553 2,554 2,555 1,558 1.705,559 1.81,560 3.387,561 0.267,563 1,567 84.93,568 1.602,569 3.511,570 4.629,571 5.223,572 5.374,573 5.374,574 2.908,575 4.385,576 4.723,577 3.604,578 1264.87,579 8.222,580 16986.9,582 1,584 1,585 303.58,586 1.525,587 4.669,588 0.196,589 0.008,590 0.09,591 0.052,592 0.025,593 0.025,594 0.017,595 0.012,596 0.009,597 0.007,598 0.441,599 0.33,600 0.88,601 1.683,602 135.223,603 0.052,604 -0.07,605 0.191,606 -0.029,607 -0.101,608 0.032,609 0.296,610 -0.005,611 0.023,612 -0.028,613 0.286,614 -0.071,615 -0.051,616 -0.1,617 -0.011,618 -0.034,619 -0.036,620 -0.035,621 -0.105,622 -0.179,623 -0.117,624 -0.135,625 -0.055,626 -0.105,627 -0.19,628 0.11,629 -0.091,630 0.056,631 -0.155,632 -0.002,633 -0.098,634 0.007,635 -0.035,636 0.001,637 -0.07,638 0.015,639 -0.053,640 0.108,641 -0.024,642 0.078,643 -0.067,644 0.059,645 -0.086,646 -0.048,647 -0.075,648 -0.053,649 -0.075,650 -0.032,651 4.505,652 5.648,653 0.444,654 26.634,655 1.004,656 1.127,657 2.024,658 4.095,659 0.653,660 3.367,661 3.638,662 3.784,663 3.932,664 4.025,665 3.951,666 4.007,667 4.025,668 4.007,669 3.989,670 6.721,671 0.612,672 390.55,673 3.367,674 4.875,675 5.673,676 6.521,677 7.341,678 8.197,679 9.029,680 9.891,681 10.73,682 11.596,683 3.8,685 1,693 1,699 8,700 1,704 3,706 12,724 53,726 15,727 1,728 28,730 54,731 20,733 11,734 2,735 4,739 2,740 2,745 1,751 5,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 26,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,840 27,844 1,845 1,846 6,847 1,850 1,862 7.5,864 1,865 3,869 14.917,870 9.317,871 6.097,872 3.232,874 1.785,875 1.274,876 0.923,877 8.114,878 8.291,879 3.638,880 4.174,881 4.549,882 4.984,883 5.36,884 5.245,885 5.445,886 5.438,887 5.512,888 5.787,889 1,890 37,891 10.25,893 4.47,894 8.034,895 19.024,897 15.424,899 2.534,900 68.417,902 1,903 1,904 282.506,905 113.195,906 33.191,908 112.141,910 5.807,911 107.388,912 394.648,913 33.191,914 8.825,915 14.778,916 79.07,917 153.379,918 26.017,920 258.964,922 282.506,923 140.578,924 112.141,925 5.807,927 270.735,928 123.912,931 58.103,932 65.689,933 22.593,935 282.506,936 145.332,937 113.195,939 5.807,940 282.506,941 23.61,942 83.778,943 16.405,944 128.927,945 282.506,946 145.332,947 113.195,949 0.569,950 0.308,951 0.155,952 0.078,953 14,954 7,955 0.204,956 11,958 1,959 3.848,960 207.858,962 12,963 124.382,967 1,968 21.238,969 10.316,970 6.873,972 145.332,973 14.11,974 4.135,978 1.969,980 59.088,981 541.033,982 37,986 -3.589,987 35.904,991 -0.787,994 53.192,995 59.737,996 0.28,997 0.613,998 0.808,999 0.912,1000 0.938,1001 0.938,1002 4.844,1003 1.244,1004 5.666,1005 3.184,1006 4.317,1007 4.86,1008 2.258,1009 6.463,1010 4.259,1011 6.049,1012 1.135,1013 7.228,1014 2.894,1015 4.007,1016 4.879,1017 2.243,1018 7.703,1019 3.862,1020 7.374,1021 1,1022 8.921,1023 2.661,1024 5.938,1025 7.099,1026 3.628,1027 10.719,1028 5.778,1029 8.75,1030 0.824,1031 10.701,1032 2.136,1033 6.494,1034 7.994,1035 4.112,1036 12.844,1037 6.206,1038 10.171,1039 0.328,1040 12.541,1041 1.781,1042 7.941,1043 9.767,1044 5.201,1045 15.502,1046 7.628,1047 11.626,1048 -0.22,1049 14.423,1050 0.751,1051 8.879,1052 11.034,1053 5.889,1054 17.907,1055 8.427,1056 13.107,1057 -0.288,1058 16.334,1059 -0.487,1060 10.161,1061 12.659,1062 6.849,1063 20.48,1064 9.658,1065 3.422,1066 -0.775,1067 18.265,1068 -0.64,1069 11.263,1070 14.087,1071 7.625,1072 22.977,1073 10.629,1074 2.829,1075 12.795,1076 20.212,1077 -1.739,1078 12.494,1079 15.661,1080 8.526,1081 25.529,1082 11.785,1083 2.365,1084 9.024,1085 22.171,1086 4.735,1087 13.664,1088 17.159,1089 9.342,1090 28.058,1091 12.836,1092 2.235,1093 7.026,1094 24.138,1095 3.548,1096 14.882,1097 18.717,1098 10.216,1099 30.606,1100 13.966,1101 1.919,1102 5.185,1103 26.111,1104 3.386,1105 16.082,1106 20.246,1107 11.051,1108 33.147,1109 15.054,1110 1.564,1111 4.689,1112 28.09,1113 2.71,1114 17.3,1115 21.799,1116 11.912,1117 35.695,1118 16.176,1119 1.414,1120 3.292,1121 30.073,1122 2.391,1123 18.514,1124 23.342,1125 12.755,1126 38.24,1127 17.283,1128 8437,1129 14944,1130 17.97,1131 34.614,1132 40.579,1133 41.875,1134 41.658,1135 40.587,1136 40.559,1137 52.879,1138 4.682,1139 110.837,1140 39.493,1141 5.834,1142 6.705,1143 7.19,1144 5.389,1145 5.422,1146 7.735,1147 3.925,1148 20.417,1149 5.123,1150 15.144,1151 1.449,1152 1.496,1153 1.488,1154 1.45,1155 1.449,1156 1.889,1157 0.167,1158 3.958,1159 1.41,1160 4.091,1161 4.079,1162 4.736,1163 4.076,1164 7.717,1165 3.993,1166 3.915,1167 3.95,1168 3.849,1169 3.83,1170 7.474,1171 3.825,1172 3.734,1173 3.786,1174 3.712,1175 3.598,1176 6.999,1177 3.589,1178 3.661,1179 3.676,1180 3.607,1181 3.569,1182 6.351,1183 3.502,1184 3.5,1185 3.527,1186 3.4,1187 3.341,1188 4.896,1189 3.329,1190 3.252,1191 3.287,1192 3.13,1193 3.053,1194 4.706,1195 3.053,1196 3.169,1197 3.256,1198 2.961,1199 3.02,1200 4.195,1201 2.994,1202 2.931,1203 2.998,1204 2.726,1205 2.664,1206 3.999,1207 2.668,1208 0.174,1209 0.168,1210 0.264,1211 0.155,1212 0.122,1213 4.878,1214 0.169,1215 4.705,1216 0.084,1217 7.388,1218 0.457,1219 4.343,1220 0.112,1221 3.422,1222 4.735,1223 2.341,1224 12.795,1225 3.123,1226 1.983,1227 1.986,1228 2.068,1229 2.062,1230 1.419,1231 2.095,1232 1.9,1233 1.863,1234 2.021,1235 2.004,1236 1.238,1237 2.025,1238 1.728,1239 1.675,1240 1.937,1241 1.894,1242 1.181,1243 1.911,1244 1.554,1245 1.535,1246 1.741,1247 1.744,1248 0.891,1249 1.763,1250 1.42,1251 1.405,1252 1.554,1253 1.625,1254 0.793,1255 1.646,1256 1.209,1257 1.15,1258 1.55,1259 1.418,1260 0.609,1261 1.469,1262 1.183,1263 1.124,1264 1.273,1265 1.405,1266 0.552,1267 1.423,1268 0.873,1269 0.806,1270 1.14,1271 1.184,1272 0.387,1273 1.197,1274 4.043,1276 5.323,1278 6.792,1280 8.352,1282 9.961,1284 1.773,1289 8.719,1290 3.469,1291 2.724,1294 -0.012,1300 32.411,1301 84.93,1302 186.07,1303 245.315,1304 276.825,1305 284.825,1306 284.825,1307 86.957,1308 6.506,1309 96.36,1310 104.74,1311 12,1312 12.148,1313 4,1314 3.322,1315 58.17,1316 103,1317 121,1318 0.26,1319 208.043,1320 365.23,1321 499.385,1322 4875,1324 19.7,1325 0.73,1326 0.603,1327 19.95,1328 16.283,1329 12.899,1330 0.461,1331 0.377,1332 9.106,1333 11.729,1334 8.748,1335 7.318,1336 13.72,1337 10.553,1338 11.586,1339 0.313,1340 0.225,1341 12.89,1342 8.329,1343 8.448,1344 0.196,1345 0.142,1346 9.558,1347 6.086,1348 6.577,1349 0.132,1350 0.086,1351 7.622,1352 4.32,1353 4.777,1354 0.087,1355 0.052,1356 5.588,1357 2.877,1358 0.409,1359 88.685,1360 0.236,1361 26.193,1362 0.708,1363 130,1364 412.195,1365 178.391,1366 416.81,1367 542.45,1368 380,1369 145,1370 348.319,1371 200.052,1372 389.344,1373 554.31,1374 363,1375 6.699} {0 CHEMBL553319,1 1.399,2 9.3,3 3.424,4 11.727,5 79.546,6 7.226,7 0.571,8 3.671,9 3.779,10 3.197,11 3.274,12 4.851,13 3.233,14 4.139,15 4.3,16 3.502,17 3.627,18 5.353,19 3.559,20 4.366,21 4.547,22 3.54,23 3.772,24 5.448,25 3.672,26 4.511,27 4.73,28 3.398,29 3.757,30 5.545,31 3.622,32 4.464,33 4.722,34 3.35,35 3.676,36 5.445,37 3.532,38 4.338,39 4.591,40 3.149,41 3.468,42 5.397,43 3.328,44 4.039,45 4.308,46 2.795,47 3.149,48 4.995,49 3.002,50 3.631,51 3.862,52 2.668,53 2.928,54 4.53,55 2.807,56 0.027,57 0.465,58 7.407,59 3.559,60 8.338,61 4.545,62 0.157,63 0.735,64 12.768,65 5.682,66 33.349,67 7.596,68 0.066,69 0.906,70 16.31,71 7.34,72 21.829,73 9.809,74 0.216,75 1.005,76 20.478,77 8.155,78 47.574,79 10.87,80 0.113,81 0.977,82 19.705,83 7.964,84 28.813,85 11.226,86 0.162,87 0.832,88 17.823,89 6.762,90 38.902,91 9.265,92 0.15,93 0.608,94 13.483,95 4.974,96 30.528,97 6.863,98 0.034,99 0.417,100 8.198,101 3.507,102 12.514,103 4.85,104 20,105 28,106 0.253,107 0.612,108 0.778,109 0.844,110 0.857,111 0.857,112 3.056,113 0.927,114 -3.92,115 -3.87,116 -3.68,118 45.9,119 2,121 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 14,169 1,172 3,175 1,177 1,180 17,181 2,186 4,191 2,194 17,195 1,198 3,203 1,206 14,207 2,210 4,215 2,218 10,219 2,222 4,227 2,229 7,230 1,234 2,239 1,242 5,243 1,247 2,252 1,255 4,256 2,259 3,264 2,267 2,268 1,270 472,271 13.19,272 13.19,273 13.19,274 13.19,275 13.19,276 11.36,277 11.574,278 7.877,279 13.26,280 10.319,281 10.319,282 10.319,283 10.319,284 10.319,285 7.652,286 14.549,287 3.725,288 10.418,289 3.81,290 1.829,291 0.913,292 0.548,293 0.473,294 0.473,295 3.713,298 1,299 1,300 1,301 381,302 3.391,306 143.761,313 1.7,314 16.038,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42.5,326 186,327 4.261,328 3.593,329 6.391,330 3.975,331 2.977,332 3.814,333 1.437,334 9.668,335 2.972,336 4.104,337 3.31,338 5.816,339 3.727,340 2.725,341 3.551,342 0.68,343 7.898,344 2.72,345 3.804,346 2.569,347 5.35,348 3.386,349 2.388,350 3.27,352 6.698,353 2.377,354 3.448,355 2.243,356 5.093,357 3.055,358 2.064,359 2.745,361 5.97,362 2.043,363 2.928,364 1.868,365 3.906,366 2.466,367 1.494,368 2.091,370 3.321,371 1.449,372 2.663,373 1.537,374 3.525,375 2.074,376 1.068,377 1.527,379 2.445,380 1.057,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.5,391 1,392 3.303,393 1.957,394 1,395 1.5,397 2.136,398 0.954,399 2.04,400 0.836,401 3.247,402 1.742,403 0.749,404 0.93,406 1.803,407 0.742,408 1.123,409 0.439,410 2.459,411 0.865,412 -0.136,413 -0.16,415 -0.324,416 -0.135,417 0.665,418 0.023,419 2.154,420 0.225,421 -0.743,422 -0.964,424 -1.607,425 -0.715,426 0.564,427 -0.565,428 2,429 0.145,430 -0.854,431 -1.093,433 -2,434 -0.853,435 0.5,436 -0.71,437 1.555,439 -1,440 -1.276,442 -2.037,443 -0.961,444 0.5,445 -1,446 1.529,448 -1,449 -1.5,451 -2.347,452 -0.974,453 0.416,454 -1,455 1.386,456 -0.026,457 -1,458 -1.5,460 -3,461 -1,462 9.567,463 0.478,464 0.511,465 0.026,466 26.5,467 1.325,468 15,469 0.75,470 11.5,471 0.575,472 13.711,473 0.686,474 21.033,475 0.568,476 17.88,477 0.894,478 5.405,479 0.27,480 4.17,481 0.209,482 0.174,484 0.314,487 0.748,488 1.069,489 0.837,490 0.987,491 0.748,492 0.936,493 0.439,494 0.963,495 0.821,496 0.945,497 0.389,498 0.931,499 0.629,500 1.175,501 1.014,502 1.194,503 0.623,504 1.163,505 1.133,506 1.022,507 1.191,508 1.052,509 1.164,510 1.12,511 0.517,512 1.008,513 0.88,514 1.02,515 0.458,516 0.997,517 1.012,518 1.017,519 1.017,520 1.017,521 0.991,522 1.018,523 1.065,524 0.822,525 0.967,526 0.837,527 1.079,528 0.879,529 0.48,530 1.071,531 0.842,532 1.074,533 0.554,534 1.02,535 4,536 0.07,537 2.444,538 1.188,539 0.933,540 0.479,541 0.322,542 0.229,543 0.136,544 0.106,545 3733,546 10923,547 1.966,548 45.9,549 7,550 7,552 2,553 1,558 1.613,559 1.818,560 3.219,561 -0.37,563 1,565 1,567 51.776,568 1.399,569 3.38,570 4.297,571 4.662,572 4.736,573 4.736,574 2.771,575 3.684,576 4.291,577 3.369,578 640.02,579 7.307,580 6693.52,581 1,582 1,583 1,584 1,585 192.75,586 1.485,587 4.237,588 0.19,589 0.008,590 0.087,591 0.042,592 0.041,593 0.022,594 0.019,595 0.019,596 0.012,597 0.01,598 0.45,599 0.83,600 1,601 1.329,602 89.92,603 -0.055,604 -0.002,605 0.006,606 0.042,607 -0.098,608 0.031,609 0.218,610 0.08,611 0.061,612 0.063,613 0.241,614 0.047,615 -0.014,616 -0.175,617 -0.127,618 -0.186,619 0.015,620 -0.174,621 -0.172,622 -0.055,623 -0.23,624 -0.075,625 -0.19,626 -0.148,627 0.056,628 -0.043,629 0.07,630 -0.041,631 0.086,632 0.01,633 -0.052,634 -0.07,635 -0.022,636 -0.055,637 -0.03,638 -0.037,639 -0.084,640 0.118,641 0.047,642 0.123,643 -0.101,644 0.107,645 0.083,646 -0.118,647 0.087,648 -0.074,649 0.018,650 -0.006,651 2.558,652 3.789,653 0.6,654 16.6,655 0.995,656 1.115,657 2.689,658 7.232,659 0.676,660 3.091,661 3.367,662 3.555,663 3.664,664 3.85,665 3.761,666 3.85,667 3.892,668 3.807,669 3.611,670 5.625,671 0.64,672 267.35,673 3.091,674 4.595,675 5.407,676 6.244,677 7.076,678 7.916,679 8.754,680 9.597,681 10.439,682 11.283,683 2.7,693 1,699 8,700 1,704 3,706 12,724 37,726 14,727 1,728 21,730 38,731 17,733 11,734 2,735 4,736 3,739 2,740 2,745 2,753 14,754 3,755 1,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 20,845 1,850 1,862 5.4,864 1,865 1,869 11,870 7.15,871 4.5,872 2.149,874 2.575,875 1.417,876 0.923,877 4.441,878 8.757,879 3.401,880 3.951,881 4.454,882 4.913,883 5.45,884 5.518,885 5.91,886 6.246,887 6.452,888 6.567,889 1,890 28,891 7.343,893 2.993,894 7.883,895 13.881,897 10.909,899 2.383,900 47.667,904 188.338,905 115.731,906 16.786,908 67.828,911 115.731,912 256.166,913 16.786,914 17.65,916 66.334,917 109.066,918 30.837,920 164.795,922 188.338,923 132.517,924 67.828,927 188.338,928 67.828,931 35.745,932 70.51,933 26.262,935 188.338,936 84.614,937 115.731,940 188.338,941 13.652,942 102.079,944 84.614,945 188.338,946 84.614,947 115.731,949 0.577,950 0.33,951 0.151,952 0.082,953 12,954 6,955 0.105,956 4,958 1,959 3.238,960 137.984,962 12,963 82.439,968 14.168,969 6.269,970 3.631,972 84.614,973 15.547,974 4.133,978 3.243,980 42.683,981 388.683,982 29,987 10.789,989 1.668,991 -0.559,994 36.825,995 41.239,996 0.269,997 0.649,998 0.825,999 0.895,1000 0.909,1001 0.909,1002 4.595,1003 1,1004 5.38,1005 2.275,1006 4.043,1007 4.635,1008 1.801,1009 6.125,1010 4.028,1011 5.795,1012 0.749,1013 6.913,1014 2.136,1015 3.611,1016 4.27,1018 6.934,1019 3.604,1020 7.079,1021 -0.136,1022 8.547,1023 1.803,1024 5.58,1025 6.742,1026 2.297,1027 9.97,1028 5.56,1029 8.397,1030 -0.743,1031 10.24,1032 -0.324,1033 5.943,1034 7.126,1036 11.579,1037 5.934,1038 9.742,1039 -0.854,1040 11.969,1041 -1.607,1042 7.396,1043 9.088,1044 2.933,1045 14.133,1046 7.374,1047 11.106,1048 -1,1049 13.721,1050 -2,1051 8.116,1052 9.831,1054 16.079,1055 8.103,1056 12.484,1057 -1,1058 15.491,1059 -2.037,1060 9.352,1061 11.542,1062 3.621,1063 18.458,1064 9.329,1065 2.977,1066 -1,1067 17.274,1068 -2.347,1069 10.246,1070 12.491,1072 20.564,1073 10.23,1074 2.725,1075 9.668,1076 19.066,1077 -3,1078 11.386,1079 14.056,1080 4.33,1081 22.873,1082 11.363,1083 2.388,1084 7.898,1085 20.865,1086 3.814,1087 12.368,1088 15.134,1090 25.058,1091 12.348,1092 2.064,1093 6.698,1094 22.672,1095 3.551,1096 13.466,1097 16.609,1098 5.048,1099 27.34,1100 13.442,1101 1.494,1102 5.97,1103 24.484,1104 3.27,1105 14.493,1106 17.772,1108 29.564,1109 14.469,1110 1.068,1111 3.321,1112 26.3,1113 2.745,1114 15.575,1115 19.191,1116 5.769,1117 31.835,1118 15.548,1119 1,1120 2.445,1121 28.121,1122 2.091,1123 16.624,1124 20.409,1126 34.079,1127 16.598,1128 3819,1129 6605,1130 13.523,1131 25.006,1132 31.638,1133 31.741,1134 32.092,1135 30.935,1136 30.931,1137 41.857,1138 4.233,1139 84.427,1140 30.628,1141 5.008,1142 5.593,1143 6.193,1144 5.011,1145 4.977,1146 6.814,1147 2.873,1148 16.413,1149 4.972,1150 10.998,1151 1.507,1152 1.511,1153 1.528,1154 1.473,1155 1.473,1156 1.993,1157 0.202,1158 4.02,1159 1.458,1160 4.006,1161 4.035,1162 3.946,1163 3.951,1164 7.475,1165 3.946,1166 3.829,1167 3.864,1168 3.767,1169 3.742,1170 6.351,1171 3.743,1172 3.623,1173 3.649,1174 3.554,1175 3.497,1176 4.908,1177 3.502,1178 3.322,1179 3.392,1180 3.174,1181 3.177,1182 4.734,1183 3.165,1184 3.009,1185 3.039,1186 2.86,1187 2.735,1188 4.214,1189 2.715,1190 2.854,1191 2.925,1192 2.687,1193 2.665,1194 3.975,1195 2.705,1196 2.816,1197 2.902,1198 2.63,1199 2.637,1200 3.792,1201 2.627,1202 2.785,1203 2.861,1204 2.582,1205 2.631,1206 3.674,1207 2.611,1208 0.203,1209 0.171,1210 0.304,1211 0.189,1212 0.142,1213 4.261,1214 0.182,1215 3.593,1216 0.068,1217 6.391,1218 0.46,1219 3.975,1220 0.142,1221 2.977,1222 3.814,1223 1.437,1224 9.668,1225 2.972,1226 1.986,1227 1.961,1228 2.095,1229 2.063,1230 1.278,1231 2.075,1232 1.816,1233 1.783,1234 1.939,1235 1.927,1236 1.035,1237 1.933,1238 1.587,1239 1.556,1240 1.774,1241 1.749,1242 0.836,1243 1.752,1244 1.334,1245 1.268,1246 1.635,1247 1.533,1248 0.711,1249 1.571,1250 0.886,1251 0.821,1252 1.231,1253 1.268,1254 0.312,1255 1.234,1256 0.879,1257 0.814,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.825,1263 0.768,1264 1.118,1265 1.057,1266 0.19,1267 1.089,1268 0.785,1269 0.731,1270 1.005,1271 0.997,1273 1.025,1274 3.761,1276 5.043,1278 6.521,1280 8.074,1282 9.665,1284 3.721,1289 8.86,1294 0.266,1300 23.665,1301 51.776,1302 125.059,1303 158.975,1304 172.485,1305 175.24,1306 175.24,1307 34.295,1308 6.182,1309 50.19,1310 50.19,1311 12,1312 11.846,1313 3.907,1314 3.17,1315 36.638,1316 68,1317 56,1318 0.273,1319 150.421,1320 263.6,1321 358.787,1322 3235,1324 14.535,1325 0.727,1326 0.579,1327 14.535,1328 11.576,1329 9.575,1330 0.456,1331 0.309,1332 6.445,1333 9.359,1334 6.185,1335 5.219,1336 9.575,1337 6.492,1338 8.495,1339 0.303,1340 0.172,1341 8.495,1342 4.807,1343 6.872,1344 0.202,1345 0.098,1346 6.872,1347 3.341,1348 4.793,1349 0.126,1350 0.053,1351 4.793,1352 2.017,1353 3.83,1354 0.083,1355 0.028,1356 3.83,1357 1.298,1358 0.43,1359 59.107,1360 0.272,1361 20.216,1362 0.739,1363 98,1364 281.53,1365 103.816,1366 278.863,1367 371.16,1368 258,1369 111,1370 261.779,1371 115.821,1372 271.249,1373 385.43,1374 253,1375 7.602} {0 CHEMBL553822,1 1.602,2 11.444,3 3.473,4 12.062,5 104.506,6 7.369,7 0.429,8 4.03,9 4.137,10 3.721,11 3.598,12 5.087,13 3.532,14 4.581,15 4.749,16 3.952,17 3.968,18 5.87,19 3.869,20 4.873,21 5.089,22 3.958,23 4.115,24 5.895,25 3.972,26 4.966,27 5.208,28 3.898,29 4.081,30 5.993,31 3.928,32 4.931,33 5.184,34 3.911,35 4.045,36 5.92,37 3.893,38 4.868,39 5.094,40 3.937,41 4.044,42 5.936,43 3.903,44 4.902,45 5.124,46 3.872,47 4.023,48 6.074,49 3.904,50 4.796,51 5.022,52 3.786,53 3.983,54 5.872,55 3.858,56 0.098,57 0.75,58 14.506,59 5.551,60 21.309,61 6.878,62 0.406,63 1.178,64 23.249,65 9.214,66 80.54,67 11.876,68 0.303,69 1.465,70 34.872,71 12.535,72 70.693,73 15.945,74 0.468,75 1.526,76 38.566,77 12.567,78 99.277,79 16.4,80 0.499,81 1.479,82 37.572,83 12.007,84 90.764,85 15.689,86 0.404,87 1.428,88 38.604,89 12.136,90 82.949,91 15.159,92 0.674,93 1.397,94 36.094,95 11.276,96 126.921,97 14.38,98 0.334,99 1.305,100 31.095,101 10.868,102 71.988,103 14.239,104 32,105 37,106 0.268,107 0.587,108 0.766,109 0.853,110 0.874,111 0.874,112 3.339,113 1.13,114 -3.25,115 -3.24,116 -3.11,118 37.7,119 1,120 5,121 1,124 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 13,181 1,186 7,191 5,194 10,195 1,198 8,203 5,206 5,207 1,210 8,213 1,215 4,218 6,219 1,222 8,227 3,229 9,230 1,233 2,234 6,239 2,242 11,243 1,247 6,252 1,253 1,255 12,256 1,259 5,260 1,262 1,263 1,264 1,267 10,268 1,270 1377,271 17.698,272 17.698,273 17.698,274 17.698,275 17.698,276 15.725,277 13.043,278 10.809,279 17.93,280 13.816,281 13.816,282 13.816,283 13.816,284 13.816,285 10.875,286 7.315,287 5.161,288 14.203,289 4.125,290 2.217,291 1.151,292 0.632,293 0.505,294 0.505,295 4.002,299 1,300 1,301 627,302 4.528,306 217.864,313 1.679,314 37.452,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 59,326 309,327 4.845,328 4.684,329 7.293,330 4.295,331 3.377,332 4.697,333 2.341,334 12.408,335 3.073,336 4.069,337 3.596,338 6.134,339 3.82,340 2.826,341 3.548,343 9.021,344 2.805,345 3.834,346 3.066,347 5.149,348 3.398,349 2.399,350 3.393,352 6.32,353 2.396,354 3.55,355 2.561,356 4.743,357 3.24,358 2.235,359 2.71,361 5.185,362 2.222,363 3.22,364 1.988,365 4.659,366 2.905,367 1.928,368 2.4,370 4.874,371 1.882,372 3.073,373 1.79,374 4.481,375 2.625,376 1.635,377 2.278,379 4.55,380 1.614,381 2.712,382 1.664,383 3.656,384 2.54,385 1.548,386 1.737,388 3.206,389 1.531,390 2.5,391 1.272,392 3.517,393 2.156,394 1.18,395 1.5,397 2.694,398 1.15,399 2.5,400 1.115,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.472,409 1,410 3.284,411 1.956,412 1,413 1.456,415 2.136,416 0.953,417 1.919,418 1,419 3.247,420 1.813,421 0.831,422 0.871,424 1.794,425 0.811,426 1.469,427 0.729,428 2.871,429 1.3,430 0.33,431 0.358,433 0.754,434 0.318,435 1.119,436 0.456,437 2.642,438 0.768,439 -0.214,440 -0.253,442 -0.47,443 -0.207,444 1,445 0.301,446 2.296,447 0.708,448 -0.286,449 -0.325,451 -0.637,452 -0.282,453 0.886,454 -0.052,455 2.192,456 0.196,457 -0.775,458 -0.978,460 -1.74,461 -0.746,462 12.967,463 0.48,464 0.704,465 0.026,466 32.25,467 1.194,468 16.5,469 0.611,470 15.75,471 0.583,472 24.074,473 0.892,474 30.833,475 0.582,476 24.387,477 0.903,478 5.978,479 0.221,480 6.904,481 0.256,482 0.141,483 0.064,484 0.193,487 0.594,488 1.326,489 0.891,490 1.282,491 0.685,492 1.058,493 0.46,494 1.136,495 0.912,496 1.087,497 0.435,498 1.096,499 0.846,500 1.168,501 1.112,502 1.173,503 0.818,504 1.102,505 1.075,506 1.078,507 1.08,508 1.033,509 1.052,510 1.042,511 1.038,512 0.891,513 1,514 0.891,515 1,516 0.911,517 1.041,518 1.109,519 1.307,520 1.228,521 0.992,522 1.023,523 1.409,524 0.85,525 1.144,526 0.883,527 1.471,528 0.946,529 0.967,530 1.056,531 1.014,532 1.046,533 0.977,534 1.039,535 6,536 0.19,537 3.333,538 1.438,539 0.853,540 0.951,541 0.549,542 0.34,543 0.279,544 0.214,545 8460,546 25871,547 1.946,548 49.1,549 11,550 8,552 2,553 2,554 2,555 1,558 1.704,559 1.81,560 3.462,561 0.267,563 1,567 84.93,568 1.602,569 3.511,570 4.577,571 5.096,572 5.223,573 5.223,574 2.911,575 4.236,576 4.721,577 3.652,578 1281.91,579 8.217,580 17304.8,582 1,584 1,585 303.58,586 1.525,587 4.669,588 0.214,589 0.009,590 0.09,591 0.04,592 0.027,593 0.03,594 0.016,595 0.01,596 0.009,597 0.008,598 0.452,599 0.33,600 0.88,601 1.683,602 135.715,603 0.052,604 -0.07,605 0.191,606 -0.029,607 -0.102,608 0.032,609 0.296,610 -0.005,611 0.023,612 -0.028,613 0.288,614 -0.071,615 -0.056,616 -0.14,617 -0.067,618 -0.093,619 -0.026,620 -0.077,621 -0.119,622 -0.096,623 -0.068,624 -0.047,625 -0.093,626 -0.065,627 -0.094,628 0.099,629 0.03,630 0.087,631 -0.089,632 0.057,633 -0.09,634 -0.073,635 -0.083,636 -0.084,637 -0.035,638 -0.012,639 -0.175,640 0.138,641 -0.133,642 0.076,643 -0.171,644 -0.001,645 -0.088,646 -0.065,647 -0.08,648 -0.066,649 -0.081,650 -0.044,651 4.491,652 5.538,653 0.444,654 27.852,655 1.004,656 1.127,657 2.024,658 4.095,659 0.653,660 3.367,661 3.638,662 3.761,663 3.871,664 4.043,665 4.043,666 3.989,667 3.951,668 4.007,669 4.025,670 6.872,671 0.612,672 390.55,673 3.367,674 4.875,675 5.666,676 6.506,677 7.322,678 8.168,679 8.996,680 9.847,681 10.681,682 11.537,683 3.8,685 1,693 1,699 8,700 1,704 3,706 12,724 53,726 15,727 1,728 28,730 54,731 20,733 11,734 2,735 4,739 2,740 2,745 1,751 5,753 12,754 8,755 1,756 3,760 1,761 3,765 1,769 1,772 26,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,836 1,840 27,844 1,845 1,846 6,847 1,850 1,862 7.5,864 1,865 3,869 14.917,870 9.317,871 6.069,872 3.225,874 1.751,875 1.269,876 0.923,877 8.114,878 8.256,879 3.638,880 4.174,881 4.533,882 4.931,883 5.384,884 5.402,885 5.428,886 5.261,887 5.503,888 5.81,889 0.875,890 36,891 10.242,893 4.46,894 8.034,895 19.024,897 15.419,899 2.534,900 68.417,902 1,903 1,904 282.506,905 113.195,906 33.191,908 112.141,910 5.807,911 107.388,912 394.648,913 33.191,914 8.825,915 14.778,916 79.07,917 153.379,918 26.017,920 258.964,922 282.506,923 140.578,924 112.141,925 5.807,927 270.735,928 123.912,931 58.103,932 65.689,933 22.593,935 282.506,936 145.332,937 113.195,939 5.807,940 282.506,941 23.61,942 83.778,943 16.405,944 128.927,945 282.506,946 145.332,947 113.195,949 0.571,950 0.302,951 0.143,952 0.079,953 14,954 7,955 0.204,956 11,958 1,959 3.88,960 205.993,962 12,963 122.382,967 1,968 21.238,969 10.316,970 7.221,972 145.332,973 13.957,974 4.131,978 2.227,980 59.088,981 541.033,982 37,986 -3.575,987 35.678,991 -0.787,994 53.192,995 59.737,996 0.28,997 0.613,998 0.799,999 0.89,1000 0.912,1001 0.912,1002 4.844,1003 1.18,1004 5.659,1005 3.206,1006 4.317,1007 4.86,1008 2.258,1009 6.435,1010 4.259,1011 6.049,1012 1,1013 7.21,1014 2.694,1015 4.007,1016 4.879,1017 2.243,1018 7.644,1019 3.862,1020 7.372,1021 1,1022 8.888,1023 2.275,1024 5.927,1025 7.091,1026 3.628,1027 10.614,1028 5.77,1029 8.743,1030 0.831,1031 10.652,1032 2.136,1033 6.463,1034 7.971,1035 4.112,1036 12.714,1037 6.177,1038 10.158,1039 0.33,1040 12.475,1041 1.794,1042 7.904,1043 9.74,1044 5.201,1045 15.329,1046 7.595,1047 11.604,1048 -0.214,1049 14.34,1050 0.754,1051 8.817,1052 10.99,1053 5.889,1054 17.711,1055 8.368,1056 13.077,1057 -0.286,1058 16.236,1059 -0.47,1060 10.09,1061 12.61,1062 6.849,1063 20.244,1064 9.593,1065 3.377,1066 -0.775,1067 18.154,1068 -0.637,1069 11.17,1070 14.022,1071 7.625,1072 22.713,1073 10.538,1074 2.826,1075 12.408,1076 20.087,1077 -1.74,1078 12.388,1079 15.591,1080 8.526,1081 25.23,1082 11.684,1083 2.399,1084 9.021,1085 22.033,1086 4.697,1087 13.539,1088 17.076,1089 9.342,1090 27.729,1091 12.712,1092 2.235,1093 6.32,1094 23.987,1095 3.548,1096 14.743,1097 18.627,1098 10.216,1099 30.243,1100 13.827,1101 1.928,1102 5.185,1103 25.948,1104 3.393,1105 15.926,1106 20.145,1107 11.051,1108 32.753,1109 14.895,1110 1.635,1111 4.874,1112 27.914,1113 2.71,1114 17.13,1115 21.691,1116 11.912,1117 35.268,1118 16.001,1119 1.548,1120 4.55,1121 29.885,1122 2.4,1123 18.327,1124 23.224,1125 12.755,1126 37.783,1127 17.089,1128 8600,1129 15171,1130 17.97,1131 34.614,1132 40.609,1133 41.812,1134 41.468,1135 40.609,1136 40.578,1137 52.893,1138 4.682,1139 110.431,1140 39.506,1141 5.801,1142 6.684,1143 7.095,1144 5.341,1145 5.377,1146 7.697,1147 3.925,1148 19.579,1149 5.073,1150 15.347,1151 1.45,1152 1.493,1153 1.481,1154 1.45,1155 1.449,1156 1.889,1157 0.167,1158 3.944,1159 1.411,1160 4.086,1161 4.075,1162 4.735,1163 4.07,1164 7.717,1165 3.986,1166 3.914,1167 3.949,1168 3.849,1169 3.829,1170 7.474,1171 3.825,1172 3.734,1173 3.786,1174 3.728,1175 3.606,1176 6.999,1177 3.59,1178 3.686,1179 3.697,1180 3.607,1181 3.596,1182 6.351,1183 3.535,1184 3.505,1185 3.538,1186 3.4,1187 3.345,1188 4.896,1189 3.337,1190 3.262,1191 3.309,1192 3.131,1193 3.061,1194 4.704,1195 3.063,1196 3.051,1197 3.13,1198 2.854,1199 2.866,1200 4.195,1201 2.837,1202 2.913,1203 2.975,1204 2.716,1205 2.735,1206 4.001,1207 2.715,1208 0.173,1209 0.167,1210 0.26,1211 0.153,1212 0.121,1213 4.845,1214 0.168,1215 4.684,1216 0.084,1217 7.293,1218 0.443,1219 4.295,1220 0.11,1221 3.377,1222 4.697,1223 2.341,1224 12.408,1225 3.073,1226 1.978,1227 1.981,1228 2.068,1229 2.06,1230 1.419,1231 2.093,1232 1.9,1233 1.863,1234 2.024,1235 2.004,1236 1.229,1237 2.024,1238 1.728,1239 1.675,1240 1.937,1241 1.894,1242 1.173,1243 1.912,1244 1.573,1245 1.565,1246 1.741,1247 1.754,1248 0.892,1249 1.779,1250 1.447,1251 1.419,1252 1.567,1253 1.642,1254 0.825,1255 1.664,1256 1.219,1257 1.165,1258 1.51,1259 1.447,1260 0.683,1261 1.471,1262 1.033,1263 0.967,1264 1.264,1265 1.296,1266 0.463,1267 1.325,1268 0.886,1269 0.821,1270 1.181,1271 1.154,1272 0.297,1273 1.174,1274 4.043,1276 5.323,1278 6.786,1280 8.331,1282 9.921,1284 1.909,1289 8.714,1290 3.469,1291 2.703,1294 -0.01,1300 32.411,1301 84.93,1302 186.07,1303 242.56,1304 270.07,1305 276.825,1306 276.825,1307 85.618,1308 6.506,1309 96.36,1310 104.74,1311 12,1312 12.096,1313 4,1314 3.322,1315 58.21,1316 105,1317 121,1318 0.254,1319 208.043,1320 365.23,1321 499.385,1322 4875,1324 19.7,1325 0.73,1326 0.603,1327 19.95,1328 16.283,1329 12.882,1330 0.46,1331 0.377,1332 9.101,1333 11.697,1334 8.74,1335 7.312,1336 13.703,1337 10.547,1338 11.674,1339 0.316,1340 0.227,1341 12.997,1342 8.408,1343 8.453,1344 0.201,1345 0.14,1346 9.545,1347 5.89,1348 6.16,1349 0.131,1350 0.084,1351 7.015,1352 3.94,1353 4.794,1354 0.086,1355 0.053,1356 5.627,1357 2.954,1358 0.402,1359 88.584,1360 0.236,1361 26.302,1362 0.688,1363 130,1364 412.195,1365 178.391,1366 417.012,1367 541.91,1368 380,1369 144,1370 347.319,1371 197.382,1372 388.624,1373 551.6,1374 362,1375 7.301} {0 CHEMBL554418,1 1.496,2 8.941,3 1.888,4 3.565,5 69.193,6 6.695,7 0.294,8 3.603,9 3.734,10 3.046,11 3.076,12 4.742,13 3.039,14 4.104,15 4.305,16 3.339,17 3.41,18 5.283,19 3.341,20 4.349,21 4.585,22 3.195,23 3.561,24 5.277,25 3.424,26 4.522,27 4.808,28 3.164,29 3.62,30 5.359,31 3.431,32 4.483,33 4.801,34 2.902,35 3.451,36 5.298,37 3.236,38 4.092,39 4.391,40 2.743,41 3.132,42 4.949,43 2.961,44 3.864,45 4.122,46 2.657,47 2.948,48 4.873,49 2.818,50 3.739,51 3.991,52 2.563,53 2.811,54 4.76,55 2.695,56 0.024,57 0.48,58 7.92,59 3.123,60 8.612,61 4.433,62 0.202,63 0.724,64 13.733,65 4.757,66 39.322,67 7.087,68 0.184,69 0.851,70 17.732,71 6.132,72 30.16,73 9.145,74 0.158,75 0.926,76 21.167,77 7.639,78 35.629,79 11.521,80 0.232,81 0.83,82 20.86,83 6.556,84 41.954,85 10.355,86 0.141,87 0.57,88 13.956,89 4.629,90 27.736,91 7.071,92 0.137,93 0.46,94 11.127,95 3.592,96 27.68,97 5.32,98 0.131,99 0.402,100 9.854,101 3.055,102 28.436,103 4.536,104 25,105 22,106 0.28,107 0.642,108 0.82,109 0.845,110 0.845,111 0.845,112 2.904,113 0.983,114 -3.15,115 -3.14,116 -3.02,118 37.1,119 2,120 2,129 1,133 4,143 1,149 1,154 1,156 1,163 1,167 1,168 5,169 1,171 1,172 4,175 1,177 1,180 7,181 1,186 2,191 1,194 5,195 1,198 5,203 1,206 4,207 1,210 3,215 1,218 3,219 1,222 3,227 1,229 2,230 1,234 3,239 1,242 2,247 1,248 1,256 2,258 1,259 3,262 1,264 2,270 338,271 10.905,272 10.905,273 10.905,274 10.905,275 10.905,276 9.725,277 12.609,278 6.79,279 11.092,280 8.395,281 8.395,282 8.395,283 8.395,284 8.395,285 6.665,286 13.568,287 3.234,288 8.69,289 3.633,290 1.704,291 0.75,292 0.615,293 0.615,294 0.615,295 3.526,299 1,300 1,301 299,302 3.937,305 56.618,313 1.37,314 14.034,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 37,326 152,327 4.481,328 3.497,329 7.293,330 4.332,331 3.375,332 3.812,333 1.437,334 12.404,335 3.233,336 3.682,337 3.472,338 4.941,339 3.241,340 2.236,341 2.946,343 5.444,344 2.223,345 3.434,346 2.11,347 4.659,348 2.996,349 2.057,350 2.696,352 5.183,353 1.928,354 3.171,355 1.921,356 3.789,357 2.683,358 1.686,359 2.249,361 3.434,362 1.675,363 2.487,364 1.327,365 3.507,366 2.078,367 1.09,368 1.362,370 2.312,371 1.072,372 2.306,373 0.91,374 3.127,375 1.776,376 0.842,377 1.141,379 1.907,380 0.784,381 2.118,382 0.618,383 3,384 1.553,385 0.618,386 0.927,388 1.372,389 0.577,390 1.713,391 0.58,392 2.678,393 1.248,394 0.248,395 0.344,397 0.528,398 0.246,399 0.631,400 0.257,401 2.363,402 0.474,403 -0.533,404 -0.568,406 -1.203,407 -0.528,408 0.41,409 -0.306,410 2,412 -1,413 -1,415 -2,416 -0.963,417 0.064,418 -1,419 2,421 -1,422 -1.299,424 -2.874,425 -1,427 -1.058,428 1.347,429 -0.214,430 -1.195,431 -1.44,433 -2.977,434 -1.158,436 -1.112,437 1,438 -0.344,439 -1.273,440 -1.581,442 -3,443 -1.228,444 -0.118,445 -1.604,446 1,447 -0.679,448 -1.618,449 -1.968,451 -4.13,452 -1.477,453 -0.436,454 -1.618,455 0.694,456 -0.705,457 -1.67,458 -2.427,460 -4.372,461 -1.655,462 7.967,463 0.469,464 0.478,465 0.028,466 18.75,467 1.103,468 8.5,469 0.5,470 10.25,471 0.603,472 13.179,473 0.775,474 19.633,475 0.561,476 11.779,477 0.693,478 3.825,479 0.225,480 4.197,481 0.247,482 0.209,483 0.063,484 0.113,487 0.816,488 1.543,489 0.922,490 1.284,491 0.753,492 1.145,493 0.545,494 1.189,495 0.88,496 1.083,497 0.342,498 1.031,499 0.886,500 1.059,501 1.214,502 1.141,503 0.692,504 1.204,505 0.471,506 1.068,507 0.897,508 1.098,509 0.443,510 1.074,511 0.633,512 0.852,513 0.931,514 0.913,515 0.536,516 0.951,517 0.666,518 0.873,519 0.829,520 0.895,521 0.672,522 0.888,523 1.126,524 0.967,525 1.017,526 0.968,527 1.203,528 0.979,529 1.278,530 0.972,531 1.043,532 0.948,533 1.41,534 0.961,535 4,536 0.046,537 2,538 0.903,539 0.615,540 0.247,541 0.178,542 0.103,543 0.13,544 0.065,545 2392,546 7540,547 1.856,548 51.4,549 2,550 4,551 1,552 2,553 1,555 8,558 1.56,559 1.714,560 3.134,561 -0.256,563 1,564 1,565 1,567 52.361,568 1.496,569 3.426,570 4.379,571 4.515,572 4.515,573 4.515,574 2.514,575 3.337,576 4.057,577 3.325,578 452.204,579 6.814,580 4395.04,581 1,582 1,584 1,585 179.525,586 1.545,587 3.984,588 0.235,589 0.008,590 0.091,591 0.05,592 0.036,593 0.021,594 0.016,595 0.01,596 0.014,597 0.006,598 0.488,599 0.67,600 1,601 2.655,602 73.247,603 -0.053,604 -0.263,605 0.007,606 -0.095,607 -0.08,608 -0.049,609 0.225,610 -0.023,611 0.066,612 -0.024,613 0.301,614 -0.007,615 -0.163,616 0.026,617 -0.284,618 -0.117,619 -0.067,620 -0.199,621 0.042,622 -0.135,623 0.005,624 -0.092,625 0.044,626 -0.057,627 -0.016,628 0.04,629 -0.002,630 0.004,631 0.007,632 0.009,633 0.013,634 0.023,635 0.104,636 0.06,637 -0.013,638 0.094,639 -0.117,640 -0.031,641 -0.044,642 0.003,643 -0.149,644 -0.008,645 -0.15,646 -0.035,647 -0.052,648 0.008,649 -0.231,650 -0.005,651 2.589,652 3.216,653 0.294,654 12.699,655 0.998,656 1.135,657 1.921,658 3.69,659 0.629,660 2.89,661 3.135,662 3.178,663 3.219,664 3.045,665 2.996,666 2.708,667 2.639,668 2.708,669 2.398,670 5.554,671 0.591,672 234.33,673 2.89,674 4.369,675 5.13,676 5.958,677 6.749,678 7.585,679 8.391,680 9.234,681 10.049,682 10.896,683 5.7,691 1,693 1,699 3,700 1,705 1,706 5,724 35,726 8,728 17,730 35,731 13,733 3,736 5,739 1,740 1,745 2,751 2,753 8,754 5,755 1,756 3,761 1,763 4,765 1,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,822 4,830 1,832 1,836 2,840 17,845 1,846 2,852 1,862 5.7,864 1,865 1,869 9.917,870 6.6,871 3.875,872 1.978,874 1.58,875 1.295,876 0.857,877 5.011,878 6.937,879 3.157,880 3.59,881 3.939,882 4.256,883 4.203,884 4.312,885 4.109,886 4.243,887 4.613,888 4.627,889 0.833,890 18,891 6.222,893 2.42,894 7.966,895 11.737,897 8.845,899 2.466,900 41.917,901 0.001,904 200.109,905 88.248,906 18.685,908 67.828,911 88.248,912 267.937,913 18.685,914 17.65,915 5.069,916 46.952,917 117.684,918 10.947,919 11.771,920 164.795,922 200.109,923 106.932,924 67.828,927 105.94,928 161.997,931 42.285,932 9.957,933 54.691,935 200.109,936 86.513,937 88.248,940 200.109,941 5.979,942 84.168,944 84.614,945 200.109,946 86.513,947 88.248,949 0.565,950 0.288,951 0.131,952 0.054,953 8,954 4,955 0.171,956 6,958 1,959 2.98,960 98.402,962 5,963 67.487,968 13.558,969 6.283,970 4.897,972 84.614,973 5.537,974 4.034,979 2.077,980 42.683,981 374.869,982 22.5,987 10.216,989 6.389,991 -0.923,994 34.927,995 39.737,996 0.292,997 0.668,998 0.854,999 0.88,1000 0.88,1001 0.88,1002 4.347,1003 0.248,1004 5.142,1005 1.372,1006 3.807,1007 4.27,1008 1.635,1009 5.932,1010 3.738,1011 5.541,1012 -0.533,1013 6.708,1014 0.528,1015 3.611,1016 3.922,1018 7.345,1019 3.507,1020 6.829,1021 -1,1022 8.423,1023 -1.203,1024 5.451,1025 6.267,1026 2.253,1027 10.294,1028 5.303,1029 8.161,1030 -1,1031 10.237,1032 -2,1033 6.133,1034 6.761,1036 12.534,1037 5.935,1038 9.529,1039 -1.195,1040 12.114,1041 -2.874,1042 7.527,1043 8.547,1044 2.922,1045 15.164,1046 7.289,1047 10.924,1048 -1.273,1049 14.032,1050 -2.977,1051 8.553,1052 9.45,1054 17.607,1055 8.263,1056 12.34,1057 -1.618,1058 15.975,1059 -3,1060 9.817,1061 10.991,1062 3.619,1063 20.159,1064 9.487,1065 3.375,1066 -1.67,1067 17.934,1068 -4.13,1069 10.968,1070 12.108,1072 22.655,1073 10.589,1074 2.236,1075 12.404,1076 19.902,1077 -4.372,1078 12.196,1079 13.536,1080 4.33,1081 25.185,1082 11.775,1083 2.057,1084 5.444,1085 21.878,1086 3.812,1087 13.389,1088 14.764,1090 27.696,1091 12.922,1092 1.686,1093 5.183,1094 23.857,1095 2.946,1096 14.608,1097 16.141,1098 5.047,1099 30.217,1100 14.099,1101 1.09,1102 3.434,1103 25.839,1104 2.696,1105 15.816,1106 17.425,1108 32.733,1109 15.262,1110 0.842,1111 2.312,1112 27.823,1113 2.249,1114 17.033,1115 18.779,1116 5.769,1117 35.252,1118 16.436,1119 0.618,1120 1.907,1121 29.807,1122 1.362,1123 18.246,1124 20.09,1126 37.77,1127 17.606,1128 2576,1129 4655,1130 10.515,1131 22.012,1132 25.607,1133 24.789,1134 24.577,1135 24.287,1136 24.301,1137 30.952,1138 2.873,1139 65.169,1140 23.477,1141 5.32,1142 5.361,1143 7.105,1144 5.366,1145 5.357,1146 6.423,1147 2.873,1148 19.565,1149 5.181,1150 9.864,1151 1.506,1152 1.458,1153 1.446,1154 1.429,1155 1.429,1156 1.821,1157 0.169,1158 3.833,1159 1.381,1160 3.983,1161 4.045,1162 3.915,1163 3.815,1164 7.476,1165 3.828,1166 3.743,1167 3.782,1168 3.659,1169 3.625,1170 6.351,1171 3.628,1172 3.55,1173 3.599,1174 3.436,1175 3.391,1176 4.958,1177 3.394,1178 3.346,1179 3.393,1180 3.215,1181 3.161,1182 4.509,1183 3.164,1184 2.989,1185 3.046,1186 2.798,1187 2.735,1188 4.196,1189 2.743,1190 2.874,1191 3.009,1192 2.499,1193 2.618,1194 3.849,1195 2.57,1196 2.601,1197 2.681,1198 2.358,1199 2.322,1200 3.467,1201 2.326,1202 2.494,1203 2.591,1204 2.28,1205 2.296,1206 3.379,1207 2.288,1208 0.264,1209 0.206,1210 0.429,1211 0.255,1212 0.199,1213 4.481,1214 0.224,1215 3.497,1216 0.085,1217 7.293,1218 0.73,1219 4.332,1220 0.19,1221 3.375,1222 3.812,1223 1.437,1224 12.404,1225 3.233,1226 1.846,1227 1.795,1228 2.037,1229 2.004,1230 1.331,1231 2.017,1232 1.674,1233 1.635,1234 1.848,1235 1.825,1236 0.95,1237 1.83,1238 1.375,1239 1.33,1240 1.596,1241 1.593,1242 0.688,1243 1.587,1244 1.309,1245 1.248,1246 1.519,1247 1.528,1248 0.536,1249 1.524,1250 1.142,1251 1.058,1252 1.417,1253 1.414,1254 0.469,1255 1.418,1256 0.934,1257 0.873,1258 1.365,1259 1.239,1260 0.311,1261 1.308,1262 0.932,1263 0.804,1264 1.228,1265 1.234,1266 0.27,1267 1.232,1268 0.533,1269 0.471,1270 0.897,1271 0.893,1273 0.911,1274 3.555,1276 4.812,1277 2.398,1278 6.232,1279 4.443,1280 7.74,1281 6.326,1282 9.303,1284 4.297,1289 8.393,1290 1.871,1296 0.025,1300 20.687,1301 52.361,1302 119.899,1303 153.26,1304 158.015,1305 158.015,1306 158.015,1307 33.35,1308 5.357,1309 55.12,1310 55.12,1311 5,1312 11.464,1313 3.17,1314 2.7,1315 38.589,1316 56,1317 51,1318 0.337,1319 135.022,1320 236.58,1321 321.213,1322 1080,1324 12.726,1325 0.749,1326 0.6,1327 12.726,1328 10.206,1329 8.022,1330 0.472,1331 0.328,1332 5.497,1333 7.698,1334 5.266,1335 4.476,1336 8.022,1337 5.568,1338 7.317,1339 0.333,1340 0.202,1341 7.317,1342 4.447,1343 4.813,1344 0.209,1345 0.114,1346 4.813,1347 2.612,1348 3.398,1349 0.142,1350 0.062,1351 3.398,1352 1.496,1353 1.912,1354 0.096,1355 0.038,1356 1.912,1357 0.754,1358 0.545,1359 50.337,1360 0.308,1361 17.868,1362 0.872,1363 78,1364 243.175,1365 86.619,1366 235.217,1367 304.32,1368 216,1369 84,1370 210.3,1371 91.015,1372 214.658,1373 298.61,1374 198,1375 6.347} {0 CHEMBL554568,1 1.554,2 8.765,3 1.888,4 3.566,5 64.636,6 7.429,7 0.611,8 3.525,9 3.638,10 3.077,11 3.052,12 4.698,13 3.036,14 4.012,15 4.182,16 3.356,17 3.409,18 5.242,19 3.358,20 4.221,21 4.443,22 3.22,23 3.477,24 5.233,25 3.361,26 4.254,27 4.503,28 3.055,29 3.362,30 5.28,31 3.227,32 4.108,33 4.378,34 2.835,35 3.181,36 5.022,37 3.03,38 3.866,39 4.146,40 2.774,41 3.003,42 4.719,43 2.881,44 3.685,45 3.89,46 2.774,47 2.899,48 4.822,49 2.831,50 3.631,51 3.853,52 2.574,53 2.743,54 4.765,55 2.655,56 0.032,57 0.44,58 6.222,59 2.759,60 8.14,61 3.561,62 0.212,63 0.688,64 11.204,65 4.351,66 32.365,67 5.906,68 0.123,69 0.763,70 14.821,71 5.896,72 22.787,73 8.155,74 0.204,75 0.733,76 16.404,77 5.813,78 37.242,79 8.12,80 0.188,81 0.625,82 14.539,83 5.022,84 34.407,85 7.205,86 0.115,87 0.519,88 11.193,89 3.798,90 17.85,91 5.682,92 0.136,93 0.432,94 8.869,95 3.034,96 24.579,97 4.071,98 0.136,99 0.395,100 8.637,101 2.784,102 26.37,103 3.803,104 6,105 23,106 0.295,107 0.676,108 0.83,109 0.855,110 0.855,111 0.855,112 2.905,113 0.923,114 -3.34,115 -3.32,116 -3.18,118 41.9,120 2,124 1,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 9,181 2,186 3,191 2,194 7,195 2,198 4,203 2,206 3,207 1,210 4,215 1,218 1,219 1,222 4,227 1,230 1,234 4,239 1,247 2,248 1,258 1,259 1,262 1,270 319,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.994,277 10.659,278 7.026,279 11.673,280 8.884,281 8.884,282 8.884,283 8.884,284 8.884,285 6.697,286 7.539,287 3.337,288 9.176,289 3.4,290 1.392,291 0.581,292 0.452,293 0.452,294 0.452,295 3.561,299 1,300 1,301 310,302 2.739,305 53.19,306 59.385,313 1.543,314 14.896,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37,326 149,327 4.165,328 3.576,329 5.929,330 3.786,331 2.785,332 3.756,333 1.437,334 8.227,335 2.78,336 3.921,337 2.744,338 5.364,339 3.473,340 2.548,341 3.479,343 7.02,344 2.394,345 3.695,346 2.617,347 5.285,348 3.345,349 2.354,350 3.036,352 6.761,353 2.287,354 2.817,355 1.958,356 3.814,357 2.441,358 1.465,359 1.848,361 3.161,362 1.423,363 2.691,364 1.454,365 3.579,366 2.233,367 1.251,368 1.73,370 2.839,371 1.213,372 2.5,373 1,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.144,382 0.956,383 3.16,384 1.851,385 0.888,386 1.078,388 1.969,389 0.851,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.215,400 0.468,401 2.508,402 0.948,403 -0.033,404 -0.039,406 -0.078,407 -0.032,408 0.699,409 0.142,410 2,411 0.363,412 -0.621,413 -0.757,415 -1.418,416 -0.601,417 0.5,418 -0.505,419 1.891,421 -1,422 -1.316,424 -2,425 -0.968,426 0.422,427 -1,428 1.58,429 -0.009,430 -1,431 -1.5,433 -2.829,434 -1,435 0.036,436 -1.03,437 1.023,438 -0.285,439 -1.237,440 -1.516,442 -3,443 -1.187,444 -0.118,445 -1.502,446 1,447 -0.644,448 -1.618,449 -1.886,451 -4.249,452 -1.474,453 -0.379,454 -1.618,455 1,456 -0.705,457 -1.621,458 -2.326,460 -4.372,461 -1.582,462 7.967,463 0.469,464 0.332,465 0.02,466 22.25,467 1.309,468 11.5,469 0.676,470 10.75,471 0.632,472 10.197,473 0.6,474 18.433,475 0.595,476 13.396,477 0.788,478 4.543,479 0.267,480 3.711,481 0.218,482 0.084,484 0.238,487 0.804,488 1.364,489 0.8,490 1.099,491 0.702,492 0.975,493 0.588,494 0.991,495 0.94,496 0.995,497 0.382,498 1.008,499 0.658,500 1.076,501 1.011,502 1.182,503 0.6,504 1.162,505 0.941,506 0.995,507 1.068,508 1.088,509 0.929,510 1.101,511 0.84,512 0.958,513 0.977,514 0.985,515 0.879,516 1.008,517 0.536,518 0.899,519 0.766,520 0.861,521 0.406,522 0.843,523 1.301,524 1.029,525 1.084,526 0.961,527 1.326,528 0.984,529 1.377,530 1.135,531 1.191,532 1.074,533 1.465,534 1.099,535 3,536 0.046,537 1.556,538 0.597,539 0.387,540 0.406,541 0.168,542 0.078,543 0.079,544 0.087,545 2673,546 8340,547 2.028,548 45.2,549 2,550 6,551 1,552 2,553 1,555 2,558 1.558,559 1.925,560 3.137,561 -0.256,563 1,564 1,565 1,567 48.171,568 1.554,569 3.562,570 4.374,571 4.503,572 4.503,573 4.503,574 2.542,575 3.499,576 4.059,577 3.301,578 448.873,579 6.81,580 4269.98,582 1,584 1,585 153.58,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.031,592 0.026,593 0.034,594 0.014,595 0.007,596 0.009,597 0.014,598 0.377,599 0.67,600 1,601 0.844,602 72.786,603 -0.072,604 -0.203,605 0.02,606 -0.041,607 -0.061,608 -0.007,609 0.155,610 0.142,611 -0.068,612 0.002,613 0.231,614 -0.054,615 -0.018,616 -0.102,617 -0.106,618 -0.167,619 0.037,620 -0.151,621 -0.077,622 -0.087,623 -0.096,624 -0.113,625 -0.042,626 -0.107,627 -0.043,628 -0.076,629 0.008,630 -0.016,631 -0.073,633 0.051,634 0.041,635 0.2,636 0.097,637 0.064,638 0.169,639 -0.204,640 -0.049,641 -0.115,642 0.006,643 -0.205,644 -0.034,645 -0.215,646 -0.187,647 -0.195,648 -0.135,649 -0.26,650 -0.161,651 2.546,652 3.671,653 0.647,654 13.253,655 1.005,656 1.126,657 2.106,658 4.437,659 0.661,660 2.944,661 3.178,662 3.332,663 3.434,664 3.434,665 3.434,666 3.367,667 3.219,668 3.296,669 3.367,670 5.414,671 0.633,672 230.29,673 2.944,674 4.419,675 5.209,676 6.023,677 6.828,678 7.643,679 8.451,680 9.268,681 10.077,682 10.894,683 6.5,691 1,693 1,699 7,700 1,704 2,705 1,706 11,714 1,724 31,726 12,727 1,728 18,730 32,731 13,733 9,734 2,735 4,736 1,739 2,740 2,751 2,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,830 1,832 2,840 17,845 1,846 3,862 6.5,864 1,865 1,869 8.833,870 5.35,871 3.861,872 1.813,874 1.944,875 1.334,876 0.929,877 3.809,878 7.767,879 3.239,880 3.755,881 4.229,882 4.668,883 4.886,884 4.945,885 5.007,886 4.822,887 5.183,888 5.614,889 0.833,890 19,891 6.242,893 2.552,894 7.941,895 11.794,897 9.26,899 2.441,900 41.5,901 0.001,904 153.024,905 79.074,906 18.685,908 67.828,911 79.074,912 220.853,913 18.685,915 7.175,916 46.952,917 117.684,918 17.318,919 11.771,920 117.711,922 153.024,923 97.759,924 67.828,927 129.482,928 91.37,931 26.74,932 54.233,933 16.786,935 153.024,936 86.513,937 79.074,940 153.024,941 14.456,942 66.518,944 84.614,945 153.024,946 86.513,947 79.074,949 0.565,950 0.313,951 0.15,952 0.066,953 10,954 4,955 0.156,956 5,958 1,959 3.107,960 105.193,962 11,963 65.487,968 11.711,969 5.529,970 3.346,972 84.614,973 12.543,974 3.977,978 1.499,979 2.033,980 42.683,981 318.611,982 24.5,987 10.671,991 -0.88,994 31.16,995 34.907,996 0.314,997 0.719,998 0.883,999 0.909,1000 0.909,1001 0.909,1002 4.404,1003 0.618,1004 5.142,1005 1.969,1006 3.85,1007 4.437,1008 1.635,1009 5.814,1010 3.794,1011 5.569,1012 -0.033,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1018 6.457,1019 3.141,1020 6.828,1021 -0.621,1022 8.193,1023 -0.078,1024 5.313,1025 6.515,1026 2.253,1027 9.429,1028 5.21,1029 8.125,1030 -1,1031 9.824,1032 -1.418,1033 5.525,1034 6.915,1036 10.897,1037 5.402,1038 9.451,1039 -1,1040 11.492,1041 -2,1042 7.027,1043 8.84,1044 2.922,1045 13.312,1046 6.89,1047 10.796,1048 -1.237,1049 13.183,1050 -2.829,1051 7.623,1052 9.633,1054 15.109,1055 7.471,1056 12.156,1057 -1.618,1058 14.891,1059 -3,1060 8.864,1061 11.281,1062 3.619,1063 17.321,1064 8.704,1065 2.785,1066 -1.621,1067 16.609,1068 -4.249,1069 9.65,1070 12.28,1072 19.267,1073 9.481,1074 2.548,1075 8.227,1076 18.335,1077 -4.372,1078 10.768,1079 13.785,1080 4.33,1081 21.399,1082 10.594,1083 2.354,1084 7.02,1085 20.067,1086 3.756,1087 11.653,1088 14.901,1090 23.417,1091 11.476,1092 1.465,1093 6.761,1094 21.804,1095 3.479,1096 12.711,1097 16.327,1098 5.047,1099 25.52,1100 12.533,1101 1.251,1102 3.161,1103 23.545,1104 3.036,1105 13.649,1106 17.514,1108 27.575,1109 13.472,1110 1,1111 2.839,1112 25.29,1113 1.848,1114 14.679,1115 18.894,1116 5.769,1117 29.669,1118 14.503,1119 0.888,1120 2.275,1121 27.037,1122 1.73,1123 15.648,1124 20.125,1126 31.743,1127 15.475,1128 2684,1129 4822,1130 12.019,1131 20.489,1132 26.324,1133 26.445,1134 26.202,1135 25.81,1136 25.821,1137 34.705,1138 2.873,1139 67.249,1140 25.051,1141 5.036,1142 5.576,1143 5.587,1144 4.815,1145 4.785,1146 6.756,1147 2.873,1148 13.753,1149 4.78,1150 7.125,1151 1.462,1152 1.469,1153 1.456,1154 1.434,1155 1.434,1156 1.928,1157 0.16,1158 3.736,1159 1.392,1160 3.98,1161 4.029,1162 3.913,1163 3.896,1164 7.475,1165 3.893,1166 3.888,1167 3.932,1168 3.832,1169 3.701,1170 6.351,1171 3.727,1172 3.483,1173 3.533,1174 3.375,1175 3.332,1176 4.954,1177 3.33,1178 3.213,1179 3.223,1180 3.107,1181 2.967,1182 4.689,1183 2.997,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.974,1189 2.715,1190 2.802,1191 2.882,1192 2.623,1193 2.537,1194 3.674,1195 2.552,1196 2.485,1197 2.581,1198 2.278,1199 2.292,1200 3.573,1201 2.279,1202 2.386,1203 2.479,1204 2.198,1205 2.119,1206 3.341,1207 2.126,1208 0.231,1209 0.199,1210 0.329,1211 0.21,1212 0.155,1213 4.165,1214 0.209,1215 3.576,1216 0.08,1217 5.929,1218 0.457,1219 3.786,1220 0.154,1221 2.785,1222 3.756,1223 1.437,1224 8.227,1225 2.78,1226 1.939,1227 1.915,1228 2.064,1229 2.03,1230 1.306,1231 2.042,1232 1.663,1233 1.6,1234 1.856,1235 1.868,1236 1.04,1237 1.865,1238 1.351,1239 1.299,1240 1.549,1241 1.551,1242 0.686,1243 1.55,1244 1.265,1245 1.204,1246 1.44,1247 1.519,1248 0.43,1249 1.499,1250 1.015,1251 0.986,1252 1.199,1253 1.331,1254 0.245,1255 1.284,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.654,1263 0.58,1264 1.02,1265 0.962,1266 0.023,1267 1,1268 0.314,1269 0.223,1270 0.752,1271 0.642,1273 0.685,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.78,1281 6.26,1282 9.318,1289 8.767,1290 2.89,1300 19.633,1301 48.171,1302 110.419,1303 135.58,1304 139.58,1305 139.58,1306 139.58,1307 24.539,1308 5.823,1309 55.12,1310 55.12,1311 11,1312 11.479,1313 3.7,1314 2.907,1315 28.801,1316 55,1317 41,1318 0.257,1319 124.701,1320 210.68,1321 296.03,1322 2157,1324 12.088,1325 0.711,1326 0.554,1327 12.088,1328 9.413,1329 8.254,1330 0.459,1331 0.308,1332 5.461,1333 7.935,1334 5.356,1335 4.464,1336 8.254,1337 5.535,1338 7.106,1339 0.309,1340 0.17,1341 7.106,1342 3.906,1343 5.534,1344 0.205,1345 0.098,1346 5.534,1347 2.642,1348 4.138,1349 0.138,1350 0.057,1351 4.138,1352 1.699,1353 2.64,1354 0.088,1355 0.034,1356 2.64,1357 1.011,1358 0.412,1359 51.791,1360 0.288,1361 17.778,1362 0.67,1363 82,1364 261.175,1365 89.953,1366 252.86,1367 332.86,1368 234,1369 91,1370 232.596,1371 98.347,1372 237.006,1373 336.52,1374 221,1375 8.301} {0 CHEMBL554597,1 1.576,2 7.385,3 0.861,4 0.741,5 48.65,6 6.75,7 0.385,8 3.366,9 3.497,10 2.816,11 2.782,12 4.479,13 2.762,14 3.892,15 4.101,16 3.03,17 3.115,18 5.055,19 3.038,20 4.114,21 4.388,22 2.72,23 3.134,24 4.976,25 2.968,26 4.042,27 4.336,28 2.615,29 3.011,30 4.876,31 2.842,32 3.884,33 4.17,34 2.509,35 2.846,36 4.778,37 2.696,38 3.696,39 3.972,40 2.392,41 2.647,42 4.67,43 2.525,44 3.464,45 3.716,46 2.284,47 2.427,48 4.597,49 2.321,50 3.159,51 3.418,52 2.226,53 2.107,54 4.456,55 2.09,56 0.034,57 0.372,58 6.238,59 2.259,60 7.503,61 3.325,62 0.222,63 0.541,64 11.233,65 3.54,66 34.832,67 5.436,68 0.228,69 0.539,70 14.467,71 4.373,72 36.558,73 6.784,74 0.218,75 0.48,76 13.546,77 3.896,78 34.063,79 6.198,80 0.2,81 0.407,82 11.603,83 3.175,84 31.032,85 5.091,86 0.182,87 0.334,88 9.66,89 2.454,90 28.001,91 3.984,92 0.239,93 0.26,94 7.742,95 1.934,96 25.226,97 3.066,98 0.073,99 0.184,100 5.546,101 1.281,102 12.139,103 2.112,104 11,105 15,106 0.32,107 0.643,108 0.818,109 0.889,110 0.889,111 0.889,112 2.659,113 1.03,114 -2.18,115 -2.22,116 -2.2,118 33.3,120 4,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 3,169 1,171 1,172 2,175 1,177 1,180 2,181 1,186 2,191 1,194 1,195 1,198 3,203 1,207 1,210 3,215 1,222 1,223 1,233 1,234 1,237 1,248 1,258 1,262 1,270 153,271 8.673,272 8.673,273 8.673,274 8.673,275 8.673,276 7.845,277 7.886,278 5.652,279 8.864,280 6.449,281 6.449,282 6.449,283 6.449,284 6.449,285 5.252,286 4.393,287 2.741,288 6.742,289 3.179,290 1.583,291 0.723,292 0.37,293 0.37,294 0.37,295 3.274,299 1,300 1,301 189,302 2.915,305 40.611,313 1.278,314 12.953,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 29,326 96,327 3.92,328 3.596,329 5.352,330 3.459,331 2.543,332 3.479,333 2.341,334 6.997,335 2.331,336 3.55,337 2.646,338 4.659,339 3.237,340 2.232,341 2.71,343 5.183,344 2.216,345 2.786,346 1.73,347 3.709,348 2.619,349 1.631,350 1.836,352 3.333,353 1.606,354 2.504,355 1.356,356 3.351,357 2.16,358 1.216,359 1.494,361 2.563,362 1.144,363 2.118,364 0.937,365 3,366 1.639,367 0.66,368 0.927,370 1.376,371 0.642,372 1.818,373 0.618,374 2.788,375 1.553,376 0.618,377 0.732,379 1.372,380 0.577,381 0.986,382 0.471,383 2.157,384 0.81,385 -0.173,386 -0.188,388 -0.378,389 -0.168,390 0.466,391 0.017,392 1.523,393 0.073,394 -0.933,395 -0.992,397 -2,398 -0.866,399 0.169,400 -0.623,401 1,402 -0.052,403 -1,404 -1.362,406 -2.154,407 -0.998,408 -0.118,409 -1.231,410 1,411 -0.475,412 -1.435,413 -1.668,415 -3.065,416 -1.388,417 -0.181,418 -1.618,419 0.845,420 -0.704,421 -1.618,422 -1.956,424 -4.1,425 -1.48,426 -0.609,427 -1.674,428 0.4,429 -0.799,430 -1.767,431 -2.427,432 -0.757,433 -4.372,434 -1.698,435 -0.909,436 -1.885,437 0.217,438 -1.021,439 -1.974,440 -2.585,441 -1.584,442 -4.756,443 -1.916,462 5.967,463 0.459,464 0.212,465 0.016,466 13.75,467 1.058,468 5.5,469 0.423,470 8.25,471 0.635,472 8.71,473 0.67,474 15.633,475 0.579,476 7.192,477 0.553,478 2.67,479 0.205,480 3.618,481 0.278,482 0.112,484 0.151,487 0.826,488 1.748,489 0.902,490 1.406,491 0.692,492 1.202,493 0.574,494 1.208,495 1.009,496 1.211,497 0.366,498 1.181,499 0.877,500 0.984,501 1.051,502 1.062,503 0.887,504 1.092,505 0.818,506 0.887,507 0.932,508 0.933,509 0.802,510 0.954,511 0.959,512 0.895,513 0.974,514 0.915,515 0.948,516 0.942,517 1.166,518 0.906,519 1.036,520 0.888,521 1.159,522 0.926,523 1.118,524 0.797,525 1.08,526 0.84,527 1.408,528 0.952,529 1.163,530 0.994,531 0.706,532 0.94,533 1.02,534 0.732,535 2,537 0.667,538 0.347,539 0.205,540 0.136,541 0.056,542 0.103,543 0.068,544 0.049,545 1192,546 3998,547 1.913,548 51.9,549 4,550 2,551 1,552 2,553 1,554 2,555 2,558 1.468,559 1.814,560 2.929,561 -0.127,565 1,567 42.55,568 1.576,569 3.172,570 4.032,571 4.385,572 4.385,573 4.385,574 2.258,575 2.931,576 3.675,577 3.066,578 239.133,579 6.015,580 1906.72,582 1,585 128.382,586 1.198,587 3.642,588 0.154,590 0.044,591 0.035,592 0.023,593 0.017,594 0.008,595 0.017,596 0.011,597 0.012,598 0.321,599 0.67,600 1,601 2.408,602 50.3,603 -0.076,604 -0.383,605 0.009,606 -0.145,607 -0.029,608 -0.07,609 0.166,610 -0.01,611 -0.086,612 -0.134,613 0.245,614 -0.153,615 -0.097,616 -0.058,617 -0.129,618 -0.077,619 -0.092,620 -0.106,621 -0.057,622 -0.01,623 -0.006,624 0.01,625 -0.059,626 0.014,627 -0.1,628 -0.012,629 -0.029,630 0.01,631 -0.101,632 0.008,633 -0.163,634 -0.016,635 -0.063,636 0.011,637 -0.16,639 0.094,640 0.109,641 -0.072,642 0.05,643 -0.162,644 -0.047,645 -0.013,646 -0.1,647 0.309,648 -0.069,649 0.155,650 0.176,651 2.373,652 3.176,653 0.385,654 7.941,655 1.006,656 1.145,657 0.949,658 0.902,659 0.611,660 2.639,661 2.773,662 2.773,663 2.833,664 2.565,665 2.485,666 2.398,667 2.398,668 2.197,669 1.946,670 4.752,671 0.579,672 182.25,673 2.639,674 4.043,675 4.762,676 5.525,677 6.263,678 7.031,679 7.778,680 8.547,681 9.3,682 10.071,683 7.4,691 1,693 1,699 3,700 1,705 1,706 5,724 27,726 6,728 13,730 27,731 9,733 3,739 1,740 1,751 4,753 4,754 5,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,840 13,845 1,846 5,862 7.4,864 1,865 1,869 7.167,870 4.517,871 3.083,872 1.694,874 0.926,875 1.189,876 0.866,877 4.367,878 5.824,879 2.862,880 3.229,881 3.477,882 3.841,883 3.414,884 3.38,885 3.346,886 3.446,887 3.446,888 3.446,889 0.8,890 10,891 4.773,892 -0.003,893 1.851,894 8.051,895 9.049,896 -0.001,897 6.802,898 -0.002,899 2.551,900 33.167,901 0.006,904 153.024,905 39.867,906 18.685,908 67.828,911 39.867,912 220.853,913 18.685,915 12.244,916 9.047,917 117.684,918 10.947,919 11.771,920 117.711,922 153.024,923 58.552,924 67.828,927 129.482,928 91.37,931 31.809,932 9.957,933 16.786,935 153.024,936 86.513,937 39.867,940 153.024,941 13.154,942 28.613,944 84.614,945 153.024,946 86.513,947 39.867,949 0.537,950 0.261,951 0.126,952 0.049,953 5,954 2,955 0.222,956 6,958 1,959 2.683,960 63.428,962 5,963 48.106,968 10.096,969 5.623,970 4.556,972 84.614,973 5.436,974 3.918,979 2.001,980 42.683,981 279.404,982 16.5,987 10.176,991 -0.706,994 27.16,995 30.907,996 0.331,997 0.667,998 0.848,999 0.922,1000 0.922,1001 0.922,1002 3.975,1003 -0.933,1004 4.635,1005 -0.378,1006 3.434,1007 3.902,1008 2.258,1009 5.165,1010 3.347,1011 5.068,1012 -1,1013 6.014,1014 -2,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.27,1021 -1.435,1022 7.484,1023 -2.154,1024 4.745,1025 5.783,1026 3.628,1027 8.429,1028 4.555,1029 7.506,1030 -1.618,1031 9.01,1032 -3.065,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.411,1038 8.775,1039 -1.767,1040 10.573,1041 -4.1,1042 6.282,1043 7.94,1044 5.201,1045 12,1046 5.97,1047 10.065,1048 -1.974,1049 12.163,1050 -4.372,1051 6.666,1052 8.683,1053 5.889,1054 13.616,1055 6.224,1056 11.37,1058 13.772,1059 -4.756,1060 7.941,1061 10.239,1062 6.849,1063 15.728,1064 7.489,1065 2.543,1067 15.396,1069 8.552,1070 11.213,1071 7.625,1072 17.524,1073 7.963,1074 2.232,1075 6.997,1076 17.029,1078 9.672,1079 12.62,1080 8.526,1081 19.537,1082 9.065,1083 1.631,1084 5.183,1085 18.671,1086 3.479,1087 10.412,1088 13.718,1089 9.342,1090 21.415,1091 9.668,1092 1.216,1093 3.333,1094 20.318,1095 2.71,1096 11.446,1097 15.049,1098 10.216,1099 23.388,1100 10.673,1101 0.66,1102 2.563,1103 21.97,1104 1.836,1105 12.261,1106 16.214,1107 11.051,1108 25.303,1109 11.357,1110 0.618,1111 1.376,1112 23.626,1113 1.494,1114 13.248,1115 17.504,1116 11.912,1117 27.259,1118 12.302,1119 -0.173,1120 1.372,1121 25.285,1122 0.927,1123 14.107,1124 18.706,1125 12.755,1126 29.19,1127 13.036,1128 1292,1129 2418,1130 8.436,1131 16.489,1132 18.16,1133 18.034,1134 18.026,1135 17.796,1136 17.8,1137 22.356,1138 4.682,1139 41.65,1140 17.029,1141 4.829,1142 5.481,1143 5.135,1144 4.48,1145 4.517,1146 6.064,1147 3.925,1148 11.753,1149 4.247,1150 5.962,1151 1.397,1152 1.387,1153 1.387,1154 1.369,1155 1.369,1156 1.72,1157 0.36,1158 3.204,1159 1.31,1160 3.938,1161 4.007,1162 3.867,1163 3.739,1164 7.474,1165 3.759,1166 3.707,1167 3.758,1168 3.585,1169 3.542,1170 6.351,1171 3.544,1172 3.401,1173 3.443,1174 3.271,1175 3.189,1176 4.953,1177 3.199,1178 3,1179 3.06,1180 2.816,1181 2.724,1182 4.091,1183 2.74,1184 2.587,1185 2.686,1186 2.34,1187 2.323,1188 3.715,1189 2.313,1190 2.462,1191 2.565,1192 2.244,1193 2.196,1194 3.361,1195 2.198,1196 2.226,1197 2.364,1198 1.92,1199 1.85,1200 3.242,1201 1.847,1202 2.039,1203 2.179,1204 1.773,1205 1.642,1206 2.798,1207 1.608,1208 0.302,1209 0.277,1210 0.412,1211 0.266,1212 0.196,1213 3.92,1214 0.268,1215 3.596,1216 0.18,1217 5.352,1218 0.538,1219 3.459,1220 0.179,1221 2.543,1222 3.479,1223 2.341,1224 6.997,1225 2.331,1226 1.773,1227 1.713,1228 2.006,1229 1.959,1230 1.347,1231 1.975,1232 1.548,1233 1.489,1234 1.758,1235 1.783,1236 1.013,1237 1.775,1238 1.314,1239 1.254,1240 1.517,1241 1.53,1242 0.631,1243 1.526,1244 1.202,1245 1.141,1246 1.414,1247 1.49,1248 0.416,1249 1.469,1250 0.828,1251 0.764,1252 1.157,1253 1.16,1254 0.239,1255 1.16,1256 0.449,1257 0.346,1258 0.894,1259 0.843,1260 0.003,1261 0.877,1262 0.155,1264 0.728,1265 0.586,1267 0.653,1270 0.629,1271 0.414,1273 0.495,1274 3.296,1276 4.466,1277 2.398,1278 5.771,1279 4.443,1280 7.141,1281 6.26,1282 8.55,1289 8.382,1290 3.96,1300 15.633,1301 42.55,1302 85.653,1303 108.872,1304 118.382,1305 118.382,1306 118.382,1307 20.772,1308 4.898,1309 55.12,1310 55.12,1311 5,1312 10.697,1313 2.807,1314 2.17,1315 25.317,1316 37,1317 27,1318 0.337,1319 102.507,1320 172.66,1321 241.877,1322 604,1324 9.519,1325 0.732,1326 0.578,1327 9.519,1328 7.517,1329 6.288,1330 0.484,1331 0.343,1332 4.389,1333 5.962,1334 4.323,1335 3.619,1336 6.288,1337 4.464,1338 5.182,1339 0.345,1340 0.2,1341 5.182,1342 3.005,1343 3.369,1344 0.225,1345 0.124,1346 3.369,1347 1.866,1348 2.461,1349 0.154,1350 0.073,1351 2.461,1352 1.166,1353 1.309,1354 0.109,1355 0.052,1356 1.309,1357 0.618,1358 0.548,1359 39.993,1360 0.344,1361 14.026,1362 0.859,1363 56,1364 201.175,1365 63.953,1366 189.321,1367 239.42,1368 174,1369 58,1370 158.596,1371 64.682,1372 158.355,1373 219.58,1374 147,1375 6} {0 CHEMBL554679,1 1.69,2 12.276,3 2.591,4 6.714,5 106.224,6 7.935,7 0.4,8 4.049,9 4.141,10 3.78,11 3.596,12 5.21,13 3.556,14 4.579,15 4.723,16 4.031,17 3.966,18 6.017,19 3.894,20 4.887,21 5.091,22 4.05,23 4.116,24 6.016,25 4.004,26 4.975,27 5.192,28 4.002,29 4.083,30 6.139,31 3.97,32 4.953,33 5.191,34 3.97,35 4.056,36 6.028,37 3.926,38 4.887,39 5.112,40 4.057,41 4.049,42 5.955,43 3.926,44 4.904,45 5.104,46 4.052,47 4.028,48 6.396,49 3.938,50 4.823,51 5.034,52 3.851,53 3.988,54 5.98,55 3.887,56 0.169,57 0.747,58 13.187,59 5.438,60 34.501,61 6.229,62 0.57,63 1.166,64 21.203,65 8.96,66 109.194,67 10.977,68 0.542,69 1.462,70 34.739,71 12.425,72 98.212,73 15.328,74 0.784,75 1.514,76 38.301,77 12.294,78 138.973,79 15.325,80 0.803,81 1.49,82 38.242,83 12.026,84 140.844,85 15.252,86 0.642,87 1.435,88 38.867,89 12.018,90 115.904,91 15.026,92 1.177,93 1.388,94 36.448,95 11.412,96 220.807,97 14.176,98 0.62,99 1.315,100 31.67,101 10.761,102 112.977,103 13.602,104 46,105 40,106 0.282,107 0.623,108 0.78,109 0.873,110 0.885,111 0.885,112 3.407,113 1.072,114 -2.75,115 -2.77,116 -2.68,118 37.7,120 5,121 1,124 1,140 6,141 2,142 1,143 2,154 2,163 2,167 2,168 12,169 2,171 1,172 4,175 4,177 3,180 11,181 3,186 9,191 7,194 8,195 3,198 10,203 7,206 5,207 1,210 8,213 1,215 4,218 6,219 1,222 6,223 2,227 2,228 1,229 9,230 1,233 4,234 6,237 3,238 1,239 2,242 11,243 1,247 6,252 1,253 1,255 11,256 2,259 6,260 1,262 1,263 1,264 2,267 8,268 3,270 1617,271 18.905,272 18.905,273 18.905,274 18.905,275 18.905,276 16.841,277 12.895,278 11.445,279 19.142,280 14.784,281 14.784,282 14.784,283 14.784,284 14.784,285 11.639,286 7.495,287 5.42,288 15.176,289 4.037,290 1.993,291 1.047,292 0.491,293 0.415,294 0.415,295 4.07,299 1,300 1,301 720,302 4.848,306 236.607,313 1.841,314 50.918,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.67,323 0.5,324 0.76,325 65,326 356,327 4.846,328 4.684,329 7.294,330 4.297,331 3.378,332 4.698,333 2.341,334 12.408,335 3.077,336 4.102,337 3.596,338 6.134,339 3.821,340 2.827,341 3.637,342 1.437,343 9.021,344 2.808,345 4.066,346 3.574,347 5.915,348 3.717,349 2.716,350 3.547,352 8.156,353 2.703,354 3.55,355 3.066,356 4.901,357 3.24,358 2.235,359 2.71,361 5.23,362 2.222,363 3.342,364 2.194,365 4.659,366 2.92,367 1.942,368 2.631,370 5.184,371 1.896,372 3.208,373 1.965,374 4.489,375 2.815,376 1.818,377 2.387,379 4.638,380 1.803,381 2.712,382 1.725,383 3.81,384 2.553,385 1.561,386 1.738,388 3.209,389 1.542,390 2.673,391 1.625,392 3.652,393 2.186,394 1.21,395 1.641,397 2.826,398 1.172,399 2.5,400 1.261,401 3.503,402 2.112,403 1.116,404 1.5,406 2.661,407 1.099,408 2.5,409 1.099,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.47,418 1,419 3.257,420 1.956,421 1,422 1.45,424 2.136,425 0.953,426 1.918,427 1,428 3.247,429 1.807,430 0.823,431 0.868,433 1.783,434 0.805,435 1.468,436 0.713,437 2.859,438 1.295,439 0.324,440 0.353,442 0.743,443 0.313,444 1,445 0.484,446 2.617,447 0.723,448 -0.274,449 -0.291,451 -0.61,452 -0.27,453 0.959,454 0.395,455 2.296,456 0.477,457 -0.501,458 -0.663,460 -1.194,461 -0.473,462 13.633,463 0.47,464 0.793,465 0.027,466 35.25,467 1.216,468 18,469 0.621,470 17.25,471 0.595,472 25.015,473 0.863,474 33.167,475 0.626,476 28.959,477 0.999,478 6.726,479 0.232,480 7.066,481 0.244,482 0.147,483 0.061,484 0.22,487 0.668,488 1.292,489 0.853,490 1.249,491 0.714,492 1.002,493 0.428,494 1.16,495 0.89,496 1.116,497 0.412,498 1.121,499 0.781,500 1.154,501 1.065,502 1.161,503 0.745,504 1.074,505 1.064,506 1.093,507 1.109,508 1.051,509 1.021,510 1.066,511 0.972,512 0.898,513 1.033,514 0.904,515 0.934,516 0.951,517 0.789,518 1.078,519 1.083,520 1.167,521 0.812,522 0.995,523 0.818,524 0.887,525 1.067,526 0.963,527 0.869,528 0.962,529 0.958,530 1.034,531 1.048,532 1.032,533 0.964,534 1.055,535 6.5,536 0.239,537 3.778,538 1.688,539 0.933,540 1.076,541 0.753,542 0.372,543 0.279,544 0.234,545 10314,546 37708,547 1.93,548 45.3,549 8,550 8,552 2,553 3,554 2,555 1,558 1.722,559 1.785,560 3.556,561 0.96,562 1,563 1,567 89.592,568 1.69,569 3.735,570 4.681,571 5.237,572 5.313,573 5.313,574 3,575 4.375,576 4.823,577 3.763,578 1527.96,579 8.419,580 21821.1,582 1,584 1,585 303.58,586 1.581,587 4.765,588 0.217,589 0.009,590 0.094,591 0.042,592 0.026,593 0.032,594 0.021,595 0.01,596 0.008,597 0.008,598 0.467,599 0.33,600 0.88,601 1.741,602 149.699,603 -0.012,604 -0.043,605 0.159,606 -0.003,607 -0.104,608 0.048,609 0.284,610 -0.017,611 0.004,612 -0.048,613 0.284,614 -0.108,615 -0.046,616 -0.129,617 -0.034,618 -0.077,619 -0.002,620 -0.036,621 -0.152,622 -0.105,623 -0.097,624 -0.057,625 -0.104,626 -0.078,627 -0.118,628 0.092,629 -0.006,630 0.08,631 -0.102,632 0.041,633 -0.02,634 -0.059,635 0.072,636 -0.048,637 -0.043,638 0.042,639 0.206,640 0.111,641 -0.025,642 0.043,643 0.193,644 0.013,645 -0.124,646 -0.043,647 -0.118,648 -0.055,649 -0.119,650 -0.054,651 4.71,652 5.561,653 0.414,654 32.889,655 1.018,656 1.127,657 1.522,658 2.317,659 0.656,660 3.434,661 3.714,662 3.85,663 3.951,664 4.111,665 4.174,666 4.248,667 4.025,668 4.078,669 4.159,670 7.349,671 0.629,672 420.53,673 3.434,674 4.949,675 5.746,676 6.589,677 7.41,678 8.26,679 9.093,680 9.947,681 10.787,682 11.645,683 3.8,685 1,693 1,699 8,700 1,704 3,706 12,714 1,724 53,726 16,727 1,728 30,730 54,731 20,733 11,734 2,735 4,736 1,739 2,740 2,751 5,753 13,754 7,755 1,756 4,760 1,761 4,765 2,769 1,772 24,773 8,774 3,775 9,776 1,779 2,784 1,785 6,795 1,802 2,818 1,830 2,832 2,834 1,840 29,844 1,845 2,846 6,847 1,850 1,862 11.3,864 2,865 4,869 16.25,870 8.933,871 6.514,872 3.129,874 1.866,875 1.279,876 0.905,877 8.62,878 8.546,879 3.714,880 4.248,881 4.625,882 5.024,883 5.473,884 5.608,885 5.926,886 5.361,887 5.582,888 5.925,889 1,890 40,891 11.029,893 4.924,894 8.296,895 19.877,897 16.081,899 2.796,900 81.083,903 1,904 247.193,905 105.28,906 33.191,908 179.969,910 5.807,911 99.472,912 427.163,913 33.191,915 14.778,916 79.07,917 222.117,918 26.017,920 223.651,922 247.193,923 132.663,924 179.969,925 5.807,927 235.422,928 191.741,931 49.278,932 66.599,933 22.593,935 247.193,936 213.16,937 105.28,939 5.807,940 247.193,941 24.52,942 74.952,943 16.405,944 196.755,945 247.193,946 213.16,947 105.28,949 0.574,950 0.308,951 0.142,952 0.075,953 15,954 8,955 0.222,956 12,958 1,959 4.026,960 227.972,962 12,963 134.881,967 1,968 22.856,969 10.937,970 7.484,972 213.16,973 12.014,974 4.091,978 0.905,980 101.772,981 565.633,982 40,986 -3.793,987 46.643,991 -1.947,994 53.963,995 59.74,996 0.295,997 0.652,998 0.817,999 0.914,1000 0.928,1001 0.928,1002 4.927,1003 1.21,1004 5.746,1005 3.209,1006 4.394,1007 4.934,1008 2.617,1009 6.532,1010 4.339,1011 6.137,1012 1.116,1013 7.307,1014 2.826,1015 4.111,1016 4.966,1017 2.243,1018 7.738,1019 3.976,1020 7.463,1021 1,1022 8.993,1023 2.661,1024 6.014,1025 7.16,1026 3.832,1027 10.706,1028 5.869,1029 8.835,1030 1,1031 10.76,1032 2.275,1033 6.567,1034 8.047,1035 4.112,1036 12.782,1037 6.309,1038 10.249,1039 0.823,1040 12.583,1041 2.136,1042 7.995,1043 9.802,1044 5.294,1045 15.386,1046 7.715,1047 11.694,1048 0.324,1049 14.443,1050 1.783,1051 8.91,1052 11.05,1053 5.889,1054 17.749,1055 8.506,1056 13.164,1057 -0.274,1058 16.332,1059 0.743,1060 10.173,1061 12.66,1062 6.886,1063 20.274,1064 9.722,1065 3.378,1066 -0.501,1067 18.24,1068 -0.61,1069 11.247,1070 14.067,1071 7.625,1072 22.733,1073 10.675,1074 2.827,1075 12.408,1076 20.164,1077 -1.194,1078 12.456,1079 15.628,1080 8.54,1081 25.244,1082 11.813,1083 2.716,1084 9.021,1085 22.1,1086 4.698,1087 13.6,1088 17.108,1089 9.342,1090 27.738,1091 12.841,1092 2.235,1093 8.156,1094 24.045,1095 3.637,1096 14.797,1097 18.654,1098 10.221,1099 30.25,1100 13.951,1101 1.942,1102 5.23,1103 25.998,1104 3.547,1105 15.973,1106 20.168,1107 11.051,1108 32.758,1109 15.014,1110 1.818,1111 5.184,1112 27.957,1113 2.71,1114 17.17,1115 21.71,1116 11.914,1117 35.272,1118 16.114,1119 1.561,1120 4.638,1121 29.92,1122 2.631,1123 18.362,1124 23.24,1125 12.755,1126 37.785,1127 17.197,1128 10514,1129 20280,1130 19.068,1131 34.762,1132 44.044,1133 45.531,1134 44.938,1135 43.956,1136 43.898,1137 57.321,1138 7.555,1139 120.54,1140 42.787,1141 5.801,1142 6.684,1143 7.095,1144 5.349,1145 5.378,1146 7.698,1147 3.925,1148 19.59,1149 5.077,1150 17.738,1151 1.468,1152 1.518,1153 1.498,1154 1.465,1155 1.463,1156 1.911,1157 0.252,1158 4.018,1159 1.426,1160 4.087,1161 4.074,1162 4.735,1163 4.069,1164 7.717,1165 3.988,1166 3.915,1167 3.949,1168 3.849,1169 3.829,1170 7.477,1171 3.825,1172 3.734,1173 3.786,1174 3.769,1175 3.604,1176 7.472,1177 3.59,1178 3.7,1179 3.695,1180 3.607,1181 3.595,1182 6.999,1183 3.543,1184 3.507,1185 3.537,1186 3.401,1187 3.345,1188 6.352,1189 3.338,1190 3.275,1191 3.31,1192 3.164,1193 3.061,1194 6.35,1195 3.069,1196 3.156,1197 3.147,1198 3.113,1199 2.869,1200 4.896,1201 2.909,1202 2.921,1203 2.979,1204 2.722,1205 2.735,1206 4.647,1207 2.715,1208 0.162,1209 0.156,1210 0.243,1211 0.143,1212 0.113,1213 4.846,1214 0.157,1215 4.684,1216 0.078,1217 7.294,1218 0.414,1219 4.297,1220 0.103,1221 3.378,1222 4.698,1223 2.341,1224 12.408,1225 3.077,1226 1.973,1227 1.979,1228 2.067,1229 2.059,1230 1.419,1231 2.088,1232 1.899,1233 1.863,1234 1.986,1235 2.001,1236 1.224,1237 2.019,1238 1.728,1239 1.675,1240 1.937,1241 1.894,1242 1.153,1243 1.911,1244 1.563,1245 1.561,1246 1.74,1247 1.752,1248 0.891,1249 1.765,1250 1.437,1251 1.418,1252 1.551,1253 1.641,1254 0.79,1255 1.652,1256 1.205,1257 1.164,1258 1.28,1259 1.45,1260 0.564,1261 1.443,1262 0.969,1263 0.967,1264 1.195,1265 1.311,1266 0.394,1267 1.266,1268 0.886,1269 0.821,1270 1.181,1271 1.161,1272 0.218,1273 1.163,1274 4.111,1276 5.398,1278 6.868,1280 8.419,1282 10.015,1289 17.64,1290 3.057,1291 2.585,1294 -0.11,1300 33.314,1301 89.592,1302 197.964,1303 248.07,1304 277.58,1305 281.58,1306 281.58,1307 110.137,1308 6.68,1309 133.66,1310 142.04,1311 12,1312 12.201,1313 4.087,1314 3.459,1315 65.382,1316 123,1317 135,1318 0.248,1319 213.108,1320 380.17,1321 511.744,1322 6147,1324 21.278,1325 0.734,1326 0.574,1327 21.528,1328 16.638,1329 13.793,1330 0.46,1331 0.357,1332 9.249,1333 12.466,1334 8.968,1335 7.451,1336 14.614,1337 10.724,1338 12.573,1339 0.314,1340 0.211,1341 13.896,1342 8.425,1343 9.152,1344 0.199,1345 0.13,1346 10.243,1347 5.97,1348 6.686,1349 0.131,1350 0.078,1351 7.541,1352 4,1353 5.009,1354 0.083,1355 0.048,1356 5.807,1357 2.876,1358 0.395,1359 95.203,1360 0.229,1361 27.982,1362 0.666,1363 140,1364 508.08,1365 192.819,1366 502.364,1367 643.23,1368 456,1369 156,1370 409.986,1371 212.704,1372 448.425,1373 639.64,1374 418,1375 5} {0 CHEMBL555076,1 1.585,2 8.737,3 1.742,4 3.035,5 70.276,6 7.438,7 0.55,8 3.65,9 3.758,10 3.2,11 3.128,12 4.835,13 3.126,14 4.152,15 4.317,16 3.561,17 3.476,18 5.388,19 3.467,20 4.381,21 4.537,22 3.508,23 3.571,24 5.623,25 3.515,26 4.475,27 4.714,28 3.289,29 3.537,30 5.541,31 3.437,32 4.232,33 4.455,34 3.301,35 3.491,36 5.302,37 3.389,38 4.279,39 4.52,40 3.086,41 3.345,42 5.377,43 3.218,44 3.963,45 4.247,46 2.694,47 2.903,48 4.911,49 2.781,50 3.442,51 3.63,52 2.601,53 2.548,54 4.489,55 2.51,56 0.055,57 0.488,58 7.159,59 3.136,60 9.553,61 3.997,62 0.261,63 0.746,64 13.285,65 4.845,66 41.268,67 6.441,68 0.485,69 0.829,70 17.572,71 6.294,72 45.412,73 7.994,74 0.502,75 0.854,76 21.472,77 6.626,78 72.324,79 9.035,80 0.133,81 0.767,82 14.982,83 6.001,84 19.879,85 8.412,86 0.315,87 0.714,88 17.03,89 5.768,90 39.91,91 8.094,92 0.231,93 0.484,94 13.183,95 3.947,96 35.282,97 5.808,98 0.135,99 0.319,100 6.881,101 2.191,102 13.447,103 3.03,104 20,105 28,106 0.293,107 0.665,108 0.782,109 0.803,110 0.803,111 0.803,112 3.009,113 0.891,114 -2.81,115 -2.82,116 -2.73,118 40,119 2,124 1,129 1,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,171 1,172 5,173 1,175 1,180 5,181 2,185 1,186 6,189 1,191 2,194 2,198 4,206 4,207 2,210 4,215 2,218 4,219 2,221 1,222 4,227 2,229 2,230 1,234 1,239 1,246 1,247 2,248 1,258 1,262 1,270 382,271 12.248,272 12.248,273 12.248,274 12.248,275 12.248,276 10.734,277 15.902,278 7.183,279 12.553,280 9.855,281 9.855,282 9.855,283 9.855,284 9.855,285 7.668,286 22.191,287 3.415,288 10.367,289 3.545,290 1.533,291 0.9,292 0.786,293 0.786,294 0.786,295 3.658,298 1,299 1,300 1,301 341,302 3.536,305 60.592,306 66.827,313 1.673,314 19.747,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42,326 166,327 4.438,328 4.099,329 7.224,330 4.304,331 3.352,332 3.721,333 2.423,334 12.052,335 3.18,336 4.07,337 3.003,338 5.618,339 3.677,340 2.714,341 3.531,342 0.922,343 7.783,344 2.624,345 3.849,346 2.862,347 5.336,348 3.37,349 2.432,350 3.387,351 0.522,352 6.86,353 2.266,354 3.394,355 2.454,356 4.971,357 2.988,358 2.029,359 2.686,361 5.851,362 1.932,363 2.767,364 2.18,365 4.242,366 2.343,367 1.351,368 1.711,370 3.198,371 1.306,372 2.583,373 1.252,374 3.428,375 2.087,376 1.163,377 1.609,379 2.564,380 1.072,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.448,400 0.61,401 3,402 1.138,403 0.2,404 0.238,406 0.508,407 0.186,408 0.82,409 0.427,410 2.631,411 0.539,412 -0.38,413 -0.443,415 -1.128,416 -0.347,417 0.5,418 -0.064,419 2,421 -0.947,422 -1,424 -2,425 -0.883,426 0.453,427 -0.695,428 2,430 -1,431 -1.162,433 -2.462,434 -0.961,435 0.348,436 -0.961,437 2,439 -1,440 -1.29,442 -3,443 -1,445 -1,446 1.861,447 -0.008,448 -1,449 -1.5,451 -3,452 -1,453 -0.114,454 -1,455 1.397,456 -0.537,457 -1.491,458 -1.724,460 -3.476,461 -1.388,462 8.8,463 0.463,464 0.615,465 0.032,466 24.25,467 1.276,468 12,469 0.632,470 12.25,471 0.645,472 13.341,473 0.702,474 21.2,475 0.606,476 16.372,477 0.862,478 4.926,479 0.259,480 4.045,481 0.213,482 0.189,483 0.057,484 0.216,487 0.844,488 1.456,489 0.796,490 1.208,491 0.771,492 1.027,493 0.788,494 0.998,495 0.773,496 0.961,497 0.445,498 0.861,499 1.221,500 1.194,501 1.249,502 1.255,503 0.86,504 1.269,505 1.373,506 0.739,507 1.132,508 0.75,509 1.548,510 0.875,511 0.475,512 1.139,513 0.841,514 1.178,515 0.481,516 1.102,517 0.908,518 1.035,519 1.071,520 1.115,521 1.037,522 1.134,523 0.946,524 0.849,525 0.842,526 0.847,527 1.057,528 0.827,529 1.069,530 1.446,531 1.027,532 1.318,533 0.722,534 1.199,535 5.5,536 0.086,537 2.222,538 0.972,539 0.897,540 0.368,541 0.393,542 0.195,543 0.13,544 0.135,545 3291,546 10362,547 1.952,548 45.7,550 6,551 1,552 2,553 1,555 6,558 1.596,559 1.795,560 3.116,561 -0.249,563 1,564 1,565 1,567 55.467,568 1.585,569 3.596,570 4.229,571 4.343,572 4.343,573 4.343,574 2.479,575 3.616,576 4.219,577 3.298,578 563.901,579 7.153,580 5715.22,581 1,582 1,584 1,585 179.525,586 1.657,587 4.146,588 0.275,589 0.009,590 0.079,591 0.041,592 0.045,593 0.018,594 0.026,595 0.02,596 0.014,597 0.014,598 0.54,599 0.5,600 1,601 1.368,602 83.829,603 -0.071,604 -0.258,605 0.032,606 -0.103,607 -0.114,608 -0.032,609 0.112,610 0.132,611 0.135,612 0.051,613 0.219,614 0.101,615 0.002,616 -0.195,617 -0.296,618 -0.24,619 0.034,620 -0.319,621 -0.257,622 0.164,623 -0.118,624 0.201,625 -0.267,626 0.09,627 0.059,628 -0.138,629 0.045,630 -0.128,631 0.089,632 -0.056,633 -0.024,634 -0.122,635 -0.099,636 -0.138,637 -0.076,638 -0.14,639 -0.028,640 -0.009,641 0.188,642 0.08,643 -0.047,644 0.166,645 0.052,646 -0.455,647 -0.048,648 -0.365,649 0.01,650 -0.263,651 2.657,652 3.969,653 0.579,654 15.374,655 1.011,656 1.129,657 1.582,658 2.504,659 0.649,660 3.045,661 3.367,662 3.497,663 3.584,664 3.664,665 3.611,666 3.761,667 3.807,668 3.714,669 3.611,670 5.457,671 0.625,672 260.32,673 3.045,674 4.575,675 5.38,676 6.236,677 7.062,678 7.916,679 8.748,680 9.601,681 10.436,682 11.288,683 5.7,691 1,693 1,699 7,700 1,704 2,705 1,706 11,722 1,724 35,726 12,727 1,728 20,730 36,731 14,733 9,734 2,735 4,739 2,740 2,745 2,753 10,754 4,755 1,756 1,761 1,765 1,768 1,769 1,772 16,773 4,774 1,775 5,778 1,779 2,784 1,785 3,801 1,802 1,818 1,830 1,832 2,836 2,840 19,845 1,846 1,848 1,852 1,862 8.6,864 1,865 1,867 1,869 10.583,870 6.767,871 4.125,872 1.896,874 1.973,875 1.326,876 0.895,877 3.907,878 8.03,879 3.314,880 3.866,881 4.285,882 4.713,883 5.033,884 5.134,885 5.524,886 5.859,887 6.013,888 6.157,889 0.833,890 24,891 6.997,893 2.914,894 7.987,895 13.004,897 10.176,899 2.487,900 47.25,901 0.001,904 176.567,905 93.713,906 18.685,908 78.828,911 93.713,912 255.395,913 18.685,914 17.65,915 2.106,916 46.952,917 117.684,918 30.375,919 11.771,920 141.253,922 176.567,923 112.398,924 78.828,927 105.94,928 149.455,931 39.321,932 56.291,933 16.786,935 176.567,936 97.513,937 93.713,940 176.567,941 11.445,942 84.168,944 95.614,945 176.567,946 97.513,947 93.713,949 0.592,950 0.326,951 0.139,952 0.068,953 13,954 6,955 0.139,956 5,958 1,959 3.144,960 128.597,962 11,963 74.711,968 13.622,969 5.449,970 3.579,972 95.614,973 12.733,974 3.977,978 1.639,979 1.955,980 42.683,981 367.793,982 26.5,987 10.969,991 -0.991,994 35.371,995 39.531,996 0.309,997 0.701,998 0.824,999 0.847,1000 0.847,1001 0.847,1002 4.541,1003 0.618,1004 5.416,1005 2.275,1006 4.043,1007 4.549,1008 2.546,1009 6.229,1010 3.945,1011 5.762,1012 0.2,1013 6.999,1014 1.372,1015 3.892,1016 4.35,1017 2.243,1018 7.503,1019 3.746,1020 7.076,1021 -0.38,1022 8.702,1023 0.508,1024 5.72,1025 6.65,1026 3.839,1027 10.429,1028 5.522,1029 8.425,1030 -0.947,1031 10.483,1032 -1.128,1033 6.365,1034 7.187,1035 4.238,1036 12.52,1037 6.113,1038 9.801,1039 -1,1040 12.314,1041 -2,1042 7.749,1043 8.988,1044 5.437,1045 15.103,1046 7.45,1047 11.197,1048 -1,1049 14.182,1050 -2.462,1051 8.715,1052 9.851,1053 6.111,1054 17.465,1055 8.359,1056 12.608,1057 -1,1058 16.077,1059 -3,1060 9.959,1061 11.429,1062 7.138,1063 19.973,1064 9.557,1065 3.352,1066 -1.491,1067 17.992,1068 -3,1069 11.058,1070 12.461,1071 7.928,1072 22.422,1073 10.6,1074 2.714,1075 12.052,1076 19.922,1077 -3.476,1078 12.263,1079 13.923,1080 8.878,1081 24.914,1082 11.756,1083 2.432,1084 7.783,1085 21.864,1086 3.721,1087 13.419,1088 15.051,1089 9.719,1090 27.39,1091 12.856,1092 2.029,1093 6.86,1094 23.814,1095 3.531,1096 14.616,1097 16.448,1098 10.635,1099 29.879,1100 14.001,1101 1.351,1102 5.851,1103 25.771,1104 3.387,1105 15.798,1106 17.635,1107 11.499,1108 32.364,1109 15.128,1110 1.163,1111 3.198,1112 27.733,1113 2.686,1114 16.996,1115 18.993,1116 12.399,1117 34.853,1118 16.274,1119 1,1120 2.564,1121 29.698,1122 1.711,1123 18.19,1124 20.217,1125 13.274,1126 37.34,1127 17.413,1128 3361,1129 6038,1130 12.712,1131 22.705,1132 30.483,1133 30.269,1134 30.07,1135 29.728,1136 29.716,1137 38.62,1138 7.733,1139 84.927,1140 28.286,1141 5.265,1142 6.099,1143 6.839,1144 5.369,1145 5.352,1146 6.721,1147 4.104,1148 18.92,1149 5.18,1150 10.457,1151 1.524,1152 1.513,1153 1.503,1154 1.486,1155 1.486,1156 1.931,1157 0.387,1158 4.246,1159 1.414,1160 3.998,1161 4.044,1162 3.939,1163 3.884,1164 7.474,1165 3.889,1166 3.826,1167 3.865,1168 3.768,1169 3.638,1170 6.351,1171 3.665,1172 3.677,1173 3.708,1174 3.595,1175 3.517,1176 4.967,1177 3.528,1178 3.084,1179 3.138,1180 2.985,1181 2.927,1182 4.824,1183 2.926,1184 3.026,1185 3.047,1186 2.859,1187 2.735,1188 4.36,1189 2.715,1190 2.874,1191 3.009,1192 2.687,1193 2.637,1194 3.84,1195 2.699,1196 2.854,1197 2.925,1198 2.499,1199 2.618,1200 3.674,1201 2.57,1202 2.563,1203 2.631,1204 2.406,1205 2.357,1206 3.562,1207 2.352,1208 0.222,1209 0.205,1210 0.361,1211 0.215,1212 0.168,1213 4.438,1214 0.186,1215 4.099,1216 0.121,1217 7.224,1218 0.603,1219 4.304,1220 0.159,1221 3.352,1222 3.721,1223 2.423,1224 12.052,1225 3.18,1226 1.918,1227 1.893,1228 2.031,1229 2.029,1230 1.181,1231 2.03,1232 1.65,1233 1.615,1234 1.867,1235 1.861,1236 1.031,1237 1.856,1238 1.489,1239 1.426,1240 1.658,1241 1.702,1242 0.785,1243 1.694,1244 1.291,1245 1.222,1246 1.468,1247 1.525,1248 0.469,1249 1.513,1250 0.934,1251 0.845,1252 1.417,1253 1.276,1254 0.436,1255 1.308,1256 0.898,1257 0.821,1258 1.181,1259 1.239,1260 0.218,1261 1.208,1262 0.886,1263 0.817,1264 1.151,1265 1.099,1266 0.209,1267 1.118,1268 0.83,1269 0.804,1270 1.039,1271 1.062,1273 1.107,1274 3.714,1276 5.03,1277 2.398,1278 6.518,1279 4.443,1280 8.076,1281 6.26,1282 9.67,1284 3.045,1289 8.993,1290 0.725,1292 5.435,1296 -1.23,1300 21.875,1301 55.467,1302 125.873,1303 148.015,1304 152.015,1305 152.015,1306 152.015,1307 33.352,1308 6.057,1309 64.35,1310 64.35,1311 11,1312 11.848,1313 3.7,1314 2.907,1315 33.928,1316 64,1317 47,1318 0.273,1319 138.289,1320 236.77,1321 329.186,1322 2736,1324 13.88,1325 0.731,1326 0.574,1327 13.88,1328 10.907,1329 8.971,1330 0.449,1331 0.297,1332 5.841,1333 8.535,1334 5.617,1335 4.711,1336 8.971,1337 5.943,1338 8.62,1339 0.308,1340 0.171,1341 8.62,1342 4.796,1343 6.485,1344 0.203,1345 0.085,1346 6.485,1347 2.736,1348 4.368,1349 0.125,1350 0.045,1351 4.368,1352 1.592,1353 3.151,1354 0.083,1355 0.025,1356 3.151,1357 0.961,1358 0.431,1359 56.856,1360 0.28,1361 19.338,1362 0.738,1363 96,1364 318.911,1365 108.825,1366 302.832,1367 400.7,1368 280,1369 108,1370 287.869,1371 120.717,1372 290.271,1373 414.26,1374 269,1375 7.602} {0 CHEMBL555077,1 1.463,2 9,3 2.236,4 4.999,5 62.427,6 6.232,7 0.313,8 3.627,9 3.768,10 3.006,11 3.065,12 4.655,13 3.016,14 4.189,15 4.411,16 3.241,17 3.431,18 5.213,19 3.324,20 4.46,21 4.738,22 3.088,23 3.513,24 5.286,25 3.335,26 4.493,27 4.787,28 2.918,29 3.431,30 5.342,31 3.238,32 4.334,33 4.645,34 2.798,35 3.294,36 5.074,37 3.092,38 4.178,39 4.478,40 2.71,41 3.154,42 4.973,43 2.97,44 4.042,45 4.336,46 2.615,47 3.011,48 4.884,49 2.842,50 3.884,51 4.169,52 2.522,53 2.832,54 4.792,55 2.684,56 0.031,57 0.489,58 8.752,59 3.281,60 7.429,61 4.825,62 0.231,63 0.735,64 15.451,65 5.265,66 37.247,67 7.966,68 0.181,69 0.793,70 19.741,71 6.627,72 30.423,73 10.082,74 0.313,75 0.739,76 20.683,77 6.219,78 49.049,79 9.605,80 0.206,81 0.647,82 17.284,83 5.418,84 30.602,85 8.485,86 0.185,87 0.561,88 14.892,89 4.556,90 27.704,91 7.147,92 0.172,93 0.487,94 13.068,95 3.844,96 25.972,97 6.077,98 0.152,99 0.413,100 11.252,101 3.069,102 23.978,103 4.972,104 18,105 19,106 0.276,107 0.554,108 0.741,109 0.837,110 0.887,111 0.887,112 2.847,113 1.103,114 -3.06,115 -3.05,116 -2.94,118 33.3,119 1,120 5,121 1,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 6,169 1,171 1,172 2,175 1,177 1,180 5,181 2,186 3,191 2,194 4,195 1,198 3,203 1,206 3,207 1,210 3,215 1,218 2,219 1,222 3,227 1,229 1,230 1,234 3,239 1,247 2,248 1,258 1,259 1,262 1,270 274,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.784,277 9.098,278 6.731,279 10.778,280 7.891,281 7.891,282 7.891,283 7.891,284 7.891,285 6.721,286 6.535,287 3.218,288 8.183,289 3.707,290 2.232,291 1.242,292 0.73,293 0.465,294 0.465,295 3.474,299 1,300 1,301 284,302 3.536,305 53.736,313 1.5,314 14.621,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 35,326 144,327 3.92,328 3.711,329 5.736,330 3.647,331 2.644,332 3.479,333 2.341,334 7.414,335 2.637,336 3.832,337 2.646,338 5.352,339 3.458,340 2.542,341 2.989,343 6.997,344 2.328,345 2.863,346 2.042,347 3.893,348 2.779,349 1.784,350 1.888,352 3.651,353 1.772,354 2.677,355 1.701,356 3.641,357 2.393,358 1.414,359 1.694,361 3.01,362 1.376,363 2.423,364 1.353,365 3.361,366 2.119,367 1.155,368 1.368,370 2.488,371 1.103,372 2.118,373 0.925,374 3,375 1.766,376 0.783,377 0.927,379 1.641,380 0.764,381 1.932,382 0.618,383 2.912,384 1.554,385 0.618,386 0.864,388 1.372,389 0.577,390 1.243,391 0.447,392 2.376,393 1.144,394 0.159,395 0.168,397 0.334,398 0.156,399 0.547,400 0.192,401 1.88,402 0.438,403 -0.538,404 -0.565,406 -1.185,407 -0.523,408 0.43,409 -0.459,410 1.41,412 -1,413 -1.167,415 -2,416 -0.961,417 0.037,418 -0.969,419 1.206,420 -0.143,421 -1.11,422 -1.282,424 -2.494,425 -1.072,426 -0.118,427 -1.043,428 1,429 -0.438,430 -1.414,431 -1.577,433 -3.122,434 -1.395,435 -0.266,436 -1.504,437 1,438 -0.619,439 -1.594,440 -1.802,442 -3.658,443 -1.476,444 -0.461,445 -1.618,446 0.677,447 -0.705,448 -1.618,449 -1.972,451 -4.372,452 -1.568,453 -0.734,454 -1.773,455 0.385,456 -0.868,457 -1.841,458 -2.427,459 -0.757,460 -4.747,461 -1.774,462 7.467,463 0.467,464 0.302,465 0.019,466 15.25,467 0.953,468 5.5,469 0.344,470 9.75,471 0.609,472 13.704,473 0.857,474 19.533,475 0.543,476 8.022,477 0.501,478 2.644,479 0.165,480 5.054,481 0.316,482 0.156,484 0.188,487 0.812,488 1.694,489 0.995,490 1.428,491 0.698,492 1.267,493 0.553,494 1.214,495 1.029,496 1.221,497 0.366,498 1.191,499 0.749,500 1.093,501 0.99,502 1.161,503 0.737,504 1.121,505 1.202,506 0.87,507 1.075,508 0.919,509 1.274,510 0.979,511 0.773,512 0.877,513 0.892,514 0.911,515 0.762,516 0.92,517 0.903,518 0.917,519 0.953,520 0.938,521 0.896,522 0.951,523 1.033,524 0.923,525 0.985,526 0.925,527 1.034,528 0.943,529 1.192,530 1.047,531 1.016,532 0.965,533 1.217,534 0.962,535 2.5,536 0.066,537 1.333,538 0.472,539 0.285,540 0.191,541 0.137,542 0.072,543 0.081,544 0.095,545 2225,546 6223,547 1.895,548 55.6,549 11,550 2,551 1,552 2,553 1,554 1,555 2,558 1.536,559 1.778,560 3.181,561 -0.229,563 1,564 1,565 1,567 52.659,568 1.463,569 2.938,570 3.927,571 4.44,572 4.705,573 4.705,574 2.5,575 3.125,576 3.976,577 3.356,578 402.691,579 6.623,580 3874.3,582 1,584 1,585 186.117,586 1.329,587 3.929,588 0.156,589 0.008,590 0.07,591 0.031,592 0.024,593 0.017,594 0.014,595 0.008,596 0.01,597 0.012,598 0.351,599 0.67,600 1,601 2.703,602 68.41,603 -0.045,604 -0.292,605 0.011,606 -0.11,607 -0.019,608 -0.055,609 0.181,610 -0.003,611 -0.057,612 -0.098,613 0.232,614 -0.111,615 -0.021,616 -0.114,617 -0.064,618 -0.136,619 0.005,620 -0.109,621 -0.154,622 0.008,623 -0.112,624 0.014,625 -0.153,626 -0.039,627 -0.029,628 0.009,629 0.026,630 0.029,631 -0.036,632 0.036,633 -0.065,634 -0.007,635 -0.014,636 0.006,637 -0.069,638 0.005,639 -0.094,640 -0.008,641 -0.028,642 0.006,643 -0.1,644 0.002,645 -0.114,646 -0.129,647 -0.033,648 -0.053,649 -0.137,650 -0.034,651 2.349,652 3.564,653 0.313,654 12.125,655 0.995,656 1.143,657 1.825,658 3.332,659 0.605,660 2.833,661 2.996,662 3.045,663 2.996,664 2.773,665 2.708,666 2.639,667 2.565,668 2.565,669 2.565,670 5.729,671 0.561,672 224.34,673 2.833,674 4.263,675 5.004,676 5.771,677 6.529,678 7.298,679 8.061,680 8.829,681 9.594,682 10.363,683 5.6,691 1,693 1,699 3,700 1,705 1,706 5,724 36,726 6,728 16,730 36,731 12,733 3,739 1,740 1,745 1,751 5,753 4,754 8,755 1,756 1,761 1,765 1,769 1,772 20,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,836 1,840 16,845 1,846 6,850 1,862 5.6,864 1,865 1,869 9,870 6.35,871 3.778,872 2.403,874 0.851,875 1.162,876 0.864,877 5.978,878 6.104,879 3.02,880 3.376,881 3.647,882 3.903,883 3.508,884 3.477,885 3.446,886 3.414,887 3.446,888 3.58,889 0.833,890 15,891 5.917,893 2.314,894 7.875,895 11.439,897 8.826,899 2.375,900 38,901 0.003,904 223.651,905 51.227,906 18.685,908 67.828,911 51.227,912 291.479,913 18.685,914 8.825,915 14.778,916 9.047,917 117.684,918 10.947,919 11.771,920 188.338,922 223.651,923 69.911,924 67.828,927 200.109,928 91.37,931 43.169,932 9.957,933 16.786,935 223.651,936 86.513,937 51.227,940 223.651,941 15.688,942 37.438,944 84.614,945 223.651,946 86.513,947 51.227,949 0.55,950 0.293,951 0.122,952 0.047,953 6,954 3,955 0.222,956 8,958 1,959 3,960 85.831,962 5,963 64,968 13.08,969 7.313,970 5.627,972 84.614,973 5.577,974 3.978,979 2.069,980 42.683,981 361.391,982 19.5,987 10.564,991 -0.682,994 35.811,995 41.152,996 0.283,997 0.568,998 0.76,999 0.859,1000 0.91,1001 0.91,1002 4.163,1003 0.159,1004 4.905,1005 1.372,1006 3.664,1007 4.052,1008 2.258,1009 5.493,1010 3.595,1011 5.257,1012 -0.538,1013 6.34,1014 0.334,1015 2.944,1016 3.481,1017 2.243,1018 5.999,1019 2.841,1020 6.467,1021 -1,1022 7.88,1023 -1.185,1024 5.043,1025 5.91,1026 3.628,1027 8.954,1028 4.906,1029 7.713,1030 -1.11,1031 9.483,1032 -2,1033 5.198,1034 6.271,1035 4.112,1036 10.335,1037 5.023,1038 8.995,1039 -1.414,1040 11.127,1041 -2.494,1042 6.686,1043 8.065,1044 5.201,1045 12.712,1046 6.486,1047 10.299,1048 -1.594,1049 12.798,1050 -3.122,1051 7.245,1052 8.847,1053 5.889,1054 14.428,1055 7.015,1056 11.619,1057 -1.618,1058 14.488,1059 -3.658,1060 8.464,1061 10.362,1062 6.849,1063 16.588,1064 8.214,1065 2.644,1066 -1.841,1067 16.189,1068 -4.372,1069 9.218,1070 11.353,1071 7.625,1072 18.446,1073 8.947,1074 2.542,1075 7.414,1076 17.899,1077 -4.747,1078 10.31,1079 12.733,1080 8.526,1081 20.514,1082 10.022,1083 1.784,1084 6.997,1085 19.615,1086 3.479,1087 11.162,1088 13.835,1089 9.342,1090 22.437,1091 10.86,1092 1.414,1093 3.651,1094 21.334,1095 2.989,1096 12.19,1097 15.147,1098 10.216,1099 24.463,1100 11.875,1101 1.155,1102 3.01,1103 23.057,1104 1.888,1105 13.092,1106 16.309,1107 11.051,1108 26.418,1109 12.769,1110 0.783,1111 2.488,1112 24.782,1113 1.694,1114 14.088,1115 17.586,1116 11.912,1117 28.424,1118 13.755,1119 0.618,1120 1.641,1121 26.508,1122 1.368,1123 15.017,1124 18.782,1125 12.755,1126 30.395,1127 14.679,1128 2362,1129 4012,1130 10.227,1131 21.773,1132 22.513,1133 22.545,1134 22.544,1135 22.22,1136 22.2,1137 26.755,1138 4.682,1139 53.815,1140 21.426,1141 4.862,1142 5.639,1143 5.567,1144 4.672,1145 4.629,1146 6.064,1147 3.925,1148 12.743,1149 4.581,1150 8.395,1151 1.407,1152 1.409,1153 1.409,1154 1.389,1155 1.387,1156 1.672,1157 0.293,1158 3.363,1159 1.339,1160 3.941,1161 4.01,1162 3.868,1163 3.752,1164 7.474,1165 3.766,1166 3.791,1167 3.842,1168 3.67,1169 3.64,1170 6.351,1171 3.643,1172 3.576,1173 3.632,1174 3.431,1175 3.418,1176 4.953,1177 3.411,1178 3.255,1179 3.326,1180 3.082,1181 3.065,1182 4.184,1183 3.054,1184 3.002,1185 3.039,1186 2.806,1187 2.637,1188 3.989,1189 2.683,1190 2.851,1191 2.963,1192 2.573,1193 2.627,1194 3.727,1195 2.597,1196 2.512,1197 2.628,1198 2.271,1199 2.307,1200 3.416,1201 2.286,1202 2.436,1203 2.553,1204 2.165,1205 2.157,1206 3.312,1207 2.136,1208 0.245,1209 0.232,1210 0.359,1211 0.228,1212 0.165,1213 3.92,1214 0.217,1215 3.711,1216 0.146,1217 5.736,1218 0.463,1219 3.647,1220 0.165,1221 2.644,1222 3.479,1223 2.341,1224 7.414,1225 2.637,1226 1.816,1227 1.76,1228 2.049,1229 1.983,1230 1.404,1231 2.006,1232 1.677,1233 1.618,1234 1.903,1235 1.88,1236 1.205,1237 1.886,1238 1.457,1239 1.392,1240 1.701,1241 1.679,1242 0.927,1243 1.689,1244 1.301,1245 1.233,1246 1.515,1247 1.526,1248 0.651,1249 1.518,1250 1.14,1251 1.058,1252 1.425,1253 1.393,1254 0.46,1255 1.418,1256 0.862,1257 0.814,1258 1.232,1259 1.267,1260 0.322,1261 1.231,1262 0.78,1263 0.685,1264 1.084,1265 1.073,1266 0.161,1267 1.119,1268 0.43,1269 0.296,1270 0.928,1271 0.777,1273 0.844,1274 3.497,1276 4.691,1277 2.398,1278 6.033,1279 4.443,1280 7.439,1281 6.26,1282 8.879,1284 1.772,1289 8.699,1290 6.223,1294 -0.2,1300 20.214,1301 52.659,1302 105.753,1303 141.388,1304 159.853,1305 169.362,1306 169.362,1307 34.058,1308 5.252,1309 55.12,1310 55.12,1311 5,1312 10.986,1313 2.807,1314 2.17,1315 35.137,1316 56,1317 36,1318 0.305,1319 131.284,1320 224.56,1321 312.093,1322 1022,1324 11.803,1325 0.738,1326 0.613,1327 11.803,1328 9.802,1329 7.698,1330 0.481,1331 0.368,1332 5.81,1333 7.38,1334 5.663,1335 4.779,1336 7.698,1337 5.884,1338 6.363,1339 0.335,1340 0.223,1341 6.363,1342 4.243,1343 4.635,1344 0.232,1345 0.139,1346 4.635,1347 2.784,1348 2.885,1349 0.152,1350 0.086,1351 2.885,1352 1.641,1353 1.609,1354 0.107,1355 0.064,1356 1.609,1357 0.954,1358 0.504,1359 48.457,1360 0.313,1361 17.194,1362 0.761,1363 70,1364 215.175,1365 77.953,1366 204.382,1367 261.12,1368 188,1369 74,1370 175.596,1371 81.347,1372 176.794,1373 246.54,1374 164,1375 7.523} {0 CHEMBL555463,1 1.54,2 8.92,3 3.494,4 12.207,5 97.959,6 7.891,7 0.786,8 3.862,9 3.98,10 3.495,11 3.405,12 5.015,13 3.407,14 4.345,15 4.51,16 3.816,17 3.764,18 5.459,19 3.748,20 4.493,21 4.682,22 3.815,23 3.836,24 5.534,25 3.791,26 4.535,27 4.757,28 3.765,29 3.779,30 5.571,31 3.728,32 4.511,33 4.737,34 3.746,35 3.781,36 5.504,37 3.721,38 4.482,39 4.695,40 3.73,41 3.797,42 5.49,43 3.742,44 4.512,45 4.724,46 3.657,47 3.818,48 5.514,49 3.738,50 4.481,51 4.718,52 3.539,53 3.717,54 5.426,55 3.621,56 0.021,57 0.658,58 7.586,59 3.353,60 6.698,61 4.228,62 0.266,63 1.035,64 14.356,65 5.436,66 19.243,67 6.85,68 0.127,69 1.153,70 17.25,71 6.588,72 18.907,73 8.803,74 0.29,75 1.211,76 19.269,77 6.386,78 28.345,79 8.766,80 0.312,81 1.137,82 19.195,83 6.636,84 25.273,85 9.379,86 0.221,87 1.133,88 17.964,89 6.273,90 20.935,91 8.493,92 0.268,93 1.131,94 18.611,95 6.721,96 26.519,97 9.031,98 0.166,99 1.041,100 19.116,101 7.144,102 23.013,103 9.859,104 3,105 38,106 0.265,107 0.607,108 0.775,109 0.857,110 0.868,111 0.868,112 3.268,113 0.852,114 -4.71,115 -4.62,116 -4.34,118 45.2,123 1,124 1,140 8,141 2,142 1,143 1,144 1,145 1,148 1,149 1,156 1,168 8,171 4,172 5,175 1,177 2,180 8,186 5,191 3,194 5,197 2,198 4,201 2,203 3,206 1,209 2,210 5,213 1,215 2,218 3,222 6,225 1,229 5,233 1,234 8,242 6,247 7,255 5,258 1,259 6,267 3,270 993,271 17.524,272 17.524,273 17.524,274 17.524,275 17.524,276 14.983,277 20.35,278 10.551,279 18.047,280 13.813,281 13.813,282 13.813,283 13.813,284 13.813,285 9.978,286 27.999,287 4.992,288 14.581,289 3.853,290 1.867,291 0.893,292 0.417,293 0.351,294 0.351,295 3.97,298 1,299 1,300 1,301 490,302 2.55,305 58.383,306 195.923,310 103.764,313 1.222,314 14.685,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 53.5,326 223,327 4.58,328 3.22,329 6.583,330 4.093,331 3.139,332 4.519,333 0.86,334 10.531,335 3.006,336 4.116,337 2.886,338 6.083,339 3.655,340 2.732,341 3.723,342 0.657,343 8.843,344 2.511,345 3.9,346 2.778,347 5.38,348 3.518,349 2.528,350 3.446,352 7.037,353 2.503,354 3.679,355 2.602,356 5.274,357 3.251,358 2.317,359 3.11,361 6.681,362 2.156,363 3.442,364 2.145,365 5.154,366 2.972,367 2.031,368 2.829,370 6.166,371 1.905,372 3.213,373 1.78,374 4.537,375 2.669,376 1.747,377 2.531,379 4.622,380 1.608,381 2.924,382 1.606,383 3.908,384 2.498,385 1.505,386 2.095,388 3.239,389 1.493,390 2.548,391 1.195,392 3.615,393 2.093,394 1.122,395 1.568,397 2.853,398 1.087,399 2.5,400 1.112,401 3.283,402 2,403 1,404 1.5,406 2.136,407 1,408 2.304,409 1,410 3.247,411 1.762,412 0.849,413 1.217,415 2.005,416 0.773,417 2.118,418 0.869,419 3.137,420 1.554,421 0.637,422 0.927,424 1.406,425 0.578,426 1.881,427 0.661,428 3,429 1.551,430 0.618,431 0.765,433 1.372,434 0.577,435 1.633,436 0.618,437 2.859,438 1.323,439 0.432,440 0.506,442 0.759,443 0.383,444 1.122,445 0.022,446 2.636,447 0.717,448 -0.212,449 -0.272,451 -0.477,452 -0.195,453 0.929,454 -0.312,455 2.517,456 0.437,457 -0.505,458 -0.677,460 -1.264,461 -0.473,462 11.833,463 0.473,464 0.427,465 0.017,466 38.25,467 1.53,468 21,469 0.84,470 17.25,471 0.69,472 15.286,473 0.611,474 25.367,475 0.604,476 26.325,477 1.053,478 7.795,479 0.312,480 4.536,481 0.181,482 0.042,484 0.287,487 0.932,488 1.401,489 0.72,490 1.076,491 0.841,492 0.901,493 1.153,494 0.841,495 0.897,496 0.827,497 1.004,498 0.833,499 1.036,500 1.348,501 0.954,502 1.147,503 0.957,504 1.06,505 1.052,506 1.048,507 1.024,508 0.986,509 1.154,510 0.989,511 0.746,512 1.023,513 0.87,514 0.911,515 0.711,516 0.901,517 1.108,518 0.99,519 1.016,520 0.923,521 0.98,522 0.939,523 1.118,524 0.946,525 1.165,526 1.001,527 1.289,528 1.069,529 0.92,530 0.977,531 0.987,532 1.065,533 0.873,534 1.038,535 4,536 0.056,537 2.222,538 0.778,539 1.459,540 0.687,541 0.38,542 0.374,543 0.2,544 0.08,545 7141,546 18626,547 2.179,548 40.5,550 13,551 1,552 2,553 1,558 1.686,559 2.113,560 3.152,561 -0.317,563 1,567 64.67,568 1.54,569 3.525,570 4.499,571 4.975,572 5.041,573 5.041,574 2.493,575 4.244,576 4.612,577 3.317,578 995.103,579 8.012,580 12090.5,581 1,582 1,584 1,585 226.477,586 1.078,587 4.606,588 0.143,589 0.005,590 0.058,591 0.021,592 0.043,593 0.02,594 0.011,595 0.012,596 0.007,597 0.004,598 0.324,599 0.17,600 1,601 0.557,602 119.283,603 -0.045,604 -0.287,605 0.07,606 -0.122,607 -0.051,608 -0.028,609 0.038,610 0.254,611 -0.007,612 0.104,613 -0.013,614 0.044,615 -0.086,616 -0.329,617 -0.039,618 -0.184,619 -0.018,620 -0.123,621 0.004,622 0.007,623 -0.053,624 -0.071,625 -0.079,626 -0.073,627 0.203,628 -0.019,629 0.106,630 0.047,631 0.208,632 0.062,633 -0.142,634 0.048,635 -0.072,636 0.022,637 -0.058,638 -0.004,639 -0.148,640 0.062,641 -0.221,642 -0.037,643 -0.284,644 -0.117,645 -0.038,646 -0.051,647 0.005,648 -0.06,649 0.06,650 -0.021,651 1.092,652 1.844,653 0.84,654 22.109,655 1.003,656 1.124,657 3.476,658 12.083,659 0.692,660 3.367,661 3.664,662 3.951,663 4.22,664 4.466,665 4.575,666 4.745,667 4.898,668 5.011,669 4.984,670 5.693,671 0.666,672 331.41,673 3.367,674 4.89,675 5.74,676 6.608,677 7.477,678 8.355,679 9.233,680 10.117,681 11.001,682 11.889,683 11.9,688 1,691 1,693 3,698 2,699 11,700 3,704 4,705 1,706 22,717 1,722 1,724 42,726 22,727 2,728 28,730 45,731 19,733 17,734 4,735 8,739 4,740 5,753 17,754 2,768 1,769 1,772 17,773 5,774 1,775 6,778 1,779 5,784 0.75,785 1,796 1,801 1,802 3,806 1,832 3,836 1,840 25,846 1,847 1,848 1,862 2.4,867 1,869 11.833,870 7.883,871 5.583,872 2.329,874 3.799,875 1.517,876 1.023,877 4.317,878 11.142,879 3.689,880 4.321,881 4.96,882 5.585,883 6.151,884 6.512,885 6.996,886 7.465,887 7.903,888 8.105,889 0.833,890 37,891 9.156,893 3.813,894 7.6,895 17.555,897 14.07,899 2.1,900 52.5,903 1,904 188.338,905 132.885,906 70.266,908 11,911 132.885,912 199.338,913 70.266,914 10.883,915 2.106,916 84.857,917 100.528,918 35.093,919 15.998,920 153.024,922 188.338,923 203.152,924 11,927 188.338,928 11,931 25.714,932 109.07,933 68.367,935 188.338,936 81.266,937 132.885,940 188.338,941 19.479,942 115.306,943 18.011,944 61.356,945 188.338,946 81.266,947 132.885,949 0.568,950 0.336,951 0.184,952 0.101,953 19,954 7,955 0.111,956 5,957 1,958 1.095,959 3.784,960 211.29,961 0.095,962 21,963 112.096,968 15.609,969 6.914,970 3.324,971 1.759,972 79.367,973 21.2,974 13.376,978 3.29,979 1.789,980 18.011,981 402.489,982 39,994 42.138,995 47.192,996 0.286,997 0.654,998 0.834,999 0.923,1000 0.935,1001 0.935,1002 4.887,1003 1.122,1004 5.694,1005 3.239,1006 4.344,1007 5.007,1008 1.207,1009 6.475,1010 4.242,1011 6.09,1012 1,1013 7.225,1014 2.853,1015 3.761,1016 4.691,1018 7.298,1019 3.606,1020 7.387,1021 0.849,1022 8.857,1023 2.136,1024 5.9,1025 7.257,1026 0.903,1027 10.408,1028 5.701,1029 8.726,1030 0.637,1031 10.551,1032 2.005,1033 6.196,1034 7.84,1036 12.09,1037 5.937,1038 10.098,1039 0.618,1040 12.286,1041 1.406,1042 7.731,1043 9.794,1044 0.678,1045 14.695,1046 7.441,1047 11.495,1048 0.432,1049 14.049,1050 1.372,1051 8.444,1052 10.821,1054 16.741,1055 8.095,1056 12.91,1057 -0.212,1058 15.832,1059 0.759,1060 9.73,1061 12.513,1062 0.512,1063 19.174,1064 9.351,1065 3.139,1066 -0.505,1067 17.631,1068 -0.477,1069 10.652,1070 13.774,1072 21.383,1073 10.218,1074 2.732,1075 10.531,1076 19.442,1077 -1.264,1078 11.834,1079 15.351,1080 0.387,1081 23.755,1082 11.367,1083 2.528,1084 8.843,1085 21.263,1086 4.519,1087 12.86,1088 16.733,1090 26.038,1091 12.342,1092 2.317,1093 7.037,1094 23.093,1095 3.723,1096 14.002,1097 18.263,1098 0.293,1099 28.39,1100 13.449,1101 2.031,1102 6.681,1103 24.929,1104 3.446,1105 15.08,1106 19.705,1108 30.707,1109 14.48,1110 1.747,1111 6.166,1112 26.771,1113 3.11,1114 16.21,1115 21.216,1116 0.221,1117 33.054,1118 15.572,1119 1.505,1120 4.622,1121 28.618,1122 2.829,1123 17.315,1124 22.69,1126 35.387,1127 16.632,1128 6728,1129 11009,1130 19.474,1131 29.051,1132 41.462,1133 41.6,1134 41.549,1135 41.268,1136 41.313,1137 57.467,1138 3.035,1139 115.3,1140 39.162,1141 5.411,1142 5.22,1143 6.385,1144 5.171,1145 5.139,1146 7.519,1147 1.72,1148 17.485,1149 5.006,1150 6.535,1151 1.481,1152 1.486,1153 1.484,1154 1.474,1155 1.475,1156 2.052,1157 0.108,1158 4.118,1159 1.399,1160 4.098,1161 4.139,1162 4.072,1163 3.983,1164 5.122,1165 3.998,1166 3.9,1167 3.936,1168 3.827,1169 3.839,1170 4.894,1171 3.831,1172 3.845,1173 3.896,1174 3.795,1175 3.653,1176 4.754,1177 3.685,1178 3.457,1179 3.512,1180 3.384,1181 3.251,1182 4.661,1183 3.276,1184 3.267,1185 3.339,1186 3.138,1187 3.047,1188 4.247,1189 3.058,1190 3.099,1191 3.179,1192 2.933,1193 2.896,1194 4.085,1195 2.891,1196 2.924,1197 2.985,1198 2.809,1199 2.775,1200 3.766,1201 2.774,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.674,1207 2.715,1208 0.164,1209 0.115,1210 0.235,1211 0.146,1212 0.112,1213 4.58,1214 0.161,1215 3.22,1216 0.031,1217 6.583,1218 0.376,1219 4.093,1220 0.107,1221 3.139,1222 4.519,1223 0.86,1224 10.531,1225 3.006,1226 2.011,1227 1.985,1228 2.076,1229 2.136,1230 1.199,1231 2.116,1232 1.902,1233 1.872,1234 2.023,1235 1.986,1236 1.129,1237 2.002,1238 1.529,1239 1.474,1240 1.651,1241 1.758,1242 0.705,1243 1.729,1244 1.345,1245 1.283,1246 1.569,1247 1.582,1248 0.672,1249 1.579,1250 1.281,1251 1.208,1252 1.537,1253 1.524,1254 0.575,1255 1.514,1256 1.195,1257 1.123,1258 1.447,1259 1.489,1260 0.383,1261 1.503,1262 1.035,1263 0.973,1264 1.241,1265 1.226,1266 0.311,1267 1.237,1268 0.886,1269 0.821,1270 1.181,1271 1.066,1272 0.218,1273 1.107,1274 4.043,1276 5.342,1277 2.398,1278 6.845,1279 4.443,1280 8.443,1281 6.293,1282 10.095,1284 1.652,1290 0.674,1291 3.417,1292 5.344,1300 27.983,1301 64.67,1302 148.059,1303 188.968,1304 208.968,1305 211.722,1306 211.722,1307 26.264,1308 7.343,1309 64.86,1310 64.86,1311 23,1312 12.421,1313 4.524,1314 3.585,1315 35.647,1316 81,1317 90,1318 0.207,1319 172.145,1320 281.61,1321 411.794,1322 14455,1324 17.062,1325 0.682,1326 0.55,1327 17.062,1328 13.755,1329 12.331,1330 0.44,1331 0.284,1332 7.819,1333 11.822,1334 7.636,1335 6.374,1336 12.331,1337 7.952,1338 10.629,1339 0.28,1340 0.146,1341 10.629,1342 5.564,1343 9.287,1344 0.182,1345 0.077,1346 9.287,1347 3.929,1348 7.72,1349 0.115,1350 0.039,1351 7.72,1352 2.632,1353 6.242,1354 0.073,1355 0.02,1356 6.242,1357 1.736,1358 0.316,1359 77.446,1360 0.227,1361 24.043,1362 0.592,1363 132,1364 380.649,1365 144.786,1366 371.96,1367 522.88,1368 352,1369 155,1370 397.503,1371 168.676,1372 405.416,1373 590.46,1374 380,1375 5.602} {0 CHEMBL55558,1 1.46,2 6.688,3 2.524,4 6.369,5 69.745,6 7.679,7 0.556,8 3.501,9 3.616,10 3.193,11 3.168,12 4.471,13 3.084,14 4.042,15 4.219,16 3.511,17 3.579,18 4.92,19 3.457,20 4.213,21 4.438,22 3.311,23 3.613,24 4.946,25 3.424,26 4.181,27 4.417,28 3.199,29 3.525,30 4.927,31 3.322,32 4.103,33 4.376,34 2.928,35 3.314,36 4.771,37 3.093,38 3.901,39 4.173,40 2.944,41 3.131,42 4.618,43 2.969,44 3.762,45 4.015,46 2.931,47 3.087,48 4.602,49 2.921,50 3.559,51 3.819,52 2.585,53 2.782,54 4.363,55 2.533,56 0.025,57 0.436,58 6.65,59 2.949,60 5.099,61 3.852,62 0.116,63 0.755,64 13.579,65 5.262,66 9.469,67 6.725,68 0.089,69 0.83,70 18.165,71 7.225,72 9.798,73 9.181,74 0.08,75 0.796,76 17.015,77 6.859,78 11.492,79 8.876,80 0.097,81 0.736,82 17.313,83 6.37,84 10.505,85 8.124,86 0.099,87 0.617,88 14.142,89 4.793,90 8.256,91 6.275,92 0.079,93 0.537,94 10.696,95 3.954,96 9.765,97 5.224,98 0.079,99 0.45,100 11.247,101 3.652,102 9.277,103 4.463,105 24,106 0.278,107 0.671,108 0.859,109 0.884,110 0.884,111 0.884,112 2.853,113 1.088,114 -3.98,115 -3.93,116 -3.73,118 43.3,120 3,124 1,133 1,134 1,140 1,141 1,143 1,149 2,150 1,156 1,168 6,171 1,172 1,180 10,186 1,194 8,198 3,206 4,210 3,222 4,234 2,247 2,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.811,277 12.877,278 6.856,279 11.663,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.77,286 15.06,287 3.252,288 9.516,289 3.447,290 1.384,291 0.4,292 0.267,293 0.267,294 0.267,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 4.08,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 107,327 4.397,328 3.2,329 6.512,330 4.017,331 3.047,332 4.01,333 0.522,334 10.216,335 2.957,336 3.926,337 2.706,338 5.374,339 3.455,340 2.541,341 3.485,343 7.037,344 2.323,345 3.515,346 2.342,347 5.172,348 3.022,349 2.087,350 2.795,352 6.181,353 1.934,354 2.756,355 1.67,356 4.128,357 2.539,358 1.548,359 1.817,361 3.687,362 1.531,363 2.665,364 1.522,365 3.557,366 2.241,367 1.311,368 1.721,370 2.841,371 1.215,372 2.387,373 1.046,374 3.405,375 1.924,376 1,377 1.33,379 2.235,380 0.906,381 2.171,382 0.914,383 3.237,384 1.697,385 0.79,386 1.055,388 1.907,389 0.702,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.509,400 0.531,401 2.829,402 1.249,403 0.316,404 0.369,406 0.749,407 0.291,408 0.831,409 -0.321,410 2.352,411 0.503,412 -0.466,413 -0.56,415 -1.154,416 -0.448,417 0.21,418 -0.702,419 2.07,420 -0.049,421 -1,422 -1.113,424 -2.424,425 -0.923,426 0.148,427 -0.926,428 1.674,429 -0.146,430 -1.086,431 -1.268,433 -2.63,434 -1.016,435 -0.087,436 -1.469,437 1.497,438 -0.649,439 -1.567,440 -2.026,442 -3.963,443 -1.345,444 -0.118,445 -1.589,446 1,447 -0.68,448 -1.618,449 -2.301,451 -4.372,452 -1.473,453 -0.213,454 -1.618,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.578,462 8.133,463 0.508,464 0.239,465 0.015,466 19.75,467 1.234,468 9.5,469 0.594,470 10.25,471 0.641,472 11.8,473 0.738,474 16.467,475 0.549,476 9.409,477 0.588,478 3.57,479 0.223,480 4.363,481 0.273,484 0.234,487 0.86,488 1.202,489 0.74,490 0.894,491 0.642,492 0.902,493 1.232,494 0.861,495 0.964,496 0.864,497 0.922,498 0.907,499 0.785,500 0.982,501 1.102,502 1.102,503 0.84,504 1.096,505 0.743,506 1.08,507 1.028,508 1.112,509 0.993,510 1.161,511 0.941,512 1.061,513 1.075,514 1.09,515 0.9,516 1.066,517 1.008,518 1,519 0.887,520 0.921,521 0.715,522 0.837,523 1.302,524 0.853,525 0.787,526 0.74,527 1.28,528 0.856,529 1.249,530 1.257,531 1.373,532 1.332,533 1.705,534 1.188,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 5248,547 2.213,548 46.7,549 4,550 4,551 2,552 2,554 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,564 1,565 1,567 43.798,568 1.46,569 3.523,570 4.507,571 4.64,572 4.64,573 4.64,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,581 1,582 1,584 1,585 147.207,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.077,604 -0.154,605 0.091,606 0.008,607 0.224,608 0.014,609 -0.058,610 0.204,611 -0.03,612 0.075,613 -0.01,614 0.015,615 -0.093,616 -0.048,617 -0.129,618 -0.103,619 -0.097,620 -0.107,621 -0.043,622 -0.166,623 -0.112,624 -0.154,625 -0.129,626 -0.18,627 -0.03,628 -0.137,629 -0.092,630 -0.114,631 -0.062,632 -0.083,633 0.106,634 -0.042,635 0.082,636 0.027,637 0.179,638 0.129,639 -0.125,640 0.133,641 0.089,642 0.149,643 -0.019,644 0.081,645 -0.027,646 -0.248,647 -0.114,648 -0.217,649 -0.216,650 -0.205,651 0.565,652 1.056,653 0.875,654 8.625,655 0.986,656 1.114,657 2.753,658 7.576,659 0.708,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.646,672 230.36,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 6.7,691 1,693 1,699 5,700 1,703 1,704 2,705 1,706 10,724 30,726 11,728 18,730 32,731 13,733 7,736 2,739 3,740 4,748 3,751 3,753 9,754 4,756 1,763 1,765 1,769 1,772 14,773 1,775 3,776 1,778 1,779 2,784 0.667,801 2,802 1,805 1,822 1,823 1,832 2,834 1,840 16,846 4,856 1,869 7.333,870 5.317,871 3.556,872 1.894,874 2.238,875 1.362,876 1.025,877 2.81,878 8.42,879 3.219,880 3.773,881 4.327,882 4.855,883 4.895,884 5.188,885 5.496,886 5.814,887 6.042,888 6.236,889 1,890 19,891 5.914,893 2.465,894 7.365,895 11.855,897 9.959,899 1.865,900 29.833,901 0.008,904 164.795,905 102.032,906 18.685,910 31.278,911 70.754,912 164.795,913 18.685,915 9.709,916 35.649,917 48.946,918 17.318,919 24.901,920 148.989,922 164.795,923 89.438,925 31.278,927 164.795,931 29.274,932 33.902,933 26.262,934 31.278,935 164.795,936 18.685,937 102.032,940 164.795,941 48.717,942 55.214,944 16.786,945 164.795,946 18.685,947 102.032,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.063,956 2,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,964 1,968 10.124,969 4.44,970 2.091,972 16.786,973 10.179,974 4.056,977 1.892,978 3.041,979 2.105,981 285.512,982 24,989 2.34,991 1.51,994 29.582,995 33.408,996 0.298,997 0.718,998 0.918,999 0.946,1000 0.946,1001 0.946,1002 4.413,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.454,1008 0.434,1009 5.979,1010 3.777,1011 5.583,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 3.98,1018 6.783,1019 3.071,1020 6.861,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.573,1026 0.138,1027 9.892,1028 5.214,1029 8.184,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 7.099,1036 11.626,1037 5.47,1038 9.544,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 8.972,1044 0.039,1045 14.203,1046 6.976,1047 10.93,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 9.946,1054 16.29,1055 7.674,1056 12.334,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 11.527,1062 0.011,1063 18.703,1064 8.926,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 12.712,1072 20.93,1073 9.831,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 14.171,1080 0.003,1081 23.288,1082 10.979,1083 2.087,1084 7.037,1085 20.801,1086 4.01,1087 12.373,1088 15.457,1090 25.571,1091 11.98,1092 1.548,1093 6.181,1094 22.64,1095 3.485,1096 13.501,1097 16.865,1098 0.001,1099 27.909,1100 13.087,1101 1.311,1102 3.687,1103 24.486,1104 2.795,1105 14.57,1106 18.198,1108 30.215,1109 14.132,1110 1,1111 2.841,1112 26.336,1113 1.817,1114 15.684,1115 19.587,1117 32.544,1118 15.223,1119 0.79,1120 2.235,1121 28.191,1122 1.721,1123 16.774,1124 20.944,1126 34.861,1127 16.288,1128 2117,1129 3323,1130 12.712,1131 21.228,1132 26.886,1133 26.66,1134 26.431,1135 26.495,1136 26.513,1137 35.016,1138 1.043,1139 72.45,1140 24.875,1141 5.339,1142 5.121,1143 6.145,1144 5.096,1145 5.047,1146 6.733,1147 1.043,1148 16.997,1149 4.957,1151 1.494,1152 1.481,1153 1.468,1154 1.472,1155 1.473,1156 1.945,1157 0.058,1158 4.025,1159 1.382,1160 4.021,1161 4.055,1162 4.251,1163 4.019,1164 4.959,1165 3.964,1166 3.88,1167 3.931,1168 3.862,1169 3.7,1170 4.691,1171 3.718,1172 3.451,1173 3.492,1174 3.503,1175 3.409,1176 4.157,1177 3.356,1178 3.292,1179 3.36,1180 3.128,1181 3.166,1182 3.844,1183 3.148,1184 2.843,1185 2.938,1186 2.716,1187 2.672,1188 3.482,1189 2.642,1190 2.538,1191 2.629,1192 2.439,1193 2.383,1194 3.32,1195 2.356,1196 2.455,1197 2.555,1198 2.32,1199 2.274,1200 3.141,1201 2.248,1202 2.149,1203 2.274,1204 2.245,1205 2.149,1206 2.889,1207 2.001,1208 0.244,1209 0.178,1210 0.362,1211 0.223,1212 0.169,1213 4.397,1214 0.223,1215 3.2,1216 0.029,1217 6.512,1218 0.568,1219 4.017,1220 0.164,1221 3.047,1222 4.01,1223 0.522,1224 10.216,1225 2.957,1226 1.889,1227 1.858,1228 2.036,1229 1.991,1230 1.362,1231 2.01,1232 1.58,1233 1.519,1234 1.768,1235 1.792,1236 0.996,1237 1.792,1238 1.412,1239 1.389,1240 1.545,1241 1.527,1242 0.699,1243 1.545,1244 1.302,1245 1.237,1246 1.482,1247 1.493,1248 0.614,1249 1.513,1250 1.118,1251 1.069,1252 1.351,1253 1.294,1254 0.486,1255 1.323,1256 1.071,1257 1.025,1258 1.214,1259 1.16,1260 0.368,1261 1.234,1262 0.674,1263 0.577,1264 0.977,1265 0.894,1266 0.185,1267 0.967,1268 0.176,1269 0.05,1270 0.668,1271 0.475,1273 0.563,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 4.71,1300 19.391,1301 43.798,1302 105.697,1303 135.207,1304 139.207,1305 139.207,1306 139.207,1307 13.866,1308 6.182,1309 17.82,1310 46.06,1311 16,1312 11.846,1313 3.585,1314 2.807,1315 21.891,1316 41,1317 34,1318 0.263,1319 123.373,1320 201.89,1321 292.791,1322 3422,1324 10.795,1325 0.675,1326 0.619,1327 11.148,1328 9.912,1329 7.933,1330 0.441,1331 0.363,1332 5.68,1333 7.266,1334 5.472,1335 4.519,1336 8.387,1337 6.528,1338 6.774,1339 0.282,1340 0.213,1341 7.357,1342 5.101,1343 5.894,1344 0.184,1345 0.126,1346 6.537,1347 4.03,1348 5.008,1349 0.122,1350 0.077,1351 5.722,1352 3.173,1353 3.26,1354 0.08,1355 0.05,1356 3.775,1357 2.03,1358 0.402,1359 53.25,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 194.151,1365 109.807,1366 214.686,1367 300.81,1368 204,1369 98,1370 209.33,1371 120.397,1372 229.157,1373 331.84,1374 216,1375 5.9} {0 CHEMBL555625,1 1.496,2 9.059,3 2.466,4 6.08,5 66.135,6 6.695,7 0.294,8 3.603,9 3.734,10 3.046,11 3.076,12 4.726,13 3.039,14 4.132,15 4.345,16 3.328,17 3.434,18 5.249,19 3.358,20 4.343,21 4.557,22 3.245,23 3.55,24 5.404,25 3.414,26 4.532,27 4.812,28 2.982,29 3.444,30 5.559,31 3.274,32 4.173,33 4.471,34 2.814,35 3.197,36 5.062,37 3.03,38 3.972,39 4.248,40 2.727,41 3.034,42 5.011,43 2.895,44 3.742,45 3.999,46 2.637,47 2.913,48 4.741,49 2.784,50 3.677,51 3.912,52 2.597,53 2.841,54 4.561,55 2.713,56 0.024,57 0.48,58 7.92,59 3.123,60 9.02,61 4.433,62 0.226,63 0.732,64 14.192,65 4.97,66 43.571,67 7.341,68 0.075,69 0.82,70 17.36,71 6.697,72 28.731,73 9.526,74 0.417,75 0.79,76 22.662,77 6.739,78 84.117,79 9.849,80 0.179,81 0.603,82 15.269,83 5.037,84 36.925,85 7.586,86 0.153,87 0.504,88 12.443,89 4.038,90 37.623,91 6.024,92 0.072,93 0.445,94 9.564,95 3.236,96 21.848,97 4.945,98 0.042,99 0.428,100 8.881,101 2.946,102 11.717,103 4.577,104 25,105 22,106 0.28,107 0.618,108 0.803,109 0.824,110 0.824,111 0.824,112 2.903,113 1.001,114 -3.24,115 -3.23,116 -3.1,118 37.1,119 2,120 3,122 1,124 1,139 2,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 2,175 1,177 1,180 7,181 3,186 4,191 3,194 5,195 1,198 3,203 1,206 4,207 1,210 3,215 1,218 3,219 1,222 3,227 1,229 2,230 1,234 3,239 1,247 3,248 1,258 1,259 1,262 1,270 318,271 10.905,272 10.905,273 10.905,274 10.905,275 10.905,276 9.701,277 12.536,278 6.688,279 11.095,280 8.361,281 8.361,282 8.361,283 8.361,284 8.361,285 6.677,286 14.966,287 3.154,288 8.653,289 3.633,290 1.83,291 0.843,292 0.729,293 0.729,294 0.729,295 3.527,299 1,300 1,301 303,302 3.937,305 58.054,313 1.467,314 17.528,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 37,326 154,327 4.407,328 3.979,329 7.206,330 4.332,331 3.331,332 3.523,333 2.341,334 11.924,335 3.327,336 3.988,337 2.899,338 5.352,339 3.458,340 2.542,341 3.496,342 0.769,343 6.997,344 2.328,345 3.728,346 2.591,347 4.404,348 2.78,349 1.784,350 2.623,352 3.714,353 1.773,354 2.857,355 2.417,356 3.781,357 2.455,358 1.459,359 1.815,361 3.279,362 1.432,363 2.63,364 1.859,365 3.466,366 2.237,367 1.272,368 1.643,370 2.727,371 1.218,372 2.282,373 1.087,374 3.13,375 1.885,376 0.915,377 1.144,379 1.945,380 0.883,381 2.118,382 0.835,383 3,384 1.554,385 0.618,386 0.927,388 1.372,389 0.577,390 1.333,391 0.618,392 2.714,393 1.22,394 0.237,395 0.25,397 0.519,398 0.232,399 0.925,400 0.439,401 2.162,402 0.467,403 -0.507,404 -0.624,406 -1.175,407 -0.492,408 0.449,409 -0.403,410 2,412 -1,413 -1,415 -2,416 -0.961,417 0.042,418 -0.786,419 2,421 -1,422 -1.243,424 -2.599,425 -1,427 -0.961,428 1.464,429 -0.155,430 -1.119,431 -1.291,433 -3,434 -1.077,435 -0.118,436 -1,437 1,438 -0.5,439 -1.476,440 -1.668,442 -3.294,443 -1.44,444 -0.137,445 -1.14,446 1,447 -0.63,448 -1.609,449 -1.922,451 -4.372,452 -1.484,453 -0.511,454 -1.618,455 0.748,456 -0.705,457 -1.618,458 -2.427,459 -0.757,460 -4.711,461 -1.596,462 7.967,463 0.469,464 0.478,465 0.028,466 17.75,467 1.044,468 7.5,469 0.441,470 10.25,471 0.603,472 14.276,473 0.84,474 19.633,475 0.561,476 10.537,477 0.62,478 3.363,479 0.198,480 4.659,481 0.274,482 0.209,483 0.063,484 0.113,487 0.816,488 1.543,489 0.922,490 1.284,491 0.728,492 1.145,493 0.559,494 0.978,495 0.871,496 0.96,497 0.419,498 0.95,499 0.742,500 1.394,501 1.141,502 1.508,503 0.811,504 1.411,505 1.608,506 0.738,507 1.143,508 0.786,509 1.797,510 0.895,511 0.813,512 0.802,513 0.825,514 0.823,515 0.858,516 0.831,517 0.999,518 0.858,519 0.901,520 0.858,521 0.988,522 0.868,523 0.641,524 1.096,525 0.953,526 1.097,527 0.473,528 1.064,529 0.65,530 1.546,531 1.081,532 1.431,533 0.571,534 1.333,535 4,536 0.086,537 2,538 0.597,539 0.365,540 0.247,541 0.178,542 0.103,543 0.13,544 0.135,545 2536,546 7574,547 1.856,548 51.4,549 12,550 2,551 1,552 2,553 1,558 1.556,559 1.714,560 3.153,561 -0.256,563 1,564 1,565 1,567 52.361,568 1.496,569 3.299,570 4.286,571 4.4,572 4.4,573 4.4,574 2.463,575 3.264,576 4.065,577 3.352,578 455.876,579 6.806,580 4553.42,582 1,584 1,585 179.525,586 1.545,587 3.984,588 0.235,589 0.009,590 0.091,591 0.033,592 0.028,593 0.021,594 0.016,595 0.01,596 0.014,597 0.014,598 0.471,599 0.67,600 1,601 2.655,602 73.949,603 -0.053,604 -0.263,605 0.007,606 -0.095,607 -0.05,608 -0.049,609 0.196,610 0.17,611 0.074,612 0.09,613 0.218,614 0.071,615 -0.013,616 -0.353,617 -0.225,618 -0.421,619 -0.006,620 -0.365,621 -0.254,622 0.077,623 -0.125,624 0.122,625 -0.283,626 0.027,627 -0.017,628 0.066,629 0.122,630 0.129,631 -0.033,632 0.145,633 -0.072,634 0.047,635 0.063,636 0.102,637 -0.012,638 0.104,639 -0.013,640 -0.066,641 -0.028,642 -0.097,643 0.079,644 -0.063,645 0.002,646 -0.483,647 -0.157,648 -0.417,649 -0.037,650 -0.329,651 2.413,652 3.85,653 0.294,654 12.429,655 0.998,656 1.135,657 2.007,658 4.027,659 0.629,660 2.89,661 3.135,662 3.178,663 3.045,664 2.833,665 2.773,666 2.708,667 2.639,668 2.708,669 2.708,670 5.772,671 0.591,672 234.33,673 2.89,674 4.369,675 5.13,676 5.938,677 6.72,678 7.527,679 8.316,680 9.122,681 9.913,682 10.72,683 5.7,691 1,693 1,699 3,700 1,705 1,706 5,724 35,726 7,728 17,730 35,731 13,733 3,739 1,740 1,745 2,746 1,751 3,752 2,753 4,754 7,756 1,761 1,765 1,769 1,772 18,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,809 2,818 1,830 1,832 1,836 2,840 17,845 1,846 4,852 1,853 1,860 2,862 5.7,864 1,865 1,869 9.917,870 6.767,871 3.875,872 2.069,874 1.636,875 1.305,876 0.855,877 5.087,878 6.992,879 3.157,880 3.59,881 3.879,882 4.136,883 4.014,884 4.275,885 4.555,886 4.523,887 4.616,888 4.78,889 0.833,890 18,891 6.262,893 2.475,894 7.966,895 11.806,897 8.957,899 2.466,900 41.917,901 0.001,904 200.109,905 89.044,906 18.685,908 67.828,911 89.044,912 267.937,913 18.685,914 17.65,915 9.709,916 9.047,917 117.684,918 10.947,919 45.832,920 164.795,922 200.109,923 107.729,924 67.828,927 200.109,928 67.828,931 46.925,932 9.957,933 50.847,935 200.109,936 86.513,937 89.044,940 200.109,941 10.619,942 46.263,943 34.061,944 84.614,945 200.109,946 86.513,947 89.044,949 0.572,950 0.309,951 0.116,952 0.044,953 8,954 4,955 0.143,956 5,958 1,959 3.014,960 96.619,962 5,963 67.487,968 13.636,969 6.342,970 4.949,972 84.614,973 5.307,974 3.919,979 1.897,980 42.683,981 375.666,982 22.5,987 10.85,991 -0.746,994 34.927,995 39.737,996 0.292,997 0.643,998 0.836,999 0.858,1000 0.858,1001 0.858,1002 4.373,1003 0.237,1004 5.142,1005 1.372,1006 3.807,1007 4.27,1008 2.374,1009 5.911,1010 3.748,1011 5.587,1012 -0.507,1013 6.708,1014 0.519,1015 3.611,1016 3.922,1017 2.243,1018 7.306,1019 3.559,1020 6.898,1021 -1,1022 8.42,1023 -1.175,1024 5.451,1025 6.275,1026 3.647,1027 10.183,1028 5.362,1029 8.247,1030 -1,1031 10.224,1032 -2,1033 6.133,1034 6.732,1035 4.112,1036 12.388,1037 6.067,1038 9.625,1039 -1.119,1040 12.088,1041 -2.599,1042 7.514,1043 8.534,1044 5.204,1045 14.949,1046 7.43,1047 11.023,1048 -1.476,1049 13.99,1050 -3,1051 8.525,1052 9.362,1053 5.889,1054 17.355,1055 8.464,1056 12.434,1057 -1.609,1058 15.916,1059 -3.294,1060 9.771,1061 10.91,1062 6.849,1063 19.852,1064 9.705,1065 3.331,1066 -1.618,1067 17.857,1068 -4.372,1069 10.9,1070 11.929,1071 7.625,1072 22.31,1073 10.849,1074 2.542,1075 11.924,1076 19.809,1077 -4.711,1078 12.108,1079 13.346,1080 8.526,1081 24.793,1082 12.059,1083 1.784,1084 6.997,1085 21.767,1086 3.523,1087 13.28,1088 14.469,1089 9.342,1090 27.265,1091 13.24,1092 1.459,1093 3.714,1094 23.73,1095 3.496,1096 14.48,1097 15.816,1098 10.216,1099 29.745,1100 14.443,1101 1.272,1102 3.279,1103 25.697,1104 2.623,1105 15.669,1106 16.995,1107 11.051,1108 32.222,1109 15.637,1110 0.915,1111 2.727,1112 27.666,1113 1.815,1114 16.868,1115 18.303,1116 11.912,1117 34.701,1118 16.838,1119 0.618,1120 1.945,1121 29.636,1122 1.643,1123 18.064,1124 19.515,1125 12.755,1126 37.178,1127 18.037,1128 2696,1129 4720,1130 10.515,1131 22.012,1132 25.506,1133 25.72,1134 24.693,1135 24.309,1136 24.317,1137 30.842,1138 6.221,1139 64.954,1140 23.542,1141 5.263,1142 5.748,1143 7.022,1144 5.357,1145 5.317,1146 6.277,1147 3.925,1148 18.454,1149 5.274,1150 9.827,1151 1.5,1152 1.513,1153 1.453,1154 1.43,1155 1.43,1156 1.814,1157 0.366,1158 3.821,1159 1.385,1160 3.934,1161 3.999,1162 3.872,1163 3.765,1164 7.473,1165 3.776,1166 3.826,1167 3.87,1168 3.724,1169 3.675,1170 6.351,1171 3.686,1172 3.544,1173 3.589,1174 3.448,1175 3.432,1176 4.975,1177 3.43,1178 3.186,1179 3.25,1180 3.049,1181 3.027,1182 4.67,1183 3.015,1184 3.028,1185 3.047,1186 2.854,1187 2.637,1188 4.195,1189 2.7,1190 2.874,1191 3.009,1192 2.504,1193 2.618,1194 3.744,1195 2.57,1196 2.744,1197 2.853,1198 2.499,1199 2.527,1200 3.493,1201 2.504,1202 2.477,1203 2.577,1204 2.26,1205 2.285,1206 3.467,1207 2.266,1208 0.259,1209 0.234,1210 0.424,1211 0.255,1212 0.196,1213 4.407,1214 0.207,1215 3.979,1216 0.138,1217 7.206,1218 0.701,1219 4.332,1220 0.196,1221 3.331,1222 3.523,1223 2.341,1224 11.924,1225 3.327,1226 1.826,1227 1.783,1228 2.029,1229 1.973,1230 1.34,1231 1.991,1232 1.666,1233 1.618,1234 1.835,1235 1.855,1236 0.989,1237 1.847,1238 1.446,1239 1.381,1240 1.69,1241 1.65,1242 0.888,1243 1.67,1244 1.296,1245 1.227,1246 1.482,1247 1.525,1248 0.469,1249 1.515,1250 1.054,1251 0.989,1252 1.417,1253 1.277,1254 0.466,1255 1.308,1256 0.934,1257 0.817,1258 1.31,1259 1.242,1260 0.409,1261 1.274,1262 0.832,1263 0.804,1264 1.122,1265 1.239,1266 0.181,1267 1.203,1268 0.674,1269 0.565,1270 1.009,1271 0.964,1273 1.021,1274 3.555,1276 4.812,1277 2.398,1278 6.232,1279 4.443,1280 7.726,1281 6.26,1282 9.259,1284 3.489,1289 8.923,1290 2.853,1296 -0.647,1299 6.072,1300 20.687,1301 52.361,1302 115.467,1303 150.015,1304 154.015,1305 154.015,1306 154.015,1307 39.906,1308 5.357,1309 55.12,1310 55.12,1311 5,1312 11.315,1313 3,1314 2.7,1315 38.692,1316 60,1317 40,1318 0.315,1319 135.022,1320 236.58,1321 321.213,1322 1152,1324 12.726,1325 0.749,1326 0.606,1327 12.726,1328 10.31,1329 8.022,1330 0.472,1331 0.334,1332 5.596,1333 7.707,1334 5.351,1335 4.538,1336 8.022,1337 5.671,1338 7.247,1339 0.329,1340 0.211,1341 7.247,1342 4.631,1343 5.221,1344 0.227,1345 0.114,1346 5.221,1347 2.628,1348 2.955,1349 0.148,1350 0.067,1351 2.955,1352 1.341,1353 1.658,1354 0.104,1355 0.041,1356 1.658,1357 0.656,1358 0.517,1359 50.397,1360 0.308,1361 18.023,1362 0.795,1363 78,1364 247.175,1365 85.953,1366 239.464,1367 307.22,1368 220,1369 84,1370 206.596,1371 92.011,1372 212.872,1373 296.34,1374 195,1375 8.046} {0 CHEMBL555626,1 1.389,2 9.8,3 3.65,4 13.321,5 78.928,6 6.053,7 0.238,8 3.876,9 4.017,10 3.247,11 3.358,12 4.809,13 3.296,14 4.488,15 4.702,16 3.548,17 3.796,18 5.394,19 3.679,20 4.837,21 5.109,22 3.538,23 3.96,24 5.554,25 3.783,26 4.935,27 5.219,28 3.443,29 3.907,30 5.776,31 3.722,32 4.827,33 5.128,34 3.243,35 3.751,36 5.644,37 3.552,38 4.63,39 4.937,40 3.037,41 3.587,42 5.375,43 3.378,44 4.46,45 4.768,46 2.941,47 3.456,48 5.16,49 3.251,50 4.337,51 4.635,52 2.883,53 3.326,54 5.078,55 3.135,56 0.049,57 0.639,58 11.463,59 4.552,60 6.951,61 6.581,62 0.257,63 1.04,64 20.833,65 7.829,66 36.363,67 11.519,68 0.192,69 1.25,70 28.409,71 10.589,72 17.802,73 15.639,74 0.382,75 1.22,76 31.796,77 10.398,78 47.437,79 15.514,80 0.371,81 1.057,82 28.336,83 9.005,84 47.402,85 13.602,86 0.279,87 0.895,88 23.009,89 7.543,90 34.892,91 11.469,92 0.2,93 0.78,94 19.273,95 6.486,96 23.272,97 9.91,98 0.174,99 0.696,100 17.161,101 5.54,102 21.157,103 8.595,104 6,105 27,106 0.245,107 0.453,108 0.559,109 0.692,110 0.767,111 0.793,112 3.055,113 1.132,114 -4.1,115 -4.04,116 -3.83,118 34.8,120 10,122 1,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 11,169 1,171 1,172 2,175 1,177 1,180 12,181 3,186 4,191 3,194 10,195 3,198 5,203 3,206 7,207 2,210 4,215 2,218 6,219 1,222 3,227 1,229 5,230 1,234 3,239 1,242 3,247 3,248 1,255 1,258 1,259 3,262 1,270 502,271 13.579,272 13.579,273 13.579,274 13.579,275 13.579,276 12.789,277 10.311,278 8.408,279 13.769,280 10.339,281 10.339,282 10.339,283 10.339,284 10.339,285 9.203,286 10.148,287 3.924,288 10.63,289 4.135,290 2.958,291 2.363,292 1.61,293 1.185,294 1.039,295 3.716,298 1,299 1,300 1,301 408,302 3.536,305 67.531,306 75.741,313 1.46,314 18.339,315 1,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 43,326 196,327 4.519,328 4.026,329 7.583,330 4.459,331 3.459,332 3.621,333 2.341,334 13.636,335 3.456,336 3.92,337 2.712,338 5.352,339 3.458,340 2.542,341 3.479,343 6.997,344 2.328,345 2.994,346 2.646,347 4.623,348 2.78,349 1.785,350 1.993,352 3.854,353 1.774,354 2.834,355 1.783,356 3.965,357 2.736,358 1.732,359 1.868,361 3.634,362 1.726,363 2.638,364 1.587,365 3.732,366 2.414,367 1.427,368 1.658,370 3.085,371 1.398,372 2.473,373 1.374,374 3.712,375 2.216,376 1.246,377 1.445,379 2.684,380 1.198,381 2.118,382 1,383 3.451,384 2,385 1,386 1.008,388 2.23,389 1,390 2.045,391 0.967,392 3.251,393 1.89,394 0.92,395 1,397 1.972,398 0.889,399 2,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.341,409 0.47,410 2.822,411 1.259,412 0.275,413 0.289,415 0.613,416 0.27,417 0.707,418 0.282,419 2.236,420 0.638,421 -0.348,422 -0.36,424 -0.798,425 -0.342,426 0.497,427 -0.286,428 2.082,429 0.277,430 -0.711,431 -0.739,433 -1.548,434 -0.691,435 0.303,436 -0.531,437 2,439 -1,440 -1,442 -2,443 -0.968,445 -1,446 1.485,447 -0.009,448 -1,449 -1.249,451 -2.508,452 -1,453 -0.015,454 -1.03,455 1.116,456 -0.228,457 -1.19,458 -1.357,460 -2.666,461 -1.15,462 9.467,463 0.473,464 0.357,465 0.018,466 17.75,467 0.888,468 5.5,469 0.275,470 12.25,471 0.613,472 21.044,473 1.052,474 24.133,475 0.525,476 9.112,477 0.456,478 2.629,479 0.131,480 7.1,481 0.355,482 0.07,483 0.053,484 0.095,487 0.794,488 1.559,489 1.017,490 1.355,491 0.661,492 1.236,493 0.531,494 1.204,495 1.058,496 1.224,497 0.35,498 1.203,499 0.621,500 1.127,501 0.961,502 1.19,503 0.63,504 1.13,505 1.316,506 0.969,507 1.078,508 1.02,509 1.455,510 1.028,511 1.331,512 0.856,513 1.028,514 0.894,515 1.459,516 0.927,517 1.097,518 0.864,519 0.998,520 0.897,521 1.144,522 0.935,523 0.849,524 0.907,525 0.932,526 0.931,527 0.834,528 0.941,529 0.926,530 1.076,531 0.958,532 1.017,533 0.945,534 0.998,535 3.5,536 0.057,537 2,538 0.972,539 0.547,540 0.351,541 0.157,542 0.084,543 0.113,544 0.121,545 4222,546 9376,547 2.012,548 56.5,549 18,550 2,551 1,552 2,553 1,555 2,558 1.609,559 1.92,560 3.217,561 -0.32,563 1,567 63.872,568 1.389,569 2.565,570 3.16,571 3.914,572 4.338,573 4.485,574 2.609,575 3.346,576 4.297,577 3.439,578 653.473,579 7.294,580 7228.58,582 1,584 1,585 254.084,586 1.192,587 4.261,588 0.167,589 0.004,590 0.074,591 0.039,592 0.026,593 0.021,594 0.011,595 0.006,596 0.009,597 0.009,598 0.367,599 0.67,600 1,601 0.764,602 91.571,603 -0.027,604 -0.176,605 0.032,606 -0.041,607 0.013,608 -0.007,609 0.167,610 0.018,611 -0.06,612 -0.068,613 0.214,614 -0.088,615 0.029,616 -0.111,617 -0.025,618 -0.132,619 0.021,620 -0.088,621 -0.116,622 -0.058,623 -0.089,624 -0.062,625 -0.12,626 -0.071,627 -0.126,628 0.013,629 -0.047,630 0.025,631 -0.13,632 0.001,633 -0.1,634 0.025,635 -0.042,636 0.034,637 -0.097,638 0.006,639 -0.04,640 0.009,641 0.005,642 0.018,643 -0.042,644 0.018,645 -0.032,646 -0.147,647 -0.003,648 -0.067,649 -0.061,650 -0.039,651 2.226,652 4.541,653 0.55,654 16.1,655 0.988,656 1.139,657 2.866,658 8.216,659 0.61,660 3.091,661 3.332,662 3.526,663 3.611,664 3.555,665 3.401,666 3.296,667 3.091,668 3.135,669 3.219,670 6.102,671 0.561,672 278.44,673 3.091,674 4.575,675 5.38,676 6.213,677 7.04,678 7.879,679 8.714,680 9.557,681 10.396,682 11.242,683 4.3,691 1,693 1,699 3,700 1,705 1,706 5,724 46,726 6,728 21,730 47,731 16,733 3,739 2,740 2,746 1,747 1,748 5,751 10,753 4,754 12,756 1,761 1,765 1,768 1,769 1,772 26,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,840 20,845 1,846 11,852 1,862 4.3,864 1,865 1,869 10.417,870 7.767,871 4.625,872 3.257,874 0.727,875 1.122,876 0.889,877 5.934,878 6.683,879 3.239,880 3.618,881 3.958,882 4.228,883 3.996,884 3.899,885 3.837,886 3.673,887 3.747,888 3.958,889 1,890 25,891 7.482,893 3.101,894 7.671,895 14.842,897 12.387,899 2.171,900 43.417,901 0.002,904 294.278,905 55.074,906 18.685,908 67.828,911 55.074,912 362.106,913 18.685,915 27.451,916 9.047,917 117.684,918 10.947,919 11.771,920 258.964,922 294.278,923 73.759,924 67.828,927 270.735,928 91.37,931 47.016,932 9.957,933 16.786,935 294.278,936 86.513,937 55.074,940 294.278,941 28.361,942 28.613,944 84.614,945 294.278,946 86.513,947 55.074,949 0.559,950 0.326,951 0.164,952 0.07,953 11,954 4,955 0.17,956 8,958 1,959 3.384,960 132.08,962 11,963 82.439,968 15.403,969 7.705,970 4.523,972 84.614,973 5.641,974 4.025,979 2.097,980 42.683,981 435.865,982 24.5,987 11.541,991 -0.56,994 45.461,995 52.398,996 0.251,997 0.464,998 0.572,999 0.709,1000 0.785,1001 0.812,1002 4.446,1003 0.92,1004 5.352,1005 2.23,1006 4.007,1007 4.297,1008 2.258,1009 6.163,1010 3.959,1011 5.572,1012 0.618,1013 6.923,1014 1.972,1015 3.611,1016 3.922,1017 2.243,1018 7.653,1019 3.559,1020 6.85,1021 0.275,1022 8.645,1023 1.372,1024 5.645,1025 6.216,1026 3.628,1027 10.665,1028 5.573,1029 8.18,1030 -0.348,1031 10.475,1032 0.613,1033 6.256,1034 6.801,1035 4.112,1036 13.038,1037 6.197,1038 9.56,1039 -0.711,1040 12.376,1041 -0.798,1042 7.735,1043 8.491,1044 5.201,1045 15.723,1046 7.668,1047 10.973,1048 -1,1049 14.324,1050 -1.548,1051 8.748,1052 9.466,1053 5.889,1054 18.286,1055 8.699,1056 12.409,1057 -1,1058 16.3,1059 -2,1060 10.054,1061 10.922,1062 6.849,1063 20.912,1064 10.004,1065 3.459,1066 -1.19,1067 18.295,1068 -2.508,1069 11.213,1070 12.06,1071 7.625,1072 23.514,1073 11.176,1074 2.542,1075 13.636,1076 20.3,1077 -2.666,1078 12.468,1079 13.417,1080 8.526,1081 26.13,1082 12.433,1083 1.785,1084 6.997,1085 22.313,1086 3.621,1087 13.678,1088 14.626,1089 9.342,1090 28.74,1091 13.65,1092 1.732,1093 3.854,1094 24.33,1095 3.479,1096 14.919,1097 15.939,1098 10.216,1099 31.353,1100 14.894,1101 1.427,1102 3.634,1103 26.35,1104 1.993,1105 16.148,1106 17.181,1107 11.051,1108 33.965,1109 16.126,1110 1.246,1111 3.085,1112 28.372,1113 1.868,1114 17.387,1115 18.473,1116 11.912,1117 36.578,1118 17.367,1119 1,1120 2.684,1121 30.395,1122 1.658,1123 18.623,1124 19.731,1125 12.755,1126 39.191,1127 18.604,1128 4202,1129 6337,1130 13.981,1131 28.057,1132 30.428,1133 30.385,1134 31.555,1135 30.009,1136 30.009,1137 34.575,1138 4.682,1139 80.156,1140 29.234,1141 5.519,1142 6.026,1143 7.399,1144 5.487,1145 5.459,1146 6.206,1147 3.925,1148 20.381,1149 5.456,1150 7.678,1151 1.449,1152 1.447,1153 1.503,1154 1.429,1155 1.429,1156 1.646,1157 0.223,1158 3.817,1159 1.392,1160 3.968,1161 4.026,1162 3.878,1163 3.849,1164 7.473,1165 3.841,1166 3.909,1167 3.965,1168 3.821,1169 3.723,1170 6.351,1171 3.743,1172 3.652,1173 3.722,1174 3.485,1175 3.516,1176 4.953,1177 3.503,1178 3.421,1179 3.476,1180 3.284,1181 3.256,1182 4.277,1183 3.246,1184 3.239,1185 3.283,1186 3.082,1187 3.015,1188 4.098,1189 3.021,1190 3.111,1191 3.206,1192 2.866,1193 2.941,1194 3.824,1195 2.91,1196 2.918,1197 2.984,1198 2.721,1199 2.635,1200 3.522,1201 2.647,1202 2.735,1203 2.832,1204 2.476,1205 2.459,1206 3.474,1207 2.464,1208 0.215,1209 0.192,1210 0.361,1211 0.212,1212 0.165,1213 4.519,1214 0.172,1215 4.026,1216 0.111,1217 7.583,1218 0.649,1219 4.459,1220 0.165,1221 3.459,1222 3.621,1223 2.341,1224 13.636,1225 3.456,1226 1.93,1227 1.887,1228 2.127,1229 2.063,1230 1.534,1231 2.085,1232 1.758,1233 1.694,1234 1.998,1235 1.942,1236 1.351,1237 1.961,1238 1.554,1239 1.483,1240 1.795,1241 1.759,1242 1.11,1243 1.777,1244 1.352,1245 1.295,1246 1.584,1247 1.565,1248 0.851,1249 1.57,1250 1.283,1251 1.217,1252 1.513,1253 1.524,1254 0.825,1255 1.511,1256 1.153,1257 1.064,1258 1.479,1259 1.38,1260 0.621,1261 1.429,1262 1.099,1263 1.036,1264 1.367,1265 1.376,1266 0.446,1267 1.372,1268 0.78,1269 0.716,1270 1.17,1271 1.129,1272 0.303,1273 1.126,1274 3.761,1276 5.017,1277 2.398,1278 6.475,1279 4.443,1280 8.035,1281 6.26,1282 9.651,1289 9.506,1290 11.566,1296 -0.4,1300 25.794,1301 63.872,1302 118.002,1303 145.381,1304 180.045,1305 199.555,1306 206.309,1307 44.406,1308 5.956,1309 55.12,1310 55.12,1311 11,1312 11.805,1313 2.807,1314 2.17,1315 36.835,1316 74,1317 60,1318 0.241,1319 162.26,1320 281.4,1321 387.674,1322 2614,1324 14.261,1325 0.713,1326 0.613,1327 14.261,1328 12.26,1329 9.729,1330 0.463,1331 0.377,1332 7.846,1333 9.414,1334 7.703,1335 6.416,1336 9.729,1337 7.921,1338 8.181,1339 0.303,1340 0.226,1341 8.181,1342 6.111,1343 6.586,1344 0.2,1345 0.141,1346 6.586,1347 4.645,1348 4.935,1349 0.137,1350 0.092,1351 4.935,1352 3.33,1353 3.198,1354 0.094,1355 0.067,1356 3.198,1357 2.288,1358 0.391,1359 60.64,1360 0.267,1361 20.644,1362 0.621,1363 96,1364 241.175,1365 103.953,1366 231.136,1367 303.14,1368 214,1369 108,1370 210.596,1371 116.011,1372 213.062,1373 304.42,1374 199,1375 7.337} {0 CHEMBL555642,1 1.533,2 8.143,3 1.623,4 2.633,5 52.751,6 6.543,7 0.357,8 3.46,9 3.598,10 2.875,11 2.899,12 4.539,13 2.864,14 3.993,15 4.199,16 3.098,17 3.234,18 5.12,19 3.136,20 4.248,21 4.538,22 2.804,23 3.235,24 5.075,25 3.063,26 4.136,27 4.427,28 2.708,29 3.135,30 4.948,31 2.959,32 4.042,33 4.336,34 2.615,35 3.011,36 4.88,37 2.842,38 3.884,39 4.17,40 2.509,41 2.846,42 4.783,43 2.696,44 3.696,45 3.972,46 2.392,47 2.647,48 4.675,49 2.525,50 3.465,51 3.723,52 2.258,53 2.399,54 4.573,55 2.318,56 0.032,57 0.411,58 7.092,59 2.661,60 6.858,61 3.857,62 0.176,63 0.603,64 12.441,65 4.302,66 34.811,67 6.478,68 0.245,69 0.61,70 16.464,71 4.778,72 38.228,73 7.583,74 0.194,75 0.544,76 14.613,77 4.437,78 31.979,79 6.956,80 0.19,81 0.483,82 13.354,83 3.875,84 30.919,85 6.15,86 0.175,87 0.409,88 11.459,89 3.158,90 28.412,91 5.057,92 0.161,93 0.336,94 9.564,95 2.441,96 25.933,97 3.965,98 0.146,99 0.262,100 7.669,101 1.723,102 21.972,103 2.872,104 12,105 16,106 0.303,107 0.607,108 0.732,109 0.824,110 0.863,111 0.89,112 2.725,113 1.069,114 -2.48,115 -2.51,116 -2.45,118 33.3,120 6,143 1,149 1,154 1,157 1,163 1,167 1,168 5,169 1,172 2,175 2,177 2,180 4,181 1,186 2,191 2,194 3,195 1,198 2,203 2,206 2,207 1,210 2,215 2,218 1,219 1,222 2,227 2,230 1,234 2,239 2,248 1,253 1,258 1,262 2,263 1,270 190,271 9.38,272 9.38,273 9.38,274 9.38,275 9.38,276 8.552,277 6.78,278 6.152,279 9.522,280 6.949,281 6.949,282 6.949,283 6.949,284 6.949,285 5.752,286 3.363,287 2.991,288 7.173,289 3.374,290 1.834,291 1.2,292 0.733,293 0.533,294 0.4,295 3.347,299 1,300 1,301 225,302 3.082,305 44.993,313 1.429,314 14.525,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 31,326 114,327 3.92,328 3.596,329 5.352,330 3.479,331 2.542,332 3.479,333 2.341,334 6.997,335 2.38,336 3.55,337 2.734,338 4.659,339 3.24,340 2.235,341 2.71,343 5.184,344 2.221,345 2.822,346 1.794,347 3.773,348 2.714,349 1.72,350 1.862,352 3.494,353 1.704,354 2.589,355 1.462,356 3.44,357 2.287,358 1.308,359 1.599,361 2.736,362 1.276,363 2.118,364 1.114,365 3,366 1.895,367 0.91,368 1.017,370 1.888,371 0.892,372 2.071,373 0.631,374 3,375 1.518,376 0.618,377 0.927,379 1.372,380 0.556,381 1.352,382 0.618,383 2.427,384 1.214,385 0.221,386 0.239,388 0.466,389 0.218,390 0.669,391 0.262,392 1.857,393 0.486,394 -0.513,395 -0.548,397 -1.137,398 -0.504,399 0.386,400 -0.237,401 1.269,402 0.007,403 -1,404 -1.163,406 -2,407 -0.956,408 0.037,409 -0.798,410 1,411 -0.15,412 -1.12,413 -1.415,415 -2.526,416 -1.128,417 -0.118,418 -1.35,419 1,420 -0.539,421 -1.517,422 -1.729,424 -3.213,425 -1.456,426 -0.291,427 -1.618,428 0.67,429 -0.718,430 -1.618,431 -1.965,433 -4.138,434 -1.486,435 -0.68,436 -1.711,437 0.384,438 -0.83,439 -1.807,440 -2.427,441 -0.757,442 -4.372,443 -1.766,444 -0.925,445 -1.875,446 0.168,447 -1.002,448 -1.979,449 -2.585,450 -1.584,451 -4.751,452 -1.951,462 6.467,463 0.462,464 0.212,465 0.015,466 14,467 1,468 5.5,469 0.393,470 8.5,471 0.607,472 10.471,473 0.748,474 16.933,475 0.564,476 7.054,477 0.504,478 2.582,479 0.184,480 4.206,481 0.3,482 0.103,484 0.155,487 0.847,488 1.547,489 0.957,490 1.322,491 0.704,492 1.177,493 0.437,494 1.428,495 0.987,496 1.407,497 0.351,498 1.312,499 0.925,500 0.885,501 1.031,502 0.937,503 0.881,504 0.991,505 0.815,506 0.938,507 0.964,508 0.987,509 0.799,510 1.003,511 0.89,512 0.901,513 0.951,514 0.929,515 0.879,516 0.949,517 1.044,518 0.909,519 0.994,520 0.911,521 1.039,522 0.937,523 1.269,524 0.921,525 1.057,526 0.885,527 1.272,528 0.921,529 1.629,530 0.939,531 1.157,532 0.843,533 1.604,534 0.895,535 2,536 0.04,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.041,543 0.081,544 0.055,545 1527,546 4789,547 1.919,548 53.3,549 8,551 1,552 1,553 2,554 4,558 1.492,559 1.826,560 3.053,561 0.547,565 1,567 45.987,568 1.533,569 3.073,570 3.707,571 4.174,572 4.374,573 4.507,574 2.468,575 2.95,576 3.781,577 3.214,578 292.433,579 6.227,580 2509.34,582 1,585 147.207,586 1.149,587 3.753,588 0.143,589 0.01,590 0.042,591 0.032,592 0.02,593 0.015,594 0.012,595 0.006,596 0.013,597 0.009,598 0.302,599 0.5,600 1,601 2.577,602 56.489,603 -0.092,604 -0.161,605 -0.01,606 -0.035,607 -0.03,608 -0.013,609 0.238,610 -0.235,611 -0.066,612 -0.264,613 0.258,614 -0.231,615 -0.113,616 0.04,617 -0.095,618 0.005,619 -0.087,620 -0.033,621 -0.06,622 -0.026,623 -0.041,624 -0.022,625 -0.059,626 -0.027,627 -0.073,628 -0.009,629 -0.016,630 0.008,631 -0.075,632 0.008,633 -0.115,634 -0.012,635 -0.037,636 0.009,637 -0.116,638 0.003,639 -0.176,640 -0.015,641 -0.068,642 0.009,643 -0.177,644 -0.004,645 -0.275,646 -0.02,647 -0.118,648 0.011,649 -0.23,650 -0.015,651 2.365,652 3.204,653 0.357,654 9.571,655 1.001,656 1.144,657 1.253,658 1.57,659 0.608,660 2.708,661 2.833,662 2.833,663 2.89,664 2.639,665 2.565,666 2.485,667 2.398,668 2.398,669 2.197,670 5.202,671 0.572,672 196.28,673 2.708,674 4.111,675 4.828,676 5.587,677 6.323,678 7.086,679 7.83,680 8.595,681 9.346,682 10.113,683 6.7,691 1,693 1,699 2,700 1,701 1,704 1,706 5,724 30,726 6,728 14,730 30,731 10,733 3,739 1,740 1,751 6,753 4,754 6,756 1,761 1,765 1,769 1,772 16,773 3,774 2,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,840 14,845 1,846 6,862 6.7,864 1,865 1,869 7.667,870 4.983,871 3.333,872 1.965,874 0.9,875 1.179,876 0.876,877 5.121,878 5.923,879 2.918,880 3.268,881 3.508,882 3.862,883 3.446,884 3.414,885 3.38,886 3.346,887 3.446,888 3.446,889 1,890 11,891 5.154,892 0.002,893 2.006,894 7.988,895 9.858,896 0.001,897 7.5,898 0.001,899 2.488,900 34.833,901 0.005,904 164.795,905 36.54,906 33.571,908 67.828,911 36.54,912 232.624,913 33.571,915 15.207,916 9.047,917 99.623,918 25.833,919 11.771,920 141.253,922 164.795,923 70.111,924 67.828,927 164.795,928 67.828,931 43.368,932 9.957,933 16.786,935 164.795,936 101.399,937 36.54,940 164.795,941 18.445,942 18.095,943 16.786,944 84.614,945 164.795,946 101.399,947 36.54,949 0.535,950 0.261,951 0.127,952 0.05,953 5,954 2,955 0.233,956 7,958 1,959 2.824,960 69.878,962 5,963 51.303,968 11.09,969 6.464,970 5.388,972 84.614,973 3.569,974 4.113,975 3.041,978 1.017,980 59.469,981 302.735,982 17.5,987 10.204,991 -0.698,994 30.043,995 34.322,996 0.312,997 0.626,998 0.755,999 0.851,1000 0.891,1001 0.918,1002 4.03,1003 -0.513,1004 4.691,1005 0.466,1006 3.497,1007 3.942,1008 2.258,1009 5.209,1010 3.433,1011 5.111,1012 -1,1013 6.061,1014 -1.137,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.453,1020 6.305,1021 -1.12,1022 7.522,1023 -2,1024 4.796,1025 5.802,1026 3.628,1027 8.45,1028 4.657,1029 7.534,1030 -1.517,1031 9.04,1032 -2.526,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.477,1038 8.797,1039 -1.618,1040 10.596,1041 -3.213,1042 6.319,1043 7.947,1044 5.201,1045 12.008,1046 6.089,1047 10.081,1048 -1.807,1049 12.181,1050 -4.138,1051 6.666,1052 8.683,1053 5.889,1054 13.616,1055 6.318,1056 11.383,1057 -1.979,1058 13.786,1059 -4.372,1060 7.966,1061 10.242,1062 6.849,1063 15.731,1064 7.628,1065 2.542,1067 15.406,1068 -4.751,1069 8.552,1070 11.213,1071 7.625,1072 17.524,1073 8.088,1074 2.235,1075 6.997,1076 17.037,1078 9.687,1079 12.621,1080 8.526,1081 19.538,1082 9.227,1083 1.72,1084 5.184,1085 18.676,1086 3.479,1087 10.412,1088 13.718,1089 9.342,1090 21.415,1091 9.827,1092 1.308,1093 3.494,1094 20.322,1095 2.71,1096 11.456,1097 15.049,1098 10.216,1099 23.388,1100 10.864,1101 0.91,1102 2.736,1103 21.973,1104 1.862,1105 12.261,1106 16.214,1107 11.051,1108 25.303,1109 11.552,1110 0.618,1111 1.888,1112 23.628,1113 1.599,1114 13.254,1115 17.504,1116 11.912,1117 27.259,1118 12.525,1119 0.221,1120 1.372,1121 25.287,1122 1.017,1123 14.107,1124 18.706,1125 12.755,1126 29.19,1127 13.269,1128 1636,1129 2955,1130 9.129,1131 18.25,1132 19.342,1133 19.275,1134 19.303,1135 19.093,1136 19.107,1137 23.665,1138 4.682,1139 44.274,1140 18.496,1141 4.845,1142 5.471,1143 5.185,1144 4.48,1145 4.521,1146 6.064,1147 3.925,1148 11.749,1149 4.331,1150 6.371,1151 1.382,1152 1.377,1153 1.379,1154 1.364,1155 1.365,1156 1.69,1157 0.334,1158 3.162,1159 1.321,1160 3.93,1161 3.997,1162 3.858,1163 3.747,1164 7.474,1165 3.762,1166 3.737,1167 3.793,1168 3.607,1169 3.578,1170 6.351,1171 3.577,1172 3.486,1173 3.533,1174 3.353,1175 3.295,1176 4.982,1177 3.298,1178 3.147,1179 3.199,1180 2.973,1181 2.918,1182 4.119,1183 2.924,1184 2.767,1185 2.845,1186 2.531,1187 2.503,1188 3.766,1189 2.505,1190 2.461,1191 2.592,1192 2.256,1193 2.134,1194 3.611,1195 2.133,1196 2.382,1197 2.508,1198 2.103,1199 2.011,1200 3.35,1201 2.032,1202 2.139,1203 2.278,1204 1.822,1205 1.789,1206 2.989,1207 1.767,1208 0.28,1209 0.257,1210 0.382,1211 0.248,1212 0.182,1213 3.92,1214 0.248,1215 3.596,1216 0.167,1217 5.352,1218 0.5,1219 3.479,1220 0.17,1221 2.542,1222 3.479,1223 2.341,1224 6.997,1225 2.38,1226 1.787,1227 1.729,1228 2.024,1229 1.954,1230 1.376,1231 1.979,1232 1.584,1233 1.528,1234 1.81,1235 1.803,1236 1.102,1237 1.802,1238 1.408,1239 1.342,1240 1.608,1241 1.641,1242 0.73,1243 1.637,1244 1.269,1245 1.215,1246 1.494,1247 1.521,1248 0.558,1249 1.509,1250 0.941,1251 0.874,1252 1.22,1253 1.27,1254 0.331,1255 1.257,1256 0.605,1257 0.513,1258 0.993,1259 0.985,1260 0.058,1261 1,1262 0.312,1263 0.181,1264 0.815,1265 0.726,1267 0.777,1268 0.09,1270 0.698,1271 0.526,1273 0.599,1274 3.367,1276 4.533,1277 2.398,1278 5.832,1279 4.443,1280 7.195,1281 6.26,1282 8.598,1289 8.405,1290 5.183,1300 17.16,1301 45.987,1302 92.187,1303 111.207,1304 125.207,1305 131.207,1306 135.207,1307 24.84,1308 5.024,1309 65.98,1310 65.98,1311 5,1312 10.742,1313 2.807,1314 2.17,1315 28.463,1316 44,1317 32,1318 0.316,1319 112.099,1320 189.96,1321 265.282,1322 740,1324 10.226,1325 0.73,1326 0.586,1327 10.226,1328 8.2,1329 6.788,1330 0.485,1331 0.356,1332 4.925,1333 6.498,1334 4.852,1335 4.064,1336 6.788,1337 4.989,1338 5.536,1339 0.346,1340 0.209,1341 5.536,1342 3.344,1343 3.619,1344 0.226,1345 0.132,1346 3.619,1347 2.109,1348 2.638,1349 0.155,1350 0.08,1351 2.638,1352 1.357,1353 1.434,1354 0.11,1355 0.058,1356 1.434,1357 0.755,1358 0.52,1359 42.789,1360 0.331,1361 15.191,1362 0.791,1363 60,1364 201.863,1365 67.925,1366 191.07,1367 243.49,1368 176,1369 62,1370 163.103,1371 68.016,1372 161.867,1373 225.49,1374 152,1375 4.699} {0 CHEMBL555812,1 1.528,2 14.694,3 5.414,4 29.307,5 141.052,6 7.616,7 0.59,8 4.263,9 4.363,10 3.963,11 3.892,12 5.339,13 3.834,14 4.798,15 4.944,16 4.233,17 4.285,18 6.056,19 4.198,20 5.108,21 5.314,22 4.282,23 4.449,24 6.119,25 4.325,26 5.185,27 5.401,28 4.247,29 4.444,30 6.219,31 4.313,32 5.203,33 5.436,34 4.238,35 4.437,36 6.194,37 4.294,38 5.172,39 5.404,40 4.239,41 4.403,42 6.175,43 4.25,44 5.125,45 5.348,46 4.243,47 4.336,48 6.246,49 4.2,50 5.04,51 5.246,52 4.218,53 4.263,54 6.209,55 4.153,56 0.093,57 0.894,58 16.093,59 6.773,60 21.444,61 8.187,62 0.385,63 1.463,64 26.013,65 11.394,66 79.999,67 14.406,68 0.276,69 1.923,70 41.147,71 16.365,72 71.656,73 20.522,74 0.407,75 2.052,76 44.355,77 16.774,78 96.77,79 21.123,80 0.45,81 2.101,82 45.664,83 17.018,84 91.095,85 21.733,86 0.381,87 2.031,88 47.246,89 17.275,90 87.708,91 21.672,92 0.53,93 1.909,94 45.566,95 16.199,96 111.849,97 19.62,98 0.366,99 1.765,100 41.811,101 14.738,102 88.737,103 17.396,104 23,105 53,106 0.239,107 0.541,108 0.713,109 0.847,110 0.885,111 0.895,112 3.615,113 1.048,114 -4.77,115 -4.68,116 -4.4,118 43.9,120 5,121 1,124 1,140 13,141 5,142 1,143 2,154 1,163 1,167 1,168 24,169 1,171 1,172 3,175 3,177 2,180 29,181 1,186 7,191 5,194 29,195 1,198 8,203 5,206 24,207 1,210 8,213 1,215 4,218 21,219 1,222 8,227 3,229 17,230 1,233 2,234 10,239 4,242 13,243 1,247 12,252 4,253 1,255 12,256 1,259 11,260 1,262 1,263 1,264 4,267 12,268 1,270 2696,271 24.335,272 24.335,273 24.335,274 24.335,275 24.335,276 21.192,277 10.618,278 14.722,279 24.568,280 19.275,281 19.275,282 19.275,283 19.275,284 19.275,285 14.577,286 5.844,287 6.986,288 19.662,289 4.516,290 2.588,291 1.49,292 0.64,293 0.394,294 0.333,295 4.311,300 1,301 1134,302 4.69,306 501.862,310 193.759,313 2.323,314 40.862,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 77,326 529,327 4.846,328 4.683,329 7.294,330 4.3,331 3.379,332 4.7,333 2.341,334 12.409,335 3.138,336 4.557,337 3.596,338 6.688,339 4.114,340 3.116,341 4.481,343 10.826,344 3.054,345 4.069,346 3.12,347 6.134,348 3.819,349 2.826,350 3.549,352 9.021,353 2.804,354 3.93,355 3.066,356 5.759,357 3.489,358 2.489,359 3.523,361 7.785,362 2.487,363 3.55,364 2.493,365 4.943,366 3.24,367 2.235,368 2.759,370 5.421,371 2.222,372 3.373,373 2.005,374 4.659,375 2.925,376 1.945,377 2.71,379 5.185,380 1.905,381 3.211,382 1.872,383 4.602,384 2.848,385 1.853,386 2.427,388 4.687,389 1.841,390 3.118,391 1.688,392 4.48,393 2.618,394 1.618,395 2.391,397 4.32,398 1.618,399 2.914,400 1.618,401 4.036,402 2.557,403 1.565,404 2.092,406 3.573,407 1.546,408 2.752,409 1.529,410 3.657,411 2.423,412 1.431,413 1.877,415 3.205,416 1.417,417 2.712,418 1.273,419 3.585,420 2.253,421 1.254,422 1.737,424 2.791,425 1.253,426 2.5,427 1.246,428 3.519,429 2.155,430 1.177,431 1.5,433 2.692,434 1.148,435 2.5,436 1.1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 2.472,445 1,446 3.325,447 1.956,448 1,449 1.456,451 2.136,452 0.953,453 2.226,454 1,455 3.247,456 1.819,457 0.836,458 1.094,460 1.839,461 0.817,462 17.467,463 0.485,464 0.821,465 0.023,466 47.75,467 1.326,468 26.5,469 0.736,470 21.25,471 0.59,472 31.569,473 0.877,474 38.333,475 0.581,476 39.122,477 1.087,478 9.032,479 0.251,480 8.405,481 0.233,482 0.076,483 0.048,484 0.229,487 0.578,488 1.132,489 0.844,490 1.117,491 0.672,492 0.938,493 0.465,494 1.065,495 0.926,496 1.044,497 0.451,498 1.056,499 0.821,500 1.037,501 1.054,502 1.058,503 0.794,504 1.002,505 1.066,506 1.045,507 1.092,508 1.027,509 1.045,510 1.043,511 0.981,512 0.932,513 1.03,514 0.948,515 0.955,516 0.988,517 0.934,518 1.024,519 1.119,520 1.078,521 0.93,522 1.007,523 1.193,524 0.962,525 1.158,526 1.015,527 1.255,528 0.945,529 1.355,530 1.099,531 1.231,532 1.124,533 1.374,534 0.977,535 6.5,536 0.256,537 4.444,538 2.125,539 1.289,540 1.125,541 0.869,542 0.623,543 0.456,544 0.305,545 21033,546 57639,547 2.066,548 45.5,549 8,550 15,552 2,553 2,554 2,555 1,558 1.774,559 1.955,560 3.794,561 0.121,567 100.842,568 1.528,569 3.456,570 4.554,571 5.404,572 5.65,573 5.711,574 3.295,575 4.649,576 5.138,577 4.027,578 2537.17,579 9.033,580 42417.9,585 398.93,586 1.391,587 5.105,588 0.167,589 0.007,590 0.084,591 0.039,592 0.025,593 0.023,594 0.018,595 0.013,596 0.01,597 0.007,598 0.393,599 0.17,600 0.75,601 1.357,602 199.522,603 0.056,604 -0.012,605 0.169,606 0.001,607 -0.1,608 0.052,609 0.282,610 0.005,611 -0.02,612 -0.038,613 0.263,614 -0.084,615 -0.044,616 -0.034,617 -0.027,618 -0.012,619 -0.015,620 0.007,621 -0.12,622 -0.043,623 -0.092,624 -0.032,625 -0.094,626 -0.06,627 -0.084,628 0.074,629 -0.025,630 0.039,631 -0.09,632 -0.001,633 -0.046,634 -0.026,635 0.009,636 -0.011,637 -0.042,638 0.004,639 -0.037,640 0.045,641 0.015,642 0.054,643 -0.055,644 0.042,645 -0.114,646 -0.075,647 -0.03,648 -0.041,649 -0.082,650 -0.001,651 4.616,652 6.087,653 0.611,654 46.938,655 0.999,656 1.115,657 3.542,658 12.544,659 0.684,660 3.689,661 3.989,662 4.22,663 4.431,664 4.654,665 4.7,666 4.852,667 4.934,668 5.024,669 5.03,670 8.67,671 0.643,672 502.68,673 3.689,674 5.22,675 6.052,676 6.917,677 7.769,678 8.641,679 9.504,680 10.381,681 11.249,682 12.129,683 3,685 1,693 1,698 2,699 15,700 1,704 4,706 23,724 66,726 26,727 3,728 39,730 69,731 29,733 21,734 5,735 11,739 4,740 5,751 5,753 22,754 7,755 1,756 3,760 1,761 3,765 1,772 30,773 6,774 2,775 7,776 1,779 2,784 0.75,785 4,795 1,802 4,806 1,818 1,830 1,832 3,834 1,840 36,844 1,845 1,846 6,847 1,850 1,862 6.1,864 1,865 3,869 18.417,870 11.4,871 7.986,872 4.051,874 4.103,875 1.519,876 0.976,877 8.611,878 12.011,879 3.998,880 4.6,881 5.133,882 5.694,883 6.267,884 6.526,885 7.006,886 7.393,887 7.811,888 8.015,889 0.9,890 55,891 13.607,893 6.028,894 7.873,895 25.59,897 21.362,899 2.373,900 85.417,904 329.591,905 179.035,906 33.191,908 112.141,910 5.807,911 173.228,912 441.732,913 33.191,915 14.778,916 145.404,917 153.379,918 34.348,920 306.049,922 329.591,923 206.418,924 112.141,925 5.807,927 317.82,928 123.912,931 49.278,932 140.354,933 22.593,935 329.591,936 145.332,937 179.035,939 5.807,940 329.591,941 31.942,942 141.286,943 16.405,944 128.927,945 329.591,946 145.332,947 179.035,949 0.573,950 0.323,951 0.168,952 0.091,953 23,954 10,955 0.174,956 12,957 1,958 1.091,959 4.711,960 329.188,961 0.091,962 22,963 178.117,967 1,968 25.721,969 12.052,970 6.869,971 2.258,972 145.332,973 28.449,974 4.181,978 3.201,980 59.088,981 653.958,982 53.5,986 -3.699,987 36.915,991 -0.793,994 65.96,995 73.567,996 0.253,997 0.572,998 0.753,999 0.894,1000 0.935,1001 0.945,1002 5.214,1003 1.618,1004 6.038,1005 4.687,1006 4.673,1007 5.288,1008 2.258,1009 6.851,1010 4.632,1011 6.429,1012 1.565,1013 7.602,1014 4.32,1015 4.29,1016 5.223,1017 2.243,1018 8.003,1019 4.183,1020 7.756,1021 1.431,1022 9.289,1023 3.573,1024 6.297,1025 7.576,1026 3.628,1027 11.041,1028 6.191,1029 9.129,1030 1.254,1031 11.054,1032 3.205,1033 6.792,1034 8.393,1035 4.112,1036 13.067,1037 6.595,1038 10.545,1039 1.177,1040 12.874,1041 2.791,1042 8.273,1043 10.239,1044 5.201,1045 15.693,1046 8.07,1047 11.991,1048 1,1049 14.73,1050 2.692,1051 9.16,1052 11.448,1053 5.889,1054 18.016,1055 8.863,1056 13.461,1057 1,1058 16.612,1059 2.275,1060 10.445,1061 13.101,1062 6.849,1063 20.536,1064 10.123,1065 3.379,1066 0.836,1067 18.513,1068 2.136,1069 11.503,1070 14.486,1071 7.625,1072 22.964,1073 11.095,1074 3.116,1075 12.409,1076 20.428,1077 1.839,1078 12.718,1079 16.062,1080 8.526,1081 25.459,1082 12.267,1083 2.826,1084 10.826,1085 22.354,1086 4.7,1087 13.851,1088 17.527,1089 9.342,1090 27.928,1091 13.32,1092 2.489,1093 9.021,1094 24.289,1095 4.481,1096 15.046,1097 19.073,1098 10.216,1099 30.422,1100 14.459,1101 2.235,1102 7.785,1103 26.23,1104 3.549,1105 16.212,1106 20.574,1107 11.051,1108 32.91,1109 15.55,1110 1.945,1111 5.421,1112 28.177,1113 3.523,1114 17.402,1115 22.11,1116 11.912,1117 35.408,1118 16.677,1119 1.853,1120 5.185,1121 30.129,1122 2.759,1123 18.584,1124 23.627,1125 12.755,1126 37.905,1127 17.785,1128 20120,1129 33451,1130 26.118,1131 45.137,1132 57.594,1133 58.975,1134 58.486,1135 57.605,1136 57.568,1137 78.035,1138 4.682,1139 161.286,1140 56.494,1141 5.802,1142 6.683,1143 7.096,1144 5.358,1145 5.379,1146 7.7,1147 3.925,1148 19.66,1149 5.138,1150 16.578,1151 1.477,1152 1.512,1153 1.5,1154 1.477,1155 1.476,1156 2.001,1157 0.12,1158 4.136,1159 1.449,1160 4.146,1161 4.153,1162 4.735,1163 4.123,1164 7.717,1165 4.094,1166 4.018,1167 4.018,1168 4.057,1169 3.993,1170 7.474,1171 3.926,1172 3.911,1173 3.937,1174 3.849,1175 3.829,1176 6.999,1177 3.823,1178 3.734,1179 3.786,1180 3.669,1181 3.599,1182 6.351,1183 3.59,1184 3.646,1185 3.664,1186 3.607,1187 3.569,1188 4.929,1189 3.517,1190 3.506,1191 3.538,1192 3.401,1193 3.363,1194 4.889,1195 3.357,1196 3.422,1197 3.463,1198 3.326,1199 3.324,1200 4.644,1201 3.304,1202 3.251,1203 3.285,1204 3.13,1205 3.056,1206 4.311,1207 3.058,1208 0.124,1209 0.12,1210 0.187,1211 0.11,1212 0.087,1213 4.846,1214 0.121,1215 4.683,1216 0.06,1217 7.294,1218 0.318,1219 4.3,1220 0.08,1221 3.379,1222 4.7,1223 2.341,1224 12.409,1225 3.138,1226 2.105,1227 2.092,1228 2.176,1229 2.149,1230 1.419,1231 2.165,1232 1.94,1233 1.937,1234 2.067,1235 2.044,1236 1.331,1237 2.067,1238 1.886,1239 1.857,1240 1.949,1241 1.964,1242 1.217,1243 1.995,1244 1.728,1245 1.675,1246 1.936,1247 1.894,1248 1.122,1249 1.911,1250 1.562,1251 1.548,1252 1.74,1253 1.736,1254 0.891,1255 1.752,1256 1.477,1257 1.435,1258 1.648,1259 1.631,1260 0.796,1261 1.652,1262 1.39,1263 1.369,1264 1.55,1265 1.558,1266 0.698,1267 1.581,1268 1.19,1269 1.152,1270 1.283,1271 1.398,1272 0.551,1273 1.416,1274 4.369,1276 5.673,1278 7.177,1280 8.772,1282 10.416,1289 8.826,1290 3.356,1291 2.772,1294 -0.048,1300 42.464,1301 100.842,1302 228.115,1303 300.56,1304 356.665,1305 372.93,1306 376.93,1307 88.891,1308 7.908,1309 96.36,1310 104.74,1311 24,1312 12.668,1313 4.755,1314 3.954,1315 62.235,1316 186,1317 196,1318 0.157,1319 264.95,1320 461.21,1321 638.239,1322 32966,1324 25.382,1325 0.705,1326 0.578,1327 25.632,1328 20.824,1329 17.437,1330 0.447,1331 0.349,1332 12.172,1333 16.253,1334 11.796,1335 9.799,1336 18.259,1337 13.618,1338 15.632,1339 0.295,1340 0.201,1341 16.956,1342 10.646,1343 12.445,1344 0.186,1345 0.117,1346 13.536,1347 7.824,1348 10.021,1349 0.121,1350 0.066,1351 10.876,1352 5.514,1353 8.142,1354 0.078,1355 0.039,1356 8.94,1357 4.018,1358 0.254,1359 115.918,1360 0.196,1361 33.503,1362 0.415,1363 184,1364 522.195,1365 232.391,1366 531.913,1367 713.52,1368 490,1369 212,1370 484.319,1371 265.382,1372 530.798,1373 765.23,1374 499,1375 7.046} {0 CHEMBL556014,1 1.554,2 8.647,3 1.467,4 2.152,5 64.584,6 7.429,7 0.611,8 3.525,9 3.638,10 3.077,11 3.052,12 4.698,13 3.036,14 4.012,15 4.182,16 3.356,17 3.409,18 5.233,19 3.358,20 4.218,21 4.426,22 3.169,23 3.483,24 5.217,25 3.363,26 4.234,27 4.49,28 3.092,29 3.392,30 5.189,31 3.248,32 4.14,33 4.405,34 3.016,35 3.197,36 5.208,37 3.095,38 3.816,39 4.033,40 2.85,41 3.024,42 4.911,43 2.939,44 3.716,45 3.969,46 2.641,47 2.887,48 4.641,49 2.76,50 3.575,51 3.84,52 2.367,53 2.54,54 4.609,55 2.448,56 0.032,57 0.44,58 6.222,59 2.759,60 8.112,61 3.561,62 0.212,63 0.688,64 11.204,65 4.351,66 33.409,67 5.906,68 0.185,69 0.758,70 14.805,71 5.789,72 32.583,73 7.803,74 0.112,75 0.743,76 15.684,77 6.015,78 23.906,79 8.634,80 0.217,81 0.641,82 15.163,83 4.884,84 36.945,85 6.951,86 0.145,87 0.492,88 10.198,89 3.591,90 25.167,91 4.886,92 0.072,93 0.451,94 9.215,95 3.362,96 14.836,97 4.907,98 0.169,99 0.35,100 8.787,101 2.421,102 27.719,103 3.449,104 7,105 23,106 0.295,107 0.664,108 0.806,109 0.83,110 0.855,111 0.855,112 2.905,113 0.915,114 -3.07,115 -3.07,116 -2.95,118 41.9,120 2,124 1,140 4,141 2,143 1,149 1,154 1,156 1,163 1,167 1,168 8,169 1,171 1,172 2,175 1,177 1,180 10,181 1,186 2,191 1,194 7,195 2,198 5,203 2,206 2,207 2,210 5,215 2,218 1,219 1,222 4,227 1,230 1,234 4,239 1,247 1,248 1,258 1,259 1,262 1,270 320,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.878,277 12.067,278 7.053,279 11.621,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 6.656,286 10.145,287 3.404,288 9.206,289 3.4,290 1.457,291 0.71,292 0.581,293 0.452,294 0.452,295 3.561,299 1,300 1,301 305,302 2.739,305 52.629,306 58.618,313 1.668,314 14.354,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37,326 147,327 4.066,328 3.635,329 5.543,330 3.696,331 2.701,332 3.652,333 2.397,334 7.543,335 2.689,336 3.915,337 2.834,338 5.367,339 3.472,340 2.539,341 3.474,342 0.242,343 7.045,344 2.387,345 3.625,346 2.619,347 5.165,348 3.28,349 2.293,350 2.893,352 6.48,353 2.229,354 3.264,355 2.373,356 4.398,357 2.849,358 1.846,359 2.448,361 4.507,362 1.832,363 2.664,364 1.374,365 3.52,366 2.228,367 1.293,368 1.721,370 2.792,371 1.207,372 2.5,373 1,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.118,382 0.899,383 3,384 1.566,385 0.618,386 0.927,388 1.372,389 0.579,390 1.826,391 0.618,392 3,393 1.55,394 0.59,395 0.705,397 1.361,398 0.569,399 1.248,400 0.584,401 2.505,402 0.954,403 -0.041,404 -0.049,406 -0.098,407 -0.04,408 0.676,409 0.205,410 2.084,411 0.309,412 -0.684,413 -0.801,415 -1.778,416 -0.657,417 0.5,418 -0.31,419 2,421 -1,422 -1.283,424 -2,425 -0.967,426 0.341,427 -0.834,428 1.358,429 -0.015,430 -1,431 -1.5,433 -2.629,434 -1,435 0.166,436 -1,437 1,438 -0.171,439 -1.12,440 -1.503,442 -3,443 -1.092,444 -0.118,445 -1.291,446 1,447 -0.637,448 -1.604,449 -1.886,451 -3.93,452 -1.47,453 -0.256,454 -1.562,455 0.973,456 -0.706,457 -1.618,458 -2.282,460 -4.372,461 -1.548,462 7.967,463 0.469,464 0.349,465 0.021,466 22.25,467 1.309,468 11.5,469 0.676,470 10.75,471 0.632,472 10.136,473 0.596,474 18.433,475 0.595,476 13.485,477 0.793,478 4.635,479 0.273,480 3.603,481 0.212,482 0.084,484 0.238,487 0.804,488 1.364,489 0.8,490 1.099,491 0.702,492 0.975,493 0.588,494 0.991,495 0.94,496 0.995,497 0.404,498 1.008,499 0.94,500 1.039,501 1.205,502 1.152,503 0.97,504 1.219,505 0.491,506 1.112,507 0.896,508 1.18,509 0.458,510 1.123,511 1.05,512 0.839,513 0.882,514 0.826,515 0.991,516 0.822,517 1.134,518 1.008,519 1.05,520 0.976,521 1.136,522 0.999,523 0.528,524 1.168,525 0.905,526 1.149,527 0.495,528 1.099,529 1.528,530 0.806,531 1.101,532 0.755,533 1.512,534 0.828,535 3.5,536 0.046,537 1.111,538 0.472,539 0.667,540 0.295,541 0.19,542 0.137,543 0.059,544 0.065,545 2613,546 8244,547 2.028,548 45.2,550 6,551 1,552 2,553 1,554 2,555 2,558 1.56,559 1.925,560 3.123,561 -0.256,563 1,564 1,565 1,567 48.171,568 1.554,569 3.497,570 4.245,571 4.374,572 4.503,573 4.503,574 2.542,575 3.337,576 4.056,577 3.288,578 447.136,579 6.814,580 4217.9,582 1,584 1,585 153.58,586 1.261,587 4.03,588 0.194,589 0.008,590 0.048,591 0.026,592 0.042,593 0.02,594 0.015,595 0.014,596 0.008,597 0.011,598 0.386,599 0.67,600 1,601 1.085,602 72.531,603 -0.072,604 -0.203,605 0.02,606 -0.041,607 -0.061,608 -0.007,609 0.155,610 0.142,611 -0.068,612 0.002,613 0.207,614 -0.054,615 -0.159,616 -0.057,617 -0.296,618 -0.14,619 -0.16,620 -0.227,621 0.078,622 -0.198,623 0.038,624 -0.178,625 0.092,626 -0.092,627 -0.069,628 0.056,629 0.135,630 0.119,631 -0.003,632 0.16,633 -0.156,634 -0.045,635 -0.09,636 0.002,637 -0.139,638 -0.029,639 0.051,640 -0.217,641 0.03,642 -0.17,643 0.018,644 -0.088,645 -0.241,646 0.099,647 -0.034,648 0.13,649 -0.229,650 0.098,651 2.462,652 3.524,653 0.647,654 13.792,655 1.005,656 1.126,657 1.838,658 3.38,659 0.661,660 2.944,661 3.178,662 3.296,663 3.466,664 3.497,665 3.434,666 3.497,667 3.497,668 3.367,669 3.367,670 5.341,671 0.633,672 230.29,673 2.944,674 4.419,675 5.198,676 6.019,677 6.815,678 7.636,679 8.439,680 9.26,681 10.067,682 10.887,683 6.5,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 31,726 12,727 1,728 18,730 32,731 13,733 9,734 2,735 4,739 2,740 2,751 2,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,840 17,845 1,846 3,862 6.5,864 1,865 1,869 8.833,870 5.35,871 3.833,872 1.75,874 1.976,875 1.338,876 0.929,877 3.809,878 7.822,879 3.239,880 3.755,881 4.169,882 4.658,883 4.909,884 4.913,885 5.173,886 5.44,887 5.538,888 5.837,889 0.833,890 18,891 6.239,893 2.544,894 7.941,895 11.794,897 9.258,899 2.441,900 41.5,901 0.001,904 153.024,905 79.074,906 18.685,908 67.828,911 79.074,912 220.853,913 18.685,915 7.175,916 46.952,917 117.684,918 17.318,919 11.771,920 117.711,922 153.024,923 97.759,924 67.828,927 129.482,928 91.37,931 26.74,932 54.233,933 16.786,935 153.024,936 86.513,937 79.074,940 153.024,941 14.456,942 66.518,944 84.614,945 153.024,946 86.513,947 79.074,949 0.562,950 0.292,951 0.153,952 0.074,953 10,954 4,955 0.156,956 5,958 1,959 3.1,960 105.616,962 11,963 65.487,968 11.711,969 5.529,970 3.627,972 84.614,973 13.187,974 3.979,978 2.039,979 2.019,980 42.683,981 318.611,982 24.5,987 10.524,991 -0.795,994 31.16,995 34.907,996 0.314,997 0.706,998 0.857,999 0.883,1000 0.909,1001 0.909,1002 4.404,1003 0.59,1004 5.13,1005 1.372,1006 3.85,1007 4.437,1008 2.35,1009 5.784,1010 3.794,1011 5.569,1012 -0.041,1013 6.586,1014 1.361,1015 3.219,1016 3.98,1017 2.243,1018 6.326,1019 3.141,1020 6.824,1021 -0.684,1022 8.129,1023 -0.098,1024 5.293,1025 6.491,1026 3.742,1027 9.298,1028 5.188,1029 8.11,1030 -1,1031 9.722,1032 -1.778,1033 5.442,1034 6.827,1035 4.213,1036 10.621,1037 5.31,1038 9.42,1039 -1,1040 11.344,1041 -2,1042 6.956,1043 8.767,1044 5.351,1045 13.04,1046 6.808,1047 10.747,1048 -1.12,1049 12.986,1050 -2.629,1051 7.476,1052 9.484,1053 6.05,1054 14.696,1055 7.302,1056 12.085,1057 -1.604,1058 14.641,1059 -3,1060 8.73,1061 11.155,1062 7.042,1063 16.89,1064 8.546,1065 2.701,1066 -1.618,1067 16.305,1068 -3.93,1069 9.448,1070 12.084,1071 7.838,1072 18.71,1073 9.242,1074 2.539,1075 7.543,1076 17.976,1077 -4.372,1078 10.569,1079 13.607,1080 8.766,1081 20.799,1082 10.357,1083 2.293,1084 7.045,1085 19.651,1086 3.652,1087 11.397,1088 14.662,1089 9.604,1090 22.702,1091 11.17,1092 1.846,1093 6.48,1094 21.329,1095 3.474,1096 12.449,1097 16.098,1098 10.503,1099 24.742,1100 12.216,1101 1.293,1102 4.507,1103 23.011,1104 2.893,1105 13.34,1106 17.231,1107 11.361,1108 26.69,1109 13.097,1110 1,1111 2.792,1112 24.694,1113 2.448,1114 14.355,1115 18.614,1116 12.247,1117 28.708,1118 14.109,1119 0.618,1120 2.275,1121 26.38,1122 1.721,1123 15.283,1124 19.798,1125 13.113,1126 30.68,1127 15.03,1128 2639,1129 4754,1130 12.019,1131 20.489,1132 26.178,1133 26.172,1134 25.926,1135 25.727,1136 25.758,1137 34.641,1138 5.279,1139 66.748,1140 24.987,1141 4.902,1142 5.635,1143 5.174,1144 4.725,1145 4.701,1146 6.652,1147 4.03,1148 12.832,1149 4.689,1150 7.196,1151 1.454,1152 1.454,1153 1.44,1154 1.429,1155 1.431,1156 1.924,1157 0.293,1158 3.708,1159 1.388,1160 3.991,1161 4.039,1162 3.922,1163 3.907,1164 7.474,1165 3.903,1166 3.868,1167 3.916,1168 3.808,1169 3.683,1170 6.351,1171 3.709,1172 3.499,1173 3.522,1174 3.42,1175 3.317,1176 4.955,1177 3.329,1178 3.224,1179 3.277,1180 3.082,1181 3.016,1182 4.712,1183 3.026,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.92,1189 2.715,1190 2.755,1191 2.806,1192 2.617,1193 2.528,1194 3.674,1195 2.546,1196 2.49,1197 2.588,1198 2.27,1199 2.291,1200 3.58,1201 2.275,1202 2.387,1203 2.503,1204 2.138,1205 2.037,1206 3.338,1207 2.046,1208 0.226,1209 0.202,1210 0.308,1211 0.205,1212 0.15,1213 4.066,1214 0.203,1215 3.635,1216 0.133,1217 5.543,1218 0.419,1219 3.696,1220 0.149,1221 2.701,1222 3.652,1223 2.397,1224 7.543,1225 2.689,1226 1.949,1227 1.922,1228 2.073,1229 2.038,1230 1.274,1231 2.051,1232 1.62,1233 1.559,1234 1.809,1235 1.836,1236 1.043,1237 1.829,1238 1.369,1239 1.334,1240 1.555,1241 1.606,1242 0.691,1243 1.579,1244 1.29,1245 1.226,1246 1.473,1247 1.525,1248 0.487,1249 1.513,1250 1.037,1251 0.976,1252 1.293,1253 1.289,1254 0.311,1255 1.298,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.608,1263 0.561,1264 0.911,1265 0.943,1266 0.032,1267 0.936,1268 0.294,1269 0.181,1270 0.783,1271 0.68,1273 0.738,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.443,1280 7.757,1281 6.26,1282 9.283,1289 8.654,1290 1.893,1300 19.633,1301 48.171,1302 108.419,1303 131.58,1304 135.58,1305 139.58,1306 139.58,1307 24.303,1308 5.846,1309 55.12,1310 55.12,1311 11,1312 11.471,1313 3.7,1314 2.907,1315 28.742,1316 54,1317 44,1318 0.263,1319 124.701,1320 210.68,1321 296.03,1322 2178,1324 12.088,1325 0.711,1326 0.554,1327 12.088,1328 9.413,1329 8.237,1330 0.458,1331 0.305,1332 5.418,1333 7.911,1334 5.302,1335 4.406,1336 8.237,1337 5.492,1338 7.244,1339 0.315,1340 0.171,1341 7.244,1342 3.938,1343 5.229,1344 0.201,1345 0.1,1346 5.229,1347 2.596,1348 4.193,1349 0.135,1350 0.054,1351 4.193,1352 1.676,1353 2.849,1354 0.089,1355 0.033,1356 2.849,1357 1.04,1358 0.42,1359 51.69,1360 0.288,1361 17.724,1362 0.696,1363 82,1364 261.175,1365 89.953,1366 252.728,1367 330.82,1368 234,1369 90,1370 228.596,1371 96.682,1372 232.847,1373 327.76,1374 217,1375 5.824} {0 CHEMBL556044,1 1.827,2 11.536,3 4.316,4 18.624,5 109.075,6 8.908,7 0.414,8 3.989,9 4.079,10 3.826,11 3.596,12 5.094,13 3.536,14 4.536,15 4.678,16 4.118,17 3.98,18 5.895,19 3.886,20 4.847,21 5.046,22 4.256,23 4.139,24 5.966,25 3.998,26 4.9,27 5.118,28 4.124,29 4.079,30 5.983,31 3.932,32 4.884,33 5.111,34 4.191,35 4.046,36 6.033,37 3.912,38 4.857,39 5.076,40 4.114,41 4.038,42 6.033,43 3.909,44 4.83,45 5.042,46 3.962,47 4.025,48 5.99,49 3.897,50 4.765,51 4.97,52 3.953,53 3.999,54 5.9,55 3.879,56 0.145,57 0.69,58 10.636,59 5.084,60 26.757,61 5.745,62 0.482,63 1.084,64 18.964,65 8.682,66 84.875,67 10.427,68 0.613,69 1.352,70 41.385,71 13,72 94.302,73 15.115,74 0.744,75 1.392,76 42.475,77 12.841,78 121.925,79 14.88,80 0.851,81 1.386,82 42.296,83 12.362,84 126.177,85 14.563,86 0.796,87 1.35,88 39.865,89 12.281,90 119.869,91 14.551,92 0.767,93 1.295,94 36.808,95 11.809,96 123.569,97 13.927,98 0.575,99 1.218,100 33.767,101 11.214,102 90.843,103 13.384,104 43,105 39,106 0.309,107 0.633,108 0.787,109 0.888,110 0.908,111 0.908,112 3.374,113 1.148,114 -4.01,115 -3.96,116 -3.76,118 38,120 5,121 1,124 1,140 5,141 1,142 3,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 3,175 3,177 2,180 10,181 1,186 7,191 5,194 11,195 1,198 6,203 4,206 6,207 1,210 8,213 1,215 4,218 6,219 1,222 8,227 3,229 8,230 1,233 2,234 6,239 2,242 9,243 1,247 6,252 1,253 1,255 10,256 1,259 4,260 1,262 1,263 1,264 1,267 8,268 1,270 1472,271 18.198,272 18.198,273 18.198,274 18.198,275 18.198,276 16.172,277 12.785,278 10.981,279 18.664,280 14.284,281 14.284,282 14.284,283 14.284,284 14.284,285 11.262,286 7.217,287 5.224,288 15.185,289 3.816,290 1.907,291 0.992,292 0.4,293 0.28,294 0.28,295 4.036,297 2,299 1,300 1,301 654,302 4.583,306 226.005,313 1.717,314 44.585,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 61.667,326 323,327 4.851,328 4.685,329 7.298,330 4.302,331 3.386,332 4.706,333 2.341,334 12.433,335 3.074,336 4.106,337 3.596,338 6.134,339 3.821,340 2.829,341 3.714,343 9.022,344 2.805,345 4.064,346 3.276,347 5.895,348 3.569,349 2.697,350 3.547,352 8.044,353 2.281,354 3.55,355 3.066,356 4.848,357 3.24,358 2.235,359 2.71,361 5.185,362 2.222,363 3.222,364 2.154,365 4.659,366 2.905,367 1.929,368 2.406,370 4.992,371 1.879,372 3.095,373 1.99,374 4.486,375 2.604,376 1.643,377 2.312,379 4.593,380 1.557,381 2.819,382 1.802,383 4.042,384 2.533,385 1.549,386 1.947,388 3.515,389 1.476,390 2.712,391 1.668,392 3.657,393 2.305,394 1.414,395 1.737,397 3.206,398 1.196,399 2.5,400 1.277,401 3.523,402 2.155,403 1.18,404 1.5,406 2.694,407 1.147,408 2.472,409 1.126,410 3.305,411 1.956,412 1,413 1.456,415 2.136,416 0.953,417 1.919,418 1,419 3.247,420 1.812,421 0.831,422 0.871,424 1.796,425 0.809,426 1.471,427 0.809,428 2.902,429 1.299,430 0.334,431 0.362,433 0.764,434 0.317,435 1.367,436 0.639,437 2.704,438 0.827,439 0.087,440 0.105,442 0.191,443 0.052,444 1,445 0.398,446 2.375,447 0.717,448 -0.277,449 -0.295,451 -0.616,452 -0.272,453 0.886,454 0.153,455 2.3,456 0.228,457 -0.645,458 -0.832,460 -1.702,461 -0.437,462 13.895,463 0.496,464 0.793,465 0.028,466 33.25,467 1.188,468 16.5,469 0.589,470 16.75,471 0.598,472 26.473,473 0.945,474 31.705,475 0.634,476 25.369,477 0.906,478 6.097,479 0.218,480 7.195,481 0.257,482 0.199,483 0.06,484 0.216,487 0.587,488 1.312,489 0.666,490 1.115,491 0.674,492 0.935,493 0.495,494 1.165,495 0.723,496 0.974,497 0.45,498 1.03,499 0.833,500 1.122,501 0.902,502 1.044,503 0.806,504 1.006,505 1.051,506 1.071,507 0.865,508 0.942,509 1.091,510 1.007,511 0.822,512 0.944,513 0.719,514 0.897,515 0.892,516 0.919,517 0.813,518 1.006,519 0.828,520 1.023,521 0.877,522 0.957,523 1.023,524 0.904,525 0.903,526 0.911,527 1.113,528 0.965,529 0.963,530 1.039,531 0.914,532 0.991,533 0.989,534 1.014,535 6.5,536 0.223,537 3.778,538 1.625,539 1.204,540 1.007,541 0.549,542 0.372,543 0.353,544 0.274,545 9197,546 36072,547 1.928,548 44,549 8,550 7,552 2,553 2,554 2,555 1,558 1.714,559 1.778,560 3.474,561 0.318,563 1,567 91.375,568 1.827,569 3.737,570 4.652,571 5.244,572 5.364,573 5.364,574 2.931,575 3.95,576 4.774,577 3.673,578 1388.55,579 8.324,580 19178.2,582 1,584 1,585 282.193,586 1.607,587 4.711,588 0.224,589 0.009,590 0.097,591 0.042,592 0.035,593 0.029,594 0.016,595 0.011,596 0.01,597 0.009,598 0.482,599 0.33,600 0.88,601 1.678,602 142.256,603 0.021,604 -0.072,605 0.094,606 -0.035,607 -0.094,608 0.031,609 0.225,610 -0.034,611 0.02,612 -0.014,613 0.268,614 -0.077,615 -0.028,616 -0.114,617 0.056,618 -0.007,619 -0.002,620 0.005,621 -0.14,622 -0.075,623 0.006,624 0.024,625 -0.132,626 -0.031,627 0.055,628 0.07,629 0.132,630 0.059,631 0.004,632 0.054,633 0.05,634 -0.003,635 0.051,636 -0.022,637 0.033,638 0.035,639 -0.1,640 0.087,641 -0.078,642 0.038,643 -0.109,644 0.006,645 -0.116,646 -0.052,647 -0.077,648 -0.046,649 -0.112,650 -0.03,651 4.657,652 5.589,653 0.429,654 29.327,655 1.019,656 1.124,657 2.783,658 7.743,659 0.691,660 3.401,661 3.689,662 3.829,663 3.932,664 4.127,665 4.111,666 4.078,667 4.007,668 4.078,669 4.111,670 6.981,671 0.651,672 445.4,673 3.401,674 4.92,675 5.72,676 6.567,677 7.393,678 8.245,679 9.084,680 9.94,681 10.786,682 11.646,683 4,685 1,693 1,699 7,700 1,704 4,706 12,723 2,724 50,726 15,727 1,728 29,730 51,731 19,733 11,734 3,735 3,739 2,740 2,741 2,751 5,753 12,754 7,755 1,756 3,760 1,761 3,765 1,769 1,772 22,773 6,774 2,775 9,776 3,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 2,840 28,844 1,845 1,846 6,847 1,850 1,861 2,862 8,864 1,865 3,869 15.75,870 8.519,871 6.264,872 2.998,874 1.775,875 1.269,876 0.926,877 8.864,878 8.372,879 3.664,880 4.22,881 4.595,882 4.994,883 5.478,884 5.499,885 5.572,886 5.31,887 5.558,888 5.876,889 0.875,890 39,891 10.62,893 4.706,894 8.154,895 19.371,897 15.736,899 2.654,900 74.306,903 1,904 235.422,905 98.709,906 33.191,907 78.297,908 112.141,910 5.807,911 92.902,912 425.861,913 33.191,915 14.778,916 69.594,917 153.379,918 29.832,920 211.88,921 78.297,922 235.422,923 126.092,924 112.141,925 84.105,927 223.651,928 123.912,931 49.278,932 60.029,933 100.89,935 235.422,936 145.332,937 177.007,939 5.807,940 235.422,941 27.426,942 65.476,943 16.405,944 207.224,945 235.422,946 145.332,947 177.007,949 0.577,950 0.311,951 0.143,952 0.081,953 15,954 8,955 0.216,956 11,958 1,959 3.916,960 218.885,962 12,963 132.606,967 1,968 22.792,969 10.889,970 7.458,972 145.332,973 11.253,974 4.11,978 1.438,980 59.088,981 557.76,982 38,986 -3.74,987 35.786,991 -0.807,994 50.956,995 56.209,996 0.324,997 0.662,998 0.824,999 0.929,1000 0.95,1001 0.95,1002 4.883,1003 1.414,1004 5.727,1005 3.515,1006 4.369,1007 4.905,1008 2.258,1009 6.521,1010 4.248,1011 6.099,1012 1.18,1013 7.294,1014 3.206,1015 4.111,1016 4.977,1017 2.243,1018 7.727,1019 3.836,1020 7.432,1021 1,1022 8.985,1023 2.694,1024 5.999,1025 7.157,1026 3.628,1027 10.707,1028 5.744,1029 8.812,1030 0.831,1031 10.755,1032 2.136,1033 6.567,1034 8.066,1035 4.112,1036 12.776,1037 6.143,1038 10.232,1039 0.334,1040 12.579,1041 1.796,1042 7.989,1043 9.815,1044 5.201,1045 15.393,1046 7.567,1047 11.682,1048 0.087,1049 14.441,1050 0.764,1051 8.914,1052 11.075,1053 5.889,1054 17.753,1055 8.337,1056 13.157,1057 -0.277,1058 16.33,1059 0.191,1060 10.176,1061 12.683,1062 6.849,1063 20.286,1064 9.567,1065 3.386,1066 -0.645,1067 18.24,1068 -0.616,1069 11.256,1070 14.096,1071 7.625,1072 22.746,1073 10.514,1074 2.829,1075 12.433,1076 20.165,1077 -1.702,1078 12.467,1079 15.657,1080 8.526,1081 25.262,1082 11.663,1083 2.697,1084 9.022,1085 22.102,1086 4.706,1087 13.616,1088 17.139,1089 9.342,1090 27.758,1091 12.694,1092 2.235,1093 8.044,1094 24.048,1095 3.714,1096 14.815,1097 18.684,1098 10.216,1099 30.272,1100 13.812,1101 1.929,1102 5.185,1103 26.002,1104 3.547,1105 15.995,1106 20.199,1107 11.051,1108 32.782,1109 14.882,1110 1.643,1111 4.992,1112 27.961,1113 2.71,1114 17.196,1115 21.742,1116 11.912,1117 35.299,1118 15.991,1119 1.549,1120 4.593,1121 29.926,1122 2.406,1123 18.391,1124 23.273,1125 12.755,1126 37.814,1127 17.081,1128 9374,1129 18791,1130 18.375,1131 34.568,1132 42.227,1133 44.264,1134 43.471,1135 42.491,1136 42.231,1137 54.746,1138 4.682,1139 117.14,1140 39.535,1141 5.807,1142 6.685,1143 7.1,1144 5.361,1145 5.386,1146 7.706,1147 3.925,1148 19.69,1149 5.074,1150 17.145,1151 1.456,1152 1.526,1153 1.499,1154 1.465,1155 1.456,1156 1.888,1157 0.161,1158 4.039,1159 1.363,1160 4.083,1161 4.067,1162 4.738,1163 4.072,1164 7.717,1165 3.987,1166 3.913,1167 3.944,1168 4.056,1169 3.83,1170 7.474,1171 3.825,1172 3.734,1173 3.786,1174 3.849,1175 3.6,1176 6.999,1177 3.589,1178 3.659,1179 3.663,1180 3.607,1181 3.589,1182 6.351,1183 3.518,1184 3.501,1185 3.524,1186 3.403,1187 3.343,1188 5.032,1189 3.333,1190 3.253,1191 3.286,1192 3.399,1193 3.055,1194 4.894,1195 3.056,1196 2.933,1197 2.998,1198 3.15,1199 2.794,1200 4.49,1201 2.766,1202 2.878,1203 2.921,1204 3.078,1205 2.674,1206 4.221,1207 2.675,1208 0.167,1209 0.162,1210 0.252,1211 0.148,1212 0.117,1213 4.851,1214 0.162,1215 4.685,1216 0.081,1217 7.298,1218 0.429,1219 4.302,1220 0.106,1221 3.386,1222 4.706,1223 2.341,1224 12.433,1225 3.074,1226 1.959,1227 1.969,1228 2.067,1229 2.05,1230 1.419,1231 2.078,1232 1.893,1233 1.861,1234 1.939,1235 1.975,1236 1.222,1237 2.005,1238 1.728,1239 1.675,1240 1.909,1241 1.894,1242 1.138,1243 1.911,1244 1.546,1245 1.529,1246 1.739,1247 1.73,1248 0.891,1249 1.743,1250 1.413,1251 1.405,1252 1.549,1253 1.611,1254 0.781,1255 1.629,1256 1.183,1257 1.15,1258 1.268,1259 1.396,1260 0.532,1261 1.414,1262 0.872,1263 0.824,1264 1.119,1265 1.179,1266 0.37,1267 1.192,1268 0.865,1269 0.806,1270 1.097,1271 1.015,1272 0.19,1273 1.057,1274 4.078,1276 5.371,1278 6.847,1280 8.407,1282 10.014,1285 11.775,1289 8.716,1290 3.22,1291 2.628,1294 -0.073,1300 32.539,1301 91.375,1302 186.826,1303 232.583,1304 262.193,1305 268.193,1306 268.193,1307 98.768,1308 6.597,1309 96.36,1310 104.74,1311 12,1312 12.2,1313 4,1314 3.322,1315 61.718,1316 112,1317 128,1318 0.256,1319 215.117,1320 378.35,1321 516.645,1322 5458,1323 4,1324 20.571,1325 0.735,1326 0.624,1327 21.821,1328 17.473,1329 13.293,1330 0.458,1331 0.383,1332 8.955,1333 11.54,1334 8.597,1335 7.116,1336 14.691,1337 11.097,1338 12.182,1339 0.312,1340 0.23,1341 14.247,1342 8.986,1343 9.036,1344 0.201,1345 0.144,1346 11.028,1347 6.48,1348 6.376,1349 0.128,1350 0.085,1351 7.653,1352 4.256,1353 5.122,1354 0.084,1355 0.054,1356 6.636,1357 3.272,1358 0.404,1359 97.399,1360 0.233,1361 27.05,1362 0.693,1363 136,1364 472.601,1365 215.43,1366 532.375,1367 672.76,1368 484,1369 152,1370 392.045,1371 232.612,1372 451.193,1373 646.65,1374 421,1375 7.398} {0 CHEMBL556173,1 1.554,2 8.647,3 2.051,4 4.208,5 64.197,6 7.429,7 0.611,8 3.525,9 3.638,10 3.077,11 3.052,12 4.699,13 3.036,14 4.009,15 4.176,16 3.361,17 3.406,18 5.235,19 3.354,20 4.232,21 4.453,22 3.204,23 3.473,24 5.219,25 3.362,26 4.205,27 4.441,28 3.11,29 3.415,30 5.176,31 3.286,32 4.142,33 4.397,34 2.954,35 3.279,36 5.114,37 3.139,38 3.896,39 4.167,40 2.809,41 2.986,42 4.914,43 2.877,44 3.621,45 3.825,46 2.67,47 2.712,48 4.88,49 2.665,50 3.527,51 3.764,52 2.38,53 2.554,54 4.625,55 2.469,56 0.032,57 0.44,58 6.222,59 2.759,60 8.125,61 3.561,62 0.193,63 0.686,64 11.09,65 4.418,66 33.741,67 5.996,68 0.201,69 0.765,70 15.341,71 5.735,72 35.494,73 7.853,74 0.173,75 0.73,76 15.144,77 5.758,78 32.741,79 8.008,80 0.18,81 0.664,82 14.667,83 5.285,84 33.533,85 7.472,86 0.117,87 0.514,88 11.587,89 3.906,90 19.102,91 5.698,92 0.138,93 0.375,94 8.564,95 2.722,96 25.469,97 3.546,98 0.154,99 0.344,100 8.052,101 2.297,102 24.618,103 3.173,104 9,105 23,106 0.295,107 0.664,108 0.806,109 0.855,110 0.855,111 0.855,112 2.905,113 0.924,114 -3.34,115 -3.32,116 -3.18,118 41.9,120 3,140 4,141 1,142 1,143 1,149 1,154 1,156 1,163 1,167 1,168 7,169 1,171 1,172 3,175 1,177 1,180 8,181 1,186 3,191 1,194 7,195 1,198 4,203 1,206 4,207 1,210 4,215 1,218 2,219 2,222 4,227 2,230 2,234 4,239 2,247 1,248 1,258 1,259 1,262 1,270 295,271 11.483,272 11.483,273 11.483,274 11.483,275 11.483,276 9.994,277 13.105,278 7.091,279 11.667,280 8.904,281 8.904,282 8.904,283 8.904,284 8.904,285 6.723,286 9.834,287 3.394,288 9.196,289 3.4,290 1.457,291 0.71,292 0.452,293 0.452,294 0.452,295 3.561,299 1,300 1,301 305,302 2.739,305 51.131,306 57.394,313 1.668,314 14,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 37,326 147,327 4.253,328 3.596,329 6.146,330 3.826,331 2.877,332 3.903,333 2.341,334 9.062,335 2.742,336 3.809,337 3.004,338 5.329,339 3.436,340 2.454,341 3.314,343 6.925,344 2.399,345 3.543,346 2.646,347 4.652,348 3.203,349 2.199,350 2.71,352 5.161,353 2.18,354 3.228,355 1.845,356 4.459,357 2.749,358 1.79,359 2.523,361 4.545,362 1.713,363 2.5,364 1.373,365 3.414,366 2.11,367 1.122,368 1.5,370 2.385,371 1.102,372 2.407,373 1,374 3.362,375 2,376 1,377 1.37,379 2.275,380 1,381 2.184,382 0.951,383 3.182,384 1.788,385 0.845,386 1.103,388 1.95,389 0.794,390 2.118,391 0.618,392 3,393 1.553,394 0.618,395 0.927,397 1.372,398 0.577,399 1.22,400 0.594,401 2.428,402 0.961,403 -0.034,404 -0.04,406 -0.079,407 -0.034,408 0.713,409 0.191,410 2.101,411 0.364,412 -0.627,413 -0.758,415 -1.426,416 -0.609,417 0.5,418 -0.377,419 2,421 -1,422 -1.301,424 -2,425 -0.968,426 0.383,427 -0.928,428 1.472,429 -0.009,430 -1,431 -1.5,433 -3,434 -1,435 0.045,436 -1,437 1.022,438 -0.327,439 -1.281,440 -1.58,442 -3.02,443 -1.23,444 -0.118,445 -1.36,446 1,447 -0.527,448 -1.495,449 -1.887,451 -3.715,452 -1.459,453 -0.292,454 -1.618,455 1,456 -0.705,457 -1.618,458 -2.199,460 -4.372,461 -1.489,462 7.967,463 0.469,464 0.332,465 0.02,466 22.25,467 1.309,468 11.5,469 0.676,470 10.75,471 0.632,472 10.349,473 0.609,474 18.433,475 0.595,476 13.301,477 0.782,478 4.489,479 0.264,480 3.765,481 0.221,482 0.084,484 0.238,487 0.804,488 1.364,489 0.8,490 1.099,491 0.701,492 0.975,493 0.531,494 1.112,495 0.916,496 1.078,497 0.39,498 1.057,499 0.935,500 0.971,501 1.09,502 1.02,503 0.937,504 1.075,505 0.777,506 1.003,507 1.015,508 1.057,509 0.808,510 1.082,511 0.818,512 0.983,513 1,514 1.022,515 0.866,516 1.046,517 0.714,518 0.92,519 0.793,520 0.939,521 0.585,522 0.879,523 1.666,524 1.07,525 1.14,526 1.055,527 1.677,528 1.017,529 1.634,530 0.967,531 1.275,532 0.936,533 1.607,534 1.017,535 3,536 0.046,537 1.556,538 0.403,539 0.352,540 0.431,541 0.248,542 0.1,543 0.072,544 0.065,545 2565,546 8196,547 2.028,548 45.2,549 4,550 4,551 1,552 2,553 1,554 2,558 1.56,559 1.925,560 3.118,561 -0.256,563 1,564 1,565 1,567 48.171,568 1.554,569 3.497,570 4.245,571 4.503,572 4.503,573 4.503,574 2.542,575 3.499,576 4.053,577 3.282,578 446.384,579 6.812,580 4189.42,582 1,584 1,585 153.58,586 1.261,587 4.03,588 0.167,589 0.008,590 0.068,591 0.021,592 0.021,593 0.031,594 0.021,595 0.01,596 0.01,597 0.011,598 0.366,599 0.67,600 1,601 1.565,602 72.389,603 -0.072,604 -0.203,605 0.02,606 -0.041,607 -0.06,608 -0.007,609 0.191,610 0.009,611 -0.049,612 -0.072,613 0.223,614 -0.097,615 -0.136,616 0.002,617 -0.16,618 -0.022,619 -0.129,620 -0.084,621 -0.06,622 -0.068,623 -0.081,624 -0.051,625 -0.086,626 -0.069,627 -0.053,628 -0.077,629 -0.037,630 -0.037,631 -0.085,632 -0.037,633 0.046,634 -0.005,635 0.195,636 0.016,637 0.127,638 0.122,639 -0.23,640 -0.144,641 -0.113,642 -0.118,643 -0.13,644 -0.097,645 -0.304,646 -0.019,647 -0.236,648 -0.044,649 -0.274,650 -0.11,651 2.403,652 3.389,653 0.647,654 14.138,655 1.005,656 1.126,657 2.106,658 4.437,659 0.661,660 2.944,661 3.178,662 3.332,663 3.497,664 3.555,665 3.611,666 3.611,667 3.555,668 3.555,669 3.367,670 5.316,671 0.633,672 230.29,673 2.944,674 4.419,675 5.209,676 6.033,677 6.845,678 7.676,679 8.497,680 9.332,681 10.16,682 10.997,683 6.5,691 1,693 1,699 7,700 1,704 2,705 1,706 11,724 31,726 12,727 1,728 18,730 32,731 13,733 9,734 2,735 4,739 2,740 2,751 3,753 10,754 3,756 1,761 1,765 1,769 1,772 14,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,802 1,818 1,830 1,832 2,840 17,845 1,846 3,862 6.5,864 1,865 1,869 8.833,870 5.35,871 3.861,872 1.825,874 2.037,875 1.347,876 0.929,877 3.809,878 7.912,879 3.239,880 3.755,881 4.229,882 4.749,883 5.086,884 5.348,885 5.657,886 5.871,887 6.079,888 6.005,889 0.833,890 19,891 6.234,893 2.537,894 7.941,895 11.794,897 9.262,899 2.441,900 41.5,901 0.001,904 153.024,905 79.074,906 18.685,908 67.828,911 79.074,912 220.853,913 18.685,915 7.604,916 46.952,917 117.684,918 16.889,919 11.771,920 117.711,922 153.024,923 97.759,924 67.828,927 153.024,928 67.828,931 27.169,932 53.805,933 16.786,935 153.024,936 86.513,937 79.074,940 153.024,941 14.456,942 66.518,944 84.614,945 153.024,946 86.513,947 79.074,949 0.56,950 0.297,951 0.15,952 0.071,953 10,954 4,955 0.156,956 5,958 1,959 3.085,960 106.421,962 11,963 65.487,968 11.711,969 5.529,970 3.346,972 84.614,973 13.448,974 3.988,978 2.222,979 1.932,980 42.683,981 318.611,982 24.5,987 10.389,991 -0.736,994 31.16,995 34.907,996 0.314,997 0.706,998 0.857,999 0.909,1000 0.909,1001 0.909,1002 4.404,1003 0.618,1004 5.142,1005 1.95,1006 3.85,1007 4.437,1008 2.258,1009 5.826,1010 3.789,1011 5.569,1012 -0.034,1013 6.619,1014 1.372,1015 3.219,1016 3.98,1017 2.243,1018 6.503,1019 3.115,1020 6.828,1021 -0.627,1022 8.195,1023 -0.079,1024 5.313,1025 6.515,1026 3.628,1027 9.521,1028 5.185,1029 8.125,1030 -1,1031 9.833,1032 -1.426,1033 5.525,1034 6.92,1035 4.112,1036 11.085,1037 5.331,1038 9.451,1039 -1,1040 11.512,1041 -2,1042 7.038,1043 8.855,1044 5.201,1045 13.576,1046 6.831,1047 10.799,1048 -1.281,1049 13.221,1050 -3,1051 7.65,1052 9.676,1053 5.889,1054 15.502,1055 7.366,1056 12.163,1057 -1.495,1058 14.952,1059 -3.02,1060 8.909,1061 11.339,1062 6.849,1063 17.812,1064 8.609,1065 2.877,1066 -1.618,1067 16.698,1068 -3.715,1069 9.727,1070 12.386,1071 7.625,1072 19.892,1073 9.348,1074 2.454,1075 9.062,1076 18.457,1077 -4.372,1078 10.868,1079 13.909,1080 8.526,1081 22.135,1082 10.467,1083 2.199,1084 6.925,1085 20.227,1086 3.903,1087 11.796,1088 15.086,1089 9.342,1090 24.282,1091 11.319,1092 1.79,1093 5.161,1094 22.004,1095 3.314,1096 12.884,1097 16.535,1098 10.216,1099 26.5,1100 12.375,1101 1.122,1102 4.545,1103 23.787,1104 2.71,1105 13.869,1106 17.787,1107 11.051,1108 28.677,1109 13.291,1110 1,1111 2.385,1112 25.576,1113 2.523,1114 14.933,1115 19.195,1116 11.912,1117 30.885,1118 14.317,1119 0.845,1120 2.275,1121 27.368,1122 1.5,1123 15.95,1124 20.491,1125 12.755,1126 33.077,1127 15.269,1128 2612,1129 4728,1130 12.019,1131 20.489,1132 26.306,1133 26.233,1134 26.199,1135 25.777,1136 25.81,1137 34.701,1138 4.682,1139 67.351,1140 25.012,1141 5.105,1142 5.596,1143 5.743,1144 4.862,1145 4.877,1146 6.903,1147 3.925,1148 15.16,1149 4.742,1150 7.298,1151 1.461,1152 1.457,1153 1.455,1154 1.432,1155 1.434,1156 1.928,1157 0.26,1158 3.742,1159 1.39,1160 4.024,1161 4.07,1162 3.972,1163 3.918,1164 7.474,1165 3.922,1166 3.772,1167 3.825,1168 3.691,1169 3.608,1170 6.351,1171 3.624,1172 3.602,1173 3.636,1174 3.509,1175 3.435,1176 4.991,1177 3.441,1178 3.187,1179 3.218,1180 3.066,1181 2.962,1182 4.653,1183 2.982,1184 2.854,1185 2.925,1186 2.687,1187 2.735,1188 3.952,1189 2.715,1190 2.75,1191 2.806,1192 2.617,1193 2.529,1194 3.674,1195 2.547,1196 2.49,1197 2.589,1198 2.27,1199 2.291,1200 3.578,1201 2.276,1202 2.387,1203 2.497,1204 2.139,1205 2.054,1206 3.341,1207 2.058,1208 0.236,1209 0.2,1210 0.341,1211 0.213,1212 0.16,1213 4.253,1214 0.217,1215 3.596,1216 0.13,1217 6.146,1218 0.503,1219 3.826,1220 0.152,1221 2.877,1222 3.903,1223 2.341,1224 9.062,1225 2.742,1226 1.945,1227 1.915,1228 2.067,1229 2.043,1230 1.299,1231 2.051,1232 1.628,1233 1.58,1234 1.839,1235 1.824,1236 1.04,1237 1.827,1238 1.385,1239 1.333,1240 1.556,1241 1.591,1242 0.661,1243 1.58,1244 1.271,1245 1.204,1246 1.435,1247 1.522,1248 0.478,1249 1.502,1250 1.044,1251 0.997,1252 1.301,1253 1.339,1254 0.31,1255 1.323,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.607,1263 0.557,1264 0.917,1265 0.934,1267 0.941,1268 0.307,1269 0.207,1270 0.74,1271 0.641,1273 0.688,1274 3.611,1276 4.86,1277 2.398,1278 6.282,1279 4.443,1280 7.787,1281 6.293,1282 9.339,1289 8.55,1290 1.708,1300 19.633,1301 48.171,1302 108.419,1303 131.58,1304 139.58,1305 139.58,1306 139.58,1307 24.094,1308 5.875,1309 55.12,1310 55.12,1311 11,1312 11.567,1313 3.7,1314 2.907,1315 28.758,1316 55,1317 47,1318 0.268,1319 124.701,1320 210.68,1321 296.03,1322 2193,1324 12.088,1325 0.711,1326 0.554,1327 12.088,1328 9.413,1329 8.254,1330 0.459,1331 0.308,1332 5.475,1333 7.933,1334 5.372,1335 4.473,1336 8.254,1337 5.546,1338 7.15,1339 0.311,1340 0.169,1341 7.15,1342 3.884,1343 5.352,1344 0.198,1345 0.096,1346 5.352,1347 2.595,1348 4.192,1349 0.131,1350 0.053,1351 4.192,1352 1.69,1353 2.817,1354 0.083,1355 0.029,1356 2.817,1357 0.999,1358 0.426,1359 51.754,1360 0.288,1361 17.69,1362 0.711,1363 82,1364 261.175,1365 90.286,1366 252.539,1367 333.54,1368 234,1369 91,1370 235.3,1371 98.015,1372 238.078,1373 337.44,1374 223,1375 6.921} {0 CHEMBL557333,1 1.829,2 7.737,3 2.37,4 5.619,5 68.804,6 9.882,7 0.714,8 3.501,9 3.571,10 3.292,11 3.063,12 4.789,13 3.093,14 3.968,15 4.072,16 3.69,17 3.448,18 5.353,19 3.466,20 4.127,21 4.244,22 3.742,23 3.508,24 5.417,25 3.481,26 4.162,27 4.319,28 3.593,29 3.405,30 5.414,31 3.364,32 3.91,33 4.035,34 3.575,35 3.246,36 5.243,37 3.23,38 3.864,39 3.998,40 3.562,41 3.105,42 5.438,43 3.087,44 3.462,45 3.63,46 2.707,47 2.796,48 4.591,49 2.723,50 3.45,51 3.658,52 2.488,53 2.546,54 4.69,55 2.479,56 0.146,57 0.389,58 2.812,59 2.263,60 12.79,61 2.062,62 0.337,63 0.623,64 5.899,65 3.552,66 34.969,67 3.32,68 0.451,69 0.642,70 9.479,71 4.916,72 28.237,73 4.728,74 0.531,75 0.63,76 16.274,77 5.384,78 52.09,79 5.368,80 0.384,81 0.484,82 10.168,83 4.1,84 36.354,85 3.97,86 0.592,87 0.452,88 14.342,89 3.824,90 56.166,91 3.842,92 0.191,93 0.349,94 7.12,95 2.635,96 16.497,97 2.949,98 0.296,99 0.345,100 6.233,101 2.365,102 29.007,103 2.62,104 11,105 30,106 0.347,107 0.762,108 0.867,109 0.899,110 0.899,111 0.899,112 3.011,113 0.847,114 -3,115 -3,116 -2.89,118 46.4,124 1,140 3,141 2,142 1,143 1,149 1,150 2,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 3,175 1,177 1,180 5,181 2,185 1,186 5,191 2,194 3,195 2,198 5,203 2,206 2,209 1,210 2,211 1,218 1,219 1,221 1,222 5,225 1,227 1,234 2,235 1,246 1,247 2,250 1,260 1,270 362,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 10.776,277 10.915,278 7.406,279 12.99,280 10.357,281 10.357,282 10.357,283 10.357,284 10.357,285 7.434,286 14.222,287 3.525,288 10.837,289 2.978,290 0.795,291 0.241,292 0.071,293 0.071,294 0.071,295 3.685,297 1,299 1,300 1,301 316,302 2.646,305 86.007,306 46.978,309 71.109,313 1.435,314 24.177,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 42.333,326 147,327 4.638,328 3.589,329 6.704,330 4.168,331 3.198,332 4.594,333 1.437,334 10.835,335 3.093,336 4.05,337 3.408,338 5.922,339 3.681,340 2.696,341 3.55,342 0.522,343 8.225,344 2.643,345 3.904,346 2.708,347 5.583,348 3.443,349 2.51,350 3.427,352 7.379,353 2.339,354 3.457,355 2.362,356 5.231,357 2.997,358 2.035,359 2.817,361 6.218,362 1.933,363 3.125,364 1.977,365 4.78,366 2.65,367 1.684,368 2.387,370 4.99,371 1.599,372 2.766,373 1.784,374 3.803,375 2.244,376 1.249,377 1.785,379 2.928,380 1.225,381 2.573,382 1.253,383 3.591,384 2.066,385 1.134,386 1.598,388 2.58,389 1.047,390 2.175,391 1.102,392 3.368,393 1.669,394 0.761,395 1.04,397 1.912,398 0.63,399 2.118,400 0.618,401 3,402 1.554,403 0.618,404 0.927,406 1.372,407 0.577,408 1.283,409 0.482,410 2.773,411 0.908,412 -0.019,413 -0.023,415 -0.049,416 -0.016,417 0.796,418 0.225,419 2.379,420 0.366,421 -0.564,422 -0.713,424 -1.469,425 -0.455,426 0.649,427 -0.236,428 2.241,429 0.147,430 -0.819,431 -1.14,433 -2,434 -0.754,435 0.446,436 -0.698,437 2.087,438 -0.006,439 -1,440 -1.303,442 -2.496,443 -0.933,444 0.251,445 -0.904,446 1.666,447 -0.18,448 -1.065,449 -1.487,451 -2.869,452 -1,453 -0.118,454 -1.171,455 1.338,456 -0.586,457 -1.471,458 -1.828,460 -3.618,461 -1.303,462 9.014,463 0.474,464 0.524,465 0.028,466 26.5,467 1.395,468 13.5,469 0.711,470 13,471 0.684,472 11.926,473 0.628,474 19.786,475 0.707,476 17.315,477 0.911,478 5.482,479 0.289,480 3.666,481 0.193,482 0.153,484 0.377,487 0.831,488 1.282,489 0.524,490 0.885,491 0.725,492 0.766,493 0.766,494 0.895,495 0.637,496 0.76,497 0.46,498 0.752,499 0.927,500 1.029,501 0.912,502 1.063,503 0.747,504 1.093,505 1.232,506 0.962,507 1.329,508 1.099,509 1.161,510 1.086,511 1.224,512 1.043,513 1.142,514 0.964,515 1.096,516 0.914,517 0.743,518 0.963,519 1.515,520 1.228,521 0.719,522 1.065,523 0.767,524 1.214,525 1.258,526 1.329,527 0.69,528 1.365,529 0.893,530 0.92,531 0.767,532 0.857,533 1.459,534 1.134,535 4,536 0.04,537 2.222,538 1.674,539 0.808,540 0.816,541 0.33,542 0.101,543 0.099,544 0.055,545 3207,546 12215,547 2.081,548 32.1,550 5,551 1,552 2,553 1,558 1.603,559 1.932,560 2.969,561 -0.198,563 1,565 1,567 51.216,568 1.829,569 4.012,570 4.566,571 4.736,572 4.736,573 4.736,574 2.465,575 3.366,576 4.217,577 3.112,578 532.202,579 7.185,580 5122.94,581 1,582 1,584 1,585 134.606,586 1.462,587 4.171,588 0.19,589 0.01,590 0.074,591 0.062,592 0.035,593 0.037,594 0.017,595 0.009,596 0.012,597 0.009,598 0.457,599 0.67,600 1,601 0.868,602 81.64,603 -0.126,604 -0.217,605 -0.003,606 -0.044,607 -0.114,608 0.001,609 0.007,610 0.207,611 -0.001,612 0.094,613 0.159,614 0.053,615 -0.018,616 -0.09,617 -0.014,618 -0.102,619 -0.019,620 -0.161,621 -0.209,622 -0.06,623 -0.149,624 -0.073,625 -0.182,626 -0.054,627 -0.153,628 -0.142,629 0.035,630 0.055,631 -0.132,632 0.059,633 0.401,634 -0.033,636 -0.178,637 0.353,638 -0.073,639 -0.098,640 -0.254,641 -0.329,642 -0.364,643 -0.092,644 -0.338,645 0.02,646 0.085,647 -0.06,648 0.065,649 -0.252,650 -0.086,651 2.657,652 3.933,653 0.737,654 13.645,655 1.037,656 1.115,657 1.771,658 3.135,659 0.724,660 3.091,661 3.434,662 3.714,663 3.97,664 4.127,665 4.248,666 4.369,667 4.443,668 4.344,669 4.22,670 4.79,671 0.719,672 276.69,673 3.091,674 4.635,675 5.493,676 6.378,677 7.259,678 8.151,679 9.04,680 9.936,681 10.831,682 11.73,683 7.1,691 1,693 1,698 2,699 6,700 1,702 1,704 3,705 1,706 15,714 1,723 1,724 28,726 16,727 1,728 21,730 30,731 13,733 11,734 3,735 3,736 1,739 3,740 4,741 1,753 12,754 1,756 1,761 1,765 1,769 1,771 1,772 9,773 4,774 1,775 6,776 1,778 1,779 2,784 0.667,785 3,801 2,802 1,805 1,830 1,832 2,837 1,840 19,845 1,846 1,861 1,862 10.7,864 1,865 1,867 1,869 9.833,870 5.076,871 4.111,872 1.508,874 2.886,875 1.437,876 0.98,877 3.046,878 9.489,879 3.418,880 4.086,881 4.718,882 5.345,883 5.798,884 6.22,885 6.682,886 7.072,887 7.181,888 7.355,889 1,890 27,891 6.971,893 3.035,894 8.085,895 12.805,897 10.436,899 2.585,900 49.111,904 94.169,905 77.702,906 18.685,907 39.149,908 77.336,911 77.702,912 210.653,913 18.685,915 2.106,916 37.476,917 117.684,918 29.713,919 22.056,920 58.856,921 39.149,922 94.169,923 96.387,924 77.336,925 39.149,927 94.169,928 77.336,931 21.671,932 57.93,933 55.934,935 94.169,936 96.02,937 116.851,940 94.169,941 22.56,942 57.041,944 133.27,945 94.169,946 96.02,947 116.851,949 0.59,950 0.345,951 0.179,952 0.091,953 16,954 7,955 0.1,956 3,957 1,958 1.143,959 3.151,960 142.08,961 0.143,962 14,963 80.711,968 12.265,969 4.719,970 2.246,971 1.182,972 94.121,973 9.742,974 3.94,976 5.633,978 1.202,979 1.821,980 42.683,981 307.04,982 29.5,987 10.933,991 -0.99,994 29.044,995 31.23,996 0.38,997 0.835,998 0.95,999 0.985,1000 0.985,1001 0.985,1002 4.642,1003 0.761,1004 5.493,1005 2.58,1006 4.111,1007 4.771,1008 1.736,1009 6.319,1010 4.026,1011 5.882,1012 0.618,1013 7.066,1014 1.912,1015 3.761,1016 4.677,1018 7.235,1019 3.625,1020 7.209,1021 -0.019,1022 8.737,1023 1.372,1024 5.72,1025 7.067,1026 2.269,1027 10.339,1028 5.574,1029 8.576,1030 -0.564,1031 10.466,1032 -0.049,1033 6.196,1034 7.838,1036 12.086,1037 5.997,1038 9.975,1039 -0.819,1040 12.23,1041 -1.469,1042 7.633,1043 9.68,1044 2.925,1045 14.707,1046 7.426,1047 11.397,1048 -1,1049 14.019,1050 -2,1051 8.474,1052 10.852,1054 16.81,1055 8.218,1056 12.838,1057 -1.065,1058 15.826,1059 -2.496,1060 9.717,1061 12.486,1062 3.619,1063 19.269,1064 9.448,1065 3.198,1066 -1.471,1067 17.648,1068 -2.869,1069 10.724,1070 13.847,1072 21.529,1073 10.412,1074 2.696,1075 10.835,1076 19.481,1077 -3.618,1078 11.898,1079 15.404,1080 4.33,1081 23.933,1082 11.565,1083 2.51,1084 8.225,1085 21.323,1086 4.594,1087 12.98,1088 16.852,1090 26.261,1091 12.609,1092 2.035,1093 7.379,1094 23.174,1095 3.55,1096 14.132,1097 18.383,1098 5.047,1099 28.648,1100 13.735,1101 1.684,1102 6.218,1103 25.032,1104 3.427,1105 15.251,1106 19.871,1108 31.006,1109 14.818,1110 1.249,1111 4.99,1112 26.896,1113 2.817,1114 16.399,1115 21.394,1116 5.769,1117 33.388,1118 15.936,1119 1.134,1120 2.928,1121 28.764,1122 2.387,1123 17.536,1124 22.901,1126 35.759,1127 17.039,1128 3153,1129 6243,1130 13.929,1131 20.278,1132 32.326,1133 32.945,1134 32.535,1135 31.884,1136 31.771,1137 44.25,1138 3.916,1139 92.877,1140 30.171,1141 5.422,1142 5.589,1143 6.318,1144 5.217,1145 5.198,1146 7.594,1147 2.873,1148 17.891,1149 5.093,1150 8.916,1151 1.539,1152 1.569,1153 1.549,1154 1.518,1155 1.513,1156 2.107,1157 0.186,1158 4.423,1159 1.437,1160 4.125,1161 4.131,1162 4.177,1163 4.029,1164 7.475,1165 4.041,1166 3.883,1167 3.943,1168 3.829,1169 3.683,1170 6.351,1171 3.712,1172 3.523,1173 3.517,1174 3.612,1175 3.366,1176 5.179,1177 3.386,1178 3.14,1179 3.157,1180 3.26,1181 2.927,1182 4.937,1183 2.953,1184 2.913,1185 2.973,1186 2.973,1187 2.768,1188 4.526,1189 2.761,1190 2.718,1191 2.751,1192 2.644,1193 2.408,1194 4.281,1195 2.453,1196 2.47,1197 2.569,1198 2.595,1199 2.274,1200 3.666,1201 2.263,1202 2.265,1203 2.301,1204 2.262,1205 2.135,1206 3.587,1207 2.106,1208 0.221,1209 0.171,1210 0.319,1211 0.198,1212 0.152,1213 4.638,1214 0.219,1215 3.589,1216 0.068,1217 6.704,1218 0.516,1219 4.168,1220 0.147,1221 3.198,1222 4.594,1223 1.437,1224 10.835,1225 3.093,1226 1.928,1227 1.918,1228 1.994,1229 2.006,1230 1.148,1231 2.001,1232 1.653,1233 1.611,1234 1.787,1235 1.875,1236 0.991,1237 1.853,1238 1.324,1239 1.278,1240 1.49,1241 1.529,1242 0.499,1243 1.521,1244 1.217,1245 1.177,1246 1.314,1247 1.469,1248 0.348,1249 1.407,1250 1.146,1251 1.154,1252 1.201,1253 1.404,1254 0.191,1255 1.353,1256 0.818,1257 0.761,1258 1.104,1259 1.024,1260 0.175,1261 1.053,1262 0.512,1263 0.492,1264 0.774,1265 0.862,1267 0.846,1268 0.377,1269 0.299,1270 0.668,1271 0.66,1273 0.696,1274 3.761,1276 5.094,1277 3.045,1278 6.605,1279 5.352,1280 8.201,1281 7.402,1282 9.845,1285 6.23,1289 8.963,1290 0.454,1300 20.122,1301 51.216,1302 112.341,1303 127.851,1304 132.606,1305 132.606,1306 132.606,1307 29.298,1308 6.603,1309 68.26,1310 68.26,1311 16,1312 12.253,1313 4.087,1314 3.248,1315 27.804,1316 56,1317 44,1318 0.263,1319 126.709,1320 208.78,1321 300.93,1322 5367,1323 3.6,1324 13.405,1325 0.706,1326 0.551,1327 13.905,1328 10.463,1329 9.148,1330 0.436,1331 0.282,1332 5.477,1333 8.444,1334 5.36,1335 4.401,1336 9.437,1337 5.927,1338 8.482,1339 0.283,1340 0.149,1341 8.816,1342 4.468,1343 7.167,1344 0.179,1345 0.081,1346 7.616,1347 3.241,1348 5.782,1349 0.111,1350 0.041,1351 6.123,1352 2.145,1353 4.286,1354 0.07,1355 0.023,1356 4.645,1357 1.388,1358 0.399,1359 61.146,1360 0.268,1361 18.833,1362 0.757,1363 102,1364 367.114,1365 129.68,1366 378.142,1367 497.87,1368 350,1369 121,1370 339.732,1371 147.53,1372 350.602,1373 513.62,1374 328,1375 7.509} {0 CHEMBL557386,1 1.399,2 9.45,3 3.629,4 13.168,5 79.598,6 7.226,7 0.571,8 3.671,9 3.779,10 3.197,11 3.274,12 4.841,13 3.233,14 4.139,15 4.3,16 3.477,17 3.617,18 5.35,19 3.543,20 4.363,21 4.559,22 3.478,23 3.727,24 5.395,25 3.618,26 4.445,27 4.673,28 3.357,29 3.657,30 5.498,31 3.534,32 4.348,33 4.571,34 3.337,35 3.577,36 5.461,37 3.469,38 4.268,39 4.493,40 3.189,41 3.468,42 5.381,43 3.346,44 4.132,45 4.407,46 2.817,47 3.224,48 5.06,49 3.059,50 3.698,51 3.954,52 2.604,53 2.918,54 4.548,55 2.774,56 0.027,57 0.465,58 7.407,59 3.559,60 8.057,61 4.545,62 0.154,63 0.734,64 12.754,65 5.682,66 32.325,67 7.596,68 0.074,69 0.895,70 16.59,71 7.296,72 22.595,73 9.838,74 0.198,75 0.93,76 19.414,77 7.547,78 42.486,79 10.085,80 0.171,81 0.835,82 17.573,83 6.936,84 40.986,85 9.186,86 0.143,87 0.784,88 16.107,89 6.257,90 35.261,91 8.404,92 0.156,93 0.668,94 14.843,95 5.531,96 31.861,97 7.688,98 0.043,99 0.44,100 9.049,101 3.759,102 11.983,103 5.28,104 16,105 27,106 0.253,107 0.612,108 0.782,109 0.848,110 0.861,111 0.861,112 3.056,113 0.944,114 -3.92,115 -3.87,116 -3.68,118 45.9,119 1,120 2,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 14,169 1,172 3,175 1,177 1,180 16,181 2,186 4,191 2,194 15,195 2,198 3,203 2,206 12,207 2,210 4,215 2,218 11,219 2,222 4,227 2,229 8,230 1,234 2,239 1,242 5,243 1,247 2,252 1,255 4,256 1,259 2,264 1,267 3,268 1,270 434,271 13.508,272 13.508,273 13.508,274 13.508,275 13.508,276 11.681,277 11.929,278 8.212,279 13.578,280 10.311,281 10.311,282 10.311,283 10.311,284 10.311,285 7.599,286 12.47,287 3.842,288 10.411,289 3.81,290 1.829,291 0.892,292 0.527,293 0.453,294 0.453,295 3.717,298 1,299 1,300 1,301 387,302 3.24,306 145.112,313 1.805,314 16.311,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42.5,326 189,327 4.2,328 3.608,329 5.959,330 3.812,331 2.811,332 3.761,333 1.437,334 8.385,335 2.807,336 4.013,337 2.977,338 5.603,339 3.662,340 2.664,341 3.486,342 0.68,343 7.725,344 2.654,345 3.805,346 2.568,347 5.275,348 3.385,349 2.39,350 3.291,352 6.679,353 2.374,354 3.397,355 2.277,356 4.938,357 3.017,358 2.022,359 2.679,361 5.785,362 2.009,363 2.873,364 1.984,365 3.71,366 2.389,367 1.422,368 2.026,370 3.047,371 1.372,372 2.726,373 1.491,374 3.585,375 2.246,376 1.239,377 1.635,379 2.709,380 1.228,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 1.677,400 0.578,401 2.947,402 1.426,403 0.427,404 0.508,406 0.826,407 0.426,408 1.35,409 0.474,410 2.675,411 1.046,412 0.05,413 0.062,415 0.101,416 0.05,417 0.881,418 0.211,419 2,420 0.551,421 -0.441,422 -0.53,424 -0.967,425 -0.434,426 0.529,427 -0.29,428 1.953,429 0.098,430 -0.9,431 -1.129,433 -2,434 -0.872,435 0.5,436 -0.725,437 1.684,439 -1,440 -1.346,442 -2.18,443 -0.972,444 0.5,445 -1,446 1.555,447 -0.018,448 -1,449 -1.5,451 -2.347,452 -0.982,453 0.324,454 -1,455 1.369,456 -0.027,457 -1,458 -1.5,460 -3,461 -1,462 9.567,463 0.478,464 0.4,465 0.02,466 26.5,467 1.325,468 15,469 0.75,470 11.5,471 0.575,472 13.209,473 0.66,474 21.033,475 0.568,476 17.462,477 0.873,478 5.407,479 0.27,480 4.279,481 0.214,482 0.122,484 0.261,487 0.748,488 1.069,489 0.837,490 0.987,491 0.728,492 0.936,493 0.446,494 1.023,495 0.878,496 1.012,497 0.396,498 0.999,499 0.626,500 1.151,501 0.992,502 1.168,503 0.661,504 1.136,505 1.152,506 0.947,507 1.088,508 0.989,509 1.156,510 1.023,511 1.166,512 0.961,513 0.993,514 0.956,515 1.179,516 0.959,517 1.098,518 1.103,519 1.103,520 1.103,521 1.077,522 1.104,523 0.977,524 0.861,525 0.986,526 0.888,527 0.995,528 0.929,529 0.45,530 1.038,531 0.823,532 1.046,533 0.49,534 0.996,535 4,536 0.07,537 1.556,538 0.938,539 0.853,540 0.299,541 0.342,542 0.226,543 0.086,544 0.106,545 3893,546 11103,547 1.995,548 45.9,549 7,550 7,552 2,553 1,558 1.611,559 1.875,560 3.227,561 -0.37,563 1,565 1,567 51.776,568 1.399,569 3.38,570 4.317,571 4.682,572 4.757,573 4.757,574 2.746,575 2.909,576 4.292,577 3.41,578 647.9,579 7.302,580 6914.97,581 1,582 1,583 1,584 1,585 192.75,586 1.353,587 4.255,588 0.19,589 0.006,590 0.058,591 0.036,592 0.039,593 0.014,594 0.019,595 0.019,596 0.009,597 0.011,598 0.4,599 0.83,600 1,601 1.391,602 90.597,603 -0.055,604 -0.002,605 0.006,606 0.042,607 -0.079,608 0.031,609 0.211,610 0.019,611 0.003,612 -0.005,613 0.231,614 -0.023,616 -0.164,617 -0.09,618 -0.165,619 -0.017,620 -0.144,621 -0.127,622 0.015,623 -0.108,624 -0.018,625 -0.119,626 -0.052,627 -0.094,628 -0.017,629 -0.009,630 0.025,631 -0.063,632 0.018,633 -0.091,634 -0.134,635 -0.127,636 -0.137,637 -0.068,638 -0.137,639 -0.067,640 0.071,641 0.023,642 0.075,643 -0.088,644 0.064,645 0.102,646 -0.105,647 0.127,648 -0.053,649 0.064,650 0.025,651 2.521,652 3.968,653 0.6,654 17.7,655 0.995,656 1.115,657 2.689,658 7.232,659 0.676,660 3.091,661 3.332,662 3.497,663 3.638,664 3.807,665 3.664,666 3.761,667 3.892,668 3.807,669 3.714,670 5.827,671 0.64,672 267.35,673 3.091,674 4.575,675 5.371,676 6.196,677 7.009,678 7.837,679 8.656,680 9.485,681 10.307,682 11.136,683 2.7,693 1,699 8,700 1,704 3,706 12,724 37,726 14,727 1,728 21,730 38,731 17,733 11,734 2,735 4,736 3,739 2,740 2,745 1,751 2,753 14,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 20,845 1,846 2,862 5.4,864 1,865 1,869 10.667,870 6.817,871 4.611,872 2.274,874 2.635,875 1.425,876 0.932,877 4.807,878 8.83,879 3.401,880 3.932,881 4.419,882 4.883,883 5.417,884 5.443,885 5.825,886 6.259,887 6.457,888 6.622,889 1,890 26,891 7.355,893 2.984,894 7.867,895 13.941,897 10.882,899 2.367,900 47.333,901 0.001,904 188.338,905 111.975,906 16.786,908 67.828,911 111.975,912 256.166,913 16.786,914 8.825,915 5.069,916 66.334,917 109.066,918 30.837,920 164.795,922 188.338,923 128.761,924 67.828,927 188.338,928 67.828,931 31.989,932 70.51,933 26.262,935 188.338,936 84.614,937 111.975,940 188.338,941 18.721,942 93.254,944 84.614,945 188.338,946 84.614,947 111.975,949 0.562,950 0.318,951 0.16,952 0.084,953 11,954 5,955 0.132,956 5,958 1,959 3.31,960 134.963,962 12,963 82.439,968 14.168,969 6.785,970 4.136,972 84.614,973 15.521,974 4.093,978 3.262,980 42.683,981 384.926,982 29,987 10.968,989 1.718,991 -0.433,994 36.825,995 41.239,996 0.269,997 0.649,998 0.829,999 0.899,1000 0.913,1001 0.913,1002 4.575,1003 1,1004 5.313,1005 2.275,1006 4.007,1007 4.615,1008 1.801,1009 6.009,1010 3.992,1011 5.757,1012 0.427,1013 6.804,1014 2.136,1015 3.434,1016 4.182,1018 6.683,1019 3.426,1020 7.029,1021 0.05,1022 8.388,1023 0.826,1024 5.493,1025 6.711,1026 2.297,1027 9.675,1028 5.471,1029 8.333,1030 -0.441,1031 10.027,1032 0.101,1033 5.707,1034 7.029,1036 11.126,1037 5.696,1038 9.664,1039 -0.9,1040 11.699,1041 -0.967,1042 7.222,1043 9.033,1044 2.933,1045 13.594,1046 7.196,1047 11.012,1048 -1,1049 13.392,1050 -2,1051 7.81,1052 9.718,1054 15.376,1055 7.794,1056 12.375,1057 -1,1058 15.101,1059 -2.18,1060 9.073,1061 11.46,1062 3.621,1063 17.637,1064 9.045,1065 2.811,1066 -1,1067 16.82,1068 -2.347,1069 9.856,1070 12.357,1072 19.58,1073 9.835,1074 2.664,1075 8.385,1076 18.547,1077 -3,1078 10.993,1079 13.944,1080 4.33,1081 21.75,1082 10.963,1083 2.39,1084 7.725,1085 20.28,1086 3.761,1087 11.882,1088 14.977,1090 23.774,1091 11.856,1092 2.022,1093 6.679,1094 22.018,1095 3.486,1096 12.956,1097 16.466,1098 5.048,1099 25.907,1100 12.924,1101 1.422,1102 5.785,1103 23.76,1104 3.291,1105 13.902,1106 17.588,1108 27.972,1109 13.873,1110 1.239,1111 3.047,1112 25.506,1113 2.679,1114 14.945,1115 19.015,1116 5.769,1117 30.089,1118 14.911,1119 1,1120 2.709,1121 27.255,1122 2.026,1123 15.923,1124 20.198,1126 32.176,1127 15.89,1128 3957,1129 6752,1130 13.811,1131 25.006,1132 30.527,1133 30.869,1134 31.277,1135 30.066,1136 30.049,1137 40.893,1138 4.233,1139 79.337,1140 29.749,1141 4.947,1142 5.608,1143 5.76,1144 4.847,1145 4.811,1146 6.761,1147 2.873,1148 14.22,1149 4.807,1150 9.721,1151 1.454,1152 1.47,1153 1.489,1154 1.432,1155 1.431,1156 1.947,1157 0.202,1158 3.778,1159 1.417,1160 3.995,1161 4.024,1162 3.933,1163 3.939,1164 7.475,1165 3.933,1166 3.83,1167 3.866,1168 3.767,1169 3.739,1170 6.351,1171 3.74,1172 3.66,1173 3.695,1174 3.579,1175 3.543,1176 4.906,1177 3.543,1178 3.239,1179 3.301,1180 3.054,1181 3.081,1182 4.731,1183 3.062,1184 3.152,1185 3.186,1186 3.042,1187 2.925,1188 4.21,1189 2.941,1190 2.854,1191 2.925,1192 2.694,1193 2.735,1194 3.894,1195 2.715,1196 2.835,1197 2.882,1198 2.687,1199 2.657,1200 3.788,1201 2.669,1202 2.749,1203 2.833,1204 2.613,1205 2.518,1206 3.674,1207 2.533,1208 0.2,1209 0.172,1210 0.284,1211 0.182,1212 0.134,1213 4.2,1214 0.179,1215 3.608,1216 0.068,1217 5.959,1218 0.399,1219 3.812,1220 0.134,1221 2.811,1222 3.761,1223 1.437,1224 8.385,1225 2.807,1226 1.975,1227 1.95,1228 2.085,1229 2.052,1230 1.244,1231 2.064,1232 1.815,1233 1.781,1234 1.946,1235 1.932,1236 1.105,1237 1.937,1238 1.641,1239 1.603,1240 1.849,1241 1.793,1242 0.942,1243 1.811,1244 1.237,1245 1.172,1246 1.494,1247 1.465,1248 0.62,1249 1.466,1250 1.083,1251 1.042,1252 1.332,1253 1.326,1254 0.408,1255 1.327,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.785,1263 0.749,1264 1.041,1265 1.04,1266 0.101,1267 1.042,1268 0.696,1269 0.621,1270 0.953,1271 0.978,1272 0.013,1273 0.993,1274 3.761,1276 5.017,1278 6.466,1280 7.993,1282 9.554,1284 1.844,1289 9.009,1290 1.351,1300 23.665,1301 51.776,1302 125.059,1303 159.73,1304 173.24,1305 175.995,1306 175.995,1307 33.878,1308 6.194,1309 50.19,1310 50.19,1311 12,1312 11.711,1313 3.907,1314 3.17,1315 36.678,1316 73,1317 56,1318 0.26,1319 150.421,1320 263.6,1321 358.787,1322 3401,1324 14.372,1325 0.719,1326 0.571,1327 14.372,1328 11.413,1329 9.686,1330 0.461,1331 0.315,1332 6.558,1333 9.469,1334 6.352,1335 5.345,1336 9.686,1337 6.605,1338 8.275,1339 0.306,1340 0.171,1341 8.275,1342 4.608,1343 6.461,1344 0.202,1345 0.097,1346 6.461,1347 3.107,1348 4.936,1349 0.133,1350 0.054,1351 4.936,1352 1.986,1353 3.845,1354 0.087,1355 0.029,1356 3.845,1357 1.298,1358 0.414,1359 59.77,1360 0.269,1361 20.378,1362 0.694,1363 96,1364 279.53,1365 101.816,1366 276.336,1367 366.86,1368 256,1369 107,1370 256.779,1371 111.821,1372 265.41,1373 376.98,1374 248,1375 8.155} {0 CHEMBL557427,1 1.629,2 10.731,3 2.987,4 8.921,5 99.465,6 7.53,7 0.444,8 3.977,9 4.081,10 3.692,11 3.548,12 5.05,13 3.486,14 4.522,15 4.681,16 3.911,17 3.913,18 5.841,19 3.816,20 4.827,21 5.05,22 3.909,23 4.047,24 5.848,25 3.905,26 4.886,27 5.12,28 3.865,29 4.007,30 5.938,31 3.865,32 4.869,33 5.113,34 3.855,35 3.991,36 5.903,37 3.85,38 4.842,39 5.078,40 3.852,41 3.993,42 5.886,43 3.85,44 4.817,45 5.044,46 3.831,47 3.976,48 5.95,49 3.849,50 4.749,51 4.973,52 3.755,53 3.932,54 5.845,55 3.812,56 0.103,57 0.711,58 13.511,59 5.212,60 22.041,61 6.338,62 0.405,63 1.115,64 21.438,65 8.631,66 79.797,67 10.964,68 0.342,69 1.387,70 33.842,71 11.927,72 74.457,73 15.055,74 0.489,75 1.417,76 35.85,77 11.567,78 99.863,79 14.809,80 0.514,81 1.405,82 35.596,83 11.278,84 92.945,85 14.529,86 0.47,87 1.367,88 35.658,89 11.364,90 91.126,91 14.537,92 0.559,93 1.311,94 33.053,95 10.938,96 105.345,97 13.958,98 0.36,99 1.244,100 29.814,101 10.346,102 74.045,103 13.402,104 23,105 35,106 0.276,107 0.589,108 0.751,109 0.858,110 0.881,111 0.881,112 3.303,113 1.126,114 -3.03,115 -3.03,116 -2.92,118 38,120 5,121 1,124 1,140 7,141 1,142 1,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 3,175 3,177 2,180 11,181 1,186 7,191 5,194 8,195 1,198 8,203 5,206 5,207 1,210 8,213 1,215 4,218 6,219 1,222 6,227 2,229 9,230 1,233 2,234 6,239 2,242 11,243 1,247 6,252 1,253 1,255 11,256 1,259 5,260 1,262 1,263 1,264 1,267 8,268 1,270 1260,271 17.25,272 17.25,273 17.25,274 17.25,275 17.25,276 15.303,277 10.618,278 10.723,279 17.482,280 13.35,281 13.35,282 13.35,283 13.35,284 13.35,285 10.471,286 5.844,287 5.123,288 13.736,289 4.015,290 2.166,291 1.208,292 0.575,293 0.44,294 0.44,295 3.968,298 1,299 1,300 1,301 567,302 4.472,306 208.876,313 1.675,314 36.872,316 1,317 1,318 0.83,319 0.83,320 1,321 0.5,322 0.83,323 0.5,324 0.79,325 57,326 279,327 4.843,328 4.683,329 7.293,330 4.292,331 3.375,332 4.694,333 2.341,334 12.406,335 3.069,336 4.069,337 3.596,338 6.134,339 3.819,340 2.826,341 3.548,343 9.021,344 2.804,345 3.556,346 3.066,347 4.931,348 3.24,349 2.235,350 3.053,352 5.403,353 2.222,354 3.55,355 2.082,356 4.659,357 3.043,358 2.048,359 2.71,361 5.185,362 2.038,363 3.213,364 1.933,365 4.491,366 2.89,367 1.91,368 2.391,370 4.655,371 1.871,372 2.716,373 1.693,374 3.701,375 2.555,376 1.564,377 1.787,379 3.212,380 1.545,381 2.702,382 1.463,383 3.636,384 2.236,385 1.261,386 1.733,388 2.837,389 1.224,390 2.5,391 1.234,392 3.473,393 2.132,394 1.146,395 1.5,397 2.64,398 1.127,399 2.5,400 1.054,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.469,409 1,410 3.247,411 1.956,412 1,413 1.45,415 2.136,416 0.953,417 1.918,418 1,419 3.2,420 1.805,421 0.82,422 0.867,424 1.774,425 0.803,426 1.468,427 0.684,428 2.836,429 1.292,430 0.322,431 0.351,433 0.737,434 0.31,435 1,436 0.401,437 2.544,438 0.721,439 -0.275,440 -0.293,442 -0.613,443 -0.271,444 0.886,445 0.083,446 2.293,447 0.233,448 -0.725,449 -0.963,451 -1.629,452 -0.675,453 0.735,454 -0.062,455 2.192,456 0.195,457 -0.778,458 -0.987,460 -1.746,461 -0.749,462 12.467,463 0.479,464 0.598,465 0.023,466 31.75,467 1.221,468 16.5,469 0.635,470 15.25,471 0.587,472 21.891,473 0.842,474 29.533,475 0.591,476 23.592,477 0.907,478 5.937,479 0.228,480 6.551,481 0.252,482 0.107,483 0.067,484 0.16,487 0.596,488 1.318,489 0.879,490 1.274,491 0.681,492 1.039,493 0.467,494 1.179,495 0.943,496 1.13,497 0.446,498 1.149,499 0.84,500 1.124,501 1.086,502 1.131,503 0.809,504 1.054,505 1.114,506 1.068,507 1.093,508 1.022,509 1.084,510 1.025,511 1.062,512 0.926,513 1.069,514 0.946,515 1.004,516 0.953,517 1.036,518 0.985,519 1.126,520 1.041,521 1.009,522 0.982,523 1.076,524 0.896,525 1.05,526 0.932,527 1.124,528 0.955,529 0.968,530 1.036,531 1.006,532 1.028,533 0.976,534 1.021,535 5,536 0.14,537 2.889,538 1.375,539 0.68,540 0.785,541 0.508,542 0.316,543 0.238,544 0.154,545 7647,546 24434,547 1.965,548 48,549 8,550 9,552 2,553 2,554 2,555 1,558 1.694,559 1.846,560 3.389,561 0.289,562 1,563 1,567 81.443,568 1.629,569 3.478,570 4.436,571 5.069,572 5.204,573 5.204,574 2.907,575 4.056,576 4.667,577 3.591,578 1167.21,579 8.11,580 15336.2,582 1,584 1,585 282.193,586 1.412,587 4.625,588 0.185,589 0.007,590 0.083,591 0.04,592 0.022,593 0.025,594 0.016,595 0.01,596 0.008,597 0.006,598 0.403,599 0.33,600 0.88,601 1.681,602 128.881,603 0.048,604 -0.073,605 0.194,606 -0.032,607 -0.099,608 0.033,609 0.289,610 -0.049,611 -0.018,612 -0.077,613 0.28,614 -0.135,615 -0.049,616 -0.117,617 -0.035,618 -0.061,619 -0.017,620 -0.033,621 -0.137,622 -0.084,623 -0.069,624 -0.032,625 -0.1,626 -0.051,627 -0.115,628 0.072,629 -0.038,630 0.036,631 -0.087,632 0.016,633 -0.111,634 0.007,635 -0.048,636 -0.002,637 -0.079,638 0.01,639 -0.069,640 0.084,641 -0.058,642 0.049,643 -0.084,644 0.021,645 -0.091,646 -0.054,647 -0.073,648 -0.054,649 -0.085,650 -0.029,651 4.475,652 5.427,653 0.462,654 25.538,655 1.006,656 1.126,657 1.796,658 3.226,659 0.657,660 3.332,661 3.584,662 3.714,663 3.829,664 3.97,665 3.892,666 3.951,667 3.912,668 3.932,669 3.912,670 6.646,671 0.618,672 376.52,673 3.332,674 4.828,675 5.617,676 6.45,677 7.263,678 8.104,679 8.929,680 9.775,681 10.607,682 11.457,683 4,685 1,693 1,699 9,700 1,704 2,706 12,724 50,726 15,727 1,728 27,730 51,731 19,733 11,734 1,735 5,739 2,740 2,751 5,753 12,754 7,755 1,756 3,760 1,761 3,765 1,768 1,769 1,772 24,773 6,774 2,775 7,776 1,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,840 26,844 1,845 1,846 6,847 1,850 1,862 8,864 1,865 3,869 14.083,870 8.4,871 5.903,872 3.031,874 1.729,875 1.27,876 0.924,877 7.923,878 8.138,879 3.611,880 4.127,881 4.483,882 4.881,883 5.304,884 5.153,885 5.398,886 5.225,887 5.446,888 5.726,889 1,890 34,891 9.859,893 4.303,894 8.067,895 18.249,897 14.776,899 2.567,900 66.75,903 1,904 258.964,905 110.661,906 33.191,908 112.141,910 5.807,911 104.853,912 371.105,913 33.191,915 14.778,916 88.546,917 153.379,918 22.831,920 235.422,922 258.964,923 138.044,924 112.141,925 5.807,927 247.193,928 123.912,931 49.278,932 71.98,933 22.593,935 258.964,936 145.332,937 110.661,939 5.807,940 258.964,941 20.425,942 84.429,943 16.405,944 128.927,945 258.964,946 145.332,947 110.661,949 0.563,950 0.301,951 0.148,952 0.079,953 13,954 6,955 0.216,956 11,958 1,959 3.819,960 194.663,962 12,963 116.211,967 1,968 20.249,969 10.173,970 7,972 145.332,973 15.477,974 4.121,978 1.216,980 59.088,981 514.957,982 36,986 -3.558,987 35.435,991 -0.788,994 50.309,995 56.321,996 0.289,997 0.616,998 0.786,999 0.898,1000 0.922,1001 0.922,1002 4.804,1003 1.146,1004 5.595,1005 2.837,1006 4.263,1007 4.812,1008 2.258,1009 6.365,1010 4.201,1011 5.995,1012 1,1013 7.138,1014 2.64,1015 3.892,1016 4.771,1017 2.243,1018 7.591,1019 3.727,1020 7.31,1021 1,1022 8.817,1023 2.136,1024 5.861,1025 7.03,1026 3.628,1027 10.574,1028 5.692,1029 8.677,1030 0.82,1031 10.587,1032 2.136,1033 6.382,1034 7.893,1035 4.112,1036 12.696,1037 6.068,1038 10.091,1039 0.322,1040 12.42,1041 1.774,1042 7.848,1043 9.686,1044 5.201,1045 15.315,1046 7.518,1047 11.541,1048 -0.275,1049 14.296,1050 0.737,1051 8.764,1052 10.936,1053 5.889,1054 17.704,1055 8.283,1056 13.018,1057 -0.725,1058 16.202,1059 -0.613,1060 10.05,1061 12.569,1062 6.849,1063 20.239,1064 9.525,1065 3.375,1066 -0.778,1067 18.128,1068 -1.629,1069 11.135,1070 13.986,1071 7.625,1072 22.711,1073 10.473,1074 2.826,1075 12.406,1076 20.068,1077 -1.746,1078 12.36,1079 15.562,1080 8.526,1081 25.228,1082 11.629,1083 2.235,1084 9.021,1085 22.018,1086 4.694,1087 13.516,1088 17.051,1089 9.342,1090 27.727,1091 12.661,1092 2.048,1093 5.403,1094 23.976,1095 3.548,1096 14.724,1097 18.606,1098 10.216,1099 30.241,1100 13.783,1101 1.91,1102 5.185,1103 25.94,1104 3.053,1105 15.909,1106 20.126,1107 11.051,1108 32.751,1109 14.854,1110 1.564,1111 4.655,1112 27.908,1113 2.71,1114 17.114,1115 21.675,1116 11.912,1117 35.266,1118 15.964,1119 1.261,1120 3.212,1121 29.88,1122 2.391,1123 18.313,1124 23.209,1125 12.755,1126 37.781,1127 17.054,1128 7755,1129 13992,1130 17.564,1131 32.853,1132 39.007,1133 40.102,1134 39.472,1135 39.055,1136 39.01,1137 51.168,1138 4.682,1139 104.28,1140 37.933,1141 5.799,1142 6.683,1143 7.095,1144 5.332,1145 5.375,1146 7.694,1147 3.925,1148 19.571,1149 5.069,1150 13.284,1151 1.445,1152 1.485,1153 1.462,1154 1.446,1155 1.445,1156 1.895,1157 0.173,1158 3.862,1159 1.405,1160 4.079,1161 4.067,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.912,1167 3.945,1168 3.849,1169 3.828,1170 7.474,1171 3.823,1172 3.734,1173 3.786,1174 3.676,1175 3.598,1176 6.999,1177 3.589,1178 3.645,1179 3.665,1180 3.607,1181 3.551,1182 6.351,1183 3.49,1184 3.499,1185 3.525,1186 3.399,1187 3.34,1188 4.896,1189 3.328,1190 3.252,1191 3.287,1192 3.13,1193 3.053,1194 4.716,1195 3.053,1196 2.931,1197 2.999,1198 2.726,1199 2.735,1200 4.195,1201 2.715,1202 2.854,1203 2.925,1204 2.687,1205 2.66,1206 3.998,1207 2.667,1208 0.179,1209 0.173,1210 0.27,1211 0.159,1212 0.125,1213 4.843,1214 0.174,1215 4.683,1216 0.087,1217 7.293,1218 0.459,1219 4.292,1220 0.114,1221 3.375,1222 4.694,1223 2.341,1224 12.406,1225 3.069,1226 1.965,1227 1.968,1228 2.068,1229 2.055,1230 1.419,1231 2.087,1232 1.896,1233 1.861,1234 1.995,1235 1.993,1236 1.221,1237 2.017,1238 1.728,1239 1.675,1240 1.937,1241 1.894,1242 1.139,1243 1.911,1244 1.55,1245 1.527,1246 1.741,1247 1.739,1248 0.891,1249 1.757,1250 1.418,1251 1.404,1252 1.551,1253 1.622,1254 0.786,1255 1.642,1256 1.186,1257 1.149,1258 1.274,1259 1.405,1260 0.553,1261 1.423,1262 0.886,1263 0.821,1264 1.181,1265 1.185,1266 0.39,1267 1.198,1268 0.873,1269 0.805,1270 1.129,1271 1.062,1272 0.218,1273 1.107,1274 4.007,1276 5.273,1278 6.727,1280 8.266,1282 9.852,1289 8.697,1290 3.474,1291 2.683,1294 -0.007,1300 30.884,1301 81.443,1302 173.906,1303 221.786,1304 253.438,1305 260.193,1306 260.193,1307 79.647,1308 6.409,1309 96.36,1310 104.74,1311 12,1312 12.019,1313 4,1314 3.322,1315 54.764,1316 97,1317 114,1318 0.257,1319 198.451,1320 347.93,1321 475.98,1322 4302,1324 18.83,1325 0.724,1326 0.591,1327 19.08,1328 15.36,1329 12.488,1330 0.463,1331 0.375,1332 8.69,1333 11.304,1334 8.402,1335 7.006,1336 13.309,1337 10.136,1338 11.052,1339 0.316,1340 0.226,1341 12.376,1342 7.908,1343 8.043,1344 0.201,1345 0.14,1346 9.134,1347 5.612,1348 6.003,1349 0.133,1350 0.085,1351 6.876,1352 3.844,1353 4.632,1354 0.089,1355 0.053,1356 5.445,1357 2.74,1358 0.405,1359 86.221,1360 0.239,1361 25.463,1362 0.697,1363 124,1364 404.195,1365 172.391,1366 408.156,1367 529.36,1368 372,1369 137,1370 337.319,1371 190.382,1372 376.905,1373 535.42,1374 352,1375 5} {0 CHEMBL557591,1 1.659,2 8.529,3 2.55,4 6.5,5 69.375,6 8.761,7 0.611,8 3.427,9 3.508,10 3.19,11 3.111,12 4.671,13 3.051,14 3.85,15 3.964,16 3.534,17 3.46,18 5.206,19 3.356,20 4.012,21 4.174,22 3.291,23 3.456,24 5.095,25 3.295,26 3.978,27 4.195,28 3.233,29 3.345,30 4.968,31 3.181,32 3.81,33 3.979,34 3.39,35 3.242,36 4.966,37 3.119,38 3.753,39 3.939,40 3.016,41 3.058,42 4.963,43 2.955,44 3.524,45 3.737,46 2.533,47 2.769,48 4.593,49 2.652,50 3.359,51 3.569,52 2.328,53 2.485,54 4.57,55 2.409,56 0.038,57 0.348,58 4.625,59 2.637,60 7.851,61 2.873,62 0.15,63 0.554,64 8.347,65 4.309,66 28.531,67 4.799,68 0.139,69 0.667,70 15.884,71 6.167,72 22.668,73 6.428,74 0.149,75 0.639,76 13.701,77 5.5,78 25.81,79 6.434,80 0.117,81 0.549,82 13.694,83 4.974,84 11.128,85 5.346,86 0.118,87 0.494,88 11.025,89 4.247,90 20.753,91 4.639,92 0.1,93 0.382,94 8.139,95 3.211,96 19.782,97 3.823,98 0.132,99 0.309,100 6.403,101 2.434,102 25.021,103 2.729,104 8,105 23,106 0.32,107 0.665,108 0.83,109 0.913,110 0.913,111 0.913,112 2.906,113 0.99,114 -2.98,115 -2.99,116 -2.88,118 46.4,120 1,133 2,140 4,141 1,143 2,150 2,154 1,163 1,167 1,168 5,169 1,172 3,175 1,177 1,180 8,181 1,186 3,191 1,194 7,206 5,207 2,210 4,215 2,218 5,219 1,222 2,227 1,229 3,230 1,234 2,239 1,242 2,243 1,247 2,252 1,255 1,256 1,259 1,260 1,264 1,268 1,270 326,271 11.43,272 11.43,273 11.43,274 11.43,275 11.43,276 9.773,277 9.554,278 7.115,279 11.688,280 8.933,281 8.933,282 8.933,283 8.933,284 8.933,285 6.467,286 11.945,287 3.469,288 9.377,289 3.149,290 1.357,291 0.5,292 0.071,293 0.071,294 0.071,295 3.562,299 1,300 1,301 299,302 2.739,305 49.1,306 58.628,313 1.557,314 14.014,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 36.5,326 145,327 4.17,328 3.474,329 5.72,330 3.718,331 2.791,332 3.793,333 1.437,334 8.113,335 2.604,336 3.875,337 3.008,338 5.332,339 3.442,340 2.471,341 3.422,342 0.68,343 6.959,344 2.371,345 3.633,346 2.548,347 4.819,348 3.188,349 2.197,350 2.904,352 5.502,353 2.142,354 3.198,355 2.009,356 4.561,357 2.792,358 1.835,359 2.387,361 4.879,362 1.735,363 2.849,364 1.478,365 3.585,366 2.359,367 1.397,368 1.991,370 3.021,371 1.34,372 2.5,373 1,374 3.285,375 1.956,376 1,377 1.5,379 2.136,380 0.954,381 2.346,382 0.952,383 3.247,384 1.745,385 0.781,386 1.152,388 1.826,389 0.742,390 2.137,391 0.695,392 2.937,393 1.393,394 0.467,395 0.752,397 1.071,398 0.419,399 1.18,400 0.37,401 2.64,402 0.838,403 -0.113,404 -0.141,406 -0.295,407 -0.106,408 0.57,409 0.126,410 1.85,411 0.156,412 -0.815,413 -0.939,415 -2,416 -0.757,417 0.5,418 -0.633,419 1.609,420 0.019,421 -1,422 -1.261,424 -2.035,425 -0.932,426 0.472,427 -0.853,428 1.555,429 -0.027,430 -1,431 -1.467,433 -2.347,434 -0.975,435 0.231,436 -1,437 1.269,438 -0.065,439 -1,440 -1.5,442 -2.666,443 -1.033,444 -0.117,445 -1.368,446 1,447 -0.565,448 -1.538,449 -2.051,451 -3.947,452 -1.27,453 -0.197,454 -1.509,455 0.963,456 -0.666,457 -1.57,458 -2.247,460 -4.457,461 -1.513,462 8.4,463 0.494,464 0.349,465 0.021,466 23,467 1.353,468 13,469 0.765,470 10,471 0.588,472 10.328,473 0.608,474 17.4,475 0.621,476 13.355,477 0.786,478 4.707,479 0.277,480 3.53,481 0.208,482 0.079,484 0.238,487 0.762,488 0.933,489 0.72,490 0.785,491 0.728,492 0.794,493 0.479,494 0.957,495 0.873,496 0.907,497 0.377,498 0.96,499 0.836,500 1.202,501 1.577,502 1.414,503 0.786,504 1.281,505 0.711,506 0.843,507 0.965,508 0.886,509 0.66,510 0.958,511 0.516,512 1.213,513 1.097,514 1.376,515 0.588,516 1.035,517 1.076,518 1.102,519 1.081,520 1.092,521 1.043,522 1.031,523 0.948,524 1.012,525 0.92,526 0.966,527 0.985,528 1.088,529 1.631,530 0.873,531 0.785,532 0.706,533 1.715,534 0.957,535 3.5,536 0.037,537 0.889,538 0.757,539 0.516,540 0.278,541 0.302,542 0.047,543 0.082,544 0.066,545 2517,546 8827,547 2.028,548 39.3,550 6,552 2,553 1,554 2,558 1.562,559 1.925,560 3.112,561 -0.256,563 1,565 1,567 46.446,568 1.659,569 3.45,570 4.307,571 4.736,572 4.736,573 4.736,574 2.571,575 3.735,576 4.056,577 3.246,578 441.504,579 6.826,580 4129.82,581 1,582 1,584 1,585 134.606,586 1.261,587 4.03,588 0.194,589 0.007,590 0.039,591 0.042,592 0.032,593 0.016,594 0.022,595 0.005,596 0.012,597 0.009,598 0.379,599 0.67,600 1,601 1.325,602 72.136,603 -0.083,604 0.029,605 0.034,606 0.099,607 -0.099,608 0.055,609 0.193,610 0.041,611 0.036,612 0.058,613 0.256,614 -0.063,615 -0.136,616 -0.209,617 -0.384,618 -0.28,619 -0.088,620 -0.283,621 -0.045,622 0.132,623 0.05,624 0.117,625 -0.037,626 0.074,627 0.189,628 -0.223,629 0.171,630 -0.205,631 0.091,632 -0.001,633 -0.086,634 -0.139,635 -0.09,636 -0.119,637 -0.053,638 -0.056,639 -0.086,640 -0.099,641 -0.114,642 -0.11,643 -0.122,644 -0.1,645 -0.273,646 0.032,647 -0.078,648 0.06,649 -0.304,650 -0.021,651 2.591,652 3.38,653 0.647,654 12.913,655 1.009,656 1.104,657 1.754,658 3.078,659 0.727,660 2.944,661 3.178,662 3.296,663 3.497,664 3.584,665 3.497,666 3.584,667 3.584,668 3.434,669 3.367,670 5.184,671 0.688,672 245.32,673 2.944,674 4.419,675 5.198,676 6.023,677 6.825,678 7.656,679 8.469,680 9.302,681 10.122,682 10.956,683 3.6,693 1,699 6,700 1,703 1,704 3,706 11,724 28,726 13,728 18,730 29,731 13,733 9,736 3,739 2,740 2,751 1,753 12,754 1,756 2,761 1,763 2,765 1,769 1,772 11,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 2,830 1,832 2,834 1,840 17,845 1,846 1,856 1,862 7.1,864 1,865 1,869 8.833,870 4.9,871 3.833,872 1.503,874 2.442,875 1.415,876 0.942,877 3.914,878 8.334,879 3.277,880 3.801,881 4.271,882 4.772,883 5.124,884 5.214,885 5.575,886 5.91,887 6.025,888 6.306,889 0.833,890 18,891 6.216,893 2.53,894 7.971,895 11.674,897 9.121,899 2.471,900 42,901 0.001,904 117.711,905 115.577,906 16.786,908 67.828,910 31.278,911 84.299,912 185.539,913 16.786,915 2.535,916 56.857,917 109.066,918 21.28,919 2.717,920 125.447,922 117.711,923 101.085,924 67.828,925 31.278,927 117.711,928 67.828,931 20.629,932 44.717,933 35.738,934 31.278,935 117.711,936 84.614,937 115.577,940 117.711,941 40.624,942 74.952,944 84.614,945 117.711,946 84.614,947 115.577,949 0.56,950 0.287,951 0.151,952 0.083,953 10,954 4,955 0.138,956 4,958 1,959 3.083,960 106.444,962 11,963 69.487,964 1,968 11.838,969 5.62,970 3.699,972 84.614,973 11.466,974 4.06,977 1.592,978 3.303,980 42.683,981 317.902,982 25.5,987 10.38,989 2.763,991 -0.924,994 28.251,995 30.913,996 0.345,997 0.718,998 0.896,999 0.985,1000 0.985,1001 0.985,1002 4.44,1003 0.467,1004 5.13,1005 1.826,1006 3.85,1007 4.483,1008 1.801,1009 5.79,1010 3.755,1011 5.617,1012 -0.113,1013 6.586,1014 1.071,1015 3.219,1016 3.98,1018 6.326,1019 3.052,1020 6.874,1021 -0.815,1022 8.131,1023 -0.295,1024 5.293,1025 6.561,1026 2.297,1027 9.34,1028 5.099,1029 8.163,1030 -1,1031 9.725,1032 -2,1033 5.442,1034 6.872,1036 10.691,1037 5.144,1038 9.478,1039 -1,1040 11.352,1041 -2.035,1042 6.973,1043 8.867,1044 2.933,1045 13.164,1046 6.667,1047 10.811,1048 -1,1049 13.001,1050 -2.347,1051 7.507,1052 9.59,1054 14.882,1055 7.083,1056 12.159,1057 -1.538,1058 14.665,1059 -2.666,1060 8.781,1061 11.296,1062 3.621,1063 17.136,1064 8.349,1065 2.791,1066 -1.57,1067 16.341,1068 -3.947,1069 9.527,1070 12.254,1072 19.035,1073 8.975,1074 2.471,1075 8.113,1076 18.026,1077 -4.457,1078 10.671,1079 13.8,1080 4.33,1081 21.193,1082 10.099,1083 2.197,1084 6.959,1085 19.719,1086 3.793,1087 11.535,1088 14.898,1090 23.183,1091 10.851,1092 1.835,1093 5.502,1094 21.417,1095 3.422,1096 12.612,1097 16.353,1098 5.048,1099 25.299,1100 11.895,1101 1.397,1102 4.879,1103 23.12,1104 2.904,1105 13.543,1106 17.537,1108 27.335,1109 12.723,1110 1,1111 3.021,1112 24.827,1113 2.387,1114 14.588,1115 18.937,1116 5.769,1117 29.433,1118 13.721,1119 0.781,1120 2.136,1121 26.538,1122 1.991,1123 15.557,1124 20.174,1126 31.494,1127 14.596,1128 2565,1129 4888,1130 12.019,1131 20.369,1132 26.752,1133 26.449,1134 26.252,1135 25.897,1136 25.88,1137 35.801,1138 4.233,1139 67.011,1140 24.612,1141 4.931,1142 5.474,1143 5.522,1144 4.81,1145 4.791,1146 6.793,1147 2.873,1148 13.842,1149 4.563,1150 7.224,1151 1.486,1152 1.469,1153 1.458,1154 1.439,1155 1.438,1156 1.989,1157 0.235,1158 3.723,1159 1.367,1160 3.968,1161 3.987,1162 4.251,1163 3.986,1164 7.476,1165 3.921,1166 3.798,1167 3.824,1168 3.783,1169 3.729,1170 6.351,1171 3.717,1172 3.52,1173 3.527,1174 3.498,1175 3.363,1176 4.902,1177 3.373,1178 3.089,1179 3.143,1180 2.968,1181 2.945,1182 4.663,1183 2.938,1184 2.828,1185 2.863,1186 2.7,1187 2.581,1188 4.069,1189 2.607,1190 2.754,1191 2.835,1192 2.682,1193 2.52,1194 3.834,1195 2.537,1196 2.481,1197 2.569,1198 2.615,1199 2.378,1200 3.702,1201 2.307,1202 2.171,1203 2.22,1204 2.228,1205 2.153,1206 3.147,1207 2.022,1208 0.232,1209 0.193,1210 0.318,1211 0.207,1212 0.155,1213 4.17,1214 0.211,1215 3.474,1216 0.08,1217 5.72,1218 0.451,1219 3.718,1220 0.145,1221 2.791,1222 3.793,1223 1.437,1224 8.113,1225 2.604,1226 1.866,1227 1.833,1228 1.982,1229 1.978,1230 1.141,1231 1.985,1232 1.661,1233 1.647,1234 1.768,1235 1.777,1236 0.85,1237 1.776,1238 1.481,1239 1.455,1240 1.606,1241 1.585,1242 0.746,1243 1.611,1244 1.189,1245 1.185,1246 1.352,1247 1.369,1248 0.415,1249 1.374,1250 0.887,1251 0.852,1252 1.045,1253 1.077,1254 0.174,1255 1.09,1256 0.711,1257 0.628,1258 0.96,1259 0.98,1261 0.996,1262 0.542,1263 0.506,1264 0.866,1265 0.807,1267 0.851,1268 0.334,1269 0.24,1270 0.66,1271 0.595,1273 0.676,1274 3.611,1276 4.86,1277 2.398,1278 6.271,1279 4.595,1280 7.753,1281 6.555,1282 9.275,1289 8.526,1290 0.833,1300 19.272,1301 46.446,1302 96.606,1303 120.606,1304 132.606,1305 132.606,1306 132.606,1307 22.765,1308 5.892,1309 50.19,1310 78.43,1311 11,1312 11.529,1313 3.807,1314 3.087,1315 28.644,1316 52,1317 46,1318 0.274,1319 126.11,1320 215.55,1321 299.468,1322 2308,1324 12.088,1325 0.711,1326 0.58,1327 12.441,1328 9.853,1329 8.237,1330 0.458,1331 0.33,1332 5.15,1333 7.527,1334 4.954,1335 4.125,1336 8.645,1337 5.941,1338 7.256,1339 0.315,1340 0.205,1341 7.951,1342 4.714,1343 5.194,1344 0.2,1345 0.124,1346 5.916,1347 3.224,1348 4.118,1349 0.129,1350 0.075,1351 4.873,1352 2.386,1353 3.113,1354 0.089,1355 0.042,1356 3.734,1357 1.469,1358 0.432,1359 55.16,1360 0.288,1361 17.609,1362 0.735,1363 82,1364 268.391,1365 113.439,1366 282.619,1367 371.87,1368 262,1369 90,1370 241.522,1371 114.2,1372 262.701,1373 372.79,1374 246,1375 7.328} {0 CHEMBL55763,1 1.584,2 22.321,3 6.008,4 36.095,5 203.041,6 7.308,7 0.386,8 4.698,9 4.822,10 4.227,11 4.213,12 5.782,13 4.183,14 5.262,15 5.445,16 4.584,17 4.624,18 6.359,19 4.559,20 5.597,21 5.824,22 4.711,23 4.827,24 6.594,25 4.734,26 5.687,27 5.914,28 4.726,29 4.889,30 6.669,31 4.792,32 5.76,33 5.986,34 4.787,35 4.929,36 6.848,37 4.822,38 5.834,39 6.086,40 4.738,41 4.901,42 6.927,43 4.779,44 5.752,45 6.003,46 4.571,47 4.805,48 6.777,49 4.669,50 5.629,51 5.892,52 4.485,53 4.691,54 6.599,55 4.552,56 0.093,57 1.463,58 21.865,59 9.411,60 20.638,61 12.658,62 0.555,63 2.373,64 42.016,65 15.693,66 91.925,67 22.247,68 0.97,69 3.012,70 64.625,71 21.911,72 120.959,73 31.07,74 0.835,75 3.247,76 69.555,77 23.641,78 125.572,79 33.301,80 1.009,81 3.385,82 75.002,83 26.002,84 185.937,85 36.579,86 1.459,87 3.412,88 85.994,89 27.143,90 235.539,91 38.534,92 1.306,93 3.058,94 82.937,95 25.056,96 206.238,97 34.985,98 0.881,99 2.73,100 73.008,101 22.71,102 141.98,103 32.364,104 70,105 77,106 0.229,107 0.552,108 0.764,109 0.895,110 0.918,111 0.918,112 3.991,113 0.987,114 -3.87,115 -3.83,116 -3.63,118 39.2,120 10,123 1,124 4,126 2,140 9,141 4,142 2,143 2,150 2,154 4,163 2,167 2,168 18,171 1,172 9,173 1,175 3,177 4,178 1,180 19,181 1,185 1,186 12,189 4,190 2,191 5,194 18,195 1,197 1,198 9,199 1,203 5,206 17,207 4,209 1,210 13,211 2,213 2,215 9,216 1,218 16,219 5,221 2,222 13,225 3,226 2,227 10,228 1,229 15,230 2,234 9,237 1,238 1,239 5,242 14,243 3,244 1,247 7,248 2,252 6,253 2,255 13,256 3,258 2,259 7,262 5,263 2,264 7,265 1,267 10,268 1,270 7285,271 35.691,272 35.691,273 35.691,274 35.691,275 35.691,276 32.371,277 35.736,278 21.71,279 36.231,280 28.166,281 28.166,282 28.166,283 28.166,284 28.166,285 23.062,286 35.607,287 10.373,288 29.049,289 5.088,290 2.853,291 1.388,292 0.478,293 0.321,294 0.321,295 4.69,297 1,301 2543,302 5.745,305 154.542,306 558.651,307 203.388,309 286.982,311 339.679,313 3.21,314 68.891,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 115.333,326 1183,327 4.791,328 3.907,329 7.117,330 4.349,331 3.378,332 4.755,333 2.378,334 12.358,335 3.281,336 4.403,337 3.738,338 6.759,339 4.144,340 3.178,341 3.909,342 2.375,343 11.02,344 3.069,345 4.036,346 3.578,347 6.091,348 3.752,349 2.775,350 3.639,351 1.983,352 8.77,353 2.703,354 3.961,355 3.574,356 6.083,357 3.602,358 2.628,359 3.188,360 1.907,361 8.706,362 2.562,363 3.796,364 3.454,365 5.845,366 3.507,367 2.506,368 3.095,369 0.656,370 7.868,371 2.498,372 3.659,373 3.01,374 5.609,375 3.39,376 2.383,377 2.994,378 0.434,379 6.945,380 2.387,381 3.633,382 2.899,383 5.285,384 3.247,385 2.26,386 2.841,387 0.4,388 6.422,389 2.211,390 3.533,391 2.494,392 5.077,393 3.138,394 2.225,395 2.827,396 0.149,397 6.093,398 2.088,399 3.482,400 2.491,401 5.035,402 3.101,403 2.14,404 2.684,406 6.048,407 1.949,408 3.174,409 2.335,410 4.789,411 2.88,412 1.894,413 2.457,415 4.858,416 1.849,417 3.128,418 2.173,419 4.569,420 2.818,421 1.856,422 2.219,424 4.8,425 1.783,426 2.915,427 2.086,428 4.15,429 2.672,430 1.735,431 2.089,433 3.763,434 1.618,435 2.885,436 1.842,437 3.929,438 2.626,439 1.635,440 1.884,442 3.456,443 1.579,444 2.743,445 1.828,446 3.898,447 2.482,448 1.494,449 1.8,451 3.381,452 1.472,453 2.688,454 1.692,455 3.757,456 2.464,457 1.471,458 1.688,460 3.146,461 1.451,462 25.114,463 0.474,464 1.21,465 0.023,466 60.25,467 1.137,468 26.5,469 0.5,470 33.75,471 0.637,472 62.656,473 1.182,474 59.486,475 0.583,476 56.116,477 1.059,478 11.579,479 0.218,480 14.055,481 0.265,482 0.128,484 0.311,487 0.767,488 1.386,489 0.766,490 1.101,491 0.633,492 1.012,493 0.592,494 1.238,495 0.83,496 1.067,497 0.433,498 1.048,499 0.825,500 0.967,501 0.906,502 0.924,503 0.829,504 0.943,505 1.015,506 1.024,507 0.952,508 0.993,509 0.975,510 1.018,511 0.882,512 1.138,513 0.901,514 1.102,515 0.915,516 1.091,517 1.001,518 0.941,519 0.952,520 0.959,521 1.041,522 0.979,523 1.296,524 0.916,525 1.187,526 0.975,527 1.32,528 1.021,529 0.998,530 0.965,531 1.036,532 1.011,533 0.972,534 0.989,535 8.5,536 0.283,537 5.333,538 4.361,539 3.262,540 1.994,541 1.152,542 0.839,543 0.56,544 0.415,545 72897,546 199805,547 2.036,548 48,549 12,550 22,552 2,553 5,554 2,555 6,558 1.856,559 1.904,560 4.284,561 1.951,567 161.57,568 1.584,569 3.82,570 5.284,571 6.194,572 6.351,573 6.351,574 3.607,575 5.426,576 5.711,577 4.641,578 6394.85,579 10.106,580 161872,585 680.587,586 1.409,587 5.657,588 0.149,589 0.006,590 0.069,591 0.051,592 0.038,593 0.023,594 0.014,595 0.013,596 0.009,597 0.007,598 0.379,599 0.17,600 0.5,601 0.806,602 338.788,603 -0.069,604 -0.113,605 0.017,606 0.004,607 -0.035,608 0.024,609 0.121,610 -0.057,611 0.007,612 -0.032,613 0.15,614 -0.04,615 0.031,616 0.092,617 0.018,618 0.074,619 -0.025,620 0.052,621 -0.117,622 0.027,623 -0.064,624 -0.004,625 -0.087,626 -0.029,627 0.033,628 -0.122,629 -0.016,630 -0.103,631 0.046,632 -0.092,633 0.041,634 0.014,635 0.015,636 0.005,637 0.032,638 -0.001,639 -0.153,640 0.018,641 -0.116,643 -0.146,644 -0.044,645 -0.051,646 -0.038,647 0.013,648 -0.023,649 -0.039,650 0.011,651 2.803,652 6.334,653 0.491,654 80.688,655 1.003,656 1.131,657 2.638,658 6.96,659 0.651,660 4.06,661 4.357,662 4.615,663 4.89,664 5.136,665 5.236,666 5.328,667 5.421,668 5.442,669 5.389,670 13.848,671 0.616,672 745.4,673 4.06,674 5.595,675 6.435,676 7.307,677 8.176,678 9.062,679 9.946,680 10.841,681 11.735,682 12.637,683 5.9,685 2,690 2,691 1,693 1,698 2,699 11,700 1,704 6,705 1,706 22,723 1,724 102,726 26,727 2,728 57,730 106,731 40,733 19,734 5,735 7,739 5,740 7,741 1,748 3,751 12,753 23,754 17,756 4,761 4,765 4,772 49,773 11,774 5,775 13,776 1,779 6,784 0.6,785 6,795 1,797 1,801 1,802 3,803 1,805 1,807 1,816 1,817 1,818 2,826 2,830 2,832 3,836 1,837 1,840 53,845 2,846 14,847 3,850 2,851 1,861 1,862 5.9,864 2,865 4,869 27.833,870 17.893,871 11.889,872 6.436,874 3.954,875 1.446,876 0.943,877 15.136,878 12.816,879 4.29,880 4.822,881 5.344,882 5.92,883 6.467,884 6.768,885 7.171,886 7.558,887 7.765,888 7.941,889 0.929,890 86,891 19.842,893 8.524,894 7.883,895 37.654,897 31.072,899 2.383,900 126.278,904 517.928,905 180.063,906 75.841,907 39.149,908 185.946,911 180.063,912 743.024,913 75.841,914 8.396,915 54.903,916 121.308,917 237.503,918 38.381,919 4.901,920 494.386,921 39.149,922 517.928,923 255.904,924 185.946,925 39.149,927 447.302,928 256.573,931 110.919,932 128.2,933 55.934,935 517.928,936 261.788,937 219.211,940 517.928,941 68.285,942 116.801,943 54.032,944 241.881,945 517.928,946 261.788,947 219.211,949 0.57,950 0.325,951 0.181,952 0.107,953 31,954 16,955 0.189,956 20,957 2,958 1.154,959 6.083,960 540.296,961 0.154,962 26,963 303.58,968 40.242,969 19.934,970 11.046,971 2.27,972 259.888,973 20.837,974 4.323,978 5.562,979 2.2,980 139.399,981 998.927,982 72,987 49.394,991 -2.599,994 102.338,995 115.325,996 0.237,997 0.572,998 0.792,999 0.928,1000 0.952,1001 0.952,1002 5.527,1003 2.225,1004 6.405,1005 6.422,1006 5.043,1007 5.511,1008 3.5,1009 7.212,1010 4.985,1011 6.705,1012 2.14,1013 7.959,1014 6.093,1015 4.575,1016 5.308,1017 3.26,1018 8.148,1019 4.473,1020 7.998,1021 1.894,1022 9.622,1023 6.048,1024 6.616,1025 7.644,1026 4.772,1027 11.303,1028 6.503,1029 9.329,1030 1.856,1031 11.354,1032 4.858,1033 7.013,1034 8.33,1035 5.15,1036 13.152,1037 6.861,1038 10.699,1039 1.735,1040 13.133,1041 4.8,1042 8.508,1043 10.166,1044 6.264,1045 15.841,1046 8.339,1047 12.097,1048 1.635,1049 14.944,1050 3.763,1051 9.324,1052 11.29,1053 6.893,1054 18.066,1055 9.117,1056 13.521,1057 1.494,1058 16.781,1059 3.456,1060 10.609,1061 12.938,1062 7.856,1063 20.61,1064 10.381,1065 3.378,1066 1.471,1067 18.636,1068 3.381,1069 11.627,1070 14.285,1071 8.602,1072 22.991,1073 11.362,1074 3.178,1075 12.358,1076 20.506,1077 3.146,1078 12.838,1079 15.862,1080 9.502,1081 25.493,1082 12.547,1083 2.775,1084 11.02,1085 22.388,1086 4.755,1087 13.95,1088 17.317,1089 10.305,1090 27.939,1091 13.624,1092 2.628,1093 8.77,1094 24.28,1095 3.909,1096 15.14,1097 18.871,1098 11.18,1099 30.432,1100 14.785,1101 2.506,1102 8.706,1103 26.181,1104 3.639,1105 16.296,1106 20.378,1107 12.012,1108 32.907,1109 15.907,1110 2.383,1111 7.868,1112 28.089,1113 3.188,1114 17.483,1115 21.927,1116 12.877,1117 35.4,1118 17.064,1119 2.26,1120 6.945,1121 30.003,1122 3.095,1123 18.66,1124 23.459,1125 13.724,1126 37.888,1127 18.21,1128 68681,1129 113977,1130 37.679,1131 66.37,1132 84.299,1133 86.805,1134 86.747,1135 83.881,1136 83.599,1137 104.526,1138 20.564,1139 233.427,1140 81.033,1141 5.782,1142 5.907,1143 7.007,1144 5.395,1145 5.378,1146 7.755,1147 3.993,1148 19.863,1149 5.281,1150 30.893,1151 1.479,1152 1.523,1153 1.522,1154 1.472,1155 1.467,1156 1.834,1157 0.361,1158 4.095,1159 1.422,1160 4.178,1161 4.208,1162 4.181,1163 4.101,1164 7.477,1165 4.107,1166 4.008,1167 4.044,1168 3.949,1169 3.913,1170 7.471,1171 3.915,1172 3.819,1173 3.876,1174 3.82,1175 3.722,1176 7.429,1177 3.723,1178 3.807,1179 3.848,1180 3.705,1181 3.662,1182 7.425,1183 3.662,1184 3.762,1185 3.814,1186 3.656,1187 3.613,1188 6.352,1189 3.607,1190 3.659,1191 3.725,1192 3.618,1193 3.489,1194 6.35,1195 3.493,1196 3.588,1197 3.635,1198 3.533,1199 3.417,1200 5.026,1201 3.42,1202 3.529,1203 3.57,1204 3.476,1205 3.339,1206 4.879,1207 3.346,1208 0.084,1209 0.069,1210 0.125,1211 0.076,1212 0.059,1213 4.791,1214 0.083,1215 3.907,1216 0.042,1217 7.117,1218 0.217,1219 4.349,1220 0.058,1221 3.378,1222 4.755,1223 2.378,1224 12.358,1225 3.281,1226 1.944,1227 1.926,1228 2.045,1229 2.024,1230 1.372,1231 2.026,1232 1.923,1233 1.895,1234 2.042,1235 2.016,1236 1.353,1237 2.023,1238 1.881,1239 1.845,1240 2.005,1241 2.004,1242 1.279,1243 2.01,1244 1.793,1245 1.739,1246 1.986,1247 1.989,1248 1.177,1249 1.993,1250 1.75,1251 1.696,1252 1.944,1253 1.934,1254 1.119,1255 1.937,1256 1.674,1257 1.616,1258 1.875,1259 1.877,1260 1.097,1261 1.888,1262 1.586,1263 1.527,1264 1.812,1265 1.798,1266 1.066,1267 1.805,1268 1.507,1269 1.447,1270 1.727,1271 1.719,1272 0.932,1273 1.719,1274 4.745,1276 6.047,1277 2.398,1278 7.532,1279 5.043,1280 9.111,1281 7.368,1282 10.749,1284 2.067,1285 6.371,1289 19.289,1290 7.818,1291 9.262,1294 -1.747,1295 1.23,1300 62.834,1301 161.57,1302 389.623,1303 538.981,1304 631.832,1305 647.832,1306 647.832,1307 168.336,1308 8.862,1309 165.89,1310 165.89,1311 30,1312 13.16,1313 4.755,1314 4,1315 100.48,1316 467,1317 307,1318 0.101,1319 389.59,1320 692.15,1321 942.359,1322 145202,1323 1,1324 37.744,1325 0.712,1326 0.583,1327 38.244,1328 30.908,1329 25.634,1330 0.45,1331 0.329,1332 18.19,1333 24.431,1334 17.813,1335 14.717,1336 25.923,1337 18.76,1338 22.624,1339 0.294,1340 0.182,1341 23.033,1342 13.978,1343 18.131,1344 0.181,1345 0.1,1346 18.394,1347 10.03,1348 15.027,1349 0.114,1350 0.056,1351 15.246,1352 7.345,1353 12.57,1354 0.074,1355 0.031,1356 12.841,1357 5.276,1358 0.171,1359 163.465,1360 0.163,1361 46.726,1362 0.245,1363 268,1364 791.379,1365 308.517,1366 788.772,1367 1040.44,1368 732,1369 311,1370 713.779,1371 344.546,1372 728.77,1373 1061.42,1374 687,1375 8} {0 CHEMBL557796,1 1.456,2 8,3 2.143,4 4.594,5 53.613,6 6.664,7 0.429,8 3.415,9 3.537,10 2.85,11 2.926,12 4.525,13 2.88,14 3.928,15 4.119,16 3.058,17 3.252,18 5.083,19 3.149,20 4.198,21 4.458,22 2.907,23 3.307,24 5.086,25 3.146,26 4.131,27 4.419,28 2.696,29 3.157,30 4.96,31 2.975,32 3.968,33 4.246,34 2.592,35 3.004,36 4.846,37 2.836,38 3.816,39 4.088,40 2.485,41 2.845,42 4.753,43 2.694,44 3.614,45 3.87,46 2.365,47 2.646,48 4.657,49 2.522,50 3.367,51 3.63,52 2.353,53 2.379,54 4.568,55 2.311,56 0.022,57 0.382,58 6.517,59 2.841,60 7.071,61 3.827,62 0.148,63 0.582,64 11.362,65 4.474,66 33.672,67 6.357,68 0.164,69 0.663,70 15.414,71 5.463,72 35.433,73 7.952,74 0.172,75 0.593,76 14.572,77 4.87,78 33.712,79 7.27,80 0.15,81 0.501,82 12.361,83 4.116,84 30.171,85 6.083,86 0.14,87 0.426,88 10.66,89 3.425,90 27.975,91 5.058,92 0.127,93 0.346,94 8.737,95 2.672,96 24.072,97 3.925,98 0.054,99 0.268,100 6.731,101 1.984,102 13.765,103 2.994,104 11,105 16,106 0.289,107 0.608,108 0.761,109 0.867,110 0.895,111 0.895,112 2.726,113 1.049,114 -2.68,115 -2.7,116 -2.62,118 37.9,120 5,140 2,141 1,143 2,154 1,163 1,167 1,168 7,169 1,172 3,175 1,177 1,180 6,181 1,186 3,191 1,194 5,195 1,198 2,203 1,206 4,207 1,210 2,215 1,218 3,219 1,222 2,227 1,229 2,230 1,234 2,239 1,242 1,243 1,247 1,248 1,252 1,256 1,258 1,259 1,262 1,264 1,270 188,271 9.38,272 9.38,273 9.38,274 9.38,275 9.38,276 8.422,277 6.78,278 6.152,279 9.451,280 6.949,281 6.949,282 6.949,283 6.949,284 6.949,285 5.585,286 3.363,287 2.991,288 7.05,289 3.402,290 1.792,291 1.018,292 0.483,293 0.345,294 0.345,295 3.351,299 1,300 1,301 220,302 2.915,306 51.064,313 1.286,314 13.412,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 30.5,326 112,327 3.897,328 3.596,329 5.34,330 3.513,331 2.522,332 3.444,333 2.341,334 6.965,335 2.499,336 3.55,337 2.718,338 4.659,339 3.237,340 2.232,341 2.71,343 5.183,344 2.219,345 2.955,346 1.751,347 3.737,348 2.649,349 1.662,350 2.117,352 3.397,353 1.637,354 2.602,355 1.525,356 3.49,357 2.373,358 1.395,359 1.598,361 2.905,362 1.36,363 2.5,364 1.01,365 3.247,366 1.956,367 1,368 1.5,370 2.136,371 0.954,372 1.873,373 1,374 2.89,375 1.737,376 0.738,377 0.803,379 1.536,380 0.733,381 1.102,382 0.517,383 2.232,384 0.918,385 -0.079,386 -0.087,388 -0.173,389 -0.078,390 0.645,391 0.125,392 1.583,393 0.299,394 -0.688,395 -0.8,397 -1.47,398 -0.665,399 0.5,400 -0.414,401 1.555,402 -0.002,403 -1,404 -1.259,406 -2,407 -0.961,408 0.402,409 -0.991,410 1.075,411 -0.026,412 -1,413 -1.498,415 -2.347,416 -0.974,417 -0.037,418 -1,419 1,420 -0.204,421 -1.176,422 -1.5,424 -2.614,425 -1.179,426 -0.5,427 -1.407,428 0.767,429 -0.677,430 -1.669,431 -1.903,433 -4.077,434 -1.668,435 -0.584,436 -1.811,437 0.227,438 -0.939,439 -1.937,440 -2.124,441 -0.757,442 -4.652,443 -1.926,444 -0.904,445 -2,446 0.198,447 -1.036,448 -2,449 -3,450 -1.584,451 -4.789,452 -1.948,462 6.567,463 0.469,464 0.212,465 0.015,466 15.5,467 1.107,468 7.5,469 0.536,470 8,471 0.571,472 9.575,473 0.684,474 16.233,475 0.56,476 8.176,477 0.584,478 2.961,479 0.212,480 3.827,481 0.273,482 0.102,484 0.152,487 0.767,488 1.32,489 0.925,490 1.207,491 0.696,492 1.112,493 0.436,494 1.277,495 0.998,496 1.271,497 0.369,498 1.231,499 0.833,500 1.034,501 1.014,502 1.042,503 0.865,504 1.061,505 0.812,506 0.897,507 0.971,508 0.936,509 0.795,510 0.971,511 0.91,512 0.916,513 0.986,514 0.944,515 0.921,516 0.973,517 1.057,518 0.909,519 1.013,520 0.921,521 1.079,522 0.953,523 1.303,524 0.923,525 1.083,526 0.912,527 1.312,528 0.951,529 0.998,530 1.052,531 0.731,532 0.981,533 0.872,534 0.82,535 2,536 0.025,537 0.667,538 0.313,539 0.231,540 0.146,541 0.06,542 0.106,543 0.082,544 0.044,545 1460,546 4598,547 1.919,548 51.7,549 8,550 2,552 2,553 1,554 2,558 1.494,559 1.826,560 3.037,561 -0.235,565 1,567 42.224,568 1.456,569 3.066,570 3.84,571 4.375,572 4.513,573 4.513,574 2.503,575 3.093,576 3.78,577 3.166,578 288.139,579 6.236,580 2419.74,582 1,585 140.881,586 1.149,587 3.753,588 0.143,589 0.012,590 0.042,591 0.024,592 0.023,593 0.016,594 0.008,595 0.015,596 0.012,597 0.009,598 0.304,599 0.83,600 1,601 2.305,602 55.95,603 -0.062,604 -0.071,605 -0.012,606 -0.001,607 -0.031,608 -0.002,609 0.21,610 -0.151,611 -0.091,612 -0.178,613 0.246,614 -0.181,615 -0.069,616 -0.084,617 -0.085,618 -0.057,619 -0.082,620 -0.074,621 -0.057,622 0.016,623 -0.036,625 -0.064,626 -0.011,627 -0.074,628 -0.003,629 -0.04,630 -0.003,631 -0.092,632 -0.014,633 -0.107,634 0.007,635 -0.049,636 0.008,637 -0.134,638 -0.008,639 -0.168,640 0.008,641 -0.09,642 0.005,643 -0.175,644 -0.023,645 0.055,646 -0.117,647 0.264,648 -0.081,649 0.151,650 0.107,651 2.369,652 3.222,653 0.429,654 9.347,655 0.998,656 1.132,657 1.45,658 2.102,659 0.629,660 2.708,661 2.833,662 2.833,663 2.89,664 2.944,665 2.639,666 2.565,667 2.565,668 2.398,669 2.197,670 4.988,671 0.591,672 193.27,673 2.708,674 4.111,675 4.828,676 5.587,677 6.323,678 7.086,679 7.829,680 8.595,681 9.343,682 10.11,683 3.4,693 1,699 4,700 1,704 1,706 6,724 29,726 7,728 14,730 29,731 11,733 5,739 1,740 1,751 5,753 6,754 5,756 1,761 1,765 1,769 1,772 15,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,830 1,832 1,840 14,845 1,846 5,862 6.9,864 1,865 1,869 7.667,870 4.9,871 3.333,872 1.864,874 1.199,875 1.236,876 0.874,877 4.874,878 6.28,879 2.944,880 3.314,881 3.577,882 3.944,883 4.33,884 3.797,885 3.774,886 3.841,887 3.841,888 3.841,889 1,890 13,891 5.149,892 0.002,893 2.001,894 7.988,895 9.824,896 0.001,897 7.453,898 0.001,899 2.488,900 34.833,901 0.005,904 164.795,905 53.815,906 16.786,908 67.828,911 53.815,912 232.624,913 16.786,915 12.673,916 18.952,917 109.066,918 21.28,920 141.253,922 164.795,923 70.601,924 67.828,927 164.795,928 67.828,931 30.767,932 23.048,933 16.786,935 164.795,936 84.614,937 53.815,940 164.795,941 16.768,942 37.047,944 84.614,945 164.795,946 84.614,947 53.815,949 0.535,950 0.261,951 0.127,952 0.066,953 5,954 2,955 0.207,956 6,958 1,959 2.785,960 70.94,962 6,963 53.303,968 10.87,969 6.277,970 5.212,972 84.614,973 7.585,974 4.018,978 1.225,980 42.683,981 303.225,982 18,987 10.222,991 -0.702,994 28.942,995 32.824,996 0.3,997 0.631,998 0.791,999 0.901,1000 0.929,1001 0.929,1002 4.052,1003 -0.688,1004 4.691,1005 -0.173,1006 3.497,1007 3.989,1008 2.258,1009 5.209,1010 3.47,1011 5.143,1012 -1,1013 6.061,1014 -1.47,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.546,1020 6.339,1021 -1,1022 7.522,1023 -2,1024 4.796,1025 5.873,1026 3.628,1027 8.45,1028 4.751,1029 7.565,1030 -1.176,1031 9.039,1032 -2.347,1033 4.615,1034 5.894,1035 4.112,1036 9.602,1037 4.585,1038 8.82,1039 -1.669,1040 10.593,1041 -2.614,1042 6.319,1043 8.033,1044 5.201,1045 12.002,1046 6.257,1047 10.094,1048 -1.937,1049 12.174,1050 -4.077,1051 6.553,1052 8.422,1053 5.889,1054 13.564,1055 6.506,1056 11.384,1057 -2,1058 13.776,1059 -4.652,1060 7.955,1061 10.322,1062 6.849,1063 15.711,1064 7.876,1065 2.522,1067 15.392,1068 -4.789,1069 8.438,1070 10.934,1071 7.625,1072 17.471,1073 8.373,1074 2.232,1075 6.965,1076 17.02,1078 9.656,1079 12.676,1080 8.526,1081 19.504,1082 9.561,1083 1.662,1084 5.183,1085 18.656,1086 3.444,1087 10.297,1088 13.442,1089 9.342,1090 21.359,1091 10.211,1092 1.395,1093 3.397,1094 20.299,1095 2.71,1096 11.401,1097 15.067,1098 10.216,1099 23.34,1100 11.289,1101 1,1102 2.905,1103 21.947,1104 2.117,1105 12.143,1106 15.946,1107 11.051,1108 25.24,1109 12.036,1110 0.738,1111 2.136,1112 23.6,1113 1.598,1114 13.176,1115 17.481,1116 11.912,1117 27.198,1118 13.046,1119 -0.079,1120 1.536,1121 25.255,1122 1.5,1123 13.981,1124 18.446,1125 12.755,1126 29.12,1127 13.853,1128 1572,1129 2842,1130 9.129,1131 18.245,1132 19.325,1133 19.614,1134 19.297,1135 19.102,1136 19.099,1137 24.345,1138 4.682,1139 44.244,1140 18.801,1141 4.801,1142 5.596,1143 5.142,1144 4.549,1145 4.522,1146 6.444,1147 3.925,1148 11.754,1149 4.446,1150 6.336,1151 1.38,1152 1.401,1153 1.378,1154 1.364,1155 1.364,1156 1.739,1157 0.334,1158 3.16,1159 1.343,1160 3.908,1161 3.952,1162 3.829,1163 3.81,1164 7.474,1165 3.808,1166 3.709,1167 3.757,1168 3.587,1169 3.563,1170 6.351,1171 3.557,1172 3.422,1173 3.465,1174 3.293,1175 3.225,1176 4.895,1177 3.23,1178 3.057,1179 3.107,1180 2.896,1181 2.842,1182 4.107,1183 2.848,1184 2.774,1185 2.855,1186 2.623,1187 2.566,1188 3.835,1189 2.571,1190 2.691,1191 2.771,1192 2.499,1193 2.446,1194 3.733,1195 2.454,1196 2.403,1197 2.518,1198 2.072,1199 2.094,1200 3.381,1201 2.077,1202 2.12,1203 2.27,1204 1.794,1205 1.731,1206 2.886,1207 1.687,1208 0.278,1209 0.257,1210 0.381,1211 0.251,1212 0.18,1213 3.897,1214 0.246,1215 3.596,1216 0.167,1217 5.34,1218 0.498,1219 3.513,1220 0.178,1221 2.522,1222 3.444,1223 2.341,1224 6.965,1225 2.499,1226 1.883,1227 1.843,1228 2.048,1229 2.008,1230 1.361,1231 2.022,1232 1.694,1233 1.643,1234 1.903,1235 1.869,1236 1.083,1237 1.882,1238 1.377,1239 1.327,1240 1.634,1241 1.61,1242 0.805,1243 1.612,1244 1.004,1245 0.954,1246 1.294,1247 1.283,1248 0.466,1249 1.282,1250 0.751,1251 0.677,1252 1.058,1253 1.005,1254 0.147,1255 1.029,1256 0.645,1257 0.568,1258 0.968,1259 0.953,1261 0.966,1262 0.398,1263 0.291,1264 0.844,1265 0.755,1267 0.801,1268 0.143,1270 0.721,1271 0.567,1273 0.636,1274 3.367,1276 4.533,1278 5.866,1280 7.276,1282 8.724,1289 8.42,1290 4.066,1300 17.139,1301 42.224,1302 88.907,1303 111.372,1304 126.881,1305 130.881,1306 130.881,1307 24.481,1308 5.081,1309 50.19,1310 50.19,1311 6,1312 10.74,1313 3,1314 2.322,1315 28.369,1316 42,1317 32,1318 0.334,1319 111.97,1320 193.62,1321 264.967,1322 794,1324 10.226,1325 0.73,1326 0.582,1327 10.226,1328 8.148,1329 6.788,1330 0.485,1331 0.35,1332 4.849,1333 6.564,1334 4.753,1335 3.989,1336 6.788,1337 4.895,1338 5.536,1339 0.346,1340 0.207,1341 5.536,1342 3.316,1343 3.619,1344 0.226,1345 0.13,1346 3.619,1347 2.079,1348 2.638,1349 0.155,1350 0.078,1351 2.638,1352 1.328,1353 1.922,1354 0.107,1355 0.046,1356 1.922,1357 0.828,1358 0.541,1359 42.381,1360 0.331,1361 15.042,1362 0.853,1363 60,1364 197.53,1365 65.816,1366 189.239,1367 239.71,1368 174,1369 62,1370 156.779,1371 66.157,1372 158.609,1373 219.4,1374 148,1375 7.066} {0 CHEMBL557994,1 1.533,2 8.143,3 1.317,4 1.735,5 53.251,6 6.543,7 0.357,8 3.46,9 3.596,10 2.883,11 2.886,12 4.537,13 2.854,14 4.001,15 4.215,16 3.093,17 3.227,18 5.112,19 3.135,20 4.242,21 4.524,22 2.806,23 3.26,24 5.057,25 3.081,26 4.178,27 4.478,28 2.71,29 3.154,30 4.965,31 2.97,32 4.042,33 4.336,34 2.615,35 3.011,36 4.876,37 2.842,38 3.884,39 4.17,40 2.509,41 2.846,42 4.778,43 2.696,44 3.696,45 3.972,46 2.392,47 2.647,48 4.67,49 2.525,50 3.464,51 3.716,52 2.284,53 2.427,54 4.597,55 2.321,56 0.023,57 0.411,58 7.091,59 2.599,60 6.735,61 3.828,62 0.213,63 0.604,64 12.672,65 4.107,66 34.732,67 6.283,68 0.214,69 0.615,70 16.231,71 5.071,72 35.057,73 7.844,74 0.204,75 0.556,76 15.249,77 4.593,78 32.656,79 7.242,80 0.19,81 0.483,82 13.354,83 3.875,84 30.202,85 6.15,86 0.175,87 0.409,88 11.459,89 3.158,90 27.747,91 5.057,92 0.161,93 0.336,94 9.564,95 2.441,96 25.273,97 3.965,98 0.23,99 0.262,100 7.703,101 1.926,102 23.98,103 3.056,104 12,105 16,106 0.303,107 0.602,108 0.771,109 0.863,110 0.89,111 0.89,112 2.725,113 1.064,114 -2.48,115 -2.51,116 -2.45,118 33.3,120 5,124 1,143 1,149 1,154 1,156 1,163 1,167 1,168 4,169 1,171 1,172 2,175 1,177 1,180 3,181 1,186 2,191 1,194 2,195 1,198 3,203 1,206 1,207 1,210 3,215 1,219 1,222 3,227 1,234 1,235 1,246 1,247 1,250 1,260 1,270 190,271 9.38,272 9.38,273 9.38,274 9.38,275 9.38,276 8.552,277 7.886,278 6.152,279 9.571,280 6.949,281 6.949,282 6.949,283 6.949,284 6.949,285 5.752,286 4.393,287 2.991,288 7.242,289 3.374,290 1.859,291 1,292 0.533,293 0.4,294 0.4,295 3.347,299 1,300 1,301 225,302 3.082,305 44.993,313 1.429,314 13.198,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 31,326 114,327 3.92,328 3.596,329 5.352,330 3.458,331 2.542,332 3.479,333 2.341,334 6.997,335 2.329,336 3.55,337 2.646,338 4.659,339 3.24,340 2.235,341 2.71,343 5.184,344 2.221,345 2.822,346 1.793,347 3.773,348 2.712,349 1.72,350 1.862,352 3.494,353 1.703,354 2.589,355 1.432,356 3.44,357 2.263,358 1.308,359 1.599,361 2.736,362 1.245,363 2.118,364 1.099,365 3,366 1.879,367 0.91,368 1.017,370 1.888,371 0.877,372 2.071,373 0.631,374 3,375 1.554,376 0.618,377 0.927,379 1.372,380 0.577,381 1.352,382 0.618,383 2.427,384 1.207,385 0.221,386 0.239,388 0.466,389 0.216,390 0.669,391 0.258,392 1.857,393 0.47,394 -0.513,395 -0.548,397 -1.137,398 -0.494,399 0.386,400 -0.269,401 1.269,402 0.003,403 -1,404 -1.163,406 -2,407 -0.952,408 0.037,409 -0.852,410 1,411 -0.173,412 -1.12,413 -1.415,415 -2.526,416 -1.1,417 -0.118,418 -1.37,419 1,420 -0.549,421 -1.517,422 -1.729,424 -3.213,425 -1.456,426 -0.291,427 -1.618,428 0.67,429 -0.704,430 -1.618,431 -1.965,433 -4.138,434 -1.496,435 -0.68,436 -1.721,437 0.384,438 -0.836,439 -1.807,440 -2.427,441 -0.757,442 -4.372,443 -1.739,444 -0.925,445 -1.903,446 0.168,447 -1.023,448 -1.979,449 -2.585,450 -1.584,451 -4.751,452 -1.929,462 6.467,463 0.462,464 0.212,465 0.015,466 14.25,467 1.018,468 5.5,469 0.393,470 8.75,471 0.625,472 10.146,473 0.725,474 16.933,475 0.564,476 7.379,477 0.527,478 2.67,479 0.191,480 4.118,481 0.294,482 0.103,484 0.139,487 0.819,488 1.727,489 0.937,490 1.415,491 0.686,492 1.227,493 0.566,494 1.234,495 1.035,496 1.244,497 0.36,498 1.213,499 0.841,500 0.982,501 1.027,502 1.054,503 0.849,504 1.077,505 0.778,506 0.895,507 0.92,508 0.942,509 0.762,510 0.957,511 0.89,512 0.901,513 0.951,514 0.929,515 0.878,516 0.949,517 1.044,518 0.909,519 0.994,520 0.911,521 1.037,522 0.937,523 1.269,524 0.921,525 1.057,526 0.885,527 1.269,528 0.921,529 1.218,530 0.81,531 1.101,532 0.837,533 1.54,534 0.947,535 2,536 0.04,537 0.667,538 0.347,539 0.205,540 0.136,541 0.096,542 0.041,543 0.081,544 0.055,545 1527,546 4817,547 1.919,548 53.3,549 6,550 2,551 1,552 2,553 1,554 2,555 2,558 1.492,559 1.826,560 3.053,561 -0.166,565 1,567 45.987,568 1.533,569 3.048,570 3.907,571 4.374,572 4.507,573 4.507,574 2.468,575 2.95,576 3.781,577 3.214,578 292.433,579 6.227,580 2509.34,582 1,585 147.207,586 1.149,587 3.753,588 0.143,589 0.01,590 0.042,591 0.032,592 0.02,593 0.015,594 0.012,595 0.006,596 0.013,597 0.009,598 0.302,599 0.67,600 1,601 2.577,602 56.489,603 -0.063,604 -0.347,605 0.01,606 -0.131,607 -0.018,608 -0.064,609 0.171,610 -0.032,611 -0.095,612 -0.15,613 0.245,614 -0.165,615 -0.079,616 -0.051,617 -0.106,618 -0.066,619 -0.075,620 -0.089,621 -0.042,622 -0.008,623 -0.001,624 0.008,625 -0.044,626 0.012,627 -0.073,628 -0.009,629 -0.016,630 0.008,631 -0.074,632 0.008,633 -0.115,634 -0.012,635 -0.037,636 0.009,637 -0.115,638 0.003,639 -0.176,640 -0.015,641 -0.068,642 0.009,643 -0.173,644 -0.004,645 0.112,646 0.112,647 -0.072,648 0.049,649 -0.165,650 -0.048,651 2.361,652 3.206,653 0.357,654 9.571,655 1.001,656 1.144,657 1.253,658 1.57,659 0.608,660 2.708,661 2.833,662 2.833,663 2.89,664 2.639,665 2.565,666 2.485,667 2.398,668 2.398,669 2.197,670 5.202,671 0.572,672 196.28,673 2.708,674 4.111,675 4.828,676 5.587,677 6.323,678 7.086,679 7.83,680 8.595,681 9.346,682 10.113,683 6.7,691 1,693 1,699 3,700 1,705 1,706 5,724 30,726 6,728 14,730 30,731 10,733 3,739 1,740 1,751 5,753 4,754 6,756 1,761 1,765 1,769 1,772 16,773 3,774 1,775 4,778 1,779 2,784 1,785 2,801 1,818 1,830 1,832 1,840 14,845 1,846 6,862 6.7,864 1,865 1,869 7.667,870 5.017,871 3.333,872 1.944,874 0.9,875 1.179,876 0.868,877 5.121,878 5.923,879 2.918,880 3.268,881 3.508,882 3.862,883 3.446,884 3.414,885 3.38,886 3.346,887 3.446,888 3.446,889 1,890 11,891 5.152,892 0.002,893 1.995,894 7.976,895 9.866,896 0.001,897 7.469,898 0.001,899 2.476,900 34.667,901 0.005,904 176.567,905 42.402,906 18.685,908 67.828,911 42.402,912 244.395,913 18.685,915 14.778,916 9.047,917 117.684,918 10.947,919 11.771,920 141.253,922 176.567,923 61.086,924 67.828,927 153.024,928 91.37,931 34.343,932 9.957,933 16.786,935 176.567,936 86.513,937 42.402,940 176.567,941 15.688,942 28.613,944 84.614,945 176.567,946 86.513,947 42.402,949 0.535,950 0.261,951 0.127,952 0.05,953 5,954 2,955 0.233,956 7,958 1,959 2.824,960 69.878,962 5,963 53.303,968 11.09,969 6.464,970 5.388,972 84.614,973 5.513,974 3.946,979 2.039,980 42.683,981 305.481,982 17.5,987 10.206,991 -0.695,994 30.043,995 34.322,996 0.312,997 0.621,998 0.796,999 0.891,1000 0.918,1001 0.918,1002 4.03,1003 -0.513,1004 4.691,1005 0.466,1006 3.497,1007 3.942,1008 2.258,1009 5.209,1010 3.415,1011 5.111,1012 -1,1013 6.061,1014 -1.137,1015 2.565,1016 3.277,1017 2.243,1018 5.46,1019 2.41,1020 6.305,1021 -1.12,1022 7.522,1023 -2,1024 4.796,1025 5.802,1026 3.628,1027 8.45,1028 4.616,1029 7.534,1030 -1.517,1031 9.04,1032 -2.526,1033 4.71,1034 6.084,1035 4.112,1036 9.649,1037 4.411,1038 8.797,1039 -1.618,1040 10.596,1041 -3.213,1042 6.319,1043 7.947,1044 5.201,1045 12.008,1046 6.02,1047 10.081,1048 -1.807,1049 12.181,1050 -4.138,1051 6.666,1052 8.683,1053 5.889,1054 13.616,1055 6.224,1056 11.383,1057 -1.979,1058 13.786,1059 -4.372,1060 7.966,1061 10.242,1062 6.849,1063 15.731,1064 7.528,1065 2.542,1067 15.406,1068 -4.751,1069 8.552,1070 11.213,1071 7.625,1072 17.524,1073 7.963,1074 2.235,1075 6.997,1076 17.037,1078 9.687,1079 12.621,1080 8.526,1081 19.538,1082 9.094,1083 1.72,1084 5.184,1085 18.676,1086 3.479,1087 10.412,1088 13.718,1089 9.342,1090 21.415,1091 9.668,1092 1.308,1093 3.494,1094 20.322,1095 2.71,1096 11.456,1097 15.049,1098 10.216,1099 23.388,1100 10.695,1101 0.91,1102 2.736,1103 21.973,1104 1.862,1105 12.261,1106 16.214,1107 11.051,1108 25.303,1109 11.357,1110 0.618,1111 1.888,1112 23.628,1113 1.599,1114 13.254,1115 17.504,1116 11.912,1117 27.259,1118 12.318,1119 0.221,1120 1.372,1121 25.287,1122 1.017,1123 14.107,1124 18.706,1125 12.755,1126 29.19,1127 13.036,1128 1636,1129 2963,1130 9.129,1131 18.25,1132 19.342,1133 19.288,1134 19.303,1135 19.126,1136 19.107,1137 23.665,1138 4.682,1139 44.274,1140 18.334,1141 4.845,1142 5.499,1143 5.185,1144 4.481,1145 4.521,1146 6.064,1147 3.925,1148 11.749,1149 4.258,1150 6.371,1151 1.382,1152 1.378,1153 1.379,1154 1.366,1155 1.365,1156 1.69,1157 0.334,1158 3.162,1159 1.31,1160 3.939,1161 4.008,1162 3.867,1163 3.743,1164 7.474,1165 3.761,1166 3.735,1167 3.789,1168 3.605,1169 3.578,1170 6.351,1171 3.577,1172 3.479,1173 3.525,1174 3.348,1175 3.287,1176 4.953,1177 3.29,1178 3.137,1179 3.193,1180 2.966,1181 2.892,1182 4.129,1183 2.902,1184 2.758,1185 2.843,1186 2.526,1187 2.465,1188 3.813,1189 2.47,1190 2.486,1191 2.586,1192 2.264,1193 2.281,1194 3.447,1195 2.266,1196 2.384,1197 2.508,1198 2.103,1199 2.037,1200 3.318,1201 2.034,1202 2.143,1203 2.287,1204 1.825,1205 1.767,1206 3.008,1207 1.753,1208 0.28,1209 0.257,1210 0.382,1211 0.247,1212 0.182,1213 3.92,1214 0.248,1215 3.596,1216 0.167,1217 5.352,1218 0.5,1219 3.458,1220 0.166,1221 2.542,1222 3.479,1223 2.341,1224 6.997,1225 2.329,1226 1.789,1227 1.729,1228 2.026,1229 1.968,1230 1.375,1231 1.988,1232 1.598,1233 1.538,1234 1.819,1235 1.822,1236 1.105,1237 1.821,1238 1.351,1239 1.296,1240 1.572,1241 1.581,1242 0.756,1243 1.577,1244 1.27,1245 1.201,1246 1.463,1247 1.523,1248 0.49,1249 1.509,1250 0.979,1251 0.917,1252 1.274,1253 1.283,1254 0.333,1255 1.28,1256 0.626,1257 0.541,1258 1.024,1259 0.985,1260 0.145,1261 1.007,1262 0.318,1263 0.19,1264 0.821,1265 0.724,1267 0.778,1268 0.09,1270 0.7,1271 0.525,1273 0.599,1274 3.367,1276 4.533,1277 2.398,1278 5.832,1279 4.443,1280 7.195,1281 6.26,1282 8.598,1289 8.408,1290 5.25,1300 17.16,1301 45.987,1302 91.432,1303 117.207,1304 131.207,1305 135.207,1306 135.207,1307 24.025,1308 5.024,1309 55.12,1310 55.12,1311 5,1312 10.742,1313 2.807,1314 2.17,1315 28.463,1316 44,1317 32,1318 0.316,1319 112.099,1320 189.96,1321 265.282,1322 740,1324 10.226,1325 0.73,1326 0.587,1327 10.226,1328 8.225,1329 6.788,1330 0.485,1331 0.355,1332 4.889,1333 6.462,1334 4.813,1335 4.036,1336 6.788,1337 4.964,1338 5.536,1339 0.346,1340 0.21,1341 5.536,1342 3.358,1343 3.619,1344 0.226,1345 0.132,1346 3.619,1347 2.116,1348 2.638,1349 0.155,1350 0.079,1351 2.638,1352 1.343,1353 1.434,1354 0.11,1355 0.057,1356 1.434,1357 0.743,1358 0.52,1359 42.993,1360 0.331,1361 15.191,1362 0.791,1363 60,1364 205.175,1365 67.953,1366 193.482,1367 245.18,1368 178,1369 62,1370 162.596,1371 68.682,1372 162.516,1373 225.34,1374 151,1375 7.409} {0 CHEMBL56059,1 1.46,2 6.688,3 1.965,4 3.863,5 63.302,6 7.143,7 0.556,8 3.516,9 3.632,10 3.076,11 3.062,12 4.539,13 3.04,14 4.059,15 4.237,16 3.379,17 3.46,18 4.992,19 3.407,20 4.231,21 4.457,22 3.195,23 3.506,24 5.016,25 3.38,26 4.196,27 4.432,28 3.073,29 3.423,30 4.992,31 3.278,32 4.119,33 4.392,34 2.834,35 3.216,36 4.832,37 3.054,38 3.916,39 4.189,40 2.845,41 3.057,42 4.682,43 2.938,44 3.774,45 4.025,46 2.777,47 2.971,48 4.667,49 2.868,50 3.587,51 3.849,52 2.316,53 2.588,54 4.502,55 2.444,56 0.013,57 0.437,58 6.46,59 2.762,60 5.403,61 3.697,62 0.123,63 0.719,64 12.228,65 4.601,66 10.745,67 6.27,68 0.127,69 0.773,70 15.281,71 6.087,72 12.588,73 8.395,74 0.103,75 0.742,76 14.808,77 5.873,78 14.078,79 8.225,80 0.139,81 0.665,82 14.401,83 5.097,84 13.574,85 7.362,86 0.169,87 0.556,88 11.775,89 3.953,90 11.017,91 5.821,92 0.083,93 0.498,94 9.821,95 3.369,96 11.386,97 4.911,98 0.147,99 0.377,100 8.539,101 2.674,102 14.468,103 3.86,105 24,106 0.278,107 0.671,108 0.859,109 0.884,110 0.884,111 0.884,112 2.853,113 0.941,114 -3.15,115 -3.14,116 -3.02,118 43.3,120 3,124 1,133 1,134 1,140 1,141 1,143 1,149 2,150 1,156 1,168 6,171 1,172 4,180 7,186 3,194 6,198 5,206 2,210 3,221 1,222 3,234 2,246 1,247 1,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.811,277 12.877,278 6.856,279 11.461,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.77,286 15.06,287 3.252,288 9.199,289 3.447,290 1.384,291 0.4,292 0.267,293 0.267,294 0.267,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 6.84,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 107,327 4.397,328 3.2,329 6.512,330 4.046,331 3.047,332 4.01,333 0.522,334 10.216,335 3.045,336 3.926,337 2.706,338 5.374,339 3.459,340 2.541,341 3.485,343 7.037,344 2.338,345 3.515,346 2.342,347 5.172,348 3.081,349 2.087,350 2.795,352 6.181,353 2.068,354 2.756,355 1.67,356 4.128,357 2.548,358 1.548,359 1.817,361 3.687,362 1.548,363 2.665,364 1.522,365 3.557,366 2.25,367 1.311,368 1.721,370 2.841,371 1.23,372 2.387,373 1.046,374 3.405,375 2,376 1,377 1.33,379 2.235,380 1,381 2.171,382 0.914,383 3.237,384 1.769,385 0.79,386 1.055,388 1.907,389 0.772,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.509,400 0.531,401 2.829,402 1.297,403 0.316,404 0.369,406 0.749,407 0.309,408 0.831,409 -0.321,410 2.352,411 0.515,412 -0.466,413 -0.56,415 -1.154,416 -0.456,417 0.21,418 -0.702,419 2.07,421 -1,422 -1.113,424 -2.424,425 -1,426 0.148,427 -0.926,428 1.674,429 -0.135,430 -1.086,431 -1.268,433 -2.63,434 -1.032,435 -0.087,436 -1.469,437 1.497,438 -0.579,439 -1.567,440 -2.026,442 -3.963,443 -1.469,444 -0.118,445 -1.589,446 1,447 -0.669,448 -1.618,449 -2.301,451 -4.372,452 -1.533,453 -0.213,454 -1.618,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.619,462 7.633,463 0.477,464 0.239,465 0.015,466 20.25,467 1.266,468 9.5,469 0.594,470 10.75,471 0.672,472 10.573,473 0.661,474 16.967,475 0.566,476 10.636,477 0.665,478 3.951,479 0.247,480 3.982,481 0.249,484 0.249,487 0.862,488 1.399,489 0.785,490 1.145,491 0.642,492 0.986,493 1.142,494 0.956,495 0.987,496 0.955,497 0.944,498 0.943,499 0.988,500 0.965,501 1.063,502 1.063,503 0.989,504 1.078,505 0.847,506 1.118,507 1.088,508 1.195,509 0.978,510 1.183,511 1.016,512 1.016,513 1.04,514 1.012,515 1.01,516 1.031,517 0.884,518 0.848,519 0.838,520 0.761,521 0.807,522 0.788,523 0.96,524 0.996,525 0.946,526 0.953,527 0.975,528 0.933,529 1.377,530 1.068,531 1.201,532 1.089,533 1.564,534 1.122,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 5248,547 2.213,548 46.7,549 4,550 4,551 2,552 2,554 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,564 1,565 1,567 43.798,568 1.46,569 3.523,570 4.507,571 4.64,572 4.64,573 4.64,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,582 1,584 1,585 147.207,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.021,604 -0.268,605 0.089,606 -0.119,607 0.192,608 -0.025,609 -0.075,610 0.141,611 -0.055,612 0.017,613 -0.02,614 -0.007,615 -0.104,616 -0.021,617 -0.123,618 -0.059,619 -0.136,620 -0.088,621 -0.05,622 -0.188,623 -0.151,624 -0.199,625 -0.108,626 -0.191,627 -0.08,628 -0.111,629 -0.054,630 -0.057,631 -0.119,632 -0.056,633 0.11,634 0.096,635 0.163,636 0.179,637 0.096,638 0.174,639 -0.047,640 -0.003,641 0.028,642 -0.014,643 0.076,644 0.019,645 0.063,646 -0.142,647 -0.165,648 -0.187,649 -0.033,650 -0.205,651 0.611,652 1.963,653 0.875,654 8.625,655 0.994,656 1.123,657 1.917,658 3.674,659 0.668,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.631,672 214.29,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 6.7,691 1,693 1,699 5,700 1,702 1,704 2,705 1,706 10,724 30,726 11,728 18,730 32,731 13,733 7,736 2,739 3,740 4,748 3,751 3,753 9,754 4,756 1,763 1,765 1,769 1,771 1,772 14,773 2,775 3,778 1,779 2,784 0.667,785 1,801 2,802 1,805 1,822 1,823 1,832 2,840 16,846 4,862 3.3,867 1,869 7.333,870 5.317,871 3.556,872 1.894,874 2.238,875 1.362,876 1.013,877 2.564,878 8.42,879 3.219,880 3.773,881 4.327,882 4.855,883 4.895,884 5.188,885 5.496,886 5.814,887 6.042,888 6.236,889 1,890 19,891 5.898,893 2.461,894 7.469,895 11.651,897 9.657,899 1.969,900 31.5,901 0.006,904 164.795,905 78.935,906 18.685,908 9.507,911 78.935,912 174.303,913 18.685,915 9.709,916 39.739,917 48.946,918 26.825,919 28.991,920 117.711,922 164.795,923 97.619,924 9.507,927 164.795,928 9.507,931 29.274,932 42.083,933 26.262,935 164.795,936 28.192,937 78.935,940 164.795,941 21.529,942 59.305,944 26.293,945 164.795,946 28.192,947 78.935,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.063,956 2,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,968 9.761,969 4.202,970 1.952,972 26.293,973 9.504,974 4.035,976 5.463,978 2.439,979 2.071,981 271.922,982 24,989 2.273,991 1.406,994 29.833,995 33.697,996 0.298,997 0.718,998 0.918,999 0.946,1000 0.946,1001 0.946,1002 4.413,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.454,1008 0.434,1009 5.979,1010 3.839,1011 5.583,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 3.98,1018 6.783,1019 3.152,1020 6.861,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.573,1026 0.138,1027 9.892,1028 5.326,1029 8.184,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 7.099,1036 11.626,1037 5.614,1038 9.544,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 8.972,1044 0.039,1045 14.203,1046 7.138,1047 10.93,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 9.946,1054 16.29,1055 7.875,1056 12.334,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 11.527,1062 0.011,1063 18.703,1064 9.144,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 12.712,1072 20.93,1073 10.088,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 14.171,1080 0.003,1081 23.288,1082 11.258,1083 2.087,1084 7.037,1085 20.801,1086 4.01,1087 12.373,1088 15.457,1090 25.571,1091 12.295,1092 1.548,1093 6.181,1094 22.64,1095 3.485,1096 13.501,1097 16.865,1098 0.001,1099 27.909,1100 13.427,1101 1.311,1102 3.687,1103 24.486,1104 2.795,1105 14.57,1106 18.198,1108 30.215,1109 14.506,1110 1,1111 2.841,1112 26.336,1113 1.817,1114 15.684,1115 19.587,1117 32.544,1118 15.625,1119 0.79,1120 2.235,1121 28.191,1122 1.721,1123 16.774,1124 20.944,1126 34.861,1127 16.722,1128 2117,1129 3323,1130 12.712,1131 20.034,1132 26.886,1133 26.66,1134 26.431,1135 26.508,1136 26.513,1137 35.016,1138 1.043,1139 72.45,1140 25.775,1141 5.339,1142 5.121,1143 6.145,1144 5.086,1145 5.047,1146 6.733,1147 1.043,1148 16.997,1149 5.045,1151 1.494,1152 1.481,1153 1.468,1154 1.473,1155 1.473,1156 1.945,1157 0.058,1158 4.025,1159 1.432,1160 4.036,1161 4.066,1162 3.979,1163 3.925,1164 5.066,1165 3.933,1166 3.887,1167 3.942,1168 3.83,1169 3.68,1170 4.952,1171 3.711,1172 3.472,1173 3.514,1174 3.356,1175 3.317,1176 4.277,1177 3.32,1178 3.292,1179 3.36,1180 3.128,1181 3.165,1182 3.845,1183 3.147,1184 2.845,1185 2.94,1186 2.643,1187 2.654,1188 3.586,1189 2.635,1190 2.539,1191 2.63,1192 2.342,1193 2.371,1194 3.358,1195 2.353,1196 2.456,1197 2.556,1198 2.255,1199 2.259,1200 3.252,1201 2.245,1202 2.203,1203 2.275,1204 2.041,1205 1.87,1206 3.116,1207 1.889,1208 0.244,1209 0.178,1210 0.362,1211 0.225,1212 0.169,1213 4.397,1214 0.223,1215 3.2,1216 0.029,1217 6.512,1218 0.568,1219 4.046,1220 0.169,1221 3.047,1222 4.01,1223 0.522,1224 10.216,1225 3.045,1226 1.887,1227 1.855,1228 2.04,1229 2,1230 1.353,1231 2.014,1232 1.577,1233 1.513,1234 1.772,1235 1.802,1236 0.992,1237 1.796,1238 1.391,1239 1.358,1240 1.574,1241 1.597,1242 0.669,1243 1.582,1244 1.301,1245 1.236,1246 1.485,1247 1.526,1248 0.598,1249 1.515,1250 1.115,1251 1.057,1252 1.354,1253 1.296,1254 0.448,1255 1.323,1256 1.043,1257 1,1258 1.266,1259 1.283,1260 0.285,1261 1.283,1262 0.667,1263 0.57,1264 1.036,1265 0.946,1266 0.14,1267 0.989,1268 0.167,1269 0.039,1270 0.672,1271 0.519,1273 0.581,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 4.308,1300 18.918,1301 43.798,1302 105.697,1303 135.207,1304 139.207,1305 139.207,1306 139.207,1307 14.453,1308 6.182,1309 30.96,1310 30.96,1311 16,1312 11.846,1313 3.585,1314 2.807,1315 21.891,1316 41,1317 34,1318 0.263,1319 116.239,1320 192.17,1321 275.382,1322 3422,1324 10.795,1325 0.675,1326 0.568,1327 10.795,1328 9.095,1329 7.933,1330 0.441,1331 0.314,1332 5.573,1333 7.623,1334 5.472,1335 4.519,1336 7.933,1337 5.648,1338 6.774,1339 0.282,1340 0.171,1341 6.774,1342 4.1,1343 5.894,1344 0.184,1345 0.095,1346 5.894,1347 3.049,1348 5.008,1349 0.122,1350 0.054,1351 5.008,1352 2.217,1353 3.26,1354 0.08,1355 0.034,1356 3.26,1357 1.387,1358 0.402,1359 49.617,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 223.026,1365 91.068,1366 214.686,1367 300.81,1368 204,1369 98,1370 227.293,1371 105.679,1372 229.157,1373 331.84,1374 216,1375 5.387} {0 CHEMBL56418,1 1.568,2 14.367,3 2.156,4 4.648,5 114.126,6 7.74,7 0.364,8 4.054,9 4.165,10 3.656,11 3.602,12 5.203,13 3.595,14 4.573,15 4.734,16 3.991,17 3.976,18 5.698,19 3.948,20 4.811,21 5.006,22 4.08,23 4.103,24 5.93,25 4.059,26 4.856,27 5.068,28 3.978,29 4.039,30 6.032,31 3.978,32 4.772,33 4.998,34 3.834,35 3.954,36 5.846,37 3.879,38 4.69,39 4.911,40 3.788,41 3.863,42 5.928,43 3.78,44 4.595,45 4.82,46 3.644,47 3.764,48 5.657,49 3.684,50 4.527,51 4.746,52 3.543,53 3.665,54 5.662,55 3.597,56 0.037,57 0.76,58 9.653,59 4.544,60 7.899,61 5.696,62 0.297,63 1.214,64 18.755,65 7.446,66 25.639,67 9.639,68 0.251,69 1.467,70 25.488,71 9.67,72 38.397,73 12.842,74 0.557,75 1.467,76 28.407,77 9.685,78 70.118,79 12.828,80 0.354,81 1.329,82 26.504,83 9.376,84 54.877,85 12.55,86 0.623,87 1.224,88 24.41,89 8.601,90 86.902,91 11.778,92 0.29,93 1.119,94 22.005,95 7.862,96 40.996,97 10.571,98 0.357,99 1.025,100 20.931,101 6.877,102 51.884,103 8.948,104 11,105 45,106 0.259,107 0.648,108 0.834,109 0.903,110 0.903,111 0.903,112 3.44,113 0.893,114 -3.54,115 -3.52,116 -3.35,118 44.2,120 3,123 1,124 1,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 9,171 2,172 12,175 1,177 2,180 8,186 9,191 2,194 4,197 3,198 12,201 1,203 2,206 6,210 3,215 1,218 7,221 4,222 4,225 2,227 2,229 7,234 4,237 1,239 2,242 4,247 7,252 2,255 4,258 1,259 5,267 5,270 1604,271 20.646,272 20.646,273 20.646,274 20.646,275 20.646,276 18.491,277 26.305,278 12.354,279 21.058,280 16.238,281 16.238,282 16.238,283 16.238,284 16.238,285 12.723,286 30.773,287 5.83,288 16.773,289 4.133,290 1.786,291 0.661,292 0.245,293 0.245,294 0.245,295 4.14,299 1,300 1,301 938,302 3.606,306 324.931,310 238.009,313 2.324,314 32.243,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 65,326 431,327 4.551,328 3.805,329 6.785,330 4.201,331 3.233,332 4.137,333 1.257,334 11.113,335 3.131,336 4.183,337 3.548,338 6.126,339 3.801,340 2.806,341 3.621,342 1.058,343 8.942,344 2.791,345 3.897,346 2.939,347 5.879,348 3.513,349 2.533,350 3.444,351 0.86,352 8.046,353 2.498,354 3.849,355 2.879,356 5.395,357 3.49,358 2.519,359 3.181,360 0.78,361 6.965,362 2.418,363 3.616,364 2.718,365 5.34,366 3.186,367 2.219,368 2.893,369 0.219,370 6.817,371 2.136,372 3.329,373 2.457,374 5.104,375 2.94,376 1.992,377 2.51,379 5.972,380 1.876,381 2.988,382 1.952,383 4.252,384 2.726,385 1.751,386 2.121,388 4.026,389 1.706,390 2.932,391 1.803,392 4.137,393 2.478,394 1.511,395 1.963,397 3.433,398 1.457,399 2.753,400 1.567,401 3.736,402 2.294,403 1.302,404 1.777,406 3.317,407 1.288,408 2.57,409 1.552,410 3.598,411 2.228,412 1.239,413 1.533,415 2.818,416 1.221,417 2.5,418 1.361,419 3.497,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.477,427 1.065,428 3.247,429 1.882,430 0.884,431 1.259,433 2.13,434 0.872,435 1.873,436 1.034,437 3.052,438 1.671,439 0.678,440 0.769,442 1.464,443 0.669,444 1.687,445 1,446 2.904,447 1.335,448 0.453,449 0.523,451 0.714,452 0.395,453 1.637,454 0.609,455 2.867,456 1.065,457 0.075,458 0.104,460 0.194,461 0.073,462 14.1,463 0.47,464 0.606,465 0.02,466 40.25,467 1.342,468 20.5,469 0.683,470 19.75,471 0.658,472 22.835,473 0.761,474 31.5,475 0.606,476 30.778,477 1.026,478 8.069,479 0.269,480 6.583,481 0.219,482 0.083,484 0.312,487 0.727,488 1.338,489 0.733,490 1.091,491 0.543,492 0.94,493 0.849,494 1.066,495 0.867,496 0.954,497 0.608,498 0.919,499 0.945,500 1.181,501 0.876,502 1.054,503 0.84,504 0.967,505 1.151,506 0.944,507 1.064,508 0.969,509 1.365,510 0.993,511 1.119,512 0.995,513 1.003,514 0.988,515 1.32,516 0.975,517 0.707,518 0.93,519 0.966,520 0.997,521 0.887,522 1.022,523 1.04,524 1.044,525 1.026,526 1.073,527 1.065,528 1.049,529 1.482,530 0.973,531 1.186,532 0.967,533 1.566,534 1.01,535 5,536 0.103,537 3.111,538 1.75,539 1.813,540 0.931,541 0.585,542 0.342,543 0.275,544 0.192,545 13735,546 37202,547 2.107,548 42.3,549 4,550 12,551 1,552 2,553 1,555 2,558 1.722,559 2,560 3.762,561 -0.349,562 1,563 1,567 81.519,568 1.568,569 3.914,570 5.04,571 5.455,572 5.455,573 5.455,574 3.289,575 4.574,576 4.871,577 3.946,578 1716.65,579 8.465,580 25072.3,582 1,584 1,585 296.423,586 1.295,587 4.851,588 0.152,589 0.004,590 0.069,591 0.036,592 0.044,593 0.026,594 0.018,595 0.012,596 0.011,597 0.008,598 0.38,599 0.33,600 1,601 0.659,602 157.846,603 -0.034,604 -0.197,605 0.054,606 -0.075,607 -0.021,608 -0.01,609 0.041,610 0.025,611 0.017,612 0.027,613 0.035,614 0.015,615 -0.052,616 -0.163,617 0.061,618 -0.069,619 0.026,620 0.003,621 -0.013,622 0.06,623 -0.066,624 -0.016,625 -0.061,626 -0.044,627 -0.112,628 -0.033,629 -0.004,630 -0.009,631 -0.12,632 0.013,633 0.333,634 0.043,635 0.035,636 -0.025,637 0.257,638 -0.045,639 -0.062,640 -0.076,641 -0.031,642 -0.097,643 -0.043,644 -0.064,645 -0.249,646 0.003,647 -0.163,648 -0.016,649 -0.164,650 -0.06,651 1.885,652 5.842,653 0.667,654 37.893,655 1.007,656 1.122,657 2.311,658 5.339,659 0.678,660 3.526,661 3.829,662 4.111,663 4.357,664 4.635,665 4.736,666 4.868,667 4.997,668 5.136,669 5.118,670 8.085,671 0.653,672 402.49,673 3.526,674 5.056,675 5.905,676 6.774,677 7.643,678 8.524,679 9.404,680 10.292,681 11.18,682 12.074,683 7.7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,722 1,724 52,726 17,727 1,728 33,730 55,731 23,733 11,734 3,735 3,736 7,739 4,740 7,751 3,753 18,754 5,756 5,761 2,763 3,764 1,765 4,769 1,772 22,773 7,774 1,775 7,779 4,781 1,784 0.5,785 3,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 1,840 30,846 4,847 1,848 1,851 1,862 5.8,865 2,867 1,869 15,870 9.683,871 6.722,872 3.136,874 3.224,875 1.408,876 0.989,877 6.057,878 11.116,879 3.807,880 4.344,881 4.913,882 5.434,883 5.984,884 6.261,885 6.612,886 6.986,887 7.401,888 7.637,889 0.9,890 48,891 11.112,893 4.737,894 7.811,895 21.026,897 17.052,899 2.311,900 69.333,904 247.193,905 143.362,906 54.706,908 61.29,911 143.362,912 308.483,913 54.706,914 10.883,915 39.892,916 66.334,917 102.355,918 63.437,919 11.771,920 211.88,922 247.193,923 198.069,924 61.29,927 223.651,928 84.832,931 65.725,932 96.606,933 35.738,935 247.193,936 115.996,937 143.362,940 247.193,941 39.003,942 107.483,943 18.011,944 94.861,945 247.193,946 115.996,947 143.362,949 0.572,950 0.339,951 0.18,952 0.1,953 21,954 9,955 0.127,956 7,957 2,958 1.2,959 4.297,960 258.48,961 0.2,962 20,963 147.207,968 20.056,969 9.06,970 4.524,972 115.996,973 12.722,974 4.102,978 2.861,980 18.011,981 506.551,982 44,987 25.348,989 4.899,990 4.509,991 0.476,994 52.342,995 58.358,996 0.275,997 0.687,998 0.884,999 0.957,1000 0.957,1001 0.957,1002 5.037,1003 1.511,1004 5.872,1005 4.026,1006 4.511,1007 5.03,1008 2.202,1009 6.668,1010 4.454,1011 6.226,1012 1.302,1013 7.42,1014 3.433,1015 4.007,1016 4.691,1017 0.325,1018 7.542,1019 3.94,1020 7.52,1021 1.239,1022 9.071,1023 3.317,1024 6.084,1025 7.142,1026 2.265,1027 10.66,1028 5.975,1029 8.849,1030 1,1031 10.784,1032 2.818,1033 6.431,1034 7.627,1035 0.766,1036 12.379,1037 6.309,1038 10.212,1039 0.884,1040 12.538,1041 2.136,1042 7.945,1043 9.526,1044 2.418,1045 15.021,1046 7.786,1047 11.598,1048 0.678,1049 14.321,1050 2.13,1051 8.701,1052 10.414,1053 1.259,1054 17.105,1055 8.524,1056 13.002,1057 0.453,1058 16.124,1059 1.464,1060 9.984,1061 12.064,1062 2.637,1063 19.587,1064 9.775,1065 3.233,1066 0.075,1067 17.943,1068 0.714,1069 10.944,1070 13.173,1071 1.765,1072 21.839,1073 10.71,1074 2.806,1075 11.113,1076 19.775,1077 0.194,1078 12.137,1079 14.698,1080 2.909,1081 24.265,1082 11.871,1083 2.533,1084 8.942,1085 21.617,1086 4.137,1087 13.197,1088 15.933,1089 2.27,1090 26.597,1091 12.902,1092 2.519,1093 8.046,1094 23.468,1095 3.621,1096 14.358,1097 17.396,1098 3.223,1099 29.005,1100 14.031,1101 2.219,1102 6.965,1103 25.327,1104 3.444,1105 15.469,1106 18.703,1107 2.771,1108 31.374,1109 15.109,1110 1.992,1111 6.817,1112 27.192,1113 3.181,1114 16.622,1115 20.136,1116 3.57,1117 33.778,1118 16.229,1119 1.751,1120 5.972,1121 29.063,1122 2.893,1123 17.758,1124 21.487,1125 3.266,1126 36.166,1127 17.331,1128 12951,1129 21499,1130 22.364,1131 35.239,1132 49.681,1133 51.033,1134 50.02,1135 48.353,1136 48.388,1137 62.673,1138 8.348,1139 136.173,1140 46.971,1141 5.487,1142 5.805,1143 6.587,1144 5.274,1145 5.233,1146 7.137,1147 2.38,1148 18.657,1149 5.131,1150 12.507,1151 1.505,1152 1.546,1153 1.516,1154 1.465,1155 1.466,1156 1.899,1157 0.253,1158 4.126,1159 1.423,1160 4.038,1161 4.066,1162 4.009,1163 3.929,1164 7.431,1165 3.943,1166 3.901,1167 3.945,1168 3.826,1169 3.804,1170 7.425,1171 3.803,1172 3.787,1173 3.816,1174 3.736,1175 3.685,1176 4.925,1177 3.693,1178 3.622,1179 3.687,1180 3.495,1181 3.471,1182 4.889,1183 3.463,1184 3.386,1185 3.427,1186 3.305,1187 3.162,1188 4.679,1189 3.194,1190 3.269,1191 3.324,1192 3.169,1193 3.056,1194 4.337,1195 3.076,1196 3.105,1197 3.153,1198 2.982,1199 2.94,1200 4.189,1201 2.936,1202 3.082,1203 3.148,1204 2.908,1205 2.839,1206 4.037,1207 2.842,1208 0.138,1209 0.115,1210 0.206,1211 0.127,1212 0.098,1213 4.551,1214 0.125,1215 3.805,1216 0.038,1217 6.785,1218 0.337,1219 4.201,1220 0.095,1221 3.233,1222 4.137,1223 1.257,1224 11.113,1225 3.131,1226 1.961,1227 1.939,1228 2.04,1229 2.089,1230 1.324,1231 2.069,1232 1.88,1233 1.84,1234 2.022,1235 2.006,1236 1.13,1237 2.017,1238 1.754,1239 1.728,1240 1.877,1241 1.892,1242 1.005,1243 1.887,1244 1.616,1245 1.553,1246 1.82,1247 1.79,1248 0.929,1249 1.804,1250 1.292,1251 1.247,1252 1.571,1253 1.563,1254 0.686,1255 1.556,1256 1.215,1257 1.159,1258 1.519,1259 1.483,1260 0.576,1261 1.5,1262 1.073,1263 1.019,1264 1.268,1265 1.286,1266 0.332,1267 1.278,1268 1.034,1269 0.974,1270 1.203,1271 1.266,1272 0.259,1273 1.259,1274 4.205,1276 5.509,1278 7.024,1280 8.639,1282 10.312,1284 1.568,1290 3.325,1291 2.915,1292 5.2,1295 1.409,1300 33.971,1301 81.519,1302 203.54,1303 262.058,1304 283.668,1305 283.668,1306 283.668,1307 55.893,1308 7.892,1309 85.59,1310 85.59,1311 24,1312 12.602,1313 4.17,1314 3.585,1315 47.496,1316 144,1317 154,1318 0.158,1319 208.785,1320 376.55,1321 501.196,1322 32793,1324 20.924,1325 0.697,1326 0.556,1327 20.924,1328 16.668,1329 14.652,1330 0.444,1331 0.298,1332 9.683,1333 14.07,1334 9.475,1335 7.879,1336 14.652,1337 9.828,1338 12.722,1339 0.283,1340 0.156,1341 12.722,1342 7.02,1343 11.073,1344 0.185,1345 0.083,1346 11.073,1347 4.979,1348 8.968,1349 0.116,1350 0.044,1351 8.968,1352 3.35,1353 7.435,1354 0.073,1355 0.023,1356 7.435,1357 2.318,1358 0.257,1359 92.083,1360 0.211,1361 29.108,1362 0.408,1363 156,1364 482.475,1365 171.273,1366 463.304,1367 631.48,1368 434,1369 183,1370 461.311,1371 198.803,1372 467.777,1373 682.84,1374 439,1375 7.699} {0 CHEMBL565406,1 1.523,2 12.205,3 6.542,4 42.803,5 147.883,6 7.858,7 0.591,8 4.294,9 4.396,10 3.91,11 3.919,12 5.461,13 3.898,14 4.821,15 4.969,16 4.291,17 4.32,18 5.925,19 4.283,20 5.111,21 5.284,22 4.394,23 4.489,24 6.23,25 4.434,26 5.211,27 5.435,28 4.479,29 4.512,30 6.326,31 4.458,32 5.139,33 5.328,34 4.458,35 4.492,36 6.471,37 4.443,38 5.115,39 5.32,40 4.357,41 4.48,42 6.251,43 4.403,44 5.067,45 5.242,46 4.384,47 4.501,48 6.146,49 4.434,50 5.159,51 5.341,52 4.4,53 4.54,54 6.305,55 4.463,56 0.04,57 0.961,58 11.756,59 6.082,60 20.949,61 7.337,62 0.124,63 1.584,64 22.641,65 10.735,66 32.17,67 13.381,68 0.384,69 2.08,70 33.404,71 14.057,72 74.879,73 17.08,74 0.276,75 2.313,76 39.536,77 15.523,78 72.157,79 20.866,80 0.543,81 2.264,82 34.351,83 13.469,84 123.874,85 17.211,86 0.452,87 2.106,88 34.331,89 14.266,90 84.722,91 19.003,92 0.226,93 1.982,94 30.795,95 14.154,96 43.211,97 18.057,98 0.25,99 2.165,100 33.912,101 14.974,102 52.275,103 19.313,104 47,105 66,106 0.236,107 0.611,108 0.76,109 0.829,110 0.834,111 0.834,112 3.694,113 0.894,114 -5.5,115 -5.37,116 -5.02,118 48.5,119 2,120 4,121 1,124 1,129 1,140 8,141 8,142 2,144 1,150 1,154 2,157 1,168 20,172 7,175 1,177 5,180 25,186 12,191 6,194 18,198 12,203 8,206 18,209 2,210 7,213 2,215 4,218 24,221 1,222 3,225 1,227 3,229 32,233 1,234 6,239 3,242 31,247 11,250 1,252 2,255 21,259 13,262 1,263 1,264 4,267 14,270 2845,271 26.254,272 26.254,273 26.254,274 26.254,275 26.254,276 23.215,277 19.056,278 14.947,279 26.626,280 21.671,281 21.671,282 21.671,283 21.671,284 21.671,285 16.656,286 17.923,287 7.001,288 22.323,289 4.521,290 2.095,291 1.137,292 0.69,293 0.659,294 0.659,295 4.399,301 1045,302 4.359,303 62.263,305 61.715,306 330.305,309 107.727,310 246.464,313 2.057,314 46.718,317 0.5,318 0.67,319 0.83,320 0.7,321 0.5,322 0.83,323 1,324 0.72,325 83.5,326 476,327 4.885,328 4.108,329 7.079,330 4.384,331 3.4,332 5.055,333 2.035,334 12.279,335 3.348,336 4.552,337 4.036,338 6.787,339 4.138,340 3.156,341 4.291,342 2.035,343 11.187,344 3.108,345 4.208,346 3.426,347 6.456,348 4.087,349 3.119,350 3.871,351 0.86,352 10.2,353 2.999,354 4.118,355 3.364,356 6.128,357 3.666,358 2.681,359 3.858,361 8.903,362 2.656,363 4.026,364 3.117,365 6.092,366 3.614,367 2.637,368 3.219,370 8.718,371 2.578,372 3.734,373 2.891,374 5.494,375 3.59,376 2.606,377 3.019,379 7.395,380 2.544,381 3.673,382 2.762,383 5.317,384 3.201,385 2.26,386 2.922,388 6.763,389 2.116,390 3.611,391 2.652,392 5.277,393 3.121,394 2.164,395 2.866,397 6.607,398 2.073,399 3.543,400 2.591,401 5.19,402 3.053,403 2.062,404 2.753,406 6.287,407 2.043,408 3.456,409 2.387,410 5.151,411 3.041,412 2.061,413 2.653,415 6.118,416 1.996,417 3.37,418 2.236,419 4.788,420 2.655,421 1.707,422 2.41,424 5.031,425 1.606,426 2.932,427 2.067,428 4.228,429 2.248,430 1.294,431 1.763,433 3.317,434 1.228,435 2.762,436 1.798,437 4.165,438 2.136,439 1.161,440 1.5,442 2.967,443 1.126,444 2.606,445 1.562,446 3.701,447 2,448 1,449 1.374,451 2.64,452 1,453 2.5,454 1.209,455 3.523,456 1.798,457 0.865,458 1.207,460 2.442,461 0.805,462 18.552,463 0.476,464 1.195,465 0.031,466 53,467 1.359,468 28.5,469 0.731,470 24.5,471 0.628,472 38.027,473 0.975,474 39.648,475 0.601,476 45.485,477 1.166,478 9.554,479 0.245,480 9.181,481 0.235,482 0.13,483 0.027,484 0.377,486 1,487 0.717,488 0.942,489 0.728,490 0.916,491 0.581,492 0.845,493 0.743,494 0.955,495 0.747,496 0.967,497 0.483,498 0.887,499 1.231,500 1.003,501 1.023,502 0.962,503 0.976,504 0.969,505 0.725,506 0.995,507 0.666,508 0.851,509 0.568,510 0.767,511 0.892,512 0.869,513 0.936,514 0.921,515 0.612,516 0.932,517 0.577,518 0.75,519 0.854,520 0.917,521 0.632,522 0.93,523 0.718,524 0.937,525 0.873,526 1.027,527 0.601,528 0.993,529 0.727,530 1.057,531 1,532 1.154,533 0.669,534 1.135,535 9.5,536 0.31,537 4.056,538 3.569,539 2.918,540 1.987,541 1.402,542 1.043,543 0.761,544 0.674,545 22916,546 59887,547 2.117,548 40.9,549 5,550 10,553 2,555 10,558 1.802,559 1.958,560 3.53,561 0.085,567 100.548,568 1.523,569 3.95,570 4.908,571 5.355,572 5.385,573 5.385,574 3.023,575 4.753,576 5.247,577 3.769,578 2792.48,579 9.306,580 45359,585 398.93,586 1.596,587 5.203,588 0.216,589 0.007,590 0.064,591 0.052,592 0.039,593 0.028,594 0.022,595 0.015,596 0.011,597 0.012,598 0.468,599 0.17,600 0.63,601 0.971,602 214.295,603 -0.047,604 0.02,605 0.033,606 0.056,607 -0.013,608 0.059,609 0.02,610 -0.026,611 0.104,612 0.021,613 0.077,614 0.063,615 -0.162,616 -0.047,617 -0.09,618 0.022,619 -0.12,620 -0.019,621 0.049,622 -0.081,623 0.308,624 0.126,625 0.103,626 0.233,627 0.06,628 0.111,629 -0.005,630 0.019,631 0.214,632 -0.006,633 0.133,634 0.144,635 0.074,636 0.064,637 0.08,638 0.058,639 0.022,640 -0.023,641 0.016,642 -0.024,643 0.009,644 -0.009,645 -0.006,646 -0.168,647 -0.105,648 -0.174,649 0.013,650 -0.164,651 2.313,652 6.085,653 0.667,654 50.663,655 1.003,656 1.117,657 4.266,658 18.202,659 0.697,660 3.807,661 4.205,662 4.477,663 4.852,664 5.17,665 5.421,666 5.704,667 5.966,668 6.203,669 6.384,670 7.496,671 0.67,672 518.63,673 3.807,674 5.398,675 6.279,676 7.207,677 8.11,678 9.046,679 9.962,680 10.901,681 11.827,682 12.77,683 6.1,691 1,692 2,693 1,698 6,699 8,700 1,701 1,704 7,706 26,707 2,722 1,723 1,724 66,726 28,727 4,728 44,730 71,731 32,733 21,734 12,735 8,739 6,740 13,745 2,748 2,749 1,751 4,752 2,753 21,754 9,755 2,770 1,772 27,773 6,774 2,775 7,778 1,779 4,784 0.5,785 2,788 1,799 1,801 1,802 4,805 1,806 2,830 1,832 3,836 2,838 1,840 39,845 1,846 5,848 1,850 1,852 1,853 2,858 2,860 2,861 1,862 3,863 1,867 1,869 19.917,870 12.86,871 8.292,872 4.195,874 5.754,875 1.622,876 0.994,877 6.176,878 15.003,879 4.127,880 4.802,881 5.506,882 6.265,883 6.994,884 7.587,885 8.226,886 8.839,887 9.413,888 9.906,889 1,890 68,891 14.507,893 6.513,894 7.853,895 27.571,897 23.915,899 2.353,900 91.75,904 294.278,905 185.409,906 95.69,908 53.683,909 14.96,911 185.409,912 347.961,913 110.65,914 17.65,915 14.731,916 118.493,917 52.317,918 129.447,919 17.104,920 294.278,922 294.278,923 281.099,924 68.643,927 191.527,928 128.711,929 42.683,931 115.757,932 148.556,933 16.786,935 309.238,936 149.373,937 185.409,940 294.278,941 58.745,942 93.46,943 49.989,944 147.548,945 294.278,946 164.333,947 185.409,949 0.594,950 0.327,951 0.19,952 0.11,953 35,954 16,955 0.099,956 7,957 3,958 1.231,959 4.7,960 423.291,961 0.231,962 26,963 194.131,968 25.177,969 9.567,970 5.014,971 5.157,972 147.548,973 14.27,974 4.85,975 3.338,978 1.815,980 59.469,981 644.02,982 61,994 66.178,995 73.734,996 0.252,997 0.653,998 0.812,999 0.886,1000 0.891,1001 0.891,1002 5.418,1003 2.164,1004 6.315,1005 6.763,1006 4.89,1007 5.491,1008 2.947,1009 7.21,1010 4.836,1011 6.693,1012 2.062,1013 7.926,1014 6.607,1015 4.745,1016 5.533,1018 8.36,1019 4.664,1020 8.049,1021 2.061,1022 9.635,1023 6.287,1024 6.608,1025 7.86,1026 4.258,1027 11.424,1028 6.513,1029 9.437,1030 1.707,1031 11.402,1032 6.118,1033 7.201,1034 8.714,1036 13.332,1037 7.081,1038 10.853,1039 1.294,1040 13.205,1041 5.031,1042 8.611,1043 10.564,1044 5.655,1045 15.987,1046 8.478,1047 12.291,1048 1.161,1049 15.032,1050 3.317,1051 9.526,1052 11.81,1054 18.212,1055 9.371,1056 13.748,1057 1,1058 16.878,1059 2.967,1060 10.777,1061 13.484,1062 7.07,1063 20.738,1064 10.608,1065 3.4,1066 0.865,1067 18.738,1068 2.64,1069 11.838,1070 14.921,1072 23.102,1073 11.65,1074 3.156,1075 12.279,1076 20.609,1077 2.442,1078 13.036,1079 16.535,1080 8.49,1081 25.588,1082 12.833,1083 3.119,1084 11.187,1085 22.49,1086 5.055,1087 14.165,1088 18.063,1090 28.014,1091 13.943,1092 2.681,1093 10.2,1094 24.38,1095 4.291,1096 15.349,1097 19.661,1098 9.911,1099 30.491,1100 15.112,1101 2.637,1102 8.903,1103 26.276,1104 3.871,1105 16.51,1106 21.231,1108 32.947,1109 16.256,1110 2.606,1111 8.718,1112 28.178,1113 3.858,1114 17.695,1115 22.83,1116 11.331,1117 35.426,1118 17.424,1119 2.26,1120 7.395,1121 30.085,1122 3.219,1123 18.872,1124 24.422,1126 37.898,1127 18.586,1128 21440,1129 34978,1130 29.244,1131 46.006,1132 70.187,1133 73.581,1134 69.924,1135 66.913,1136 66.888,1137 89.961,1138 9.859,1139 206.53,1140 64.837,1141 5.837,1142 6.108,1143 6.644,1144 5.458,1145 5.4,1146 8.055,1147 4.069,1148 20.279,1149 5.348,1150 21.222,1151 1.595,1152 1.672,1153 1.589,1154 1.521,1155 1.52,1156 2.045,1157 0.224,1158 4.694,1159 1.474,1160 4.272,1161 4.295,1162 4.252,1163 4.214,1164 8.201,1165 4.22,1166 3.959,1167 3.979,1168 3.938,1169 3.901,1170 6.825,1171 3.907,1172 3.919,1173 3.97,1174 3.79,1175 3.818,1176 6.815,1177 3.804,1178 3.815,1179 3.849,1180 3.738,1181 3.735,1182 6.449,1183 3.731,1184 3.684,1185 3.719,1186 3.633,1187 3.554,1188 5.122,1189 3.566,1190 3.579,1191 3.629,1192 3.473,1193 3.428,1194 4.773,1195 3.434,1196 3.299,1197 3.36,1198 3.269,1199 3.133,1200 4.622,1201 3.16,1202 3.279,1203 3.325,1204 3.153,1205 3.1,1206 4.417,1207 3.1,1208 0.111,1209 0.093,1210 0.161,1211 0.1,1212 0.077,1213 4.885,1214 0.115,1215 4.108,1216 0.046,1217 7.079,1218 0.279,1219 4.384,1220 0.076,1221 3.4,1222 5.055,1223 2.035,1224 12.279,1225 3.348,1226 2.176,1227 2.164,1228 2.223,1229 2.222,1230 1.442,1231 2.223,1232 1.934,1233 1.917,1234 1.981,1235 2.015,1236 1.199,1237 2.004,1238 1.808,1239 1.78,1240 1.959,1241 1.928,1242 1.179,1243 1.94,1244 1.632,1245 1.591,1246 1.84,1247 1.805,1248 1.098,1249 1.815,1250 1.551,1251 1.496,1252 1.78,1253 1.719,1254 0.916,1255 1.739,1256 1.37,1257 1.327,1258 1.513,1259 1.569,1260 0.825,1261 1.55,1262 1.256,1263 1.203,1264 1.497,1265 1.443,1266 0.652,1267 1.431,1268 1.2,1269 1.163,1270 1.417,1271 1.376,1272 0.542,1273 1.429,1274 4.489,1275 1.946,1276 5.866,1277 3.932,1278 7.433,1279 5.82,1280 9.095,1281 7.681,1282 10.815,1284 3.569,1286 14.085,1289 10.45,1290 4.777,1292 6.11,1294 0.779,1296 -0.867,1298 19.407,1299 4.011,1300 44.22,1301 100.548,1302 260.688,1303 323.91,1304 353.42,1305 355.42,1306 355.42,1307 86.011,1308 9.249,1309 105.72,1310 105.72,1311 32,1312 13.267,1313 4.858,1314 4.17,1315 54.733,1316 177,1317 198,1318 0.155,1319 265.822,1320 461.55,1321 640.365,1322 142239,1323 1.5,1324 27.311,1325 0.7,1326 0.559,1327 26.441,1328 21.807,1329 18.735,1330 0.426,1331 0.298,1332 12.992,1333 18.204,1334 12.62,1335 10.413,1336 18.341,1337 13.112,1338 18.202,1339 0.276,1340 0.168,1341 17.557,1342 11.066,1343 14.103,1344 0.162,1345 0.081,1346 13.843,1347 7.014,1348 12.905,1349 0.102,1350 0.041,1351 12.563,1352 5.236,1353 11.066,1354 0.063,1355 0.021,1356 10.677,1357 3.593,1358 0.239,1359 116.207,1360 0.185,1361 34.574,1362 0.443,1363 220,1364 631.265,1365 235.693,1366 601.894,1367 822.83,1368 560,1369 266,1370 609.706,1371 280.249,1372 620.737,1373 912.05,1374 584,1375 4.523} {0 CHEMBL56722,1 1.441,2 17.684,3 6.126,4 37.532,5 147.159,6 6.876,7 0.415,8 4.381,9 4.501,10 3.867,11 3.927,12 5.431,13 3.886,14 4.941,15 5.119,16 4.176,17 4.325,18 5.984,19 4.241,20 5.25,21 5.499,22 4.183,23 4.455,24 6.15,25 4.326,26 5.267,27 5.52,28 4.159,29 4.429,30 6.189,31 4.3,32 5.217,33 5.465,34 4.12,35 4.418,36 6.116,37 4.289,38 5.21,39 5.46,40 4.1,41 4.393,42 6.109,43 4.26,44 5.177,45 5.432,46 4.088,47 4.309,48 6.121,49 4.196,50 5.087,51 5.325,52 4.112,53 4.213,54 6.154,55 4.137,56 0.049,57 1.029,58 16.598,59 7.422,60 11.407,61 9.884,62 0.339,63 1.683,64 30.625,65 12.556,66 50.593,67 17.395,68 0.404,69 2.101,70 43.797,71 16.773,72 66.208,73 23.811,74 0.573,75 2.09,76 45.24,77 16.433,78 76.932,79 23.464,80 0.388,81 2.027,82 42.516,83 15.908,84 63.584,85 22.605,86 0.336,87 2.024,88 42.127,89 15.623,90 58.177,91 22.452,92 0.387,93 1.931,94 41.375,95 14.2,96 61.285,97 20.573,98 0.363,99 1.741,100 37.94,101 12.613,102 63.617,103 17.876,104 15,105 53,106 0.222,107 0.537,108 0.7,109 0.813,110 0.859,111 0.87,112 3.667,113 1.007,114 -5.28,115 -5.17,116 -4.83,118 41.3,120 11,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 23,169 1,171 1,172 5,175 2,177 2,180 26,181 1,185 1,186 7,189 1,191 2,194 24,195 1,197 1,198 8,201 1,203 2,206 20,207 1,210 9,215 3,218 17,219 1,222 11,227 5,229 11,230 2,234 13,239 6,242 6,243 3,247 12,248 1,252 5,255 4,256 3,258 3,259 13,262 1,264 4,267 5,268 1,270 3342,271 26.087,272 26.087,273 26.087,274 26.087,275 26.087,276 23.624,277 11.506,278 16.158,279 26.249,280 20.297,281 20.297,282 20.297,283 20.297,284 20.297,285 16.559,286 9.055,287 7.746,288 20.531,289 4.788,290 2.748,291 1.692,292 0.958,293 0.66,294 0.587,295 4.364,300 1,301 1428,302 4.583,305 130.769,306 467.376,313 3.033,314 35.174,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 81.5,326 672,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,352 8.178,353 2.59,354 3.64,355 2.829,356 5.34,357 3.521,358 2.521,359 3.06,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.237,367 2.232,368 2.711,370 6.368,371 2.219,372 3.522,373 2.263,374 4.66,375 3.196,376 2.208,377 2.532,379 5.185,380 2.18,381 3.266,382 2.029,383 4.542,384 2.814,385 1.836,386 2.518,388 4.675,389 1.791,390 2.992,391 1.869,392 4.164,393 2.68,394 1.687,395 2.141,397 3.834,398 1.673,399 2.727,400 1.799,401 3.954,402 2.549,403 1.553,404 1.761,406 3.464,407 1.542,408 2.701,409 1.5,410 3.714,411 2.405,412 1.414,413 1.705,415 3.107,416 1.4,417 2.5,418 1.496,419 3.564,420 2.36,421 1.373,422 1.5,424 2.944,425 1.351,426 2.5,427 1.195,428 3.478,429 2.033,430 1.05,431 1.5,433 2.618,434 1.028,435 2.498,436 1.099,437 3.414,438 2,439 1,440 1.49,442 2.275,443 1,444 2.37,445 1.029,446 3.282,447 2,448 1,449 1.313,451 2.136,452 1,453 2.212,454 1,455 3.258,456 1.956,457 1,458 1.076,460 2.136,461 0.954,462 18.033,463 0.475,464 0.661,465 0.017,466 43.75,467 1.151,468 20.5,469 0.539,470 23.25,471 0.612,472 37.923,473 0.998,474 41.967,475 0.56,476 34.365,477 0.904,478 7.932,479 0.209,480 10.666,481 0.281,482 0.055,484 0.25,487 0.757,488 1.254,489 0.871,490 1.131,491 0.624,492 1.034,493 0.569,494 1.201,495 0.968,496 1.173,497 0.43,498 1.133,499 0.695,500 0.986,501 0.895,502 0.997,503 0.711,504 0.98,505 0.835,506 0.942,507 0.927,508 0.933,509 0.82,510 0.941,511 0.865,512 0.975,513 0.962,514 0.966,515 0.784,516 0.975,517 0.784,518 1.081,519 0.964,520 1.045,521 0.728,522 1.03,523 0.989,524 1.022,525 0.942,526 0.961,527 0.895,528 0.939,529 1.256,530 1.043,531 0.921,532 0.967,533 1.084,534 0.898,535 5.5,536 0.228,537 3.556,538 1.625,539 1.224,540 0.816,541 0.564,542 0.56,543 0.448,544 0.268,545 27018,546 62520,547 2.084,548 49.3,549 19,550 9,551 1,552 2,553 2,554 2,555 2,558 1.783,559 2,560 4.049,561 0.097,567 108.077,568 1.441,569 3.481,570 4.536,571 5.27,572 5.569,573 5.642,574 3.55,575 4.827,576 5.211,577 4.289,578 3015.01,579 9.16,580 55512,585 467.161,586 1.156,587 5.202,588 0.134,589 0.006,590 0.067,591 0.031,592 0.024,593 0.017,594 0.012,595 0.012,596 0.01,597 0.006,598 0.319,599 0.17,600 0.75,601 1.118,602 218.108,603 -0.034,604 -0.054,605 0.036,606 0.004,607 -0.001,608 0.025,609 0.17,610 -0.087,611 -0.038,612 -0.103,613 0.184,614 -0.102,615 0.048,616 0.006,617 0.06,618 0.014,619 0.046,620 0.033,621 0.055,622 0.038,623 0.05,624 0.056,625 0.014,626 0.053,627 -0.06,628 0.02,629 0.001,630 0.038,631 -0.039,632 0.03,633 -0.027,634 -0.08,635 -0.005,636 -0.047,637 -0.018,638 -0.026,639 -0.048,640 -0.018,641 0.047,642 0.002,643 -0.027,644 0.036,645 -0.054,646 -0.034,647 0.098,648 -0.01,649 0.023,650 0.059,651 2.459,652 5.538,653 0.605,654 62.781,655 0.995,656 1.125,657 4.05,658 16.4,659 0.65,660 3.738,661 3.989,662 4.205,663 4.407,664 4.575,665 4.615,666 4.745,667 4.86,668 4.949,669 5.03,670 10.197,671 0.612,672 515.71,673 3.738,674 5.242,675 6.057,676 6.895,677 7.729,678 8.576,679 9.42,680 10.273,681 11.125,682 11.983,683 4,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 75,726 20,727 1,728 41,730 78,731 31,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 11,753 18,754 13,755 1,756 3,761 2,763 1,765 3,772 37,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 38,845 1,846 12,847 1,850 1,862 5.3,864 1,865 2,867 1,869 19,870 13.017,871 8.611,872 5.054,874 3.029,875 1.379,876 0.949,877 10.705,878 11.015,879 3.98,880 4.469,881 4.976,882 5.491,883 5.941,884 6.232,885 6.648,886 7.022,887 7.397,888 7.743,889 0.917,890 52,891 14.118,893 5.902,894 7.728,895 27.418,897 22.524,899 2.228,900 84.667,904 411.989,905 152.287,906 51.582,908 102.481,911 152.287,912 514.469,913 51.582,915 47.996,916 78.073,917 160.721,918 43.101,919 11.771,920 376.675,922 411.989,923 203.869,924 102.481,927 388.446,928 126.023,931 73.868,932 86.954,933 43.047,935 411.989,936 154.062,937 152.287,940 411.989,941 56.119,942 96.168,943 18.011,944 136.052,945 411.989,946 154.062,947 152.287,949 0.56,950 0.312,951 0.164,952 0.087,953 21,954 9,955 0.167,956 13,958 1,959 5.092,960 337.225,962 23,963 191.421,968 27.792,969 14.637,970 8.657,972 154.062,973 16.566,974 8.631,976 5.613,978 3.397,980 60.694,981 718.338,982 52.5,987 23.4,989 2.053,991 -0.011,994 74.636,995 84.391,996 0.231,997 0.559,998 0.728,999 0.846,1000 0.894,1001 0.906,1002 5.183,1003 1.687,1004 5.989,1005 4.675,1006 4.673,1007 5.156,1008 2.468,1009 6.713,1010 4.651,1011 6.332,1012 1.553,1013 7.488,1014 3.834,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.594,1021 1.414,1022 9.093,1023 3.464,1024 6.172,1025 7.209,1026 3.693,1027 10.554,1028 6.132,1029 8.894,1030 1.373,1031 10.765,1032 3.107,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.361,1038 10.231,1039 1.05,1040 12.483,1041 2.944,1042 7.955,1043 9.578,1044 5.217,1045 14.784,1046 7.899,1047 11.595,1048 1,1049 14.233,1050 2.618,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.552,1056 12.979,1057 1,1058 16.006,1059 2.275,1060 9.902,1061 12.116,1062 6.852,1063 19.199,1064 9.829,1065 3.042,1066 1,1067 17.796,1068 2.136,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.695,1074 2.941,1075 10.188,1076 19.598,1077 2.136,1078 11.948,1079 14.749,1080 8.526,1081 23.702,1082 11.856,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.831,1092 2.521,1093 8.178,1094 23.229,1095 3.89,1096 14.052,1097 17.438,1098 10.216,1099 28.251,1100 13.942,1101 2.232,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.97,1110 2.208,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.063,1119 1.836,1120 5.185,1121 28.719,1122 2.711,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.119,1128 25823,1129 39688,1130 27.909,1131 48.779,1132 60.152,1133 61.252,1134 60.374,1135 59.406,1136 59.411,1137 75.068,1138 6.798,1139 157.532,1140 58.739,1141 5.411,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.407,1151 1.467,1152 1.494,1153 1.473,1154 1.449,1155 1.449,1156 1.831,1157 0.166,1158 3.842,1159 1.433,1160 4.047,1161 4.071,1162 4.004,1163 3.97,1164 7.474,1165 3.971,1166 3.903,1167 3.957,1168 3.849,1169 3.801,1170 7.429,1171 3.785,1172 3.888,1173 3.915,1174 3.76,1175 3.756,1176 6.351,1177 3.77,1178 3.741,1179 3.782,1180 3.675,1181 3.595,1182 5.149,1183 3.615,1184 3.693,1185 3.739,1186 3.577,1187 3.545,1188 4.915,1189 3.542,1190 3.617,1191 3.674,1192 3.471,1193 3.466,1194 4.661,1195 3.457,1196 3.386,1197 3.424,1198 3.296,1199 3.22,1200 4.309,1201 3.231,1202 3.319,1203 3.376,1204 3.187,1205 3.113,1206 4.216,1207 3.111,1208 0.108,1209 0.088,1210 0.159,1211 0.098,1212 0.074,1213 4.411,1214 0.099,1215 3.596,1216 0.057,1217 6.502,1218 0.248,1219 4.036,1220 0.074,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.132,1229 2.054,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.076,1235 2.047,1236 1.283,1237 2.062,1238 1.797,1239 1.766,1240 1.927,1241 1.91,1242 1.261,1243 1.913,1244 1.679,1245 1.63,1246 1.923,1247 1.88,1248 1.131,1249 1.892,1250 1.676,1251 1.615,1252 1.887,1253 1.855,1254 0.95,1255 1.868,1256 1.484,1257 1.45,1258 1.647,1259 1.687,1260 0.93,1261 1.676,1262 1.352,1263 1.327,1264 1.532,1265 1.559,1266 0.825,1267 1.539,1268 1.255,1269 1.184,1270 1.513,1271 1.473,1272 0.678,1273 1.49,1274 4.419,1276 5.687,1277 2.398,1278 7.138,1279 4.595,1280 8.672,1281 6.605,1282 10.253,1289 8.926,1290 12.255,1291 2.963,1294 0.872,1300 45.879,1301 108.077,1302 261.052,1303 340.228,1304 395.287,1305 417.652,1306 423.161,1307 84.916,1308 7.986,1309 105.32,1310 105.32,1311 23,1312 12.537,1313 4.392,1314 3.644,1315 67.988,1316 231,1317 250,1318 0.138,1319 282.726,1320 501.84,1321 681.611,1322 39300,1324 26.581,1325 0.699,1326 0.576,1327 26.581,1328 21.903,1329 18.597,1330 0.454,1331 0.336,1332 13.643,1333 18.055,1334 13.404,1335 11.155,1336 18.597,1337 13.768,1338 15.868,1339 0.299,1340 0.189,1341 15.868,1342 10.016,1343 12.728,1344 0.193,1345 0.108,1346 12.728,1347 7.145,1348 10.181,1349 0.126,1350 0.062,1351 10.181,1352 5.053,1353 7.889,1354 0.082,1355 0.037,1356 7.889,1357 3.536,1358 0.228,1359 115.587,1360 0.189,1361 35.727,1362 0.352,1363 188,1364 526.979,1365 203.458,1366 507.699,1367 683.74,1368 474,1369 213,1370 491.286,1371 227.272,1372 496.329,1373 718.39,1374 468,1375 6.638} {0 CHEMBL56742,1 1.477,2 14,3 3.374,4 11.382,5 121.43,6 7.273,7 0.353,8 4.123,9 4.245,10 3.673,11 3.696,12 5.213,13 3.664,14 4.659,15 4.837,16 4.026,17 4.086,18 5.718,19 4.03,20 4.939,21 5.157,22 4.117,23 4.226,24 5.995,25 4.152,26 4.983,27 5.214,28 4.014,29 4.175,30 6.078,31 4.083,32 4.899,33 5.136,34 3.907,35 4.092,36 5.917,37 3.993,38 4.823,39 5.051,40 3.867,41 3.99,42 6.023,43 3.897,44 4.745,45 4.981,46 3.676,47 3.889,48 5.801,49 3.796,50 4.603,51 4.83,52 3.628,53 3.826,54 5.66,55 3.724,56 0.023,57 0.827,58 11.578,59 5.158,60 6.829,61 6.918,62 0.219,63 1.348,64 21.694,65 8.681,66 22.01,67 12.066,68 0.201,69 1.678,70 30.532,71 11.303,72 39.47,73 15.882,74 0.463,75 1.67,76 33.33,77 11.568,78 67.334,79 16.058,80 0.267,81 1.512,82 30.577,83 11.136,84 49.618,85 15.46,86 0.513,87 1.416,88 28.466,89 9.855,90 86.214,91 13.698,92 0.384,93 1.309,94 26.745,95 8.399,96 59.367,97 11.62,98 0.239,99 1.145,100 22.333,101 8.162,102 40.183,103 11.366,104 18,105 47,106 0.24,107 0.614,108 0.809,109 0.876,110 0.876,111 0.876,112 3.471,113 0.941,114 -4.45,115 -4.38,116 -4.13,118 43.9,119 2,120 3,121 1,124 1,133 2,134 1,135 1,140 6,141 2,142 1,143 1,144 1,154 3,168 13,171 2,172 11,175 1,177 2,180 13,186 9,191 2,194 10,197 2,198 11,201 1,203 2,206 11,210 7,218 9,221 2,222 9,225 3,227 2,229 9,234 2,239 2,242 6,246 1,247 7,252 3,255 8,259 6,264 2,267 6,270 1746,271 20.982,272 20.982,273 20.982,274 20.982,275 20.982,276 18.852,277 26.843,278 12.496,279 21.217,280 16.778,281 16.778,282 16.778,283 16.778,284 16.778,285 13.302,286 27.358,287 5.961,288 17.137,289 4.356,290 2.058,291 0.86,292 0.448,293 0.448,294 0.448,295 4.169,299 1,300 1,301 942,302 3.873,306 336.958,310 247.429,313 2.258,314 30.303,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66,326 434,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.923,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.63,354 3.896,355 2.908,356 5.763,357 3.491,358 2.521,359 3.242,360 0.219,361 7.575,362 2.444,363 3.608,364 2.718,365 5.34,366 3.293,367 2.32,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.993,382 1.953,383 4.257,384 2.732,385 1.753,386 2.121,388 4.036,389 1.715,390 2.934,391 1.803,392 4.15,393 2.496,394 1.513,395 1.966,397 3.43,398 1.484,399 2.733,400 1.566,401 3.823,402 2.29,403 1.289,404 1.731,406 3.318,407 1.286,408 2.579,409 1.538,410 3.734,411 2.253,412 1.268,413 1.55,415 2.956,416 1.248,417 2.5,418 1.311,419 3.538,420 2.198,421 1.206,422 1.5,424 2.808,425 1.193,426 2.472,427 1.251,428 3.496,429 1.959,430 1,431 1.433,433 2.136,434 0.956,435 2.392,436 1.034,437 3.247,438 1.794,439 0.778,440 1.165,442 1.936,443 0.784,444 1.872,445 1,446 3.049,447 1.666,448 0.67,449 0.766,451 1.458,452 0.663,453 1.68,454 0.63,455 2.902,456 1.107,457 0.113,458 0.153,460 0.294,461 0.111,462 14.767,463 0.476,464 0.733,465 0.024,466 39.75,467 1.282,468 20,469 0.645,470 19.75,471 0.637,472 26.717,473 0.862,474 32.633,475 0.573,476 30.308,477 0.978,478 7.546,479 0.243,480 7.479,481 0.241,482 0.113,484 0.332,487 0.667,488 1.304,489 0.795,490 1.074,491 0.549,492 0.967,493 0.592,494 1.133,495 0.838,496 1.019,497 0.531,498 0.967,499 0.932,500 1.13,501 0.889,502 1.02,503 0.805,504 0.953,505 1.24,506 0.936,507 1.049,508 0.962,509 1.329,510 0.977,511 1.157,512 1.027,513 0.968,514 1.008,515 1.244,516 0.974,517 1.087,518 1.004,519 1.028,520 1.021,521 1.175,522 1.022,523 1.785,524 0.912,525 1.251,526 0.891,527 1.724,528 0.977,529 1.075,530 1.059,531 1.056,532 1.074,533 1.088,534 1.065,535 5.5,536 0.103,537 3.556,538 1.75,539 1.933,540 1.104,541 0.565,542 0.432,543 0.329,544 0.248,545 14692,546 35127,547 2.084,548 45.6,549 9,550 10,551 1,552 1,553 1,554 2,555 2,558 1.731,559 1.958,560 3.739,561 -0.393,563 1,567 84.167,568 1.477,569 3.774,570 4.973,571 5.385,572 5.385,573 5.385,574 3.26,575 4.632,576 4.92,577 3.943,578 1833.72,579 8.567,580 27397.2,582 1,585 332.475,586 1.383,587 4.888,588 0.162,589 0.004,590 0.076,591 0.035,592 0.045,593 0.028,594 0.016,595 0.014,596 0.011,597 0.009,598 0.4,599 0.17,600 1,601 0.701,602 164.485,603 -0.013,604 -0.149,605 0.051,606 -0.035,607 -0.028,608 0.006,609 0.177,610 -0.035,611 0.069,612 -0.018,613 0.08,614 0.003,615 -0.018,616 -0.103,617 0.071,618 -0.037,619 0.043,620 0.021,621 -0.008,622 0.061,623 -0.043,624 -0.001,625 -0.055,626 -0.022,627 -0.063,628 -0.069,629 0.029,630 -0.023,631 -0.074,632 0.01,633 0.216,634 -0.014,635 -0.014,636 -0.063,637 0.194,638 -0.071,639 -0.326,640 0.105,641 -0.217,642 0.036,643 -0.245,644 -0.054,645 -0.017,646 -0.07,647 -0.075,648 -0.093,649 -0.006,650 -0.091,651 1.859,652 6.057,653 0.645,654 39.02,655 0.996,656 1.122,657 3.221,658 10.372,659 0.672,660 3.555,661 3.871,662 4.143,663 4.382,664 4.673,665 4.779,666 4.913,667 5.063,668 5.204,669 5.193,670 8.135,671 0.637,672 414.55,673 3.555,674 5.094,675 5.943,676 6.815,677 7.686,678 8.567,679 9.45,680 10.339,681 11.229,682 12.125,683 7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 57,726 17,727 1,728 34,730 60,731 25,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 3,753 18,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 31,846 4,847 1,850 1,851 1,862 3.5,865 2,869 15.833,870 10.85,871 6.833,872 3.689,874 3.21,875 1.403,876 0.983,877 6.317,878 11.185,879 3.829,880 4.369,881 4.934,882 5.453,883 6.012,884 6.289,885 6.663,886 7.042,887 7.452,888 7.691,889 1,890 50,891 11.52,893 4.918,894 7.731,895 22.064,897 18.147,899 2.231,900 69.167,903 1,904 294.278,905 148.072,906 54.706,908 50.29,911 148.072,912 344.567,913 54.706,914 17.65,915 39.892,916 75.81,917 90.584,918 40.903,919 11.771,920 270.735,922 294.278,923 202.778,924 50.29,927 270.735,928 73.832,931 77.084,932 89.956,933 35.738,935 294.278,936 104.996,937 148.072,940 294.278,941 36.517,942 114.68,943 18.011,944 83.861,945 294.278,946 104.996,947 148.072,949 0.58,950 0.337,951 0.174,952 0.099,953 22,954 10,955 0.117,956 7,957 2,958 1.2,959 4.337,960 271.764,961 0.2,962 20,963 151.58,968 21.053,969 9.302,970 4.77,972 104.996,973 13.473,974 4.307,978 3.379,980 18.011,981 547.345,982 45,987 25.637,989 5.002,990 4.58,991 0.623,994 56.781,995 63.979,996 0.253,997 0.647,998 0.853,999 0.923,1000 0.923,1001 0.923,1002 5.069,1003 1.513,1004 5.922,1005 4.036,1006 4.554,1007 5.056,1008 2.023,1009 6.725,1010 4.514,1011 6.262,1012 1.289,1013 7.478,1014 3.43,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.06,1020 7.558,1021 1.268,1022 9.138,1023 3.318,1024 6.138,1025 7.164,1026 2.145,1027 10.729,1028 6.053,1029 8.889,1030 1.206,1031 10.859,1032 2.956,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.428,1038 10.253,1039 1,1040 12.619,1041 2.808,1042 8.012,1043 9.55,1044 2.343,1045 15.089,1046 7.884,1047 11.64,1048 0.778,1049 14.405,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.645,1056 13.046,1057 0.67,1058 16.211,1059 1.936,1060 10.059,1061 12.091,1062 2.593,1063 19.646,1064 9.886,1065 3.24,1066 0.113,1067 18.031,1068 1.458,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.832,1074 2.839,1075 11.139,1076 19.863,1077 0.294,1078 12.212,1079 14.729,1080 2.884,1081 24.317,1082 11.989,1083 2.644,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.025,1092 2.521,1093 8.244,1094 23.554,1095 3.632,1096 14.431,1097 17.43,1098 3.21,1099 29.052,1100 14.152,1101 2.32,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.233,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.354,1119 1.753,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.458,1128 13912,1129 21698,1130 22.77,1131 38.307,1132 51.942,1133 52.931,1134 51.993,1135 50.506,1136 50.48,1137 64.8,1138 6.628,1139 143.338,1140 49.531,1141 5.494,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 14.78,1151 1.528,1152 1.557,1153 1.529,1154 1.485,1155 1.485,1156 1.906,1157 0.195,1158 4.216,1159 1.457,1160 4.052,1161 4.082,1162 4.018,1163 3.959,1164 7.431,1165 3.967,1166 3.898,1167 3.943,1168 3.823,1169 3.793,1170 7.425,1171 3.794,1172 3.813,1173 3.849,1174 3.754,1175 3.714,1176 4.893,1177 3.72,1178 3.644,1179 3.71,1180 3.519,1181 3.491,1182 4.86,1183 3.484,1184 3.517,1185 3.574,1186 3.381,1187 3.394,1188 4.552,1189 3.382,1190 3.323,1191 3.385,1192 3.201,1193 3.126,1194 4.234,1195 3.139,1196 3.182,1197 3.207,1198 3.119,1199 2.994,1200 4.143,1201 3.017,1202 3.082,1203 3.14,1204 2.939,1205 2.936,1206 3.954,1207 2.93,1208 0.134,1209 0.112,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 3.807,1216 0.037,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.314,1231 2.091,1232 1.871,1233 1.829,1234 2.028,1235 2.005,1236 1.268,1237 2.015,1238 1.79,1239 1.758,1240 1.918,1241 1.922,1242 1.031,1243 1.926,1244 1.635,1245 1.572,1246 1.858,1247 1.818,1248 0.978,1249 1.835,1250 1.526,1251 1.471,1252 1.75,1253 1.684,1254 0.87,1255 1.709,1256 1.275,1257 1.214,1258 1.534,1259 1.513,1260 0.724,1261 1.521,1262 1.101,1263 1.072,1264 1.417,1265 1.321,1266 0.469,1267 1.308,1268 1.066,1269 1.015,1270 1.264,1271 1.26,1272 0.334,1273 1.297,1274 4.234,1276 5.549,1278 7.067,1280 8.684,1282 10.357,1284 4.179,1290 3.272,1291 2.935,1294 0.319,1295 1.461,1300 36.31,1301 84.167,1302 215.142,1303 283.455,1304 306.965,1305 306.965,1306 306.965,1307 60.83,1308 7.975,1309 76.36,1310 76.36,1311 24,1312 12.651,1313 4.17,1314 3.585,1315 49.835,1316 150,1317 164,1318 0.159,1319 223.974,1320 402.36,1321 538.256,1322 36052,1324 21.794,1325 0.703,1326 0.575,1327 21.794,1328 17.837,1329 15.025,1330 0.442,1331 0.314,1332 10.567,1333 14.603,1334 10.269,1335 8.581,1336 15.025,1337 10.669,1338 13.452,1339 0.286,1340 0.171,1341 13.452,1342 8.028,1343 11.378,1344 0.184,1345 0.088,1346 11.378,1347 5.432,1348 9.094,1349 0.115,1350 0.046,1351 9.094,1352 3.597,1353 7.661,1354 0.072,1355 0.024,1356 7.661,1357 2.531,1358 0.258,1359 93.158,1360 0.21,1361 29.82,1362 0.413,1363 162,1364 444.739,1365 174.727,1366 436.159,1367 600.82,1368 408,1369 190,1370 447.118,1371 203.311,1372 454.557,1373 665.92,1374 429,1375 5} {0 CHEMBL56778,1 1.417,2 18.308,3 6.36,4 40.448,5 152.468,6 6.647,7 0.286,8 4.439,9 4.563,10 3.895,11 3.976,12 5.444,13 3.928,14 5.021,15 5.207,16 4.203,17 4.381,18 6.016,19 4.288,20 5.338,21 5.593,22 4.214,23 4.515,24 6.208,25 4.378,26 5.338,27 5.596,28 4.188,29 4.484,30 6.233,31 4.347,32 5.303,33 5.559,34 4.15,35 4.486,36 6.146,37 4.344,38 5.318,39 5.578,40 4.133,41 4.467,42 6.193,43 4.321,44 5.27,45 5.537,46 4.093,47 4.384,48 6.15,49 4.25,50 5.167,51 5.416,52 4.106,53 4.313,54 6.088,55 4.205,56 0.062,57 1.1,58 18.39,59 8.058,60 11.527,61 10.936,62 0.389,63 1.81,64 34.175,65 13.609,66 54.154,67 19.145,68 0.476,69 2.253,70 48.148,71 17.934,72 68.357,73 25.778,74 0.613,75 2.212,76 48.604,77 17.424,78 78.398,79 25.199,80 0.407,81 2.177,82 46.385,83 17.309,84 60.4,85 24.941,86 0.402,87 2.194,88 47.196,89 17.206,90 68.462,91 25.036,92 0.443,93 2.074,94 45.461,95 15.573,96 67.313,97 22.961,98 0.376,99 1.891,100 40.912,101 14.044,102 51.452,103 20.428,104 16,105 54,106 0.217,107 0.517,108 0.695,109 0.814,110 0.864,111 0.875,112 3.692,113 1.037,114 -5.27,115 -5.16,116 -4.83,118 40,120 12,121 1,124 2,126 1,133 1,134 1,140 6,141 3,143 2,154 3,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 9,215 3,218 18,219 1,222 11,227 5,229 13,230 1,234 12,239 5,242 9,243 2,247 12,252 4,255 7,256 3,258 2,259 13,260 1,264 4,267 6,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.654,277 15.777,278 16.658,279 27.072,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.512,286 12.218,287 7.996,288 21.222,289 4.905,290 2.94,291 1.779,292 0.998,293 0.669,294 0.6,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 36.322,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 83.5,326 714,327 4.4,328 3.762,329 6.502,330 4.031,331 3.042,332 3.997,333 2.341,334 10.188,335 3.019,336 4.243,337 3.596,338 6.248,339 3.904,340 2.941,341 3.7,342 1.96,343 9.413,344 2.821,345 3.886,346 3.239,347 5.905,348 3.593,349 2.6,350 3.239,351 1.307,352 8.178,353 2.574,354 3.638,355 3.016,356 5.34,357 3.521,358 2.521,359 2.989,360 0.451,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.24,367 2.235,368 2.71,369 0.133,370 6.368,371 2.222,372 3.522,373 2.356,374 4.659,375 3.189,376 2.209,377 2.522,379 5.184,380 2.161,381 3.247,382 2.113,383 4.542,384 2.807,385 1.843,386 2.462,388 4.677,389 1.772,390 2.936,391 1.938,392 4.17,393 2.706,394 1.715,395 2.039,397 3.872,398 1.698,399 2.756,400 1.804,401 3.957,402 2.585,403 1.598,404 1.792,406 3.482,407 1.567,408 2.702,409 1.633,410 3.714,411 2.454,412 1.476,413 1.699,415 3.162,416 1.442,417 2.5,418 1.499,419 3.634,420 2.362,421 1.379,422 1.5,424 3.063,425 1.35,426 2.5,427 1.485,428 3.478,429 2.066,430 1.085,431 1.5,433 2.63,434 1.06,435 2.462,436 1.329,437 3.414,438 2,439 1,440 1.45,442 2.323,443 1,444 2.41,445 1.306,446 3.389,447 2,448 1,449 1.336,451 2.275,452 1,453 2.241,454 1.032,455 3.267,456 1.956,457 1,458 1.13,460 2.136,461 0.953,462 18.533,463 0.475,464 0.661,465 0.017,466 41.75,467 1.071,468 18,469 0.462,470 23.75,471 0.609,472 41.869,473 1.074,474 43.867,475 0.548,476 32.773,477 0.84,478 7.448,479 0.191,480 11.649,481 0.299,482 0.054,484 0.243,487 0.757,488 1.291,489 0.907,490 1.173,491 0.632,492 1.076,493 0.639,494 1.215,495 1.014,496 1.188,497 0.464,498 1.155,499 0.789,500 0.983,501 0.934,502 0.992,503 0.788,504 0.985,505 0.878,506 0.954,507 0.951,508 0.945,509 0.875,510 0.955,511 0.839,512 0.998,513 0.967,514 0.991,515 0.778,516 0.995,517 0.833,518 1.066,519 0.973,520 1.034,521 0.788,522 1.023,523 0.972,524 0.997,525 0.957,526 0.944,527 0.882,528 0.941,529 1.061,530 1.039,531 0.945,532 0.981,533 0.903,534 0.944,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 64917,547 2.082,548 51.3,549 21,550 12,552 2,553 2,554 2,555 2,558 1.79,559 2,560 4.093,561 0.085,567 113.34,568 1.417,569 3.382,570 4.543,571 5.323,572 5.653,573 5.722,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 505.754,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.75,601 1.233,602 225.902,603 -0.028,604 -0.053,605 0.037,606 0.004,607 -0.003,608 0.025,609 0.148,610 -0.081,611 -0.056,612 -0.102,613 0.157,614 -0.107,615 0.021,616 0.018,617 0.031,618 0.015,619 0.016,620 0.021,621 0.044,622 0.035,623 0.03,624 0.045,625 0.005,626 0.037,627 -0.05,628 0.003,629 -0.006,630 0.019,631 -0.049,632 0.014,633 -0.034,634 -0.07,635 -0.008,636 -0.036,637 -0.012,638 -0.022,639 -0.057,640 0.001,641 0.027,642 0.022,643 -0.038,644 0.036,645 -0.047,646 -0.02,647 0.051,648 -0.003,649 -0.035,650 0.035,651 2.427,652 5.627,653 0.59,654 67.057,655 0.993,656 1.128,657 4.042,658 16.337,659 0.641,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.599,672 531.76,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.8,690 1,692 1,693 1,699 8,700 1,704 3,706 12,724 80,726 16,727 1,728 42,730 83,731 32,733 11,734 2,735 4,736 3,739 4,740 4,748 6,749 1,751 13,753 16,754 16,755 1,756 4,761 2,763 1,764 1,765 4,772 41,773 7,774 2,775 7,779 3,784 1,785 4,795 1,801 1,802 3,816 1,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 14,847 1,848 1,850 2,862 5,864 1,865 2,867 1,869 19.5,870 13.767,871 8.861,872 5.453,874 2.435,875 1.303,876 0.938,877 11.589,878 10.461,879 3.97,880 4.419,881 4.875,882 5.345,883 5.807,884 6.032,885 6.451,886 6.76,887 7.073,888 7.354,889 1,890 53,891 14.535,893 6.079,894 7.688,895 28.435,897 23.532,899 2.188,900 85.333,904 459.073,905 144.712,906 51.582,908 103.973,911 144.712,912 563.046,913 51.582,915 55.123,916 66.334,917 143.73,918 58.623,920 435.531,922 459.073,923 196.294,924 103.973,927 435.531,928 127.515,931 90.004,932 80.029,933 26.262,935 459.073,936 155.555,937 144.712,940 459.073,941 60.284,942 84.429,943 18.011,944 137.544,945 459.073,946 155.555,947 144.712,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.169,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 29.019,969 15.575,970 9.319,972 155.555,973 15.492,974 4.261,978 2.882,980 60.694,981 759.34,982 52,987 23.42,989 2.146,990 4.557,991 0.729,994 79.403,995 90.221,996 0.224,997 0.535,998 0.719,999 0.842,1000 0.894,1001 0.905,1002 5.182,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.106,1008 2.991,1009 6.723,1010 4.653,1011 6.314,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.62,1017 2.591,1018 7.466,1019 3.97,1020 7.569,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.091,1026 4.15,1027 10.556,1028 6.112,1029 8.86,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.491,1035 4.414,1036 12.22,1037 6.318,1038 10.189,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.397,1044 5.558,1045 14.785,1046 7.856,1047 11.543,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.222,1053 6.123,1054 16.81,1055 8.49,1056 12.919,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 11.877,1062 7.091,1063 19.199,1064 9.765,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 12.93,1071 7.8,1072 21.375,1073 10.616,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.456,1080 8.693,1081 23.702,1082 11.773,1083 2.6,1084 9.413,1085 21.41,1086 3.997,1087 12.93,1088 15.64,1089 9.471,1090 25.944,1091 12.735,1092 2.521,1093 8.178,1094 23.23,1095 3.7,1096 14.053,1097 17.096,1098 10.333,1099 28.251,1100 13.841,1101 2.235,1102 6.965,1103 25.055,1104 3.239,1105 15.09,1106 18.356,1107 11.144,1108 30.523,1109 14.86,1110 2.209,1111 6.368,1112 26.885,1113 2.989,1114 16.192,1115 19.774,1116 11.994,1117 32.825,1118 15.946,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.08,1125 12.822,1126 35.113,1127 16.995,1128 27880,1129 41995,1130 28.602,1131 51.302,1132 61.475,1133 62.69,1134 61.749,1135 60.656,1136 60.738,1137 74.021,1138 12.386,1139 160.195,1140 59.483,1141 5.4,1142 5.762,1143 6.304,1144 5.089,1145 5.042,1146 6.997,1147 3.925,1148 16.953,1149 5.019,1150 15.78,1151 1.464,1152 1.493,1153 1.47,1154 1.444,1155 1.446,1156 1.762,1157 0.295,1158 3.814,1159 1.416,1160 4.032,1161 4.061,1162 3.979,1163 3.966,1164 7.474,1165 3.964,1166 3.903,1167 3.957,1168 3.806,1169 3.802,1170 7.428,1171 3.784,1172 3.858,1173 3.894,1174 3.76,1175 3.742,1176 6.351,1177 3.749,1178 3.738,1179 3.785,1180 3.658,1181 3.589,1182 4.957,1183 3.592,1184 3.724,1185 3.773,1186 3.598,1187 3.569,1188 4.887,1189 3.574,1190 3.606,1191 3.666,1192 3.457,1193 3.455,1194 4.614,1195 3.446,1196 3.457,1197 3.492,1198 3.352,1199 3.297,1200 4.309,1201 3.302,1202 3.32,1203 3.392,1204 3.188,1205 3.114,1206 4.224,1207 3.113,1208 0.105,1209 0.09,1210 0.155,1211 0.096,1212 0.072,1213 4.4,1214 0.095,1215 3.762,1216 0.056,1217 6.502,1218 0.243,1219 4.031,1220 0.072,1221 3.042,1222 3.997,1223 2.341,1224 10.188,1225 3.019,1226 1.981,1227 1.959,1228 2.132,1229 2.054,1230 1.536,1231 2.08,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.799,1239 1.766,1240 1.955,1241 1.915,1242 1.262,1243 1.922,1244 1.717,1245 1.665,1246 1.928,1247 1.887,1248 1.163,1249 1.902,1250 1.682,1251 1.62,1252 1.901,1253 1.885,1254 1.005,1255 1.894,1256 1.523,1257 1.474,1258 1.721,1259 1.723,1260 0.961,1261 1.731,1262 1.428,1263 1.391,1264 1.643,1265 1.628,1266 0.909,1267 1.627,1268 1.269,1269 1.19,1270 1.58,1271 1.494,1272 0.835,1273 1.526,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.874,1290 13.759,1291 3.039,1292 5.792,1294 0.38,1300 47.933,1301 113.34,1302 270.534,1303 363.441,1304 425.88,1305 452.244,1306 457.754,1307 91.588,1308 8.026,1309 100.88,1310 100.88,1311 23,1312 12.544,1313 4.087,1314 3.459,1315 70.774,1316 243,1317 263,1318 0.137,1319 295.246,1320 532.68,1321 712.159,1322 41503,1324 27.288,1325 0.7,1326 0.585,1327 27.288,1328 22.817,1329 19.097,1330 0.455,1331 0.346,1332 14.384,1333 18.555,1334 14.133,1335 11.734,1336 19.097,1337 14.514,1338 16.221,1339 0.3,1340 0.197,1341 16.221,1342 10.628,1343 12.978,1344 0.194,1345 0.114,1346 12.978,1347 7.625,1348 10.358,1349 0.126,1350 0.066,1351 10.358,1352 5.413,1353 8.01,1354 0.083,1355 0.039,1356 8.01,1357 3.782,1358 0.226,1359 118.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 518.979,1365 207.458,1366 497.778,1367 668.13,1368 466,1369 217,1370 473.025,1371 231.272,1372 477.173,1373 692.24,1374 451,1375 7.086} {0 CHEMBL57359,1 1.428,2 17.487,3 6.583,4 43.329,5 151.76,6 6.792,7 0.405,8 4.416,9 4.538,10 3.891,11 3.961,12 5.454,13 3.917,14 4.98,15 5.162,16 4.196,17 4.36,18 6.007,19 4.271,20 5.293,21 5.545,22 4.203,23 4.49,24 6.174,25 4.357,26 5.309,27 5.566,28 4.193,29 4.469,30 6.209,31 4.338,32 5.262,33 5.509,34 4.193,35 4.472,36 6.146,37 4.347,38 5.279,39 5.523,40 4.21,41 4.469,42 6.212,43 4.349,44 5.261,45 5.506,46 4.187,47 4.42,48 6.198,49 4.307,50 5.211,51 5.453,52 4.188,53 4.358,54 6.189,55 4.262,56 0.055,57 1.068,58 17.483,59 7.77,60 11.713,61 10.419,62 0.351,63 1.748,64 32.175,65 13.15,66 51.163,67 18.312,68 0.417,69 2.182,70 45.769,71 17.523,72 66.628,73 24.98,74 0.587,75 2.172,76 47.173,77 17.176,78 75.689,79 24.627,80 0.373,81 2.128,82 44.373,83 16.728,84 59.736,85 23.833,86 0.404,87 2.167,88 45.333,89 16.478,90 68.433,91 23.586,92 0.435,93 2.124,94 44.82,95 15.47,96 67.28,97 22.366,98 0.511,99 2.004,100 42.94,101 14.433,102 61.63,103 20.715,104 16,105 54,106 0.219,107 0.524,108 0.7,109 0.831,110 0.877,111 0.888,112 3.692,113 1.019,114 -5.47,115 -5.35,116 -4.99,118 41,120 12,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 11,215 3,218 18,219 1,222 13,227 5,229 13,230 1,234 12,239 5,242 9,243 2,246 2,247 13,252 5,255 7,256 3,259 12,260 1,264 5,267 6,268 3,270 3690,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 11.506,278 16.701,279 26.956,280 20.813,281 20.813,282 20.813,283 20.813,284 20.813,285 17.065,286 7.585,287 8.029,288 21.047,289 4.858,290 2.86,291 1.711,292 0.859,293 0.558,294 0.487,295 4.39,301 1445,302 4.69,305 124.153,306 464.387,313 2.885,314 35.836,317 0.5,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.7,325 83.5,326 682,327 4.435,328 3.596,329 6.52,330 4.061,331 3.067,332 4.091,333 2.341,334 10.273,335 3.049,336 4.289,337 3.562,338 6.242,339 3.907,340 2.922,341 3.87,342 1.058,343 9.387,344 2.871,345 3.953,346 3.063,347 5.908,348 3.595,349 2.596,350 3.453,352 8.201,353 2.585,354 3.612,355 2.809,356 5.34,357 3.521,358 2.521,359 3.009,361 6.965,362 2.521,363 3.55,364 2.522,365 5.232,366 3.24,367 2.235,368 2.71,370 6.337,371 2.222,372 3.522,373 2.259,374 4.659,375 3.172,376 2.185,377 2.54,379 5.184,380 2.155,381 3.27,382 2.027,383 4.528,384 2.818,385 1.838,386 2.52,388 4.625,389 1.798,390 2.966,391 1.866,392 4.159,393 2.705,394 1.712,395 2.104,397 3.845,398 1.698,399 2.758,400 1.798,401 3.934,402 2.588,403 1.589,404 1.821,406 3.457,407 1.583,408 2.718,409 1.54,410 3.714,411 2.461,412 1.479,413 1.744,415 3.169,416 1.451,417 2.653,418 1.499,419 3.633,420 2.362,421 1.369,422 1.675,424 3.048,425 1.357,426 2.5,427 1.307,428 3.498,429 2.201,430 1.207,431 1.5,433 2.715,434 1.198,435 2.459,436 1.253,437 3.457,438 2,439 1,440 1.455,442 2.397,443 1,444 2.392,445 1.044,446 3.372,447 1.999,448 1,449 1.297,451 2.282,452 0.995,453 2.333,454 1.002,455 3.266,456 1.955,457 1,458 1.243,460 2.136,461 0.953,462 18.533,463 0.475,464 0.661,465 0.017,466 44.25,467 1.135,468 20.5,469 0.526,470 23.75,471 0.609,472 40.375,473 1.035,474 43.267,475 0.555,476 35.185,477 0.902,478 7.932,479 0.203,480 11.166,481 0.286,482 0.054,484 0.243,487 0.757,488 1.262,489 0.885,490 1.142,491 0.623,492 1.047,493 0.568,494 1.21,495 0.979,496 1.184,497 0.427,498 1.144,499 0.689,500 0.985,501 0.893,502 0.995,503 0.706,504 0.977,505 0.825,506 0.924,507 0.907,508 0.913,509 0.812,510 0.92,511 0.836,512 1.002,513 0.929,514 0.976,515 0.781,516 0.967,517 0.953,518 1.061,519 0.98,520 1.007,521 0.832,522 0.997,523 1.074,524 1.075,525 1.012,526 0.998,527 0.925,528 0.989,529 1.155,530 0.97,531 0.979,532 0.934,533 0.896,534 0.923,535 5.5,536 0.229,537 3.333,538 1.625,539 1.224,540 0.903,541 0.58,542 0.411,543 0.478,544 0.347,545 27833,546 63591,547 2.082,548 50,549 21,550 9,551 1,552 2,553 2,554 2,555 2,558 1.792,559 2,560 4.037,561 0.085,567 111.376,568 1.428,569 3.425,570 4.574,571 5.426,572 5.728,573 5.798,574 3.573,575 4.926,576 5.247,577 4.26,578 3156.36,579 9.249,580 58184,585 490.261,586 1.14,587 5.24,588 0.131,589 0.005,590 0.062,591 0.031,592 0.024,593 0.017,594 0.011,595 0.008,596 0.009,597 0.007,598 0.304,599 0.17,600 0.63,601 1.233,602 224.251,603 -0.031,604 -0.052,605 0.036,606 0.004,607 0.002,608 0.025,609 0.17,610 -0.092,611 -0.041,612 -0.108,613 0.186,614 -0.106,615 0.051,616 0.007,617 0.063,618 0.016,619 0.048,620 0.035,621 0.061,622 0.056,623 0.07,624 0.076,625 0.018,626 0.075,627 -0.037,628 0.001,629 0.033,630 0.034,631 -0.042,632 0.042,633 -0.062,634 -0.047,635 -0.005,636 -0.012,637 -0.026,638 -0.002,639 -0.086,640 -0.049,641 -0.021,642 -0.025,643 -0.069,644 -0.014,645 -0.034,646 0.06,647 0.031,648 0.025,649 -0.028,650 0.038,651 2.437,652 5.642,653 0.59,654 64.88,655 0.994,656 1.126,657 4.237,658 17.956,659 0.648,660 3.761,661 4.007,662 4.22,663 4.431,664 4.605,665 4.644,666 4.762,667 4.883,668 4.984,669 5.05,670 9.983,671 0.608,672 529.74,673 3.761,674 5.263,675 6.075,676 6.913,677 7.746,678 8.594,679 9.439,680 10.294,681 11.147,682 12.008,683 3.8,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 78,726 20,727 1,728 42,730 81,731 32,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 12,753 18,754 14,755 1,756 3,761 2,763 1,765 3,772 39,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 39,845 1,846 13,847 1,850 1,862 5.1,864 1,865 2,867 1,869 19.5,870 13.517,871 8.861,872 5.304,874 3.089,875 1.385,876 0.947,877 11.345,878 11.115,879 3.998,880 4.48,881 4.983,882 5.505,883 5.961,884 6.242,885 6.651,886 7.026,887 7.384,888 7.702,889 0.917,890 53,891 14.5,893 6.047,894 7.709,895 28.234,897 23.191,899 2.209,900 86.167,904 435.531,905 154.822,906 51.582,908 102.481,911 154.822,912 538.011,913 51.582,915 50.531,916 78.073,917 160.721,918 43.101,919 11.771,920 400.217,922 435.531,923 206.404,924 102.481,927 411.989,928 126.023,931 76.402,932 86.954,933 43.047,935 435.531,936 154.062,937 154.822,940 435.531,941 58.654,942 96.168,943 18.011,944 136.052,945 435.531,946 154.062,947 154.822,949 0.558,950 0.31,951 0.165,952 0.088,953 21,954 9,955 0.173,956 14,958 1,959 5.126,960 352.268,962 23,963 202.131,968 28.766,969 15.381,970 9.18,972 154.062,973 16.737,974 8.731,976 5.695,978 3.403,980 60.694,981 744.415,982 53.5,987 23.466,989 2.126,991 0.03,994 77.519,995 87.806,996 0.227,997 0.545,998 0.728,999 0.863,1000 0.911,1001 0.922,1002 5.2,1003 1.712,1004 6.004,1005 4.625,1006 4.691,1007 5.168,1008 2.468,1009 6.725,1010 4.67,1011 6.345,1012 1.589,1013 7.499,1014 3.845,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.604,1021 1.479,1022 9.101,1023 3.457,1024 6.184,1025 7.213,1026 3.693,1027 10.568,1028 6.145,1029 8.901,1030 1.369,1031 10.771,1032 3.169,1033 6.399,1034 7.664,1035 4.112,1036 12.23,1037 6.361,1038 10.237,1039 1.207,1040 12.489,1041 3.048,1042 7.964,1043 9.581,1044 5.217,1045 14.808,1046 7.908,1047 11.599,1048 1,1049 14.239,1050 2.715,1051 8.616,1052 10.471,1053 5.889,1054 16.834,1055 8.557,1056 12.983,1057 1,1058 16.013,1059 2.397,1060 9.913,1061 12.124,1062 6.852,1063 19.233,1064 9.84,1065 3.067,1066 1,1067 17.804,1068 2.282,1069 10.787,1070 13.242,1071 7.625,1072 21.413,1073 10.708,1074 2.922,1075 10.273,1076 19.607,1077 2.136,1078 11.964,1079 14.765,1080 8.526,1081 23.75,1082 11.874,1083 2.596,1084 9.387,1085 21.421,1086 4.091,1087 12.95,1088 16.005,1089 9.342,1090 25.998,1091 12.852,1092 2.521,1093 8.201,1094 23.242,1095 3.87,1096 14.077,1097 17.464,1098 10.216,1099 28.313,1100 13.969,1101 2.235,1102 6.965,1103 25.069,1104 3.453,1105 15.119,1106 18.771,1107 11.051,1108 30.593,1109 15.003,1110 2.185,1111 6.337,1112 26.901,1113 3.009,1114 16.226,1115 20.196,1116 11.912,1117 32.903,1118 16.1,1119 1.838,1120 5.184,1121 28.737,1122 2.71,1123 17.297,1124 21.54,1125 12.755,1126 35.199,1127 17.163,1128 26704,1129 40747,1130 28.602,1131 50.54,1132 61.593,1133 62.548,1134 61.727,1135 60.752,1136 60.768,1137 76.432,1138 6.798,1139 160.286,1140 60.095,1141 5.435,1142 5.596,1143 6.322,1144 5.097,1145 5.067,1146 7.091,1147 3.925,1148 17.135,1149 5.049,1150 15.669,1151 1.466,1152 1.489,1153 1.47,1154 1.446,1155 1.447,1156 1.82,1157 0.162,1158 3.816,1159 1.431,1160 4.049,1161 4.073,1162 4.007,1163 3.972,1164 7.474,1165 3.974,1166 3.902,1167 3.957,1168 3.843,1169 3.801,1170 7.429,1171 3.785,1172 3.884,1173 3.912,1174 3.76,1175 3.753,1176 6.351,1177 3.766,1178 3.742,1179 3.784,1180 3.676,1181 3.597,1182 5.149,1183 3.616,1184 3.723,1185 3.772,1186 3.598,1187 3.581,1188 4.915,1189 3.576,1190 3.619,1191 3.677,1192 3.471,1193 3.468,1194 4.663,1195 3.458,1196 3.456,1197 3.491,1198 3.353,1199 3.297,1200 4.309,1201 3.302,1202 3.331,1203 3.4,1204 3.202,1205 3.122,1206 4.238,1207 3.122,1208 0.106,1209 0.086,1210 0.155,1211 0.097,1212 0.073,1213 4.435,1214 0.097,1215 3.596,1216 0.056,1217 6.52,1218 0.245,1219 4.061,1220 0.073,1221 3.067,1222 4.091,1223 2.341,1224 10.273,1225 3.049,1226 1.982,1227 1.961,1228 2.132,1229 2.055,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.797,1239 1.765,1240 1.955,1241 1.911,1242 1.261,1243 1.92,1244 1.717,1245 1.665,1246 1.925,1247 1.886,1248 1.164,1249 1.899,1250 1.676,1251 1.615,1252 1.902,1253 1.88,1254 0.961,1255 1.892,1256 1.484,1257 1.45,1258 1.648,1259 1.687,1260 0.93,1261 1.677,1262 1.427,1263 1.39,1264 1.643,1265 1.629,1266 0.835,1267 1.627,1268 1.255,1269 1.188,1270 1.513,1271 1.483,1272 0.825,1273 1.49,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.686,1281 6.605,1282 10.266,1289 8.898,1290 13.234,1291 2.979,1294 0.869,1300 47.406,1301 111.376,1302 267.176,1303 356.803,1304 423.242,1305 446.752,1306 452.261,1307 89.328,1308 8.026,1309 105.32,1310 105.32,1311 23,1312 12.56,1313 4.392,1314 3.644,1315 70.605,1316 228,1317 263,1318 0.144,1319 292.318,1320 519.14,1321 705.017,1322 41503,1324 27.288,1325 0.7,1326 0.58,1327 27.288,1328 22.61,1329 19.097,1330 0.455,1331 0.34,1332 14.143,1333 18.555,1334 13.893,1335 11.573,1336 19.097,1337 14.268,1338 16.233,1339 0.301,1340 0.192,1341 16.233,1342 10.373,1343 12.917,1344 0.193,1345 0.11,1346 12.917,1347 7.373,1348 10.397,1349 0.125,1350 0.063,1351 10.397,1352 5.248,1353 8.101,1354 0.082,1355 0.037,1356 8.101,1357 3.673,1358 0.236,1359 118.587,1360 0.187,1361 36.274,1362 0.371,1363 192,1364 530.979,1365 207.458,1366 511.925,1367 689.52,1368 478,1369 217,1370 495.286,1371 231.272,1372 500.627,1373 724.41,1374 472,1375 7.638} {0 CHEMBL57480,1 1.588,2 13.345,3 1.905,4 3.629,5 109.357,6 7.928,7 0.375,8 4.002,9 4.111,10 3.617,11 3.563,12 5.187,13 3.558,14 4.504,15 4.656,16 3.967,17 3.946,18 5.681,19 3.919,20 4.787,21 4.984,22 4.044,23 4.063,24 5.945,25 4.019,26 4.808,27 5.027,28 3.926,29 3.966,30 6,31 3.913,32 4.678,33 4.886,34 3.822,35 3.868,36 5.929,37 3.808,38 4.615,39 4.833,40 3.69,41 3.783,42 5.872,43 3.704,44 4.518,45 4.751,46 3.538,47 3.677,48 5.593,49 3.591,50 4.412,51 4.636,52 3.494,53 3.563,54 5.563,55 3.502,56 0.066,57 0.722,58 8.748,59 4.202,60 12.083,61 5.112,62 0.237,63 1.163,64 16.134,65 6.926,66 22.527,67 8.904,68 0.284,69 1.427,70 24.621,71 9.396,72 46.832,73 12.321,74 0.556,75 1.394,76 27.305,77 9.123,78 75.999,79 11.888,80 0.512,81 1.208,82 23.488,83 8.403,84 79.194,85 11.004,86 0.521,87 1.137,88 22.381,89 7.933,90 85.583,91 10.525,92 0.31,93 1.035,94 20.52,95 7.337,96 46.583,97 9.805,98 0.278,99 0.92,100 18.399,101 6.37,102 44.277,103 8.356,104 10,105 44,106 0.266,107 0.67,108 0.838,109 0.912,110 0.912,111 0.912,112 3.407,113 0.885,114 -3.33,115 -3.31,116 -3.17,118 44.9,120 3,124 1,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 9,171 2,172 10,175 1,177 4,180 7,186 9,191 4,194 5,197 2,198 8,201 1,203 2,206 6,210 5,213 3,215 1,218 8,221 2,222 3,225 2,227 2,229 6,234 3,237 1,239 4,242 4,247 5,252 2,255 4,258 1,259 6,262 1,263 1,264 1,267 5,270 1458,271 19.775,272 19.775,273 19.775,274 19.775,275 19.775,276 17.568,277 24.149,278 11.853,279 20.049,280 15.81,281 15.81,282 15.81,283 15.81,284 15.81,285 12.3,286 25.58,287 5.687,288 16.237,289 4.027,290 1.609,291 0.604,292 0.163,293 0.163,294 0.163,295 4.107,298 1,299 1,300 1,301 849,302 3.464,306 310.907,310 228.59,313 2.126,314 35.482,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 63,326 387,327 4.551,328 3.806,329 6.787,330 4.202,331 3.234,332 4.136,333 1.257,334 11.123,335 3.133,336 4.18,337 3.548,338 6.125,339 3.799,340 2.802,341 3.618,342 1.058,343 8.931,344 2.791,345 3.896,346 2.908,347 5.874,348 3.513,349 2.523,350 3.444,351 0.78,352 8.009,353 2.498,354 3.824,355 2.795,356 5.34,357 3.458,358 2.491,359 3.153,360 0.219,361 6.965,362 2.393,363 3.537,364 2.718,365 5.282,366 3.08,367 2.094,368 2.788,370 6.344,371 2.052,372 3.382,373 2.36,374 4.95,375 3.005,376 2.057,377 2.618,379 5.76,380 1.94,381 2.986,382 1.933,383 4.257,384 2.725,385 1.75,386 2.121,388 4.031,389 1.705,390 2.929,391 1.802,392 4.142,393 2.475,394 1.509,395 1.955,397 3.425,398 1.454,399 2.733,400 1.566,401 3.736,402 2.271,403 1.274,404 1.73,406 3.314,407 1.264,408 2.574,409 1.52,410 3.545,411 2.232,412 1.249,413 1.539,415 2.818,416 1.224,417 2.5,418 1.305,419 3.496,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.427,427 1.034,428 3.247,429 1.801,430 0.788,431 1.182,433 1.944,434 0.791,435 1.873,436 1,437 3.065,438 1.669,439 0.671,440 0.767,442 1.46,443 0.665,444 1.709,445 0.726,446 2.918,447 1.178,448 0.198,449 0.258,451 0.497,452 0.191,453 1.238,454 0.297,455 2.653,456 0.89,457 -0.085,458 -0.098,460 -0.194,461 -0.083,462 13.6,463 0.469,464 0.644,465 0.022,466 39.5,467 1.362,468 20.5,469 0.707,470 19,471 0.655,472 21.377,473 0.737,474 30.2,475 0.616,476 29.909,477 1.031,478 7.825,479 0.27,480 6.289,481 0.217,482 0.074,484 0.324,487 0.766,488 1.266,489 0.735,490 1.001,491 0.642,492 0.884,493 0.619,494 1.144,495 0.839,496 1.048,497 0.547,498 0.99,499 0.927,500 1.181,501 0.887,502 1.067,503 0.842,504 0.984,505 1.202,506 0.894,507 1.041,508 0.909,509 1.27,510 0.932,511 0.988,512 0.981,513 0.991,514 1,515 1.098,516 0.997,517 0.915,518 0.938,519 1.045,520 1.01,521 0.992,522 1.047,523 0.994,524 0.979,525 1.029,526 1.036,527 0.989,528 1.037,529 1.186,530 1.016,531 1.009,532 1.005,533 1.164,534 0.975,535 5,536 0.087,537 3.111,538 1.625,539 1.853,540 0.813,541 0.483,542 0.345,543 0.296,544 0.157,545 12542,546 35089,547 2.111,548 40.8,549 4,550 9,551 1,552 2,553 2,555 2,558 1.713,559 2,560 3.674,561 0.228,562 1,563 1,567 77.82,568 1.588,569 4.006,570 5.01,571 5.451,572 5.451,573 5.451,574 3.142,575 4.487,576 4.825,577 3.871,578 1571.78,579 8.37,580 22364.6,582 1,584 1,585 275.121,586 1.314,587 4.8,588 0.156,589 0.004,590 0.071,591 0.035,592 0.048,593 0.023,594 0.016,595 0.013,596 0.012,597 0.007,598 0.385,599 0.33,600 1,601 0.506,602 150.636,603 -0.078,604 -0.137,605 0.028,606 -0.003,607 -0.06,608 0.024,609 0.097,610 -0.042,611 -0.005,612 -0.072,613 0.051,614 -0.063,615 -0.052,616 -0.179,617 0.057,618 -0.085,619 0.004,620 -0.009,621 -0.065,622 0.095,623 -0.021,624 0.042,625 -0.085,626 0.026,627 0.096,628 -0.019,629 0.011,630 -0.022,631 0.064,632 -0.02,633 0.129,634 0.024,635 -0.037,636 -0.036,637 0.119,638 -0.063,639 -0.06,640 -0.028,641 -0.017,642 -0.055,643 -0.063,644 -0.031,645 -0.119,646 -0.063,647 0.013,648 -0.034,649 -0.061,650 0.012,651 1.993,652 5.724,653 0.69,654 33.565,655 1.009,656 1.121,657 2.096,658 4.392,659 0.683,660 3.497,661 3.807,662 4.078,663 4.331,664 4.615,665 4.673,666 4.804,667 4.942,668 5.063,669 5.011,670 7.788,671 0.662,672 388.46,673 3.497,674 5.03,675 5.878,676 6.749,677 7.617,678 8.498,679 9.377,680 10.265,681 11.153,682 12.046,683 8.2,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,721 1,724 49,726 17,727 1,728 32,730 52,731 22,733 11,734 3,735 3,736 7,739 4,740 7,751 3,753 18,754 4,756 5,761 2,763 3,764 1,765 4,769 1,772 20,773 7,774 2,775 7,779 4,781 1,784 0.5,785 3,795 1,802 4,806 2,816 1,822 2,823 1,832 2,840 29,845 1,846 4,847 1,851 1,862 6.1,864 1,865 2,869 14.5,870 8.717,871 6.389,872 2.978,874 3.23,875 1.414,876 0.982,877 5.544,878 11.033,879 3.784,880 4.331,881 4.89,882 5.414,883 5.966,884 6.197,885 6.56,886 6.944,887 7.352,888 7.547,889 0.889,890 46,891 10.756,893 4.668,894 7.908,895 20.192,897 16.576,899 2.408,900 69.833,904 211.88,905 127.236,906 54.706,908 92.973,911 127.236,912 304.853,913 54.706,915 39.892,916 66.334,917 145.038,918 47.194,919 11.771,920 176.567,922 211.88,923 181.942,924 92.973,927 188.338,928 116.515,931 65.725,932 80.479,933 35.738,935 211.88,936 147.679,937 127.236,940 211.88,941 33.76,942 96.6,943 18.011,944 126.544,945 211.88,946 147.679,947 127.236,949 0.577,950 0.336,951 0.179,952 0.103,953 21,954 9,955 0.115,956 6,957 2,958 1.2,959 4.209,960 247.607,961 0.2,962 20,963 140.881,968 19.099,969 8.417,970 4.28,972 147.679,973 12.016,974 4.091,978 1.976,980 60.694,981 486.795,982 43,987 25.178,989 4.781,990 4.41,991 0.262,994 49.458,995 54.943,996 0.283,997 0.713,998 0.892,999 0.971,1000 0.971,1001 0.971,1002 5.017,1003 1.509,1004 5.849,1005 4.031,1006 4.489,1007 5.017,1008 2.023,1009 6.645,1010 4.439,1011 6.212,1012 1.274,1013 7.397,1014 3.425,1015 4.007,1016 4.691,1017 0.325,1018 7.513,1019 3.94,1020 7.507,1021 1.249,1022 9.048,1023 3.314,1024 6.061,1025 7.131,1026 2.145,1027 10.637,1028 5.962,1029 8.837,1030 1,1031 10.761,1032 2.818,1033 6.415,1034 7.616,1035 0.766,1036 12.357,1037 6.3,1038 10.199,1039 0.788,1040 12.515,1041 2.136,1042 7.923,1043 9.514,1044 2.343,1045 15.006,1046 7.775,1047 11.584,1048 0.671,1049 14.298,1050 1.944,1051 8.682,1052 10.401,1053 1.259,1054 17.094,1055 8.515,1056 12.989,1057 0.198,1058 16.102,1059 1.46,1060 9.965,1061 12.052,1062 2.593,1063 19.58,1064 9.767,1065 3.234,1066 -0.085,1067 17.922,1068 0.497,1069 10.928,1070 13.16,1071 1.765,1072 21.836,1073 10.704,1074 2.802,1075 11.123,1076 19.756,1077 -0.194,1078 12.121,1079 14.687,1080 2.884,1081 24.266,1082 11.866,1083 2.523,1084 8.931,1085 21.6,1086 4.136,1087 13.184,1088 15.921,1089 2.27,1090 26.6,1091 12.899,1092 2.491,1093 8.009,1094 23.454,1095 3.618,1096 14.347,1097 17.385,1098 3.21,1099 29.011,1100 14.029,1101 2.094,1102 6.965,1103 25.315,1104 3.444,1105 15.459,1106 18.693,1107 2.771,1108 31.382,1109 15.108,1110 2.057,1111 6.344,1112 27.182,1113 3.153,1114 16.614,1115 20.127,1116 3.563,1117 33.787,1118 16.23,1119 1.75,1120 5.76,1121 29.055,1122 2.788,1123 17.751,1124 21.477,1125 3.266,1126 36.176,1127 17.333,1128 11766,1129 19872,1130 21.671,1131 33.478,1132 48.578,1133 49.607,1134 48.525,1135 47.336,1136 47.279,1137 61.616,1138 6.628,1139 133.51,1140 46.107,1141 5.487,1142 5.806,1143 6.589,1144 5.275,1145 5.234,1146 7.136,1147 2.38,1148 18.66,1149 5.133,1150 12.078,1151 1.518,1152 1.55,1153 1.516,1154 1.479,1155 1.477,1156 1.925,1157 0.207,1158 4.172,1159 1.441,1160 4.036,1161 4.064,1162 4.006,1163 3.926,1164 7.431,1165 3.941,1166 3.901,1167 3.945,1168 3.826,1169 3.804,1170 7.425,1171 3.803,1172 3.783,1173 3.812,1174 3.731,1175 3.684,1176 6.47,1177 3.691,1178 3.62,1179 3.684,1180 3.491,1181 3.47,1182 4.897,1183 3.462,1184 3.362,1185 3.409,1186 3.285,1187 3.149,1188 4.835,1189 3.179,1190 3.205,1191 3.231,1192 3.138,1193 3.019,1194 4.463,1195 3.04,1196 3.099,1197 3.154,1198 2.98,1199 2.94,1200 4.196,1201 2.938,1202 2.934,1203 2.979,1204 2.823,1205 2.751,1206 4.008,1207 2.76,1208 0.142,1209 0.119,1210 0.212,1211 0.131,1212 0.101,1213 4.551,1214 0.129,1215 3.806,1216 0.039,1217 6.787,1218 0.348,1219 4.202,1220 0.098,1221 3.234,1222 4.136,1223 1.257,1224 11.123,1225 3.133,1226 1.96,1227 1.937,1228 2.04,1229 2.088,1230 1.324,1231 2.068,1232 1.88,1233 1.84,1234 2.02,1235 2.006,1236 1.122,1237 2.017,1238 1.751,1239 1.725,1240 1.876,1241 1.888,1242 1.005,1243 1.884,1244 1.615,1245 1.552,1246 1.817,1247 1.784,1248 0.924,1249 1.799,1250 1.279,1251 1.228,1252 1.521,1253 1.531,1254 0.686,1255 1.523,1256 1.125,1257 1.097,1258 1.265,1259 1.348,1260 0.329,1261 1.322,1262 1.069,1263 1.019,1264 1.254,1265 1.269,1266 0.289,1267 1.268,1268 0.88,1269 0.834,1270 1.116,1271 1.124,1272 0.236,1273 1.118,1274 4.174,1276 5.485,1278 7,1280 8.616,1282 10.29,1289 9.64,1290 3.263,1291 2.885,1295 1.332,1300 32.444,1301 77.82,1302 196.292,1303 245.511,1304 267.121,1305 267.121,1306 267.121,1307 58.1,1308 7.803,1309 96.59,1310 96.59,1311 24,1312 12.574,1313 4.17,1314 3.585,1315 45.141,1316 134,1317 144,1318 0.16,1319 199.193,1320 359.25,1321 477.791,1322 29536,1324 20.217,1325 0.697,1326 0.542,1327 20.217,1328 15.707,1329 14.114,1330 0.441,1331 0.295,1332 9.32,1333 13.618,1334 9.166,1335 7.592,1336 14.114,1337 9.439,1338 12.553,1339 0.285,1340 0.155,1341 12.553,1342 6.839,1343 10.656,1344 0.184,1345 0.082,1346 10.656,1347 4.754,1348 8.674,1349 0.116,1350 0.043,1351 8.674,1352 3.231,1353 7.417,1354 0.074,1355 0.022,1356 7.417,1357 2.247,1358 0.26,1359 88.317,1360 0.215,1361 28.244,1362 0.415,1363 152,1364 466.889,1365 166.498,1366 453.349,1367 614.8,1368 422,1369 178,1370 449.796,1371 192.806,1372 455.413,1373 665.42,1374 429,1375 7.222} {0 CHEMBL57489,1 1.651,2 13.759,3 2.837,4 8.047,5 112.468,6 8.477,7 0.375,8 3.978,9 4.086,10 3.657,11 3.58,12 5.135,13 3.563,14 4.492,15 4.643,16 4.025,17 3.969,18 5.649,19 3.928,20 4.769,21 4.966,22 4.101,23 4.087,24 5.905,25 4.027,26 4.777,27 4.99,28 3.996,29 3.976,30 5.983,31 3.913,32 4.644,33 4.855,34 3.843,35 3.883,36 5.767,37 3.809,38 4.584,39 4.795,40 3.856,41 3.805,42 5.882,43 3.718,44 4.496,45 4.728,46 3.627,47 3.705,48 5.551,49 3.6,50 4.376,51 4.595,52 3.512,53 3.575,54 5.509,55 3.491,56 0.045,57 0.694,58 7.558,59 3.997,60 7.927,61 4.893,62 0.236,63 1.13,64 15.184,65 6.793,66 21.306,67 8.611,68 0.274,69 1.384,70 26.039,71 9.66,72 41.725,73 12.348,74 0.569,75 1.351,76 27.637,77 9.201,78 72.489,79 11.469,80 0.356,81 1.174,82 22.907,83 8.439,84 55.123,85 10.469,86 0.565,87 1.088,88 23.002,89 8.155,90 86.596,91 10.548,92 0.305,93 1.006,94 21.723,95 7.608,96 42.908,97 9.847,98 0.279,99 0.883,100 19.749,101 6.545,102 41.341,103 8.22,104 10,105 44,106 0.277,107 0.662,108 0.834,109 0.91,110 0.91,111 0.91,112 3.407,113 0.917,114 -4.3,115 -4.24,116 -4,118 45.8,120 3,124 1,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 9,171 2,172 10,175 1,177 2,180 10,186 8,191 2,194 5,197 2,198 12,201 1,203 2,206 7,210 3,215 1,218 7,221 2,222 5,225 2,227 2,229 8,234 3,237 1,239 2,242 5,247 6,252 2,255 5,258 1,259 5,267 5,270 1457,271 19.775,272 19.775,273 19.775,274 19.775,275 19.775,276 17.568,277 23.593,278 11.851,279 20.145,280 15.81,281 15.81,282 15.81,283 15.81,284 15.81,285 12.3,286 26.324,287 5.683,288 16.425,289 3.934,290 1.642,291 0.617,292 0.167,293 0.167,294 0.167,295 4.107,297 1,299 1,300 1,301 874,302 3.464,306 311.417,310 228.59,313 2.197,314 32.205,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 62.333,326 399,327 4.549,328 3.806,329 6.785,330 4.199,331 3.232,332 4.134,333 1.257,334 11.11,335 3.125,336 4.179,337 3.548,338 6.123,339 3.795,340 2.801,341 3.617,342 1.058,343 8.924,344 2.786,345 3.896,346 2.988,347 5.874,348 3.513,349 2.523,350 3.444,351 0.78,352 8.011,353 2.498,354 3.825,355 2.895,356 5.34,357 3.448,358 2.498,359 3.154,360 0.219,361 6.965,362 2.354,363 3.599,364 2.718,365 5.335,366 3.133,367 2.176,368 2.879,370 6.555,371 2.066,372 3.291,373 2.471,374 4.891,375 2.854,376 1.945,377 2.48,379 5.529,380 1.723,381 2.985,382 1.95,383 4.251,384 2.723,385 1.75,386 2.121,388 4.023,389 1.664,390 2.93,391 1.803,392 4.133,393 2.476,394 1.51,395 1.959,397 3.433,398 1.453,399 2.752,400 1.567,401 3.736,402 2.291,403 1.3,404 1.774,406 3.316,407 1.282,408 2.57,409 1.549,410 3.589,411 2.228,412 1.239,413 1.533,415 2.817,416 1.22,417 2.5,418 1.358,419 3.497,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.47,427 1.034,428 3.247,429 1.853,430 0.848,431 1.242,433 2.09,434 0.834,435 1.872,436 1,437 3.05,438 1.67,439 0.676,440 0.767,442 1.462,443 0.667,444 1.674,445 0.629,446 2.904,447 1.065,448 0.078,449 0.108,451 0.204,452 0.075,453 1.211,454 0.424,455 2.664,456 0.872,457 -0.117,458 -0.137,460 -0.265,461 -0.108,462 13.981,463 0.482,464 0.644,465 0.022,466 39,467 1.345,468 20,469 0.69,470 19,471 0.655,472 22.379,473 0.772,474 29.819,475 0.621,476 28.834,477 0.994,478 7.657,479 0.264,480 6.457,481 0.223,482 0.099,484 0.315,487 0.643,488 1.279,489 0.595,490 0.941,491 0.52,492 0.859,493 0.621,494 1.123,495 0.716,496 0.951,497 0.549,498 0.946,499 0.93,500 1.164,501 0.886,502 1.039,503 0.83,504 0.969,505 1.223,506 0.896,507 0.914,508 0.898,509 1.355,510 0.931,511 1.25,512 0.965,513 0.843,514 0.903,515 1.383,516 0.945,517 0.694,518 0.963,519 0.822,520 1.024,521 0.863,522 1.034,523 1.011,524 0.949,525 0.955,526 0.972,527 1.004,528 1.001,529 1.256,530 1.008,531 1.083,532 1.028,533 1.231,534 1.015,535 5,536 0.087,537 3.111,538 1.75,539 1.773,540 0.868,541 0.524,542 0.314,543 0.263,544 0.177,545 12602,546 37095,547 2.111,548 39.6,549 4,550 9,551 1,552 2,553 1,555 2,558 1.712,559 2,560 3.703,561 -0.336,562 1,563 1,567 79.26,568 1.651,569 3.943,570 4.968,571 5.418,572 5.418,573 5.418,574 3.254,575 4.349,576 4.825,577 3.892,578 1580.07,579 8.367,580 22473.7,582 1,584 1,585 268.078,586 1.314,587 4.8,588 0.156,589 0.004,590 0.071,591 0.038,592 0.045,593 0.026,594 0.017,595 0.012,596 0.011,597 0.008,598 0.388,599 0.17,600 1,601 0.506,602 150.773,603 -0.038,604 -0.164,605 0.024,606 -0.037,607 -0.023,608 0.004,609 0.105,610 -0.032,611 0.009,612 -0.037,613 0.053,614 -0.051,615 -0.048,616 -0.169,617 0.023,618 -0.074,619 0.019,620 0.002,621 -0.028,622 0.104,623 -0.006,624 0.046,625 -0.059,626 0.02,627 -0.161,628 0.003,629 0.008,630 0.057,631 -0.151,632 0.029,633 0.365,634 -0.01,635 0.119,636 -0.045,637 0.29,638 -0.043,639 -0.061,640 0.003,641 0.018,642 0.015,643 -0.055,644 0.013,645 -0.159,646 -0.05,647 -0.081,648 -0.048,649 -0.076,650 -0.025,651 1.896,652 5.751,653 0.69,654 34.214,655 1.009,656 1.118,657 3.07,658 9.423,659 0.706,660 3.497,661 3.807,662 4.078,663 4.331,664 4.605,665 4.691,666 4.796,667 4.942,668 5.063,669 5.024,670 7.844,671 0.678,672 406.9,673 3.497,674 5.03,675 5.878,676 6.749,677 7.616,678 8.498,679 9.376,680 10.265,681 11.15,682 12.045,683 8.3,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,723 1,724 48,726 17,727 1,728 32,730 51,731 22,733 11,734 3,735 3,736 7,739 4,740 7,741 1,751 3,753 18,754 4,756 5,761 2,763 3,764 1,765 4,769 1,772 19,773 6,774 1,775 7,776 1,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,837 1,840 29,846 4,847 1,851 1,861 1,862 4.2,865 2,869 14.5,870 8.66,871 6.389,872 2.963,874 3.232,875 1.414,876 1.003,877 5.772,878 11.035,879 3.784,880 4.331,881 4.89,882 5.414,883 5.961,884 6.22,885 6.544,886 6.947,887 7.348,888 7.567,889 1,890 46,891 10.739,893 4.63,894 7.843,895 20.277,897 16.642,899 2.343,900 67.944,903 1,904 211.88,905 130.737,906 54.706,907 39.149,908 50.29,911 130.737,912 301.318,913 54.706,915 39.892,916 66.334,917 102.355,918 50.694,919 11.771,920 176.567,921 39.149,922 211.88,923 185.443,924 50.29,925 39.149,927 188.338,928 73.832,931 65.725,932 83.98,933 74.887,935 211.88,936 104.996,937 169.885,940 211.88,941 37.261,942 96.6,943 18.011,944 123.01,945 211.88,946 104.996,947 169.885,949 0.577,950 0.335,951 0.179,952 0.101,953 21,954 9,955 0.118,956 6,957 2,958 1.2,959 4.214,960 247.335,961 0.2,962 20,963 140.881,968 19.409,969 8.624,970 4.408,972 104.996,973 12.541,974 4.097,978 2.704,980 18.011,981 486.761,982 43,987 25.218,989 4.867,990 4.457,991 0.448,994 48.454,995 53.678,996 0.296,997 0.706,998 0.89,999 0.97,1000 0.97,1001 0.97,1002 5.017,1003 1.51,1004 5.849,1005 4.023,1006 4.489,1007 5.017,1008 2.023,1009 6.645,1010 4.42,1011 6.212,1012 1.3,1013 7.397,1014 3.433,1015 4.007,1016 4.691,1017 0.325,1018 7.513,1019 3.892,1020 7.507,1021 1.239,1022 9.048,1023 3.316,1024 6.061,1025 7.131,1026 2.145,1027 10.637,1028 5.935,1029 8.837,1030 1,1031 10.761,1032 2.817,1033 6.415,1034 7.616,1035 0.766,1036 12.355,1037 6.259,1038 10.199,1039 0.848,1040 12.515,1041 2.136,1042 7.923,1043 9.514,1044 2.343,1045 15.003,1046 7.747,1047 11.584,1048 0.676,1049 14.298,1050 2.09,1051 8.682,1052 10.401,1053 1.259,1054 17.089,1055 8.481,1056 12.989,1057 0.078,1058 16.102,1059 1.462,1060 9.965,1061 12.052,1062 2.593,1063 19.574,1064 9.738,1065 3.232,1066 -0.117,1067 17.922,1068 0.204,1069 10.927,1070 13.159,1071 1.765,1072 21.828,1073 10.673,1074 2.801,1075 11.11,1076 19.755,1077 -0.265,1078 12.12,1079 14.686,1080 2.884,1081 24.256,1082 11.836,1083 2.523,1084 8.924,1085 21.599,1086 4.134,1087 13.182,1088 15.919,1089 2.27,1090 26.589,1091 12.867,1092 2.498,1093 8.011,1094 23.452,1095 3.617,1096 14.343,1097 17.383,1098 3.21,1099 28.998,1100 13.997,1101 2.176,1102 6.965,1103 25.312,1104 3.444,1105 15.455,1106 18.689,1107 2.771,1108 31.367,1109 15.075,1110 1.945,1111 6.555,1112 27.179,1113 3.154,1114 16.609,1115 20.122,1116 3.563,1117 33.772,1118 16.195,1119 1.75,1120 5.529,1121 29.052,1122 2.879,1123 17.746,1124 21.472,1125 3.266,1126 36.159,1127 17.296,1128 11824,1129 20508,1130 21.671,1131 33.881,1132 48.56,1133 49.787,1134 48.507,1135 47.37,1136 47.147,1137 61.423,1138 6.628,1139 133.147,1140 45.401,1141 5.486,1142 5.806,1143 6.587,1144 5.272,1145 5.232,1146 7.134,1147 2.38,1148 18.652,1149 5.125,1150 12.14,1151 1.518,1152 1.556,1153 1.516,1154 1.48,1155 1.473,1156 1.919,1157 0.207,1158 4.161,1159 1.419,1160 4.036,1161 4.064,1162 4.066,1163 3.936,1164 7.431,1165 3.946,1166 3.901,1167 3.945,1168 3.837,1169 3.805,1170 7.425,1171 3.804,1172 3.782,1173 3.811,1174 3.808,1175 3.692,1176 4.972,1177 3.696,1178 3.619,1179 3.683,1180 3.548,1181 3.471,1182 4.894,1183 3.462,1184 3.358,1185 3.407,1186 3.402,1187 3.16,1188 4.709,1189 3.185,1190 3.206,1191 3.226,1192 3.2,1193 3.041,1194 4.302,1195 3.054,1196 3.092,1197 3.151,1198 3.001,1199 2.94,1200 4.178,1201 2.935,1202 2.899,1203 2.96,1204 2.909,1205 2.746,1206 4.01,1207 2.743,1208 0.142,1209 0.119,1210 0.212,1211 0.131,1212 0.101,1213 4.549,1214 0.129,1215 3.806,1216 0.039,1217 6.785,1218 0.347,1219 4.199,1220 0.098,1221 3.232,1222 4.134,1223 1.257,1224 11.11,1225 3.125,1226 1.962,1227 1.94,1228 2.039,1229 2.083,1230 1.324,1231 2.065,1232 1.88,1233 1.84,1234 2.013,1235 2.005,1236 1.128,1237 2.017,1238 1.752,1239 1.726,1240 1.873,1241 1.881,1242 1.005,1243 1.881,1244 1.616,1245 1.552,1246 1.812,1247 1.777,1248 0.927,1249 1.796,1250 1.279,1251 1.228,1252 1.52,1253 1.524,1254 0.686,1255 1.521,1256 1.119,1257 1.097,1258 1.268,1259 1.323,1260 0.332,1261 1.3,1262 1.069,1263 1.019,1264 1.206,1265 1.266,1266 0.263,1267 1.267,1268 0.881,1269 0.823,1270 1.138,1271 1.086,1272 0.236,1273 1.104,1274 4.174,1276 5.485,1278 7,1280 8.616,1282 10.29,1285 5.99,1290 3.321,1291 2.906,1295 1.396,1300 32.557,1301 79.26,1302 189.249,1303 238.469,1304 260.078,1305 260.078,1306 260.078,1307 54.687,1308 7.803,1309 76.36,1310 76.36,1311 24,1312 12.573,1313 4.17,1314 3.585,1315 45.161,1316 135,1317 144,1318 0.159,1319 203.53,1320 365.67,1321 488.372,1322 29536,1323 2.1,1324 20.217,1325 0.697,1326 0.565,1327 20.717,1328 16.394,1329 14.114,1330 0.441,1331 0.306,1332 9.331,1333 13.38,1334 9.133,1335 7.553,1336 14.403,1337 9.783,1338 12.553,1339 0.285,1340 0.164,1341 12.962,1342 7.235,1343 10.65,1344 0.184,1345 0.086,1346 10.912,1347 4.969,1348 8.735,1349 0.116,1350 0.045,1351 8.97,1352 3.383,1353 7.239,1354 0.073,1355 0.024,1356 7.47,1357 2.369,1358 0.259,1359 90.915,1360 0.215,1361 28.275,1362 0.412,1363 152,1364 460.943,1365 179.913,1366 479.095,1367 642.48,1368 446,1369 178,1370 447.628,1371 200.903,1372 463.75,1373 678.61,1374 437,1375 7.699} {0 CHEMBL57513,1 1.46,2 6.688,3 2.524,4 6.369,5 69.745,6 7.679,7 0.556,8 3.501,9 3.616,10 3.193,11 3.168,12 4.471,13 3.084,14 4.042,15 4.219,16 3.511,17 3.579,18 4.92,19 3.457,20 4.213,21 4.438,22 3.311,23 3.613,24 4.946,25 3.424,26 4.181,27 4.417,28 3.199,29 3.525,30 4.927,31 3.322,32 4.103,33 4.376,34 2.928,35 3.314,36 4.771,37 3.093,38 3.901,39 4.173,40 2.944,41 3.131,42 4.618,43 2.969,44 3.762,45 4.015,46 2.931,47 3.087,48 4.602,49 2.921,50 3.559,51 3.819,52 2.585,53 2.782,54 4.363,55 2.533,56 0.025,57 0.436,58 6.65,59 2.949,60 5.099,61 3.852,62 0.116,63 0.755,64 13.579,65 5.262,66 9.469,67 6.725,68 0.089,69 0.83,70 18.165,71 7.225,72 9.798,73 9.181,74 0.08,75 0.796,76 17.015,77 6.859,78 11.492,79 8.876,80 0.097,81 0.736,82 17.313,83 6.37,84 10.505,85 8.124,86 0.099,87 0.617,88 14.142,89 4.793,90 8.256,91 6.275,92 0.079,93 0.537,94 10.696,95 3.954,96 9.765,97 5.224,98 0.079,99 0.45,100 11.247,101 3.652,102 9.277,103 4.463,105 24,106 0.278,107 0.671,108 0.859,109 0.884,110 0.884,111 0.884,112 2.853,113 1.088,114 -3.98,115 -3.93,116 -3.73,118 43.3,120 3,124 1,133 1,134 1,140 1,141 1,143 1,149 2,150 1,156 1,168 6,171 1,172 1,180 10,186 1,194 8,198 3,206 4,210 3,222 4,234 2,247 2,270 258,271 11.276,272 11.276,273 11.276,274 11.276,275 11.276,276 9.811,277 12.877,278 6.856,279 11.663,280 8.915,281 8.915,282 8.915,283 8.915,284 8.915,285 6.77,286 15.06,287 3.252,288 9.516,289 3.447,290 1.384,291 0.4,292 0.267,293 0.267,294 0.267,295 3.533,299 1,300 1,301 238,302 2,305 69.755,306 37.803,309 56.724,313 1.016,314 4.08,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 33,326 107,327 4.397,328 3.2,329 6.512,330 4.017,331 3.047,332 4.01,333 0.522,334 10.216,335 2.957,336 3.926,337 2.706,338 5.374,339 3.455,340 2.541,341 3.485,343 7.037,344 2.323,345 3.515,346 2.342,347 5.172,348 3.022,349 2.087,350 2.795,352 6.181,353 1.934,354 2.756,355 1.67,356 4.128,357 2.539,358 1.548,359 1.817,361 3.687,362 1.531,363 2.665,364 1.522,365 3.557,366 2.241,367 1.311,368 1.721,370 2.841,371 1.215,372 2.387,373 1.046,374 3.405,375 1.924,376 1,377 1.33,379 2.235,380 0.906,381 2.171,382 0.914,383 3.237,384 1.697,385 0.79,386 1.055,388 1.907,389 0.702,390 2.118,391 0.618,392 3,393 1.554,394 0.618,395 0.927,397 1.372,398 0.577,399 1.509,400 0.531,401 2.829,402 1.249,403 0.316,404 0.369,406 0.749,407 0.291,408 0.831,409 -0.321,410 2.352,411 0.503,412 -0.466,413 -0.56,415 -1.154,416 -0.448,417 0.21,418 -0.702,419 2.07,420 -0.049,421 -1,422 -1.113,424 -2.424,425 -0.923,426 0.148,427 -0.926,428 1.674,429 -0.146,430 -1.086,431 -1.268,433 -2.63,434 -1.016,435 -0.087,436 -1.469,437 1.497,438 -0.649,439 -1.567,440 -2.026,442 -3.963,443 -1.345,444 -0.118,445 -1.589,446 1,447 -0.68,448 -1.618,449 -2.301,451 -4.372,452 -1.473,453 -0.213,454 -1.618,455 0.827,456 -0.708,457 -1.649,458 -2.427,460 -4.618,461 -1.578,462 8.133,463 0.508,464 0.239,465 0.015,466 19.75,467 1.234,468 9.5,469 0.594,470 10.25,471 0.641,472 11.8,473 0.738,474 16.467,475 0.549,476 9.409,477 0.588,478 3.57,479 0.223,480 4.363,481 0.273,484 0.234,487 0.86,488 1.202,489 0.74,490 0.894,491 0.642,492 0.902,493 1.232,494 0.861,495 0.964,496 0.864,497 0.922,498 0.907,499 0.785,500 0.982,501 1.102,502 1.102,503 0.84,504 1.096,505 0.743,506 1.08,507 1.028,508 1.112,509 0.993,510 1.161,511 0.941,512 1.061,513 1.075,514 1.09,515 0.9,516 1.066,517 1.008,518 1,519 0.887,520 0.921,521 0.715,522 0.837,523 1.302,524 0.853,525 0.787,526 0.74,527 1.28,528 0.856,529 1.249,530 1.257,531 1.373,532 1.332,533 1.705,534 1.188,535 2,537 1.556,538 0.535,539 0.418,540 0.201,541 0.109,542 0.084,543 0.01,545 2226,546 5248,547 2.213,548 46.7,549 4,550 4,551 2,552 2,554 2,558 1.547,559 2.182,560 2.793,561 -0.795,563 1,564 1,565 1,567 43.798,568 1.46,569 3.523,570 4.507,571 4.64,572 4.64,573 4.64,574 2.127,575 3.75,576 3.977,577 2.911,578 349.364,579 6.676,580 3050.97,581 1,582 1,584 1,585 147.207,586 0.811,587 3.975,588 0.111,590 0.065,591 0.028,592 0.026,593 0.017,594 0.008,595 0.007,596 0.002,598 0.264,599 1,600 1,602 64.468,603 0.077,604 -0.154,605 0.091,606 0.008,607 0.224,608 0.014,609 -0.058,610 0.204,611 -0.03,612 0.075,613 -0.01,614 0.015,615 -0.093,616 -0.048,617 -0.129,618 -0.103,619 -0.097,620 -0.107,621 -0.043,622 -0.166,623 -0.112,624 -0.154,625 -0.129,626 -0.18,627 -0.03,628 -0.137,629 -0.092,630 -0.114,631 -0.062,632 -0.083,633 0.106,634 -0.042,635 0.082,636 0.027,637 0.179,638 0.129,639 -0.125,640 0.133,641 0.089,642 0.149,643 -0.019,644 0.081,645 -0.027,646 -0.248,647 -0.114,648 -0.217,649 -0.216,650 -0.205,651 0.565,652 1.056,653 0.875,654 8.625,655 0.986,656 1.114,657 2.753,658 7.576,659 0.708,660 2.944,661 3.219,662 3.497,663 3.738,664 3.738,665 3.761,666 3.829,667 3.892,668 3.738,669 3.664,670 4.36,671 0.646,672 230.36,673 2.944,674 4.443,675 5.283,676 6.138,677 6.991,678 7.851,679 8.71,680 9.572,681 10.434,682 11.298,683 6.7,691 1,693 1,699 5,700 1,703 1,704 2,705 1,706 10,724 30,726 11,728 18,730 32,731 13,733 7,736 2,739 3,740 4,748 3,751 3,753 9,754 4,756 1,763 1,765 1,769 1,772 14,773 1,775 3,776 1,778 1,779 2,784 0.667,801 2,802 1,805 1,822 1,823 1,832 2,834 1,840 16,846 4,856 1,869 7.333,870 5.317,871 3.556,872 1.894,874 2.238,875 1.362,876 1.025,877 2.81,878 8.42,879 3.219,880 3.773,881 4.327,882 4.855,883 4.895,884 5.188,885 5.496,886 5.814,887 6.042,888 6.236,889 1,890 19,891 5.914,893 2.465,894 7.365,895 11.855,897 9.959,899 1.865,900 29.833,901 0.008,904 164.795,905 102.032,906 18.685,910 31.278,911 70.754,912 164.795,913 18.685,915 9.709,916 35.649,917 48.946,918 17.318,919 24.901,920 148.989,922 164.795,923 89.438,925 31.278,927 164.795,931 29.274,932 33.902,933 26.262,934 31.278,935 164.795,936 18.685,937 102.032,940 164.795,941 48.717,942 55.214,944 16.786,945 164.795,946 18.685,947 102.032,949 0.567,950 0.336,951 0.187,952 0.078,953 13,954 4,955 0.063,956 2,957 1,958 1.143,959 3.024,960 108.305,961 0.143,962 14,963 64,964 1,968 10.124,969 4.44,970 2.091,972 16.786,973 10.179,974 4.056,977 1.892,978 3.041,979 2.105,981 285.512,982 24,989 2.34,991 1.51,994 29.582,995 33.408,996 0.298,997 0.718,998 0.918,999 0.946,1000 0.946,1001 0.946,1002 4.413,1003 0.618,1004 5.22,1005 1.907,1006 3.892,1007 4.454,1008 0.434,1009 5.979,1010 3.777,1011 5.583,1012 0.316,1013 6.735,1014 1.372,1015 3.219,1016 3.98,1018 6.783,1019 3.071,1020 6.861,1021 -0.466,1022 8.355,1023 0.749,1024 5.416,1025 6.573,1026 0.138,1027 9.892,1028 5.214,1029 8.184,1030 -1,1031 10.045,1032 -1.154,1033 5.707,1034 7.099,1036 11.626,1037 5.47,1038 9.544,1039 -1.086,1040 11.781,1041 -2.424,1042 7.244,1043 8.972,1044 0.039,1045 14.203,1046 6.976,1047 10.93,1048 -1.567,1049 13.549,1050 -2.63,1051 7.972,1052 9.946,1054 16.29,1055 7.674,1056 12.334,1057 -1.618,1058 15.341,1059 -3.963,1060 9.247,1061 11.527,1062 0.011,1063 18.703,1064 8.926,1065 3.047,1066 -1.649,1067 17.149,1068 -4.372,1069 10.178,1070 12.712,1072 20.93,1073 9.831,1074 2.541,1075 10.216,1076 18.97,1077 -4.618,1078 11.347,1079 14.171,1080 0.003,1081 23.288,1082 10.979,1083 2.087,1084 7.037,1085 20.801,1086 4.01,1087 12.373,1088 15.457,1090 25.571,1091 11.98,1092 1.548,1093 6.181,1094 22.64,1095 3.485,1096 13.501,1097 16.865,1098 0.001,1099 27.909,1100 13.087,1101 1.311,1102 3.687,1103 24.486,1104 2.795,1105 14.57,1106 18.198,1108 30.215,1109 14.132,1110 1,1111 2.841,1112 26.336,1113 1.817,1114 15.684,1115 19.587,1117 32.544,1118 15.223,1119 0.79,1120 2.235,1121 28.191,1122 1.721,1123 16.774,1124 20.944,1126 34.861,1127 16.288,1128 2117,1129 3323,1130 12.712,1131 21.228,1132 26.886,1133 26.66,1134 26.431,1135 26.495,1136 26.513,1137 35.016,1138 1.043,1139 72.45,1140 24.875,1141 5.339,1142 5.121,1143 6.145,1144 5.096,1145 5.047,1146 6.733,1147 1.043,1148 16.997,1149 4.957,1151 1.494,1152 1.481,1153 1.468,1154 1.472,1155 1.473,1156 1.945,1157 0.058,1158 4.025,1159 1.382,1160 4.021,1161 4.055,1162 4.251,1163 4.019,1164 4.959,1165 3.964,1166 3.88,1167 3.931,1168 3.862,1169 3.7,1170 4.691,1171 3.718,1172 3.451,1173 3.492,1174 3.503,1175 3.409,1176 4.157,1177 3.356,1178 3.292,1179 3.36,1180 3.128,1181 3.166,1182 3.844,1183 3.148,1184 2.843,1185 2.938,1186 2.716,1187 2.672,1188 3.482,1189 2.642,1190 2.538,1191 2.629,1192 2.439,1193 2.383,1194 3.32,1195 2.356,1196 2.455,1197 2.555,1198 2.32,1199 2.274,1200 3.141,1201 2.248,1202 2.149,1203 2.274,1204 2.245,1205 2.149,1206 2.889,1207 2.001,1208 0.244,1209 0.178,1210 0.362,1211 0.223,1212 0.169,1213 4.397,1214 0.223,1215 3.2,1216 0.029,1217 6.512,1218 0.568,1219 4.017,1220 0.164,1221 3.047,1222 4.01,1223 0.522,1224 10.216,1225 2.957,1226 1.889,1227 1.858,1228 2.036,1229 1.991,1230 1.362,1231 2.01,1232 1.58,1233 1.519,1234 1.768,1235 1.792,1236 0.996,1237 1.792,1238 1.412,1239 1.389,1240 1.545,1241 1.527,1242 0.699,1243 1.545,1244 1.302,1245 1.237,1246 1.482,1247 1.493,1248 0.614,1249 1.513,1250 1.118,1251 1.069,1252 1.351,1253 1.294,1254 0.486,1255 1.323,1256 1.071,1257 1.025,1258 1.214,1259 1.16,1260 0.368,1261 1.234,1262 0.674,1263 0.577,1264 0.977,1265 0.894,1266 0.185,1267 0.967,1268 0.176,1269 0.05,1270 0.668,1271 0.475,1273 0.563,1274 3.611,1276 4.89,1277 3.045,1278 6.358,1279 5.209,1280 7.919,1281 7.14,1282 9.533,1290 4.71,1300 19.391,1301 43.798,1302 105.697,1303 135.207,1304 139.207,1305 139.207,1306 139.207,1307 13.866,1308 6.182,1309 17.82,1310 46.06,1311 16,1312 11.846,1313 3.585,1314 2.807,1315 21.891,1316 41,1317 34,1318 0.263,1319 123.373,1320 201.89,1321 292.791,1322 3422,1324 10.795,1325 0.675,1326 0.619,1327 11.148,1328 9.912,1329 7.933,1330 0.441,1331 0.363,1332 5.68,1333 7.266,1334 5.472,1335 4.519,1336 8.387,1337 6.528,1338 6.774,1339 0.282,1340 0.213,1341 7.357,1342 5.101,1343 5.894,1344 0.184,1345 0.126,1346 6.537,1347 4.03,1348 5.008,1349 0.122,1350 0.077,1351 5.722,1352 3.173,1353 3.26,1354 0.08,1355 0.05,1356 3.775,1357 2.03,1358 0.402,1359 53.25,1360 0.28,1361 16.236,1362 0.742,1363 84,1364 194.151,1365 109.807,1366 214.686,1367 300.81,1368 204,1369 98,1370 209.33,1371 120.397,1372 229.157,1373 331.84,1374 216,1375 5.77} {0 CHEMBL57576,1 1.501,2 16.028,3 4.676,4 21.866,5 136.748,6 7.644,7 0.59,8 4.227,9 4.331,10 3.806,11 3.806,12 5.402,13 3.786,14 4.717,15 4.865,16 4.116,17 4.167,18 5.918,19 4.118,20 4.968,21 5.172,22 4.12,23 4.269,24 6.04,25 4.185,26 4.999,27 5.209,28 4.1,29 4.245,30 6.084,31 4.163,32 4.981,33 5.192,34 4.079,35 4.268,36 6.012,37 4.178,38 5.009,39 5.224,40 4.074,41 4.259,42 6.084,43 4.167,44 4.958,45 5.176,46 4.037,47 4.191,48 6.027,49 4.107,50 4.903,51 5.118,52 3.996,53 4.128,54 5.941,55 4.05,56 0.044,57 0.843,58 11.817,59 5.782,60 12.778,61 7.099,62 0.304,63 1.347,64 21.311,65 9.396,66 48.617,67 12.099,68 0.331,69 1.655,70 30.725,71 12.557,72 63.625,73 16.605,74 0.521,75 1.687,76 32.722,77 12.348,78 75.508,79 16.26,80 0.323,81 1.675,82 31.522,83 12.504,84 56.551,85 16.543,86 0.338,87 1.7,88 32.887,89 12.885,90 65.27,91 17.049,92 0.323,93 1.629,94 31.344,95 11.903,96 62.948,97 15.823,98 0.309,99 1.525,100 29.738,101 11.264,102 52.251,103 14.835,104 16,105 51,106 0.237,107 0.582,108 0.748,109 0.843,110 0.879,111 0.879,112 3.615,113 0.908,114 -4.69,115 -4.6,116 -4.33,118 46,120 4,124 1,133 1,134 1,140 11,141 4,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 21,169 1,171 1,172 5,175 2,177 2,180 23,181 1,185 1,186 7,189 1,191 3,194 20,195 1,197 1,198 8,201 1,203 3,206 16,207 1,210 10,215 3,218 15,219 1,222 13,227 3,229 12,230 1,234 14,239 3,242 9,243 2,247 11,252 3,255 8,256 3,258 2,259 9,260 1,264 4,267 9,268 3,270 2680,271 24.673,272 24.673,273 24.673,274 24.673,275 24.673,276 21.459,277 13.313,278 15.171,279 24.826,280 19.297,281 19.297,282 19.297,283 19.297,284 19.297,285 14.515,286 11.542,287 7.272,288 19.52,289 4.476,290 2.296,291 1.245,292 0.641,293 0.413,294 0.413,295 4.312,300 1,301 1228,302 4.359,305 120.954,306 430.295,313 2.531,314 34.423,317 1,318 0.67,319 0.83,320 0.6,321 0.5,322 0.83,323 0.5,324 0.7,325 77.5,326 577,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.566,338 6.248,339 3.927,340 2.943,341 3.89,342 1.081,343 9.414,344 2.889,345 3.97,346 3.043,347 5.907,348 3.621,349 2.626,350 3.469,351 0.473,352 8.19,353 2.609,354 3.877,355 2.833,356 5.338,357 3.478,358 2.479,359 3.424,361 6.954,362 2.474,363 3.636,364 2.72,365 5.239,366 3.24,367 2.235,368 3.058,370 6.366,371 2.222,372 3.55,373 2.262,374 4.659,375 3.192,376 2.204,377 2.71,379 5.184,380 2.177,381 3.263,382 2.034,383 4.532,384 2.786,385 1.799,386 2.528,388 4.632,389 1.772,390 2.999,391 1.892,392 4.161,393 2.635,394 1.642,395 2.161,397 3.832,398 1.626,399 2.9,400 1.646,401 3.916,402 2.493,403 1.504,404 2.056,406 3.243,407 1.487,408 2.756,409 1.533,410 3.634,411 2.413,412 1.426,413 1.795,415 3.105,416 1.402,417 2.5,418 1.307,419 3.59,420 2.077,421 1.093,422 1.5,424 2.787,425 1.072,426 2.5,427 1.175,428 3.414,429 2,430 1,431 1.5,433 2.33,434 1,435 2.5,436 1.052,437 3.391,438 2,439 1,440 1.5,442 2.275,443 1,444 2.496,445 1,446 3.269,447 1.961,448 1,449 1.458,451 2.136,452 0.958,453 2.374,454 1,455 3.247,456 1.954,457 0.974,458 1.274,460 2.136,461 0.951,462 17.033,463 0.473,464 0.661,465 0.018,466 48.75,467 1.354,468 26.5,469 0.736,470 22.25,471 0.618,472 28.344,473 0.787,474 37.567,475 0.596,476 39.614,477 1.1,478 9.889,479 0.275,480 7.708,481 0.214,482 0.059,484 0.264,487 0.765,488 1.144,489 0.772,490 1.005,491 0.656,492 0.908,493 0.607,494 1.117,495 0.906,496 1.076,497 0.49,498 1.044,499 0.782,500 1.035,501 0.932,502 1.031,503 0.849,504 1.016,505 0.976,506 0.986,507 1.014,508 0.958,509 0.969,510 0.985,511 0.898,512 1.004,513 1.002,514 0.998,515 0.792,516 1.011,517 0.942,518 1.045,519 1.001,520 1.026,521 0.925,522 1.024,523 0.971,524 1.047,525 0.991,526 1.012,527 0.956,528 1.001,529 1.037,530 1.041,531 0.98,532 1.014,533 0.817,534 0.988,535 5.5,536 0.2,537 3.556,538 1.5,539 1.224,540 0.983,541 0.571,542 0.401,543 0.414,544 0.305,545 22104,546 62547,547 2.089,548 42.9,549 6,550 14,551 1,552 2,553 2,554 2,558 1.772,559 2,560 3.92,561 0.121,567 94.55,568 1.501,569 3.682,570 4.733,571 5.337,572 5.565,573 5.565,574 3.436,575 4.406,576 5.133,577 4.138,578 2606.75,579 9.019,580 44715.3,585 376.569,586 1.189,587 5.121,588 0.141,589 0.005,590 0.07,591 0.03,592 0.026,593 0.02,594 0.012,595 0.009,596 0.01,597 0.007,598 0.33,599 0.17,600 0.75,601 1.304,602 201.358,603 -0.053,604 -0.051,605 0.027,606 0.008,607 -0.052,608 0.027,609 0.163,610 -0.051,611 -0.042,612 -0.081,613 0.146,614 -0.094,615 0.022,616 -0.045,617 0.013,618 -0.031,619 -0.015,620 -0.019,621 0.003,622 0.013,623 -0.034,624 0.021,625 -0.059,626 -0.008,627 -0.084,628 -0.008,629 -0.048,630 -0.005,631 -0.066,632 -0.017,633 -0.075,634 -0.066,635 -0.031,636 -0.034,637 -0.038,638 -0.027,639 -0.075,640 -0.048,641 -0.013,642 -0.034,643 -0.062,644 -0.014,645 -0.076,646 -0.051,647 0.005,648 -0.034,649 -0.056,650 -0.004,651 2.439,652 5.468,653 0.639,654 53.494,655 1.003,656 1.116,657 3.457,658 11.948,659 0.682,660 3.689,661 3.951,662 4.174,663 4.382,664 4.564,665 4.615,666 4.745,667 4.868,668 5.004,669 5.081,670 9.23,671 0.655,672 481.59,673 3.689,674 5.198,675 6.019,676 6.862,677 7.701,678 8.553,679 9.402,680 10.26,681 11.116,682 11.978,683 4.8,690 1,693 2,699 14,700 2,702 1,704 6,706 23,712 1,724 63,726 26,727 2,728 39,730 66,731 29,733 20,734 3,735 9,736 3,739 4,740 4,751 4,753 24,754 5,756 3,761 2,763 1,765 3,772 27,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 36,845 1,846 5,847 1,862 6.3,864 1,865 2,867 1,869 18,870 11.1,871 8.111,872 3.79,874 3.881,875 1.492,876 0.968,877 8.796,878 11.773,879 3.998,880 4.541,881 5.079,882 5.61,883 6.083,884 6.301,885 6.711,886 7.083,887 7.488,888 7.838,889 0.909,890 50,891 13.283,893 5.555,894 7.847,895 25.146,897 20.13,899 2.347,900 84.5,904 294.278,905 185.112,906 51.582,908 102.481,911 185.112,912 396.758,913 51.582,915 30.255,916 125.454,917 160.721,918 46.287,919 11.771,920 258.964,922 294.278,923 236.694,924 102.481,927 294.278,928 102.481,931 56.126,932 137.521,933 43.047,935 294.278,936 154.062,937 185.112,940 294.278,941 41.563,942 143.549,943 18.011,944 136.052,945 294.278,946 154.062,947 185.112,949 0.564,950 0.315,951 0.165,952 0.088,953 21,954 9,955 0.167,956 11,958 1,959 4.854,960 320.084,962 23,963 178.117,968 25.091,969 12.621,970 7.244,972 154.062,973 26.219,974 8.594,976 5.575,978 4.334,980 60.694,981 633.452,982 53.5,987 23.227,989 2.119,991 -0.043,994 63.218,995 70.315,996 0.251,997 0.616,998 0.792,999 0.893,1000 0.931,1001 0.931,1002 5.192,1003 1.642,1004 5.958,1005 4.632,1006 4.635,1007 5.228,1008 2.513,1009 6.693,1010 4.613,1011 6.369,1012 1.504,1013 7.466,1014 3.832,1015 4.007,1016 4.771,1017 2.243,1018 7.466,1019 3.99,1020 7.643,1021 1.426,1022 9.077,1023 3.243,1024 6.146,1025 7.338,1026 3.701,1027 10.549,1028 6.105,1029 8.953,1030 1.093,1031 10.754,1032 3.105,1033 6.399,1034 7.746,1035 4.112,1036 12.22,1037 6.359,1038 10.297,1039 1,1040 12.476,1041 2.787,1042 7.941,1043 9.719,1044 5.219,1045 14.784,1046 7.881,1047 11.665,1048 1,1049 14.229,1050 2.33,1051 8.611,1052 10.549,1053 5.889,1054 16.81,1055 8.548,1056 13.052,1057 1,1058 16.003,1059 2.275,1060 9.896,1061 12.244,1062 6.852,1063 19.2,1064 9.818,1065 3.042,1066 0.974,1067 17.794,1068 2.136,1069 10.776,1070 13.306,1071 7.625,1072 21.376,1073 10.692,1074 2.943,1075 10.188,1076 19.597,1077 2.136,1078 11.946,1079 14.856,1080 8.526,1081 23.703,1082 11.85,1083 2.626,1084 9.414,1085 21.41,1086 4.063,1087 12.932,1088 16.051,1089 9.342,1090 25.945,1091 12.828,1092 2.479,1093 8.19,1094 23.229,1095 3.89,1096 14.053,1097 17.522,1098 10.216,1099 28.252,1100 13.938,1101 2.235,1102 6.954,1103 25.055,1104 3.469,1105 15.093,1106 18.795,1107 11.051,1108 30.524,1109 14.969,1110 2.204,1111 6.366,1112 26.885,1113 3.424,1114 16.195,1115 20.224,1116 11.912,1117 32.826,1118 16.061,1119 1.799,1120 5.184,1121 28.719,1122 3.058,1123 17.261,1124 21.543,1125 12.755,1126 35.114,1127 17.119,1128 21165,1129 35755,1130 26.523,1131 42.972,1132 57.84,1133 58.762,1134 57.93,1135 56.987,1136 57.001,1137 76.836,1138 7.789,1139 152.755,1140 56.329,1141 5.282,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 14.905,1151 1.483,1152 1.507,1153 1.485,1154 1.461,1155 1.462,1156 1.97,1157 0.2,1158 3.917,1159 1.444,1160 4.047,1161 4.069,1162 4.005,1163 3.97,1164 7.474,1165 3.972,1166 3.916,1167 3.949,1168 3.858,1169 3.849,1170 7.429,1171 3.842,1172 3.878,1173 3.905,1174 3.822,1175 3.755,1176 6.351,1177 3.769,1178 3.732,1179 3.778,1180 3.667,1181 3.593,1182 5.149,1183 3.604,1184 3.713,1185 3.744,1186 3.597,1187 3.564,1188 4.916,1189 3.572,1190 3.46,1191 3.496,1192 3.367,1193 3.298,1194 4.754,1195 3.305,1196 3.358,1197 3.414,1198 3.263,1199 3.122,1200 4.661,1201 3.141,1202 3.136,1203 3.171,1204 3.025,1205 2.967,1206 4.23,1207 2.975,1208 0.113,1209 0.092,1210 0.167,1211 0.103,1212 0.078,1213 4.411,1214 0.104,1215 3.596,1216 0.06,1217 6.502,1218 0.261,1219 4.036,1220 0.078,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.911,1233 1.88,1234 2.04,1235 2.004,1236 1.163,1237 2.017,1238 1.798,1239 1.767,1240 1.955,1241 1.911,1242 1.151,1243 1.92,1244 1.717,1245 1.665,1246 1.901,1247 1.886,1248 0.963,1249 1.899,1250 1.524,1251 1.497,1252 1.645,1253 1.747,1254 0.835,1255 1.713,1256 1.431,1257 1.396,1258 1.636,1259 1.632,1260 0.711,1261 1.628,1262 1.198,1263 1.171,1264 1.418,1265 1.468,1266 0.496,1267 1.434,1268 1.179,1269 1.124,1270 1.34,1271 1.387,1272 0.477,1273 1.376,1274 4.369,1276 5.645,1277 2.398,1278 7.106,1279 4.595,1280 8.648,1281 6.605,1282 10.235,1289 8.845,1290 2.778,1291 2.85,1300 41.245,1301 94.55,1302 231.937,1303 298.15,1304 336.204,1305 350.569,1306 350.569,1307 72.439,1308 7.892,1309 105.32,1310 105.32,1311 23,1312 12.529,1313 4.755,1314 3.954,1315 62.318,1316 201,1317 200,1318 0.149,1319 254.759,1320 448.42,1321 613.372,1322 32658,1324 25.167,1325 0.699,1326 0.549,1327 25.167,1328 19.762,1329 17.597,1330 0.451,1331 0.303,1332 11.682,1333 17.059,1334 11.458,1335 9.537,1336 17.597,1337 11.808,1338 15.161,1339 0.297,1340 0.162,1341 15.161,1342 8.283,1343 12.236,1344 0.191,1345 0.088,1346 12.236,1347 5.641,1348 9.78,1349 0.124,1350 0.048,1351 9.78,1352 3.763,1353 7.678,1354 0.081,1355 0.026,1356 7.678,1357 2.477,1358 0.243,1359 109.587,1360 0.194,1361 33.859,1362 0.388,1363 180,1364 550.979,1365 195.458,1366 533.87,1367 719.37,1368 498,1369 205,1370 517.286,1371 219.438,1372 525.022,1373 758.07,1374 494,1375 7.607} {0 CHEMBL57716,1 1.529,2 14.594,3 2.882,4 8.308,5 123.292,6 7.423,7 0.343,8 4.149,9 4.266,10 3.714,11 3.694,12 5.258,13 3.675,14 4.684,15 4.854,16 4.065,17 4.067,18 5.778,19 4.029,20 4.952,21 5.157,22 4.13,23 4.189,24 6.032,25 4.135,26 4.958,27 5.184,28 4.05,29 4.141,30 6.072,31 4.072,32 4.871,33 5.078,34 3.973,35 4.102,36 5.99,37 4.018,38 4.881,39 5.119,40 3.889,41 4.043,42 6.005,43 3.939,44 4.78,45 5.015,46 3.805,47 3.917,48 5.841,49 3.837,50 4.693,51 4.915,52 3.71,53 3.815,54 5.831,55 3.759,56 0.017,57 0.84,58 11.576,59 5.231,60 8.353,61 6.812,62 0.242,63 1.344,64 22.103,65 8.642,66 26.259,67 11.642,68 0.335,69 1.624,70 31.35,71 11.098,72 48.13,73 14.932,74 0.502,75 1.605,76 32.511,77 10.956,78 68.808,79 15.046,80 0.454,81 1.475,82 28.837,83 10.649,84 59.321,85 14.485,86 0.479,87 1.462,88 30.247,89 10.868,90 85.875,91 15.241,92 0.308,93 1.34,94 27.264,95 9.156,96 48.359,97 12.741,98 0.439,99 1.217,100 25.36,101 7.422,102 64.508,103 9.988,104 19,105 48,106 0.248,107 0.627,108 0.818,109 0.878,110 0.878,111 0.878,112 3.502,113 0.927,114 -3.96,115 -3.91,116 -3.71,118 43.1,119 2,120 3,124 1,126 1,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 9,171 2,172 14,175 1,177 2,180 8,186 11,191 2,194 5,197 2,198 8,201 1,203 2,206 10,209 3,210 5,215 1,218 12,221 2,222 3,225 2,227 2,229 6,234 11,237 1,239 2,242 4,247 6,252 1,255 4,258 2,259 6,262 1,264 1,267 9,270 1920,271 21.637,272 21.637,273 21.637,274 21.637,275 21.637,276 19.483,277 28.462,278 13.006,279 22.028,280 17.31,281 17.31,282 17.31,283 17.31,284 17.31,285 13.828,286 32.556,287 6.249,288 17.909,289 4.329,290 1.99,291 0.812,292 0.44,293 0.44,294 0.44,295 4.2,299 1,300 1,301 1008,302 4,306 351.428,310 258.323,313 2.406,314 33.984,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 69,326 467,327 4.553,328 3.807,329 6.789,330 4.204,331 3.236,332 4.14,333 1.257,334 11.129,335 3.134,336 4.186,337 3.548,338 6.13,339 3.805,340 2.812,341 3.623,342 1.058,343 8.959,344 2.793,345 3.897,346 3.018,347 5.88,348 3.519,349 2.566,350 3.444,351 0.86,352 8.062,353 2.498,354 3.863,355 2.908,356 5.36,357 3.508,358 2.521,359 3.188,360 0.78,361 6.965,362 2.425,363 3.57,364 2.718,365 5.34,366 3.237,367 2.3,368 2.814,369 0.219,370 6.925,371 2.14,372 3.469,373 2.612,374 5.281,375 3.066,376 2.086,377 2.674,379 6.342,380 2.03,381 3.016,382 2.081,383 4.411,384 2.794,385 1.832,386 2.122,388 4.513,389 1.753,390 2.961,391 1.908,392 4.257,393 2.72,394 1.746,395 2.028,397 4.029,398 1.699,399 2.916,400 1.801,401 4.141,402 2.475,403 1.509,404 1.936,406 3.425,407 1.454,408 2.733,409 1.566,410 3.736,411 2.271,412 1.274,413 1.729,415 3.314,416 1.264,417 2.573,418 1.518,419 3.546,420 2.232,421 1.249,422 1.538,424 2.818,425 1.224,426 2.5,427 1.305,428 3.496,429 1.956,430 1,431 1.5,433 2.136,434 0.954,435 2.426,436 1.034,437 3.247,438 1.801,439 0.788,440 1.182,442 1.945,443 0.791,444 1.874,445 1,446 3.079,447 1.669,448 0.671,449 0.767,451 1.461,452 0.665,453 1.712,454 0.735,455 2.936,456 1.211,457 0.24,458 0.301,460 0.62,461 0.229,462 15.1,463 0.472,464 0.75,465 0.023,466 41.25,467 1.289,468 20.5,469 0.641,470 20.75,471 0.648,472 27.199,473 0.85,474 34.1,475 0.588,476 32.11,477 1.003,478 7.971,479 0.249,480 7.537,481 0.236,482 0.11,484 0.325,487 0.722,488 1.35,489 0.773,490 1.121,491 0.57,492 0.979,493 0.785,494 1.135,495 0.842,496 1.037,497 0.565,498 0.96,499 1.256,500 1.102,501 0.951,502 0.976,503 0.906,504 0.928,505 1.165,506 0.888,507 0.979,508 0.889,509 1.343,510 0.897,511 0.933,512 1.06,513 1.031,514 1.092,515 1.228,516 1.082,517 0.761,518 1.005,519 0.931,520 1.032,521 0.943,522 1.016,523 1.148,524 1.085,525 1.01,526 1.036,527 1.188,528 1.003,529 1.817,530 0.86,531 1.254,532 0.828,533 1.918,534 0.914,535 6,536 0.161,537 3.111,538 1.875,539 1.973,540 0.986,541 0.706,542 0.436,543 0.374,544 0.221,545 16029,546 40664,547 2.082,548 44.8,549 4,550 10,551 1,552 2,553 1,555 8,558 1.74,559 1.959,560 3.799,561 -0.372,563 1,567 88.7,568 1.529,569 3.868,570 5.046,571 5.418,572 5.418,573 5.418,574 3.296,575 4.14,576 4.964,577 4,578 1983.88,579 8.66,580 30483.8,582 1,585 339.763,586 1.366,587 4.936,588 0.171,589 0.006,590 0.065,591 0.038,592 0.044,593 0.024,594 0.019,595 0.013,596 0.012,597 0.007,598 0.399,599 0.33,600 1,601 0.844,602 171.806,603 -0.022,604 -0.185,605 0.055,606 -0.069,607 -0.035,608 -0.008,609 0.103,610 -0.037,611 0.068,612 -0.035,613 0.081,614 0.001,615 -0.124,616 -0.097,617 0.03,618 0.006,619 -0.005,620 0.035,621 -0.027,622 0.115,623 0.024,624 0.07,625 -0.045,626 0.06,627 0.101,628 -0.067,629 -0.063,630 -0.098,631 -0.029,632 -0.105,633 0.188,634 -0.046,635 0.059,636 -0.047,637 0.168,638 -0.022,639 -0.072,640 -0.095,641 -0.006,642 -0.081,643 -0.043,644 -0.039,645 -0.354,646 0.175,647 -0.211,648 0.08,649 -0.255,650 -0.012,651 1.898,652 6.065,653 0.625,654 43,655 1.002,656 1.124,657 2.729,658 7.45,659 0.668,660 3.584,661 3.892,662 4.143,663 4.407,664 4.682,665 4.779,666 4.949,667 5.094,668 5.236,669 5.242,670 8.394,671 0.638,672 430.55,673 3.584,674 5.118,675 5.958,676 6.83,677 7.693,678 8.575,679 9.451,680 10.34,681 11.226,682 12.121,683 6.9,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,722 1,724 58,726 17,727 1,728 35,730 61,731 25,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 4,753 18,754 7,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 7,774 1,775 7,779 4,781 1,784 0.5,785 3,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 32,846 4,847 1,848 1,850 1,851 1,862 5.2,865 2,867 1,869 16.333,870 11.017,871 7.056,872 3.692,874 3.202,875 1.398,876 0.978,877 6.818,878 11.253,879 3.85,880 4.382,881 4.927,882 5.46,883 6.012,884 6.278,885 6.675,886 7.062,887 7.467,888 7.699,889 0.9,890 50,891 11.882,893 5.054,894 7.771,895 22.599,897 18.362,899 2.271,900 72.667,903 1,904 294.278,905 150.13,906 54.706,908 61.29,911 150.13,912 355.567,913 54.706,914 17.65,915 39.892,916 66.334,917 102.355,918 63.437,919 11.771,920 258.964,922 294.278,923 204.836,924 61.29,927 200.109,928 155.459,931 83.375,932 85.723,933 35.738,935 294.278,936 115.996,937 150.13,940 294.278,941 39.003,942 114.251,943 18.011,944 94.861,945 294.278,946 115.996,947 150.13,949 0.576,950 0.325,951 0.176,952 0.099,953 22,954 10,955 0.131,956 8,957 2,958 1.2,959 4.439,960 281.773,961 0.2,962 20,963 158,968 21.978,969 9.926,970 5.345,972 115.996,973 12.882,974 4.11,978 2.853,980 18.011,981 560.403,982 46,987 25.66,989 4.927,990 4.545,991 0.47,994 58.109,995 65.189,996 0.261,997 0.66,998 0.861,999 0.925,1000 0.925,1001 0.925,1002 5.088,1003 1.746,1004 5.932,1005 4.513,1006 4.575,1007 5.069,1008 2.202,1009 6.723,1010 4.512,1011 6.276,1012 1.509,1013 7.476,1014 4.029,1015 4.111,1016 4.745,1017 0.325,1018 7.579,1019 4.029,1020 7.566,1021 1.274,1022 9.121,1023 3.425,1024 6.142,1025 7.163,1026 2.265,1027 10.696,1028 6.018,1029 8.89,1030 1.249,1031 10.828,1032 3.314,1033 6.494,1034 7.647,1035 0.766,1036 12.4,1037 6.355,1038 10.247,1039 1,1040 12.576,1041 2.818,1042 7.993,1043 9.537,1044 2.418,1045 15.045,1046 7.816,1047 11.628,1048 0.788,1049 14.353,1050 2.136,1051 8.744,1052 10.424,1053 1.259,1054 17.122,1055 8.551,1056 13.028,1057 0.671,1058 16.151,1059 1.945,1060 10.023,1061 12.071,1062 2.637,1063 19.605,1064 9.796,1065 3.236,1066 0.24,1067 17.966,1068 1.461,1069 10.978,1070 13.18,1071 1.765,1072 21.856,1073 10.728,1074 2.812,1075 11.129,1076 19.795,1077 0.62,1078 12.167,1079 14.704,1080 2.909,1081 24.283,1082 11.887,1083 2.566,1084 8.959,1085 21.634,1086 4.14,1087 13.225,1088 15.94,1089 2.27,1090 26.614,1091 12.917,1092 2.521,1093 8.062,1094 23.484,1095 3.623,1096 14.384,1097 17.403,1098 3.223,1099 29.024,1100 14.045,1101 2.3,1102 6.965,1103 25.341,1104 3.444,1105 15.492,1106 18.712,1107 2.771,1108 31.394,1109 15.123,1110 2.086,1111 6.925,1112 27.205,1113 3.188,1114 16.645,1115 20.145,1116 3.57,1117 33.799,1118 16.243,1119 1.832,1120 6.342,1121 29.076,1122 2.814,1123 17.78,1124 21.497,1125 3.266,1126 36.188,1127 17.346,1128 15231,1129 24457,1130 23.463,1131 38.762,1132 53.069,1133 54.157,1134 52.969,1135 51.706,1136 51.658,1137 65.974,1138 8.348,1139 145.283,1140 50.105,1141 5.49,1142 5.807,1143 6.591,1144 5.277,1145 5.236,1146 7.14,1147 2.38,1148 18.667,1149 5.134,1150 15.234,1151 1.516,1152 1.547,1153 1.513,1154 1.477,1155 1.476,1156 1.885,1157 0.239,1158 4.151,1159 1.432,1160 4.042,1161 4.069,1162 4.011,1163 3.931,1164 7.431,1165 3.946,1166 3.901,1167 3.945,1168 3.826,1169 3.804,1170 7.425,1171 3.803,1172 3.794,1173 3.823,1174 3.741,1175 3.688,1176 4.918,1177 3.696,1178 3.639,1179 3.702,1180 3.513,1181 3.474,1182 4.887,1183 3.468,1184 3.569,1185 3.631,1186 3.413,1187 3.414,1188 4.678,1189 3.404,1190 3.346,1191 3.4,1192 3.251,1193 3.14,1194 4.37,1195 3.164,1196 3.196,1197 3.221,1198 3.133,1199 3.013,1200 4.189,1201 3.035,1202 3.09,1203 3.148,1204 2.961,1205 2.938,1206 4.035,1207 2.934,1208 0.13,1209 0.109,1210 0.194,1211 0.12,1212 0.092,1213 4.553,1214 0.118,1215 3.807,1216 0.036,1217 6.789,1218 0.318,1219 4.204,1220 0.09,1221 3.236,1222 4.14,1223 1.257,1224 11.129,1225 3.134,1226 1.963,1227 1.941,1228 2.04,1229 2.091,1230 1.324,1231 2.071,1232 1.88,1233 1.84,1234 2.025,1235 2.006,1236 1.14,1237 2.017,1238 1.758,1239 1.732,1240 1.899,1241 1.904,1242 1.045,1243 1.901,1244 1.621,1245 1.557,1246 1.86,1247 1.819,1248 1.003,1249 1.834,1250 1.575,1251 1.513,1252 1.806,1253 1.745,1254 0.923,1255 1.772,1256 1.275,1257 1.221,1258 1.52,1259 1.523,1260 0.686,1261 1.52,1262 1.117,1263 1.089,1264 1.417,1265 1.334,1266 0.469,1267 1.309,1268 1.068,1269 1.016,1270 1.264,1271 1.264,1272 0.33,1273 1.308,1274 4.263,1276 5.572,1278 7.079,1280 8.686,1282 10.352,1284 3.86,1290 3.313,1291 2.927,1292 5.7,1294 0.003,1295 1.415,1300 37.025,1301 88.7,1302 224.331,1303 292.643,1304 314.253,1305 314.253,1306 314.253,1307 64.075,1308 8.051,1309 85.59,1310 85.59,1311 24,1312 12.649,1313 4.17,1314 3.585,1315 52.252,1316 160,1317 174,1318 0.157,1319 227.97,1320 411.15,1321 548.007,1322 39767,1324 22.501,1325 0.703,1326 0.57,1327 22.501,1328 18.246,1329 15.508,1330 0.443,1331 0.309,1332 10.677,1333 14.94,1334 10.397,1335 8.665,1336 15.508,1337 10.81,1338 13.944,1339 0.29,1340 0.166,1341 13.944,1342 7.983,1343 11.308,1344 0.182,1345 0.082,1346 11.308,1347 5.114,1348 9.426,1349 0.116,1350 0.044,1351 9.426,1352 3.568,1353 7.842,1354 0.073,1355 0.023,1356 7.842,1357 2.439,1358 0.255,1359 96.919,1360 0.206,1361 30.664,1362 0.407,1363 166,1364 492.475,1365 182.601,1366 474.133,1367 649.38,1368 444,1369 193,1370 481.129,1371 209.467,1372 484.649,1373 708.81,1374 457,1375 7.222} {0 CHEMBL57736,1 1.477,2 14,3 3.367,4 11.334,5 121.854,6 7.273,7 0.353,8 4.123,9 4.245,10 3.673,11 3.696,12 5.214,13 3.664,14 4.659,15 4.838,16 4.023,17 4.09,18 5.714,19 4.033,20 4.936,21 5.15,22 4.117,23 4.235,24 5.99,25 4.158,26 5.001,27 5.238,28 4.015,29 4.182,30 6.085,31 4.087,32 4.899,33 5.136,34 3.907,35 4.092,36 5.917,37 3.993,38 4.822,39 5.05,40 3.866,41 3.987,42 6.02,43 3.896,44 4.748,45 4.987,46 3.678,47 3.886,48 5.809,49 3.794,50 4.592,51 4.815,52 3.622,53 3.826,54 5.633,55 3.726,56 0.023,57 0.827,58 11.578,59 5.158,60 7.157,61 6.918,62 0.227,63 1.347,64 21.715,65 8.692,66 21.963,67 12.063,68 0.173,69 1.67,70 30.206,71 11.559,72 37.346,73 16.15,74 0.472,75 1.692,76 34.145,77 11.823,78 68.679,79 16.476,80 0.267,81 1.512,82 30.577,83 11.136,84 49.618,85 15.46,86 0.487,87 1.414,88 28.438,89 9.776,90 85.553,91 13.64,92 0.427,93 1.319,94 26.946,95 8.314,96 61.307,97 11.497,98 0.183,99 1.134,100 21.941,101 8.138,102 34.52,103 11.245,104 18,105 47,106 0.24,107 0.613,108 0.808,109 0.87,110 0.876,111 0.876,112 3.471,113 0.941,114 -4.45,115 -4.38,116 -4.13,118 43.9,119 2,120 3,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 14,171 2,172 10,175 1,177 2,180 14,186 9,191 2,194 11,197 2,198 11,201 1,203 2,206 10,210 8,215 1,218 8,221 2,222 9,225 2,227 2,229 8,234 3,237 1,239 2,242 7,247 6,252 2,255 9,258 1,259 7,264 2,267 7,270 1746,271 20.982,272 20.982,273 20.982,274 20.982,275 20.982,276 18.852,277 26.843,278 12.496,279 21.216,280 16.778,281 16.778,282 16.778,283 16.778,284 16.778,285 13.302,286 27.358,287 5.961,288 17.126,289 4.356,290 2.06,291 0.862,292 0.483,293 0.448,294 0.448,295 4.169,299 1,300 1,301 942,302 3.873,306 336.958,310 247.429,313 2.258,314 30.032,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 66,326 434,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.923,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.631,354 3.896,355 2.908,356 5.763,357 3.512,358 2.521,359 3.242,360 0.219,361 7.575,362 2.498,363 3.608,364 2.718,365 5.34,366 3.293,367 2.32,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.993,382 1.953,383 4.257,384 2.728,385 1.753,386 2.121,388 4.036,389 1.708,390 2.934,391 1.803,392 4.15,393 2.48,394 1.513,395 1.966,397 3.43,398 1.459,399 2.733,400 1.566,401 3.823,402 2.286,403 1.289,404 1.731,406 3.318,407 1.28,408 2.579,409 1.538,410 3.734,411 2.253,412 1.268,413 1.55,415 2.956,416 1.247,417 2.5,418 1.311,419 3.538,420 2.197,421 1.206,422 1.5,424 2.808,425 1.193,426 2.472,427 1.251,428 3.496,429 1.956,430 1,431 1.433,433 2.136,434 0.954,435 2.392,436 1.034,437 3.247,438 1.794,439 0.778,440 1.165,442 1.936,443 0.784,444 1.872,445 1,446 3.049,447 1.668,448 0.67,449 0.766,451 1.458,452 0.665,453 1.68,454 0.63,455 2.902,456 1.107,457 0.113,458 0.153,460 0.294,461 0.111,462 14.767,463 0.476,464 0.733,465 0.024,466 39.75,467 1.282,468 20,469 0.645,470 19.75,471 0.637,472 26.74,473 0.863,474 32.633,475 0.573,476 30.284,477 0.977,478 7.541,479 0.243,480 7.484,481 0.241,482 0.113,484 0.332,487 0.667,488 1.304,489 0.795,490 1.074,491 0.544,492 0.967,493 0.604,494 1.086,495 0.845,496 0.994,497 0.535,498 0.953,499 0.867,500 1.174,501 0.886,502 1.074,503 0.783,504 0.995,505 1.214,506 0.916,507 1.028,508 0.942,509 1.302,510 0.957,511 1.157,512 1.027,513 0.968,514 1.008,515 1.244,516 0.974,517 1.116,518 1.06,519 1.029,520 1.034,521 1.181,522 1.026,523 1.808,524 0.824,525 1.263,526 0.844,527 1.736,528 0.952,529 1.142,530 1.085,531 1.069,532 1.101,533 1.138,534 1.079,535 5.5,536 0.103,537 3.556,538 1.75,539 1.933,540 1.104,541 0.565,542 0.432,543 0.329,544 0.248,545 14692,546 35299,547 2.084,548 45.6,549 11,550 9,551 1,552 2,553 1,555 2,558 1.731,559 1.958,560 3.739,561 -0.393,563 1,567 84.167,568 1.477,569 3.773,570 4.971,571 5.35,572 5.385,573 5.385,574 3.26,575 4.632,576 4.92,577 3.943,578 1833.72,579 8.567,580 27397.2,582 1,585 332.475,586 1.383,587 4.888,588 0.162,589 0.004,590 0.076,591 0.035,592 0.045,593 0.028,594 0.016,595 0.014,596 0.011,597 0.009,598 0.4,599 0.17,600 1,601 0.701,602 164.485,603 -0.013,604 -0.149,605 0.051,606 -0.035,607 -0.024,608 0.006,609 0.164,610 0.013,611 0.062,612 0.008,613 0.076,614 0.017,615 0.006,616 -0.157,617 0.064,618 -0.078,619 0.051,620 -0.011,621 0.001,622 0.072,623 -0.018,624 0.019,625 -0.047,626 0.002,627 -0.063,628 -0.069,629 0.029,630 -0.023,631 -0.074,632 0.01,633 0.186,634 -0.071,635 -0.015,636 -0.076,637 0.187,638 -0.075,639 -0.315,640 0.204,641 -0.222,642 0.072,643 -0.248,644 -0.037,645 -0.097,646 -0.098,647 -0.093,648 -0.114,649 -0.052,650 -0.102,651 1.855,652 6.058,653 0.645,654 39.02,655 0.996,656 1.122,657 3.221,658 10.372,659 0.672,660 3.555,661 3.871,662 4.143,663 4.382,664 4.673,665 4.779,666 4.913,667 5.063,668 5.204,669 5.193,670 8.135,671 0.637,672 414.55,673 3.555,674 5.094,675 5.943,676 6.815,677 7.686,678 8.567,679 9.45,680 10.339,681 11.229,682 12.125,683 7,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 57,726 17,727 1,728 34,730 60,731 25,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 3,753 18,754 7,755 1,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 31,846 4,847 1,850 1,851 1,862 3.5,865 2,869 15.833,870 10.85,871 6.833,872 3.678,874 3.21,875 1.403,876 0.983,877 6.317,878 11.185,879 3.829,880 4.369,881 4.934,882 5.453,883 6.012,884 6.289,885 6.663,886 7.042,887 7.452,888 7.691,889 1,890 50,891 11.517,893 4.916,894 7.731,895 22.064,897 18.156,899 2.231,900 69.167,903 1,904 294.278,905 148.072,906 54.706,908 50.29,911 148.072,912 344.567,913 54.706,914 17.65,915 39.892,916 66.334,917 102.355,918 50.379,919 11.771,920 258.964,922 294.278,923 202.778,924 50.29,927 270.735,928 73.832,931 83.375,932 83.665,933 35.738,935 294.278,936 104.996,937 148.072,940 294.278,941 36.946,942 114.251,943 18.011,944 83.861,945 294.278,946 104.996,947 148.072,949 0.58,950 0.337,951 0.174,952 0.099,953 22,954 10,955 0.117,956 7,957 2,958 1.2,959 4.337,960 271.764,961 0.2,962 20,963 151.58,968 21.053,969 9.302,970 4.77,972 104.996,973 13.412,974 4.113,978 3.52,980 18.011,981 547.345,982 45,987 25.641,989 5.007,990 4.581,991 0.63,994 56.781,995 63.979,996 0.253,997 0.647,998 0.852,999 0.917,1000 0.923,1001 0.923,1002 5.069,1003 1.513,1004 5.922,1005 4.036,1006 4.554,1007 5.056,1008 2.023,1009 6.725,1010 4.516,1011 6.262,1012 1.289,1013 7.478,1014 3.43,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.558,1021 1.268,1022 9.138,1023 3.318,1024 6.138,1025 7.164,1026 2.145,1027 10.729,1028 6.06,1029 8.889,1030 1.206,1031 10.859,1032 2.956,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.442,1038 10.253,1039 1,1040 12.619,1041 2.808,1042 8.012,1043 9.55,1044 2.343,1045 15.089,1046 7.895,1047 11.64,1048 0.778,1049 14.405,1050 2.136,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.659,1056 13.046,1057 0.67,1058 16.211,1059 1.936,1060 10.059,1061 12.091,1062 2.593,1063 19.646,1064 9.898,1065 3.24,1066 0.113,1067 18.031,1068 1.458,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.845,1074 2.839,1075 11.139,1076 19.863,1077 0.294,1078 12.212,1079 14.729,1080 2.884,1081 24.317,1082 12,1083 2.644,1084 9.033,1085 21.704,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.036,1092 2.521,1093 8.244,1094 23.554,1095 3.632,1096 14.431,1097 17.43,1098 3.21,1099 29.052,1100 14.162,1101 2.32,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.242,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.362,1119 1.753,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.465,1128 13912,1129 21746,1130 22.77,1131 38.307,1132 51.942,1133 52.931,1134 51.993,1135 50.496,1136 50.48,1137 64.8,1138 6.628,1139 143.338,1140 49.559,1141 5.494,1142 5.807,1143 6.594,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 14.78,1151 1.528,1152 1.557,1153 1.529,1154 1.485,1155 1.485,1156 1.906,1157 0.195,1158 4.216,1159 1.458,1160 4.052,1161 4.082,1162 4.018,1163 3.959,1164 7.431,1165 3.967,1166 3.902,1167 3.946,1168 3.826,1169 3.805,1170 7.425,1171 3.804,1172 3.813,1173 3.848,1174 3.754,1175 3.715,1176 4.901,1177 3.72,1178 3.64,1179 3.708,1180 3.518,1181 3.48,1182 4.862,1183 3.476,1184 3.516,1185 3.573,1186 3.379,1187 3.392,1188 4.552,1189 3.38,1190 3.317,1191 3.381,1192 3.198,1193 3.115,1194 4.237,1195 3.131,1196 3.182,1197 3.207,1198 3.119,1199 2.994,1200 4.147,1201 3.017,1202 3.077,1203 3.137,1204 2.934,1205 2.928,1206 3.961,1207 2.92,1208 0.134,1209 0.112,1210 0.2,1211 0.124,1212 0.095,1213 4.557,1214 0.122,1215 3.807,1216 0.037,1217 6.792,1218 0.328,1219 4.211,1220 0.093,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.324,1231 2.091,1232 1.88,1233 1.84,1234 2.037,1235 2.007,1236 1.268,1237 2.018,1238 1.79,1239 1.758,1240 1.917,1241 1.922,1242 1.035,1243 1.926,1244 1.626,1245 1.562,1246 1.848,1247 1.816,1248 0.991,1249 1.831,1250 1.524,1251 1.469,1252 1.749,1253 1.683,1254 0.869,1255 1.708,1256 1.264,1257 1.203,1258 1.519,1259 1.508,1260 0.685,1261 1.513,1262 1.1,1263 1.071,1264 1.417,1265 1.321,1266 0.469,1267 1.308,1268 1.061,1269 1.008,1270 1.264,1271 1.257,1272 0.329,1273 1.297,1274 4.234,1276 5.549,1278 7.067,1280 8.684,1282 10.357,1284 4.179,1290 3.363,1291 2.94,1294 0.319,1295 1.462,1300 36.31,1301 84.167,1302 215.042,1303 283.355,1304 304.965,1305 306.965,1306 306.965,1307 60.72,1308 7.975,1309 76.36,1310 76.36,1311 24,1312 12.651,1313 4.17,1314 3.585,1315 49.835,1316 150,1317 164,1318 0.159,1319 223.974,1320 402.36,1321 538.256,1322 36052,1324 21.794,1325 0.703,1326 0.575,1327 21.794,1328 17.837,1329 15.025,1330 0.442,1331 0.314,1332 10.555,1333 14.6,1334 10.253,1335 8.573,1336 15.025,1337 10.659,1338 13.452,1339 0.286,1340 0.172,1341 13.452,1342 8.068,1343 11.378,1344 0.184,1345 0.088,1346 11.378,1347 5.461,1348 9.094,1349 0.115,1350 0.046,1351 9.094,1352 3.62,1353 7.661,1354 0.072,1355 0.024,1356 7.661,1357 2.538,1358 0.258,1359 93.204,1360 0.21,1361 29.82,1362 0.413,1363 162,1364 444.739,1365 174.394,1366 436.448,1367 599.98,1368 408,1369 190,1370 444.766,1371 203.145,1372 453.364,1373 663.38,1374 427,1375 6.699} {0 CHEMBL58332,1 1.417,2 18.308,3 6.36,4 40.448,5 152.468,6 6.647,7 0.286,8 4.439,9 4.563,10 3.895,11 3.976,12 5.444,13 3.928,14 5.021,15 5.207,16 4.203,17 4.381,18 6.016,19 4.288,20 5.338,21 5.593,22 4.214,23 4.515,24 6.208,25 4.378,26 5.338,27 5.596,28 4.188,29 4.484,30 6.233,31 4.347,32 5.303,33 5.559,34 4.15,35 4.486,36 6.146,37 4.344,38 5.318,39 5.578,40 4.133,41 4.467,42 6.193,43 4.321,44 5.27,45 5.537,46 4.093,47 4.384,48 6.15,49 4.25,50 5.167,51 5.416,52 4.106,53 4.313,54 6.088,55 4.205,56 0.062,57 1.1,58 18.39,59 8.058,60 11.527,61 10.936,62 0.389,63 1.81,64 34.175,65 13.609,66 54.154,67 19.145,68 0.476,69 2.253,70 48.148,71 17.934,72 68.357,73 25.778,74 0.613,75 2.212,76 48.604,77 17.424,78 78.398,79 25.199,80 0.407,81 2.177,82 46.385,83 17.309,84 60.4,85 24.941,86 0.402,87 2.194,88 47.196,89 17.206,90 68.462,91 25.036,92 0.443,93 2.074,94 45.461,95 15.573,96 67.313,97 22.961,98 0.376,99 1.891,100 40.912,101 14.044,102 51.452,103 20.428,104 16,105 54,106 0.217,107 0.517,108 0.695,109 0.814,110 0.864,111 0.875,112 3.692,113 1.037,114 -5.27,115 -5.16,116 -4.83,118 40,120 12,121 1,124 2,126 1,133 1,134 1,140 6,141 3,143 2,154 3,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 9,215 3,218 18,219 1,222 11,227 5,229 13,230 1,234 12,239 5,242 9,243 2,247 12,252 4,255 7,256 3,258 2,259 13,260 1,264 4,267 6,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.654,277 15.777,278 16.658,279 27.072,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.512,286 12.218,287 7.996,288 21.222,289 4.905,290 2.94,291 1.779,292 0.998,293 0.669,294 0.6,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 36.322,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 83.5,326 714,327 4.4,328 3.762,329 6.502,330 4.031,331 3.042,332 3.997,333 2.341,334 10.188,335 3.019,336 4.243,337 3.596,338 6.248,339 3.904,340 2.941,341 3.7,342 1.96,343 9.413,344 2.821,345 3.886,346 3.239,347 5.905,348 3.593,349 2.6,350 3.239,351 1.307,352 8.178,353 2.574,354 3.638,355 3.016,356 5.34,357 3.521,358 2.521,359 2.989,360 0.451,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.24,367 2.235,368 2.71,369 0.133,370 6.368,371 2.222,372 3.522,373 2.356,374 4.659,375 3.189,376 2.209,377 2.522,379 5.184,380 2.161,381 3.247,382 2.113,383 4.542,384 2.807,385 1.843,386 2.462,388 4.677,389 1.772,390 2.936,391 1.938,392 4.17,393 2.706,394 1.715,395 2.039,397 3.872,398 1.698,399 2.756,400 1.804,401 3.957,402 2.585,403 1.598,404 1.792,406 3.482,407 1.567,408 2.702,409 1.633,410 3.714,411 2.454,412 1.476,413 1.699,415 3.162,416 1.442,417 2.5,418 1.499,419 3.634,420 2.362,421 1.379,422 1.5,424 3.063,425 1.35,426 2.5,427 1.485,428 3.478,429 2.066,430 1.085,431 1.5,433 2.63,434 1.06,435 2.462,436 1.329,437 3.414,438 2,439 1,440 1.45,442 2.323,443 1,444 2.41,445 1.306,446 3.389,447 2,448 1,449 1.336,451 2.275,452 1,453 2.241,454 1.032,455 3.267,456 1.956,457 1,458 1.13,460 2.136,461 0.953,462 18.533,463 0.475,464 0.661,465 0.017,466 41.75,467 1.071,468 18,469 0.462,470 23.75,471 0.609,472 41.869,473 1.074,474 43.867,475 0.548,476 32.773,477 0.84,478 7.448,479 0.191,480 11.649,481 0.299,482 0.054,484 0.243,487 0.757,488 1.291,489 0.907,490 1.173,491 0.632,492 1.076,493 0.639,494 1.215,495 1.014,496 1.188,497 0.464,498 1.155,499 0.789,500 0.983,501 0.934,502 0.992,503 0.788,504 0.985,505 0.878,506 0.954,507 0.951,508 0.945,509 0.875,510 0.955,511 0.839,512 0.998,513 0.967,514 0.991,515 0.778,516 0.995,517 0.833,518 1.066,519 0.973,520 1.034,521 0.788,522 1.023,523 0.972,524 0.997,525 0.957,526 0.944,527 0.882,528 0.941,529 1.061,530 1.039,531 0.945,532 0.981,533 0.903,534 0.944,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 64917,547 2.082,548 51.3,549 21,550 12,552 2,553 2,554 2,555 2,558 1.79,559 2,560 4.093,561 0.085,567 113.34,568 1.417,569 3.382,570 4.543,571 5.323,572 5.653,573 5.722,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 505.754,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.75,601 1.233,602 225.902,603 -0.028,604 -0.053,605 0.037,606 0.004,607 -0.003,608 0.025,609 0.148,610 -0.081,611 -0.056,612 -0.102,613 0.157,614 -0.107,615 0.021,616 0.018,617 0.031,618 0.015,619 0.016,620 0.021,621 0.044,622 0.035,623 0.03,624 0.045,625 0.005,626 0.037,627 -0.05,628 0.003,629 -0.006,630 0.019,631 -0.049,632 0.014,633 -0.034,634 -0.07,635 -0.008,636 -0.036,637 -0.012,638 -0.022,639 -0.057,640 0.001,641 0.027,642 0.022,643 -0.038,644 0.036,645 -0.047,646 -0.02,647 0.051,648 -0.003,649 -0.035,650 0.035,651 2.427,652 5.627,653 0.59,654 67.057,655 0.993,656 1.128,657 4.042,658 16.337,659 0.641,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.599,672 531.76,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.8,690 1,692 1,693 1,699 8,700 1,704 3,706 12,724 80,726 16,727 1,728 42,730 83,731 32,733 11,734 2,735 4,736 3,739 4,740 4,748 6,749 1,751 13,753 16,754 16,755 1,756 4,761 2,763 1,764 1,765 4,772 41,773 7,774 2,775 7,779 3,784 1,785 4,795 1,801 1,802 3,816 1,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 14,847 1,848 1,850 2,862 5,864 1,865 2,867 1,869 19.5,870 13.767,871 8.861,872 5.453,874 2.435,875 1.303,876 0.938,877 11.589,878 10.461,879 3.97,880 4.419,881 4.875,882 5.345,883 5.807,884 6.032,885 6.451,886 6.76,887 7.073,888 7.354,889 1,890 53,891 14.535,893 6.079,894 7.688,895 28.435,897 23.532,899 2.188,900 85.333,904 459.073,905 144.712,906 51.582,908 103.973,911 144.712,912 563.046,913 51.582,915 55.123,916 66.334,917 143.73,918 58.623,920 435.531,922 459.073,923 196.294,924 103.973,927 435.531,928 127.515,931 90.004,932 80.029,933 26.262,935 459.073,936 155.555,937 144.712,940 459.073,941 60.284,942 84.429,943 18.011,944 137.544,945 459.073,946 155.555,947 144.712,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.169,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 29.019,969 15.575,970 9.319,972 155.555,973 15.492,974 4.261,978 2.882,980 60.694,981 759.34,982 52,987 23.42,989 2.146,990 4.557,991 0.729,994 79.403,995 90.221,996 0.224,997 0.535,998 0.719,999 0.842,1000 0.894,1001 0.905,1002 5.182,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.106,1008 2.991,1009 6.723,1010 4.653,1011 6.314,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.62,1017 2.591,1018 7.466,1019 3.97,1020 7.569,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.091,1026 4.15,1027 10.556,1028 6.112,1029 8.86,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.491,1035 4.414,1036 12.22,1037 6.318,1038 10.189,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.397,1044 5.558,1045 14.785,1046 7.856,1047 11.543,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.222,1053 6.123,1054 16.81,1055 8.49,1056 12.919,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 11.877,1062 7.091,1063 19.199,1064 9.765,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 12.93,1071 7.8,1072 21.375,1073 10.616,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.456,1080 8.693,1081 23.702,1082 11.773,1083 2.6,1084 9.413,1085 21.41,1086 3.997,1087 12.93,1088 15.64,1089 9.471,1090 25.944,1091 12.735,1092 2.521,1093 8.178,1094 23.23,1095 3.7,1096 14.053,1097 17.096,1098 10.333,1099 28.251,1100 13.841,1101 2.235,1102 6.965,1103 25.055,1104 3.239,1105 15.09,1106 18.356,1107 11.144,1108 30.523,1109 14.86,1110 2.209,1111 6.368,1112 26.885,1113 2.989,1114 16.192,1115 19.774,1116 11.994,1117 32.825,1118 15.946,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.08,1125 12.822,1126 35.113,1127 16.995,1128 27880,1129 41995,1130 28.602,1131 51.302,1132 61.475,1133 62.69,1134 61.749,1135 60.656,1136 60.738,1137 74.021,1138 12.386,1139 160.195,1140 59.483,1141 5.4,1142 5.762,1143 6.304,1144 5.089,1145 5.042,1146 6.997,1147 3.925,1148 16.953,1149 5.019,1150 15.78,1151 1.464,1152 1.493,1153 1.47,1154 1.444,1155 1.446,1156 1.762,1157 0.295,1158 3.814,1159 1.416,1160 4.032,1161 4.061,1162 3.979,1163 3.966,1164 7.474,1165 3.964,1166 3.903,1167 3.957,1168 3.806,1169 3.802,1170 7.428,1171 3.784,1172 3.858,1173 3.894,1174 3.76,1175 3.742,1176 6.351,1177 3.749,1178 3.738,1179 3.785,1180 3.658,1181 3.589,1182 4.957,1183 3.592,1184 3.724,1185 3.773,1186 3.598,1187 3.569,1188 4.887,1189 3.574,1190 3.606,1191 3.666,1192 3.457,1193 3.455,1194 4.614,1195 3.446,1196 3.457,1197 3.492,1198 3.352,1199 3.297,1200 4.309,1201 3.302,1202 3.32,1203 3.392,1204 3.188,1205 3.114,1206 4.224,1207 3.113,1208 0.105,1209 0.09,1210 0.155,1211 0.096,1212 0.072,1213 4.4,1214 0.095,1215 3.762,1216 0.056,1217 6.502,1218 0.243,1219 4.031,1220 0.072,1221 3.042,1222 3.997,1223 2.341,1224 10.188,1225 3.019,1226 1.981,1227 1.959,1228 2.132,1229 2.054,1230 1.536,1231 2.08,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.799,1239 1.766,1240 1.955,1241 1.915,1242 1.262,1243 1.922,1244 1.717,1245 1.665,1246 1.928,1247 1.887,1248 1.163,1249 1.902,1250 1.682,1251 1.62,1252 1.901,1253 1.885,1254 1.005,1255 1.894,1256 1.523,1257 1.474,1258 1.721,1259 1.723,1260 0.961,1261 1.731,1262 1.428,1263 1.391,1264 1.643,1265 1.628,1266 0.909,1267 1.627,1268 1.269,1269 1.19,1270 1.58,1271 1.494,1272 0.835,1273 1.526,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.874,1290 13.759,1291 3.039,1292 5.792,1294 0.38,1300 47.933,1301 113.34,1302 270.534,1303 363.441,1304 425.88,1305 452.244,1306 457.754,1307 91.588,1308 8.026,1309 100.88,1310 100.88,1311 23,1312 12.544,1313 4.087,1314 3.459,1315 70.774,1316 243,1317 263,1318 0.137,1319 295.246,1320 532.68,1321 712.159,1322 41503,1324 27.288,1325 0.7,1326 0.585,1327 27.288,1328 22.817,1329 19.097,1330 0.455,1331 0.346,1332 14.384,1333 18.555,1334 14.133,1335 11.734,1336 19.097,1337 14.514,1338 16.221,1339 0.3,1340 0.197,1341 16.221,1342 10.628,1343 12.978,1344 0.194,1345 0.114,1346 12.978,1347 7.625,1348 10.358,1349 0.126,1350 0.066,1351 10.358,1352 5.413,1353 8.01,1354 0.083,1355 0.039,1356 8.01,1357 3.782,1358 0.226,1359 118.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 518.979,1365 207.458,1366 497.778,1367 668.13,1368 466,1369 217,1370 473.025,1371 231.272,1372 477.173,1373 692.24,1374 451,1375 7.086} {0 CHEMBL58518,1 1.651,2 13.345,3 2.921,4 8.531,5 115.286,6 9.403,7 0.375,8 3.976,9 4.084,10 3.748,11 3.593,12 5.121,13 3.569,14 4.49,15 4.641,16 4.149,17 3.987,18 5.63,19 3.936,20 4.766,21 4.962,22 4.226,23 4.109,24 5.885,25 4.035,26 4.774,27 4.988,28 4.121,29 4.003,30 5.95,31 3.926,32 4.646,33 4.852,34 4.175,35 3.895,36 5.807,37 3.823,38 4.577,39 4.794,40 3.92,41 3.826,42 5.802,43 3.718,44 4.492,45 4.725,46 3.814,47 3.733,48 5.52,49 3.612,50 4.372,51 4.592,52 3.781,53 3.622,54 5.483,55 3.523,56 0.036,57 0.689,58 6.203,59 4.026,60 7.283,61 4.874,62 0.225,63 1.131,64 13.759,65 6.961,66 20.154,67 8.632,68 0.237,69 1.399,70 30.99,71 10.291,72 37.93,73 12.574,74 0.514,75 1.375,76 30.034,77 9.783,78 67.382,79 11.617,80 0.392,81 1.182,82 27.631,83 8.698,84 54.037,85 10.456,86 0.464,87 1.11,88 21.968,89 8.48,90 77.426,91 10.639,92 0.28,93 1.024,94 25.175,95 8.126,96 39.76,97 10.032,98 0.243,99 0.898,100 22.609,101 7.053,102 37.357,103 8.401,104 10,105 44,106 0.277,107 0.662,108 0.834,109 0.91,110 0.91,111 0.91,112 3.407,113 0.956,114 -4.41,115 -4.34,116 -4.09,117 1,118 45.8,120 3,124 1,133 2,134 1,135 1,140 5,141 2,142 2,143 2,154 3,168 9,171 2,172 10,175 1,177 2,180 9,186 9,191 2,194 7,197 2,198 8,201 1,203 2,206 6,210 8,215 1,218 8,221 2,222 3,225 2,227 2,229 6,234 3,237 1,239 2,242 6,247 5,252 1,255 5,258 1,259 7,264 2,267 5,270 1458,271 19.775,272 19.775,273 19.775,274 19.775,275 19.775,276 17.568,277 23.636,278 11.853,279 20.173,280 15.81,281 15.81,282 15.81,283 15.81,284 15.81,285 12.3,286 25.092,287 5.687,288 16.481,289 3.934,290 1.642,291 0.617,292 0.167,293 0.167,294 0.167,295 4.107,299 1,300 1,301 849,302 3.464,306 310.907,310 228.59,313 2.126,314 30.004,317 1,318 0.83,319 1,320 0.6,321 0.5,322 1,323 1,324 0.85,325 61.75,326 387,327 4.551,328 3.807,329 6.787,330 4.2,331 3.234,332 4.136,333 1.257,334 11.123,335 3.125,336 4.18,337 3.548,338 6.125,339 3.796,340 2.802,341 3.618,342 1.058,343 8.931,344 2.785,345 3.896,346 2.93,347 5.874,348 3.513,349 2.523,350 3.444,351 0.78,352 8.009,353 2.498,354 3.824,355 2.908,356 5.34,357 3.44,358 2.491,359 3.153,360 0.219,361 6.965,362 2.346,363 3.537,364 2.718,365 5.282,366 3.073,367 2.094,368 2.788,370 6.344,371 2.04,372 3.382,373 2.497,374 4.95,375 2.933,376 2.057,377 2.618,379 5.76,380 1.723,381 2.986,382 1.942,383 4.257,384 2.724,385 1.75,386 2.121,388 4.031,389 1.653,390 2.929,391 1.802,392 4.142,393 2.475,394 1.509,395 1.955,397 3.425,398 1.45,399 2.733,400 1.566,401 3.736,402 2.27,403 1.274,404 1.73,406 3.314,407 1.263,408 2.574,409 1.524,410 3.545,411 2.231,412 1.249,413 1.539,415 2.818,416 1.222,417 2.5,418 1.306,419 3.496,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.427,427 1.034,428 3.247,429 1.799,430 0.788,431 1.182,433 1.944,434 0.788,435 1.873,436 1,437 3.065,438 1.669,439 0.671,440 0.767,442 1.46,443 0.665,444 1.709,445 0.778,446 2.918,447 1.147,448 0.198,449 0.258,451 0.497,452 0.165,453 1.238,454 0.342,455 2.653,456 0.884,457 -0.085,458 -0.098,460 -0.194,461 -0.077,462 14.6,463 0.503,464 0.644,465 0.022,466 38.75,467 1.336,468 20,469 0.69,470 18.75,471 0.647,472 24.002,473 0.828,474 29.2,475 0.608,476 27.285,477 0.941,478 7.386,479 0.255,480 6.728,481 0.232,482 0.137,484 0.301,487 0.659,488 1.256,489 0.488,490 0.843,491 0.521,492 0.836,493 0.627,494 1.097,495 0.583,496 0.86,497 0.553,498 0.921,499 0.927,500 1.158,501 0.868,502 1.009,503 0.816,504 0.966,505 1.326,506 0.873,507 0.73,508 0.82,509 1.43,510 0.903,511 1.169,512 1.025,513 0.69,514 0.978,515 1.348,516 0.962,517 0.863,518 0.926,519 0.587,520 0.856,521 0.989,522 0.991,523 1.021,524 0.935,525 0.861,526 0.934,527 1.019,528 0.991,529 1.249,530 0.98,531 0.946,532 0.933,533 1.231,534 0.945,535 5,536 0.087,537 3.111,538 1.625,539 1.853,540 0.813,541 0.483,542 0.345,543 0.296,544 0.157,545 12542,546 36695,547 2.111,548 39.6,549 4,550 9,551 1,552 2,553 1,555 2,558 1.713,559 2,560 3.674,561 -0.336,563 1,567 79.26,568 1.651,569 3.943,570 4.968,571 5.418,572 5.418,573 5.418,574 3.142,575 4.487,576 4.825,577 3.871,578 1571.78,579 8.37,580 22364.6,582 1,585 268.078,586 1.314,587 4.8,588 0.156,589 0.004,590 0.071,591 0.035,592 0.048,593 0.023,594 0.016,595 0.013,596 0.012,597 0.007,598 0.385,599 0.17,600 1,601 0.506,602 150.636,603 -0.038,604 -0.16,605 0.004,606 -0.03,607 -0.021,608 0.003,609 0.119,610 -0.018,611 0.013,612 -0.015,613 0.051,614 -0.044,615 -0.039,616 -0.165,617 -0.019,618 -0.068,619 0.034,620 -0.002,621 -0.072,622 0.129,623 -0.006,624 0.082,625 -0.089,626 0.038,627 -0.003,628 -0.061,629 0.091,630 -0.047,631 -0.064,632 0.002,633 0.21,634 0.03,635 0.048,636 0.049,637 0.186,638 -0.014,639 -0.058,640 0.019,641 0.011,642 0.033,643 -0.064,644 0.02,645 -0.133,646 -0.019,647 0.006,648 0.045,649 -0.06,650 0.047,651 1.866,652 5.814,653 0.69,654 33.565,655 1.007,656 1.116,657 3.176,658 10.085,659 0.716,660 3.497,661 3.807,662 4.078,663 4.331,664 4.615,665 4.673,666 4.804,667 4.942,668 5.063,669 5.011,670 7.788,671 0.682,672 451.35,673 3.497,674 5.03,675 5.878,676 6.749,677 7.617,678 8.498,679 9.377,680 10.265,681 11.153,682 12.046,683 8.3,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,723 1,724 48,726 17,727 1,728 32,729 1,730 51,731 22,733 11,734 3,735 3,736 7,739 4,740 7,751 3,753 18,754 4,756 5,761 2,763 3,764 1,765 4,769 1,772 19,773 6,774 1,775 7,776 1,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,835 1,840 29,846 4,847 1,851 1,861 1,862 4.2,865 2,869 14.5,870 8.66,871 6.389,872 2.963,874 3.23,875 1.414,876 1.008,877 5.912,878 11.033,879 3.784,880 4.331,881 4.89,882 5.414,883 5.966,884 6.197,885 6.56,886 6.944,887 7.352,888 7.547,889 0.889,890 46,891 10.745,893 4.614,894 7.796,895 20.387,897 16.727,899 2.296,900 66.583,903 1,904 211.88,905 130.291,906 100.66,908 50.29,911 176.245,912 262.17,913 54.706,915 39.892,916 66.334,917 102.355,918 50.249,919 11.771,920 176.567,921 45.954,922 211.88,923 184.997,924 50.29,926 45.954,927 188.338,928 73.832,931 65.725,932 83.534,933 35.738,934 45.954,935 211.88,936 104.996,937 176.245,940 211.88,941 36.815,942 96.6,943 63.965,944 83.861,945 211.88,946 104.996,947 176.245,949 0.577,950 0.336,951 0.179,952 0.103,953 21,954 9,955 0.118,956 6,957 2,958 1.2,959 4.209,960 247.607,961 0.2,962 20,963 140.881,968 19.596,969 8.749,970 4.486,972 104.996,973 12.988,974 4.102,978 3.136,980 18.011,981 493.121,982 43,987 25.3,989 4.938,990 4.501,991 0.549,994 48.36,995 53.575,996 0.296,997 0.706,998 0.89,999 0.97,1000 0.97,1001 0.97,1002 5.017,1003 1.509,1004 5.849,1005 4.031,1006 4.489,1007 5.017,1008 2.023,1009 6.645,1010 4.415,1011 6.212,1012 1.274,1013 7.397,1014 3.425,1015 4.007,1016 4.691,1017 0.325,1018 7.513,1019 3.879,1020 7.507,1021 1.249,1022 9.048,1023 3.314,1024 6.061,1025 7.131,1026 2.145,1027 10.637,1028 5.93,1029 8.837,1030 1,1031 10.761,1032 2.818,1033 6.415,1034 7.616,1035 0.766,1036 12.357,1037 6.251,1038 10.199,1039 0.788,1040 12.515,1041 2.136,1042 7.923,1043 9.514,1044 2.343,1045 15.006,1046 7.741,1047 11.584,1048 0.671,1049 14.298,1050 1.944,1051 8.682,1052 10.401,1053 1.259,1054 17.094,1055 8.475,1056 12.989,1057 0.198,1058 16.102,1059 1.46,1060 9.965,1061 12.052,1062 2.593,1063 19.58,1064 9.733,1065 3.234,1066 -0.085,1067 17.922,1068 0.497,1069 10.928,1070 13.16,1071 1.765,1072 21.836,1073 10.668,1074 2.802,1075 11.123,1076 19.756,1077 -0.194,1078 12.121,1079 14.687,1080 2.884,1081 24.266,1082 11.833,1083 2.523,1084 8.931,1085 21.6,1086 4.136,1087 13.184,1088 15.921,1089 2.27,1090 26.6,1091 12.864,1092 2.491,1093 8.009,1094 23.454,1095 3.618,1096 14.347,1097 17.385,1098 3.21,1099 29.011,1100 13.994,1101 2.094,1102 6.965,1103 25.315,1104 3.444,1105 15.459,1106 18.693,1107 2.771,1108 31.382,1109 15.072,1110 2.057,1111 6.344,1112 27.182,1113 3.153,1114 16.614,1115 20.127,1116 3.563,1117 33.787,1118 16.193,1119 1.75,1120 5.76,1121 29.055,1122 2.788,1123 17.751,1124 21.477,1125 3.266,1126 36.176,1127 17.294,1128 11766,1129 20346,1130 21.671,1131 34.375,1132 48.578,1133 49.788,1134 48.525,1135 47.499,1136 47.279,1137 61.616,1138 6.628,1139 133.51,1140 45.349,1141 5.487,1142 5.807,1143 6.589,1144 5.273,1145 5.234,1146 7.136,1147 2.38,1148 18.66,1149 5.125,1150 12.078,1151 1.518,1152 1.556,1153 1.516,1154 1.484,1155 1.477,1156 1.925,1157 0.207,1158 4.172,1159 1.417,1160 4.035,1161 4.063,1162 6.88,1163 3.945,1164 7.431,1165 3.949,1166 3.901,1167 3.945,1168 3.978,1169 3.805,1170 7.425,1171 3.804,1172 3.781,1173 3.81,1174 3.825,1175 3.699,1176 4.901,1177 3.698,1178 3.619,1179 3.683,1180 3.687,1181 3.472,1182 4.865,1183 3.463,1184 3.357,1185 3.406,1186 3.471,1187 3.175,1188 4.556,1189 3.188,1190 3.201,1191 3.225,1192 3.242,1193 3.038,1194 4.214,1195 3.045,1196 3.094,1197 3.15,1198 3.128,1199 2.948,1200 4.09,1201 2.942,1202 2.906,1203 2.956,1204 2.939,1205 2.808,1206 3.892,1207 2.778,1208 0.142,1209 0.119,1210 0.212,1211 0.131,1212 0.101,1213 4.551,1214 0.129,1215 3.807,1216 0.039,1217 6.787,1218 0.348,1219 4.2,1220 0.098,1221 3.234,1222 4.136,1223 1.257,1224 11.123,1225 3.125,1226 1.962,1227 1.941,1228 2.039,1229 2.081,1230 1.324,1231 2.064,1232 1.88,1233 1.84,1234 2.008,1235 2.005,1236 1.135,1237 2.017,1238 1.753,1239 1.727,1240 1.871,1241 1.879,1242 1.006,1243 1.88,1244 1.616,1245 1.553,1246 1.808,1247 1.775,1248 0.931,1249 1.795,1250 1.279,1251 1.229,1252 1.52,1253 1.523,1254 0.686,1255 1.521,1256 1.125,1257 1.097,1258 1.264,1259 1.331,1260 0.332,1261 1.308,1262 1.069,1263 1.019,1264 1.245,1265 1.262,1266 0.292,1267 1.266,1268 0.874,1269 0.829,1270 1.11,1271 1.056,1272 0.24,1273 1.077,1274 4.174,1276 5.485,1278 7,1280 8.616,1282 10.29,1283 3.381,1290 3.348,1291 2.918,1295 1.423,1300 32.755,1301 79.26,1302 189.249,1303 238.469,1304 260.078,1305 260.078,1306 260.078,1307 53.184,1308 7.803,1309 76.36,1310 76.36,1311 24,1312 12.574,1313 4.17,1314 3.585,1315 45.141,1316 134,1317 144,1318 0.16,1319 207.111,1320 369.74,1321 497.11,1322 29536,1323 2.1,1324 20.217,1325 0.697,1326 0.594,1327 21.217,1328 17.224,1329 14.114,1330 0.441,1331 0.319,1332 9.349,1333 13.116,1334 9.133,1335 7.553,1336 14.692,1337 10.198,1338 12.553,1339 0.285,1340 0.175,1341 13.37,1342 7.714,1343 10.656,1344 0.184,1345 0.09,1346 11.181,1347 5.226,1348 8.674,1349 0.116,1350 0.048,1351 9.113,1352 3.576,1353 7.417,1354 0.074,1355 0.026,1356 8.038,1357 2.573,1358 0.26,1359 96.111,1360 0.215,1361 28.244,1362 0.415,1363 152,1364 453.394,1365 230.265,1366 479.095,1367 642.48,1368 446,1369 178,1370 444.499,1371 219.409,1372 463.749,1373 678.6,1374 437,1375 7} {0 CHEMBL59547,1 1.417,2 18.308,3 6.36,4 40.448,5 152.468,6 6.647,7 0.286,8 4.439,9 4.563,10 3.895,11 3.976,12 5.444,13 3.928,14 5.021,15 5.207,16 4.203,17 4.381,18 6.016,19 4.288,20 5.338,21 5.593,22 4.214,23 4.515,24 6.208,25 4.378,26 5.338,27 5.596,28 4.188,29 4.484,30 6.233,31 4.347,32 5.303,33 5.559,34 4.15,35 4.486,36 6.146,37 4.344,38 5.318,39 5.578,40 4.133,41 4.467,42 6.193,43 4.321,44 5.27,45 5.537,46 4.093,47 4.384,48 6.15,49 4.25,50 5.167,51 5.416,52 4.106,53 4.313,54 6.088,55 4.205,56 0.062,57 1.1,58 18.39,59 8.058,60 11.527,61 10.936,62 0.389,63 1.81,64 34.175,65 13.609,66 54.154,67 19.145,68 0.476,69 2.253,70 48.148,71 17.934,72 68.357,73 25.778,74 0.613,75 2.212,76 48.604,77 17.424,78 78.398,79 25.199,80 0.407,81 2.177,82 46.385,83 17.309,84 60.4,85 24.941,86 0.402,87 2.194,88 47.196,89 17.206,90 68.462,91 25.036,92 0.443,93 2.074,94 45.461,95 15.573,96 67.313,97 22.961,98 0.376,99 1.891,100 40.912,101 14.044,102 51.452,103 20.428,104 16,105 54,106 0.217,107 0.517,108 0.695,109 0.814,110 0.864,111 0.875,112 3.692,113 1.037,114 -5.27,115 -5.16,116 -4.83,118 40,120 12,121 1,124 2,126 1,133 1,134 1,140 6,141 3,143 2,154 3,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 9,215 3,218 18,219 1,222 11,227 5,229 13,230 1,234 12,239 5,242 9,243 2,247 12,252 4,255 7,256 3,258 2,259 13,260 1,264 4,267 6,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.654,277 15.777,278 16.658,279 27.072,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.512,286 12.218,287 7.996,288 21.222,289 4.905,290 2.94,291 1.779,292 0.998,293 0.669,294 0.6,295 4.39,300 1,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 36.322,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 83.5,326 714,327 4.4,328 3.762,329 6.502,330 4.031,331 3.042,332 3.997,333 2.341,334 10.188,335 3.019,336 4.243,337 3.596,338 6.248,339 3.904,340 2.941,341 3.7,342 1.96,343 9.413,344 2.821,345 3.886,346 3.239,347 5.905,348 3.593,349 2.6,350 3.239,351 1.307,352 8.178,353 2.574,354 3.638,355 3.016,356 5.34,357 3.521,358 2.521,359 2.989,360 0.451,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.24,367 2.235,368 2.71,369 0.133,370 6.368,371 2.222,372 3.522,373 2.356,374 4.659,375 3.189,376 2.209,377 2.522,379 5.184,380 2.161,381 3.247,382 2.113,383 4.542,384 2.807,385 1.843,386 2.462,388 4.677,389 1.772,390 2.936,391 1.938,392 4.17,393 2.706,394 1.715,395 2.039,397 3.872,398 1.698,399 2.756,400 1.804,401 3.957,402 2.585,403 1.598,404 1.792,406 3.482,407 1.567,408 2.702,409 1.633,410 3.714,411 2.454,412 1.476,413 1.699,415 3.162,416 1.442,417 2.5,418 1.499,419 3.634,420 2.362,421 1.379,422 1.5,424 3.063,425 1.35,426 2.5,427 1.485,428 3.478,429 2.066,430 1.085,431 1.5,433 2.63,434 1.06,435 2.462,436 1.329,437 3.414,438 2,439 1,440 1.45,442 2.323,443 1,444 2.41,445 1.306,446 3.389,447 2,448 1,449 1.336,451 2.275,452 1,453 2.241,454 1.032,455 3.267,456 1.956,457 1,458 1.13,460 2.136,461 0.953,462 18.533,463 0.475,464 0.661,465 0.017,466 41.75,467 1.071,468 18,469 0.462,470 23.75,471 0.609,472 41.869,473 1.074,474 43.867,475 0.548,476 32.773,477 0.84,478 7.448,479 0.191,480 11.649,481 0.299,482 0.054,484 0.243,487 0.757,488 1.291,489 0.907,490 1.173,491 0.632,492 1.076,493 0.639,494 1.215,495 1.014,496 1.188,497 0.464,498 1.155,499 0.789,500 0.983,501 0.934,502 0.992,503 0.788,504 0.985,505 0.878,506 0.954,507 0.951,508 0.945,509 0.875,510 0.955,511 0.839,512 0.998,513 0.967,514 0.991,515 0.778,516 0.995,517 0.833,518 1.066,519 0.973,520 1.034,521 0.788,522 1.023,523 0.972,524 0.997,525 0.957,526 0.944,527 0.882,528 0.941,529 1.061,530 1.039,531 0.945,532 0.981,533 0.903,534 0.944,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 64917,547 2.082,548 51.3,549 21,550 12,552 2,553 2,554 2,555 2,558 1.79,559 2,560 4.093,561 0.085,567 113.34,568 1.417,569 3.382,570 4.543,571 5.323,572 5.653,573 5.722,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 505.754,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.75,601 1.233,602 225.902,603 -0.028,604 -0.053,605 0.037,606 0.004,607 -0.003,608 0.025,609 0.148,610 -0.081,611 -0.056,612 -0.102,613 0.157,614 -0.107,615 0.021,616 0.018,617 0.031,618 0.015,619 0.016,620 0.021,621 0.044,622 0.035,623 0.03,624 0.045,625 0.005,626 0.037,627 -0.05,628 0.003,629 -0.006,630 0.019,631 -0.049,632 0.014,633 -0.034,634 -0.07,635 -0.008,636 -0.036,637 -0.012,638 -0.022,639 -0.057,640 0.001,641 0.027,642 0.022,643 -0.038,644 0.036,645 -0.047,646 -0.02,647 0.051,648 -0.003,649 -0.035,650 0.035,651 2.427,652 5.627,653 0.59,654 67.057,655 0.993,656 1.128,657 4.042,658 16.337,659 0.641,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.599,672 531.76,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.8,690 1,692 1,693 1,699 8,700 1,704 3,706 12,724 80,726 16,727 1,728 42,730 83,731 32,733 11,734 2,735 4,736 3,739 4,740 4,748 6,749 1,751 13,753 16,754 16,755 1,756 4,761 2,763 1,764 1,765 4,772 41,773 7,774 2,775 7,779 3,784 1,785 4,795 1,801 1,802 3,816 1,818 1,822 1,823 1,830 1,831 1,832 4,840 39,845 1,846 14,847 1,848 1,850 2,862 5,864 1,865 2,867 1,869 19.5,870 13.767,871 8.861,872 5.453,874 2.435,875 1.303,876 0.938,877 11.589,878 10.461,879 3.97,880 4.419,881 4.875,882 5.345,883 5.807,884 6.032,885 6.451,886 6.76,887 7.073,888 7.354,889 1,890 53,891 14.535,893 6.079,894 7.688,895 28.435,897 23.532,899 2.188,900 85.333,904 459.073,905 144.712,906 51.582,908 103.973,911 144.712,912 563.046,913 51.582,915 55.123,916 66.334,917 143.73,918 58.623,920 435.531,922 459.073,923 196.294,924 103.973,927 435.531,928 127.515,931 90.004,932 80.029,933 26.262,935 459.073,936 155.555,937 144.712,940 459.073,941 60.284,942 84.429,943 18.011,944 137.544,945 459.073,946 155.555,947 144.712,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.169,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 29.019,969 15.575,970 9.319,972 155.555,973 15.492,974 4.261,978 2.882,980 60.694,981 759.34,982 52,987 23.42,989 2.146,990 4.557,991 0.729,994 79.403,995 90.221,996 0.224,997 0.535,998 0.719,999 0.842,1000 0.894,1001 0.905,1002 5.182,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.106,1008 2.991,1009 6.723,1010 4.653,1011 6.314,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.62,1017 2.591,1018 7.466,1019 3.97,1020 7.569,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.091,1026 4.15,1027 10.556,1028 6.112,1029 8.86,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.491,1035 4.414,1036 12.22,1037 6.318,1038 10.189,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.397,1044 5.558,1045 14.785,1046 7.856,1047 11.543,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.222,1053 6.123,1054 16.81,1055 8.49,1056 12.919,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 11.877,1062 7.091,1063 19.199,1064 9.765,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 12.93,1071 7.8,1072 21.375,1073 10.616,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.456,1080 8.693,1081 23.702,1082 11.773,1083 2.6,1084 9.413,1085 21.41,1086 3.997,1087 12.93,1088 15.64,1089 9.471,1090 25.944,1091 12.735,1092 2.521,1093 8.178,1094 23.23,1095 3.7,1096 14.053,1097 17.096,1098 10.333,1099 28.251,1100 13.841,1101 2.235,1102 6.965,1103 25.055,1104 3.239,1105 15.09,1106 18.356,1107 11.144,1108 30.523,1109 14.86,1110 2.209,1111 6.368,1112 26.885,1113 2.989,1114 16.192,1115 19.774,1116 11.994,1117 32.825,1118 15.946,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.08,1125 12.822,1126 35.113,1127 16.995,1128 27880,1129 41995,1130 28.602,1131 51.302,1132 61.475,1133 62.69,1134 61.749,1135 60.656,1136 60.738,1137 74.021,1138 12.386,1139 160.195,1140 59.483,1141 5.4,1142 5.762,1143 6.304,1144 5.089,1145 5.042,1146 6.997,1147 3.925,1148 16.953,1149 5.019,1150 15.78,1151 1.464,1152 1.493,1153 1.47,1154 1.444,1155 1.446,1156 1.762,1157 0.295,1158 3.814,1159 1.416,1160 4.032,1161 4.061,1162 3.979,1163 3.966,1164 7.474,1165 3.964,1166 3.903,1167 3.957,1168 3.806,1169 3.802,1170 7.428,1171 3.784,1172 3.858,1173 3.894,1174 3.76,1175 3.742,1176 6.351,1177 3.749,1178 3.738,1179 3.785,1180 3.658,1181 3.589,1182 4.957,1183 3.592,1184 3.724,1185 3.773,1186 3.598,1187 3.569,1188 4.887,1189 3.574,1190 3.606,1191 3.666,1192 3.457,1193 3.455,1194 4.614,1195 3.446,1196 3.457,1197 3.492,1198 3.352,1199 3.297,1200 4.309,1201 3.302,1202 3.32,1203 3.392,1204 3.188,1205 3.114,1206 4.224,1207 3.113,1208 0.105,1209 0.09,1210 0.155,1211 0.096,1212 0.072,1213 4.4,1214 0.095,1215 3.762,1216 0.056,1217 6.502,1218 0.243,1219 4.031,1220 0.072,1221 3.042,1222 3.997,1223 2.341,1224 10.188,1225 3.019,1226 1.981,1227 1.959,1228 2.132,1229 2.054,1230 1.536,1231 2.08,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.799,1239 1.766,1240 1.955,1241 1.915,1242 1.262,1243 1.922,1244 1.717,1245 1.665,1246 1.928,1247 1.887,1248 1.163,1249 1.902,1250 1.682,1251 1.62,1252 1.901,1253 1.885,1254 1.005,1255 1.894,1256 1.523,1257 1.474,1258 1.721,1259 1.723,1260 0.961,1261 1.731,1262 1.428,1263 1.391,1264 1.643,1265 1.628,1266 0.909,1267 1.627,1268 1.269,1269 1.19,1270 1.58,1271 1.494,1272 0.835,1273 1.526,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.874,1290 13.759,1291 3.039,1292 5.792,1294 0.38,1300 47.933,1301 113.34,1302 270.534,1303 363.441,1304 425.88,1305 452.244,1306 457.754,1307 91.588,1308 8.026,1309 100.88,1310 100.88,1311 23,1312 12.544,1313 4.087,1314 3.459,1315 70.774,1316 243,1317 263,1318 0.137,1319 295.246,1320 532.68,1321 712.159,1322 41503,1324 27.288,1325 0.7,1326 0.585,1327 27.288,1328 22.817,1329 19.097,1330 0.455,1331 0.346,1332 14.384,1333 18.555,1334 14.133,1335 11.734,1336 19.097,1337 14.514,1338 16.221,1339 0.3,1340 0.197,1341 16.221,1342 10.628,1343 12.978,1344 0.194,1345 0.114,1346 12.978,1347 7.625,1348 10.358,1349 0.126,1350 0.066,1351 10.358,1352 5.413,1353 8.01,1354 0.083,1355 0.039,1356 8.01,1357 3.782,1358 0.226,1359 118.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 518.979,1365 207.458,1366 497.778,1367 668.13,1368 466,1369 217,1370 473.025,1371 231.272,1372 477.173,1373 692.24,1374 451,1375 5} {0 CHEMBL6,1 1.633,2 9.12,3 4.211,4 17.728,5 94.3,6 8.727,7 0.593,8 3.823,9 3.905,10 3.511,11 3.41,12 5.057,13 3.404,14 4.317,15 4.442,16 3.911,17 3.79,18 5.608,19 3.771,20 4.516,21 4.643,22 3.997,23 3.94,24 5.758,25 3.911,26 4.631,27 4.78,28 3.98,29 3.978,30 5.859,31 3.935,32 4.704,33 4.88,34 3.991,35 3.958,36 5.976,37 3.918,38 4.707,39 4.873,40 3.925,41 3.911,42 6.005,43 3.859,44 4.607,45 4.797,46 3.783,47 3.78,48 6.021,49 3.691,50 4.446,51 4.676,52 3.596,53 3.577,54 5.619,55 3.454,56 0.097,57 0.516,58 6.165,59 3.714,60 11.249,61 4.102,62 0.349,63 0.832,64 13.068,65 6.173,66 43.07,67 7.179,68 0.392,69 1.004,70 18.029,71 7.415,72 46.358,73 8.04,74 0.366,75 1.139,76 19.857,77 8.443,78 39.223,79 9.711,80 0.548,81 1.182,82 22.251,83 9.368,84 62.855,85 11.176,86 0.667,87 1.133,88 23.836,89 9.359,90 95.541,91 10.334,92 0.839,93 1.026,94 22.337,95 8.752,96 107.566,97 10.777,98 0.366,99 0.848,100 21.896,101 8.151,102 44.995,103 10.297,104 42,105 39,106 0.285,107 0.657,108 0.786,109 0.852,110 0.852,111 0.852,112 3.268,113 0.889,114 -4.55,115 -4.47,116 -4.21,118 46.3,119 1,120 1,123 1,140 7,141 3,142 2,150 2,154 2,163 1,167 1,168 8,169 1,171 1,172 9,175 1,177 1,180 11,181 1,186 10,191 1,194 10,195 1,198 10,199 1,203 1,206 9,207 2,209 2,210 6,213 1,215 2,218 13,219 1,222 4,223 2,227 1,229 14,230 2,233 3,234 3,237 2,239 2,242 6,243 2,247 4,252 2,255 4,256 2,259 4,264 2,267 3,270 898,271 16.508,272 16.508,273 16.508,274 16.508,275 16.508,276 14.293,277 16.444,278 9.49,279 16.907,280 13.217,281 13.217,282 13.217,283 13.217,284 13.217,285 9.758,286 16.945,287 4.413,288 13.811,289 3.725,290 1.593,291 0.858,292 0.476,293 0.476,294 0.476,295 3.942,297 1,299 1,300 1,301 476,302 3.464,305 53.099,306 139.867,309 99.336,313 1.344,314 33.988,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 54.833,326 228,327 4.804,328 3.777,329 7.137,330 4.363,331 3.393,332 4.762,333 2.397,334 12.41,335 3.289,336 4.186,337 3.626,338 6.275,339 3.8,340 2.803,341 3.779,342 0.98,343 9.265,344 2.794,345 3.847,346 3.194,347 5.67,348 3.431,349 2.474,350 3.348,351 0.86,352 7.367,353 2.374,354 3.731,355 2.906,356 5.555,357 3.313,358 2.369,359 3.109,360 0.242,361 7.07,362 2.218,363 3.516,364 2.773,365 5.171,366 3.091,367 2.144,368 2.799,370 6.111,371 1.97,372 3.299,373 2.191,374 4.987,375 2.862,376 1.887,377 2.53,379 5.715,380 1.825,381 3.213,382 2.053,383 4.591,384 2.762,385 1.807,386 2.476,388 4.814,389 1.681,390 2.682,391 1.923,392 4.13,393 2.17,394 1.169,395 1.683,397 3.104,398 1.143,399 2.5,400 1.161,401 3.604,402 2,403 1,404 1.5,406 2.275,407 1,408 2.253,409 1.118,410 3.414,411 1.779,412 0.778,413 1.08,415 1.97,416 0.765,417 1.675,418 1,419 3.055,420 1.399,421 0.515,422 0.575,424 0.875,425 0.449,426 1.278,427 0.751,428 2.782,429 0.986,430 0.026,431 0.031,433 0.056,434 0.024,435 1.114,436 0.49,437 2.551,438 0.604,439 -0.272,440 -0.353,442 -0.582,443 -0.193,444 0.841,445 0.414,446 2.212,447 0.433,448 -0.576,449 -0.736,451 -1.453,452 -0.566,453 0.675,454 -0.111,455 2.185,456 0.237,457 -0.73,458 -0.923,460 -1.862,461 -0.685,462 11.948,463 0.478,464 0.754,465 0.03,466 33.25,467 1.33,468 17.5,469 0.7,470 15.75,471 0.63,472 19.773,473 0.791,474 26.452,475 0.645,476 26.306,477 1.052,478 6.899,479 0.276,480 5.019,481 0.201,482 0.227,484 0.41,487 0.729,488 1.165,489 0.591,490 0.927,491 0.658,492 0.848,493 0.677,494 1.015,495 0.606,496 0.784,497 0.477,498 0.762,499 1.099,500 1.051,501 1.02,502 0.941,503 0.983,504 0.945,505 0.92,506 1.209,507 0.945,508 1.145,509 0.902,510 1.12,511 0.867,512 0.989,513 0.651,514 0.941,515 1.133,516 0.942,517 1.183,518 1.041,519 0.871,520 1.052,521 1.372,522 1.095,523 0.631,524 0.958,525 0.779,526 0.963,527 0.584,528 1.061,529 0.83,530 1.064,531 0.857,532 1.027,533 0.804,534 1.025,535 5.5,536 0.107,537 3.111,538 2.674,539 2.046,540 1.431,541 0.736,542 0.478,543 0.269,544 0.096,545 5956,546 21559,547 1.992,548 39,550 10,553 1,554 5,558 1.688,559 1.807,560 3.137,561 -0.317,563 1,567 66.949,568 1.633,569 3.765,570 4.5,571 4.882,572 4.882,573 4.882,574 2.649,575 4.324,576 4.609,577 3.266,578 979.934,579 8.02,580 11420.4,582 1,584 1,585 219.66,586 1.554,587 4.541,588 0.204,589 0.015,590 0.08,591 0.064,592 0.05,593 0.035,594 0.021,595 0.016,596 0.013,597 0.007,598 0.505,599 0.17,600 1,601 1.157,602 117.786,603 -0.063,604 -0.091,605 0.008,606 -0.008,607 -0.087,608 0.015,609 0.101,610 0.043,611 0.119,612 0.148,613 0.142,614 0.145,615 -0.212,616 0.012,617 -0.17,618 -0.006,619 -0.134,620 -0.054,621 -0.12,622 -0.155,623 -0.171,624 -0.221,625 -0.061,626 -0.202,627 0.039,628 0.013,629 0.063,630 -0.011,631 -0.056,632 0.018,633 -0.113,634 -0.076,635 -0.082,636 -0.109,637 -0.167,638 -0.147,639 0.345,641 0.058,642 -0.003,643 0.332,644 -0.065,645 0.024,646 -0.165,647 0.205,648 -0.009,649 0.058,650 0.059,651 2.621,652 5.987,653 0.6,654 20.784,655 1.02,656 1.112,657 3.318,658 11.006,659 0.702,660 3.332,661 3.689,662 3.989,663 4.304,664 4.585,665 4.7,666 4.844,667 4.905,668 4.812,669 4.771,670 5.369,671 0.681,672 357.81,673 3.332,674 4.89,675 5.759,676 6.666,677 7.566,678 8.484,679 9.398,680 10.322,681 11.244,682 12.172,683 2.4,691 1,698 2,699 7,704 5,705 1,706 16,722 1,723 1,724 41,726 18,727 2,728 27,730 43,731 19,733 14,734 5,735 7,736 1,739 3,740 4,741 1,745 1,751 1,753 16,754 3,756 2,761 2,765 2,769 1,772 16,773 4,774 1,775 6,776 1,779 1,784 0.667,785 4,797 1,801 1,802 2,805 1,818 1,830 1,832 2,836 2,837 1,840 25,845 1,846 1,848 1,861 1,862 9.8,864 1,865 2,867 1,869 13.833,870 8.126,871 5.528,872 2.277,874 3.089,875 1.433,876 0.959,877 4.839,878 10.223,879 3.638,880 4.301,881 4.943,882 5.61,883 6.204,884 6.58,885 7.016,886 7.379,887 7.531,888 7.808,889 1,890 42,891 9.247,893 3.989,894 8.064,895 17.051,897 13.813,899 2.564,900 64.111,903 1,904 176.567,905 116.78,906 1.899,907 39.149,908 103.973,911 116.78,912 319.688,913 1.899,914 19.708,915 2.535,916 66.334,917 98.588,918 30.587,919 4.901,920 176.567,921 39.149,922 176.567,923 118.679,924 103.973,925 39.149,927 176.567,928 103.973,931 13.259,932 105.42,933 39.149,935 176.567,936 105.872,937 155.929,940 176.567,941 30.738,942 87.941,944 143.122,945 176.567,946 105.872,947 155.929,949 0.587,950 0.345,951 0.191,952 0.119,953 19,954 10,955 0.093,956 4,957 1,958 1.133,959 3.481,960 214.034,961 0.133,962 15,963 112.096,968 17.522,969 6.904,970 3.277,971 1.344,972 103.973,973 11.866,978 2.827,979 1.538,980 42.683,981 438.367,982 37,987 24.253,991 -1.19,994 41.804,995 45.602,996 0.305,997 0.703,998 0.84,999 0.911,1000 0.911,1001 0.911,1002 4.883,1003 1.169,1004 5.778,1005 4.814,1006 4.369,1007 4.987,1008 2.631,1009 6.65,1010 4.296,1011 6.133,1012 1,1013 7.38,1014 3.104,1015 4.111,1016 4.987,1017 2.243,1018 7.692,1019 3.982,1020 7.474,1021 0.778,1022 9.082,1023 2.275,1024 6.019,1025 7.293,1026 3.809,1027 10.845,1028 5.89,1029 8.853,1030 0.515,1031 10.844,1032 1.97,1033 6.553,1034 8.106,1035 4.213,1036 12.745,1037 6.379,1038 10.264,1039 0.026,1040 12.646,1041 0.875,1042 7.987,1043 9.936,1044 5.364,1045 15.463,1046 7.809,1047 11.7,1048 -0.272,1049 14.476,1050 0.056,1051 8.887,1052 11.141,1053 6.05,1054 17.732,1055 8.673,1056 13.157,1057 -0.576,1058 16.329,1059 -0.582,1060 10.156,1061 12.792,1062 7.044,1063 20.309,1064 9.928,1065 3.393,1066 -0.73,1067 18.2,1068 -1.453,1069 11.228,1070 14.188,1071 7.838,1072 22.729,1073 10.966,1074 2.803,1075 12.41,1076 20.087,1077 -1.862,1078 12.445,1079 15.772,1080 8.766,1081 25.261,1082 12.161,1083 2.474,1084 9.265,1085 21.987,1086 4.762,1087 13.595,1088 17.257,1089 9.604,1090 27.74,1091 13.278,1092 2.369,1093 7.367,1094 23.896,1095 3.779,1096 14.801,1097 18.82,1098 10.503,1099 30.26,1100 14.456,1101 2.144,1102 7.07,1103 25.815,1104 3.348,1105 15.986,1106 20.345,1107 11.361,1108 32.761,1109 15.607,1110 1.887,1111 6.111,1112 27.741,1113 3.109,1114 17.193,1115 21.901,1116 12.247,1117 35.278,1118 16.784,1119 1.807,1120 5.715,1121 29.674,1122 2.799,1123 18.394,1124 23.444,1125 13.113,1126 37.789,1127 17.952,1128 6000,1129 11497,1130 17.224,1131 28.773,1132 41.267,1133 42.969,1134 43.621,1135 40.895,1136 40.732,1137 55.339,1138 8.959,1139 122.066,1140 39.062,1141 5.581,1142 5.777,1143 6.683,1144 5.379,1145 5.393,1146 7.762,1147 4.03,1148 20.083,1149 5.289,1150 15.279,1151 1.528,1152 1.591,1153 1.616,1154 1.515,1155 1.509,1156 2.05,1157 0.332,1158 4.521,1159 1.447,1160 4.171,1161 4.196,1162 4.151,1163 4.082,1164 7.474,1165 4.094,1166 3.888,1167 3.906,1168 3.975,1169 3.841,1170 7.428,1171 3.833,1172 3.589,1173 3.612,1174 3.536,1175 3.446,1176 6.351,1177 3.454,1178 3.452,1179 3.469,1180 3.469,1181 3.209,1182 4.956,1183 3.246,1184 3.19,1185 3.27,1186 3.279,1187 2.979,1188 4.911,1189 2.991,1190 3.156,1191 3.178,1192 2.979,1193 2.931,1194 4.564,1195 2.931,1196 2.915,1197 2.971,1198 2.899,1199 2.759,1200 4.271,1201 2.752,1202 2.854,1203 2.925,1204 2.724,1205 2.735,1206 4.072,1207 2.715,1208 0.178,1209 0.14,1210 0.264,1211 0.162,1212 0.126,1213 4.804,1214 0.176,1215 3.777,1216 0.089,1217 7.137,1218 0.46,1219 4.363,1220 0.122,1221 3.393,1222 4.762,1223 2.397,1224 12.41,1225 3.289,1226 1.951,1227 1.934,1228 2.023,1229 2.052,1230 1.199,1231 2.042,1232 1.89,1233 1.872,1234 1.976,1235 1.967,1236 1.101,1237 1.973,1238 1.678,1239 1.642,1240 1.825,1241 1.832,1242 0.985,1243 1.832,1244 1.333,1245 1.303,1246 1.588,1247 1.611,1248 0.669,1249 1.59,1250 1.185,1251 1.124,1252 1.53,1253 1.492,1254 0.572,1255 1.501,1256 1.066,1257 1.027,1258 1.238,1259 1.302,1260 0.321,1261 1.298,1262 0.898,1263 0.849,1264 1.181,1265 1.115,1266 0.218,1267 1.117,1268 0.886,1269 0.821,1270 1.129,1271 1.062,1272 0.206,1273 1.107,1274 4.007,1276 5.352,1277 2.398,1278 6.893,1279 4.949,1280 8.526,1281 7.222,1282 10.213,1284 3.291,1285 5.886,1289 9.233,1290 -0.17,1292 5.233,1300 27.923,1301 66.949,1302 154.357,1303 184.498,1304 200.15,1305 200.15,1306 200.15,1307 54.68,1308 7.134,1309 68.53,1310 68.53,1311 17,1312 12.677,1313 4.248,1314 3.459,1315 41.385,1316 78,1317 92,1318 0.266,1319 175.61,1320 305.09,1321 420.249,1322 10064,1323 2.4,1324 18.137,1325 0.725,1326 0.58,1327 18.637,1328 14.502,1329 11.918,1330 0.441,1331 0.296,1332 7.543,1333 11.149,1334 7.266,1335 6.019,1336 12.207,1337 7.999,1338 11.024,1339 0.283,1340 0.156,1341 11.432,1342 6.101,1343 9.123,1344 0.172,1345 0.083,1346 9.411,1347 4.416,1348 7.654,1349 0.105,1350 0.042,1351 7.821,1352 3.073,1353 6.52,1354 0.067,1355 0.023,1356 6.734,1357 2.195,1358 0.399,1359 78.03,1360 0.241,1361 23.651,1362 0.788,1363 132,1364 445.205,1365 160.121,1366 453.521,1367 596.99,1368 420,1369 158,1370 404.937,1371 179.063,1372 419.632,1373 613.77,1374 393,1375 4} {0 CHEMBL603,1 1.611,2 16.122,3 6.299,4 39.677,5 156.298,6 7.78,7 0.489,8 4.4,9 4.499,10 4.106,11 3.969,12 5.477,13 3.935,14 4.962,15 5.111,16 4.432,17 4.373,18 6.199,19 4.322,20 5.196,21 5.369,22 4.514,23 4.517,24 6.285,25 4.438,26 5.291,27 5.48,28 4.514,29 4.498,30 6.568,31 4.427,32 5.267,33 5.457,34 4.424,35 4.439,36 6.502,37 4.375,38 5.217,39 5.425,40 4.39,41 4.413,42 6.356,43 4.352,44 5.158,45 5.334,46 4.393,47 4.429,48 6.362,49 4.365,50 5.206,51 5.405,52 4.29,53 4.454,54 6.245,55 4.347,56 0.116,57 1.056,58 17.408,59 7.404,60 20.818,61 8.776,62 0.695,63 1.705,64 30.93,65 12.573,66 81.295,67 15.535,68 0.459,69 2.085,70 41.696,71 16.459,72 69.389,73 19.954,74 0.817,75 2.225,76 50.057,77 17.319,78 139.748,79 20.863,80 0.925,81 2.127,82 47.386,83 16.042,84 133.944,85 19.349,86 0.739,87 2.022,88 44.458,89 15.367,90 103.129,91 19.379,92 0.831,93 1.945,94 38.154,95 14.474,96 103.668,97 18.024,98 0.552,99 2.048,100 44.812,101 16.924,102 71.797,103 21.126,104 51,105 65,106 0.246,107 0.581,108 0.777,109 0.862,110 0.871,111 0.871,112 3.741,113 0.999,114 -4.12,115 -4.06,116 -3.85,118 41.9,119 1,120 5,123 2,126 1,140 10,141 5,142 3,149 1,150 1,154 1,155 1,168 17,171 2,172 8,175 5,177 3,180 18,186 14,191 6,194 14,197 2,198 18,203 7,206 8,209 1,210 17,213 2,215 5,218 8,221 1,222 11,227 2,229 16,233 4,234 8,239 2,242 21,247 8,250 1,252 3,255 16,258 1,259 10,262 1,264 2,267 11,270 3666,271 27.289,272 27.289,273 27.289,274 27.289,275 27.289,276 24.077,277 30.036,278 15.804,279 27.863,280 22.152,281 22.152,282 22.152,283 22.152,284 22.152,285 17.078,286 35.993,287 7.43,288 22.986,289 4.599,290 2.412,291 1.128,292 0.571,293 0.517,294 0.517,295 4.438,300 1,301 1430,302 4.743,305 239.142,306 432.001,309 194.958,313 2.625,314 54.864,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.83,323 1,324 0.73,325 89.5,326 661,327 4.889,328 4.711,329 7.401,330 4.362,331 3.438,332 4.743,333 2.186,334 12.881,335 3.16,336 4.651,337 3.678,338 6.739,339 4.184,340 3.208,341 4.619,342 0.98,343 11.008,344 3.131,345 4.315,346 3.54,347 6.248,348 3.92,349 2.938,350 3.967,351 0.86,352 9.397,353 2.88,354 3.917,355 3.322,356 5.925,357 3.615,358 2.675,359 3.409,360 0.68,361 8.216,362 2.548,363 3.885,364 3.069,365 5.578,366 3.556,367 2.564,368 3.265,369 0.366,370 7.654,371 2.488,372 3.778,373 2.694,374 5.54,375 3.382,376 2.417,377 3.186,379 6.984,380 2.332,381 3.612,382 2.499,383 5.447,384 3.314,385 2.316,386 2.806,388 6.972,389 2.301,390 3.44,391 2.453,392 5.324,393 3.028,394 2.065,395 2.785,397 6.559,398 1.986,399 3.271,400 2.355,401 4.791,402 2.937,403 1.957,404 2.338,406 5.256,407 1.892,408 2.942,409 1.944,410 4.567,411 2.532,412 1.577,413 2.092,415 4.53,416 1.498,417 2.879,418 1.846,419 4.379,420 2.432,421 1.47,422 2.024,424 4.052,425 1.414,426 2.864,427 1.604,428 4.275,429 2.414,430 1.414,431 2.012,433 3.604,434 1.406,435 2.798,436 1.508,437 3.923,438 2.331,439 1.33,440 1.847,442 3.108,443 1.32,444 2.649,445 1.428,446 3.673,447 2.121,448 1.132,449 1.676,451 2.781,452 1.117,453 2.399,454 1.349,455 3.596,456 2.105,457 1.115,458 1.354,460 2.514,461 1.094,462 19.533,463 0.476,464 1.204,465 0.029,466 53,467 1.293,468 27,469 0.659,470 26,471 0.634,472 39.131,473 0.954,474 44.667,475 0.604,476 48.704,477 1.188,478 10.2,479 0.249,480 9.44,481 0.23,482 0.145,483 0.043,484 0.328,487 0.638,488 1.3,489 0.803,490 1.202,491 0.604,492 0.97,493 0.658,494 0.966,495 0.824,496 0.907,497 0.487,498 0.891,499 0.986,500 1.183,501 0.976,502 1.121,503 0.856,504 1.064,505 1.141,506 1.133,507 1.125,508 1.116,509 0.984,510 1.004,511 1.371,512 1.009,513 1.105,514 0.982,515 1.535,516 0.983,517 1.173,518 0.891,519 0.865,520 0.838,521 1.215,522 0.844,523 1.079,524 0.96,525 0.928,526 0.912,527 1.175,528 1.005,529 0.915,530 1.124,531 1.143,532 1.182,533 0.719,534 1.133,535 10,536 0.293,537 5.333,538 4.111,539 2.302,540 1.886,541 1.069,542 0.826,543 0.56,544 0.509,545 30129,546 81443,547 2.055,548 44.6,549 9,550 17,551 1,553 2,555 4,558 1.805,559 1.9,560 3.936,561 0.137,567 119.19,568 1.611,569 3.798,570 5.081,571 5.638,572 5.692,573 5.692,574 3.389,575 5.162,576 5.326,577 4.152,578 3404.45,579 9.403,580 61571.5,585 459.5,586 1.597,587 5.272,588 0.222,589 0.006,590 0.082,591 0.062,592 0.035,593 0.031,594 0.018,595 0.014,596 0.01,597 0.01,598 0.49,599 0.33,600 0.75,601 0.697,602 235.54,603 0.033,604 -0.119,605 0.169,606 -0.066,607 -0.09,608 0.02,609 0.246,610 0.126,611 0.092,612 0.104,613 0.227,614 0.075,615 -0.074,616 -0.151,617 0.003,618 -0.084,619 -0.046,620 -0.075,621 -0.024,622 -0.105,623 -0.043,624 -0.081,625 0.131,626 -0.035,627 -0.125,628 0.003,629 -0.104,630 -0.021,631 -0.132,632 -0.043,633 -0.1,634 0.099,635 0.062,636 0.094,637 -0.091,638 0.119,639 0.002,640 0.06,641 -0.071,642 0.011,643 -0.082,644 -0.059,645 -0.06,646 -0.126,647 -0.149,648 -0.15,649 -0.025,650 -0.126,651 4.957,652 5.901,653 0.634,654 57.49,655 1.008,656 1.12,657 2.888,658 8.342,659 0.673,660 3.829,661 4.19,662 4.454,663 4.727,664 4.875,665 4.97,666 5.13,667 5.263,668 5.357,669 5.493,670 9.35,671 0.641,672 575.74,673 3.829,674 5.398,675 6.256,676 7.152,677 8.025,678 8.924,679 9.803,680 10.704,681 11.587,682 12.489,683 4.1,690 2,691 1,698 2,699 11,704 7,705 1,706 22,720 1,722 1,724 74,726 26,727 3,728 45,730 78,731 31,733 20,734 8,735 10,736 1,739 5,740 6,745 1,748 5,751 6,753 22,754 9,756 4,760 1,761 4,765 2,772 33,773 8,774 2,775 10,776 1,779 3,784 0.8,785 6,797 1,801 2,802 3,805 1,832 4,834 1,836 3,840 41,844 1,846 5,847 2,848 2,850 1,862 8.1,865 4,867 2,869 21.583,870 14.117,871 8.875,872 4.4,874 4.115,875 1.476,876 0.995,877 8.619,878 12.769,879 4.111,880 4.756,881 5.305,882 5.9,883 6.379,884 6.677,885 7.102,886 7.479,887 7.744,888 8.109,889 0.909,890 66,891 15.597,893 7.083,894 7.892,895 28.966,897 24.283,899 2.392,900 98.083,904 364.904,905 188.872,906 36.315,908 116.603,910 5.807,911 183.065,912 481.507,913 36.315,914 28.105,915 47.088,916 109.617,917 99.307,918 48.765,919 20.678,920 353.133,922 364.904,923 219.379,924 116.603,925 5.807,927 317.82,928 163.687,931 57.813,932 161.567,933 5.807,935 364.904,936 152.917,937 188.872,939 5.807,940 364.904,941 51.15,942 133.814,943 34.416,944 116.603,945 364.904,946 152.917,947 188.872,949 0.591,950 0.347,951 0.189,952 0.093,953 31,954 15,955 0.115,956 9,957 1,958 1.077,959 4.99,960 412.951,961 0.077,962 26,963 211.66,967 1,968 29.027,969 12.174,970 6.548,971 1.949,972 151.018,973 19.08,978 3.658,979 2.01,980 34.416,981 706.694,982 60,986 -4.04,987 50.93,991 -1.197,994 74.6,995 82.899,996 0.259,997 0.612,998 0.818,999 0.908,1000 0.917,1001 0.917,1002 5.373,1003 2.065,1004 6.279,1005 6.972,1006 4.875,1007 5.445,1008 2.629,1009 7.136,1010 4.805,1011 6.616,1012 1.957,1013 7.874,1014 6.559,1015 4.635,1016 5.527,1017 1.784,1018 8.261,1019 4.502,1020 7.967,1021 1.577,1022 9.576,1023 5.256,1024 6.55,1025 7.759,1026 3.588,1027 11.332,1028 6.393,1029 9.358,1030 1.47,1031 11.344,1032 4.53,1033 7.116,1034 8.661,1035 3.59,1036 13.305,1037 6.881,1038 10.784,1039 1.414,1040 13.156,1041 4.052,1042 8.544,1043 10.436,1044 4.925,1045 15.965,1046 8.281,1047 12.236,1048 1.33,1049 15.001,1050 3.604,1051 9.464,1052 11.695,1053 5.289,1054 18.278,1055 9.119,1056 13.709,1057 1.132,1058 16.871,1059 3.108,1060 10.725,1061 13.314,1062 6.391,1063 20.831,1064 10.34,1065 3.438,1066 1.115,1067 18.761,1068 2.781,1069 11.801,1070 14.729,1071 6.93,1072 23.277,1073 11.336,1074 3.208,1075 12.881,1076 20.667,1077 2.514,1078 13.009,1079 16.293,1080 7.903,1081 25.808,1082 12.492,1083 2.938,1084 11.008,1085 22.587,1086 4.743,1087 14.154,1088 17.777,1089 8.539,1090 28.308,1091 13.56,1092 2.675,1093 9.397,1094 24.518,1095 4.619,1096 15.352,1097 19.323,1098 9.436,1099 30.84,1100 14.696,1101 2.564,1102 8.216,1103 26.46,1104 3.967,1105 16.529,1106 20.838,1107 10.13,1108 33.364,1109 15.798,1110 2.417,1111 7.654,1112 28.409,1113 3.409,1114 17.728,1115 22.38,1116 10.981,1117 35.9,1118 16.929,1119 2.316,1120 6.984,1121 30.366,1122 3.265,1123 18.923,1124 23.909,1125 11.71,1126 38.436,1127 18.048,1128 28372,1129 46941,1130 29.531,1131 49.813,1132 67.664,1133 70.729,1134 70.017,1135 67.635,1136 67.615,1137 89.227,1138 10.145,1139 201.008,1140 65.377,1141 5.85,1142 6.711,1143 7.084,1144 5.464,1145 5.438,1146 7.743,1147 3.889,1148 20.644,1149 5.16,1150 23.439,1151 1.504,1152 1.572,1153 1.556,1154 1.503,1155 1.503,1156 1.983,1157 0.225,1158 4.467,1159 1.453,1160 4.166,1161 4.195,1162 4.738,1163 4.099,1164 7.718,1165 4.088,1166 4.079,1167 4.064,1168 4.12,1169 4.049,1170 7.435,1171 3.986,1172 3.912,1173 3.928,1174 3.875,1175 3.846,1176 7.427,1177 3.847,1178 3.866,1179 3.913,1180 3.744,1181 3.734,1182 6.999,1183 3.724,1184 3.652,1185 3.65,1186 3.709,1187 3.565,1188 4.939,1189 3.497,1190 3.564,1191 3.61,1192 3.496,1193 3.392,1194 4.809,1195 3.402,1196 3.314,1197 3.335,1198 3.28,1199 3.141,1200 4.705,1201 3.15,1202 3.268,1203 3.313,1204 3.182,1205 3.021,1206 4.51,1207 3.026,1208 0.109,1209 0.105,1210 0.164,1211 0.097,1212 0.076,1213 4.889,1214 0.105,1215 4.711,1216 0.049,1217 7.401,1218 0.286,1219 4.362,1220 0.07,1221 3.438,1222 4.743,1223 2.186,1224 12.881,1225 3.16,1226 1.988,1227 1.99,1228 2.055,1229 2.065,1230 1.259,1231 2.087,1232 1.962,1233 1.947,1234 2.022,1235 2.04,1236 1.213,1237 2.048,1238 1.896,1239 1.874,1240 1.988,1241 1.995,1242 1.211,1243 1.997,1244 1.608,1245 1.565,1246 1.86,1247 1.815,1248 1.172,1249 1.804,1250 1.577,1251 1.532,1252 1.805,1253 1.773,1254 1.127,1255 1.793,1256 1.574,1257 1.507,1258 1.771,1259 1.751,1260 0.898,1261 1.778,1262 1.473,1263 1.487,1264 1.574,1265 1.667,1266 0.684,1267 1.688,1268 1.293,1269 1.245,1270 1.552,1271 1.523,1272 0.62,1273 1.534,1274 4.511,1276 5.861,1277 3.045,1278 7.391,1279 5.352,1280 9.005,1281 7.402,1282 10.665,1284 5.129,1290 4.456,1291 5.001,1292 11.129,1294 -0.022,1300 47.442,1301 119.19,1302 281.033,1303 376.016,1304 417.235,1305 421.235,1306 421.235,1307 102.722,1308 8.653,1309 115.73,1310 124.11,1311 28,1312 13.014,1313 4.755,1314 4,1315 66.537,1316 230,1317 227,1318 0.138,1319 291.529,1320 512.03,1321 703.09,1322 84894,1324 29.148,1325 0.711,1326 0.587,1327 29.398,1328 24.085,1329 19.64,1330 0.436,1331 0.333,1332 13.436,1333 18.147,1334 12.918,1335 10.749,1336 20.461,1337 14.98,1338 18.482,1339 0.284,1340 0.184,1341 19.764,1342 11.988,1343 15.099,1344 0.178,1345 0.105,1346 16.239,1347 8.926,1348 13.065,1349 0.117,1350 0.058,1351 14.312,1352 6.55,1353 9.429,1354 0.073,1355 0.029,1356 10.221,1357 3.813,1358 0.222,1359 131.588,1360 0.184,1361 37.068,1362 0.364,1363 220,1364 677.584,1365 278.89,1366 666.22,1367 899.45,1368 616,1369 260,1370 629.356,1371 328.249,1372 674.45,1373 984.12,1374 629,1375 5.419} {0 CHEMBL60516,1 1.428,2 18.308,3 6.583,4 43.329,5 151.76,6 6.792,7 0.405,8 4.416,9 4.538,10 3.891,11 3.961,12 5.454,13 3.917,14 4.98,15 5.162,16 4.196,17 4.36,18 6.007,19 4.271,20 5.293,21 5.545,22 4.203,23 4.49,24 6.175,25 4.357,26 5.309,27 5.566,28 4.18,29 4.465,30 6.214,31 4.331,32 5.261,33 5.513,34 4.142,35 4.455,36 6.133,37 4.321,38 5.253,39 5.504,40 4.124,41 4.427,42 6.166,43 4.292,44 5.213,45 5.47,46 4.087,47 4.35,48 6.128,49 4.226,50 5.125,51 5.368,52 4.1,53 4.285,54 6.078,55 4.185,56 0.055,57 1.068,58 17.483,59 7.77,60 11.713,61 10.419,62 0.351,63 1.748,64 32.175,65 13.15,66 51.052,67 18.312,68 0.417,69 2.182,70 45.769,71 17.523,72 66.377,73 24.98,74 0.584,75 2.17,76 47.171,77 17.169,78 77.005,79 24.625,80 0.399,81 2.108,82 44.48,83 16.657,84 61.468,85 23.786,86 0.378,87 2.095,88 44.164,89 16.232,90 66.964,91 23.324,92 0.422,93 1.999,94 42.889,95 14.807,96 66.488,97 21.526,98 0.362,99 1.837,100 39.116,101 13.517,102 51.563,103 19.403,104 16,105 54,106 0.219,107 0.524,108 0.687,109 0.809,110 0.861,111 0.872,112 3.692,113 1.019,114 -5.47,115 -5.35,116 -4.99,118 41,120 12,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 24,169 1,171 1,172 5,175 2,177 2,180 27,181 1,185 1,186 7,189 1,191 2,194 25,195 1,197 1,198 8,201 1,203 2,206 21,207 1,210 9,215 3,218 18,219 1,222 11,227 5,229 13,230 1,234 12,239 5,242 9,243 2,247 12,252 4,255 7,256 3,258 2,259 13,260 1,264 4,267 6,268 3,270 3645,271 26.794,272 26.794,273 26.794,274 26.794,275 26.794,276 24.331,277 11.506,278 16.658,279 26.956,280 20.797,281 20.797,282 20.797,283 20.797,284 20.797,285 17.059,286 7.585,287 7.996,288 21.031,289 4.858,290 2.86,291 1.799,292 0.998,293 0.66,294 0.59,295 4.39,301 1513,302 4.69,305 135.295,306 482.982,313 3.069,314 35.288,317 0.5,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.7,325 83.5,326 714,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,352 8.178,353 2.59,354 3.639,355 2.829,356 5.34,357 3.521,358 2.521,359 3.06,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.24,367 2.235,368 2.71,370 6.368,371 2.222,372 3.522,373 2.263,374 4.659,375 3.197,376 2.209,377 2.534,379 5.184,380 2.18,381 3.269,382 2.036,383 4.542,384 2.821,385 1.843,386 2.518,388 4.677,389 1.8,390 2.996,391 1.895,392 4.17,393 2.707,394 1.715,395 2.143,397 3.872,398 1.7,399 2.757,400 1.8,401 3.957,402 2.598,403 1.598,404 1.798,406 3.482,407 1.593,408 2.708,409 1.533,410 3.714,411 2.456,412 1.476,413 1.715,415 3.162,416 1.444,417 2.513,418 1.499,419 3.634,420 2.373,421 1.379,422 1.502,424 3.063,425 1.367,426 2.5,427 1.307,428 3.478,429 2.073,430 1.085,431 1.5,433 2.63,434 1.068,435 2.5,436 1.174,437 3.414,438 2,439 1,440 1.5,442 2.323,443 1,444 2.415,445 1.03,446 3.389,447 2,448 1,449 1.363,451 2.275,452 1,453 2.341,454 1,455 3.267,456 1.964,457 1,458 1.243,460 2.136,461 0.961,462 18.533,463 0.475,464 0.661,465 0.017,466 44.25,467 1.135,468 20.5,469 0.526,470 23.75,471 0.609,472 39.907,473 1.023,474 43.267,475 0.555,476 34.735,477 0.891,478 7.932,479 0.203,480 11.166,481 0.286,482 0.054,484 0.243,487 0.757,488 1.262,489 0.885,490 1.142,491 0.623,492 1.047,493 0.568,494 1.21,495 0.979,496 1.184,497 0.428,498 1.144,499 0.689,500 0.985,501 0.893,502 0.995,503 0.704,504 0.977,505 0.827,506 0.942,507 0.924,508 0.934,509 0.811,510 0.941,511 0.856,512 0.975,513 0.957,514 0.965,515 0.796,516 0.973,517 0.872,518 1.072,519 0.988,520 1.036,521 0.829,522 1.027,523 1.013,524 1.01,525 0.98,526 0.954,527 0.923,528 0.953,529 1.088,530 1.032,531 0.947,532 0.971,533 0.928,534 0.936,535 5.5,536 0.244,537 3.556,538 1.625,539 1.224,540 0.872,541 0.564,542 0.435,543 0.448,544 0.32,545 29113,546 66607,547 2.082,548 50,549 21,550 9,551 1,552 2,553 2,554 2,555 2,558 1.79,559 2,560 4.093,561 0.085,567 111.376,568 1.428,569 3.425,570 4.487,571 5.287,572 5.625,573 5.696,574 3.643,575 4.805,576 5.247,577 4.332,578 3210.17,579 9.237,580 60601.3,585 490.261,586 1.14,587 5.24,588 0.131,589 0.005,590 0.066,591 0.031,592 0.024,593 0.017,594 0.012,595 0.009,596 0.01,597 0.007,598 0.312,599 0.17,600 0.63,601 1.233,602 225.902,603 -0.031,604 -0.052,605 0.036,606 0.004,607 0.002,608 0.025,609 0.17,610 -0.092,611 -0.041,612 -0.108,613 0.186,614 -0.106,615 0.051,616 0.007,617 0.063,618 0.016,619 0.05,620 0.035,621 0.059,622 0.037,623 0.053,624 0.055,625 0.019,626 0.053,627 -0.054,628 0.02,629 0.007,630 0.039,631 -0.054,632 0.032,633 -0.047,634 -0.071,635 -0.02,636 -0.039,637 -0.026,638 -0.028,639 -0.072,640 -0.002,641 0.008,642 0.013,643 -0.055,644 0.022,645 -0.056,646 -0.012,647 0.049,648 0.002,649 -0.046,650 0.039,651 2.431,652 5.559,653 0.59,654 67.057,655 0.994,656 1.126,657 4.237,658 17.956,659 0.648,660 3.761,661 4.007,662 4.22,663 4.419,664 4.585,665 4.625,666 4.745,667 4.86,668 4.977,669 5.056,670 10.472,671 0.608,672 529.74,673 3.761,674 5.263,675 6.075,676 6.911,677 7.743,678 8.588,679 9.431,680 10.282,681 11.132,682 11.989,683 3.8,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 78,726 20,727 1,728 42,730 81,731 32,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 12,753 18,754 14,755 1,756 3,761 2,763 1,765 3,772 39,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 39,845 1,846 13,847 1,850 1,862 5.1,864 1,865 2,867 1,869 19.5,870 13.517,871 8.861,872 5.304,874 3.021,875 1.376,876 0.947,877 11.345,878 11.047,879 3.998,880 4.48,881 4.983,882 5.495,883 5.944,884 6.23,885 6.645,886 7.011,887 7.397,888 7.743,889 1,890 53,891 14.494,893 6.04,894 7.709,895 28.234,897 23.191,899 2.209,900 86.167,904 435.531,905 154.822,906 51.582,908 102.481,911 154.822,912 538.011,913 51.582,915 50.531,916 78.073,917 160.721,918 43.101,919 11.771,920 400.217,922 435.531,923 206.404,924 102.481,927 411.989,928 126.023,931 76.402,932 86.954,933 43.047,935 435.531,936 154.062,937 154.822,940 435.531,941 58.654,942 96.168,943 18.011,944 136.052,945 435.531,946 154.062,947 154.822,949 0.559,950 0.311,951 0.164,952 0.086,953 21,954 9,955 0.173,956 14,958 1,959 5.193,960 347.245,962 23,963 198.131,968 28.766,969 15.381,970 9.18,972 154.062,973 16.765,974 8.673,976 5.63,978 3.501,980 60.694,981 744.415,982 53.5,987 23.348,989 2.136,991 0.073,994 77.519,995 87.806,996 0.227,997 0.545,998 0.714,999 0.841,1000 0.895,1001 0.906,1002 5.2,1003 1.715,1004 6.004,1005 4.677,1006 4.691,1007 5.168,1008 2.468,1009 6.723,1010 4.67,1011 6.345,1012 1.598,1013 7.499,1014 3.872,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.604,1021 1.476,1022 9.101,1023 3.482,1024 6.184,1025 7.213,1026 3.693,1027 10.556,1028 6.145,1029 8.901,1030 1.379,1031 10.77,1032 3.162,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.361,1038 10.236,1039 1.085,1040 12.486,1041 3.063,1042 7.962,1043 9.579,1044 5.217,1045 14.785,1046 7.906,1047 11.599,1048 1,1049 14.235,1050 2.63,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.552,1056 12.982,1057 1,1058 16.008,1059 2.323,1060 9.906,1061 12.116,1062 6.852,1063 19.199,1064 9.833,1065 3.042,1066 1,1067 17.797,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.695,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.95,1079 14.75,1080 8.526,1081 23.702,1082 11.858,1083 2.6,1084 9.413,1085 21.41,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.831,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.053,1097 17.438,1098 10.216,1099 28.251,1100 13.943,1101 2.235,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.97,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.063,1119 1.843,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.119,1128 27880,1129 42553,1130 28.602,1131 50.54,1132 61.564,1133 62.517,1134 61.749,1135 60.723,1136 60.738,1137 76.397,1138 6.798,1139 160.195,1140 60.065,1141 5.411,1142 5.596,1143 6.304,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 15.78,1151 1.466,1152 1.488,1153 1.47,1154 1.446,1155 1.446,1156 1.819,1157 0.162,1158 3.814,1159 1.43,1160 4.047,1161 4.072,1162 4.004,1163 3.971,1164 7.474,1165 3.972,1166 3.903,1167 3.957,1168 3.849,1169 3.802,1170 7.429,1171 3.785,1172 3.888,1173 3.916,1174 3.76,1175 3.757,1176 6.351,1177 3.771,1178 3.741,1179 3.784,1180 3.675,1181 3.598,1182 5.149,1183 3.616,1184 3.723,1185 3.772,1186 3.598,1187 3.58,1188 4.916,1189 3.576,1190 3.62,1191 3.677,1192 3.473,1193 3.469,1194 4.661,1195 3.459,1196 3.455,1197 3.489,1198 3.351,1199 3.295,1200 4.31,1201 3.3,1202 3.33,1203 3.398,1204 3.201,1205 3.12,1206 4.229,1207 3.121,1208 0.105,1209 0.086,1210 0.155,1211 0.096,1212 0.072,1213 4.411,1214 0.097,1215 3.596,1216 0.056,1217 6.502,1218 0.243,1219 4.036,1220 0.072,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.132,1229 2.055,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.079,1235 2.047,1236 1.327,1237 2.063,1238 1.798,1239 1.767,1240 1.955,1241 1.912,1242 1.261,1243 1.921,1244 1.717,1245 1.665,1246 1.925,1247 1.886,1248 1.163,1249 1.899,1250 1.676,1251 1.615,1252 1.901,1253 1.88,1254 0.964,1255 1.892,1256 1.484,1257 1.45,1258 1.648,1259 1.687,1260 0.93,1261 1.677,1262 1.431,1263 1.395,1264 1.642,1265 1.632,1266 0.835,1267 1.628,1268 1.255,1269 1.187,1270 1.513,1271 1.481,1272 0.825,1273 1.49,1274 4.443,1276 5.707,1277 2.398,1278 7.154,1279 4.595,1280 8.684,1281 6.605,1282 10.262,1289 8.87,1290 13.326,1291 2.971,1294 0.874,1300 47.406,1301 111.376,1302 267.176,1303 349.949,1304 412.387,1305 438.752,1306 444.261,1307 88.707,1308 8.026,1309 105.32,1310 105.32,1311 23,1312 12.544,1313 4.392,1314 3.644,1315 70.774,1316 243,1317 263,1318 0.137,1319 292.318,1320 519.14,1321 705.017,1322 41503,1324 27.288,1325 0.7,1326 0.58,1327 27.288,1328 22.61,1329 19.097,1330 0.455,1331 0.34,1332 14.143,1333 18.555,1334 13.894,1335 11.571,1336 19.097,1337 14.268,1338 16.221,1339 0.3,1340 0.192,1341 16.221,1342 10.37,1343 12.978,1344 0.194,1345 0.11,1346 12.978,1347 7.395,1348 10.358,1349 0.126,1350 0.064,1351 10.358,1352 5.221,1353 8.01,1354 0.083,1355 0.038,1356 8.01,1357 3.649,1358 0.226,1359 118.587,1360 0.187,1361 36.534,1362 0.347,1363 192,1364 530.979,1365 207.458,1366 511.861,1367 689.5,1368 478,1369 217,1370 495.286,1371 231.272,1372 500.491,1373 724.15,1374 472,1375 5} {0 CHEMBL60572,1 1.471,2 14.563,3 3.686,4 13.584,5 125.145,6 7.354,7 0.333,8 4.155,9 4.274,10 3.722,11 3.745,12 5.212,13 3.714,14 4.714,15 4.885,16 4.083,17 4.164,18 5.741,19 4.104,20 5.014,21 5.234,22 4.171,23 4.309,24 6.016,25 4.225,26 5.033,27 5.267,28 4.057,29 4.225,30 6.09,31 4.13,32 4.911,33 5.145,34 3.95,35 4.112,36 5.922,37 4.021,38 4.827,39 5.049,40 3.905,41 4.017,42 6.001,43 3.934,44 4.749,45 4.974,46 3.757,47 3.943,48 5.79,49 3.853,50 4.665,51 4.891,52 3.662,53 3.876,54 5.701,55 3.776,56 0.022,57 0.845,58 11.66,59 5.302,60 6.211,61 7.032,62 0.222,63 1.421,64 22.391,65 9.259,66 20.199,67 12.685,68 0.188,69 1.794,70 32.694,71 12.719,72 38.094,73 17.699,74 0.464,75 1.766,76 34.953,77 12.382,78 65.892,79 17.083,80 0.282,81 1.557,82 30.78,83 11.079,84 46.433,85 15.266,86 0.506,87 1.444,88 28.281,89 9.72,90 83.562,91 13.37,92 0.338,93 1.338,94 26.163,95 8.929,96 49.462,97 12.095,98 0.24,99 1.216,100 23.829,101 8.619,102 42.509,103 11.735,104 5,105 50,106 0.238,107 0.595,108 0.76,109 0.838,110 0.874,111 0.891,112 3.502,113 0.945,114 -4.65,115 -4.57,116 -4.3,118 44.8,120 7,124 1,133 2,134 1,135 1,140 4,141 4,142 1,143 2,154 3,168 16,171 2,172 10,175 1,177 2,180 17,186 9,191 2,194 13,197 2,198 12,201 1,203 2,206 10,210 9,215 1,218 9,221 2,222 8,225 2,227 2,229 9,234 5,237 1,239 2,242 9,247 6,252 2,255 9,258 1,259 7,264 2,267 7,270 1842,271 22.137,272 22.137,273 22.137,274 22.137,275 22.137,276 19.982,277 27.7,278 13.271,279 22.371,280 17.815,281 17.815,282 17.815,283 17.815,284 17.815,285 14.247,286 28.414,287 6.374,288 18.162,289 4.387,290 2.173,291 1.156,292 0.673,293 0.448,294 0.345,295 4.217,299 1,300 1,301 1043,302 3.536,306 376.56,310 328.13,313 2.375,314 30.39,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 68,326 466,327 4.583,328 3.809,329 6.802,330 4.231,331 3.257,332 4.22,333 1.257,334 11.192,335 3.177,336 4.248,337 3.548,338 6.252,339 3.888,340 2.9,341 3.69,342 1.058,343 9.424,344 2.863,345 4.004,346 3.119,347 6.016,348 3.682,349 2.68,350 3.444,351 0.78,352 8.54,353 2.677,354 3.896,355 2.908,356 5.794,357 3.512,358 2.522,359 3.363,360 0.219,361 7.701,362 2.498,363 3.641,364 2.718,365 5.34,366 3.27,367 2.295,368 2.909,370 6.965,371 2.226,372 3.453,373 2.507,374 5.292,375 3.067,376 2.091,377 2.665,379 6.42,380 2.031,381 2.99,382 1.959,383 4.55,384 2.728,385 1.752,386 2.121,388 4.586,389 1.708,390 2.942,391 1.93,392 4.25,393 2.596,394 1.6,395 2.04,397 4.027,398 1.592,399 2.93,400 1.802,401 3.936,402 2.479,403 1.512,404 1.959,406 3.318,407 1.459,408 2.598,409 1.566,410 3.735,411 2.411,412 1.415,413 1.546,415 3.019,416 1.409,417 2.544,418 1.53,419 3.625,420 2.265,421 1.266,422 1.5,424 2.85,425 1.258,426 2.5,427 1.408,428 3.503,429 2.049,430 1.064,431 1.48,433 2.814,434 1.044,435 2.477,436 1.121,437 3.42,438 1.956,439 1,440 1.371,442 2.136,443 0.954,444 1.96,445 1.033,446 3.247,447 1.672,448 0.678,449 0.793,451 1.558,452 0.67,453 1.871,454 1,455 3.051,456 1.638,457 0.614,458 0.766,460 1.462,461 0.624,462 15.267,463 0.477,464 0.657,465 0.021,466 40.75,467 1.273,468 20,469 0.625,470 20.75,471 0.648,472 27.964,473 0.874,474 33.333,475 0.575,476 30.219,477 0.944,478 7.565,479 0.236,480 8.122,481 0.254,482 0.044,484 0.321,487 0.657,488 1.258,489 0.774,490 1.036,491 0.501,492 0.936,493 0.592,494 1.102,495 0.884,496 1.035,497 0.515,498 0.999,499 0.819,500 1.123,501 0.868,502 1.042,503 0.733,504 0.972,505 1.191,506 0.95,507 1.031,508 0.968,509 1.272,510 0.977,511 1.228,512 1.02,513 0.977,514 0.977,515 1.284,516 0.95,517 1.198,518 0.993,519 1.052,520 0.98,521 1.274,522 0.994,523 1.557,524 0.953,525 1.182,526 0.97,527 1.567,528 1.016,529 1.351,530 1.032,531 1.131,532 1.051,533 1.36,534 1.061,535 5,536 0.107,537 3.333,538 1.688,539 2.107,540 0.951,541 0.625,542 0.358,543 0.324,544 0.207,545 16974,546 38915,547 2.174,548 44.8,549 12,550 8,551 1,552 2,553 1,555 2,558 1.739,559 2.087,560 3.788,561 -0.403,563 1,567 85.34,568 1.471,569 3.685,570 4.702,571 5.185,572 5.41,573 5.513,574 3.281,575 4.515,576 4.965,577 3.979,578 1973.54,579 8.654,580 29987.1,582 1,585 339.763,586 1.198,587 4.954,588 0.139,589 0.004,590 0.067,591 0.032,592 0.047,593 0.023,594 0.016,595 0.011,596 0.011,597 0.007,598 0.357,599 0.17,600 0.88,601 0.406,602 171.326,603 -0.013,604 -0.121,605 0.058,606 -0.014,607 0.009,608 0.022,609 0.149,610 -0.014,611 0.008,612 -0.038,613 0.072,614 -0.036,615 0.019,616 -0.126,617 0.087,618 -0.048,619 0.064,620 0.017,621 0.009,622 0.038,623 -0.023,624 -0.004,625 -0.029,626 -0.015,627 -0.085,628 -0.045,629 0.026,630 -0.003,631 -0.086,632 0.023,633 0.151,634 0.015,635 -0.037,636 -0.029,637 0.131,638 -0.052,639 -0.208,640 0.06,641 -0.168,642 -0.023,643 -0.181,644 -0.077,645 -0.162,646 -0.048,647 -0.134,648 -0.079,649 -0.102,650 -0.097,651 1.842,652 6.169,653 0.75,654 41.48,655 0.996,656 1.12,657 3.425,658 11.73,659 0.678,660 3.611,661 3.932,662 4.234,663 4.511,664 4.82,665 4.934,666 5.118,667 5.318,668 5.501,669 5.537,670 8.291,671 0.643,672 426.56,673 3.611,674 5.153,675 6.014,676 6.893,677 7.773,678 8.662,679 9.553,680 10.451,681 11.349,682 12.252,683 6.9,690 2,692 1,693 1,699 6,700 1,704 5,706 12,713 1,724 58,726 17,727 1,728 36,730 62,731 26,733 11,734 4,735 2,736 7,739 5,740 11,748 4,751 7,753 18,754 8,756 5,761 2,763 3,764 1,765 4,769 1,772 26,773 6,774 1,775 6,779 4,781 1,784 0.4,785 2,795 1,802 5,806 3,816 1,822 2,823 1,832 2,840 32,846 8,847 1,851 1,862 3.4,865 2,869 15.333,870 10.433,871 7,872 3.879,874 3.255,875 1.383,876 1.019,877 5.897,878 11.743,879 3.871,880 4.419,881 4.997,882 5.535,883 6.109,884 6.423,885 6.817,886 7.232,887 7.66,888 7.924,889 0.9,890 53,891 11.925,893 5.197,894 7.672,895 23.117,897 19.625,899 2.172,900 69.5,903 1,904 294.278,905 134.269,906 54.706,908 50.29,911 134.269,912 344.567,913 54.706,915 50.03,916 56.857,917 102.355,918 53.565,919 11.771,920 258.964,922 294.278,923 188.975,924 50.29,927 270.735,928 73.832,931 75.863,932 77.374,933 35.738,935 294.278,936 104.996,937 134.269,940 294.278,941 50.269,942 87.124,943 18.011,944 83.861,945 294.278,946 104.996,947 134.269,949 0.577,950 0.34,951 0.185,952 0.105,953 25,954 10,955 0.097,956 6,957 3,958 1.25,959 4.508,960 293.275,961 0.25,962 24,963 160,968 20.694,969 9.12,970 4.415,972 104.996,973 11.708,974 4.121,978 5.119,980 18.011,981 533.543,982 47,987 25.8,989 5.086,990 4.689,991 0.729,994 57.781,995 64.979,996 0.251,997 0.629,998 0.803,999 0.885,1000 0.923,1001 0.941,1002 5.118,1003 1.6,1004 5.984,1005 4.586,1006 4.615,1007 5.106,1008 2.023,1009 6.795,1010 4.579,1011 6.305,1012 1.512,1013 7.537,1014 4.027,1015 4.111,1016 4.808,1017 0.325,1018 7.676,1019 4.071,1020 7.604,1021 1.415,1022 9.195,1023 3.318,1024 6.201,1025 7.227,1026 2.145,1027 10.813,1028 6.128,1029 8.939,1030 1.266,1031 10.915,1032 3.019,1033 6.553,1034 7.768,1035 0.766,1036 12.539,1037 6.473,1038 10.308,1039 1.064,1040 12.676,1041 2.85,1042 8.077,1043 9.637,1044 2.343,1045 15.187,1046 7.968,1047 11.701,1048 1,1049 14.464,1050 2.814,1051 8.842,1052 10.581,1053 1.259,1054 17.271,1055 8.72,1056 13.113,1057 0.678,1058 16.273,1059 2.136,1060 10.134,1061 12.21,1062 2.593,1063 19.752,1064 9.984,1065 3.257,1066 0.614,1067 18.096,1068 1.558,1069 11.101,1070 13.368,1071 1.765,1072 22.002,1073 10.932,1074 2.9,1075 11.192,1076 19.931,1077 1.462,1078 12.299,1079 14.885,1080 2.884,1081 24.425,1082 12.104,1083 2.68,1084 9.424,1085 21.775,1086 4.22,1087 13.364,1088 16.159,1089 2.27,1090 26.754,1091 13.146,1092 2.522,1093 8.54,1094 23.627,1095 3.69,1096 14.529,1097 17.623,1098 3.21,1099 29.16,1100 14.284,1101 2.295,1102 7.701,1103 25.485,1104 3.444,1105 15.643,1106 18.964,1107 2.771,1108 31.527,1109 15.372,1110 2.091,1111 6.965,1112 27.35,1113 3.363,1114 16.8,1115 20.405,1116 3.563,1117 33.93,1118 16.502,1119 1.752,1120 6.42,1121 29.219,1122 2.909,1123 17.939,1124 21.784,1125 3.266,1126 36.318,1127 17.614,1128 15558,1129 23734,1130 24.849,1131 39.307,1132 54.836,1133 56.012,1134 54.556,1135 53.519,1136 53.51,1137 68.027,1138 6.628,1139 152.593,1140 52.588,1141 5.528,1142 5.809,1143 6.604,1144 5.304,1145 5.257,1146 7.22,1147 2.38,1148 18.738,1149 5.177,1150 10.247,1151 1.523,1152 1.556,1153 1.515,1154 1.487,1155 1.486,1156 1.89,1157 0.184,1158 4.239,1159 1.461,1160 4.078,1161 4.107,1162 4.04,1163 3.997,1164 7.431,1165 4.001,1166 3.904,1167 3.948,1168 3.828,1169 3.807,1170 7.425,1171 3.806,1172 3.848,1173 3.886,1174 3.787,1175 3.739,1176 4.9,1177 3.748,1178 3.655,1179 3.719,1180 3.546,1181 3.493,1182 4.854,1183 3.493,1184 3.534,1185 3.581,1186 3.408,1187 3.425,1188 4.543,1189 3.413,1190 3.311,1191 3.373,1192 3.204,1193 3.115,1194 4.228,1195 3.131,1196 3.181,1197 3.231,1198 3.1,1199 3.027,1200 4.124,1201 3.026,1202 3.089,1203 3.142,1204 2.945,1205 2.928,1206 3.909,1207 2.926,1208 0.127,1209 0.106,1210 0.189,1211 0.118,1212 0.09,1213 4.583,1214 0.117,1215 3.809,1216 0.035,1217 6.802,1218 0.311,1219 4.231,1220 0.088,1221 3.257,1222 4.22,1223 1.257,1224 11.192,1225 3.177,1226 2.028,1227 2.004,1228 2.135,1229 2.126,1230 1.44,1231 2.126,1232 1.881,1233 1.841,1234 2.038,1235 2.009,1236 1.324,1237 2.02,1238 1.817,1239 1.784,1240 1.93,1241 1.958,1242 1.06,1243 1.955,1244 1.633,1245 1.571,1246 1.849,1247 1.826,1248 0.998,1249 1.837,1250 1.537,1251 1.493,1252 1.713,1253 1.675,1254 0.893,1255 1.689,1256 1.261,1257 1.2,1258 1.518,1259 1.498,1260 0.764,1261 1.507,1262 1.172,1263 1.111,1264 1.475,1265 1.363,1266 0.685,1267 1.402,1268 1.057,1269 1.008,1270 1.26,1271 1.266,1272 0.367,1273 1.261,1274 4.29,1276 5.609,1278 7.14,1280 8.772,1282 10.461,1290 7.797,1291 2.957,1295 1.495,1300 37.31,1301 85.34,1302 213.724,1303 272.743,1304 300.743,1305 313.763,1306 319.763,1307 56.007,1308 8.489,1309 76.36,1310 76.36,1311 30,1312 12.774,1313 4.17,1314 3.585,1315 46.127,1316 159,1317 174,1318 0.139,1319 226.173,1320 407.3,1321 543.621,1322 68664,1324 21.916,1325 0.685,1326 0.563,1327 21.916,1328 18.011,1329 15.687,1330 0.436,1331 0.315,1332 11.236,1333 15.261,1334 11.031,1335 9.116,1336 15.687,1337 11.34,1338 13.911,1339 0.278,1340 0.17,1341 13.911,1342 8.482,1343 12.199,1344 0.179,1345 0.092,1346 12.199,1347 6.234,1348 10.175,1349 0.113,1350 0.05,1351 10.175,1352 4.475,1353 8.75,1354 0.071,1355 0.027,1356 8.75,1357 3.313,1358 0.226,1359 97.175,1360 0.201,1361 30.619,1362 0.362,1363 172,1364 456.739,1365 184.394,1366 447.705,1367 619.75,1368 420,1369 204,1370 461.766,1371 217.145,1372 469.607,1373 691.43,1374 444,1375 6.523} {0 CHEMBL60625,1 1.532,2 13.214,3 2.172,4 4.719,5 107.663,6 7.76,7 0.387,8 3.972,9 4.087,10 3.58,11 3.555,12 5.114,13 3.54,14 4.485,15 4.644,16 3.917,17 3.936,18 5.611,19 3.895,20 4.758,21 4.967,22 3.993,23 4.046,24 5.861,25 3.989,26 4.768,27 4.992,28 3.869,29 3.943,30 5.941,31 3.879,32 4.638,33 4.856,34 3.712,35 3.847,36 5.745,37 3.772,38 4.573,39 4.796,40 3.618,41 3.765,42 5.787,43 3.667,44 4.485,45 4.729,46 3.454,47 3.653,48 5.494,49 3.547,50 4.364,51 4.597,52 3.406,53 3.532,54 5.464,55 3.452,56 0.018,57 0.706,58 8.72,59 4.111,60 6.984,61 5.23,62 0.202,63 1.147,64 16.381,65 6.834,66 19.691,67 9.03,68 0.171,69 1.407,70 24.367,71 9.319,72 36.453,73 12.576,74 0.459,75 1.367,76 26.352,77 8.866,78 66.381,79 11.686,80 0.283,81 1.184,82 22.8,83 8.182,84 50.666,85 10.673,86 0.433,87 1.106,88 21.52,89 7.907,90 76.559,91 10.669,92 0.233,93 1.02,94 20.083,95 7.257,96 38.051,97 9.911,98 0.197,99 0.896,100 17.649,101 6.196,102 36.918,103 8.305,104 5,105 42,106 0.257,107 0.632,108 0.814,109 0.903,110 0.91,111 0.91,112 3.374,113 0.9,114 -3.82,115 -3.78,116 -3.59,118 45.8,120 3,124 1,133 2,134 1,135 1,140 6,141 2,142 1,143 2,154 3,168 11,171 2,172 10,175 1,177 2,180 9,186 9,191 2,194 5,197 2,198 11,201 1,203 2,206 6,210 5,215 1,218 8,221 2,222 3,225 2,227 2,229 8,234 3,237 1,239 2,242 5,247 6,252 2,255 4,258 1,259 6,264 1,267 5,270 1322,271 19.328,272 19.328,273 19.328,274 19.328,275 19.328,276 17.146,277 21.992,278 11.715,279 19.561,280 15.327,281 15.327,282 15.327,283 15.327,284 15.327,285 11.889,286 24.417,287 5.603,288 15.675,289 4.053,290 1.824,291 0.74,292 0.208,293 0.167,294 0.167,295 4.077,298 1,299 1,300 1,301 816,302 3.391,306 298.716,310 220.027,313 2.071,314 28.341,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 60,326 370,327 4.537,328 3.804,329 6.781,330 4.191,331 3.224,332 4.094,333 1.257,334 11.091,335 3.122,336 4.161,337 3.547,338 6.113,339 3.785,340 2.783,341 3.589,342 1.058,343 8.876,344 2.783,345 3.896,346 2.908,347 5.862,348 3.512,349 2.522,350 3.444,351 0.78,352 7.946,353 2.498,354 3.745,355 2.718,356 5.34,357 3.388,358 2.421,359 3.029,360 0.219,361 6.965,362 2.331,363 3.515,364 2.669,365 5.281,366 3.068,367 2.086,368 2.748,370 6.336,371 2.038,372 3.027,373 1.974,374 4.257,375 2.732,376 1.757,377 2.132,379 4.039,380 1.711,381 2.948,382 1.804,383 4.129,384 2.497,385 1.524,386 2.101,388 3.385,389 1.481,390 2.83,391 1.581,392 3.739,393 2.41,394 1.425,395 1.892,397 3.323,398 1.4,399 2.732,400 1.565,401 3.687,402 2.266,403 1.273,404 1.726,406 3.056,407 1.26,408 2.57,409 1.396,410 3.499,411 2.222,412 1.237,413 1.533,415 2.808,416 1.214,417 2.5,418 1.3,419 3.453,420 1.956,421 1,422 1.5,424 2.136,425 0.954,426 2.42,427 1.034,428 3.247,429 1.793,430 0.775,431 1.17,433 1.87,434 0.782,435 1.871,436 1,437 3.03,438 1.668,439 0.67,440 0.766,442 1.456,443 0.664,444 1.673,445 0.606,446 2.869,447 1.065,448 0.075,449 0.104,451 0.191,452 0.073,453 1.102,454 0.282,455 2.532,456 0.87,457 -0.124,458 -0.145,460 -0.277,461 -0.122,462 13.267,463 0.474,464 0.538,465 0.019,466 38.25,467 1.366,468 20,469 0.714,470 18.25,471 0.652,472 20.305,473 0.725,474 28.733,475 0.599,476 27.837,477 0.994,478 7.585,479 0.271,480 6.136,481 0.219,482 0.05,484 0.294,487 0.668,488 1.28,489 0.73,490 1.021,491 0.521,492 0.904,493 0.628,494 1.128,495 0.881,496 1.038,497 0.564,498 0.999,499 0.9,500 1.162,501 0.859,502 1.047,503 0.804,504 0.96,505 1.351,506 0.888,507 1.066,508 0.903,509 1.411,510 0.932,511 1.374,512 0.969,513 1.086,514 0.982,515 1.428,516 0.99,517 0.882,518 0.954,519 1.045,520 1.036,521 0.994,522 1.068,523 1.011,524 0.955,525 1.03,526 1.012,527 1.014,528 1.022,529 1.242,530 1.003,531 1.02,532 0.992,533 1.208,534 0.973,535 4,536 0.07,537 2.889,538 1.563,539 1.582,540 0.729,541 0.402,542 0.299,543 0.226,544 0.137,545 11597,546 30372,547 2.137,548 41.7,549 4,550 10,551 1,552 2,553 1,555 2,558 1.703,559 2.049,560 3.654,561 -0.358,562 1,563 1,567 73.532,568 1.532,569 3.761,570 4.845,571 5.377,572 5.418,573 5.418,574 3.128,575 4.593,576 4.776,577 3.842,578 1452.1,579 8.266,580 20161.3,582 1,584 1,585 268.078,586 1.198,587 4.76,588 0.129,589 0.004,590 0.069,591 0.036,592 0.043,593 0.023,594 0.014,595 0.012,596 0.01,597 0.006,598 0.345,599 0.33,600 1,601 0.444,602 143.888,603 -0.029,604 -0.164,605 0.049,606 -0.04,607 -0.018,608 0.005,609 0.136,610 -0.039,611 -0.023,612 -0.075,613 0.041,614 -0.077,615 -0.008,616 -0.168,617 0.097,618 -0.069,619 0.045,620 0.015,621 -0.048,622 0.106,623 -0.038,624 0.044,625 -0.062,626 0.013,627 -0.178,628 -0.008,629 -0.078,630 -0.007,631 -0.14,632 -0.021,633 0.225,634 -0.005,635 -0.036,636 -0.054,637 0.184,638 -0.083,639 -0.044,640 -0.007,641 -0.012,642 -0.031,643 -0.06,644 -0.018,645 -0.112,646 -0.048,647 0.006,648 -0.021,649 -0.035,650 0.01,651 1.858,652 5.683,653 0.714,654 31.102,655 1.003,656 1.119,657 2.587,658 6.692,659 0.688,660 3.466,661 3.761,662 4.043,663 4.29,664 4.554,665 4.605,666 4.727,667 4.852,668 4.963,669 4.89,670 7.638,671 0.661,672 372.46,673 3.466,674 4.99,675 5.838,676 6.703,677 7.57,678 8.446,679 9.323,680 10.207,681 11.091,682 11.981,683 8.3,690 2,692 1,693 1,699 8,700 1,704 3,706 12,713 1,724 48,726 17,727 1,728 31,730 51,731 22,733 11,734 2,735 4,736 7,739 4,740 7,751 3,753 18,754 4,756 5,761 2,763 3,764 1,765 4,769 1,772 20,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,840 28,846 4,847 1,851 1,862 4.2,865 2,869 13.667,870 8.6,871 6.222,872 2.983,874 3.242,875 1.421,876 1.006,877 5.339,878 10.948,879 3.761,880 4.29,881 4.856,882 5.373,883 5.904,884 6.116,885 6.482,886 6.861,887 7.253,888 7.428,889 0.889,890 44,891 10.377,893 4.455,894 7.792,895 19.717,897 16.165,899 2.292,900 64.167,904 223.651,905 136.712,906 54.706,908 50.29,911 136.712,912 273.941,913 54.706,915 39.892,916 75.81,917 102.355,918 47.194,919 11.771,920 188.338,922 223.651,923 191.418,924 50.29,927 200.109,928 73.832,931 65.725,932 89.956,933 35.738,935 223.651,936 104.996,937 136.712,940 223.651,941 33.76,942 106.077,943 18.011,944 83.861,945 223.651,946 104.996,947 136.712,949 0.572,950 0.337,951 0.182,952 0.101,953 20,954 8,955 0.118,956 6,957 2,958 1.2,959 4.162,960 234.905,961 0.2,962 20,963 134.606,968 18.182,969 8.222,970 4.067,972 104.996,973 14.809,974 4.1,978 2.383,980 18.011,981 465.359,982 42,987 25.122,989 4.953,990 4.48,991 0.603,994 48.131,995 53.734,996 0.274,997 0.673,998 0.868,999 0.963,1000 0.97,1001 0.97,1002 4.984,1003 1.425,1004 5.796,1005 3.385,1006 4.443,1007 4.977,1008 2.023,1009 6.586,1010 4.4,1011 6.166,1012 1.273,1013 7.338,1014 3.323,1015 3.892,1016 4.559,1017 0.325,1018 7.452,1019 3.841,1020 7.453,1021 1.237,1022 8.986,1023 3.056,1024 6.004,1025 7.072,1026 2.145,1027 10.587,1028 5.915,1029 8.777,1030 1,1031 10.701,1032 2.808,1033 6.33,1034 7.502,1035 0.766,1036 12.322,1037 6.23,1038 10.135,1039 0.775,1040 12.46,1041 2.136,1042 7.865,1043 9.443,1044 2.343,1045 14.968,1046 7.728,1047 11.519,1048 0.67,1049 14.248,1050 1.87,1051 8.616,1052 10.295,1053 1.259,1054 17.064,1055 8.461,1056 12.922,1057 0.075,1058 16.058,1059 1.456,1060 9.911,1061 11.969,1062 2.593,1063 19.547,1064 9.722,1065 3.224,1066 -0.124,1067 17.883,1068 0.191,1069 10.871,1070 13.052,1071 1.765,1072 21.805,1073 10.655,1074 2.783,1075 11.091,1076 19.721,1077 -0.277,1078 12.069,1079 14.59,1080 2.884,1081 24.232,1082 11.82,1083 2.522,1084 8.876,1085 21.569,1086 4.094,1087 13.131,1088 15.804,1089 2.27,1090 26.564,1091 12.851,1092 2.421,1093 7.946,1094 23.425,1095 3.589,1096 14.295,1097 17.271,1098 3.21,1099 28.973,1100 13.981,1101 2.086,1102 6.965,1103 25.288,1104 3.444,1105 15.405,1106 18.562,1107 2.771,1108 31.342,1109 15.058,1110 1.757,1111 6.336,1112 27.157,1113 3.029,1114 16.56,1115 19.993,1116 3.563,1117 33.745,1118 16.178,1119 1.524,1120 4.039,1121 29.031,1122 2.748,1123 17.696,1124 21.329,1125 3.266,1126 36.132,1127 17.278,1128 10817,1129 17673,1130 21.266,1131 33.023,1132 46.916,1133 47.884,1134 46.699,1135 45.56,1136 45.542,1137 59.658,1138 6.628,1139 126.957,1140 44.62,1141 5.474,1142 5.804,1143 6.583,1144 5.264,1145 5.224,1146 7.094,1147 2.38,1148 18.627,1149 5.122,1150 9.417,1151 1.513,1152 1.545,1153 1.506,1154 1.47,1155 1.469,1156 1.924,1157 0.214,1158 4.095,1159 1.439,1160 4.033,1161 4.064,1162 4,1163 3.928,1164 7.431,1165 3.94,1166 3.901,1167 3.945,1168 3.826,1169 3.804,1170 7.425,1171 3.803,1172 3.779,1173 3.812,1174 3.721,1175 3.685,1176 4.901,1177 3.689,1178 3.618,1179 3.684,1180 3.485,1181 3.47,1182 4.868,1183 3.462,1184 3.355,1185 3.407,1186 3.27,1187 3.149,1188 4.557,1189 3.175,1190 3.199,1191 3.227,1192 3.135,1193 3.018,1194 4.211,1195 3.038,1196 3.092,1197 3.151,1198 2.961,1199 2.94,1200 4.078,1201 2.935,1202 2.899,1203 2.96,1204 2.782,1205 2.745,1206 3.89,1207 2.743,1208 0.146,1209 0.123,1210 0.219,1211 0.135,1212 0.104,1213 4.537,1214 0.132,1215 3.804,1216 0.041,1217 6.781,1218 0.358,1219 4.191,1220 0.101,1221 3.224,1222 4.094,1223 1.257,1224 11.091,1225 3.122,1226 1.965,1227 1.939,1228 2.044,1229 2.088,1230 1.324,1231 2.072,1232 1.88,1233 1.84,1234 2.032,1235 2.006,1236 1.128,1237 2.017,1238 1.755,1239 1.726,1240 1.882,1241 1.887,1242 1.005,1243 1.887,1244 1.616,1245 1.552,1246 1.824,1247 1.783,1248 0.929,1249 1.802,1250 1.28,1251 1.227,1252 1.521,1253 1.528,1254 0.686,1255 1.524,1256 1.128,1257 1.095,1258 1.27,1259 1.34,1260 0.335,1261 1.321,1262 1.07,1263 1.019,1264 1.261,1265 1.266,1266 0.297,1267 1.268,1268 0.881,1269 0.823,1270 1.141,1271 1.086,1272 0.247,1273 1.105,1274 4.143,1276 5.442,1278 6.954,1280 8.567,1282 10.238,1290 3.37,1291 2.916,1295 1.43,1300 31.73,1301 73.532,1302 180.515,1303 232.568,1304 258.078,1305 260.078,1306 260.078,1307 49.168,1308 7.705,1309 76.36,1310 76.36,1311 24,1312 12.511,1313 4.17,1314 3.585,1315 42.868,1316 127,1317 134,1318 0.16,1319 195.197,1320 350.46,1321 468.04,1322 26507,1324 19.347,1325 0.691,1326 0.548,1327 19.347,1328 15.337,1329 13.72,1330 0.443,1331 0.3,1332 9.201,1333 13.295,1334 9.04,1335 7.503,1336 13.72,1337 9.305,1338 11.92,1339 0.284,1340 0.158,1341 11.92,1342 6.654,1343 10.314,1344 0.184,1345 0.084,1346 10.314,1347 4.678,1348 8.471,1349 0.118,1350 0.044,1351 8.471,1352 3.19,1353 7.034,1354 0.075,1355 0.023,1356 7.034,1357 2.203,1358 0.26,1359 85.377,1360 0.217,1361 27.466,1362 0.413,1363 146,1364 426.739,1365 158.394,1366 416.938,1367 571.11,1368 390,1369 171,1370 420.766,1371 184.145,1372 427.101,1373 625.03,1374 403,1375 7.699} {0 CHEMBL60710,1 1.518,2 14.485,3 3.913,4 15.31,5 124.077,6 7.426,7 0.472,8 4.182,9 4.29,10 3.737,11 3.737,12 5.309,13 3.716,14 4.687,15 4.85,16 4.014,17 4.081,18 5.842,19 4.023,20 4.924,21 5.147,22 4.026,23 4.167,24 5.964,25 4.081,26 4.932,27 5.147,28 4.032,29 4.164,30 6.009,31 4.087,32 4.914,33 5.116,34 4.019,35 4.206,36 5.94,37 4.118,38 4.963,39 5.178,40 3.976,41 4.198,42 6.002,43 4.097,44 4.917,45 5.147,46 3.914,47 4.123,48 5.904,49 4.021,50 4.843,51 5.07,52 3.857,53 4.038,54 5.822,55 3.944,56 0.045,57 0.831,58 12.032,59 5.676,60 12.095,61 7.154,62 0.313,63 1.309,64 22.031,65 9.202,66 49.874,67 12.249,68 0.363,69 1.555,70 30.824,71 11.727,72 63.471,73 16.032,74 0.543,75 1.55,76 31.379,77 11.262,78 73.676,79 15.199,80 0.31,81 1.548,82 29.67,83 11.747,84 54.013,85 15.65,86 0.362,87 1.609,88 31.872,89 12.1,90 67.655,91 16.34,92 0.322,93 1.538,94 30.751,95 11.309,96 54.263,97 15.601,98 0.316,99 1.396,100 28.82,101 10.658,102 45.61,103 14.496,104 16,105 48,106 0.244,107 0.607,108 0.77,109 0.844,110 0.875,111 0.875,112 3.531,113 0.939,114 -4.3,115 -4.24,116 -4,118 43.3,120 6,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 18,169 1,171 1,172 5,175 2,177 2,180 17,181 1,185 1,186 7,189 1,191 3,194 17,195 1,197 1,198 8,201 1,203 1,206 16,207 1,210 10,215 2,218 15,219 1,222 11,227 3,229 12,230 1,234 11,239 3,242 9,243 2,247 8,252 3,255 8,256 3,258 2,259 8,260 1,264 4,267 7,268 3,270 2224,271 22.551,272 22.551,273 22.551,274 22.551,275 22.551,276 20.088,277 11.506,278 13.685,279 22.705,280 17.797,281 17.797,282 17.797,283 17.797,284 17.797,285 14.059,286 7.585,287 6.547,288 18.02,289 4.389,290 2.135,291 1.119,292 0.66,293 0.467,294 0.467,295 4.22,299 1,300 1,301 1026,302 4.359,303 76.096,305 111.844,306 256.618,313 2.318,314 33.854,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.76,325 71.5,326 478,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.564,338 6.249,339 3.928,340 2.944,341 3.89,342 1.058,343 9.414,344 2.89,345 3.958,346 3.043,347 5.908,348 3.679,349 2.685,350 3.45,352 8.194,353 2.666,354 3.672,355 2.831,356 5.488,357 3.558,358 2.557,359 3.062,361 7.372,362 2.556,363 3.614,364 2.661,365 5.239,366 3.24,367 2.235,368 2.71,370 6.367,371 2.222,372 3.55,373 2.262,374 4.659,375 3.193,376 2.204,377 2.667,379 5.184,380 2.178,381 3.256,382 2.034,383 4.534,384 2.783,385 1.796,386 2.505,388 4.637,389 1.769,390 2.98,391 1.891,392 4.161,393 2.623,394 1.628,395 2.126,397 3.831,398 1.614,399 2.756,400 1.533,401 3.913,402 2.435,403 1.459,404 1.795,406 3.155,407 1.42,408 2.502,409 1.307,410 3.634,411 2.105,412 1.133,413 1.5,415 2.958,416 1.099,417 2.5,418 1.299,419 3.414,420 2,421 1,422 1.5,424 2.341,425 1,426 2.5,427 1.169,428 3.392,429 1.988,430 1,431 1.472,433 2.275,434 0.985,435 2.377,436 1,437 3.277,438 1.955,439 1,440 1.281,442 2.136,443 0.953,444 2.165,445 1,446 3.247,447 1.694,448 0.715,449 1.008,451 1.71,452 0.697,453 1.841,454 0.753,455 3.12,456 1.545,457 0.553,458 0.679,460 1.323,461 0.544,462 15.533,463 0.471,464 0.661,465 0.02,466 41.25,467 1.25,468 20.5,469 0.621,470 20.75,471 0.629,472 27.834,473 0.843,474 35.467,475 0.591,476 32.271,477 0.978,478 7.922,479 0.24,480 8.176,481 0.248,482 0.064,484 0.29,487 0.762,488 1.21,489 0.792,490 1.062,491 0.635,492 0.952,493 0.596,494 1.177,495 0.928,496 1.136,497 0.458,498 1.096,499 0.784,500 0.986,501 0.87,502 0.964,503 0.825,504 0.94,505 1.001,506 0.887,507 0.975,508 0.873,509 0.984,510 0.907,511 0.925,512 1.031,513 1.016,514 1.04,515 0.899,516 1.044,517 0.97,518 1.081,519 1.07,520 1.064,521 0.983,522 1.083,523 0.881,524 1.034,525 1.015,526 1.04,527 0.759,528 1.041,529 0.966,530 1.018,531 0.969,532 1.008,533 0.724,534 0.992,535 5.5,536 0.203,537 3.611,538 1.535,539 1.108,540 0.893,541 0.518,542 0.351,543 0.353,544 0.285,545 17280,546 46862,547 2.097,548 45,549 10,550 9,551 1,552 2,553 2,554 2,555 1,558 1.752,559 2,560 3.782,561 0.162,563 1,567 91.065,568 1.518,569 3.772,570 4.788,571 5.247,572 5.44,573 5.44,574 3.238,575 4.537,576 5.006,577 4,578 2111.76,579 8.774,580 33497.8,582 1,585 354.413,586 1.241,587 4.992,588 0.153,589 0.006,590 0.08,591 0.034,592 0.025,593 0.02,594 0.012,595 0.009,596 0.01,597 0.007,598 0.356,599 0.17,600 0.88,601 1.385,602 178.792,603 -0.053,604 -0.06,605 0.032,606 0.007,607 -0.027,608 0.029,609 0.167,610 -0.088,611 -0.041,612 -0.111,613 0.175,614 -0.114,615 0.03,616 0.007,617 0.087,618 0.037,619 0.008,620 0.063,621 -0.009,622 0.122,623 0.002,624 0.108,625 -0.063,626 0.068,627 -0.097,628 -0.025,629 -0.08,630 -0.023,631 -0.116,632 -0.044,633 -0.112,634 -0.087,635 -0.116,636 -0.063,637 -0.104,638 -0.088,639 -0.072,640 -0.031,641 -0.054,642 -0.055,643 -0.058,644 -0.047,645 -0.069,646 -0.045,647 0.005,648 -0.015,649 -0.039,650 0.005,651 2.433,652 5.227,653 0.606,654 45.605,655 1.004,656 1.122,657 3.072,658 9.436,659 0.666,660 3.611,661 3.892,662 4.078,663 4.277,664 4.454,665 4.554,666 4.673,667 4.787,668 4.92,669 4.99,670 8.44,671 0.637,672 445.56,673 3.611,674 5.13,675 5.958,676 6.81,677 7.658,678 8.517,679 9.373,680 10.237,681 11.099,682 11.966,683 5,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 60,726 20,727 1,728 36,730 63,731 26,733 14,734 2,735 4,736 3,739 4,740 4,748 2,749 1,751 6,753 18,754 8,755 1,756 3,761 2,763 1,765 3,769 1,772 27,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,799 1,801 1,802 2,818 1,822 1,823 1,830 1,832 4,840 33,845 1,846 7,847 1,850 1,862 6.7,864 1,865 2,867 1,869 16.5,870 10.517,871 7.361,872 3.804,874 3.016,875 1.398,876 0.96,877 7.694,878 10.596,879 3.882,880 4.41,881 4.919,882 5.449,883 5.915,884 6.22,885 6.638,886 7.008,887 7.401,888 7.746,889 0.9,890 45,891 12.215,893 5.178,894 7.838,895 23.335,897 19.191,899 2.338,900 77.167,903 1,904 294.278,905 139.615,906 51.582,908 102.481,911 139.615,912 396.758,913 51.582,915 35.324,916 78.073,917 160.721,918 43.101,919 11.771,920 258.964,922 294.278,923 191.196,924 102.481,927 282.506,928 114.252,931 61.195,932 86.954,933 43.047,935 294.278,936 154.062,937 139.615,940 294.278,941 43.446,942 96.168,943 18.011,944 136.052,945 294.278,946 154.062,947 139.615,949 0.57,950 0.304,951 0.156,952 0.082,953 21,954 9,955 0.175,956 11,958 1,959 4.632,960 286.319,962 20,963 160.465,968 22.942,969 11.067,970 6.871,972 154.062,973 16.655,974 8.576,976 5.546,978 3.478,980 60.694,981 587.954,982 47.5,987 22.957,989 2.126,991 0.063,994 60.218,995 67.315,996 0.257,997 0.639,998 0.811,999 0.888,1000 0.921,1001 0.921,1002 5.095,1003 1.628,1004 5.911,1005 4.637,1006 4.575,1007 5.097,1008 2.468,1009 6.663,1010 4.551,1011 6.279,1012 1.459,1013 7.434,1014 3.831,1015 4.111,1016 4.758,1017 2.243,1018 7.526,1019 4.095,1020 7.562,1021 1.133,1022 9.061,1023 3.155,1024 6.125,1025 7.192,1026 3.693,1027 10.553,1028 6.082,1029 8.88,1030 1,1031 10.751,1032 2.958,1033 6.479,1034 7.688,1035 4.112,1036 12.254,1037 6.442,1038 10.229,1039 1,1040 12.481,1041 2.341,1042 7.951,1043 9.577,1044 5.217,1045 14.799,1046 7.892,1047 11.6,1048 1,1049 14.24,1050 2.275,1051 8.677,1052 10.475,1053 5.889,1054 16.832,1055 8.619,1056 12.99,1057 0.715,1058 16.018,1059 2.136,1060 9.926,1061 12.119,1062 6.852,1063 19.214,1064 9.85,1065 3.042,1066 0.553,1067 17.811,1068 1.71,1069 10.834,1070 13.233,1071 7.625,1072 21.39,1073 10.754,1074 2.944,1075 10.188,1076 19.615,1077 1.323,1078 11.987,1079 14.752,1080 8.526,1081 23.714,1082 11.892,1083 2.685,1084 9.414,1085 21.427,1086 4.063,1087 12.985,1088 15.986,1089 9.342,1090 25.954,1091 12.884,1092 2.557,1093 8.194,1094 23.246,1095 3.89,1096 14.096,1097 17.44,1098 10.216,1099 28.259,1100 13.984,1101 2.235,1102 7.372,1103 25.071,1104 3.45,1105 15.14,1106 18.74,1107 11.051,1108 30.53,1109 15.02,1110 2.204,1111 6.367,1112 26.901,1113 3.062,1114 16.236,1115 20.161,1116 11.912,1117 32.831,1118 16.105,1119 1.796,1120 5.184,1121 28.734,1122 2.71,1123 17.303,1124 21.498,1125 12.755,1126 35.118,1127 17.164,1128 16461,1129 27244,1130 24.444,1131 39.972,1132 53.882,1133 54.726,1134 53.843,1135 52.794,1136 52.818,1137 68.485,1138 6.798,1139 144.281,1140 52.145,1141 5.369,1142 5.596,1143 6.304,1144 5.084,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 14.091,1151 1.497,1152 1.52,1153 1.496,1154 1.467,1155 1.467,1156 1.902,1157 0.189,1158 4.008,1159 1.448,1160 4.046,1161 4.07,1162 4.004,1163 3.969,1164 7.474,1165 3.97,1166 3.919,1167 3.967,1168 3.853,1169 3.807,1170 7.429,1171 3.8,1172 3.873,1173 3.904,1174 3.774,1175 3.753,1176 6.351,1177 3.761,1178 3.731,1179 3.778,1180 3.658,1181 3.592,1182 5.149,1183 3.599,1184 3.709,1185 3.739,1186 3.596,1187 3.558,1188 4.915,1189 3.569,1190 3.457,1191 3.491,1192 3.36,1193 3.296,1194 4.661,1195 3.302,1196 3.292,1197 3.344,1198 3.209,1199 3.023,1200 4.334,1201 3.055,1202 3.126,1203 3.163,1204 3.013,1205 2.916,1206 4.229,1207 2.937,1208 0.123,1209 0.1,1210 0.181,1211 0.112,1212 0.085,1213 4.411,1214 0.113,1215 3.596,1216 0.065,1217 6.502,1218 0.283,1219 4.036,1220 0.084,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.079,1229 2.055,1230 1.327,1231 2.063,1232 1.798,1233 1.767,1234 1.955,1235 1.911,1236 1.163,1237 1.92,1238 1.717,1239 1.665,1240 1.901,1241 1.886,1242 1.075,1243 1.899,1244 1.585,1245 1.544,1246 1.76,1247 1.821,1248 0.963,1249 1.798,1250 1.432,1251 1.396,1252 1.644,1253 1.632,1254 0.835,1255 1.628,1256 1.341,1257 1.295,1258 1.513,1259 1.535,1260 0.825,1261 1.528,1262 1.184,1263 1.163,1264 1.497,1265 1.438,1266 0.547,1267 1.429,1268 1.153,1269 1.064,1270 1.341,1271 1.376,1272 0.48,1273 1.392,1274 4.29,1275 1.946,1276 5.58,1277 3.932,1278 7.05,1279 5.778,1280 8.602,1281 7.567,1282 10.199,1289 8.822,1290 5.445,1291 2.895,1294 0.604,1300 38.245,1301 91.065,1302 226.326,1303 287.294,1304 314.804,1305 326.413,1306 326.413,1307 66.207,1308 7.58,1309 105.32,1310 105.32,1311 20,1312 12.513,1313 4.392,1314 3.644,1315 54.427,1316 164,1317 170,1318 0.157,1319 234.764,1320 415.34,1321 564.585,1322 20727,1324 23.045,1325 0.698,1326 0.557,1327 23.045,1328 18.367,1329 16.097,1330 0.447,1331 0.313,1332 11.143,1333 15.559,1334 10.951,1335 9.078,1336 16.097,1337 11.268,1338 14.1,1339 0.294,1340 0.172,1341 14.1,1342 8.268,1343 10.92,1344 0.188,1345 0.091,1346 10.92,1347 5.305,1348 8.593,1349 0.121,1350 0.048,1351 8.593,1352 3.426,1353 6.657,1354 0.078,1355 0.026,1356 6.657,1357 2.226,1358 0.253,1359 100.587,1360 0.202,1361 31.436,1362 0.412,1363 168,1364 506.979,1365 183.458,1366 486.977,1367 654.98,1368 454,1369 193,1370 471.286,1371 207.438,1372 475.743,1373 690.06,1374 448,1375 7.602} {0 CHEMBL60930,1 1.429,2 16.5,3 4.735,4 22.422,5 135.657,6 6.919,7 0.324,8 4.254,9 4.382,10 3.758,11 3.819,12 5.297,13 3.775,14 4.808,15 4.998,16 4.093,17 4.216,18 5.802,19 4.14,20 5.101,21 5.335,22 4.182,23 4.362,24 6.078,25 4.262,26 5.157,27 5.408,28 4.086,29 4.315,30 6.165,31 4.198,32 5.07,33 5.323,34 3.986,35 4.237,36 6.011,37 4.114,38 5.006,39 5.255,40 3.946,41 4.148,42 6.105,43 4.031,44 4.936,45 5.189,46 3.773,47 4.067,48 5.903,49 3.946,50 4.823,51 5.066,52 3.705,53 4.014,54 5.759,55 3.883,56 0.042,57 0.946,58 14.322,59 6.2,60 8.943,61 8.56,62 0.261,63 1.544,64 26.536,65 10.508,66 25.285,67 14.923,68 0.228,69 1.922,70 36.926,71 13.931,72 43.719,73 20.004,74 0.512,75 1.933,76 40.455,77 14.105,78 72.524,79 20.224,80 0.308,81 1.757,82 36.784,83 13.415,84 52.796,85 19.141,86 0.55,87 1.659,88 34.899,89 11.997,90 91.387,91 17.268,92 0.421,93 1.548,94 32.781,95 10.557,96 61.733,97 15.223,98 0.263,99 1.396,100 28.52,101 10.348,102 42.95,103 14.746,104 18,105 50,106 0.226,107 0.571,108 0.767,109 0.853,110 0.881,111 0.881,112 3.56,113 0.986,114 -5.05,115 -4.95,116 -4.64,118 42.4,119 2,120 6,121 1,124 1,133 2,134 1,135 1,140 5,141 3,142 1,143 2,154 3,168 17,171 2,172 10,175 1,177 2,180 17,186 9,191 2,194 14,197 2,198 11,201 1,203 2,206 13,210 8,215 1,218 11,221 2,222 10,225 2,227 2,229 11,234 4,239 2,242 9,247 7,252 3,255 10,259 6,264 3,267 7,270 2432,271 23.104,272 23.104,273 23.104,274 23.104,275 23.104,276 20.974,277 26.843,278 13.996,279 23.337,280 18.278,281 18.278,282 18.278,283 18.278,284 18.278,285 14.802,286 27.358,287 6.711,288 18.626,289 4.615,290 2.435,291 1.198,292 0.652,293 0.477,294 0.477,295 4.258,300 1,301 1214,302 4.243,306 397.406,310 291.622,313 2.588,314 30.579,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 72,326 561,327 4.557,328 3.807,329 6.792,330 4.211,331 3.24,332 4.147,333 1.257,334 11.139,335 3.149,336 4.197,337 3.548,338 6.155,339 3.833,340 2.839,341 3.632,342 1.058,343 9.033,344 2.82,345 3.922,346 3.003,347 5.939,348 3.641,349 2.644,350 3.444,351 0.78,352 8.244,353 2.63,354 3.896,355 2.908,356 5.763,357 3.512,358 2.522,359 3.242,360 0.219,361 7.575,362 2.498,363 3.608,364 2.718,365 5.34,366 3.294,367 2.321,368 2.847,370 6.965,371 2.248,372 3.488,373 2.562,374 5.282,375 3.066,376 2.086,377 2.701,379 6.342,380 2.033,381 2.996,382 1.96,383 4.259,384 2.864,385 1.872,386 2.121,388 4.064,389 1.856,390 2.956,391 1.891,392 4.15,393 2.601,394 1.628,395 1.988,397 3.616,398 1.581,399 2.791,400 1.673,401 3.859,402 2.439,403 1.465,404 1.785,406 3.427,407 1.423,408 2.73,409 1.539,410 3.82,411 2.259,412 1.271,413 1.731,415 3.166,416 1.255,417 2.5,418 1.478,419 3.643,420 2.243,421 1.251,422 1.5,424 2.948,425 1.238,426 2.487,427 1.311,428 3.535,429 2.185,430 1.189,431 1.454,433 2.621,434 1.18,435 2.411,436 1.251,437 3.396,438 1.956,439 1,440 1.375,442 2.136,443 0.954,444 2.39,445 1.024,446 3.247,447 1.8,448 0.792,449 1.164,451 1.936,452 0.792,453 1.909,454 1,455 3.044,456 1.756,457 0.746,458 0.839,460 1.617,461 0.75,462 16.267,463 0.478,464 0.733,465 0.022,466 41.25,467 1.213,468 20,469 0.588,470 21.25,471 0.625,472 32.269,473 0.949,474 36.533,475 0.554,476 31.099,477 0.915,478 7.541,479 0.222,480 8.984,481 0.264,482 0.102,484 0.301,487 0.67,488 1.323,489 0.85,490 1.117,491 0.541,492 1.019,493 0.601,494 1.13,495 0.899,496 1.055,497 0.523,498 1.015,499 0.829,500 1.142,501 0.875,502 1.051,503 0.744,504 0.979,505 1.163,506 0.921,507 0.996,508 0.941,509 1.243,510 0.948,511 1.094,512 1.014,513 0.943,514 0.996,515 1.172,516 0.962,517 1.073,518 0.994,519 1,520 0.987,521 1.11,522 0.986,523 1.676,524 0.883,525 1.199,526 0.89,527 1.615,528 0.968,529 1.203,530 1.053,531 1.119,532 1.075,533 1.233,534 1.086,535 5.5,536 0.132,537 3.556,538 1.75,539 1.933,540 1.104,541 0.606,542 0.432,543 0.28,544 0.229,545 20471,546 46346,547 2.077,548 48.5,549 17,550 9,551 1,552 2,553 1,555 2,558 1.751,559 1.962,560 3.955,561 -0.421,567 94.324,568 1.429,569 3.61,570 4.846,571 5.393,572 5.567,573 5.567,574 3.425,575 4.617,576 5.053,577 4.179,578 2344.41,579 8.816,580 39494.3,585 398.93,586 1.333,587 5.026,588 0.149,589 0.005,590 0.071,591 0.033,592 0.042,593 0.026,594 0.016,595 0.013,596 0.009,597 0.008,598 0.372,599 0.17,600 1,601 0.662,602 188.725,603 -0.002,604 -0.135,605 0.051,606 -0.031,607 -0.006,608 0.007,609 0.17,610 -0.02,611 0.039,612 -0.025,613 0.089,614 -0.013,615 0.033,616 -0.129,617 0.091,618 -0.047,619 0.078,620 0.018,621 0.034,622 0.064,623 0.012,624 0.024,625 -0.008,626 0.017,627 -0.03,628 -0.057,629 0.05,630 -0.009,631 -0.037,632 0.025,633 0.191,634 -0.01,635 0.015,636 -0.026,637 0.201,638 -0.026,639 -0.272,640 0.124,641 -0.168,642 0.045,643 -0.205,644 -0.031,645 -0.128,646 -0.064,647 -0.131,648 -0.09,649 -0.121,650 -0.107,651 1.832,652 6.102,653 0.588,654 49.682,655 0.991,656 1.125,657 3.824,658 14.626,659 0.66,660 3.638,661 3.932,662 4.19,663 4.419,664 4.7,665 4.804,666 4.934,667 5.075,668 5.209,669 5.193,670 9.538,671 0.62,672 456.64,673 3.638,674 5.165,675 6.004,676 6.866,677 7.729,678 8.603,679 9.479,680 10.364,681 11.249,682 12.141,683 6.1,690 2,692 1,693 1,699 7,700 1,704 4,706 12,713 1,724 66,726 17,727 1,728 37,730 69,731 28,733 11,734 3,735 3,736 7,739 4,740 7,745 2,751 6,753 18,754 10,755 1,756 5,761 2,763 3,764 1,765 4,772 32,773 6,774 1,775 6,779 4,781 1,784 0.5,785 2,795 1,802 4,806 2,816 1,822 2,823 1,832 2,836 2,840 34,846 7,847 1,850 1,851 1,862 3,865 2,869 17.333,870 12.35,871 7.583,872 4.428,874 3.14,875 1.388,876 0.973,877 7.951,878 11.238,879 3.892,880 4.407,881 4.956,882 5.466,883 6.019,884 6.294,885 6.667,886 7.041,887 7.448,888 7.681,889 0.909,890 53,891 12.653,893 5.344,894 7.667,895 24.514,897 20.156,899 2.167,900 73.667,904 364.904,905 155.676,906 54.706,908 50.29,911 155.676,912 415.194,913 54.706,914 17.65,915 47.495,916 66.334,917 102.355,918 50.379,919 11.771,920 329.591,922 364.904,923 210.382,924 50.29,927 341.362,928 73.832,931 90.979,932 83.665,933 35.738,935 364.904,936 104.996,937 155.676,940 364.904,941 44.549,942 114.251,943 18.011,944 83.861,945 364.904,946 104.996,947 155.676,949 0.573,950 0.33,951 0.17,952 0.096,953 22,954 10,955 0.145,956 10,957 2,958 1.2,959 4.694,960 297.58,961 0.2,962 20,963 170.974,968 23.946,969 11.289,970 6.04,972 104.996,973 13.637,974 4.148,978 3.627,980 18.011,981 625.576,982 48,987 25.747,989 5.054,990 4.597,991 0.69,994 65.432,995 74.225,996 0.236,997 0.597,998 0.802,999 0.892,1000 0.921,1001 0.921,1002 5.124,1003 1.628,1004 5.969,1005 4.064,1006 4.615,1007 5.094,1008 2.023,1009 6.753,1010 4.579,1011 6.302,1012 1.465,1013 7.512,1014 3.616,1015 4.111,1016 4.745,1017 0.325,1018 7.618,1019 4.071,1020 7.588,1021 1.271,1022 9.16,1023 3.427,1024 6.176,1025 7.178,1026 2.145,1027 10.735,1028 6.101,1029 8.91,1030 1.251,1031 10.873,1032 3.166,1033 6.524,1034 7.667,1035 0.766,1036 12.454,1037 6.442,1038 10.268,1039 1.189,1040 12.628,1041 2.948,1042 8.032,1043 9.555,1044 2.343,1045 15.09,1046 7.917,1047 11.651,1048 1,1049 14.411,1050 2.621,1051 8.788,1052 10.45,1053 1.259,1054 17.17,1055 8.659,1056 13.053,1057 0.792,1058 16.215,1059 2.136,1060 10.068,1061 12.093,1062 2.593,1063 19.646,1064 9.908,1065 3.24,1066 0.746,1067 18.033,1068 1.936,1069 11.026,1070 13.207,1071 1.765,1072 21.895,1073 10.845,1074 2.839,1075 11.139,1076 19.864,1077 1.617,1078 12.216,1079 14.729,1080 2.884,1081 24.317,1082 12.005,1083 2.644,1084 9.033,1085 21.705,1086 4.147,1087 13.274,1088 15.968,1089 2.27,1090 26.645,1091 13.036,1092 2.522,1093 8.244,1094 23.554,1095 3.632,1096 14.433,1097 17.43,1098 3.21,1099 29.052,1100 14.164,1101 2.321,1102 7.575,1103 25.41,1104 3.444,1105 15.541,1106 18.741,1107 2.771,1108 31.42,1109 15.242,1110 2.086,1111 6.965,1112 27.272,1113 3.242,1114 16.692,1115 20.174,1116 3.563,1117 33.823,1118 16.362,1119 1.872,1120 6.342,1121 29.14,1122 2.847,1123 17.826,1124 21.528,1125 3.266,1126 36.21,1127 17.465,1128 19370,1129 29373,1130 24.849,1131 43.591,1132 55.617,1133 56.852,1134 55.789,1135 54.377,1136 54.348,1137 68.67,1138 6.628,1139 151.082,1140 53.425,1141 5.517,1142 5.807,1143 6.682,1144 5.284,1145 5.24,1146 7.147,1147 2.38,1148 18.678,1149 5.149,1150 15.934,1151 1.503,1152 1.537,1153 1.508,1154 1.47,1155 1.469,1156 1.856,1157 0.179,1158 4.083,1159 1.444,1160 4.053,1161 4.083,1162 4.018,1163 3.96,1164 7.431,1165 3.968,1166 3.906,1167 3.951,1168 3.827,1169 3.81,1170 7.425,1171 3.808,1172 3.82,1173 3.858,1174 3.757,1175 3.718,1176 4.901,1177 3.724,1178 3.727,1179 3.788,1180 3.584,1181 3.601,1182 4.862,1183 3.587,1184 3.562,1185 3.624,1186 3.445,1187 3.409,1188 4.552,1189 3.406,1190 3.473,1191 3.541,1192 3.312,1193 3.331,1194 4.253,1195 3.316,1196 3.286,1197 3.348,1198 3.156,1199 3.092,1200 4.171,1201 3.104,1202 3.182,1203 3.207,1204 3.119,1205 2.994,1206 4.05,1207 3.016,1208 0.123,1209 0.103,1210 0.184,1211 0.114,1212 0.088,1213 4.557,1214 0.112,1215 3.807,1216 0.034,1217 6.792,1218 0.301,1219 4.211,1220 0.085,1221 3.24,1222 4.147,1223 1.257,1224 11.139,1225 3.149,1226 1.99,1227 1.966,1228 2.081,1229 2.101,1230 1.401,1231 2.091,1232 1.885,1233 1.844,1234 2.063,1235 2.012,1236 1.268,1237 2.029,1238 1.797,1239 1.762,1240 1.962,1241 1.941,1242 1.202,1243 1.949,1244 1.733,1245 1.676,1246 1.907,1247 1.883,1248 1.028,1249 1.9,1250 1.545,1251 1.487,1252 1.781,1253 1.742,1254 0.958,1255 1.756,1256 1.49,1257 1.422,1258 1.739,1259 1.659,1260 0.869,1261 1.691,1262 1.243,1263 1.181,1264 1.517,1265 1.481,1266 0.72,1267 1.493,1268 1.101,1269 1.071,1270 1.417,1271 1.322,1272 0.469,1273 1.308,1274 4.317,1276 5.617,1278 7.117,1280 8.719,1282 10.38,1284 4.191,1290 7.2,1291 2.978,1294 0.322,1295 1.476,1300 40.89,1301 94.324,1302 238.253,1303 319.836,1304 355.91,1305 367.42,1306 367.42,1307 71.032,1308 8.098,1309 76.36,1310 76.36,1311 24,1312 12.671,1313 4.17,1314 3.585,1315 57.609,1316 192,1317 212,1318 0.14,1319 252.751,1320 454.26,1321 608.472,1322 45173,1324 23.916,1325 0.703,1326 0.587,1327 23.916,1328 19.959,1329 16.525,1330 0.447,1331 0.329,1332 12.055,1333 16.1,1334 11.724,1335 9.823,1336 16.525,1337 12.159,1338 14.513,1339 0.29,1340 0.183,1341 14.513,1342 9.129,1343 12.128,1344 0.187,1345 0.096,1346 12.128,1347 6.211,1348 9.624,1349 0.117,1350 0.051,1351 9.624,1352 4.15,1353 8.036,1354 0.074,1355 0.027,1356 8.036,1357 2.902,1358 0.232,1359 102.204,1360 0.201,1361 32.687,1362 0.351,1363 174,1364 456.739,1365 186.394,1366 448.933,1367 617.26,1368 420,1369 202,1370 456.766,1371 215.145,1372 465.849,1373 680.66,1374 439,1375 6.699} {0 CHEMBL61306,1 1.415,2 18.95,3 7.039,4 49.543,5 156.361,6 6.713,7 0.395,8 4.45,9 4.574,10 3.915,11 3.994,12 5.476,13 3.947,14 5.018,15 5.203,16 4.216,17 4.393,18 6.03,19 4.3,20 5.334,21 5.59,22 4.224,23 4.525,24 6.201,25 4.386,26 5.349,27 5.609,28 4.201,29 4.5,30 6.238,31 4.361,32 5.303,33 5.559,34 4.164,35 4.49,36 6.159,37 4.351,38 5.296,39 5.55,40 4.146,41 4.463,42 6.182,43 4.323,44 5.256,45 5.513,46 4.111,47 4.385,48 6.184,49 4.26,50 5.162,51 5.408,52 4.098,53 4.327,54 6.086,55 4.216,56 0.062,57 1.107,58 18.361,59 8.117,60 11.981,61 10.951,62 0.363,63 1.813,64 33.703,65 13.741,66 51.427,67 19.22,68 0.43,69 2.263,70 47.704,71 18.267,72 66.457,73 26.134,74 0.596,75 2.25,76 49.068,77 17.902,78 76.959,79 25.77,80 0.409,81 2.189,82 46.406,83 17.401,84 61.451,85 24.95,86 0.391,87 2.176,88 46.105,89 16.97,90 64.648,91 24.486,92 0.462,93 2.069,94 44.882,95 15.405,96 75.025,97 22.393,98 0.397,99 1.906,100 40.662,101 14.14,102 56.515,103 20.375,104 17,105 55,106 0.215,107 0.513,108 0.672,109 0.8,110 0.863,111 0.874,112 3.717,113 1.03,114 -5.65,115 -5.52,116 -5.15,118 40.7,120 13,121 1,124 1,133 1,134 1,140 6,141 3,143 2,144 1,149 1,154 2,157 1,163 1,167 1,168 25,169 1,171 1,172 5,175 2,177 2,180 28,181 1,185 1,186 7,189 1,191 2,194 26,195 1,197 1,198 8,201 1,203 2,206 22,207 1,210 9,215 3,218 19,219 1,222 11,227 5,229 14,230 1,234 12,239 5,242 11,243 1,247 11,252 3,255 10,256 2,258 2,259 13,264 3,267 9,268 3,270 3962,271 27.501,272 27.501,273 27.501,274 27.501,275 27.501,276 25.038,277 11.506,278 17.158,279 27.663,280 21.297,281 21.297,282 21.297,283 21.297,284 21.297,285 17.559,286 7.585,287 8.246,288 21.531,289 4.924,290 2.968,291 1.921,292 1.075,293 0.661,294 0.593,295 4.414,301 1603,302 4.796,305 139.848,306 498.727,313 3.105,314 35.481,317 0.5,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.7,325 85.5,326 758,327 4.411,328 3.596,329 6.502,330 4.036,331 3.042,332 4.063,333 2.341,334 10.188,335 3.026,336 4.307,337 3.562,338 6.248,339 3.925,340 2.941,341 3.89,342 1.058,343 9.413,344 2.888,345 3.954,346 3.043,347 5.905,348 3.599,349 2.6,350 3.449,352 8.178,353 2.59,354 3.639,355 2.829,356 5.34,357 3.521,358 2.521,359 3.06,361 6.965,362 2.521,363 3.55,364 2.522,365 5.239,366 3.241,367 2.236,368 2.71,370 6.368,371 2.223,372 3.522,373 2.263,374 4.659,375 3.197,376 2.209,377 2.535,379 5.184,380 2.18,381 3.269,382 2.041,383 4.542,384 2.832,385 1.85,386 2.518,388 4.678,389 1.816,390 2.999,391 1.911,392 4.172,393 2.744,394 1.752,395 2.144,397 3.897,398 1.734,399 2.789,400 1.8,401 3.959,402 2.63,403 1.632,404 1.83,406 3.503,407 1.625,408 2.709,409 1.591,410 3.72,411 2.482,412 1.501,413 1.719,415 3.279,416 1.47,417 2.559,418 1.499,419 3.701,420 2.376,421 1.38,422 1.534,424 3.085,425 1.372,426 2.5,427 1.409,428 3.48,429 2.187,430 1.194,431 1.5,433 2.659,434 1.181,435 2.5,436 1.18,437 3.449,438 2.013,439 1.031,440 1.5,442 2.538,443 1.008,444 2.472,445 1.03,446 3.414,447 2,448 1,449 1.444,451 2.275,452 1,453 2.358,454 1,455 3.267,456 2,457 1,458 1.285,460 2.136,461 1,462 19.033,463 0.476,464 0.661,465 0.017,466 44.75,467 1.119,468 20.5,469 0.513,470 24.25,471 0.606,472 41.907,473 1.048,474 44.567,475 0.55,476 35.079,477 0.877,478 7.932,479 0.198,480 11.666,481 0.292,482 0.053,484 0.236,487 0.757,488 1.269,489 0.899,490 1.153,491 0.622,492 1.06,493 0.568,494 1.219,495 0.99,496 1.194,497 0.427,498 1.154,499 0.684,500 0.984,501 0.891,502 0.993,503 0.697,504 0.975,505 0.821,506 0.943,507 0.921,508 0.935,509 0.804,510 0.94,511 0.847,512 0.974,513 0.952,514 0.965,515 0.788,516 0.971,517 0.863,518 1.067,519 0.982,520 1.032,521 0.841,522 1.023,523 1.1,524 1.003,525 1.004,526 0.948,527 1.025,528 0.955,529 1.111,530 1.018,531 0.987,532 0.963,533 0.956,534 0.952,535 5.5,536 0.286,537 3.556,538 1.625,539 1.224,540 0.872,541 0.605,542 0.435,543 0.35,544 0.32,545 31376,546 70950,547 2.08,548 50.6,549 23,550 9,551 1,552 2,553 2,554 2,555 2,558 1.796,559 2,560 4.143,561 0.075,567 114.648,568 1.415,569 3.372,570 4.419,571 5.265,572 5.679,573 5.747,574 3.659,575 4.753,576 5.283,577 4.377,578 3414.01,579 9.31,580 66111.1,585 513.528,586 1.125,587 5.277,588 0.128,589 0.006,590 0.065,591 0.03,592 0.024,593 0.017,594 0.012,595 0.009,596 0.007,597 0.007,598 0.305,599 0.17,600 0.63,601 1.345,602 233.814,603 -0.028,604 -0.051,605 0.036,606 0.004,607 0.006,608 0.024,609 0.171,610 -0.097,611 -0.045,612 -0.112,613 0.187,614 -0.109,615 0.054,616 0.007,617 0.066,618 0.018,619 0.053,620 0.037,621 0.063,622 0.036,623 0.056,624 0.054,625 0.024,626 0.054,627 -0.049,628 0.02,629 0.012,630 0.039,631 -0.049,632 0.034,633 -0.042,634 -0.067,635 -0.014,636 -0.035,637 -0.042,638 -0.023,639 -0.091,640 0.003,641 -0.008,642 0.017,643 -0.061,644 0.017,645 -0.081,646 0.004,647 0.009,648 0.014,649 -0.076,650 0.025,651 2.412,652 5.578,653 0.575,654 71.808,655 0.993,656 1.126,657 4.423,658 19.562,659 0.646,660 3.784,661 4.025,662 4.234,663 4.431,664 4.595,665 4.635,666 4.754,667 4.86,668 4.977,669 5.081,670 10.769,671 0.604,672 543.77,673 3.784,674 5.283,675 6.094,676 6.927,677 7.757,678 8.6,679 9.441,680 10.291,681 11.14,682 11.995,683 3.7,690 1,693 2,699 9,700 2,702 1,704 5,706 17,712 1,724 81,726 20,727 1,728 43,730 84,731 33,733 14,734 2,735 4,736 3,739 4,740 4,748 5,749 1,751 13,753 18,754 15,755 1,756 3,761 2,763 1,765 3,772 41,773 7,774 2,775 7,779 3,784 1,785 4,789 1,795 1,801 1,802 3,818 1,822 1,823 1,830 1,832 4,840 40,845 1,846 14,847 1,850 1,862 4.9,864 1,865 2,867 1,869 20,870 14.017,871 9.111,872 5.554,874 3.012,875 1.373,876 0.945,877 11.995,878 11.078,879 4.016,880 4.491,881 4.99,882 5.499,883 5.946,884 6.232,885 6.644,886 7.009,887 7.389,888 7.743,889 0.923,890 54,891 14.87,893 6.18,894 7.692,895 29.051,897 23.857,899 2.192,900 87.667,904 459.073,905 157.356,906 51.582,908 102.481,911 157.356,912 561.554,913 51.582,915 53.065,916 78.073,917 160.721,918 43.101,919 11.771,920 423.76,922 459.073,923 208.938,924 102.481,927 435.531,928 126.023,931 78.937,932 86.954,933 43.047,935 459.073,936 154.062,937 157.356,940 459.073,941 61.188,942 96.168,943 18.011,944 136.052,945 459.073,946 154.062,947 157.356,949 0.557,950 0.309,951 0.163,952 0.086,953 21,954 9,955 0.179,956 15,958 1,959 5.296,960 357.156,962 23,963 204.877,968 29.742,969 16.132,970 9.73,972 154.062,973 16.918,974 8.707,976 5.645,978 3.577,980 60.694,981 770.492,982 54.5,987 23.313,989 2.19,991 0.133,994 80.403,995 91.221,996 0.223,997 0.532,998 0.697,999 0.83,1000 0.896,1001 0.907,1002 5.216,1003 1.752,1004 6.019,1005 4.678,1006 4.71,1007 5.179,1008 2.468,1009 6.732,1010 4.689,1011 6.357,1012 1.632,1013 7.51,1014 3.897,1015 4.007,1016 4.705,1017 2.243,1018 7.466,1019 3.99,1020 7.613,1021 1.501,1022 9.108,1023 3.503,1024 6.196,1025 7.218,1026 3.693,1027 10.559,1028 6.158,1029 8.908,1030 1.38,1031 10.775,1032 3.279,1033 6.399,1034 7.664,1035 4.112,1036 12.22,1037 6.361,1038 10.242,1039 1.194,1040 12.49,1041 3.085,1042 7.969,1043 9.58,1044 5.217,1045 14.785,1046 7.913,1047 11.602,1048 1.031,1049 14.237,1050 2.659,1051 8.611,1052 10.465,1053 5.889,1054 16.81,1055 8.552,1056 12.984,1057 1,1058 16.009,1059 2.538,1060 9.909,1061 12.117,1062 6.852,1063 19.199,1064 9.836,1065 3.042,1066 1,1067 17.798,1068 2.275,1069 10.775,1070 13.228,1071 7.625,1072 21.375,1073 10.695,1074 2.941,1075 10.188,1076 19.599,1077 2.136,1078 11.951,1079 14.75,1080 8.526,1081 23.702,1082 11.86,1083 2.6,1084 9.413,1085 21.411,1086 4.063,1087 12.93,1088 15.983,1089 9.342,1090 25.944,1091 12.831,1092 2.521,1093 8.178,1094 23.23,1095 3.89,1096 14.054,1097 17.438,1098 10.216,1099 28.251,1100 13.944,1101 2.236,1102 6.965,1103 25.055,1104 3.449,1105 15.09,1106 18.738,1107 11.051,1108 30.523,1109 14.97,1110 2.209,1111 6.368,1112 26.885,1113 3.06,1114 16.192,1115 20.16,1116 11.912,1117 32.825,1118 16.063,1119 1.85,1120 5.184,1121 28.719,1122 2.71,1123 17.257,1124 21.498,1125 12.755,1126 35.113,1127 17.119,1128 30099,1129 45624,1130 29.296,1131 52.302,1132 62.674,1133 63.798,1134 62.927,1135 61.958,1136 61.961,1137 77.617,1138 6.798,1139 162.633,1140 61.289,1141 5.411,1142 5.596,1143 6.326,1144 5.072,1145 5.042,1146 7.063,1147 3.925,1148 16.953,1149 5.026,1150 16.141,1151 1.458,1152 1.484,1153 1.463,1154 1.441,1155 1.441,1156 1.805,1157 0.158,1158 3.782,1159 1.425,1160 4.048,1161 4.073,1162 4.004,1163 3.971,1164 7.474,1165 3.972,1166 3.903,1167 3.957,1168 3.849,1169 3.802,1170 7.429,1171 3.785,1172 3.889,1173 3.916,1174 3.76,1175 3.757,1176 6.351,1177 3.771,1178 3.748,1179 3.8,1180 3.675,1181 3.616,1182 5.149,1183 3.616,1184 3.739,1185 3.781,1186 3.614,1187 3.592,1188 4.916,1189 3.601,1190 3.621,1191 3.68,1192 3.475,1193 3.47,1194 4.661,1195 3.46,1196 3.515,1197 3.555,1198 3.398,1199 3.358,1200 4.31,1201 3.359,1202 3.337,1203 3.403,1204 3.213,1205 3.131,1206 4.237,1207 3.135,1208 0.103,1209 0.084,1210 0.151,1211 0.094,1212 0.071,1213 4.411,1214 0.094,1215 3.596,1216 0.054,1217 6.502,1218 0.237,1219 4.036,1220 0.07,1221 3.042,1222 4.063,1223 2.341,1224 10.188,1225 3.026,1226 1.981,1227 1.96,1228 2.132,1229 2.055,1230 1.536,1231 2.079,1232 1.91,1233 1.857,1234 2.082,1235 2.047,1236 1.359,1237 2.064,1238 1.8,1239 1.767,1240 1.983,1241 1.92,1242 1.261,1243 1.941,1244 1.745,1245 1.692,1246 1.925,1247 1.902,1248 1.184,1249 1.907,1250 1.676,1251 1.615,1252 1.905,1253 1.88,1254 1.003,1255 1.892,1256 1.503,1257 1.459,1258 1.73,1259 1.695,1260 0.93,1261 1.702,1262 1.481,1263 1.448,1264 1.647,1265 1.687,1266 0.923,1267 1.676,1268 1.255,1269 1.223,1270 1.513,1271 1.492,1272 0.825,1273 1.491,1274 4.466,1276 5.727,1277 2.398,1278 7.169,1279 4.595,1280 8.696,1281 6.605,1282 10.27,1289 8.829,1290 14.501,1291 2.978,1294 0.875,1300 48.933,1301 114.648,1302 273.109,1303 357.936,1304 426.434,1305 460.018,1306 465.528,1307 92.562,1308 8.065,1309 105.32,1310 105.32,1311 23,1312 12.551,1313 4.392,1314 3.644,1315 73.621,1316 256,1317 276,1318 0.135,1319 301.911,1320 536.44,1321 728.422,1322 43827,1324 27.995,1325 0.7,1326 0.583,1327 27.995,1328 23.317,1329 19.597,1330 0.456,1331 0.343,1332 14.643,1333 19.055,1334 14.384,1335 11.988,1336 19.597,1337 14.768,1338 16.575,1339 0.301,1340 0.195,1341 16.575,1342 10.724,1343 13.228,1344 0.195,1345 0.112,1346 13.228,1347 7.645,1348 10.535,1349 0.127,1350 0.065,1351 10.535,1352 5.397,1353 8.135,1354 0.083,1355 0.038,1356 8.135,1357 3.767,1358 0.223,1359 121.587,1360 0.185,1361 37.347,1362 0.341,1363 196,1364 534.979,1365 211.458,1366 516.022,1367 695.26,1368 482,1369 221,1370 499.286,1371 235.272,1372 504.653,1373 729.91,1374 476,1375 7.42} {0 CHEMBL62811,1 1.468,2 7.529,3 1.644,4 2.701,5 65.384,6 7.734,7 0.632,8 3.479,9 3.589,10 3.092,11 3.108,12 4.608,13 3.084,14 3.977,15 4.124,16 3.427,17 3.497,18 5.081,19 3.446,20 4.235,21 4.427,22 3.425,23 3.599,24 5.289,25 3.518,26 4.18,27 4.399,28 3.197,29 3.467,30 5.197,31 3.354,32 4.036,33 4.28,34 3.025,35 3.281,36 5.018,37 3.161,38 3.794,39 4.023,40 2.781,41 3.03,42 4.772,43 2.913,44 3.624,45 3.89,46 2.545,47 2.776,48 4.538,49 2.652,50 3.393,51 3.675,52 2.229,53 2.418,54 4.429,55 2.303,56 0.012,57 0.405,58 5.249,59 2.508,60 4.082,61 3.184,62 0.082,63 0.658,64 9.541,65 4.281,66 11.85,67 5.608,68 0.12,69 0.819,70 14.003,71 5.705,72 23.901,73 7.399,74 0.116,75 0.764,76 13.857,77 5.542,78 22.907,79 7.381,80 0.086,81 0.647,82 12.585,83 5.054,84 19.896,85 6.94,86 0.076,87 0.512,88 9.633,89 3.799,90 17.114,91 5.109,92 0.094,93 0.454,94 8.505,95 3.02,96 12.119,97 4.269,98 0.068,99 0.342,100 7.1,101 2.337,102 12.742,103 3.275,104 2,105 26,106 0.28,107 0.628,108 0.771,109 0.886,110 0.899,111 0.899,112 2.909,113 0.894,114 -3.11,115 -3.11,116 -2.99,118 48.3,120 2,140 5,141 3,142 1,143 2,154 1,168 9,172 3,175 1,177 3,180 10,186 3,191 3,194 10,198 4,203 1,206 8,210 4,215 1,218 5,222 2,227 1,229 2,234 2,237 1,239 1,242 1,247 1,258 1,259 1,270 262,271 11.723,272 11.723,273 11.723,274 11.723,275 11.723,276 10.156,277 8.291,278 7.043,279 11.814,280 9.409,281 9.409,282 9.409,283 9.409,284 9.409,285 7.03,286 9.481,287 3.384,288 9.536,289 3.39,290 1.561,291 0.814,292 0.207,293 0.138,294 0.138,295 3.592,299 1,300 1,301 281,302 1.581,306 120.267,310 62.864,313 1.322,314 11.886,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 36,326 128,327 4.368,328 3.618,329 6.298,330 4.003,331 3.012,332 4.034,333 1.907,334 9.61,335 2.984,336 4.025,337 3.023,338 6.007,339 3.685,340 2.695,341 3.529,342 0.149,343 8.611,344 2.664,345 3.534,346 2.677,347 4.965,348 3.157,349 2.137,350 2.79,352 5.84,353 2.168,354 3.235,355 1.863,356 4.487,357 2.751,358 1.774,359 2.516,361 4.527,362 1.731,363 2.922,364 1.822,365 4.367,366 2.603,367 1.618,368 2.06,370 4.293,371 1.592,372 2.63,373 1.188,374 3.509,375 2.13,376 1.151,377 1.689,379 2.696,380 1.125,381 2.5,382 1.007,383 3.27,384 1.956,385 1,386 1.5,388 2.136,389 0.953,390 1.939,391 1,392 3.247,393 1.703,394 0.71,395 0.845,397 1.702,398 0.703,399 1.316,400 0.668,401 2.591,402 0.921,403 -0.098,404 -0.127,406 -0.232,407 -0.099,408 0.793,409 -0.252,410 2.363,411 0.373,412 -0.618,413 -0.729,415 -1.526,416 -0.607,417 0.685,418 -0.365,419 2.268,420 0.342,421 -0.651,422 -0.885,424 -1.82,425 -0.644,426 0.5,427 -0.787,428 1.931,429 -0.001,430 -1,431 -1.45,433 -2.347,434 -0.971,435 0.484,436 -1,437 1.555,438 -0.029,439 -1,440 -1.5,442 -2.461,443 -0.996,444 0.07,445 -1.006,446 1.403,447 -0.195,448 -1.221,449 -1.671,451 -3.504,452 -1.26,453 -0.41,454 -1.365,455 1.106,456 -0.616,457 -1.603,458 -2.004,460 -4.569,461 -1.578,462 8.133,463 0.478,464 0.346,465 0.02,466 24.75,467 1.456,468 14,469 0.824,470 10.75,471 0.632,472 9.659,473 0.568,474 17.067,475 0.589,476 14.407,477 0.847,478 4.86,479 0.286,480 3.466,481 0.204,482 0.041,484 0.307,487 0.669,488 1.087,489 0.732,490 0.908,491 0.522,492 0.836,493 0.586,494 1.077,495 0.865,496 1.01,497 0.559,498 0.978,499 1.115,500 1.026,501 1.069,502 1.021,503 1.121,504 1.038,505 1.005,506 1.002,507 1.132,508 1.082,509 0.96,510 1.115,511 0.761,512 0.952,513 0.912,514 0.995,515 0.767,516 0.979,517 1.001,518 1.148,519 1.074,520 1.119,521 1.078,522 1.116,523 0.76,524 0.936,525 1.006,526 0.973,527 0.574,528 1,529 1.189,530 0.963,531 0.983,532 0.935,533 0.958,534 0.915,535 3,536 0.012,537 1.778,538 0.688,539 0.858,540 0.361,541 0.18,542 0.115,543 0.082,544 0.03,545 2463,546 6690,547 2.163,548 41.4,549 2,550 5,552 2,553 1,554 2,558 1.568,559 2.082,560 2.941,561 -0.314,563 1,564 1,565 1,567 42.559,568 1.468,569 3.297,570 4.044,571 4.651,572 4.72,573 4.72,574 2.542,575 3.572,576 4.06,577 3.003,578 408.352,579 6.855,580 3578.15,582 1,584 1,585 140.881,586 1.166,587 4.043,588 0.158,589 0.012,590 0.068,591 0.027,592 0.045,593 0.023,594 0.015,595 0.013,596 0.014,597 0.01,598 0.385,599 1,600 1,601 0.481,602 69.678,603 -0.04,604 -0.033,605 0.04,606 0.027,607 -0.019,608 0.042,609 0.116,610 -0.054,611 -0.034,612 -0.066,613 0.038,614 -0.07,615 -0.15,616 -0.053,617 -0.144,618 -0.062,619 -0.141,620 -0.096,621 -0.123,622 -0.051,623 -0.175,624 -0.111,625 -0.083,626 -0.141,627 0.019,628 -0.043,629 0.084,630 0.005,631 0.043,632 0.045,633 -0.07,634 -0.22,635 -0.087,636 -0.142,637 -0.114,638 -0.127,639 0.071,640 0.069,641 0.022,642 -0.028,643 0.015,644 -0.011,645 -0.036,646 0.011,647 0.118,648 0.015,649 0.102,650 0.085,651 1.563,652 4.26,653 0.941,654 10.152,655 0.998,656 1.113,657 1.88,658 3.534,659 0.699,660 2.996,661 3.296,662 3.555,663 3.807,664 4.078,665 4.043,666 4.159,667 4.234,668 4.248,669 4.043,670 4.416,671 0.669,672 224.28,673 2.996,674 4.511,675 5.352,676 6.217,677 7.076,678 7.946,679 8.812,680 9.684,681 10.553,682 11.426,683 6.9,690 1,693 1,699 7,700 1,704 4,706 12,724 29,726 13,727 1,728 19,730 31,731 14,733 11,734 3,735 3,739 3,740 4,748 2,751 2,753 12,754 2,756 1,761 1,765 1,769 1,772 12,773 3,774 1,775 3,779 2,784 0.667,785 1,795 1,802 3,806 1,816 1,832 2,840 17,846 2,847 1,862 3.4,865 1,869 8.167,870 5.2,871 3.722,872 1.758,874 2.378,875 1.369,876 1.027,877 2.466,878 8.819,879 3.296,880 3.871,881 4.419,882 4.984,883 5.565,884 5.732,885 6.155,886 6.494,887 6.758,888 6.881,889 1,890 25,891 6.259,893 2.668,894 7.725,895 12.043,897 10.007,899 2.225,900 37.833,901 0.002,904 129.482,905 87.563,906 34.796,908 25.145,911 87.563,912 154.627,913 34.796,915 23.08,916 47.381,917 70.177,918 30.408,920 105.94,922 129.482,923 122.36,924 25.145,927 129.482,928 25.145,931 41.175,932 64.399,933 16.786,935 129.482,936 59.941,937 87.563,940 129.482,941 22.087,942 65.476,943 18.011,944 41.93,945 129.482,946 59.941,947 87.563,949 0.576,950 0.332,951 0.182,952 0.106,953 14,954 5,955 0.032,956 1,957 1,958 1.125,959 3.026,960 120.688,961 0.125,962 16,963 69.487,968 10.185,969 4.115,970 1.973,972 59.941,973 13.694,974 4.115,978 4.389,980 18.011,981 276.987,982 26,987 11.26,991 0.103,994 28.949,995 32.282,996 0.302,997 0.679,998 0.832,999 0.957,1000 0.972,1001 0.972,1002 4.5,1003 0.71,1004 5.313,1005 2.136,1006 3.97,1007 4.554,1008 1.953,1009 6.084,1010 3.947,1011 5.689,1012 -0.098,1013 6.841,1014 1.702,1015 3.434,1016 4.205,1017 1.593,1018 6.88,1019 3.43,1020 6.977,1021 -0.618,1022 8.468,1023 -0.232,1024 5.517,1025 6.693,1026 2.904,1027 9.969,1028 5.476,1029 8.299,1030 -0.651,1031 10.155,1032 -1.526,1033 5.802,1034 7.144,1035 3.032,1036 11.6,1037 5.776,1038 9.652,1039 -1,1040 11.88,1041 -1.82,1042 7.34,1043 9.1,1044 4.037,1045 14.173,1046 7.281,1047 11.026,1048 -1,1049 13.632,1050 -2.347,1051 8.028,1052 9.955,1053 4.409,1054 16.148,1055 7.976,1056 12.417,1057 -1.221,1058 15.402,1059 -2.461,1060 9.318,1061 11.653,1062 5.25,1063 18.526,1064 9.241,1065 3.012,1066 -1.603,1067 17.186,1068 -3.504,1069 10.209,1070 12.732,1071 5.75,1072 20.649,1073 10.132,1074 2.695,1075 9.61,1076 18.979,1077 -4.569,1078 11.385,1079 14.291,1080 6.501,1081 22.948,1082 11.289,1083 2.137,1084 8.611,1085 20.78,1086 4.034,1087 12.377,1088 15.499,1089 7.068,1090 25.138,1091 12.277,1092 1.774,1093 5.84,1094 22.587,1095 3.529,1096 13.501,1097 16.981,1098 7.771,1099 27.405,1100 13.387,1101 1.618,1102 4.527,1103 24.397,1104 2.79,1105 14.542,1106 18.263,1107 8.374,1108 29.625,1109 14.421,1110 1.151,1111 4.293,1112 26.212,1113 2.516,1114 15.645,1115 19.702,1116 9.051,1117 31.88,1118 15.512,1119 1,1120 2.696,1121 28.029,1122 2.06,1123 16.712,1124 21.029,1125 9.674,1126 34.115,1127 16.57,1128 2376,1129 3981,1130 13.118,1131 20.273,1132 28.412,1133 29.411,1134 28.509,1135 28.146,1136 28.193,1137 37.927,1138 4.112,1139 78.827,1140 27.842,1141 5.312,1142 5.618,1143 6.1,1144 5.042,1145 5.012,1146 7.034,1147 3.306,1148 16.104,1149 4.984,1150 4.916,1151 1.495,1152 1.548,1153 1.5,1154 1.481,1155 1.484,1156 1.996,1157 0.216,1158 4.149,1159 1.465,1160 4.033,1161 4.062,1162 3.983,1163 3.966,1164 7.429,1165 3.966,1166 3.798,1167 3.841,1168 3.732,1169 3.683,1170 4.929,1171 3.688,1172 3.479,1173 3.517,1174 3.393,1175 3.337,1176 4.671,1177 3.341,1178 3.072,1179 3.141,1180 2.934,1181 2.885,1182 3.996,1183 2.888,1184 2.889,1185 2.927,1186 2.807,1187 2.773,1188 3.811,1189 2.777,1190 2.751,1191 2.835,1192 2.618,1193 2.541,1194 3.765,1195 2.55,1196 2.657,1197 2.752,1198 2.457,1199 2.438,1200 3.489,1201 2.436,1202 2.495,1203 2.568,1204 2.337,1205 2.326,1206 3.33,1207 2.319,1208 0.23,1209 0.19,1210 0.331,1211 0.211,1212 0.159,1213 4.368,1214 0.212,1215 3.618,1216 0.1,1217 6.298,1218 0.506,1219 4.003,1220 0.157,1221 3.012,1222 4.034,1223 1.907,1224 9.61,1225 2.984,1226 2.002,1227 1.977,1228 2.096,1229 2.092,1230 1.299,1231 2.094,1232 1.769,1233 1.731,1234 1.902,1235 1.913,1236 1.02,1237 1.911,1238 1.453,1239 1.41,1240 1.657,1241 1.617,1242 0.781,1243 1.628,1244 1.025,1245 0.966,1246 1.247,1247 1.282,1248 0.312,1249 1.276,1250 0.879,1251 0.842,1252 1.114,1253 1.039,1254 0.253,1255 1.066,1256 0.712,1257 0.631,1258 0.992,1259 0.964,1260 0.018,1261 0.975,1262 0.65,1263 0.56,1264 0.979,1265 0.915,1266 0.009,1267 0.952,1268 0.497,1269 0.426,1270 0.861,1271 0.738,1273 0.781,1274 3.664,1276 4.963,1278 6.479,1280 8.088,1282 9.743,1290 1.388,1291 2.884,1300 19.392,1301 42.559,1302 95.62,1303 117.272,1304 134.881,1305 136.881,1306 136.881,1307 19.644,1308 6.441,1309 41.99,1310 41.99,1311 18,1312 11.968,1313 3.807,1314 3,1315 23.773,1316 46,1317 40,1318 0.271,1319 119.976,1320 204.19,1321 284.502,1322 4543,1324 11.665,1325 0.686,1326 0.548,1327 11.665,1328 9.311,1329 8.326,1330 0.438,1331 0.298,1332 5.612,1333 8.118,1334 5.495,1335 4.541,1336 8.326,1337 5.66,1338 7.41,1339 0.285,1340 0.16,1341 7.41,1342 4.162,1343 6.232,1344 0.183,1345 0.088,1346 6.232,1347 2.996,1348 5.194,1349 0.118,1350 0.048,1351 5.194,1352 2.096,1353 4.489,1354 0.077,1355 0.026,1356 4.489,1357 1.515,1358 0.41,1359 51.445,1360 0.276,1361 17.015,1362 0.78,1363 90,1364 245.714,1365 95.656,1366 243.27,1367 334.06,1368 228,1369 105,1370 245.003,1371 110.158,1372 250.911,1373 362.53,1374 237,1375 6.268} {0 CHEMBL62834,1 1.419,2 14.5,3 5.576,4 31.087,5 139.476,6 7.287,7 0.486,8 4.238,9 4.343,10 3.821,11 3.87,12 5.291,13 3.803,14 4.779,15 4.928,16 4.139,17 4.273,18 5.816,19 4.162,20 5.067,21 5.274,22 4.187,23 4.395,24 5.949,25 4.251,26 5.121,27 5.351,28 4.14,29 4.396,30 5.963,31 4.23,32 5.126,33 5.362,34 4.111,35 4.4,36 5.944,37 4.229,38 5.118,39 5.367,40 4.066,41 4.364,42 5.925,43 4.194,44 5.078,45 5.319,46 4.016,47 4.324,48 5.899,49 4.148,50 5.045,51 5.294,52 3.951,53 4.263,54 5.865,55 4.095,56 0.049,57 0.82,58 14.233,59 6.784,60 12.016,61 8.58,62 0.255,63 1.404,64 28.655,65 12.107,66 44.294,67 15.005,68 0.303,69 1.806,70 39.769,71 15.934,72 47.671,73 20.175,74 0.346,75 1.919,76 44.32,77 17.04,78 52.759,79 21.618,80 0.289,81 1.934,82 44.33,83 17.453,84 47.447,85 22.261,86 0.35,87 1.911,88 41.974,89 16.566,90 48.273,91 21.832,92 0.282,93 1.826,94 41.08,95 16.285,96 47.947,97 21.042,98 0.344,99 1.756,100 40.862,101 15.551,102 51.274,103 19.937,104 12,105 48,106 0.225,107 0.545,108 0.748,109 0.854,110 0.887,111 0.887,112 3.56,113 1.046,114 -5.46,115 -5.34,116 -4.99,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 5,175 1,177 1,180 25,181 1,186 6,191 1,194 22,195 1,198 7,203 1,206 19,207 1,210 5,215 1,218 18,219 1,221 1,222 5,227 1,229 17,230 1,234 5,239 1,242 16,243 1,247 6,252 1,255 17,259 4,260 1,267 17,268 2,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 16.475,278 14.589,279 23.866,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.605,286 14.727,287 7,288 18.895,289 4.603,290 2.585,291 1.309,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 24.479,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.7,325 71.5,326 493,327 4.249,328 4.543,329 6.705,330 4.093,331 3.144,332 3.889,333 3.272,334 10.882,335 2.98,336 4.231,337 3.597,338 6.143,339 3.868,340 2.869,341 3.592,342 2.341,343 9.054,344 2.867,345 3.813,346 3.06,347 5.734,348 3.472,349 2.504,350 3.304,351 1.151,352 7.706,353 2.428,354 3.694,355 2.947,356 5.323,357 3.368,358 2.379,359 2.899,361 6.892,362 2.347,363 3.559,364 2.82,365 4.659,366 3.241,367 2.235,368 2.722,370 5.184,371 2.222,372 3.269,373 2.552,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.166,382 2.207,383 4.441,384 2.759,385 1.769,386 2.233,388 4.457,389 1.744,390 3.009,391 2.124,392 4.111,393 2.636,394 1.7,395 2.151,397 3.778,398 1.579,399 2.661,400 1.877,401 3.692,402 2.357,403 1.397,404 1.727,406 3.159,407 1.331,408 2.546,409 1.669,410 3.52,411 2.18,412 1.201,413 1.542,415 2.739,416 1.175,417 2.5,418 1.402,419 3.496,420 2.017,421 1.105,422 1.5,424 2.628,425 1,426 2.5,427 1.373,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.155,437 3.247,438 2,439 1,440 1.5,442 2.136,443 0.995,444 2.324,445 1,446 3.247,447 1.955,448 1,449 1.301,451 2.136,452 0.952,453 1.977,454 1,455 3.213,456 1.837,457 0.91,458 0.936,460 1.958,461 0.818,462 16.733,463 0.492,464 0.554,465 0.016,466 40.5,467 1.191,468 20.5,469 0.603,470 20,471 0.588,472 33.439,473 0.984,474 36.067,475 0.555,476 28.701,477 0.844,478 7.51,479 0.221,480 9.193,481 0.27,482 0.04,484 0.239,487 0.771,488 1.043,489 0.808,490 0.951,491 0.714,492 0.943,493 0.833,494 1.123,495 1.179,496 1.168,497 0.525,498 1.108,499 1.017,500 1.059,501 1.055,502 1.077,503 0.882,504 1.066,505 1.017,506 1.01,507 1.14,508 1.069,509 0.744,510 1.025,511 0.831,512 1.047,513 1.13,514 1.098,515 0.554,516 1.035,517 0.774,518 0.924,519 0.953,520 0.943,521 0.588,522 0.973,523 0.865,524 1.034,525 1.06,526 1.057,527 0.75,528 1.051,529 1.055,530 0.92,531 1.078,532 0.967,533 0.814,534 0.947,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47693,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 92.237,568 1.419,569 3.438,570 4.714,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.63,601 1.437,602 185.955,603 -0.023,604 0.014,605 0.057,606 0.053,607 -0.031,608 0.043,609 0.058,610 -0.07,611 -0.123,612 -0.095,613 0.138,614 -0.115,615 -0.056,616 -0.067,617 -0.043,618 -0.059,619 -0.078,620 -0.075,621 -0.071,622 -0.016,623 -0.046,624 -0.017,625 -0.031,626 -0.025,627 -0.029,628 -0.054,629 -0.048,630 -0.046,631 0.016,632 -0.026,633 0.017,634 0.064,635 0.019,636 0.036,637 -0.007,638 0.02,639 -0.036,640 -0.054,641 -0.04,642 -0.046,643 -0.043,644 -0.05,645 -0.083,646 0.063,647 -0.031,648 0.043,649 -0.059,650 0.046,651 2.418,652 3.705,653 0.676,654 47.298,655 0.991,656 1.112,657 4.231,658 17.905,659 0.684,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.635,672 473.68,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 4,774 1,775 5,776 1,779 1,784 1,785 3,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,833 1,834 1,840 34,845 1,846 6,848 1,849 1,850 3,857 1,862 4.6,864 1,865 1,866 1,869 16.667,870 11.15,871 7.694,872 3.954,874 2.881,875 1.369,876 0.95,877 9.094,878 10.69,879 3.892,880 4.376,881 4.842,882 5.326,883 5.823,884 5.871,885 6.236,886 6.503,887 6.774,888 7.02,889 0.9,890 47,891 12.595,893 5.252,894 7.637,895 24.613,897 20.387,899 2.137,900 72.667,904 353.133,905 202.788,906 16.786,908 78.828,910 32.22,911 170.568,912 431.961,913 16.786,915 15.63,916 123.191,917 120.066,918 30.837,920 361.81,922 353.133,923 187.354,924 78.828,925 32.22,927 341.362,928 79.599,929 11,931 33.725,932 117.891,933 35.738,934 32.22,935 353.133,936 95.614,937 202.788,940 353.133,941 61.502,942 141.286,944 95.614,945 353.133,946 95.614,947 202.788,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,964 1,968 24.412,969 12.666,970 7.141,972 95.614,973 26.986,974 4.329,978 4.871,980 42.683,981 651.535,982 48,987 10.705,989 4.102,991 -0.751,994 64.414,995 72.275,996 0.236,997 0.571,998 0.783,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 3.515,1009 6.632,1010 4.515,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.823,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 5.6,1027 10.535,1028 5.97,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.171,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.339,1044 7.879,1045 14.873,1046 7.716,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.983,1053 5.889,1054 16.982,1055 8.349,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.763,1062 10.213,1063 19.422,1064 9.63,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.658,1071 7.625,1072 21.682,1073 10.483,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.273,1080 12.566,1081 24.073,1082 11.643,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.327,1089 9.342,1090 26.397,1091 12.607,1092 2.379,1093 7.706,1094 23.305,1095 3.592,1096 14.139,1097 16.84,1098 14.928,1099 28.775,1100 13.716,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.997,1107 11.051,1108 31.129,1109 14.736,1110 1.846,1111 5.184,1112 27.019,1113 2.899,1114 16.345,1115 19.446,1116 17.295,1117 33.505,1118 15.823,1119 1.769,1120 4.695,1121 28.884,1122 2.722,1123 17.447,1124 20.67,1125 12.755,1126 35.873,1127 16.87,1128 17770,1129 28527,1130 25.424,1131 44.438,1132 54.414,1133 57.602,1134 54.508,1135 53.803,1136 53.837,1137 68.696,1138 13.528,1139 143.437,1140 52.077,1141 5.2,1142 6.543,1143 6.529,1144 5.227,1145 5.144,1146 6.889,1147 6.545,1148 18.009,1149 4.98,1150 12.033,1151 1.471,1152 1.557,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.366,1158 3.877,1159 1.407,1160 4.027,1161 4.052,1162 4.077,1163 3.976,1164 7.474,1165 3.966,1166 3.945,1167 3.975,1168 3.938,1169 3.899,1170 6.351,1171 3.872,1172 3.778,1173 3.82,1174 3.706,1175 3.701,1176 4.903,1177 3.694,1178 3.76,1179 3.796,1180 3.67,1181 3.66,1182 4.843,1183 3.653,1184 3.67,1185 3.708,1186 3.635,1187 3.564,1188 4.661,1189 3.545,1190 3.458,1191 3.492,1192 3.393,1193 3.29,1194 4.483,1195 3.283,1196 3.204,1197 3.244,1198 3.158,1199 3.057,1200 4.379,1201 3.052,1202 3.101,1203 3.15,1204 3.036,1205 2.927,1206 4,1207 2.908,1208 0.115,1209 0.123,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 4.543,1216 0.088,1217 6.705,1218 0.294,1219 4.093,1220 0.081,1221 3.144,1222 3.889,1223 3.272,1224 10.882,1225 2.98,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.388,1231 2.073,1232 1.881,1233 1.848,1234 2.025,1235 1.992,1236 1.216,1237 2.004,1238 1.78,1239 1.749,1240 1.94,1241 1.91,1242 1.156,1243 1.926,1244 1.764,1245 1.721,1246 1.916,1247 1.873,1248 1.05,1249 1.889,1250 1.606,1251 1.562,1252 1.819,1253 1.78,1254 1.001,1255 1.792,1256 1.394,1257 1.356,1258 1.619,1259 1.602,1260 0.926,1261 1.613,1262 1.266,1263 1.236,1264 1.434,1265 1.423,1266 0.703,1267 1.45,1268 1.136,1269 1.091,1270 1.374,1271 1.299,1272 0.59,1273 1.344,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.805,1290 4.267,1292 6.466,1293 1.952,1294 0.935,1300 41.255,1301 92.237,1302 223.439,1303 306.381,1304 349.944,1305 363.454,1306 363.454,1307 64.238,1308 7.809,1309 59.42,1310 84.72,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 257.087,1320 454.96,1321 619.053,1322 28907,1324 23.589,1325 0.694,1326 0.59,1327 23.943,1328 20.071,1329 16.704,1330 0.451,1331 0.349,1332 11.858,1333 15.908,1334 11.496,1335 9.506,1336 17.158,1337 12.896,1338 14.205,1339 0.296,1340 0.204,1341 14.729,1342 9.772,1343 11.504,1344 0.189,1345 0.126,1346 12.258,1347 7.705,1348 9.43,1349 0.122,1350 0.078,1351 10.31,1352 6.027,1353 7.501,1354 0.081,1355 0.044,1356 8.203,1357 4.087,1358 0.251,1359 107.325,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 442.126,1365 201.641,1366 450.711,1367 605.6,1368 424,1369 194,1370 410.039,1371 224.412,1372 430.016,1373 622.37,1374 405,1375 7.959} {0 CHEMBL62852,1 1.462,2 14.457,3 4.464,4 19.926,5 140.848,6 7.419,7 0.474,8 4.259,9 4.357,10 3.896,11 3.886,12 5.325,13 3.822,14 4.801,15 4.945,16 4.181,17 4.286,18 5.861,19 4.185,20 5.114,21 5.314,22 4.251,23 4.418,24 6.059,25 4.289,26 5.169,27 5.388,28 4.231,29 4.42,30 6.128,31 4.273,32 5.187,33 5.412,34 4.205,35 4.428,36 6.129,37 4.277,38 5.178,39 5.417,40 4.142,41 4.392,42 6.096,43 4.239,44 5.118,45 5.351,46 4.089,47 4.347,48 6.029,49 4.187,50 5.094,51 5.333,52 4.031,53 4.29,54 6.01,55 4.139,56 0.059,57 0.849,58 15.285,59 7.068,60 14.144,61 8.591,62 0.236,63 1.434,64 28.748,65 12.311,66 48.093,67 15.026,68 0.352,69 1.866,70 41.477,71 16.356,72 67.775,73 20.331,74 0.497,75 1.975,76 46.354,77 17.411,78 79.734,79 21.762,80 0.417,81 2.016,82 47.066,83 17.918,84 77.531,85 22.473,86 0.445,87 1.982,88 44.705,89 17.085,90 75.749,91 22.066,92 0.32,93 1.872,94 42.65,95 16.602,96 66.839,97 21.187,98 0.412,99 1.809,100 42.935,101 15.917,102 72.833,103 20.115,104 17,105 50,106 0.231,107 0.552,108 0.75,109 0.854,110 0.886,111 0.886,112 3.588,113 1.058,114 -4.6,115 -4.52,116 -4.26,118 43.9,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 5,175 1,177 1,180 23,181 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,209 1,210 7,215 1,218 16,219 1,221 1,222 7,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 9,252 1,255 15,259 6,260 1,267 16,268 1,270 2823,271 24.018,272 24.018,273 24.018,274 24.018,275 24.018,276 21.283,277 16.887,278 14.817,279 24.464,280 18.819,281 18.819,282 18.819,283 18.819,284 18.819,285 14.847,286 15.182,287 7.11,288 19.506,289 4.583,290 2.546,291 1.289,292 0.629,293 0.424,294 0.424,295 4.286,300 1,301 1080,302 3.873,305 113.193,306 388.163,313 2.211,314 34.925,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 74.5,326 506,327 4.37,328 4.866,329 6.907,330 4.179,331 3.249,332 3.889,333 3.272,334 11.589,335 3.025,336 4.244,337 3.597,338 6.143,339 3.869,340 2.87,341 3.684,342 2.341,343 9.054,344 2.867,345 3.813,346 3.075,347 5.784,348 3.473,349 2.506,350 3.304,351 1.151,352 7.806,353 2.428,354 3.726,355 2.993,356 5.323,357 3.369,358 2.38,359 3.07,361 6.893,362 2.347,363 3.559,364 2.842,365 5.012,366 3.241,367 2.235,368 2.722,370 5.524,371 2.222,372 3.304,373 2.567,374 4.66,375 2.865,376 1.97,377 2.592,379 5.184,380 1.819,381 3.25,382 2.209,383 4.649,384 2.829,385 1.844,386 2.353,388 4.718,389 1.777,390 3.137,391 2.124,392 4.442,393 2.727,394 1.758,395 2.196,397 4.47,398 1.653,399 2.94,400 1.878,401 3.795,402 2.536,403 1.581,404 2.063,406 3.416,407 1.484,408 2.661,409 1.669,410 3.622,411 2.281,412 1.323,413 1.726,415 2.947,416 1.257,417 2.543,418 1.415,419 3.51,420 2.165,421 1.17,422 1.541,424 2.715,425 1.163,426 2.5,427 1.373,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.156,437 3.319,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1,446 3.247,447 1.959,448 1,449 1.5,451 2.136,452 0.956,453 2.072,454 1,455 3.247,456 1.946,457 0.963,458 1.026,460 2.097,461 0.94,462 17.067,463 0.488,464 0.644,465 0.018,466 42.75,467 1.221,468 22,469 0.629,470 20.75,471 0.593,472 33.035,473 0.944,474 37.533,475 0.569,476 33.08,477 0.945,478 8.248,479 0.236,480 8.866,481 0.253,482 0.059,484 0.283,487 0.672,488 1.084,489 0.83,490 1.042,491 0.662,492 0.955,493 0.77,494 1.139,495 1.149,496 1.181,497 0.536,498 1.111,499 1.065,500 1.058,501 1.056,502 1.072,503 1.015,504 1.062,505 1.003,506 1.011,507 1.121,508 1.065,509 0.824,510 1.019,511 0.949,512 1.037,513 1.128,514 1.082,515 0.83,516 1.026,517 0.945,518 0.917,519 0.975,520 0.932,521 0.885,522 0.971,523 0.895,524 1.04,525 1.051,526 1.06,527 0.809,528 1.049,529 1.098,530 0.924,531 1.077,532 0.965,533 0.938,534 0.946,535 5,536 0.29,537 3.111,538 2.167,539 1.384,540 0.952,541 0.651,542 0.39,543 0.271,544 0.237,545 19521,546 52379,547 2.092,548 47,549 6,550 19,552 2,553 1,554 2,556 1,558 1.769,559 2,560 3.784,561 -0.43,567 96.468,568 1.462,569 3.499,570 4.755,571 5.415,572 5.62,573 5.62,574 3.272,575 4.672,576 5.092,577 3.991,578 2374.72,579 8.959,580 39140.2,585 398.93,586 1.206,587 5.08,588 0.132,589 0.007,590 0.062,591 0.043,592 0.029,593 0.02,594 0.014,595 0.009,596 0.007,597 0.006,598 0.329,599 0.17,600 0.75,601 1.476,602 192.304,603 0.017,604 0.004,605 0.111,606 0.033,607 -0.051,608 0.044,609 0.041,610 -0.076,611 -0.116,612 -0.099,613 0.09,614 -0.114,615 -0.078,616 -0.065,617 -0.05,618 -0.056,619 -0.109,620 -0.074,622 -0.018,623 -0.033,624 -0.018,625 0.013,626 -0.023,627 -0.024,628 -0.041,629 -0.05,630 -0.04,631 0.004,632 -0.026,633 -0.034,634 0.066,636 0.04,637 -0.044,638 0.017,639 -0.043,640 -0.06,641 -0.036,642 -0.05,643 -0.021,644 -0.048,645 -0.095,646 0.056,647 -0.033,648 0.04,649 -0.056,650 0.045,651 2.456,652 6.139,653 0.657,654 48.56,655 0.996,656 1.113,657 3.373,658 11.374,659 0.68,660 3.664,661 3.932,662 4.174,663 4.431,664 4.625,665 4.644,666 4.779,667 4.875,668 4.963,669 5.069,670 8.496,671 0.636,672 489.68,673 3.664,674 5.176,675 6.004,676 6.86,677 7.711,678 8.579,679 9.444,680 10.319,681 11.193,682 12.074,683 1.5,693 1,699 13,700 1,704 4,706 18,724 66,726 21,727 2,728 38,730 69,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 3,761 2,763 2,765 1,766 1,772 31,773 5,774 1,775 6,776 1,779 1,784 1,785 4,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,834 1,840 35,842 1,845 1,846 6,848 1,850 3,857 1,862 6.1,864 1,865 2,866 1,869 17.5,870 11.317,871 7.889,872 3.982,874 2.868,875 1.365,876 0.952,877 9.137,878 10.724,879 3.932,880 4.425,881 4.888,882 5.392,883 5.883,884 5.935,885 6.312,886 6.592,887 6.823,888 7.085,889 0.9,890 50,891 13.048,893 5.56,894 7.759,895 25.157,897 21.008,899 2.259,900 79.056,904 353.133,905 189.701,906 16.786,908 100.985,910 19.133,911 170.568,912 454.118,913 16.786,915 15.63,916 142.324,917 142.222,918 30.837,920 329.591,922 353.133,923 187.354,924 100.985,925 19.133,927 341.362,928 101.756,929 11,931 33.725,932 117.891,933 35.738,934 19.133,935 353.133,936 117.77,937 189.701,940 372.266,941 29.282,942 141.286,944 117.77,945 353.133,946 117.77,947 189.701,949 0.563,950 0.316,951 0.175,952 0.096,953 21,954 9,955 0.159,956 11,958 1,959 4.714,960 313.425,962 23,963 171.525,966 1,968 25.192,969 12.695,970 7.05,972 117.77,973 26.095,974 4.242,978 4.43,980 42.683,981 660.604,982 50,987 23.848,989 3.952,991 -0.789,992 -1.04,994 65.741,995 73.484,996 0.242,997 0.579,998 0.787,999 0.896,1000 0.93,1001 0.93,1002 5.139,1003 1.758,1004 5.948,1005 4.718,1006 4.615,1007 5.112,1008 3.515,1009 6.711,1010 4.545,1011 6.293,1012 1.581,1013 7.468,1014 4.47,1015 4.007,1016 4.575,1017 2.243,1018 7.557,1019 3.886,1020 7.553,1021 1.323,1022 9.097,1023 3.416,1024 6.142,1025 7.123,1026 5.6,1027 10.691,1028 6.002,1029 8.846,1030 1.17,1031 10.797,1032 2.947,1033 6.431,1034 7.397,1035 4.112,1036 12.496,1037 6.221,1038 10.172,1039 1,1040 12.546,1041 2.715,1042 7.982,1043 9.406,1044 7.879,1045 15.138,1046 7.755,1047 11.521,1048 1,1049 14.332,1050 2.275,1051 8.717,1052 10.094,1053 5.889,1054 17.328,1055 8.407,1056 12.891,1057 1,1058 16.144,1059 2.136,1060 10.021,1061 11.839,1062 10.213,1063 19.823,1064 9.685,1065 3.249,1066 0.963,1067 17.978,1068 2.136,1069 10.98,1070 12.768,1071 7.625,1072 22.166,1073 10.557,1074 2.87,1075 11.589,1076 19.828,1077 2.097,1078 12.186,1079 14.358,1080 12.566,1081 24.619,1082 11.721,1083 2.506,1084 9.054,1085 21.691,1086 3.889,1087 13.252,1088 15.437,1089 9.342,1090 27.022,1091 12.702,1092 2.38,1093 7.806,1094 23.565,1095 3.684,1096 14.423,1097 16.933,1098 14.928,1099 29.466,1100 13.818,1101 2.235,1102 6.893,1103 25.447,1104 3.304,1105 15.54,1106 18.108,1107 11.051,1108 31.894,1109 14.854,1110 1.97,1111 5.524,1112 27.337,1113 3.07,1114 16.701,1115 19.545,1116 17.295,1117 34.338,1118 15.951,1119 1.844,1120 5.184,1121 29.233,1122 2.722,1123 17.844,1124 20.781,1125 12.755,1126 36.777,1127 17.014,1128 18697,1129 30736,1130 25.83,1131 44.892,1132 56.278,1133 58.848,1134 56.534,1135 55.596,1136 55.55,1137 71.44,1138 13.528,1139 150.374,1140 53.583,1141 5.321,1142 6.866,1143 6.731,1144 5.313,1145 5.249,1146 6.889,1147 6.545,1148 18.735,1149 5.025,1150 14.486,1151 1.481,1152 1.549,1153 1.488,1154 1.463,1155 1.462,1156 1.88,1157 0.356,1158 3.957,1159 1.41,1160 4.048,1161 4.068,1162 4.38,1163 4.009,1164 7.474,1165 3.977,1166 3.973,1167 3.995,1168 3.946,1169 3.942,1170 7.396,1171 3.911,1172 3.779,1173 3.82,1174 3.743,1175 3.701,1176 6.351,1177 3.694,1178 3.76,1179 3.797,1180 3.686,1181 3.661,1182 4.899,1183 3.654,1184 3.701,1185 3.733,1186 3.649,1187 3.608,1188 4.843,1189 3.579,1190 3.484,1191 3.515,1192 3.443,1193 3.326,1194 4.658,1195 3.309,1196 3.228,1197 3.257,1198 3.252,1199 3.08,1200 4.471,1201 3.069,1202 3.163,1203 3.195,1204 3.06,1205 2.989,1206 4.379,1207 2.969,1208 0.115,1209 0.128,1210 0.182,1211 0.11,1212 0.085,1213 4.37,1214 0.102,1215 4.866,1216 0.086,1217 6.907,1218 0.305,1219 4.179,1220 0.08,1221 3.249,1222 3.889,1223 3.272,1224 11.589,1225 3.025,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.393,1231 2.073,1232 1.891,1233 1.863,1234 2.026,1235 1.997,1236 1.218,1237 2.011,1238 1.782,1239 1.751,1240 1.941,1241 1.912,1242 1.162,1243 1.929,1244 1.764,1245 1.722,1246 1.916,1247 1.874,1248 1.122,1249 1.889,1250 1.608,1251 1.567,1252 1.819,1253 1.78,1254 1.003,1255 1.794,1256 1.471,1257 1.465,1258 1.625,1259 1.625,1260 0.94,1261 1.66,1262 1.329,1263 1.299,1264 1.453,1265 1.492,1266 0.744,1267 1.525,1268 1.147,1269 1.104,1270 1.384,1271 1.342,1272 0.591,1273 1.363,1274 4.344,1276 5.624,1277 2.398,1278 7.094,1279 4.844,1280 8.654,1281 7.018,1282 10.266,1289 8.803,1290 3.265,1292 6.364,1294 -0.114,1300 41.97,1301 96.468,1302 230.915,1303 313.857,1304 357.42,1305 370.93,1306 370.93,1307 82.39,1308 7.856,1309 76.49,1310 95.7,1311 23,1312 12.611,1313 4.459,1314 3.7,1315 59.409,1316 169,1317 194,1318 0.16,1319 261.084,1320 463.75,1321 628.804,1322 30051,1324 24.46,1325 0.699,1326 0.585,1327 24.748,1328 20.479,1329 17.114,1330 0.45,1331 0.353,1332 12.04,1333 16.087,1334 11.656,1335 9.634,1336 17.774,1337 13.396,1338 14.754,1339 0.295,1340 0.208,1341 15.553,1342 10.414,1343 11.848,1344 0.185,1345 0.128,1346 12.774,1347 8.22,1348 9.929,1349 0.12,1350 0.08,1351 11.059,1352 6.609,1353 7.981,1354 0.079,1355 0.045,1356 8.924,1357 4.573,1358 0.256,1359 112.42,1360 0.197,1361 32.804,1362 0.425,1363 176,1364 489.862,1365 215.875,1366 493.981,1367 657.32,1368 460,1369 202,1370 440.044,1371 244.421,1372 469.728,1373 673.55,1374 441,1375 7} {0 CHEMBL63040,1 1.369,2 14.5,3 4.831,4 23.338,5 133.302,6 7.04,7 0.486,8 4.245,9 4.351,10 3.76,11 3.819,12 5.314,13 3.782,14 4.791,15 4.941,16 4.067,17 4.202,18 5.852,19 4.134,20 5.076,21 5.283,22 4.091,23 4.33,24 5.995,25 4.222,26 5.133,27 5.363,28 4.039,29 4.318,30 6.013,31 4.196,32 5.137,33 5.374,34 4.033,35 4.325,36 5.99,37 4.198,38 5.126,39 5.375,40 3.991,41 4.306,42 5.96,43 4.168,44 5.087,45 5.329,46 3.934,47 4.257,48 5.937,49 4.119,50 5.055,51 5.304,52 3.889,53 4.202,54 5.898,55 4.071,56 0.039,57 0.825,58 13.906,59 6.617,60 12.53,61 8.419,62 0.282,63 1.364,64 25.82,65 10.984,66 48.557,67 14.178,68 0.41,69 1.742,70 36.235,71 14.57,72 55.992,73 19.372,74 0.446,75 1.814,76 39.301,77 15.188,78 61.74,79 20.379,80 0.357,81 1.838,82 39.309,83 15.397,84 55.369,85 20.883,86 0.381,87 1.837,88 38.96,89 15.166,90 54.159,91 20.954,92 0.324,93 1.746,94 37.422,95 14.665,96 54.502,97 19.998,98 0.408,99 1.673,100 36.865,101 13.877,102 57.663,103 18.878,104 12,105 48,106 0.217,107 0.54,108 0.743,109 0.854,110 0.887,111 0.887,112 3.56,113 0.961,114 -4.67,115 -4.59,116 -4.32,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 7,175 1,177 1,180 23,181 1,185 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,210 7,215 1,218 16,219 1,221 1,222 8,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 8,252 1,255 15,259 5,260 2,267 16,268 1,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 18.279,278 14.589,279 23.807,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.605,286 19.36,287 7,288 18.795,289 4.653,290 2.616,291 1.34,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 28.525,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 72.5,326 493,327 4.249,328 3.597,329 6.705,330 4.105,331 3.144,332 3.889,333 2.341,334 10.882,335 3.019,336 4.231,337 3.486,338 6.143,339 3.868,340 2.869,341 3.592,342 1.151,343 9.054,344 2.867,345 3.813,346 2.958,347 5.734,348 3.473,349 2.504,350 3.304,351 1.151,352 7.706,353 2.429,354 3.694,355 2.809,356 5.323,357 3.369,358 2.379,359 2.899,361 6.892,362 2.349,363 3.559,364 2.559,365 4.659,366 3.241,367 2.235,368 2.722,370 5.184,371 2.222,372 3.269,373 2.174,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.166,382 2.023,383 4.441,384 2.76,385 1.769,386 2.233,388 4.457,389 1.748,390 3.009,391 1.846,392 4.111,393 2.643,394 1.7,395 2.151,397 3.778,398 1.593,399 2.661,400 1.774,401 3.692,402 2.365,403 1.397,404 1.727,406 3.159,407 1.343,408 2.546,409 1.503,410 3.52,411 2.182,412 1.201,413 1.542,415 2.739,416 1.178,417 2.5,418 1.369,419 3.496,420 2.035,421 1.105,422 1.5,424 2.628,425 1.018,426 2.5,427 1.201,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.247,438 2,439 1,440 1.5,442 2.136,443 1,444 2.324,445 1,446 3.247,447 1.955,448 1,449 1.301,451 2.136,452 0.952,453 1.977,454 1,455 3.213,456 1.868,457 0.91,458 0.936,460 1.958,461 0.861,462 16.233,463 0.477,464 0.554,465 0.016,466 41,467 1.206,468 20.5,469 0.603,470 20.5,471 0.603,472 30.967,473 0.911,474 36.567,475 0.563,476 31.173,477 0.917,478 8.214,479 0.242,480 8.49,481 0.25,482 0.041,484 0.246,487 0.797,488 1.134,489 0.842,490 1.076,491 0.734,492 0.983,493 1.014,494 1.117,495 1.053,496 1.109,497 0.609,498 1.089,499 1.006,500 1.063,501 1.052,502 1.072,503 0.885,504 1.071,505 1.112,506 0.959,507 1.041,508 0.984,509 0.789,510 1.002,511 0.994,512 1.01,513 0.998,514 1.002,515 0.619,516 1.003,517 0.818,518 0.947,519 0.963,520 0.973,521 0.605,522 0.983,523 0.946,524 1.039,525 1.021,526 1.048,527 0.782,528 1.046,529 1.12,530 0.884,531 1,532 0.887,533 0.857,534 0.92,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47693,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 88.992,568 1.369,569 3.407,570 4.683,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.88,601 1.437,602 185.955,603 -0.022,604 -0.03,605 0.043,607 -0.044,608 0.025,609 0.005,610 -0.061,611 -0.112,612 -0.08,613 0.099,614 -0.107,615 -0.001,616 -0.072,617 -0.08,618 -0.071,619 -0.06,620 -0.085,621 -0.06,622 0.015,623 -0.048,624 -0.001,625 -0.034,626 -0.021,627 -0.06,628 -0.037,629 -0.017,630 -0.015,631 0.001,632 -0.012,633 0.005,634 0.039,635 0.012,636 0.007,637 -0.002,638 0.011,639 -0.049,640 -0.068,641 -0.043,642 -0.063,643 -0.048,644 -0.054,645 -0.101,646 0.083,647 0.001,648 0.084,649 -0.077,650 0.061,651 2.434,652 3.691,653 0.676,654 47.298,655 0.995,656 1.116,657 3.444,658 11.86,659 0.665,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.627,672 457.61,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 5,774 1,775 5,779 1,784 1,785 4,790 1,795 1,801 1,802 3,818 1,822 2,830 1,831 2,832 4,840 34,845 1,846 6,848 2,850 3,862 6.2,864 1,865 1,866 2,869 16.667,870 11.15,871 7.694,872 3.954,874 2.881,875 1.369,876 0.949,877 8.754,878 10.69,879 3.892,880 4.376,881 4.842,882 5.326,883 5.823,884 5.871,885 6.236,886 6.503,887 6.774,888 7.02,889 0.9,890 47,891 12.598,893 5.265,894 7.686,895 24.409,897 20.044,899 2.186,900 74.333,904 353.133,905 174.261,906 16.786,908 89.828,911 174.261,912 442.961,913 16.786,915 19.323,916 123.191,917 131.066,918 30.837,920 329.591,922 353.133,923 191.047,924 89.828,927 341.362,928 79.599,929 22,931 37.418,932 117.891,933 35.738,935 353.133,936 106.614,937 174.261,940 353.133,941 32.975,942 141.286,944 106.614,945 353.133,946 106.614,947 174.261,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,968 24.034,969 12.384,970 6.949,972 106.614,973 26.484,974 4.262,978 4.602,980 42.683,981 634.008,982 48,987 10.691,989 4.022,991 -0.768,994 64.665,995 72.564,996 0.227,997 0.566,998 0.778,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 2.699,1009 6.632,1010 4.525,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.836,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 3.799,1027 10.535,1028 5.988,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.2,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.339,1044 5.251,1045 14.873,1046 7.746,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.983,1053 5.889,1054 16.982,1055 8.395,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.763,1062 6.861,1063 19.422,1064 9.677,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.658,1071 7.625,1072 21.682,1073 10.546,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.273,1080 8.529,1081 24.073,1082 11.711,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.327,1089 9.342,1090 26.397,1091 12.69,1092 2.379,1093 7.706,1094 23.305,1095 3.592,1096 14.139,1097 16.84,1098 10.217,1099 28.775,1100 13.805,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.997,1107 11.051,1108 31.129,1109 14.839,1110 1.846,1111 5.184,1112 27.019,1113 2.899,1114 16.345,1115 19.446,1116 11.912,1117 33.505,1118 15.935,1119 1.769,1120 4.695,1121 28.884,1122 2.722,1123 17.447,1124 20.67,1125 12.755,1126 35.873,1127 16.995,1128 17770,1129 28527,1130 25.424,1131 43.245,1132 54.414,1133 55.041,1134 54.508,1135 53.81,1136 53.837,1137 68.696,1138 9.285,1139 143.437,1140 52.382,1141 5.2,1142 5.597,1143 6.529,1144 5.206,1145 5.144,1146 6.889,1147 3.925,1148 18.009,1149 5.019,1150 12.033,1151 1.471,1152 1.488,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.251,1158 3.877,1159 1.416,1160 4.03,1161 4.055,1162 3.965,1163 3.969,1164 7.474,1165 3.964,1166 3.952,1167 3.981,1168 3.885,1169 3.854,1170 6.351,1171 3.857,1172 3.778,1173 3.82,1174 3.695,1175 3.701,1176 4.928,1177 3.694,1178 3.76,1179 3.797,1180 3.658,1181 3.66,1182 4.843,1183 3.652,1184 3.676,1185 3.714,1186 3.577,1187 3.529,1188 4.697,1189 3.532,1190 3.462,1191 3.497,1192 3.351,1193 3.264,1194 4.581,1195 3.275,1196 3.206,1197 3.246,1198 3.088,1199 3.049,1200 4.385,1201 3.05,1202 3.111,1203 3.158,1204 2.946,1205 2.887,1206 4.287,1207 2.893,1208 0.115,1209 0.097,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 3.597,1216 0.063,1217 6.705,1218 0.294,1219 4.105,1220 0.082,1221 3.144,1222 3.889,1223 2.341,1224 10.882,1225 3.019,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.385,1231 2.073,1232 1.879,1233 1.845,1234 2.027,1235 1.999,1236 1.216,1237 2.007,1238 1.78,1239 1.748,1240 1.943,1241 1.913,1242 1.155,1243 1.927,1244 1.763,1245 1.72,1246 1.917,1247 1.874,1248 1.015,1249 1.889,1250 1.605,1251 1.562,1252 1.82,1253 1.781,1254 0.993,1255 1.793,1256 1.387,1257 1.346,1258 1.633,1259 1.629,1260 0.906,1261 1.626,1262 1.246,1263 1.21,1264 1.474,1265 1.493,1266 0.651,1267 1.481,1268 1.132,1269 1.085,1270 1.389,1271 1.34,1272 0.588,1273 1.353,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.791,1290 3.567,1292 12.534,1294 0.148,1300 40.783,1301 88.992,1302 221.439,1303 304.381,1304 349.944,1305 363.454,1306 363.454,1307 65.989,1308 7.809,1309 68.65,1310 68.65,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 249.953,1320 445.24,1321 601.645,1322 28907,1324 23.589,1325 0.694,1326 0.566,1327 23.589,1328 19.254,1329 16.704,1330 0.451,1331 0.32,1332 11.73,1333 16.233,1334 11.496,1335 9.506,1336 16.704,1337 11.848,1338 14.205,1339 0.296,1340 0.179,1341 14.205,1342 8.598,1343 11.504,1344 0.189,1345 0.102,1346 11.504,1347 6.203,1348 9.43,1349 0.122,1350 0.057,1351 9.43,1352 4.396,1353 7.501,1354 0.081,1355 0.032,1356 7.501,1357 2.978,1358 0.251,1359 103.692,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 471.001,1365 182.902,1366 450.711,1367 605.6,1368 424,1369 194,1370 422.87,1371 206.572,1372 430.016,1373 622.37,1374 405,1375 6.921} {0 CHEMBL63056,1 1.498,2 14.417,3 4.56,4 20.792,5 140.324,6 7.547,7 0.462,8 4.279,9 4.372,10 3.966,11 3.901,12 5.341,13 3.84,14 4.837,15 4.972,16 4.246,17 4.301,18 6.035,19 4.214,20 5.16,21 5.353,22 4.311,23 4.44,24 6.165,25 4.325,26 5.215,27 5.424,28 4.315,29 4.443,30 6.276,31 4.315,32 5.244,33 5.46,34 4.29,35 4.456,36 6.291,37 4.324,38 5.234,39 5.464,40 4.211,41 4.42,42 6.246,43 4.283,44 5.156,45 5.382,46 4.157,47 4.369,48 6.15,49 4.224,50 5.14,51 5.371,52 4.105,53 4.315,54 6.142,55 4.182,56 0.072,57 0.876,58 16.292,59 7.346,60 22.441,61 8.602,62 0.331,63 1.472,64 29.302,65 12.561,66 84.348,67 15.052,68 0.417,69 1.924,70 43.131,71 16.765,72 95.189,73 20.482,74 0.655,75 2.029,76 48.295,77 17.771,78 109.37,79 21.902,80 0.559,81 2.095,82 49.72,83 18.366,84 112.894,85 22.678,86 0.561,87 2.051,88 47.385,89 17.586,90 108.205,91 22.294,92 0.371,93 1.916,94 44.155,95 16.91,96 86.82,97 21.327,98 0.495,99 1.86,100 44.947,101 16.272,102 98.811,103 20.287,104 24,105 53,106 0.235,107 0.553,108 0.748,109 0.85,110 0.881,111 0.881,112 3.615,113 1.069,114 -4.57,115 -4.5,116 -4.23,118 43.3,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,171 1,172 5,175 1,177 1,180 23,181 1,186 9,191 1,194 20,195 1,197 2,198 10,203 1,206 17,207 1,209 2,210 9,215 1,218 16,219 1,221 1,222 9,227 1,229 14,230 1,234 11,239 1,242 13,243 1,247 12,252 1,255 15,259 8,260 1,267 16,268 1,270 3014,271 24.335,272 24.335,273 24.335,274 24.335,275 24.335,276 21.415,277 17.299,278 14.877,279 24.763,280 19.322,281 19.322,282 19.322,283 19.322,284 19.322,285 15.026,286 15.808,287 7.148,288 20.042,289 4.568,290 2.538,291 1.3,292 0.649,293 0.448,294 0.448,295 4.31,300 1,301 1105,302 4.183,305 116.493,306 400.247,313 2.185,314 46.223,317 0.75,318 0.67,319 0.67,320 0.7,321 0.5,322 0.67,323 0.5,324 0.64,325 77.5,326 519,327 4.89,328 5.304,329 7.577,330 4.454,331 3.563,332 4.608,333 3.272,334 13.717,335 3.176,336 4.244,337 3.597,338 6.143,339 3.869,340 2.87,341 3.889,342 2.341,343 9.055,344 2.867,345 3.906,346 3.117,347 6.07,348 3.494,349 2.548,350 3.443,351 1.151,352 8.573,353 2.43,354 3.811,355 3.024,356 5.739,357 3.435,358 2.47,359 3.303,361 7.693,362 2.354,363 3.621,364 2.852,365 5.323,366 3.363,367 2.374,368 2.729,370 6.893,371 2.312,372 3.558,373 2.577,374 4.761,375 3.24,376 2.235,377 2.708,379 5.184,380 2.221,381 3.266,382 2.211,383 4.659,384 2.83,385 1.845,386 2.575,388 4.784,389 1.819,390 3.156,391 2.124,392 4.445,393 2.746,394 1.761,395 2.218,397 4.48,398 1.729,399 2.978,400 1.88,401 3.898,402 2.591,403 1.63,404 2.129,406 3.484,407 1.55,408 2.661,409 1.669,410 3.647,411 2.308,412 1.34,413 1.726,415 2.989,416 1.291,417 2.544,418 1.432,419 3.52,420 2.17,421 1.173,422 1.541,424 2.718,425 1.168,426 2.5,427 1.374,428 3.462,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.157,437 3.414,438 2,439 1,440 1.5,442 2.138,443 1,444 2.5,445 1,446 3.247,447 1.962,448 1,449 1.5,451 2.136,452 0.958,453 2.085,454 1,455 3.247,456 1.951,457 0.972,458 1.042,460 2.136,461 0.946,462 17.4,463 0.483,464 0.821,465 0.023,466 45,467 1.25,468 23.5,469 0.653,470 21.5,471 0.597,472 33.892,473 0.941,474 39,475 0.582,476 36.84,477 1.023,478 8.617,479 0.239,480 8.82,481 0.245,482 0.077,483 0.048,484 0.23,487 0.609,488 1.123,489 0.852,490 1.132,491 0.667,492 0.968,493 0.726,494 1.146,495 1.113,496 1.185,497 0.545,498 1.105,499 1.095,500 1.057,501 1.056,502 1.068,503 1.081,504 1.06,505 0.994,506 1.012,507 1.104,508 1.061,509 0.867,510 1.013,511 1.021,512 1.027,513 1.127,514 1.068,515 0.97,516 1.019,517 1.05,518 0.911,519 0.995,520 0.923,521 1.031,522 0.969,523 0.916,524 1.046,525 1.043,526 1.062,527 0.841,528 1.049,529 1.124,530 0.928,531 1.077,532 0.964,533 1.003,534 0.946,535 6.5,536 0.357,537 3.778,538 2.889,539 1.704,540 1.133,541 0.813,542 0.484,543 0.323,544 0.293,545 20428,546 57137,547 2.066,548 46.3,549 6,550 19,552 2,553 1,554 2,556 1,558 1.777,559 1.955,560 3.761,561 -0.41,567 100.357,568 1.498,569 3.529,570 4.766,571 5.417,572 5.618,573 5.618,574 3.256,575 4.725,576 5.132,577 3.98,578 2507.27,579 9.044,580 41630.4,585 406.428,586 1.391,587 5.105,588 0.167,589 0.008,590 0.071,591 0.055,592 0.033,593 0.022,594 0.017,595 0.011,596 0.007,597 0.007,598 0.397,599 0.17,600 0.75,601 1.501,602 198.644,603 0.043,604 -0.006,605 0.161,606 0.014,607 -0.086,608 0.046,609 0.116,610 -0.075,611 -0.094,612 -0.098,613 0.181,614 -0.111,615 -0.098,616 -0.063,617 -0.057,618 -0.054,619 -0.13,620 -0.073,621 0.039,622 -0.02,623 -0.023,624 -0.019,625 0.028,626 -0.021,627 -0.029,628 -0.031,629 -0.054,630 -0.035,631 -0.015,632 -0.026,633 -0.074,634 0.068,635 -0.018,636 0.044,637 -0.073,638 0.015,639 -0.051,640 -0.066,641 -0.032,642 -0.053,643 -0.016,644 -0.046,645 -0.109,646 0.049,647 -0.037,648 0.037,649 -0.063,650 0.044,651 4.328,652 6.215,653 0.639,654 50.025,655 1.001,656 1.115,657 3.343,658 11.173,659 0.677,660 3.689,661 3.989,662 4.22,663 4.5,664 4.7,665 4.71,666 4.852,667 4.949,668 5.017,669 5.13,670 8.443,671 0.637,672 505.68,673 3.689,674 5.22,675 6.052,676 6.929,677 7.788,678 8.678,679 9.554,680 10.453,681 11.34,682 12.245,683 1.5,693 1,699 13,700 1,704 4,706 18,724 67,726 22,727 2,728 39,730 70,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 4,760 1,761 3,763 2,765 1,772 31,773 6,774 1,775 7,776 1,779 1,784 1,785 5,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,834 1,840 36,843 1,845 1,846 6,848 1,850 3,857 1,862 7.5,864 1,865 3,866 1,869 18.417,870 11.483,871 7.986,872 4.01,874 2.855,875 1.361,876 0.954,877 8.823,878 10.757,879 3.97,880 4.516,881 4.933,882 5.454,883 5.94,884 5.996,885 6.382,886 6.674,887 6.869,888 7.147,889 0.9,890 53,891 13.635,893 6.102,894 7.882,895 25.675,897 21.691,899 2.382,900 85.75,904 353.133,905 176.614,906 16.786,908 123.141,910 6.046,911 170.568,912 476.274,913 16.786,915 15.63,916 129.237,917 164.379,918 30.837,920 329.591,922 353.133,923 187.354,924 123.141,925 6.046,927 341.362,928 123.912,929 11,931 33.725,932 117.891,933 41.784,935 353.133,936 139.927,937 176.614,939 6.046,940 353.133,941 29.282,942 141.286,944 139.927,945 353.133,946 139.927,947 176.614,949 0.57,950 0.316,951 0.175,952 0.098,953 23,954 10,955 0.157,956 11,958 1,959 4.71,960 331.118,962 23,963 176.117,967 1,968 25.973,969 12.23,970 6.99,972 139.927,973 25.112,974 4.144,978 3.939,980 42.683,981 669.674,982 52,986 -3.411,987 37.142,989 3.786,991 -0.83,994 67.069,995 74.693,996 0.247,997 0.582,998 0.786,999 0.893,1000 0.926,1001 0.926,1002 5.196,1003 1.761,1004 6.038,1005 4.784,1006 4.673,1007 5.204,1008 3.515,1009 6.864,1010 4.595,1011 6.391,1012 1.63,1013 7.602,1014 4.48,1015 4.29,1016 5.056,1017 2.243,1018 8.03,1019 4.095,1020 7.704,1021 1.34,1022 9.291,1023 3.484,1024 6.297,1025 7.378,1026 5.6,1027 11.132,1028 6.099,1029 9.06,1030 1.173,1031 11.063,1032 2.989,1033 6.804,1034 8.099,1035 4.112,1036 13.237,1037 6.439,1038 10.458,1039 1,1040 12.893,1041 2.718,1042 8.294,1043 9.922,1044 7.879,1045 15.96,1046 7.913,1047 11.888,1048 1,1049 14.766,1050 2.275,1051 9.218,1052 11.049,1053 5.889,1054 18.404,1055 8.656,1056 13.345,1057 1,1058 16.671,1059 2.138,1060 10.531,1061 12.683,1062 10.213,1063 21.041,1064 9.914,1065 3.563,1066 0.972,1067 18.601,1068 2.136,1069 11.648,1070 14.008,1071 7.625,1072 23.601,1073 10.858,1074 2.87,1075 13.717,1076 20.55,1077 2.136,1078 12.909,1079 15.566,1080 12.566,1081 26.221,1082 12.03,1083 2.548,1084 9.055,1085 22.515,1086 4.608,1087 14.109,1088 16.989,1089 9.342,1090 28.82,1091 13.074,1092 2.47,1093 8.573,1094 24.491,1095 3.889,1096 15.362,1097 18.519,1098 14.928,1099 31.437,1100 14.216,1101 2.374,1102 7.693,1103 26.478,1104 3.443,1105 16.599,1106 19.991,1107 11.051,1108 34.049,1109 15.308,1110 2.235,1111 6.893,1112 28.472,1113 3.303,1114 17.855,1115 21.511,1116 17.295,1117 36.666,1118 16.443,1119 1.845,1120 5.184,1121 30.473,1122 2.729,1123 19.108,1124 23.008,1125 12.755,1126 39.282,1127 17.559,1128 19632,1129 32969,1130 26.118,1131 45.347,1132 57.922,1133 60.308,1134 58.446,1135 57.583,1136 57.483,1137 75.01,1138 13.528,1139 161.204,1140 55.418,1141 5.842,1142 7.304,1143 7.4,1144 5.588,1145 5.563,1146 7.608,1147 6.545,1148 21.63,1149 5.176,1150 16.621,1151 1.485,1152 1.546,1153 1.499,1154 1.476,1155 1.474,1156 1.923,1157 0.347,1158 4.133,1159 1.421,1160 4.15,1161 4.135,1162 4.755,1163 4.147,1164 7.713,1165 4.052,1166 3.996,1167 4.016,1168 3.949,1169 3.957,1170 7.474,1171 3.945,1172 3.784,1173 3.823,1174 3.77,1175 3.701,1176 6.999,1177 3.695,1178 3.76,1179 3.799,1180 3.689,1181 3.674,1182 6.351,1183 3.662,1184 3.752,1185 3.777,1186 3.652,1187 3.652,1188 4.898,1189 3.629,1190 3.532,1191 3.558,1192 3.47,1193 3.373,1194 4.843,1195 3.355,1196 3.32,1197 3.323,1198 3.281,1199 3.131,1200 4.657,1201 3.127,1202 3.188,1203 3.227,1204 3.065,1205 3.023,1206 4.467,1207 3.019,1208 0.125,1209 0.136,1210 0.194,1211 0.114,1212 0.091,1213 4.89,1214 0.118,1215 5.304,1216 0.084,1217 7.577,1218 0.352,1219 4.454,1220 0.081,1221 3.563,1222 4.608,1223 3.272,1224 13.717,1225 3.176,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.408,1231 2.073,1232 1.925,1233 1.926,1234 2.027,1235 2.015,1236 1.248,1237 2.042,1238 1.789,1239 1.761,1240 1.943,1241 1.92,1242 1.21,1243 1.944,1244 1.765,1245 1.727,1246 1.917,1247 1.876,1248 1.15,1249 1.893,1250 1.66,1251 1.667,1252 1.82,1253 1.791,1254 1.004,1255 1.829,1256 1.594,1257 1.554,1258 1.638,1259 1.745,1260 0.947,1261 1.777,1262 1.35,1263 1.313,1264 1.489,1265 1.563,1266 0.772,1267 1.566,1268 1.153,1269 1.11,1270 1.392,1271 1.363,1272 0.592,1273 1.372,1274 4.369,1276 5.673,1277 2.398,1278 7.168,1279 4.949,1280 8.754,1281 7.209,1282 10.397,1289 8.799,1290 2.134,1292 6.243,1294 -1.308,1300 42.684,1301 100.357,1302 236.413,1303 319.355,1304 362.918,1305 376.428,1306 376.428,1307 95.919,1308 7.902,1309 93.56,1310 101.94,1311 23,1312 12.768,1313 4.524,1314 3.807,1315 62.013,1316 172,1317 202,1318 0.164,1319 265.08,1320 472.54,1321 638.555,1322 31197,1324 25.382,1325 0.705,1326 0.58,1327 25.632,1328 20.887,1329 17.437,1330 0.447,1331 0.356,1332 12.223,1333 16.235,1334 11.815,1335 9.752,1336 18.259,1337 13.896,1338 15.682,1339 0.296,1340 0.212,1341 16.945,1342 11.261,1343 12.138,1344 0.181,1345 0.13,1346 13.208,1347 8.735,1348 10.338,1349 0.116,1350 0.081,1351 11.673,1352 7.19,1353 8.368,1354 0.077,1355 0.046,1356 9.504,1357 5.059,1358 0.262,1359 116.399,1360 0.196,1361 33.417,1362 0.44,1363 184,1364 537.597,1365 233.659,1366 537.368,1367 709.76,1368 496,1369 212,1370 470.049,1371 271.545,1372 509.3,1373 732.65,1374 477,1375 6.699} {0 CHEMBL63090,1 1.716,2 12.581,3 4.424,4 19.573,5 120.774,6 8.5,7 0.545,8 4.072,9 4.161,10 3.871,11 3.704,12 5.195,13 3.651,14 4.593,15 4.728,16 4.152,17 4.082,18 5.957,19 4.002,20 4.867,21 5.043,22 4.151,23 4.222,24 5.992,25 4.097,26 4.94,27 5.155,28 4.028,29 4.158,30 6.046,31 4.032,32 4.837,33 5.033,34 4.092,35 4.131,36 5.944,37 4.015,38 4.905,39 5.124,40 4.142,41 4.146,42 6.046,43 4.029,44 4.895,45 5.124,46 4.041,47 4.121,48 5.938,49 3.999,50 4.874,51 5.084,52 3.998,53 4.076,54 6.003,55 3.958,56 0.12,57 0.737,58 11.816,59 5.401,60 23.442,61 6.093,62 0.43,63 1.177,64 19.647,65 9.002,66 78.287,67 10.802,68 0.402,69 1.478,70 33.864,71 12.907,72 72.14,73 14.939,74 0.591,75 1.542,76 39.153,77 13.452,78 105.083,79 15.843,80 0.406,81 1.42,82 30.724,83 11.672,84 73.811,85 14.092,86 0.559,87 1.49,88 35.758,89 12.934,90 89.814,91 16.181,92 0.41,93 1.49,94 32.891,95 12.497,96 73.989,97 15.842,98 0.56,99 1.454,100 37.933,101 12.55,102 99.425,103 14.38,104 29,105 45,106 0.282,107 0.591,108 0.754,109 0.864,110 0.878,111 0.885,112 3.471,113 1.06,114 -4.17,115 -4.11,116 -3.89,118 42.6,120 4,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 20,181 1,186 7,191 4,194 19,195 1,198 8,203 5,206 13,207 2,210 6,215 4,218 12,219 2,222 10,227 6,229 10,230 3,234 10,239 5,242 10,243 1,247 8,252 2,253 1,255 10,256 1,259 5,260 1,262 2,263 1,264 2,267 11,268 1,270 1873,271 20.402,272 20.402,273 20.402,274 20.402,275 20.402,276 17.709,277 20.353,278 12.26,279 20.779,280 16.328,281 16.328,282 16.328,283 16.328,284 16.328,285 12.219,286 21.298,287 5.909,288 16.997,289 4.039,290 2.158,291 1.163,292 0.495,293 0.407,294 0.37,295 4.152,297 1,299 1,300 1,301 817,302 4.243,306 351.291,313 1.788,314 41.768,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 67.333,326 390,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.222,337 3.6,338 5.833,339 3.855,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.507,349 2.515,350 3.435,352 7.187,353 2.495,354 3.835,355 2.898,356 5.15,357 3.315,358 2.401,359 3.393,361 6.323,362 2.253,363 3.568,364 2.75,365 5.037,366 3.263,367 2.262,368 2.757,370 6.105,371 2.158,372 3.351,373 2.403,374 4.86,375 3.029,376 2.033,377 2.601,379 5.594,380 2.015,381 3.297,382 2.155,383 4.727,384 2.921,385 1.925,386 2.535,388 4.973,389 1.911,390 3.08,391 1.883,392 4.586,393 2.576,394 1.64,395 2.289,397 4.754,398 1.463,399 2.849,400 1.486,401 3.589,402 2.368,403 1.401,404 2,406 3.025,407 1.353,408 2.5,409 1.297,410 3.516,411 2.05,412 1.087,413 1.5,415 2.44,416 1.039,417 2.5,418 1.054,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.254,427 1,428 3.247,429 1.956,430 1,431 1.215,433 2.136,434 0.953,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.616,446 2.979,447 0.991,453 1.138,454 0.419,455 2.865,456 0.9,457 -0.062,458 -0.07,460 -0.157,461 -0.056,462 15.181,463 0.49,464 0.857,465 0.028,466 41,467 1.323,468 22.5,469 0.726,470 18.5,471 0.597,472 25.835,473 0.833,474 33.419,475 0.619,476 32.455,477 1.047,478 7.992,479 0.258,480 6.823,481 0.22,482 0.135,483 0.055,484 0.231,487 0.58,488 1.177,489 0.719,490 1.092,491 0.68,492 0.898,493 0.485,494 1.061,495 0.788,496 0.97,497 0.458,498 0.998,499 0.93,500 1.152,501 1.149,502 1.186,503 0.9,504 1.15,505 1.09,506 0.972,507 1.044,508 1,509 1.101,510 0.999,511 0.887,512 1.099,513 0.695,514 0.943,515 0.956,516 1.074,517 0.606,518 1.015,519 0.74,520 0.986,521 0.619,522 0.969,523 0.763,524 0.994,525 0.708,526 0.885,527 0.768,528 0.946,529 1.179,530 1.024,531 1.137,532 1.079,533 1.131,534 1.011,535 8,536 0.256,537 2.889,538 2,539 1.267,540 0.965,541 0.69,542 0.462,543 0.353,544 0.314,545 13115,546 44931,547 2.004,548 42.6,549 4,550 11,552 2,553 2,554 2,555 2,558 1.739,559 1.869,560 3.599,561 0.225,563 1,567 92.68,568 1.716,569 3.596,570 4.592,571 5.259,572 5.347,573 5.385,574 3.011,575 4.503,576 4.924,577 3.783,578 1759.18,579 8.618,580 26370.6,585 310.764,586 1.525,587 4.873,588 0.242,589 0.008,590 0.064,591 0.047,592 0.032,593 0.025,594 0.017,595 0.012,596 0.01,597 0.009,598 0.466,599 0.33,600 1,601 1.064,602 163.201,603 0.034,604 -0.036,605 0.124,606 -0.019,607 -0.112,608 0.045,609 0.252,610 0.023,611 0.009,612 -0.003,613 0.262,614 -0.059,615 -0.115,616 -0.137,617 -0.164,618 -0.141,619 -0.082,620 -0.157,621 -0.147,622 0.01,623 -0.101,624 -0.004,625 -0.108,626 -0.005,627 -0.076,628 -0.109,629 0.036,630 -0.034,631 -0.082,632 -0.106,633 0.156,634 -0.053,635 0.135,636 -0.03,637 0.128,638 0.044,639 -0.005,640 -0.027,641 0.096,642 0.034,643 -0.013,644 0.056,645 -0.165,646 -0.016,647 -0.13,648 -0.051,649 -0.132,650 -0.026,651 4.549,652 5.46,653 0.581,654 34.341,655 1.012,656 1.116,657 2.942,658 8.654,659 0.698,660 3.526,661 3.829,662 3.97,663 4.159,664 4.357,665 4.394,666 4.419,667 4.489,668 4.564,669 4.635,670 7.547,671 0.661,672 459,673 3.526,674 5.056,675 5.861,676 6.718,677 7.542,678 8.403,679 9.235,680 10.1,681 10.936,682 11.802,683 3.7,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 54,726 21,727 2,728 33,730 56,731 23,733 17,734 5,735 7,739 3,740 3,741 1,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 5,847 1,861 1,862 7.4,864 1,865 3,869 16.583,870 9.376,871 6.792,872 3.094,874 2.92,875 1.403,876 0.963,877 7.941,878 10.171,879 3.829,880 4.425,881 4.842,882 5.332,883 5.829,884 5.948,885 6.125,886 6.349,887 6.664,888 6.959,889 1,890 43,891 11.698,893 5.17,894 8.039,895 21.572,897 17.651,899 2.539,900 78.694,903 1,904 247.193,905 140.136,906 33.191,907 39.149,908 112.141,910 5.807,911 134.328,912 398.483,913 33.191,915 12.244,916 107.499,917 153.379,918 35.888,920 223.651,921 39.149,922 247.193,923 167.519,924 112.141,925 44.956,927 223.651,928 135.683,931 46.744,932 103.99,933 61.742,935 247.193,936 145.332,937 179.284,939 5.807,940 247.193,941 30.947,942 103.381,943 16.405,944 168.075,945 247.193,946 145.332,947 179.284,949 0.579,950 0.306,951 0.152,952 0.088,953 19,954 9,955 0.179,956 10,958 1,959 4.255,960 260.118,962 18,963 147.58,967 1,968 23.112,969 10.651,970 7.266,972 145.332,973 19.311,974 4.133,978 4.571,980 59.088,981 571.809,982 45,986 -3.632,987 35.898,991 -0.852,994 54.633,995 60.265,996 0.298,997 0.625,998 0.798,999 0.914,1000 0.929,1001 0.936,1002 5.047,1003 1.64,1004 5.861,1005 4.973,1006 4.511,1007 5.112,1008 2.35,1009 6.637,1010 4.435,1011 6.272,1012 1.401,1013 7.405,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 4.025,1020 7.601,1021 1.087,1022 9.064,1023 3.025,1024 6.12,1025 7.365,1026 3.64,1027 10.719,1028 5.952,1029 8.97,1030 1,1031 10.798,1032 2.44,1033 6.608,1034 8.166,1035 4.112,1036 12.731,1037 6.306,1038 10.375,1039 1,1040 12.588,1041 2.275,1042 8.054,1043 9.967,1044 5.203,1045 15.346,1046 7.751,1047 11.807,1048 0.555,1049 14.42,1050 2.136,1051 8.918,1052 11.144,1053 5.889,1054 17.698,1055 8.472,1056 13.263,1058 16.287,1059 1.251,1060 10.19,1061 12.776,1062 6.849,1063 20.232,1064 9.713,1065 3.374,1066 -0.062,1067 18.181,1069 11.236,1070 14.14,1071 7.625,1072 22.696,1073 10.622,1074 2.856,1075 12.404,1076 20.096,1077 -0.157,1078 12.449,1079 15.708,1080 8.526,1081 25.215,1082 11.775,1083 2.515,1084 8.482,1085 22.029,1086 4.697,1087 13.581,1088 17.162,1089 9.342,1090 27.714,1091 12.779,1092 2.401,1093 7.187,1094 23.974,1095 3.858,1096 14.779,1097 18.707,1098 10.216,1099 30.23,1100 13.896,1101 2.262,1102 6.323,1103 25.93,1104 3.435,1105 15.95,1106 20.206,1107 11.051,1108 32.742,1109 14.949,1110 2.033,1111 6.105,1112 27.893,1113 3.393,1114 17.149,1115 21.746,1116 11.912,1117 35.258,1118 16.052,1119 1.925,1120 5.594,1121 29.862,1122 2.757,1123 18.339,1124 23.267,1125 12.755,1126 37.774,1127 17.129,1128 12858,1129 23991,1130 21.553,1131 37.71,1132 48.484,1133 50.135,1134 49.19,1135 48.38,1136 48.099,1137 64.833,1138 6.042,1139 133.898,1140 46.219,1141 5.748,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 16.834,1151 1.469,1152 1.519,1153 1.491,1154 1.466,1155 1.458,1156 1.965,1157 0.183,1158 4.058,1159 1.401,1160 4.085,1161 4.079,1162 4.736,1163 4.069,1164 7.717,1165 3.992,1166 3.991,1167 4.001,1168 3.946,1169 3.945,1170 7.474,1171 3.925,1172 3.827,1173 3.867,1174 3.924,1175 3.735,1176 6.999,1177 3.736,1178 3.666,1179 3.686,1180 3.759,1181 3.583,1182 6.351,1183 3.521,1184 3.577,1185 3.592,1186 3.496,1187 3.412,1188 4.932,1189 3.411,1190 3.344,1191 3.373,1192 3.254,1193 3.221,1194 4.9,1195 3.197,1196 3.154,1197 3.195,1198 3.145,1199 2.987,1200 4.684,1201 2.99,1202 2.93,1203 2.98,1204 3.038,1205 2.735,1206 4.267,1207 2.734,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.997,1227 1.98,1228 2.106,1229 2.075,1230 1.341,1231 2.095,1232 1.947,1233 1.95,1234 1.956,1235 2.009,1236 1.179,1237 2.046,1238 1.813,1239 1.777,1240 1.942,1241 1.932,1242 1.095,1243 1.939,1244 1.588,1245 1.557,1246 1.797,1247 1.778,1248 1.065,1249 1.791,1250 1.487,1251 1.473,1252 1.653,1253 1.677,1254 0.818,1255 1.686,1256 1.287,1257 1.271,1258 1.386,1259 1.434,1260 0.577,1261 1.48,1262 1.114,1263 1.072,1264 1.181,1265 1.33,1266 0.482,1267 1.335,1268 0.886,1269 0.828,1270 1.179,1271 1.142,1272 0.248,1273 1.145,1274 4.205,1276 5.509,1278 6.991,1280 8.553,1282 10.158,1285 5.823,1289 9.012,1290 1.824,1291 2.607,1300 35.711,1301 92.68,1302 194.207,1303 247.97,1304 284.009,1305 288.764,1306 290.764,1307 82.679,1308 7.251,1309 96.36,1310 104.74,1311 18,1312 12.355,1313 4.459,1314 3.7,1315 58.064,1316 137,1317 147,1318 0.197,1319 228.978,1320 401.16,1321 550.465,1322 13874,1323 1.9,1324 22.269,1325 0.718,1326 0.592,1327 23.019,1328 18.364,1329 14.815,1330 0.449,1331 0.353,1332 9.861,1333 13.318,1334 9.479,1335 7.84,1336 15.924,1337 11.655,1338 13.854,1339 0.308,1340 0.209,1341 15.585,1342 9.395,1343 10.098,1344 0.194,1345 0.124,1346 11.494,1347 6.43,1348 7.922,1349 0.126,1350 0.07,1351 8.944,1352 4.404,1353 6.286,1354 0.082,1355 0.041,1356 7.244,1357 3.193,1358 0.314,1359 103.355,1360 0.215,1361 29.499,1362 0.529,1363 156,1364 500.398,1365 219.911,1366 535.891,1367 695.04,1368 490,1369 175,1370 436.182,1371 237.974,1372 490.579,1373 700.1,1374 458,1375 7.409} {0 CHEMBL63904,1 1.724,2 14.067,3 3.954,4 15.631,5 115.041,6 7.983,7 0.387,8 4.113,9 4.211,10 3.85,11 3.664,12 5.185,13 3.61,14 4.669,15 4.824,16 4.101,17 4.026,18 5.967,19 3.938,20 4.97,21 5.188,22 4.093,23 4.157,24 6.004,25 4.018,26 5.004,27 5.236,28 3.947,29 4.1,30 6.026,31 3.955,32 5.003,33 5.254,34 3.961,35 4.065,36 5.951,37 3.921,38 4.977,39 5.214,40 3.976,41 4.042,42 6.057,43 3.913,44 4.938,45 5.179,46 3.855,47 4.024,48 5.961,49 3.875,50 4.891,51 5.134,52 3.871,53 4.013,54 5.872,55 3.863,56 0.134,57 0.787,58 14.206,59 5.915,60 24.642,61 7.043,62 0.512,63 1.22,64 24.553,65 9.859,66 87.925,67 12.201,68 0.644,69 1.483,70 41.987,71 13.68,72 92.812,73 16.822,74 0.702,75 1.486,76 43.245,77 13.489,78 114.127,79 16.881,80 0.733,81 1.455,82 43.838,83 13.116,84 111.377,85 16.784,86 0.868,87 1.397,88 41.079,89 12.506,90 131.74,91 16.12,92 0.842,93 1.381,94 37.695,95 12.087,96 118.225,97 15.784,98 0.644,99 1.358,100 39.648,101 12.084,102 88.122,103 15.37,104 29,105 40,106 0.284,107 0.601,108 0.78,109 0.886,110 0.886,111 0.886,112 3.439,113 1.135,114 -3.47,115 -3.45,116 -3.3,118 36.8,120 6,121 1,124 2,140 6,142 3,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 4,175 3,177 2,180 10,181 1,185 1,186 8,191 4,194 9,195 1,198 9,203 4,206 4,207 2,210 7,215 3,218 5,219 1,222 7,223 1,227 4,229 7,230 1,233 1,234 5,237 1,239 2,242 8,247 6,250 1,253 1,255 8,256 1,259 4,260 1,262 1,263 1,264 1,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 14.591,278 12.194,279 20.282,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 9.662,287 5.838,288 16.201,289 4.109,290 2.186,291 1.101,292 0.456,293 0.456,294 0.456,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 44.616,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 66.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.597,338 5.37,339 3.537,340 2.562,341 3.444,342 0.86,343 7.047,344 2.52,345 3.835,346 2.898,347 5.313,348 3.436,349 2.477,350 3.393,352 6.896,353 2.344,354 3.612,355 2.877,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.47,365 4.733,366 3.14,367 2.135,368 2.427,370 5.057,371 2.119,372 3.085,373 1.967,374 4.611,375 2.686,376 1.732,377 2.292,379 4.77,380 1.635,381 2.936,382 1.79,383 3.745,384 2.513,385 1.572,386 2.101,388 3.356,389 1.438,390 2.651,391 1.603,392 3.665,393 2.455,394 1.504,395 1.647,397 3.199,398 1.403,399 2.5,400 1.313,401 3.414,402 2.048,403 1.095,404 1.5,406 2.37,407 1.035,408 2.5,409 1.138,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.813,430 0.838,431 0.877,433 1.81,434 0.811,435 1.544,436 0.891,437 2.861,438 1.39,439 0.42,440 0.448,442 0.924,443 0.402,444 1.12,445 0.57,446 2.693,447 0.91,448 -0.031,449 -0.033,451 -0.072,452 -0.029,453 1.082,454 0.386,455 2.543,456 0.621,457 -0.222,458 -0.273,460 -0.488,461 -0.149,462 14.514,463 0.484,464 0.721,465 0.024,466 35,467 1.167,468 17,469 0.567,470 18,471 0.6,472 28.19,473 0.94,474 34.686,475 0.609,476 25.999,477 0.867,478 6.468,479 0.216,480 7.897,481 0.263,482 0.141,483 0.057,484 0.172,487 0.645,488 1.383,489 0.755,490 1.246,491 0.68,492 1.034,493 0.638,494 1.217,495 0.829,496 1.086,497 0.466,498 1.11,499 0.957,500 1.048,501 1.049,502 1.07,503 0.832,504 1.025,505 1.066,506 1.044,507 1.031,508 1.055,509 1.069,510 1.05,511 0.998,512 0.907,513 0.722,514 0.831,515 0.985,516 0.909,517 0.977,518 0.937,519 0.821,520 0.92,521 0.991,522 0.978,523 0.914,524 0.923,525 0.832,526 0.851,527 0.966,528 0.98,529 0.914,530 0.944,531 1.023,532 0.997,533 0.867,534 0.973,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 44822,547 1.951,548 47.4,549 7,550 10,552 2,553 2,554 2,555 4,558 1.726,559 1.827,560 3.758,561 0.276,563 1,567 98.244,568 1.724,569 3.647,570 4.732,571 5.377,572 5.377,573 5.377,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.022,604 -0.108,605 0.131,606 -0.058,607 -0.09,608 0.014,609 0.181,610 -0.081,611 0.001,612 -0.065,613 0.268,614 -0.116,615 -0.071,616 -0.047,617 -0.048,618 -0.025,619 -0.016,620 -0.018,621 -0.13,622 -0.077,623 -0.096,624 -0.07,625 -0.087,626 -0.066,627 -0.09,628 0.029,629 0.082,630 0.078,631 -0.088,632 0.061,633 -0.002,634 -0.012,635 0.035,636 -0.013,637 -0.025,638 -0.008,639 0.002,640 0.021,641 -0.016,642 0.049,643 -0.069,644 -0.012,645 -0.069,646 0.049,647 -0.055,648 0.003,649 -0.071,650 0.019,651 4.473,652 5.253,653 0.4,654 34.133,655 1.013,656 1.128,657 2.242,658 5.027,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.622,672 455.02,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 57,726 15,727 1,728 31,730 58,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 9,755 1,756 3,760 1,761 3,765 1,769 1,772 27,773 7,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 8,847 1,848 1,850 1,861 1,862 8.8,864 1,865 3,867 1,869 16.417,870 9.626,871 6.792,872 3.469,874 1.666,875 1.25,876 0.916,877 10.417,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.336,893 4.889,894 8.068,895 20.977,897 16.807,899 2.568,900 77.028,903 1,904 294.278,905 113.87,906 33.191,907 39.149,908 123.141,910 5.807,911 108.062,912 456.567,913 33.191,915 21.905,916 79.07,917 153.379,918 39.389,920 270.735,921 39.149,922 294.278,923 141.253,924 123.141,925 44.956,927 247.193,928 170.226,931 56.405,932 68.062,933 61.742,935 294.278,936 156.332,937 153.018,939 5.807,940 294.278,941 33.11,942 74.952,943 16.405,944 179.075,945 294.278,946 156.332,947 153.018,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.241,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.451,969 12.781,970 9.701,972 156.332,973 12.939,974 3.993,978 1.346,980 59.088,981 603.628,982 40,986 -3.556,987 35.423,991 -0.816,994 57.727,995 64.305,996 0.295,997 0.625,998 0.811,999 0.922,1000 0.922,1001 0.922,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.402,1009 6.447,1010 4.282,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.756,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.657,1027 10.542,1028 5.717,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.016,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.206,1045 15.247,1046 7.467,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.167,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.408,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.313,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.466,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.476,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.598,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.66,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.772,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.86,1128 12899,1129 24230,1130 20.049,1131 37.688,1132 44.316,1133 46.138,1134 45.114,1135 44.497,1136 44.219,1137 56.516,1138 6.402,1139 117.127,1140 41.766,1141 5.81,1142 6.683,1143 7.095,1144 5.343,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.488,1153 1.455,1154 1.435,1155 1.426,1156 1.823,1157 0.207,1158 3.778,1159 1.347,1160 4.074,1161 4.054,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.889,1167 3.925,1168 3.925,1169 3.763,1170 7.474,1171 3.765,1172 3.804,1173 3.852,1174 3.814,1175 3.692,1176 6.999,1177 3.686,1178 3.676,1179 3.707,1180 3.688,1181 3.586,1182 6.351,1183 3.53,1184 3.535,1185 3.548,1186 3.445,1187 3.389,1188 4.966,1189 3.361,1190 3.438,1191 3.475,1192 3.314,1193 3.242,1194 4.925,1195 3.245,1196 3.16,1197 3.209,1198 3.159,1199 2.938,1200 4.429,1201 2.936,1202 2.932,1203 2.993,1204 3.008,1205 2.735,1206 4.273,1207 2.715,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.064,1229 2.029,1230 1.459,1231 2.069,1232 1.849,1233 1.805,1234 1.954,1235 1.993,1236 1.222,1237 2.013,1238 1.791,1239 1.751,1240 1.92,1241 1.935,1242 1.127,1243 1.937,1244 1.621,1245 1.578,1246 1.853,1247 1.805,1248 0.964,1249 1.827,1250 1.432,1251 1.427,1252 1.669,1253 1.663,1254 0.892,1255 1.663,1256 1.374,1257 1.343,1258 1.507,1259 1.562,1260 0.781,1261 1.601,1262 1.105,1263 1.052,1264 1.216,1265 1.35,1266 0.52,1267 1.371,1268 0.886,1269 0.821,1270 1.181,1271 1.177,1272 0.343,1273 1.179,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.789,1289 8.966,1290 4.496,1291 2.587,1292 5.662,1294 0.2,1300 35.48,1301 98.244,1302 207.868,1303 269.746,1304 306.475,1305 306.475,1306 306.475,1307 103.765,1308 6.671,1309 105.59,1310 113.97,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 229.965,1320 406.53,1321 552.874,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.608,1327 22.572,1328 18.239,1329 14.365,1330 0.463,1331 0.378,1332 9.898,1333 12.732,1334 9.57,1335 7.934,1336 15.475,1337 11.726,1338 12.817,1339 0.32,1340 0.229,1341 14.549,1342 9.175,1343 9.156,1344 0.208,1345 0.145,1346 10.552,1347 6.38,1348 6.609,1349 0.138,1350 0.087,1351 7.642,1352 4.198,1353 5.081,1354 0.092,1355 0.055,1356 6.042,1357 3.016,1358 0.35,1359 101.566,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 494.134,1365 209.454,1366 516.037,1367 659.87,1368 472,1369 155,1370 403.637,1371 221.352,1372 449.286,1373 639.64,1374 420,1375 8.554} {0 CHEMBL64005,1 1.662,2 14.067,3 4.952,4 24.525,5 118.15,6 7.679,7 0.387,8 4.133,9 4.24,10 3.839,11 3.711,12 5.166,13 3.64,14 4.697,15 4.864,16 4.089,17 4.091,18 5.947,19 3.978,20 5.017,21 5.25,22 4.082,23 4.234,24 5.99,25 4.07,26 5.078,27 5.33,28 3.938,29 4.183,30 6.042,31 4.011,32 5.049,33 5.312,34 3.956,35 4.147,36 5.946,37 3.975,38 5.049,39 5.307,40 3.969,41 4.125,42 6.061,43 3.964,44 5.001,45 5.262,46 3.836,47 4.095,48 5.912,49 3.925,50 4.957,51 5.208,52 3.874,53 4.066,54 5.932,55 3.904,56 0.103,57 0.817,58 15.336,59 6.198,60 21.844,61 7.692,62 0.417,63 1.292,64 25.993,65 10.528,66 83.32,67 13.546,68 0.404,69 1.609,70 43.38,71 14.804,72 81.415,73 18.818,74 0.569,75 1.636,76 46.216,77 14.72,78 108.321,79 19.035,80 0.51,81 1.58,82 44.834,83 14.269,84 96.066,85 18.77,86 0.708,87 1.535,88 43.952,89 13.904,90 123.147,91 18.503,92 0.516,93 1.5,94 39.933,95 13.264,96 97.764,97 17.668,98 0.519,99 1.455,100 41.843,101 12.93,102 91.826,103 16.599,104 29,105 40,106 0.272,107 0.57,108 0.745,109 0.874,110 0.885,111 0.885,112 3.439,113 1.17,114 -4.18,115 -4.12,116 -3.9,118 37.3,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 7,191 4,194 15,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 7,227 5,229 10,230 2,234 6,239 4,242 9,243 1,247 7,252 2,253 1,255 8,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 12.838,278 12.194,279 20.143,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 5.318,287 5.838,288 15.983,289 4.22,290 2.402,291 1.331,292 0.542,293 0.475,294 0.475,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 40.896,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 65.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.597,338 5.37,339 3.558,340 2.562,341 3.444,343 7.047,344 2.552,345 3.835,346 2.898,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.612,355 2.725,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.465,365 4.733,366 3.141,367 2.135,368 2.427,370 5.057,371 2.121,372 3.085,373 1.966,374 4.611,375 2.688,376 1.732,377 2.292,379 4.77,380 1.642,381 2.936,382 1.644,383 3.745,384 2.537,385 1.572,386 2.101,388 3.356,389 1.497,390 2.651,391 1.593,392 3.665,393 2.474,394 1.504,395 1.647,397 3.199,398 1.412,399 2.5,400 1.19,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.082,408 2.5,409 1.114,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.815,430 0.838,431 0.877,433 1.81,434 0.813,435 1.544,436 0.819,437 2.861,438 1.413,439 0.42,440 0.448,442 0.924,443 0.414,444 1.12,445 0.563,446 2.693,447 0.947,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.361,455 2.543,456 0.637,457 -0.222,458 -0.273,460 -0.488,461 -0.15,462 14.681,463 0.489,464 0.721,465 0.024,466 34,467 1.133,468 16.5,469 0.55,470 17.5,471 0.583,472 29.701,473 0.99,474 34.519,475 0.585,476 24.488,477 0.816,478 6.045,479 0.202,480 8.32,481 0.277,482 0.139,483 0.057,484 0.17,487 0.583,488 1.337,489 0.776,490 1.215,491 0.664,492 1.041,493 0.471,494 1.213,495 0.827,496 1.093,497 0.426,498 1.133,499 0.828,500 1.101,501 1.017,502 1.099,503 0.778,504 1.055,505 1.011,506 0.992,507 0.992,508 1.005,509 1.006,510 1.016,511 0.845,512 0.957,513 0.701,514 0.882,515 0.916,516 0.954,517 0.828,518 0.925,519 0.766,520 0.908,521 0.901,522 0.958,523 0.943,524 0.937,525 0.799,526 0.861,527 0.958,528 0.961,529 1.055,530 0.968,531 1.022,532 0.991,533 1.014,534 0.969,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 41766,547 1.951,548 49.2,549 13,550 8,552 2,553 2,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.243,567 98.087,568 1.662,569 3.48,570 4.552,571 5.34,572 5.408,573 5.408,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 347.076,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.044,604 -0.065,605 0.131,606 -0.027,607 -0.082,608 0.028,609 0.257,610 -0.072,611 0.004,612 -0.066,613 0.284,614 -0.119,615 -0.048,616 -0.093,617 -0.039,618 -0.055,619 -0.002,620 -0.04,621 -0.108,622 -0.024,623 -0.076,624 -0.033,625 -0.066,626 -0.038,627 -0.036,628 -0.009,629 0.08,630 0.034,631 -0.059,632 0.021,633 0.069,634 -0.005,635 0.07,636 -0.002,637 0.014,638 0.016,639 -0.085,640 0.002,641 0.002,642 0.039,643 -0.102,644 0.008,645 -0.115,646 0.013,647 -0.062,648 -0.005,649 -0.103,650 0.005,651 4.453,652 5.269,653 0.4,654 34.133,655 1.005,656 1.127,657 2.948,658 8.692,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.615,672 453.05,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 59,726 15,727 1,728 31,730 60,731 22,733 11,734 2,735 4,739 2,740 2,741 1,751 8,753 12,754 10,755 1,756 3,760 1,761 3,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 9,847 1,850 1,861 1,862 6.8,864 1,865 3,869 16.417,870 9.96,871 6.792,872 3.719,874 1.666,875 1.25,876 0.922,877 10.458,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.349,893 4.892,894 8.001,895 21.259,897 17.256,899 2.501,900 75.028,903 1,904 317.82,905 112.289,906 33.191,907 39.149,908 112.141,910 5.807,911 106.481,912 469.11,913 33.191,915 22.382,916 79.07,917 153.379,918 26.332,920 294.278,921 39.149,922 317.82,923 139.672,924 112.141,925 44.956,927 294.278,928 135.683,931 56.882,932 66.004,933 61.742,935 317.82,936 145.332,937 151.437,939 5.807,940 317.82,941 31.529,942 74.952,943 16.405,944 168.075,945 317.82,946 145.332,947 151.437,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.233,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.49,969 12.811,970 9.727,972 145.332,973 13.64,974 4.118,978 1.873,980 59.088,981 614.589,982 40,986 -3.536,987 35.487,991 -0.775,994 59.283,995 66.511,996 0.283,997 0.592,998 0.774,999 0.908,1000 0.919,1001 0.919,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.258,1009 6.447,1010 4.309,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.628,1027 10.542,1028 5.764,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.059,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.201,1045 15.247,1046 7.524,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.217,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.464,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.361,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.517,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.519,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.639,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.695,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.804,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.888,1128 12899,1129 23438,1130 20.049,1131 38.995,1132 44.316,1133 46.014,1134 45.114,1135 44.489,1136 44.219,1137 56.516,1138 4.682,1139 117.127,1140 42.336,1141 5.81,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.484,1153 1.455,1154 1.435,1155 1.426,1156 1.823,1157 0.151,1158 3.778,1159 1.366,1160 4.075,1161 4.057,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.92,1167 3.961,1168 3.926,1169 3.825,1170 7.474,1171 3.819,1172 3.807,1173 3.856,1174 3.836,1175 3.698,1176 6.999,1177 3.688,1178 3.677,1179 3.708,1180 3.688,1181 3.586,1182 6.351,1183 3.531,1184 3.536,1185 3.553,1186 3.446,1187 3.392,1188 4.93,1189 3.361,1190 3.472,1191 3.517,1192 3.336,1193 3.311,1194 4.893,1195 3.305,1196 3.222,1197 3.271,1198 3.163,1199 3.037,1200 4.279,1201 3.031,1202 2.948,1203 3.024,1204 3.065,1205 2.761,1206 4.227,1207 2.74,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.09,1229 2.036,1230 1.479,1231 2.072,1232 1.899,1233 1.856,1234 1.984,1235 2.011,1236 1.257,1237 2.039,1238 1.808,1239 1.761,1240 1.952,1241 1.944,1242 1.168,1243 1.96,1244 1.623,1245 1.58,1246 1.854,1247 1.806,1248 1.112,1249 1.828,1250 1.463,1251 1.428,1252 1.716,1253 1.681,1254 0.896,1255 1.688,1256 1.411,1257 1.399,1258 1.541,1259 1.583,1260 0.796,1261 1.624,1262 1.179,1263 1.133,1264 1.324,1265 1.395,1266 0.576,1267 1.419,1268 0.943,1269 0.867,1270 1.181,1271 1.189,1272 0.456,1273 1.221,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.798,1289 8.997,1290 6.49,1291 2.611,1294 0.325,1300 36.292,1301 98.087,1302 205.346,1303 268.547,1304 315.076,1305 319.076,1306 319.076,1307 103.586,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 235.561,1320 415.04,1321 566.528,1322 7051,1323 1.7,1324 21.822,1325 0.727,1326 0.618,1327 22.572,1328 18.538,1329 14.365,1330 0.463,1331 0.39,1332 10.293,1333 12.868,1334 9.934,1335 8.263,1336 15.475,1337 12.087,1338 12.817,1339 0.32,1340 0.24,1341 14.549,1342 9.603,1343 9.156,1344 0.208,1345 0.153,1346 10.552,1347 6.751,1348 6.609,1349 0.138,1350 0.095,1351 7.642,1352 4.563,1353 5.081,1354 0.092,1355 0.06,1356 6.042,1357 3.319,1358 0.35,1359 100.658,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 450.398,1365 205.911,1366 482.773,1367 616.99,1368 440,1369 155,1370 374.182,1371 217.974,1372 423.957,1373 601.52,1374 396,1375 8.301} {0 CHEMBL65161,1 1.419,2 14.5,3 5.576,4 31.087,5 139.476,6 7.287,7 0.486,8 4.238,9 4.343,10 3.821,11 3.87,12 5.291,13 3.803,14 4.779,15 4.928,16 4.139,17 4.273,18 5.816,19 4.162,20 5.067,21 5.274,22 4.187,23 4.395,24 5.949,25 4.251,26 5.121,27 5.352,28 4.139,29 4.394,30 5.96,31 4.227,32 5.105,33 5.338,34 4.106,35 4.381,36 5.959,37 4.217,38 5.096,39 5.342,40 4.063,41 4.351,42 5.925,43 4.184,44 5.059,45 5.295,46 4.016,47 4.323,48 5.863,49 4.144,50 5.045,51 5.294,52 3.951,53 4.263,54 5.858,55 4.095,56 0.049,57 0.82,58 14.233,59 6.784,60 12.016,61 8.58,62 0.255,63 1.404,64 28.655,65 12.107,66 44.346,67 15.005,68 0.303,69 1.806,70 39.769,71 15.934,72 47.527,73 20.175,74 0.348,75 1.917,76 44.388,77 17.036,78 50.835,79 21.62,80 0.295,81 1.885,82 42.673,83 16.856,84 51.81,85 21.539,86 0.344,87 1.871,88 41.017,89 16.191,90 50.575,91 21.285,92 0.256,93 1.8,94 40.941,95 16.306,96 41.755,97 20.896,98 0.344,99 1.756,100 40.862,101 15.551,102 50.572,103 19.937,104 12,105 48,106 0.225,107 0.545,108 0.748,109 0.854,110 0.887,111 0.887,112 3.56,113 1.046,114 -5.46,115 -5.34,116 -4.99,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 5,175 1,177 1,180 25,181 1,186 6,191 1,194 22,195 1,198 7,203 1,206 19,207 1,210 5,215 1,218 18,219 1,221 1,222 5,227 1,229 17,230 1,234 5,239 1,242 16,243 1,247 6,252 1,255 17,259 4,260 1,267 17,268 2,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 18.043,278 14.589,279 23.866,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.622,286 18.338,287 7,288 18.895,289 4.603,290 2.585,291 1.309,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 24.831,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.7,325 71.5,326 493,327 4.249,328 4.544,329 6.705,330 4.093,331 3.144,332 3.889,333 3.272,334 10.882,335 2.98,336 4.232,337 3.596,338 6.143,339 3.868,340 2.869,341 3.593,342 2.341,343 9.054,344 2.867,345 3.813,346 3.06,347 5.734,348 3.472,349 2.504,350 3.304,351 1.151,352 7.706,353 2.428,354 3.698,355 2.95,356 5.323,357 3.368,358 2.379,359 2.909,361 6.892,362 2.347,363 3.552,364 2.825,365 4.659,366 3.241,367 2.235,368 2.712,370 5.184,371 2.222,372 3.27,373 2.565,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.164,382 2.217,383 4.441,384 2.759,385 1.769,386 2.236,388 4.457,389 1.744,390 3.008,391 2.095,392 4.111,393 2.636,394 1.7,395 2.145,397 3.778,398 1.579,399 2.656,400 1.875,401 3.692,402 2.357,403 1.397,404 1.723,406 3.159,407 1.331,408 2.505,409 1.67,410 3.52,411 2.18,412 1.201,413 1.501,415 2.739,416 1.175,417 2.5,418 1.39,419 3.496,420 2.017,421 1.105,422 1.5,424 2.628,425 1,426 2.5,427 1.31,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.145,437 3.247,438 2,439 1,440 1.5,442 2.136,443 0.995,444 2.328,445 1,446 3.247,447 1.955,448 1,449 1.3,451 2.136,452 0.952,453 2.117,454 1,455 3.213,456 1.837,457 0.91,458 1.024,460 1.958,461 0.818,462 16.733,463 0.492,464 0.554,465 0.016,466 40.5,467 1.191,468 20.5,469 0.603,470 20,471 0.588,472 33.354,473 0.981,474 36.067,475 0.555,476 28.786,477 0.847,478 7.51,479 0.221,480 9.193,481 0.27,482 0.04,484 0.239,487 0.771,488 1.043,489 0.808,490 0.951,491 0.714,492 0.943,493 0.833,494 1.123,495 1.179,496 1.168,497 0.526,498 1.108,499 1.017,500 1.059,501 1.055,502 1.077,503 0.882,504 1.066,505 1.016,506 0.999,507 1.132,508 1.058,509 0.77,510 1.013,511 0.903,512 1.029,513 1.089,514 1.058,515 0.717,516 1.021,517 0.79,518 0.924,519 0.959,520 0.944,521 0.573,522 0.972,523 0.803,524 1.074,525 1.121,526 1.122,527 0.591,528 1.08,529 1.055,530 0.92,531 1.078,532 0.967,533 0.812,534 0.947,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47557,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 92.237,568 1.419,569 3.438,570 4.714,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.63,601 1.437,602 185.955,603 -0.023,604 0.014,605 0.057,606 0.053,607 -0.031,608 0.043,609 0.058,610 -0.07,611 -0.123,612 -0.095,613 0.138,614 -0.115,615 -0.056,616 -0.067,617 -0.043,618 -0.059,619 -0.078,620 -0.075,621 -0.068,622 -0.006,623 -0.037,624 -0.007,625 -0.055,626 -0.012,627 -0.044,628 -0.039,629 -0.038,630 -0.026,631 -0.013,632 -0.019,633 0.014,634 0.067,635 0.016,636 0.037,637 0.017,638 0.021,639 -0.023,640 -0.089,641 -0.061,642 -0.08,643 -0.013,644 -0.07,645 -0.083,646 0.063,647 -0.031,648 0.043,649 -0.059,650 0.046,651 2.4,652 3.714,653 0.676,654 47.298,655 0.991,656 1.112,657 4.231,658 17.905,659 0.684,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.635,672 473.68,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 4,774 1,775 5,776 1,779 1,784 1,785 3,795 1,801 1,802 3,818 1,822 2,830 1,831 1,832 4,833 1,834 1,840 34,845 1,846 6,848 1,849 1,850 3,857 1,862 4.6,864 1,865 1,866 1,869 16.667,870 11.15,871 7.694,872 3.954,874 2.898,875 1.371,876 0.95,877 9.094,878 10.706,879 3.892,880 4.376,881 4.842,882 5.331,883 5.826,884 5.888,885 6.25,886 6.52,887 6.795,888 7.044,889 0.9,890 47,891 12.596,893 5.255,894 7.637,895 24.613,897 20.387,899 2.137,900 72.667,904 353.133,905 202.788,906 16.786,908 78.828,910 32.22,911 170.568,912 431.961,913 16.786,915 15.63,916 123.191,917 120.066,918 30.837,920 361.81,922 353.133,923 187.354,924 78.828,925 32.22,927 341.362,928 79.599,929 11,931 33.725,932 117.891,933 35.738,934 32.22,935 353.133,936 95.614,937 202.788,940 353.133,941 61.502,942 141.286,944 95.614,945 353.133,946 95.614,947 202.788,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,964 1,968 24.412,969 12.666,970 7.141,972 95.614,973 26.953,974 4.325,978 4.854,980 42.683,981 651.535,982 48,987 10.714,989 4.318,991 -0.734,994 64.414,995 72.275,996 0.236,997 0.571,998 0.783,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 3.515,1009 6.632,1010 4.515,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.823,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 5.6,1027 10.535,1028 5.97,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.171,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.34,1044 7.879,1045 14.873,1046 7.716,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.984,1053 5.889,1054 16.982,1055 8.349,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.764,1062 10.213,1063 19.422,1064 9.63,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.659,1071 7.625,1072 21.682,1073 10.483,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.274,1080 12.566,1081 24.073,1082 11.643,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.328,1089 9.342,1090 26.397,1091 12.607,1092 2.379,1093 7.706,1094 23.305,1095 3.593,1096 14.139,1097 16.841,1098 14.928,1099 28.775,1100 13.716,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.998,1107 11.051,1108 31.129,1109 14.736,1110 1.846,1111 5.184,1112 27.019,1113 2.909,1114 16.345,1115 19.446,1116 17.295,1117 33.505,1118 15.823,1119 1.769,1120 4.695,1121 28.884,1122 2.712,1123 17.447,1124 20.671,1125 12.755,1126 35.873,1127 16.87,1128 17770,1129 28485,1130 25.424,1131 44.438,1132 54.239,1133 57.495,1134 54.508,1135 53.803,1136 53.837,1137 68.716,1138 13.528,1139 143.437,1140 52.077,1141 5.198,1142 6.544,1143 6.529,1144 5.227,1145 5.144,1146 6.889,1147 6.545,1148 18.009,1149 4.98,1150 12.033,1151 1.466,1152 1.554,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.366,1158 3.877,1159 1.407,1160 4.026,1161 4.052,1162 4.077,1163 3.976,1164 7.474,1165 3.966,1166 3.945,1167 3.974,1168 3.938,1169 3.899,1170 6.351,1171 3.873,1172 3.778,1173 3.82,1174 3.706,1175 3.701,1176 4.904,1177 3.694,1178 3.76,1179 3.797,1180 3.67,1181 3.659,1182 4.843,1183 3.651,1184 3.67,1185 3.71,1186 3.628,1187 3.559,1188 4.662,1189 3.539,1190 3.46,1191 3.49,1192 3.408,1193 3.306,1194 4.493,1195 3.299,1196 3.202,1197 3.244,1198 3.155,1199 3.057,1200 4.362,1201 3.051,1202 3.099,1203 3.148,1204 3.018,1205 2.902,1206 3.98,1207 2.888,1208 0.115,1209 0.123,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 4.544,1216 0.088,1217 6.705,1218 0.294,1219 4.093,1220 0.081,1221 3.144,1222 3.889,1223 3.272,1224 10.882,1225 2.98,1226 1.995,1227 1.973,1228 2.096,1229 2.06,1230 1.358,1231 2.073,1232 1.881,1233 1.848,1234 2.021,1235 1.99,1236 1.234,1237 2.002,1238 1.78,1239 1.749,1240 1.948,1241 1.914,1242 1.213,1243 1.93,1244 1.764,1245 1.72,1246 1.916,1247 1.874,1248 1.048,1249 1.89,1250 1.606,1251 1.561,1252 1.817,1253 1.777,1254 0.995,1255 1.791,1256 1.395,1257 1.36,1258 1.607,1259 1.598,1260 0.86,1261 1.605,1262 1.265,1263 1.234,1264 1.443,1265 1.43,1266 0.692,1267 1.457,1268 1.136,1269 1.09,1270 1.374,1271 1.299,1272 0.592,1273 1.344,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.815,1290 4.158,1292 6.456,1293 1.942,1294 0.865,1300 41.255,1301 92.237,1302 223.439,1303 306.381,1304 349.944,1305 363.454,1306 363.454,1307 64.629,1308 7.809,1309 59.42,1310 84.72,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 257.087,1320 454.96,1321 619.053,1322 28907,1324 23.589,1325 0.694,1326 0.59,1327 23.943,1328 20.071,1329 16.704,1330 0.451,1331 0.349,1332 11.858,1333 15.908,1334 11.495,1335 9.509,1336 17.158,1337 12.896,1338 14.205,1339 0.296,1340 0.204,1341 14.729,1342 9.784,1343 11.504,1344 0.189,1345 0.126,1346 12.258,1347 7.683,1348 9.43,1349 0.122,1350 0.077,1351 10.31,1352 5.951,1353 7.501,1354 0.081,1355 0.043,1356 8.203,1357 3.973,1358 0.251,1359 107.325,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 442.126,1365 201.641,1366 450.754,1367 605.62,1368 424,1369 194,1370 410.039,1371 224.412,1372 430.116,1373 622.59,1374 405,1375 7.367} {0 CHEMBL65187,1 1.662,2 14.067,3 4.952,4 24.525,5 118.15,6 7.679,7 0.387,8 4.133,9 4.24,10 3.839,11 3.711,12 5.166,13 3.64,14 4.697,15 4.864,16 4.089,17 4.091,18 5.947,19 3.978,20 5.017,21 5.25,22 4.082,23 4.234,24 5.99,25 4.07,26 5.078,27 5.33,28 3.938,29 4.183,30 6.042,31 4.011,32 5.049,33 5.312,34 3.956,35 4.147,36 5.946,37 3.975,38 5.049,39 5.307,40 3.969,41 4.125,42 6.061,43 3.964,44 5.001,45 5.262,46 3.836,47 4.095,48 5.912,49 3.925,50 4.957,51 5.208,52 3.874,53 4.066,54 5.932,55 3.904,56 0.103,57 0.817,58 15.336,59 6.198,60 21.844,61 7.692,62 0.417,63 1.292,64 25.993,65 10.528,66 83.32,67 13.546,68 0.404,69 1.609,70 43.38,71 14.804,72 81.415,73 18.818,74 0.569,75 1.636,76 46.216,77 14.72,78 108.321,79 19.035,80 0.51,81 1.58,82 44.834,83 14.269,84 96.066,85 18.77,86 0.708,87 1.535,88 43.952,89 13.904,90 123.147,91 18.503,92 0.516,93 1.5,94 39.933,95 13.264,96 97.764,97 17.668,98 0.519,99 1.455,100 41.843,101 12.93,102 91.826,103 16.599,104 29,105 40,106 0.272,107 0.57,108 0.745,109 0.874,110 0.885,111 0.885,112 3.439,113 1.17,114 -4.18,115 -4.12,116 -3.9,118 37.3,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 7,191 4,194 15,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 7,227 5,229 10,230 2,234 6,239 4,242 9,243 1,247 7,252 2,253 1,255 8,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 12.838,278 12.194,279 20.143,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 5.318,287 5.838,288 15.983,289 4.22,290 2.402,291 1.331,292 0.542,293 0.475,294 0.475,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 40.896,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 65.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.597,338 5.37,339 3.558,340 2.562,341 3.444,343 7.047,344 2.552,345 3.835,346 2.898,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.612,355 2.725,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.465,365 4.733,366 3.141,367 2.135,368 2.427,370 5.057,371 2.121,372 3.085,373 1.966,374 4.611,375 2.688,376 1.732,377 2.292,379 4.77,380 1.642,381 2.936,382 1.644,383 3.745,384 2.537,385 1.572,386 2.101,388 3.356,389 1.497,390 2.651,391 1.593,392 3.665,393 2.474,394 1.504,395 1.647,397 3.199,398 1.412,399 2.5,400 1.19,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.082,408 2.5,409 1.114,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.815,430 0.838,431 0.877,433 1.81,434 0.813,435 1.544,436 0.819,437 2.861,438 1.413,439 0.42,440 0.448,442 0.924,443 0.414,444 1.12,445 0.563,446 2.693,447 0.947,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.361,455 2.543,456 0.637,457 -0.222,458 -0.273,460 -0.488,461 -0.15,462 14.681,463 0.489,464 0.721,465 0.024,466 34,467 1.133,468 16.5,469 0.55,470 17.5,471 0.583,472 29.701,473 0.99,474 34.519,475 0.585,476 24.488,477 0.816,478 6.045,479 0.202,480 8.32,481 0.277,482 0.139,483 0.057,484 0.17,487 0.583,488 1.337,489 0.776,490 1.215,491 0.664,492 1.041,493 0.471,494 1.213,495 0.827,496 1.093,497 0.426,498 1.133,499 0.828,500 1.101,501 1.017,502 1.099,503 0.778,504 1.055,505 1.011,506 0.992,507 0.992,508 1.005,509 1.006,510 1.016,511 0.845,512 0.957,513 0.701,514 0.882,515 0.916,516 0.954,517 0.828,518 0.925,519 0.766,520 0.908,521 0.901,522 0.958,523 0.943,524 0.937,525 0.799,526 0.861,527 0.958,528 0.961,529 1.055,530 0.968,531 1.022,532 0.991,533 1.014,534 0.969,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 41766,547 1.951,548 49.2,549 13,550 8,552 2,553 2,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.243,567 98.087,568 1.662,569 3.48,570 4.552,571 5.34,572 5.408,573 5.408,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 347.076,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.044,604 -0.065,605 0.131,606 -0.027,607 -0.082,608 0.028,609 0.257,610 -0.072,611 0.004,612 -0.066,613 0.284,614 -0.119,615 -0.048,616 -0.093,617 -0.039,618 -0.055,619 -0.002,620 -0.04,621 -0.108,622 -0.024,623 -0.076,624 -0.033,625 -0.066,626 -0.038,627 -0.036,628 -0.009,629 0.08,630 0.034,631 -0.059,632 0.021,633 0.069,634 -0.005,635 0.07,636 -0.002,637 0.014,638 0.016,639 -0.085,640 0.002,641 0.002,642 0.039,643 -0.102,644 0.008,645 -0.115,646 0.013,647 -0.062,648 -0.005,649 -0.103,650 0.005,651 4.453,652 5.269,653 0.4,654 34.133,655 1.005,656 1.127,657 2.948,658 8.692,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.615,672 453.05,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 59,726 15,727 1,728 31,730 60,731 22,733 11,734 2,735 4,739 2,740 2,741 1,751 8,753 12,754 10,755 1,756 3,760 1,761 3,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 9,847 1,850 1,861 1,862 6.8,864 1,865 3,869 16.417,870 9.96,871 6.792,872 3.719,874 1.666,875 1.25,876 0.922,877 10.458,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.349,893 4.892,894 8.001,895 21.259,897 17.256,899 2.501,900 75.028,903 1,904 317.82,905 112.289,906 33.191,907 39.149,908 112.141,910 5.807,911 106.481,912 469.11,913 33.191,915 22.382,916 79.07,917 153.379,918 26.332,920 294.278,921 39.149,922 317.82,923 139.672,924 112.141,925 44.956,927 294.278,928 135.683,931 56.882,932 66.004,933 61.742,935 317.82,936 145.332,937 151.437,939 5.807,940 317.82,941 31.529,942 74.952,943 16.405,944 168.075,945 317.82,946 145.332,947 151.437,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.233,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.49,969 12.811,970 9.727,972 145.332,973 13.64,974 4.118,978 1.873,980 59.088,981 614.589,982 40,986 -3.536,987 35.487,991 -0.775,994 59.283,995 66.511,996 0.283,997 0.592,998 0.774,999 0.908,1000 0.919,1001 0.919,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.258,1009 6.447,1010 4.309,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.628,1027 10.542,1028 5.764,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.059,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.201,1045 15.247,1046 7.524,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.217,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.464,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.361,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.517,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.519,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.639,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.695,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.804,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.888,1128 12899,1129 23438,1130 20.049,1131 38.995,1132 44.316,1133 46.014,1134 45.114,1135 44.489,1136 44.219,1137 56.516,1138 4.682,1139 117.127,1140 42.336,1141 5.81,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.484,1153 1.455,1154 1.435,1155 1.426,1156 1.823,1157 0.151,1158 3.778,1159 1.366,1160 4.075,1161 4.057,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.92,1167 3.961,1168 3.926,1169 3.825,1170 7.474,1171 3.819,1172 3.807,1173 3.856,1174 3.836,1175 3.698,1176 6.999,1177 3.688,1178 3.677,1179 3.708,1180 3.688,1181 3.586,1182 6.351,1183 3.531,1184 3.536,1185 3.553,1186 3.446,1187 3.392,1188 4.93,1189 3.361,1190 3.472,1191 3.517,1192 3.336,1193 3.311,1194 4.893,1195 3.305,1196 3.222,1197 3.271,1198 3.163,1199 3.037,1200 4.279,1201 3.031,1202 2.948,1203 3.024,1204 3.065,1205 2.761,1206 4.227,1207 2.74,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.09,1229 2.036,1230 1.479,1231 2.072,1232 1.899,1233 1.856,1234 1.984,1235 2.011,1236 1.257,1237 2.039,1238 1.808,1239 1.761,1240 1.952,1241 1.944,1242 1.168,1243 1.96,1244 1.623,1245 1.58,1246 1.854,1247 1.806,1248 1.112,1249 1.828,1250 1.463,1251 1.428,1252 1.716,1253 1.681,1254 0.896,1255 1.688,1256 1.411,1257 1.399,1258 1.541,1259 1.583,1260 0.796,1261 1.624,1262 1.179,1263 1.133,1264 1.324,1265 1.395,1266 0.576,1267 1.419,1268 0.943,1269 0.867,1270 1.181,1271 1.189,1272 0.456,1273 1.221,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.798,1289 8.997,1290 6.49,1291 2.611,1294 0.325,1300 36.292,1301 98.087,1302 205.346,1303 268.547,1304 315.076,1305 319.076,1306 319.076,1307 103.586,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 235.561,1320 415.04,1321 566.528,1322 7051,1323 1.7,1324 21.822,1325 0.727,1326 0.618,1327 22.572,1328 18.538,1329 14.365,1330 0.463,1331 0.39,1332 10.293,1333 12.868,1334 9.934,1335 8.263,1336 15.475,1337 12.087,1338 12.817,1339 0.32,1340 0.24,1341 14.549,1342 9.603,1343 9.156,1344 0.208,1345 0.153,1346 10.552,1347 6.751,1348 6.609,1349 0.138,1350 0.095,1351 7.642,1352 4.563,1353 5.081,1354 0.092,1355 0.06,1356 6.042,1357 3.319,1358 0.35,1359 100.658,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 450.398,1365 205.911,1366 482.773,1367 616.99,1368 440,1369 155,1370 374.182,1371 217.974,1372 423.957,1373 601.52,1374 396,1375 8.347} {0 CHEMBL65378,1 1.716,2 12.581,3 4.424,4 19.573,5 120.774,6 8.5,7 0.545,8 4.072,9 4.161,10 3.871,11 3.704,12 5.195,13 3.651,14 4.593,15 4.728,16 4.152,17 4.082,18 5.957,19 4.002,20 4.867,21 5.043,22 4.149,23 4.225,24 5.989,25 4.1,26 4.938,27 5.147,28 4.029,29 4.169,30 6.041,31 4.039,32 4.859,33 5.064,34 4.09,35 4.139,36 5.951,37 4.021,38 4.896,39 5.11,40 4.142,41 4.152,42 6.043,43 4.034,44 4.909,45 5.143,46 4.039,47 4.127,48 5.943,49 4.004,50 4.863,51 5.064,52 4.001,53 4.083,54 5.995,55 3.962,56 0.12,57 0.737,58 11.816,59 5.401,60 23.442,61 6.093,62 0.43,63 1.177,64 19.647,65 9.002,66 78.187,67 10.802,68 0.41,69 1.477,70 33.92,71 12.904,72 72.828,73 14.924,74 0.559,75 1.528,76 38.635,77 13.664,78 102.07,79 16.108,80 0.438,81 1.449,82 32.05,83 11.898,84 77.753,85 14.456,86 0.531,87 1.473,88 34.954,89 12.974,90 86.303,91 16.191,92 0.438,93 1.51,94 33.828,95 12.623,96 77.042,97 16.048,98 0.505,99 1.428,100 36.867,101 12.738,102 93.963,103 14.597,104 29,105 45,106 0.282,107 0.591,108 0.736,109 0.84,110 0.854,111 0.86,112 3.471,113 1.06,114 -4.17,115 -4.11,116 -3.89,118 42.6,120 4,124 1,140 9,141 4,142 2,143 2,154 1,163 1,167 1,168 15,169 1,171 1,172 3,175 3,177 2,180 21,181 1,186 6,191 4,194 19,195 1,198 8,203 5,206 14,207 2,210 5,215 4,218 12,219 2,222 10,227 6,229 11,230 3,234 9,239 5,242 8,243 1,247 10,252 3,253 1,255 9,256 2,259 7,262 1,263 1,264 2,267 11,270 1873,271 20.402,272 20.402,273 20.402,274 20.402,275 20.402,276 17.709,277 20.353,278 12.26,279 20.788,280 16.328,281 16.328,282 16.328,283 16.328,284 16.328,285 12.219,286 21.298,287 5.909,288 17.003,289 4.039,290 2.158,291 1.274,292 0.644,293 0.556,294 0.519,295 4.152,297 1,299 1,300 1,301 817,302 4.243,306 351.291,313 1.788,314 41.592,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 67.333,326 390,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.063,336 4.222,337 3.6,338 5.833,339 3.856,340 2.856,341 3.858,342 0.68,343 8.482,344 2.854,345 3.889,346 3.083,347 5.407,348 3.51,349 2.515,350 3.435,352 7.187,353 2.503,354 3.835,355 2.898,356 5.15,357 3.315,358 2.401,359 3.393,361 6.323,362 2.253,363 3.568,364 2.75,365 5.037,366 3.263,367 2.262,368 2.757,370 6.105,371 2.158,372 3.351,373 2.403,374 4.86,375 3.029,376 2.033,377 2.601,379 5.594,380 2.015,381 3.297,382 2.155,383 4.727,384 2.921,385 1.925,386 2.535,388 4.973,389 1.911,390 3.08,391 1.883,392 4.586,393 2.576,394 1.64,395 2.289,397 4.754,398 1.463,399 2.849,400 1.486,401 3.589,402 2.341,403 1.401,404 2,406 3.025,407 1.314,408 2.5,409 1.297,410 3.516,411 2.049,412 1.087,413 1.5,415 2.44,416 1.039,417 2.5,418 1.054,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.254,427 1,428 3.247,429 1.984,430 1,431 1.215,433 2.136,434 0.983,435 1.779,436 1,437 3,438 1.56,439 0.555,440 0.636,442 1.251,443 0.552,444 1.295,445 0.616,446 2.979,447 0.99,453 1.138,454 0.419,455 2.865,456 0.9,457 -0.062,458 -0.07,460 -0.157,461 -0.056,462 15.181,463 0.49,464 0.857,465 0.028,466 41,467 1.323,468 22.5,469 0.726,470 18.5,471 0.597,472 25.852,473 0.834,474 33.419,475 0.619,476 32.438,477 1.046,478 7.992,479 0.258,480 6.822,481 0.22,482 0.135,483 0.055,484 0.231,487 0.58,488 1.177,489 0.719,490 1.092,491 0.68,492 0.898,493 0.485,494 1.061,495 0.788,496 0.97,497 0.456,498 0.998,499 0.936,500 1.113,501 1.152,502 1.169,503 0.902,504 1.139,505 1.05,506 1.018,507 1.043,508 1.044,509 1.088,510 1.04,511 0.887,512 1.022,513 0.685,514 0.893,515 0.943,516 1.028,517 0.584,518 1.059,519 0.747,520 1.029,521 0.614,522 1.01,523 0.772,524 0.931,525 0.703,526 0.845,527 0.762,528 0.913,529 1.124,530 1.134,531 1.139,532 1.164,533 1.117,534 1.084,535 8,536 0.256,537 2.889,538 2,539 1.267,540 0.965,541 0.69,542 0.462,543 0.353,544 0.314,545 13115,546 45123,547 2.004,548 42.6,549 4,550 11,552 2,553 2,554 2,555 2,558 1.739,559 1.869,560 3.599,561 0.225,563 1,567 92.68,568 1.716,569 3.596,570 4.481,571 5.111,572 5.199,573 5.236,574 3.011,575 4.503,576 4.924,577 3.783,578 1759.18,579 8.618,580 26370.6,585 310.764,586 1.525,587 4.873,588 0.242,589 0.008,590 0.064,591 0.047,592 0.032,593 0.025,594 0.017,595 0.012,596 0.01,597 0.009,598 0.466,599 0.33,600 1,601 1.064,602 163.201,603 0.034,604 -0.036,605 0.124,606 -0.019,607 -0.112,608 0.045,609 0.252,610 0.023,611 0.009,612 -0.003,613 0.264,614 -0.059,615 -0.121,616 -0.097,617 -0.167,618 -0.124,619 -0.084,620 -0.146,621 -0.129,622 -0.051,623 -0.106,624 -0.041,625 -0.102,626 -0.038,627 -0.078,628 -0.032,629 0.053,630 0.014,631 -0.08,632 -0.057,633 0.166,634 -0.105,635 0.122,636 -0.067,637 0.13,638 0.005,639 -0.011,640 0.038,641 0.104,642 0.072,643 -0.011,644 0.09,645 -0.135,646 -0.147,647 -0.138,648 -0.125,649 -0.122,650 -0.09,651 4.547,652 5.461,653 0.581,654 34.341,655 1.012,656 1.116,657 2.942,658 8.654,659 0.698,660 3.526,661 3.829,662 3.97,663 4.159,664 4.357,665 4.394,666 4.419,667 4.489,668 4.564,669 4.635,670 7.547,671 0.661,672 459,673 3.526,674 5.056,675 5.861,676 6.718,677 7.542,678 8.403,679 9.235,680 10.1,681 10.936,682 11.802,683 3.7,685 1,693 1,699 11,700 1,704 6,706 18,723 1,724 54,726 21,727 2,728 33,730 56,731 23,733 17,734 5,735 7,739 3,740 3,741 1,751 4,753 18,754 5,756 3,760 1,761 3,765 1,769 1,772 23,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 3,818 1,830 1,832 3,834 1,837 1,840 31,844 1,845 1,846 5,847 1,861 1,862 7.4,864 1,865 3,869 16.583,870 9.376,871 6.792,872 3.094,874 2.92,875 1.403,876 0.963,877 7.941,878 10.171,879 3.829,880 4.425,881 4.842,882 5.332,883 5.829,884 5.948,885 6.125,886 6.349,887 6.664,888 6.959,889 1,890 43,891 11.696,893 5.167,894 8.039,895 21.572,897 17.651,899 2.539,900 78.694,903 1,904 247.193,905 140.136,906 33.191,907 39.149,908 112.141,910 5.807,911 134.328,912 398.483,913 33.191,915 12.244,916 107.499,917 153.379,918 35.888,920 223.651,921 39.149,922 247.193,923 167.519,924 112.141,925 44.956,927 223.651,928 135.683,931 46.744,932 103.99,933 61.742,935 247.193,936 145.332,937 179.284,939 5.807,940 247.193,941 30.947,942 103.381,943 16.405,944 168.075,945 247.193,946 145.332,947 179.284,949 0.579,950 0.306,951 0.152,952 0.088,953 19,954 9,955 0.179,956 10,958 1,959 4.255,960 260.118,962 18,963 143.58,967 1,968 23.112,969 10.651,970 7.266,972 145.332,973 19.302,974 4.026,978 4.643,980 59.088,981 571.809,982 45,986 -3.631,987 35.901,991 -0.85,994 54.633,995 60.265,996 0.298,997 0.625,998 0.779,999 0.888,1000 0.903,1001 0.91,1002 5.047,1003 1.64,1004 5.861,1005 4.973,1006 4.511,1007 5.112,1008 2.35,1009 6.637,1010 4.435,1011 6.272,1012 1.401,1013 7.405,1014 4.754,1015 4.205,1016 5.112,1017 2.243,1018 7.743,1019 4.025,1020 7.601,1021 1.087,1022 9.064,1023 3.025,1024 6.12,1025 7.365,1026 3.64,1027 10.719,1028 5.953,1029 8.97,1030 1,1031 10.798,1032 2.44,1033 6.608,1034 8.166,1035 4.112,1036 12.731,1037 6.308,1038 10.375,1039 1,1040 12.588,1041 2.275,1042 8.054,1043 9.967,1044 5.203,1045 15.346,1046 7.753,1047 11.807,1048 0.555,1049 14.42,1050 2.136,1051 8.918,1052 11.144,1053 5.889,1054 17.698,1055 8.475,1056 13.263,1058 16.287,1059 1.251,1060 10.19,1061 12.776,1062 6.849,1063 20.232,1064 9.716,1065 3.374,1066 -0.062,1067 18.181,1069 11.236,1070 14.14,1071 7.625,1072 22.696,1073 10.625,1074 2.856,1075 12.404,1076 20.096,1077 -0.157,1078 12.449,1079 15.708,1080 8.526,1081 25.215,1082 11.778,1083 2.515,1084 8.482,1085 22.029,1086 4.697,1087 13.581,1088 17.162,1089 9.342,1090 27.714,1091 12.782,1092 2.401,1093 7.187,1094 23.974,1095 3.858,1096 14.779,1097 18.707,1098 10.216,1099 30.23,1100 13.899,1101 2.262,1102 6.323,1103 25.93,1104 3.435,1105 15.95,1106 20.206,1107 11.051,1108 32.742,1109 14.951,1110 2.033,1111 6.105,1112 27.893,1113 3.393,1114 17.149,1115 21.746,1116 11.912,1117 35.258,1118 16.055,1119 1.925,1120 5.594,1121 29.862,1122 2.757,1123 18.339,1124 23.267,1125 12.755,1126 37.774,1127 17.132,1128 12858,1129 24041,1130 21.553,1131 37.71,1132 48.484,1133 50.135,1134 49.19,1135 48.386,1136 48.099,1137 64.833,1138 6.042,1139 133.898,1140 46.215,1141 5.748,1142 6.683,1143 7.095,1144 5.339,1145 5.374,1146 7.697,1147 3.925,1148 19.555,1149 5.063,1150 16.834,1151 1.469,1152 1.519,1153 1.491,1154 1.466,1155 1.458,1156 1.965,1157 0.183,1158 4.058,1159 1.4,1160 4.085,1161 4.08,1162 4.736,1163 4.069,1164 7.717,1165 3.993,1166 3.991,1167 4.001,1168 3.947,1169 3.947,1170 7.474,1171 3.926,1172 3.827,1173 3.867,1174 3.924,1175 3.736,1176 6.999,1177 3.736,1178 3.666,1179 3.686,1180 3.759,1181 3.583,1182 6.351,1183 3.521,1184 3.576,1185 3.591,1186 3.496,1187 3.411,1188 4.932,1189 3.41,1190 3.341,1191 3.371,1192 3.253,1193 3.212,1194 4.902,1195 3.189,1196 3.141,1197 3.183,1198 3.144,1199 2.952,1200 4.686,1201 2.963,1202 2.916,1203 2.971,1204 3.029,1205 2.735,1206 4.267,1207 2.715,1208 0.147,1209 0.142,1210 0.221,1211 0.13,1212 0.102,1213 4.844,1214 0.142,1215 4.683,1216 0.071,1217 7.293,1218 0.376,1219 4.291,1220 0.093,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.063,1226 1.998,1227 1.981,1228 2.107,1229 2.076,1230 1.342,1231 2.095,1232 1.947,1233 1.951,1234 1.956,1235 2.009,1236 1.179,1237 2.046,1238 1.814,1239 1.778,1240 1.941,1241 1.932,1242 1.101,1243 1.939,1244 1.588,1245 1.557,1246 1.797,1247 1.778,1248 1.066,1249 1.791,1250 1.485,1251 1.472,1252 1.647,1253 1.676,1254 0.812,1255 1.685,1256 1.28,1257 1.263,1258 1.354,1259 1.432,1260 0.555,1261 1.476,1262 1.086,1263 1.042,1264 1.181,1265 1.322,1266 0.462,1267 1.32,1268 0.886,1269 0.821,1270 1.181,1271 1.134,1272 0.247,1273 1.137,1274 4.205,1276 5.509,1278 6.991,1280 8.553,1282 10.158,1285 5.824,1289 9.013,1290 1.858,1291 2.609,1300 35.711,1301 92.68,1302 194.207,1303 241.97,1304 276.009,1305 280.764,1306 282.764,1307 82.355,1308 7.251,1309 96.36,1310 104.74,1311 18,1312 12.355,1313 4.459,1314 3.7,1315 58.064,1316 137,1317 147,1318 0.197,1319 228.978,1320 401.16,1321 550.465,1322 13874,1323 1.9,1324 22.269,1325 0.718,1326 0.592,1327 23.019,1328 18.364,1329 14.815,1330 0.449,1331 0.353,1332 9.861,1333 13.314,1334 9.48,1335 7.838,1336 15.924,1337 11.655,1338 13.854,1339 0.308,1340 0.209,1341 15.585,1342 9.389,1343 10.098,1344 0.194,1345 0.124,1346 11.494,1347 6.456,1348 7.922,1349 0.126,1350 0.07,1351 8.944,1352 4.402,1353 6.286,1354 0.082,1355 0.042,1356 7.244,1357 3.201,1358 0.314,1359 103.355,1360 0.215,1361 29.499,1362 0.529,1363 156,1364 500.398,1365 219.911,1366 535.76,1367 695,1368 490,1369 175,1370 436.182,1371 237.807,1372 490.285,1373 699.7,1374 458,1375 7.328} {0 CHEMBL65414,1 1.662,2 14.067,3 4.952,4 24.525,5 118.15,6 7.679,7 0.387,8 4.133,9 4.24,10 3.839,11 3.711,12 5.166,13 3.64,14 4.697,15 4.864,16 4.089,17 4.091,18 5.947,19 3.978,20 5.017,21 5.25,22 4.082,23 4.234,24 5.99,25 4.07,26 5.078,27 5.33,28 3.938,29 4.183,30 6.042,31 4.011,32 5.049,33 5.312,34 3.956,35 4.147,36 5.946,37 3.975,38 5.049,39 5.307,40 3.969,41 4.125,42 6.061,43 3.964,44 5.001,45 5.262,46 3.836,47 4.095,48 5.912,49 3.925,50 4.957,51 5.208,52 3.874,53 4.066,54 5.932,55 3.904,56 0.103,57 0.817,58 15.336,59 6.198,60 21.844,61 7.692,62 0.417,63 1.292,64 25.993,65 10.528,66 83.32,67 13.546,68 0.404,69 1.609,70 43.38,71 14.804,72 81.415,73 18.818,74 0.569,75 1.636,76 46.216,77 14.72,78 108.321,79 19.035,80 0.51,81 1.58,82 44.834,83 14.269,84 96.066,85 18.77,86 0.708,87 1.535,88 43.952,89 13.904,90 123.147,91 18.503,92 0.516,93 1.5,94 39.933,95 13.264,96 97.764,97 17.668,98 0.519,99 1.455,100 41.843,101 12.93,102 91.826,103 16.599,104 29,105 40,106 0.272,107 0.57,108 0.745,109 0.874,110 0.885,111 0.885,112 3.439,113 1.17,114 -4.18,115 -4.12,116 -3.9,118 37.3,120 8,121 1,124 1,140 6,141 1,142 2,143 2,154 1,163 1,167 1,168 13,169 1,171 1,172 3,175 3,177 2,180 15,181 1,186 7,191 4,194 15,195 1,198 8,203 4,206 10,207 2,210 5,215 3,218 10,219 2,222 7,227 5,229 10,230 2,234 6,239 4,242 9,243 1,247 7,252 2,253 1,255 8,256 1,259 6,260 1,262 1,263 1,264 2,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 12.838,278 12.194,279 20.143,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 5.318,287 5.838,288 15.983,289 4.22,290 2.402,291 1.331,292 0.542,293 0.475,294 0.475,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 40.896,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 65.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.597,338 5.37,339 3.558,340 2.562,341 3.444,343 7.047,344 2.552,345 3.835,346 2.898,347 5.313,348 3.471,349 2.477,350 3.393,352 6.896,353 2.46,354 3.612,355 2.725,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.465,365 4.733,366 3.141,367 2.135,368 2.427,370 5.057,371 2.121,372 3.085,373 1.966,374 4.611,375 2.688,376 1.732,377 2.292,379 4.77,380 1.642,381 2.936,382 1.644,383 3.745,384 2.537,385 1.572,386 2.101,388 3.356,389 1.497,390 2.651,391 1.593,392 3.665,393 2.474,394 1.504,395 1.647,397 3.199,398 1.412,399 2.5,400 1.19,401 3.414,402 2.085,403 1.095,404 1.5,406 2.37,407 1.082,408 2.5,409 1.114,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.815,430 0.838,431 0.877,433 1.81,434 0.813,435 1.544,436 0.819,437 2.861,438 1.413,439 0.42,440 0.448,442 0.924,443 0.414,444 1.12,445 0.563,446 2.693,447 0.947,448 -0.031,449 -0.033,451 -0.072,452 -0.03,453 1.082,454 0.361,455 2.543,456 0.637,457 -0.222,458 -0.273,460 -0.488,461 -0.15,462 14.681,463 0.489,464 0.721,465 0.024,466 34,467 1.133,468 16.5,469 0.55,470 17.5,471 0.583,472 29.701,473 0.99,474 34.519,475 0.585,476 24.488,477 0.816,478 6.045,479 0.202,480 8.32,481 0.277,482 0.139,483 0.057,484 0.17,487 0.583,488 1.337,489 0.776,490 1.215,491 0.664,492 1.041,493 0.471,494 1.213,495 0.827,496 1.093,497 0.426,498 1.133,499 0.828,500 1.101,501 1.017,502 1.099,503 0.778,504 1.055,505 1.011,506 0.992,507 0.992,508 1.005,509 1.006,510 1.016,511 0.845,512 0.957,513 0.701,514 0.882,515 0.916,516 0.954,517 0.828,518 0.925,519 0.766,520 0.908,521 0.901,522 0.958,523 0.943,524 0.937,525 0.799,526 0.861,527 0.958,528 0.961,529 1.055,530 0.968,531 1.022,532 0.991,533 1.014,534 0.969,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 41766,547 1.951,548 49.2,549 13,550 8,552 2,553 2,554 2,555 2,558 1.726,559 1.827,560 3.758,561 0.243,567 98.087,568 1.662,569 3.48,570 4.552,571 5.34,572 5.408,573 5.408,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,582 1,585 347.076,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.044,604 -0.065,605 0.131,606 -0.027,607 -0.082,608 0.028,609 0.257,610 -0.072,611 0.004,612 -0.066,613 0.284,614 -0.119,615 -0.048,616 -0.093,617 -0.039,618 -0.055,619 -0.002,620 -0.04,621 -0.108,622 -0.024,623 -0.076,624 -0.033,625 -0.066,626 -0.038,627 -0.036,628 -0.009,629 0.08,630 0.034,631 -0.059,632 0.021,633 0.069,634 -0.005,635 0.07,636 -0.002,637 0.014,638 0.016,639 -0.085,640 0.002,641 0.002,642 0.039,643 -0.102,644 0.008,645 -0.115,646 0.013,647 -0.062,648 -0.005,649 -0.103,650 0.005,651 4.453,652 5.269,653 0.4,654 34.133,655 1.005,656 1.127,657 2.948,658 8.692,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.615,672 453.05,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.4,685 1,693 1,699 8,700 1,704 3,706 12,723 1,724 59,726 15,727 1,728 31,730 60,731 22,733 11,734 2,735 4,739 2,740 2,741 1,751 8,753 12,754 10,755 1,756 3,760 1,761 3,765 1,772 29,773 6,774 2,775 8,776 2,779 2,784 1,785 4,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 9,847 1,850 1,861 1,862 6.8,864 1,865 3,869 16.417,870 9.96,871 6.792,872 3.719,874 1.666,875 1.25,876 0.922,877 10.458,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.349,893 4.892,894 8.001,895 21.259,897 17.256,899 2.501,900 75.028,903 1,904 317.82,905 112.289,906 33.191,907 39.149,908 112.141,910 5.807,911 106.481,912 469.11,913 33.191,915 22.382,916 79.07,917 153.379,918 26.332,920 294.278,921 39.149,922 317.82,923 139.672,924 112.141,925 44.956,927 294.278,928 135.683,931 56.882,932 66.004,933 61.742,935 317.82,936 145.332,937 151.437,939 5.807,940 317.82,941 31.529,942 74.952,943 16.405,944 168.075,945 317.82,946 145.332,947 151.437,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.233,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.49,969 12.811,970 9.727,972 145.332,973 13.64,974 4.118,978 1.873,980 59.088,981 614.589,982 40,986 -3.536,987 35.487,991 -0.775,994 59.283,995 66.511,996 0.283,997 0.592,998 0.774,999 0.908,1000 0.919,1001 0.919,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.258,1009 6.447,1010 4.309,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.783,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.628,1027 10.542,1028 5.764,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.059,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.201,1045 15.247,1046 7.524,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.217,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.464,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.361,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.517,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.519,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.639,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.695,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.804,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.888,1128 12899,1129 23438,1130 20.049,1131 38.995,1132 44.316,1133 46.014,1134 45.114,1135 44.489,1136 44.219,1137 56.516,1138 4.682,1139 117.127,1140 42.336,1141 5.81,1142 6.683,1143 7.095,1144 5.336,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.484,1153 1.455,1154 1.435,1155 1.426,1156 1.823,1157 0.151,1158 3.778,1159 1.366,1160 4.075,1161 4.057,1162 4.735,1163 4.064,1164 7.717,1165 3.974,1166 3.92,1167 3.961,1168 3.926,1169 3.825,1170 7.474,1171 3.819,1172 3.807,1173 3.856,1174 3.836,1175 3.698,1176 6.999,1177 3.688,1178 3.677,1179 3.708,1180 3.688,1181 3.586,1182 6.351,1183 3.531,1184 3.536,1185 3.553,1186 3.446,1187 3.392,1188 4.93,1189 3.361,1190 3.472,1191 3.517,1192 3.336,1193 3.311,1194 4.893,1195 3.305,1196 3.222,1197 3.271,1198 3.163,1199 3.037,1200 4.279,1201 3.031,1202 2.948,1203 3.024,1204 3.065,1205 2.761,1206 4.227,1207 2.74,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.955,1227 1.965,1228 2.09,1229 2.036,1230 1.479,1231 2.072,1232 1.899,1233 1.856,1234 1.984,1235 2.011,1236 1.257,1237 2.039,1238 1.808,1239 1.761,1240 1.952,1241 1.944,1242 1.168,1243 1.96,1244 1.623,1245 1.58,1246 1.854,1247 1.806,1248 1.112,1249 1.828,1250 1.463,1251 1.428,1252 1.716,1253 1.681,1254 0.896,1255 1.688,1256 1.411,1257 1.399,1258 1.541,1259 1.583,1260 0.796,1261 1.624,1262 1.179,1263 1.133,1264 1.324,1265 1.395,1266 0.576,1267 1.419,1268 0.943,1269 0.867,1270 1.181,1271 1.189,1272 0.456,1273 1.221,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.798,1289 8.997,1290 6.49,1291 2.611,1294 0.325,1300 36.292,1301 98.087,1302 205.346,1303 268.547,1304 315.076,1305 319.076,1306 319.076,1307 103.586,1308 6.671,1309 96.36,1310 104.74,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 235.561,1320 415.04,1321 566.528,1322 7051,1323 1.7,1324 21.822,1325 0.727,1326 0.618,1327 22.572,1328 18.538,1329 14.365,1330 0.463,1331 0.39,1332 10.293,1333 12.868,1334 9.934,1335 8.263,1336 15.475,1337 12.087,1338 12.817,1339 0.32,1340 0.24,1341 14.549,1342 9.603,1343 9.156,1344 0.208,1345 0.153,1346 10.552,1347 6.751,1348 6.609,1349 0.138,1350 0.095,1351 7.642,1352 4.563,1353 5.081,1354 0.092,1355 0.06,1356 6.042,1357 3.319,1358 0.35,1359 100.658,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 450.398,1365 205.911,1366 482.773,1367 616.99,1368 440,1369 155,1370 374.182,1371 217.974,1372 423.957,1373 601.52,1374 396,1375 8.398} {0 CHEMBL65622,1 1.369,2 14.5,3 4.831,4 23.338,5 133.302,6 7.04,7 0.486,8 4.245,9 4.351,10 3.76,11 3.819,12 5.314,13 3.782,14 4.791,15 4.941,16 4.067,17 4.202,18 5.852,19 4.134,20 5.076,21 5.283,22 4.091,23 4.33,24 5.995,25 4.222,26 5.133,27 5.363,28 4.039,29 4.318,30 6.013,31 4.196,32 5.137,33 5.374,34 4.033,35 4.325,36 5.99,37 4.198,38 5.126,39 5.375,40 3.991,41 4.306,42 5.96,43 4.168,44 5.087,45 5.329,46 3.934,47 4.257,48 5.937,49 4.119,50 5.055,51 5.304,52 3.889,53 4.202,54 5.898,55 4.071,56 0.039,57 0.825,58 13.906,59 6.617,60 12.53,61 8.419,62 0.282,63 1.364,64 25.82,65 10.984,66 48.557,67 14.178,68 0.41,69 1.742,70 36.235,71 14.57,72 55.992,73 19.372,74 0.446,75 1.814,76 39.301,77 15.188,78 61.74,79 20.379,80 0.357,81 1.838,82 39.309,83 15.397,84 55.369,85 20.883,86 0.381,87 1.837,88 38.96,89 15.166,90 54.159,91 20.954,92 0.324,93 1.746,94 37.422,95 14.665,96 54.502,97 19.998,98 0.408,99 1.673,100 36.865,101 13.877,102 57.663,103 18.878,104 12,105 48,106 0.217,107 0.54,108 0.743,109 0.854,110 0.887,111 0.887,112 3.56,113 0.961,114 -4.67,115 -4.59,116 -4.32,118 44.6,120 4,121 1,124 2,126 2,133 2,140 11,141 4,143 2,154 1,163 1,167 1,168 21,169 1,172 7,175 1,177 1,180 23,181 1,185 1,186 7,191 1,194 20,195 1,197 1,198 8,203 1,206 17,207 1,210 7,215 1,218 16,219 1,221 1,222 8,227 1,229 14,230 1,234 8,239 1,242 13,243 1,247 8,252 1,255 15,259 5,260 2,267 16,268 1,270 2630,271 23.518,272 23.518,273 23.518,274 23.518,275 23.518,276 20.913,277 18.279,278 14.589,279 23.807,280 18.329,281 18.329,282 18.329,283 18.329,284 18.329,285 14.605,286 19.36,287 7,288 18.795,289 4.653,290 2.616,291 1.34,292 0.639,293 0.431,294 0.431,295 4.26,300 1,301 1055,302 3.808,305 109.893,306 376.078,313 2.235,314 28.525,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.73,325 72.5,326 493,327 4.249,328 3.597,329 6.705,330 4.105,331 3.144,332 3.889,333 2.341,334 10.882,335 3.019,336 4.231,337 3.486,338 6.143,339 3.868,340 2.869,341 3.592,342 1.151,343 9.054,344 2.867,345 3.813,346 2.958,347 5.734,348 3.473,349 2.504,350 3.304,351 1.151,352 7.706,353 2.429,354 3.694,355 2.809,356 5.323,357 3.369,358 2.379,359 2.899,361 6.892,362 2.349,363 3.559,364 2.559,365 4.659,366 3.241,367 2.235,368 2.722,370 5.184,371 2.222,372 3.269,373 2.174,374 4.632,375 2.83,376 1.846,377 2.585,379 4.695,380 1.819,381 3.166,382 2.023,383 4.441,384 2.76,385 1.769,386 2.233,388 4.457,389 1.748,390 3.009,391 1.846,392 4.111,393 2.643,394 1.7,395 2.151,397 3.778,398 1.593,399 2.661,400 1.774,401 3.692,402 2.365,403 1.397,404 1.727,406 3.159,407 1.343,408 2.546,409 1.503,410 3.52,411 2.182,412 1.201,413 1.542,415 2.739,416 1.178,417 2.5,418 1.369,419 3.496,420 2.035,421 1.105,422 1.5,424 2.628,425 1.018,426 2.5,427 1.201,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.247,438 2,439 1,440 1.5,442 2.136,443 1,444 2.324,445 1,446 3.247,447 1.955,448 1,449 1.301,451 2.136,452 0.952,453 1.977,454 1,455 3.213,456 1.868,457 0.91,458 0.936,460 1.958,461 0.861,462 16.233,463 0.477,464 0.554,465 0.016,466 41,467 1.206,468 20.5,469 0.603,470 20.5,471 0.603,472 30.967,473 0.911,474 36.567,475 0.563,476 31.173,477 0.917,478 8.214,479 0.242,480 8.49,481 0.25,482 0.041,484 0.246,487 0.797,488 1.134,489 0.842,490 1.076,491 0.734,492 0.983,493 1.014,494 1.117,495 1.053,496 1.109,497 0.609,498 1.089,499 1.006,500 1.063,501 1.052,502 1.072,503 0.885,504 1.071,505 1.112,506 0.959,507 1.041,508 0.984,509 0.789,510 1.002,511 0.994,512 1.01,513 0.998,514 1.002,515 0.619,516 1.003,517 0.818,518 0.947,519 0.963,520 0.973,521 0.605,522 0.983,523 0.946,524 1.039,525 1.021,526 1.048,527 0.782,528 1.046,529 1.12,530 0.884,531 1,532 0.887,533 0.857,534 0.92,535 4.5,536 0.224,537 3.111,538 1.444,539 1.064,540 0.844,541 0.488,542 0.296,543 0.234,544 0.212,545 18618,546 47693,547 2.112,548 47.7,549 6,550 19,552 2,553 1,554 2,556 1,558 1.761,559 2.04,560 3.799,561 -0.45,567 88.992,568 1.369,569 3.407,570 4.683,571 5.384,572 5.592,573 5.592,574 3.282,575 4.514,576 5.051,577 4.002,578 2245.14,579 8.869,580 36693,585 391.454,586 1.086,587 5.047,588 0.122,589 0.005,590 0.065,591 0.031,592 0.024,593 0.019,594 0.012,595 0.008,596 0.006,597 0.005,598 0.297,599 0.17,600 0.88,601 1.437,602 185.955,603 -0.022,604 -0.03,605 0.043,607 -0.044,608 0.025,609 0.005,610 -0.061,611 -0.112,612 -0.08,613 0.099,614 -0.107,615 -0.001,616 -0.072,617 -0.08,618 -0.071,619 -0.06,620 -0.085,621 -0.06,622 0.015,623 -0.048,624 -0.001,625 -0.034,626 -0.021,627 -0.06,628 -0.037,629 -0.017,630 -0.015,631 0.001,632 -0.012,633 0.005,634 0.039,635 0.012,636 0.007,637 -0.002,638 0.011,639 -0.049,640 -0.068,641 -0.043,642 -0.063,643 -0.048,644 -0.054,645 -0.101,646 0.083,647 0.001,648 0.084,649 -0.077,650 0.061,651 2.434,652 3.691,653 0.676,654 47.298,655 0.995,656 1.116,657 3.444,658 11.86,659 0.665,660 3.638,661 3.892,662 4.127,663 4.357,664 4.543,665 4.575,666 4.7,667 4.796,668 4.905,669 5.004,670 8.549,671 0.627,672 457.61,673 3.638,674 5.142,675 5.964,676 6.808,677 7.651,678 8.507,679 9.361,680 10.224,681 11.086,682 11.953,683 1.5,693 1,699 13,700 1,704 4,706 18,724 65,726 20,727 2,728 37,730 68,731 29,733 17,734 3,735 9,739 4,740 4,748 2,749 1,751 6,753 20,754 9,755 1,756 2,761 1,763 2,765 1,772 31,773 5,774 1,775 5,779 1,784 1,785 4,790 1,795 1,801 1,802 3,818 1,822 2,830 1,831 2,832 4,840 34,845 1,846 6,848 2,850 3,862 6.2,864 1,865 1,866 2,869 16.667,870 11.15,871 7.694,872 3.954,874 2.881,875 1.369,876 0.949,877 8.754,878 10.69,879 3.892,880 4.376,881 4.842,882 5.326,883 5.823,884 5.871,885 6.236,886 6.503,887 6.774,888 7.02,889 0.9,890 47,891 12.598,893 5.265,894 7.686,895 24.409,897 20.044,899 2.186,900 74.333,904 353.133,905 174.261,906 16.786,908 89.828,911 174.261,912 442.961,913 16.786,915 19.323,916 123.191,917 131.066,918 30.837,920 329.591,922 353.133,923 191.047,924 89.828,927 341.362,928 79.599,929 22,931 37.418,932 117.891,933 35.738,935 353.133,936 106.614,937 174.261,940 353.133,941 32.975,942 141.286,944 106.614,945 353.133,946 106.614,947 174.261,949 0.559,950 0.313,951 0.17,952 0.092,953 20,954 8,955 0.162,956 11,958 1,959 4.705,960 297.157,962 23,963 164.974,968 24.034,969 12.384,970 6.949,972 106.614,973 26.484,974 4.262,978 4.602,980 42.683,981 634.008,982 48,987 10.691,989 4.022,991 -0.768,994 64.665,995 72.564,996 0.227,997 0.566,998 0.778,999 0.894,1000 0.928,1001 0.928,1002 5.091,1003 1.7,1004 5.894,1005 4.457,1006 4.575,1007 5.063,1008 2.699,1009 6.632,1010 4.525,1011 6.232,1012 1.397,1013 7.398,1014 3.778,1015 3.892,1016 4.443,1017 2.243,1018 7.424,1019 3.836,1020 7.482,1021 1.201,1022 9.01,1023 3.159,1024 6.08,1025 7.063,1026 3.799,1027 10.535,1028 5.988,1029 8.764,1030 1.105,1031 10.692,1032 2.739,1033 6.312,1034 7.28,1035 4.112,1036 12.274,1037 6.2,1038 10.08,1039 1,1040 12.424,1041 2.628,1042 7.886,1043 9.339,1044 5.251,1045 14.873,1046 7.746,1047 11.419,1048 1,1049 14.191,1050 2.275,1051 8.566,1052 9.983,1053 5.889,1054 16.982,1055 8.395,1056 12.777,1057 1,1058 15.984,1059 2.136,1060 9.874,1061 11.763,1062 6.861,1063 19.422,1064 9.677,1065 3.144,1066 0.91,1067 17.795,1068 2.136,1069 10.781,1070 12.658,1071 7.625,1072 21.682,1073 10.546,1074 2.869,1075 10.882,1076 19.621,1077 1.958,1078 11.973,1079 14.273,1080 8.529,1081 24.073,1082 11.711,1083 2.504,1084 9.054,1085 21.459,1086 3.889,1087 12.993,1088 15.327,1089 9.342,1090 26.397,1091 12.69,1092 2.379,1093 7.706,1094 23.305,1095 3.592,1096 14.139,1097 16.84,1098 10.217,1099 28.775,1100 13.805,1101 2.235,1102 6.892,1103 25.159,1104 3.304,1105 15.214,1106 17.997,1107 11.051,1108 31.129,1109 14.839,1110 1.846,1111 5.184,1112 27.019,1113 2.899,1114 16.345,1115 19.446,1116 11.912,1117 33.505,1118 15.935,1119 1.769,1120 4.695,1121 28.884,1122 2.722,1123 17.447,1124 20.67,1125 12.755,1126 35.873,1127 16.995,1128 17770,1129 28527,1130 25.424,1131 43.245,1132 54.414,1133 55.041,1134 54.508,1135 53.81,1136 53.837,1137 68.696,1138 9.285,1139 143.437,1140 52.382,1141 5.2,1142 5.597,1143 6.529,1144 5.206,1145 5.144,1146 6.889,1147 3.925,1148 18.009,1149 5.019,1150 12.033,1151 1.471,1152 1.488,1153 1.473,1154 1.454,1155 1.455,1156 1.857,1157 0.251,1158 3.877,1159 1.416,1160 4.03,1161 4.055,1162 3.965,1163 3.969,1164 7.474,1165 3.964,1166 3.952,1167 3.981,1168 3.885,1169 3.854,1170 6.351,1171 3.857,1172 3.778,1173 3.82,1174 3.695,1175 3.701,1176 4.928,1177 3.694,1178 3.76,1179 3.797,1180 3.658,1181 3.66,1182 4.843,1183 3.652,1184 3.676,1185 3.714,1186 3.577,1187 3.529,1188 4.697,1189 3.532,1190 3.462,1191 3.497,1192 3.351,1193 3.264,1194 4.581,1195 3.275,1196 3.206,1197 3.246,1198 3.088,1199 3.049,1200 4.385,1201 3.05,1202 3.111,1203 3.158,1204 2.946,1205 2.887,1206 4.287,1207 2.893,1208 0.115,1209 0.097,1210 0.181,1211 0.111,1212 0.085,1213 4.249,1214 0.105,1215 3.597,1216 0.063,1217 6.705,1218 0.294,1219 4.105,1220 0.082,1221 3.144,1222 3.889,1223 2.341,1224 10.882,1225 3.019,1226 1.995,1227 1.973,1228 2.097,1229 2.06,1230 1.385,1231 2.073,1232 1.879,1233 1.845,1234 2.027,1235 1.999,1236 1.216,1237 2.007,1238 1.78,1239 1.748,1240 1.943,1241 1.913,1242 1.155,1243 1.927,1244 1.763,1245 1.72,1246 1.917,1247 1.874,1248 1.015,1249 1.889,1250 1.605,1251 1.562,1252 1.82,1253 1.781,1254 0.993,1255 1.793,1256 1.387,1257 1.346,1258 1.633,1259 1.629,1260 0.906,1261 1.626,1262 1.246,1263 1.21,1264 1.474,1265 1.493,1266 0.651,1267 1.481,1268 1.132,1269 1.085,1270 1.389,1271 1.34,1272 0.588,1273 1.353,1274 4.317,1276 5.587,1277 2.398,1278 7.047,1279 4.727,1280 8.593,1281 6.823,1282 10.189,1289 8.791,1290 3.567,1292 12.534,1294 0.148,1300 40.783,1301 88.992,1302 221.439,1303 304.381,1304 349.944,1305 363.454,1306 363.454,1307 65.989,1308 7.809,1309 68.65,1310 68.65,1311 23,1312 12.5,1313 4.392,1314 3.585,1315 56.869,1316 166,1317 186,1318 0.156,1319 249.953,1320 445.24,1321 601.645,1322 28907,1324 23.589,1325 0.694,1326 0.566,1327 23.589,1328 19.254,1329 16.704,1330 0.451,1331 0.32,1332 11.73,1333 16.233,1334 11.496,1335 9.506,1336 16.704,1337 11.848,1338 14.205,1339 0.296,1340 0.179,1341 14.205,1342 8.598,1343 11.504,1344 0.189,1345 0.102,1346 11.504,1347 6.203,1348 9.43,1349 0.122,1350 0.057,1351 9.43,1352 4.396,1353 7.501,1354 0.081,1355 0.032,1356 7.501,1357 2.978,1358 0.251,1359 103.692,1360 0.198,1361 32.18,1362 0.41,1363 170,1364 471.001,1365 182.902,1366 450.711,1367 605.6,1368 424,1369 194,1370 422.87,1371 206.572,1372 430.016,1373 622.37,1374 405,1375 7.495} {0 CHEMBL68058,1 1.724,2 14.067,3 3.954,4 15.631,5 115.041,6 7.983,7 0.387,8 4.113,9 4.211,10 3.85,11 3.664,12 5.185,13 3.61,14 4.669,15 4.824,16 4.101,17 4.026,18 5.967,19 3.938,20 4.97,21 5.188,22 4.093,23 4.157,24 6.004,25 4.018,26 5.004,27 5.236,28 3.947,29 4.1,30 6.026,31 3.955,32 5.003,33 5.254,34 3.961,35 4.065,36 5.951,37 3.921,38 4.977,39 5.214,40 3.976,41 4.042,42 6.057,43 3.913,44 4.938,45 5.179,46 3.855,47 4.024,48 5.961,49 3.875,50 4.891,51 5.134,52 3.871,53 4.013,54 5.872,55 3.863,56 0.134,57 0.787,58 14.206,59 5.915,60 24.642,61 7.043,62 0.512,63 1.22,64 24.553,65 9.859,66 87.925,67 12.201,68 0.644,69 1.483,70 41.987,71 13.68,72 92.812,73 16.822,74 0.702,75 1.486,76 43.245,77 13.489,78 114.127,79 16.881,80 0.733,81 1.455,82 43.838,83 13.116,84 111.377,85 16.784,86 0.868,87 1.397,88 41.079,89 12.506,90 131.74,91 16.12,92 0.842,93 1.381,94 37.695,95 12.087,96 118.225,97 15.784,98 0.644,99 1.358,100 39.648,101 12.084,102 88.122,103 15.37,104 29,105 40,106 0.284,107 0.601,108 0.78,109 0.886,110 0.886,111 0.886,112 3.439,113 1.135,114 -3.47,115 -3.45,116 -3.3,118 36.8,120 6,121 1,124 2,140 6,142 3,143 2,154 1,163 1,167 1,168 9,169 1,171 1,172 4,175 3,177 2,180 10,181 1,185 1,186 8,191 4,194 9,195 1,198 9,203 4,206 4,207 2,210 7,215 3,218 5,219 1,222 7,223 1,227 4,229 7,230 1,233 1,234 5,237 1,239 2,242 8,247 6,250 1,253 1,255 8,256 1,259 4,260 1,262 1,263 1,264 1,267 8,268 1,270 1772,271 19.766,272 19.766,273 19.766,274 19.766,275 19.766,276 17.77,277 14.591,278 12.194,279 20.282,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.34,286 9.662,287 5.838,288 16.201,289 4.109,290 2.186,291 1.101,292 0.456,293 0.456,294 0.456,295 4.106,297 1,299 1,300 1,301 865,302 4.848,306 258.348,313 1.938,314 44.616,317 1,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.83,325 66.333,326 422,327 4.844,328 4.683,329 7.293,330 4.291,331 3.374,332 4.697,333 2.341,334 12.404,335 3.062,336 3.898,337 3.597,338 5.37,339 3.537,340 2.562,341 3.444,342 0.86,343 7.047,344 2.52,345 3.835,346 2.898,347 5.313,348 3.436,349 2.477,350 3.393,352 6.896,353 2.344,354 3.612,355 2.877,356 5.149,357 3.313,358 2.401,359 2.74,361 6.32,362 2.159,363 3.391,364 2.47,365 4.733,366 3.14,367 2.135,368 2.427,370 5.057,371 2.119,372 3.085,373 1.967,374 4.611,375 2.686,376 1.732,377 2.292,379 4.77,380 1.635,381 2.936,382 1.79,383 3.745,384 2.513,385 1.572,386 2.101,388 3.356,389 1.438,390 2.651,391 1.603,392 3.665,393 2.455,394 1.504,395 1.647,397 3.199,398 1.403,399 2.5,400 1.313,401 3.414,402 2.048,403 1.095,404 1.5,406 2.37,407 1.035,408 2.5,409 1.138,410 3.356,411 2,412 1,413 1.5,415 2.275,416 1,417 2.215,418 1,419 3.247,420 1.956,421 1,422 1.192,424 2.136,425 0.953,426 1.922,427 1,428 3.237,429 1.813,430 0.838,431 0.877,433 1.81,434 0.811,435 1.544,436 0.891,437 2.861,438 1.39,439 0.42,440 0.448,442 0.924,443 0.402,444 1.12,445 0.57,446 2.693,447 0.91,448 -0.031,449 -0.033,451 -0.072,452 -0.029,453 1.082,454 0.386,455 2.543,456 0.621,457 -0.222,458 -0.273,460 -0.488,461 -0.149,462 14.514,463 0.484,464 0.721,465 0.024,466 35,467 1.167,468 17,469 0.567,470 18,471 0.6,472 28.19,473 0.94,474 34.686,475 0.609,476 25.999,477 0.867,478 6.468,479 0.216,480 7.897,481 0.263,482 0.141,483 0.057,484 0.172,487 0.645,488 1.383,489 0.755,490 1.246,491 0.68,492 1.034,493 0.638,494 1.217,495 0.829,496 1.086,497 0.466,498 1.11,499 0.957,500 1.048,501 1.049,502 1.07,503 0.832,504 1.025,505 1.066,506 1.044,507 1.031,508 1.055,509 1.069,510 1.05,511 0.998,512 0.907,513 0.722,514 0.831,515 0.985,516 0.909,517 0.977,518 0.937,519 0.821,520 0.92,521 0.991,522 0.978,523 0.914,524 0.923,525 0.832,526 0.851,527 0.966,528 0.98,529 0.914,530 0.944,531 1.023,532 0.997,533 0.867,534 0.973,535 6.5,536 0.169,537 3.111,538 1.313,539 0.893,540 0.806,541 0.366,542 0.266,543 0.32,544 0.237,545 12931,546 44822,547 1.951,548 47.4,549 7,550 10,552 2,553 2,554 2,555 4,558 1.726,559 1.827,560 3.758,561 0.276,563 1,567 98.244,568 1.724,569 3.647,570 4.732,571 5.377,572 5.377,573 5.377,574 3.191,575 4.24,576 4.88,577 3.95,578 1718.15,579 8.501,580 26657.8,585 332.475,586 1.443,587 4.829,588 0.21,589 0.006,590 0.078,591 0.035,592 0.027,593 0.025,594 0.011,595 0.009,596 0.01,597 0.008,598 0.418,599 0.33,600 0.88,601 1.085,602 159.717,603 0.022,604 -0.108,605 0.131,606 -0.058,607 -0.09,608 0.014,609 0.181,610 -0.081,611 0.001,612 -0.065,613 0.268,614 -0.116,615 -0.071,616 -0.047,617 -0.048,618 -0.025,619 -0.016,620 -0.018,621 -0.13,622 -0.077,623 -0.096,624 -0.07,625 -0.087,626 -0.066,627 -0.09,628 0.029,629 0.082,630 0.078,631 -0.088,632 0.061,633 -0.002,634 -0.012,635 0.035,636 -0.013,637 -0.025,638 -0.008,639 0.002,640 0.021,641 -0.016,642 0.049,643 -0.069,644 -0.012,645 -0.069,646 0.049,647 -0.055,648 0.003,649 -0.071,650 0.019,651 4.473,652 5.253,653 0.4,654 34.133,655 1.013,656 1.128,657 2.242,658 5.027,659 0.661,660 3.466,661 3.714,662 3.807,663 3.892,664 4.025,665 3.951,666 3.829,667 3.784,668 3.829,669 3.829,670 8.352,671 0.622,672 455.02,673 3.466,674 4.963,675 5.74,676 6.564,677 7.361,678 8.189,679 8.994,680 9.826,681 10.637,682 11.472,683 3.5,685 1,693 1,699 8,700 1,704 3,706 12,722 1,723 1,724 57,726 15,727 1,728 31,730 58,731 21,733 11,734 2,735 4,739 2,740 2,741 1,751 6,753 12,754 9,755 1,756 3,760 1,761 3,765 1,769 1,772 27,773 7,774 2,775 9,776 2,779 2,784 1,785 5,795 1,802 2,818 1,830 1,832 2,834 1,837 1,840 30,844 1,845 1,846 8,847 1,848 1,850 1,861 1,862 8.8,864 1,865 3,867 1,869 16.417,870 9.626,871 6.792,872 3.469,874 1.666,875 1.25,876 0.916,877 10.417,878 8.336,879 3.714,880 4.22,881 4.543,882 4.913,883 5.336,884 5.266,885 5.16,886 4.805,887 4.914,888 5.037,889 1,890 38,891 11.336,893 4.889,894 8.068,895 20.977,897 16.807,899 2.568,900 77.028,903 1,904 294.278,905 113.87,906 33.191,907 39.149,908 123.141,910 5.807,911 108.062,912 456.567,913 33.191,915 21.905,916 79.07,917 153.379,918 39.389,920 270.735,921 39.149,922 294.278,923 141.253,924 123.141,925 44.956,927 247.193,928 170.226,931 56.405,932 68.062,933 61.742,935 294.278,936 156.332,937 153.018,939 5.807,940 294.278,941 33.11,942 74.952,943 16.405,944 179.075,945 294.278,946 156.332,947 153.018,949 0.566,950 0.297,951 0.14,952 0.078,953 14,954 7,955 0.241,956 14,958 1,959 4.29,960 226.838,962 12,963 141.207,967 1,968 24.451,969 12.781,970 9.701,972 156.332,973 12.939,974 3.993,978 1.346,980 59.088,981 603.628,982 40,986 -3.556,987 35.423,991 -0.816,994 57.727,995 64.305,996 0.295,997 0.625,998 0.811,999 0.922,1000 0.922,1001 0.922,1002 4.913,1003 1.504,1004 5.714,1005 3.356,1006 4.394,1007 4.905,1008 2.402,1009 6.447,1010 4.282,1011 6.097,1012 1.095,1013 7.236,1014 3.199,1015 4.007,1016 4.879,1017 2.243,1018 7.591,1019 3.756,1020 7.405,1021 1,1022 8.885,1023 2.37,1024 5.964,1025 7.1,1026 3.657,1027 10.542,1028 5.717,1029 8.76,1030 1,1031 10.622,1032 2.275,1033 6.431,1034 7.957,1035 4.112,1036 12.635,1037 6.016,1038 10.161,1039 0.838,1040 12.423,1041 2.136,1042 7.891,1043 9.729,1044 5.206,1045 15.247,1046 7.467,1047 11.596,1048 0.42,1049 14.273,1050 1.81,1051 8.762,1052 10.971,1053 5.889,1054 17.644,1055 8.167,1056 13.06,1057 -0.031,1058 16.159,1059 0.924,1060 10.042,1061 12.595,1062 6.849,1063 20.185,1064 9.408,1065 3.374,1066 -0.222,1067 18.072,1068 -0.072,1069 11.103,1070 14.006,1071 7.625,1072 22.668,1073 10.313,1074 2.562,1075 12.404,1076 20.006,1077 -0.488,1078 12.326,1079 15.578,1080 8.526,1081 25.192,1082 11.466,1083 2.477,1084 7.047,1085 21.954,1086 4.697,1087 13.472,1088 17.064,1089 9.342,1090 27.7,1091 12.476,1092 2.401,1093 6.896,1094 23.914,1095 3.444,1096 14.68,1097 18.617,1098 10.216,1099 30.22,1100 13.598,1101 2.135,1102 6.32,1103 25.88,1104 3.393,1105 15.864,1106 20.136,1107 11.051,1108 32.735,1109 14.66,1110 1.732,1111 5.057,1112 27.853,1113 2.74,1114 17.072,1115 21.684,1116 11.912,1117 35.253,1118 15.772,1119 1.572,1120 4.77,1121 29.829,1122 2.427,1123 18.272,1124 23.218,1125 12.755,1126 37.77,1127 16.86,1128 12899,1129 24230,1130 20.049,1131 37.688,1132 44.316,1133 46.138,1134 45.114,1135 44.497,1136 44.219,1137 56.516,1138 6.402,1139 117.127,1140 41.766,1141 5.81,1142 6.683,1143 7.095,1144 5.343,1145 5.374,1146 7.697,1147 3.925,1148 19.553,1149 5.062,1150 16.666,1151 1.43,1152 1.488,1153 1.455,1154 1.435,1155 1.426,1156 1.823,1157 0.207,1158 3.778,1159 1.347,1160 4.074,1161 4.054,1162 4.735,1163 4.063,1164 7.717,1165 3.974,1166 3.889,1167 3.925,1168 3.925,1169 3.763,1170 7.474,1171 3.765,1172 3.804,1173 3.852,1174 3.814,1175 3.692,1176 6.999,1177 3.686,1178 3.676,1179 3.707,1180 3.688,1181 3.586,1182 6.351,1183 3.53,1184 3.535,1185 3.548,1186 3.445,1187 3.389,1188 4.966,1189 3.361,1190 3.438,1191 3.475,1192 3.314,1193 3.242,1194 4.925,1195 3.245,1196 3.16,1197 3.209,1198 3.159,1199 2.938,1200 4.429,1201 2.936,1202 2.932,1203 2.993,1204 3.008,1205 2.735,1206 4.273,1207 2.715,1208 0.156,1209 0.151,1210 0.235,1211 0.138,1212 0.109,1213 4.844,1214 0.152,1215 4.683,1216 0.076,1217 7.293,1218 0.4,1219 4.291,1220 0.099,1221 3.374,1222 4.697,1223 2.341,1224 12.404,1225 3.062,1226 1.954,1227 1.965,1228 2.064,1229 2.029,1230 1.459,1231 2.069,1232 1.849,1233 1.805,1234 1.954,1235 1.993,1236 1.222,1237 2.013,1238 1.791,1239 1.751,1240 1.92,1241 1.935,1242 1.127,1243 1.937,1244 1.621,1245 1.578,1246 1.853,1247 1.805,1248 0.964,1249 1.827,1250 1.432,1251 1.427,1252 1.669,1253 1.663,1254 0.892,1255 1.663,1256 1.374,1257 1.343,1258 1.507,1259 1.562,1260 0.781,1261 1.601,1262 1.105,1263 1.052,1264 1.216,1265 1.35,1266 0.52,1267 1.371,1268 0.886,1269 0.821,1270 1.181,1271 1.177,1272 0.343,1273 1.179,1274 4.143,1276 5.407,1278 6.845,1280 8.361,1282 9.922,1285 5.789,1289 8.966,1290 4.496,1291 2.587,1292 5.662,1294 0.2,1300 35.48,1301 98.244,1302 207.868,1303 269.746,1304 306.475,1305 306.475,1306 306.475,1307 103.765,1308 6.671,1309 105.59,1310 113.97,1311 12,1312 12.047,1313 4,1314 3.322,1315 69.403,1316 150,1317 140,1318 0.213,1319 229.965,1320 406.53,1321 552.874,1322 7051,1323 1.8,1324 21.822,1325 0.727,1326 0.608,1327 22.572,1328 18.239,1329 14.365,1330 0.463,1331 0.378,1332 9.898,1333 12.732,1334 9.57,1335 7.934,1336 15.475,1337 11.726,1338 12.817,1339 0.32,1340 0.229,1341 14.549,1342 9.175,1343 9.156,1344 0.208,1345 0.145,1346 10.552,1347 6.38,1348 6.609,1349 0.138,1350 0.087,1351 7.642,1352 4.198,1353 5.081,1354 0.092,1355 0.055,1356 6.042,1357 3.016,1358 0.35,1359 101.566,1360 0.223,1361 29.366,1362 0.546,1363 142,1364 494.134,1365 209.454,1366 516.037,1367 659.87,1368 472,1369 155,1370 403.637,1371 221.352,1372 449.286,1373 639.64,1374 420,1375 8.456} {0 CHEMBL70901,1 1.436,2 7.048,3 2.534,4 6.421,5 81.904,6 6.661,7 0.261,8 3.835,9 3.969,10 3.298,11 3.392,12 4.844,13 3.343,14 4.43,15 4.608,16 3.692,17 3.861,18 5.381,19 3.771,20 4.828,21 5.057,22 3.839,23 4.081,24 5.748,25 3.969,26 4.929,27 5.165,28 3.854,29 4.118,30 5.962,31 3.993,32 4.968,33 5.22,34 3.781,35 4.106,36 5.903,37 3.967,38 4.92,39 5.195,40 3.573,41 3.961,42 5.845,43 3.794,44 4.677,45 4.974,46 3.175,47 3.568,48 5.718,49 3.383,50 4.193,51 4.508,52 2.453,53 2.925,54 5.233,55 2.735,56 0.042,57 0.615,58 9.927,59 4.265,60 7.025,61 5.902,62 0.159,63 1.033,64 18.476,65 7.95,66 22.94,67 11.099,68 0.212,69 1.393,70 28.495,71 10.89,72 42.178,73 15.48,74 0.363,75 1.49,76 31.919,77 11.734,78 80.517,79 16.789,80 0.323,81 1.512,82 33.41,83 11.927,84 62.071,85 17.186,86 0.318,87 1.382,88 32.144,89 10.994,90 58.93,91 16.151,92 0.391,93 1.013,94 25.823,95 7.953,96 73.821,97 11.889,98 0.291,99 0.592,100 16.312,101 4,102 51.781,103 6.357,104 10,105 33,106 0.254,107 0.554,108 0.682,109 0.79,110 0.813,111 0.813,112 3.106,113 1.021,114 -3.62,115 -3.59,116 -3.42,118 39.5,120 7,121 1,122 1,140 4,141 1,142 1,154 2,159 1,160 1,161 1,168 14,172 2,175 2,177 4,180 18,183 2,186 4,191 5,194 19,196 2,197 1,198 6,203 5,206 17,208 1,210 6,215 5,218 14,220 1,222 5,227 3,229 7,232 2,234 4,236 1,237 1,238 1,239 3,241 1,242 2,245 3,247 1,252 2,257 2,261 1,262 1,264 1,269 1,270 610,271 14.109,272 14.109,273 14.109,274 14.109,275 14.109,276 13.1,277 13.858,278 8.247,279 14.133,280 11.297,281 11.297,282 11.297,283 11.297,284 11.297,285 9.731,286 16.078,287 3.842,288 11.312,289 3.991,290 2.299,291 1.576,292 0.965,293 0.837,294 0.837,295 3.781,298 1,299 1,300 1,301 314,302 2.345,306 199.546,313 0.921,314 24.354,315 1,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 45,326 148,327 4.797,328 4.225,329 8.217,330 4.709,331 3.707,332 4.052,333 2.041,334 16.066,335 3.714,336 3.88,337 3.536,338 5.599,339 3.473,340 2.483,341 3.369,342 1.837,343 6.861,344 2.456,345 3.64,346 2.994,347 5.51,348 3.379,349 2.376,350 2.826,351 0.242,352 6.685,353 2.374,354 3.26,355 2.515,356 5.008,357 3.11,358 2.109,359 2.417,361 5.819,362 2.108,363 3.178,364 2.182,365 4.861,366 2.779,367 1.755,368 2.242,370 4.94,371 1.784,372 2.665,373 1.654,374 4.357,375 2.488,376 1.483,377 1.65,379 3.727,380 1.485,381 2.5,382 1.267,383 3.667,384 2.138,385 1.141,386 1.5,388 2.74,389 1.136,390 2.185,391 1,392 3.414,393 2,394 1,395 1.172,397 2.275,398 1,399 2,400 1,401 3.247,402 2,403 1,404 1,406 2.136,407 1,408 1.523,409 0.943,410 3.151,411 1.289,412 0.255,413 0.299,415 0.587,416 0.261,417 1.018,418 0.797,419 2.802,420 0.694,421 -0.285,422 -0.344,424 -0.633,425 -0.278,426 1,427 0.014,428 2.775,429 0.539,430 -0.514,431 -0.646,433 -1.248,434 -0.531,435 0.5,436 -0.449,437 2.152,438 0.232,439 -0.78,440 -0.811,442 -1.764,443 -0.786,444 0.287,445 -0.652,446 2,448 -1,449 -1,451 -2.347,452 -1,453 0.041,454 -0.813,455 1.656,457 -1,458 -1.386,460 -2.985,461 -1,462 9.967,463 0.475,464 0.546,465 0.026,466 22.25,467 1.06,468 9.5,469 0.452,470 12.75,471 0.607,472 20.586,473 0.98,474 23.633,475 0.55,476 14.895,477 0.709,478 3.694,479 0.176,480 6.432,481 0.306,482 0.107,483 0.05,484 0.251,487 0.688,488 1.138,489 0.904,490 1.055,491 0.586,492 1.004,493 0.384,494 1.184,495 0.894,496 1.18,497 0.445,498 1.122,499 0.859,500 1.062,501 0.945,502 1.059,503 0.856,504 1.022,505 0.879,506 1.072,507 0.997,508 1.086,509 0.855,510 1.063,511 1.054,512 1.03,513 1.038,514 1.044,515 1.019,516 1.042,517 1.03,518 1.048,519 1.035,520 1.058,521 1.007,522 1.05,523 1.21,524 0.916,525 1.031,526 0.938,527 1.274,528 0.961,529 1.884,530 0.787,531 1.217,532 0.732,533 1.933,534 0.851,535 5,537 3.333,538 2.188,539 1.116,540 0.736,541 0.682,542 0.22,543 0.123,544 0.016,545 3629,546 8594,547 2.062,548 51.2,549 13,550 4,553 3,554 2,558 1.643,559 1.924,560 2.795,561 1.015,562 1,563 1,565 1,567 61.735,568 1.436,569 3.127,570 3.85,571 4.461,572 4.589,573 4.589,574 2.201,575 3.88,576 4.361,577 2.914,578 611.943,579 7.532,580 6251.86,582 1,584 1,585 233.329,586 1.565,587 4.311,588 0.217,590 0.101,591 0.059,592 0.031,593 0.022,594 0.027,595 0.015,596 0.02,597 0.008,598 0.501,599 0.67,600 1,601 0.61,602 91.307,603 -0.066,604 0.126,605 0.022,606 0.106,607 -0.026,608 0.085,609 0.194,610 -0.048,611 0.023,612 -0.054,613 0.094,614 -0.046,615 -0.033,616 -0.037,617 0.007,618 -0.022,619 -0.026,620 -0.004,621 0.055,622 -0.075,623 -0.031,624 -0.073,625 0.084,626 -0.064,627 -0.086,628 -0.059,629 -0.067,630 -0.055,631 -0.073,632 -0.058,633 -0.062,634 -0.118,635 -0.061,636 -0.104,637 -0.056,638 -0.085,639 0.002,640 -0.037,641 -0.02,642 -0.049,643 -0.016,644 -0.043,645 -0.292,646 0.084,647 -0.147,648 0.06,649 -0.275,650 -0.009,651 1.818,652 5.748,653 0.857,654 13.478,655 0.993,656 1.129,657 2.389,658 5.708,659 0.64,660 3.178,661 3.526,662 3.85,663 4.127,664 4.369,665 4.407,666 4.443,667 4.344,668 4.174,669 3.892,670 4.402,671 0.599,672 286.41,673 3.178,674 4.727,675 5.602,676 6.509,677 7.414,678 8.334,679 9.251,680 10.175,681 11.098,682 12.025,683 4.7,687 1,690 1,699 4,704 2,706 6,716 1,724 43,726 8,727 1,728 23,730 45,731 17,733 6,734 2,735 4,739 3,740 3,746 1,747 1,748 7,749 1,751 7,753 8,754 9,755 1,756 2,761 2,765 2,768 1,769 1,772 22,773 4,774 3,775 4,779 2,782 1,784 1,785 2,802 3,832 3,840 21,841 1,846 7,847 1,850 1,852 1,862 4.7,865 2,869 10.917,870 7.333,871 4.625,872 2.889,874 1.084,875 1.167,876 0.957,877 3.921,878 7.561,879 3.367,880 3.861,881 4.321,882 4.791,883 5.219,884 5.359,885 5.564,886 5.619,887 5.583,888 5.468,889 0.8,890 37,891 7.872,893 3.489,894 7.798,895 15.291,897 13.414,899 2.298,900 48.25,901 0.001,904 223.651,905 70.998,906 50.908,908 50.29,911 70.998,912 273.941,913 50.908,915 35.752,916 70.802,917 59.699,918 5.942,920 223.651,922 223.651,923 121.906,924 50.29,927 223.651,928 50.29,931 35.752,932 86.154,935 223.651,936 101.198,937 70.998,940 223.651,941 33.093,942 37.905,943 18.011,944 83.187,945 223.651,946 101.198,947 70.998,949 0.585,950 0.354,951 0.2,952 0.116,953 17,954 7,955 0.044,956 2,958 1,959 3.161,960 170.818,962 18,963 84.239,968 14.432,969 5.706,970 2.541,972 101.198,973 7.617,978 1.707,980 50.908,981 395.847,982 28,987 24.326,991 -0.266,994 42.694,995 48.567,996 0.265,997 0.576,998 0.71,999 0.822,1000 0.846,1001 0.846,1002 4.64,1003 1,1004 5.631,1005 2.74,1006 4.205,1007 4.543,1008 2.617,1009 6.572,1010 4.204,1011 5.83,1012 1,1013 7.281,1014 2.275,1015 4.007,1016 4.407,1017 2.179,1018 8.157,1019 4.014,1020 7.16,1021 0.255,1022 9.073,1023 2.136,1024 5.948,1025 6.587,1026 3.673,1027 11.342,1028 5.946,1029 8.532,1030 -0.285,1031 10.963,1032 0.587,1033 6.661,1034 7.256,1035 3.773,1036 13.843,1037 6.668,1038 9.95,1039 -0.514,1040 12.923,1041 -0.633,1042 8.145,1043 8.976,1044 4.881,1045 16.708,1046 8.147,1047 11.4,1048 -0.78,1049 14.932,1050 -1.248,1051 9.24,1052 10.003,1053 5.246,1054 19.427,1055 9.25,1056 12.875,1057 -1,1058 16.973,1059 -1.764,1060 10.591,1061 11.548,1062 6.162,1063 22.224,1064 10.599,1065 3.707,1066 -1,1067 19.037,1068 -2.347,1069 11.828,1070 12.746,1071 6.672,1072 24.988,1073 11.842,1074 2.483,1075 16.066,1076 21.116,1077 -2.985,1078 13.144,1079 14.216,1080 7.487,1081 27.769,1082 13.159,1083 2.376,1084 6.861,1085 23.204,1086 4.052,1087 14.43,1088 15.501,1089 8.078,1090 30.543,1091 14.448,1092 2.109,1093 6.685,1094 25.298,1095 3.369,1096 15.739,1097 16.935,1098 8.839,1099 33.321,1100 15.759,1101 1.755,1102 5.819,1103 27.396,1104 2.826,1105 17.041,1106 18.268,1107 9.477,1108 36.097,1109 17.063,1110 1.483,1111 4.94,1112 29.497,1113 2.417,1114 18.35,1115 19.684,1116 10.21,1117 38.874,1118 18.374,1119 1.141,1120 3.727,1121 31.6,1122 2.242,1123 19.657,1124 21.044,1125 10.875,1126 41.651,1127 19.683,1128 3614,1129 5644,1130 15.197,1131 27.534,1132 34.907,1133 36.534,1134 36.672,1135 34.645,1136 34.618,1137 41.053,1138 8.239,1139 103.669,1140 34.636,1141 5.797,1142 6.225,1143 8.019,1144 5.747,1145 5.707,1146 7.052,1147 3.56,1148 24.022,1149 5.714,1150 9.448,1151 1.518,1152 1.588,1153 1.594,1154 1.506,1155 1.505,1156 1.785,1157 0.358,1158 4.507,1159 1.506,1160 4.044,1161 4.076,1162 3.978,1163 3.966,1164 7.446,1165 3.964,1166 3.809,1167 3.858,1168 3.708,1169 3.717,1170 7.41,1171 3.706,1172 3.705,1173 3.751,1174 3.596,1175 3.538,1176 5.111,1177 3.545,1178 3.25,1179 3.297,1180 3.159,1181 3.083,1182 4.513,1183 3.09,1184 3.111,1185 3.206,1186 2.954,1187 2.941,1188 4.243,1189 2.91,1190 3.079,1191 3.14,1192 2.866,1193 2.784,1194 3.987,1195 2.817,1196 2.972,1197 3.077,1198 2.783,1199 2.759,1200 3.674,1201 2.759,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.545,1207 2.715,1208 0.209,1209 0.184,1210 0.357,1211 0.205,1212 0.161,1213 4.797,1214 0.176,1215 4.225,1216 0.089,1217 8.217,1218 0.699,1219 4.709,1220 0.161,1221 3.707,1222 4.052,1223 2.041,1224 16.066,1225 3.714,1226 2.008,1227 1.98,1228 2.15,1229 2.114,1230 1.554,1231 2.125,1232 1.822,1233 1.777,1234 2,1235 1.947,1236 1.265,1237 1.969,1238 1.662,1239 1.617,1240 1.847,1241 1.857,1242 1.005,1243 1.852,1244 1.213,1245 1.164,1246 1.513,1247 1.422,1248 0.825,1249 1.435,1250 1.153,1251 1.064,1252 1.476,1253 1.376,1254 0.803,1255 1.429,1256 0.967,1257 0.906,1258 1.25,1259 1.305,1260 0.367,1261 1.283,1262 0.945,1263 0.864,1264 1.189,1265 1.247,1266 0.218,1267 1.264,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.151,1273 1.107,1274 3.85,1276 5.187,1278 6.76,1280 8.445,1282 10.19,1288 5.78,1290 6.747,1291 2.571,1294 0.322,1296 -0.554,1300 25.74,1301 61.735,1302 134.461,1303 165.555,1304 191.82,1305 197.329,1306 197.329,1307 46.15,1308 6.477,1309 72.19,1310 72.19,1311 18,1312 12.53,1313 3.17,1314 2.585,1315 31.714,1316 50,1317 65,1318 0.3,1319 158.604,1320 281.06,1321 378.754,1322 3981,1324 14.872,1325 0.708,1326 0.582,1327 14.872,1328 12.23,1329 10.126,1330 0.44,1331 0.34,1332 7.776,1333 9.891,1334 7.63,1335 6.289,1336 10.126,1337 7.831,1338 9.185,1339 0.278,1340 0.191,1341 9.185,1342 6.306,1343 7.885,1344 0.171,1345 0.112,1346 7.885,1347 5.132,1348 6.668,1349 0.109,1350 0.066,1351 6.668,1352 4.001,1353 5.463,1354 0.07,1355 0.039,1356 5.463,1357 3.05,1358 0.437,1359 62.607,1360 0.257,1361 20.032,1362 0.945,1363 112,1364 277.116,1365 119.509,1366 270.191,1367 362.32,1368 250,1369 135,1370 260.371,1371 141.818,1372 264.414,1373 387.86,1374 250,1375 6.824} {0 CHEMBL7718,1 1.517,2 11.067,3 4.085,4 16.686,5 118.802,6 7.115,7 0.387,8 4.097,9 4.228,10 3.597,11 3.62,12 5.276,13 3.588,14 4.588,15 4.778,16 3.909,17 3.975,18 5.754,19 3.909,20 4.864,21 5.087,22 3.898,23 4.126,24 5.897,25 4.026,26 4.948,27 5.211,28 3.968,29 4.143,30 5.916,31 4.035,32 4.91,33 5.127,34 4.017,35 4.209,36 5.98,37 4.126,38 5.057,39 5.307,40 4.044,41 4.298,42 6.066,43 4.175,44 5.015,45 5.256,46 3.958,47 4.233,48 6.092,49 4.109,50 4.985,51 5.255,52 3.905,53 4.098,54 6.025,55 3.982,56 0.044,57 0.824,58 11.964,59 4.958,60 15.849,61 6.82,62 0.278,63 1.255,64 20.978,65 8.364,66 49.785,67 11.741,68 0.303,69 1.548,70 28.935,71 9.829,72 57.139,73 14.374,74 0.295,75 1.601,76 32.507,77 11.532,78 61.062,79 17.058,80 0.347,81 1.675,82 30.079,83 9.857,84 54.134,85 14.543,86 0.232,87 1.828,88 35.374,89 13.127,90 57.472,91 19.379,92 0.289,93 1.774,94 33.794,95 11.722,96 72.544,97 17.44,98 0.246,99 1.583,100 34.1,101 11.503,102 56.642,103 17.191,104 64,105 41,106 0.248,107 0.623,108 0.775,109 0.836,110 0.842,111 0.842,112 3.44,113 0.942,114 -4.3,115 -4.23,116 -4,118 40.4,119 3,120 3,129 1,133 1,134 1,140 6,141 2,142 1,143 2,154 2,155 1,163 1,167 1,168 12,169 1,172 6,175 4,176 1,177 3,180 17,181 1,186 3,191 3,194 14,195 1,197 1,198 5,201 1,203 11,206 13,207 1,210 6,215 5,218 12,219 1,222 10,227 5,229 14,230 2,234 8,237 1,239 6,242 10,243 3,247 7,248 1,252 6,255 7,256 2,258 2,259 6,262 2,264 4,265 1,267 6,268 1,270 1696,271 19.646,272 19.646,273 19.646,274 19.646,275 19.646,276 17.391,277 20.636,278 12.141,279 19.967,280 15.351,281 15.351,282 15.351,283 15.351,284 15.351,285 11.948,286 28.701,287 5.767,288 15.837,289 4.316,290 2.025,291 1.102,292 0.724,293 0.689,294 0.689,295 4.105,299 1,300 1,301 663,302 4.95,306 231.971,313 1.809,314 26.385,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 64.5,326 332,327 4.394,328 3.922,329 6.509,330 4.104,331 3.141,332 3.988,333 2.341,334 10.235,335 3.03,336 4.256,337 3.596,338 6.456,339 4.023,340 3.026,341 3.533,342 1.374,343 10.191,344 3.012,345 3.922,346 3.376,347 5.58,348 3.547,349 2.586,350 3.375,351 1.107,352 7.657,353 2.492,354 3.635,355 3.052,356 5.224,357 3.237,358 2.241,359 2.865,360 0.268,361 6.465,362 2.219,363 3.551,364 2.797,365 4.868,366 3.191,367 2.231,368 2.709,370 5.482,371 2.124,372 3.465,373 2.401,374 4.659,375 2.918,376 1.956,377 2.58,379 5.182,380 1.873,381 3.251,382 2.075,383 4.114,384 2.565,385 1.577,386 2.153,388 3.728,389 1.553,390 2.966,391 1.845,392 3.564,393 2.377,394 1.398,395 1.795,397 2.947,398 1.365,399 2.725,400 1.476,401 3.496,402 2.185,403 1.195,404 1.7,406 2.623,407 1.182,408 2.636,409 1.208,410 3.261,411 1.957,412 1.023,413 1.653,415 2.136,416 0.954,417 2.5,418 1.101,419 3.247,420 1.933,421 1,422 1.5,424 1.925,425 0.93,426 2.204,427 1,428 3.215,429 1.801,430 0.804,431 1.062,433 1.754,434 0.799,435 1.318,436 0.669,437 3.025,438 1.123,439 0.122,440 0.136,442 0.279,443 0.121,444 1.295,445 0.585,446 2.591,447 0.88,448 -0.057,449 -0.071,451 -0.162,452 -0.054,453 1.223,454 0.3,455 2.323,456 0.57,457 -0.341,458 -0.472,460 -0.617,461 -0.31,462 14.167,463 0.472,464 0.805,465 0.027,466 38.25,467 1.275,468 20,469 0.667,470 18.25,471 0.608,472 26.684,473 0.889,474 32.633,475 0.573,476 30.54,477 1.018,478 7.458,479 0.249,480 6.823,481 0.227,482 0.181,483 0.035,484 0.212,487 0.857,488 1.321,489 0.874,490 1.113,491 0.683,492 1.013,493 0.42,494 1.043,495 0.81,496 1.059,497 0.345,498 1.002,499 1.124,500 1.079,501 1.174,502 1.06,503 0.933,504 1.107,505 0.647,506 0.972,507 0.739,508 0.883,509 0.561,510 0.839,511 1.187,512 0.99,513 1.187,514 0.957,515 0.84,516 1.036,517 0.589,518 1.095,519 0.892,520 1.053,521 0.598,522 1.021,523 0.802,524 1.117,525 1.135,526 1.17,527 1.101,528 1.182,529 0.799,530 1.05,531 0.837,532 1.019,533 0.682,534 0.942,535 7,536 0.223,537 2.222,538 2.063,539 1.093,540 0.868,541 0.606,542 0.595,543 0.427,544 0.313,545 10427,546 30930,547 1.932,548 47.4,549 4,550 7,552 2,553 3,554 2,555 9,558 1.734,559 1.791,560 3.421,561 0.867,563 1,567 86.441,568 1.517,569 3.808,570 4.731,571 5.109,572 5.144,573 5.144,574 2.886,575 4.482,576 4.874,577 3.658,578 1591.42,579 8.54,580 22869.4,582 1,584 1,585 332.475,586 1.557,587 4.817,588 0.226,589 0.008,590 0.054,591 0.053,592 0.025,593 0.019,594 0.013,595 0.015,596 0.011,597 0.009,598 0.434,599 0.17,600 1,601 1.977,602 154.86,603 -0.079,604 -0.106,605 0.007,606 -0.009,607 -0.046,608 0.007,609 0.315,610 0.067,611 0.104,613 0.247,614 0.014,615 -0.21,616 -0.01,617 -0.221,618 -0.064,619 -0.174,620 -0.13,621 0.091,622 -0.016,623 0.224,624 0.124,625 0.077,626 0.176,627 -0.264,628 0.131,629 -0.235,630 0.024,631 -0.142,632 -0.075,633 0.012,634 -0.105,635 0.042,636 -0.024,637 0.02,638 0.006,639 -0.08,640 -0.071,641 -0.192,642 -0.177,643 -0.166,644 -0.192,645 0.045,646 -0.114,647 0.144,648 -0.035,649 0.101,650 0.058,651 2.465,652 3.805,653 0.4,654 32.871,655 0.998,656 1.131,657 3.065,658 9.395,659 0.655,660 3.466,661 3.738,662 3.829,663 4.078,664 4.234,665 4.277,666 4.357,667 4.477,668 4.466,669 4.477,670 7.003,671 0.62,672 405.55,673 3.466,674 4.977,675 5.759,676 6.616,677 7.424,678 8.289,679 9.11,680 9.979,681 10.808,682 11.679,683 8.8,685 1,688 1,692 2,693 1,699 8,700 1,704 3,706 12,717 1,724 57,726 16,727 1,728 31,730 58,731 23,733 11,734 2,735 4,736 2,739 2,740 2,743 1,745 3,751 3,752 1,753 15,754 7,755 1,756 3,761 1,763 1,764 1,765 3,769 1,772 27,773 7,774 3,775 7,779 5,784 1,785 2,795 1,802 2,818 1,822 1,823 1,826 1,830 1,832 2,836 3,840 30,845 1,846 3,847 2,852 1,853 1,858 1,860 1,862 3.5,864 1,865 1,869 16.75,870 10.967,871 6.764,872 3.319,874 2.473,875 1.361,876 0.906,877 8.586,878 9.331,879 3.761,880 4.248,881 4.663,882 5.203,883 5.664,884 5.869,885 6.22,886 6.568,887 6.8,888 7.048,889 1,890 39,891 11.002,893 4.416,894 7.908,895 20.723,897 15.992,899 2.408,900 72.25,902 1,903 1,904 282.506,905 149.803,906 100.652,908 67.828,911 149.803,912 350.335,913 100.652,914 26.476,915 7.604,916 84.344,917 143.25,918 78.253,919 1.899,920 258.964,922 282.506,923 250.455,924 67.828,927 176.567,928 173.768,931 118.03,932 88.153,933 44.273,935 282.506,936 168.48,937 149.803,940 282.506,941 22.726,942 110.904,943 52.194,944 132.459,945 282.506,946 168.48,947 149.803,949 0.563,950 0.281,951 0.158,952 0.088,953 15,954 8,955 0.172,956 10,958 1,959 4.02,960 244.118,962 12,963 142.452,968 23.126,969 11.138,970 8.405,972 168.48,973 15.103,974 4.207,978 2.678,980 78.705,981 600.79,982 42,987 10.805,989 2.038,990 4.495,991 0.545,994 56.883,995 64.478,996 0.26,997 0.653,998 0.811,999 0.876,1000 0.882,1001 0.882,1002 4.984,1003 1.398,1004 5.753,1005 3.728,1006 4.419,1007 4.934,1008 2.745,1009 6.515,1010 4.363,1011 6.191,1012 1.195,1013 7.28,1014 2.947,1015 4.111,1016 4.62,1017 2.331,1018 7.564,1019 4.038,1020 7.485,1021 1.023,1022 8.918,1023 2.623,1024 6.009,1025 6.999,1026 3.836,1027 10.498,1028 5.904,1029 8.809,1030 1,1031 10.624,1032 2.136,1033 6.479,1034 7.425,1035 4.148,1036 12.336,1037 6.357,1038 10.158,1039 0.804,1040 12.373,1041 1.925,1042 7.905,1043 9.327,1044 5.275,1045 14.86,1046 7.757,1047 11.527,1048 0.122,1049 14.151,1050 1.754,1051 8.726,1052 10.135,1053 5.902,1054 16.992,1055 8.559,1056 12.912,1057 -0.057,1058 15.949,1059 0.279,1060 9.967,1061 11.801,1062 6.873,1063 19.385,1064 9.776,1065 3.141,1066 -0.341,1067 17.763,1068 -0.162,1069 10.952,1070 12.831,1071 7.63,1072 21.631,1073 10.741,1074 3.026,1075 10.235,1076 19.588,1077 -0.617,1078 12.118,1079 14.366,1080 8.533,1081 23.978,1082 11.885,1083 2.586,1084 10.191,1085 21.421,1086 3.988,1087 13.18,1088 15.53,1089 9.344,1090 26.27,1091 12.924,1092 2.241,1093 7.657,1094 23.262,1095 3.533,1096 14.319,1097 16.991,1098 10.218,1099 28.601,1100 14.041,1101 2.231,1102 6.465,1103 25.107,1104 3.375,1105 15.416,1106 18.236,1107 11.051,1108 30.911,1109 15.114,1110 1.956,1111 5.482,1112 26.957,1113 2.865,1114 16.546,1115 19.657,1116 11.913,1117 33.237,1118 16.221,1119 1.577,1120 5.182,1121 28.811,1122 2.709,1123 17.66,1124 20.952,1125 12.756,1126 35.554,1127 17.31,1128 10752,1129 18634,1130 19.761,1131 37.313,1132 46.496,1133 48.164,1134 45.658,1135 44.675,1136 44.602,1137 58.1,1138 10.181,1139 121.204,1140 43.308,1141 5.221,1142 5.922,1143 6.31,1144 5.14,1145 5.141,1146 6.988,1147 3.925,1148 17.041,1149 5.03,1150 18.283,1151 1.5,1152 1.554,1153 1.473,1154 1.441,1155 1.439,1156 1.874,1157 0.328,1158 3.91,1159 1.397,1160 4.012,1161 4.044,1162 3.96,1163 3.95,1164 7.474,1165 3.948,1166 3.824,1167 3.876,1168 3.761,1169 3.716,1170 6.826,1171 3.719,1172 3.746,1173 3.801,1174 3.652,1175 3.604,1176 6.351,1177 3.604,1178 3.695,1179 3.739,1180 3.578,1181 3.549,1182 4.929,1183 3.544,1184 3.449,1185 3.526,1186 3.361,1187 3.24,1188 4.802,1189 3.258,1190 3.373,1191 3.406,1192 3.29,1193 3.164,1194 4.626,1195 3.196,1196 3.078,1197 3.146,1198 2.996,1199 2.855,1200 4.249,1201 2.88,1202 3.007,1203 3.058,1204 2.889,1205 2.814,1206 4.119,1207 2.826,1208 0.142,1209 0.127,1210 0.21,1211 0.132,1212 0.101,1213 4.394,1214 0.129,1215 3.922,1216 0.076,1217 6.509,1218 0.33,1219 4.104,1220 0.098,1221 3.141,1222 3.988,1223 2.341,1224 10.235,1225 3.03,1226 1.978,1227 1.954,1228 2.075,1229 2.061,1230 1.283,1231 2.066,1232 1.798,1233 1.759,1234 1.969,1235 1.952,1236 1.143,1237 1.955,1238 1.727,1239 1.667,1240 1.918,1241 1.879,1242 1.119,1243 1.895,1244 1.677,1245 1.627,1246 1.887,1247 1.854,1248 0.942,1249 1.868,1250 1.359,1251 1.311,1252 1.535,1253 1.625,1254 0.674,1255 1.596,1256 1.3,1257 1.237,1258 1.45,1259 1.53,1260 0.469,1261 1.517,1262 0.992,1263 0.948,1264 1.417,1265 1.253,1266 0.469,1267 1.308,1268 0.953,1269 0.888,1270 1.417,1271 1.239,1272 0.39,1273 1.308,1274 4.143,1276 5.425,1278 6.876,1280 8.41,1282 9.991,1284 5.847,1289 8.878,1290 1.331,1291 5.746,1296 -0.352,1298 9.023,1299 1.906,1300 35.331,1301 86.441,1302 217.077,1303 269.681,1304 291.191,1305 293.191,1306 293.191,1307 75.285,1308 6.858,1309 110.4,1310 110.4,1311 12,1312 12.231,1313 4.087,1314 3.585,1315 68.748,1316 122,1317 130,1318 0.268,1319 226.37,1320 403.48,1321 544.103,1322 7535,1324 21.985,1325 0.733,1326 0.584,1327 21.985,1328 17.515,1329 14.281,1330 0.461,1331 0.314,1332 9.629,1333 13.807,1334 9.255,1335 7.834,1336 14.281,1337 9.731,1338 13.188,1339 0.322,1340 0.188,1341 13.188,1342 7.719,1343 8.518,1344 0.189,1345 0.088,1346 8.518,1347 3.974,1348 7.336,1349 0.126,1350 0.048,1351 7.336,1352 2.801,1353 5.563,1354 0.082,1355 0.026,1356 5.563,1357 1.788,1358 0.419,1359 88.938,1360 0.225,1361 28.387,1362 0.739,1363 144,1364 427.486,1365 156.893,1366 424.999,1367 563.29,1368 392,1369 158,1370 401.512,1371 167.985,1372 412.848,1373 580.28,1374 384,1375 5.796} {0 CHEMBL787,1 1.456,2 13.951,3 8.259,4 68.204,5 169.725,6 7.614,7 0.511,8 4.41,9 4.513,10 4.02,11 4.068,12 5.473,13 3.997,14 4.934,15 5.084,16 4.394,17 4.473,18 6.013,19 4.369,20 5.242,21 5.424,22 4.491,23 4.661,24 6.223,25 4.514,26 5.36,27 5.594,28 4.455,29 4.673,30 6.246,31 4.498,32 5.333,33 5.544,34 4.427,35 4.648,36 6.282,37 4.483,38 5.381,39 5.641,40 4.378,41 4.672,42 6.145,43 4.484,44 5.338,45 5.568,46 4.464,47 4.689,48 6.205,49 4.528,50 5.381,51 5.604,52 4.48,53 4.718,54 6.319,55 4.573,56 0.064,57 0.95,58 16.066,59 7.841,60 15.711,61 10.021,62 0.208,63 1.62,64 32.243,65 14.093,66 47.974,67 17.874,68 0.356,69 2.167,70 47.784,71 19.059,72 67.992,73 23.654,74 0.352,75 2.475,76 61.59,77 23.255,78 57.521,79 29.026,80 0.481,81 2.324,82 52.449,83 20.805,84 88.481,85 26.146,86 0.329,87 2.488,88 58.465,89 23.13,90 61.568,91 30.441,92 0.317,93 2.38,94 54.707,95 21.869,96 55.08,97 28.31,98 0.344,99 2.5,100 58.129,101 22.716,102 65.322,103 28.982,104 42,105 65,106 0.222,107 0.549,108 0.744,109 0.858,110 0.881,111 0.885,112 3.741,113 1.034,114 -6.89,115 -6.69,116 -6.2,118 45.5,119 2,120 5,122 1,124 1,126 1,129 1,133 2,140 13,141 5,142 1,144 2,154 1,163 1,167 1,168 24,169 1,172 5,175 1,177 4,180 35,181 1,186 4,191 3,194 34,195 2,198 5,203 5,206 29,207 1,210 3,215 3,218 34,222 2,229 36,230 2,234 3,239 4,242 40,243 3,247 5,252 5,255 41,256 3,259 4,264 6,267 35,268 4,270 4174,271 27.126,272 27.126,273 27.126,274 27.126,275 27.126,276 24.109,277 18.363,278 15.765,279 27.535,280 22.221,281 22.221,282 22.221,283 22.221,284 22.221,285 17.659,286 18.252,287 7.485,288 22.959,289 4.81,290 2.661,291 1.385,292 0.637,293 0.487,294 0.461,295 4.435,297 1,301 1234,302 5.099,303 86.894,306 567.965,310 216.278,313 2.157,314 34.739,317 0.5,318 0.5,319 0.5,320 0.6,321 0.5,322 0.5,323 0.5,324 0.51,325 85.833,326 572,327 4.535,328 4.507,329 7.305,330 4.461,331 3.468,332 4.376,333 3.272,334 13.029,335 3.445,336 4.476,337 3.748,338 7.247,339 4.347,340 3.375,341 3.993,342 2.341,343 12.232,344 3.277,345 4.441,346 3.709,347 6.212,348 3.934,349 2.962,350 3.76,351 0.765,352 9.342,353 2.877,354 4.179,355 3.371,356 6.167,357 3.851,358 2.881,359 3.489,361 9.174,362 2.798,363 3.806,364 3.07,365 5.588,366 3.444,367 2.467,368 3.247,370 7.353,371 2.407,372 3.666,373 2.82,374 5.371,375 3.362,376 2.388,377 2.912,379 7.009,380 2.32,381 3.583,382 2.692,383 5.2,384 3.214,385 2.264,386 2.854,388 6.542,389 2.148,390 3.44,391 2.647,392 4.952,393 3.065,394 2.059,395 2.755,397 5.777,398 2.041,399 3.427,400 2.454,401 4.665,402 2.954,403 2.04,404 2.571,406 4.965,407 1.774,408 3.066,409 2.194,410 4.394,411 2.589,412 1.607,413 2.337,415 4.295,416 1.577,417 2.96,418 1.798,419 4.37,420 2.541,421 1.565,422 2.121,424 4.198,425 1.515,426 2.846,427 1.623,428 4.143,429 2.42,430 1.455,431 1.952,433 3.495,434 1.392,435 2.586,436 1.577,437 3.772,438 2.155,439 1.162,440 1.619,442 2.828,443 1.152,444 2.548,445 1.238,446 3.614,447 2.119,448 1.145,449 1.563,451 2.596,452 1.107,453 2.425,454 1.208,455 3.49,456 1.84,457 0.892,458 1.279,460 2.129,461 0.831,462 20.448,463 0.499,464 1.244,465 0.03,466 49,467 1.195,468 25,469 0.61,470 24,471 0.585,472 47.563,473 1.16,474 43.152,475 0.56,476 38.711,477 0.944,478 8.606,479 0.21,480 10.994,481 0.268,482 0.133,483 0.049,484 0.245,487 0.753,488 0.975,489 0.724,490 0.866,491 0.799,492 0.89,493 0.537,494 1.118,495 0.904,496 1.068,497 0.447,498 0.993,499 1.131,500 1.093,501 1.137,502 1.085,503 1.096,504 1.111,505 0.644,506 1.061,507 1.125,508 1.187,509 0.626,510 1.011,511 1.126,512 1.054,513 0.961,514 1.038,515 1.251,516 1.092,517 0.485,518 0.892,519 0.856,520 0.919,521 0.442,522 0.902,523 0.595,524 0.964,525 0.9,526 1.001,527 0.608,528 0.961,529 0.731,530 1.002,531 0.977,532 1.074,533 0.744,534 0.96,535 11,536 0.47,537 5,538 2.625,539 2.294,540 1.306,541 0.797,542 0.839,543 0.6,544 0.566,545 29152,546 75861,547 2.064,548 46.8,549 6,550 18,553 2,554 2,555 8,558 1.81,559 1.922,560 3.718,561 0.04,567 112.145,568 1.456,569 3.605,570 4.882,571 5.63,572 5.78,573 5.806,574 3.049,575 5.095,576 5.329,577 3.993,578 3274.57,579 9.442,580 59964.6,585 482.543,586 1.583,587 5.275,588 0.244,589 0.008,590 0.081,591 0.042,592 0.038,593 0.024,594 0.014,595 0.013,596 0.009,597 0.009,598 0.482,599 0.17,600 0.5,601 0.88,602 234.355,603 -0.054,604 0.072,605 0.03,606 0.092,607 -0.095,608 0.066,609 0.137,610 -0.07,611 0.012,612 -0.034,613 0.212,614 -0.009,615 -0.158,616 -0.059,617 -0.131,618 -0.051,619 -0.149,620 -0.134,621 0.056,622 -0.029,623 -0.017,624 -0.062,625 0.036,626 0.014,627 -0.113,628 -0.06,629 -0.057,630 -0.038,631 -0.151,632 -0.113,633 0.038,634 0.096,635 0.092,636 0.108,637 0.033,638 0.125,639 0.03,640 0.033,641 0.045,642 0.029,643 0.011,644 0.053,645 0.007,646 0.008,647 -0.021,648 -0.026,649 0.028,650 0.047,651 2.379,652 4.736,653 0.61,654 52.063,655 0.992,656 1.11,657 5.658,658 32.011,659 0.696,660 3.829,661 4.19,662 4.369,663 4.595,664 4.787,665 4.796,666 4.913,667 5.05,668 5.17,669 5.247,670 8.847,671 0.645,672 586.24,673 3.829,674 5.398,675 6.24,676 7.133,677 7.993,678 8.885,679 9.752,680 10.644,681 11.515,682 12.406,683 1.3,693 1,698 2,699 13,700 1,704 6,706 23,723 1,724 77,726 25,727 3,728 45,730 81,731 35,733 21,734 7,735 11,736 2,739 5,740 6,741 1,745 2,746 1,747 1,748 2,751 6,753 24,754 11,755 1,756 2,761 1,763 2,765 1,772 36,773 4,774 2,775 6,776 2,779 1,784 0.8,785 3,788 1,795 1,799 1,802 4,806 1,818 1,822 2,830 2,832 4,833 1,834 1,836 2,837 1,840 41,845 2,846 6,849 1,850 1,852 2,861 1,862 3.9,863 1,864 1,865 1,869 21.333,870 14.16,871 8.75,872 4.659,874 4.957,875 1.597,876 0.938,877 9.012,878 13.264,879 4.086,880 4.687,881 5.203,882 5.758,883 6.313,884 6.53,885 6.914,886 7.32,887 7.771,888 7.996,889 0.889,890 62,891 15.234,893 6.583,894 7.69,895 29.55,897 25.216,899 2.19,900 89.778,904 400.217,905 230.213,906 16.786,907 39.149,908 110.512,910 32.22,911 197.993,912 549.878,913 16.786,914 17.65,915 13.572,916 184.827,917 85.524,918 23.717,920 432.437,921 39.149,922 400.217,923 214.779,924 110.512,925 71.368,927 306.049,928 161.997,929 42.683,931 36.124,932 142.917,933 74.887,934 32.22,935 400.217,936 127.297,937 269.361,940 400.217,941 70.419,942 159.794,944 166.446,945 400.217,946 127.297,947 269.361,949 0.592,950 0.318,951 0.168,952 0.091,953 31,954 14,955 0.148,956 12,957 1,958 1.08,959 5.037,960 407.414,961 0.08,962 25,963 215.66,964 1,968 29.541,969 12.507,970 8.082,971 1.919,972 127.297,973 26.469,974 4.743,978 5.949,980 85.367,981 796.876,982 58.5,987 11.482,989 4.105,991 -0.713,994 76.389,995 85.464,996 0.232,997 0.575,998 0.779,999 0.898,1000 0.922,1001 0.926,1002 5.351,1003 2.059,1004 6.275,1005 6.542,1006 4.875,1007 5.375,1008 3.47,1009 7.13,1010 4.815,1011 6.588,1012 2.04,1013 7.871,1014 5.777,1015 4.745,1016 5.27,1017 2.243,1018 8.444,1019 4.65,1020 7.922,1021 1.607,1022 9.583,1023 4.965,1024 6.6,1025 7.571,1026 5.59,1027 11.415,1028 6.499,1029 9.288,1030 1.565,1031 11.368,1032 4.295,1033 7.245,1034 8.203,1035 4.112,1036 13.54,1037 7.12,1038 10.683,1039 1.455,1040 13.202,1041 4.198,1042 8.661,1043 10.046,1044 7.878,1045 16.166,1046 8.528,1047 12.098,1048 1.162,1049 15.07,1050 3.495,1051 9.633,1052 11.043,1053 5.889,1054 18.566,1055 9.482,1056 13.528,1057 1.145,1058 16.964,1059 2.828,1060 10.903,1061 12.682,1062 10.213,1063 21.117,1064 10.743,1065 3.468,1066 0.892,1067 18.877,1068 2.596,1069 12.016,1070 13.88,1071 7.625,1072 23.61,1073 11.841,1074 3.375,1075 13.029,1076 20.804,1077 2.129,1078 13.242,1079 15.418,1080 12.566,1081 26.15,1082 13.056,1083 2.962,1084 12.232,1085 22.742,1086 4.376,1087 14.414,1088 16.73,1089 9.342,1090 28.675,1091 14.216,1092 2.881,1093 9.342,1094 24.689,1095 3.993,1096 15.63,1097 18.219,1098 14.928,1099 31.216,1100 15.421,1101 2.467,1102 9.174,1103 26.643,1104 3.76,1105 16.829,1106 19.594,1107 11.051,1108 33.755,1109 16.609,1110 2.388,1111 7.353,1112 28.603,1113 3.489,1114 18.045,1115 21.062,1116 17.295,1117 36.3,1118 17.814,1119 2.264,1120 7.009,1121 30.567,1122 3.247,1123 19.258,1124 22.473,1125 12.755,1126 38.845,1127 19.016,1128 27492,1129 44543,1130 29.701,1131 53.58,1132 68.537,1133 71.75,1134 68.995,1135 67.623,1136 67.432,1137 86.563,1138 12.756,1139 199.435,1140 65.087,1141 5.514,1142 6.507,1143 6.987,1144 5.597,1145 5.468,1146 7.376,1147 6.545,1148 20.515,1149 5.445,1150 22.382,1151 1.523,1152 1.594,1153 1.533,1154 1.503,1155 1.498,1156 1.924,1157 0.283,1158 4.432,1159 1.446,1160 4.091,1161 4.117,1162 4.113,1163 4.035,1164 7.474,1165 4.03,1166 4.005,1167 4.033,1168 4.047,1169 3.955,1170 6.449,1171 3.941,1172 3.948,1173 3.981,1174 3.892,1175 3.886,1176 6.351,1177 3.874,1178 3.908,1179 3.934,1180 3.843,1181 3.853,1182 5.057,1183 3.844,1184 3.579,1185 3.621,1186 3.684,1187 3.518,1188 4.779,1189 3.496,1190 3.524,1191 3.572,1192 3.584,1193 3.407,1194 4.71,1195 3.384,1196 3.451,1197 3.499,1198 3.374,1199 3.356,1200 4.671,1201 3.335,1202 3.372,1203 3.377,1204 3.294,1205 3.13,1206 4.314,1207 3.132,1208 0.101,1209 0.1,1210 0.162,1211 0.099,1212 0.077,1213 4.535,1214 0.097,1215 4.507,1216 0.073,1217 7.305,1218 0.29,1219 4.461,1220 0.077,1221 3.468,1222 4.376,1223 3.272,1224 13.029,1225 3.445,1226 2.041,1227 2.02,1228 2.111,1229 2.117,1230 1.369,1231 2.119,1232 1.978,1233 1.954,1234 2.089,1235 2.054,1236 1.227,1237 2.07,1238 1.923,1239 1.901,1240 2.024,1241 1.988,1242 1.211,1243 2.005,1244 1.637,1245 1.608,1246 1.811,1247 1.781,1248 1.154,1249 1.794,1250 1.559,1251 1.524,1252 1.776,1253 1.731,1254 1.013,1255 1.752,1256 1.521,1257 1.47,1258 1.72,1259 1.658,1260 0.853,1261 1.684,1262 1.455,1263 1.409,1264 1.646,1265 1.588,1266 0.825,1267 1.616,1268 1.218,1269 1.177,1270 1.513,1271 1.376,1272 0.738,1273 1.429,1274 4.511,1275 1.946,1276 5.861,1277 3.932,1278 7.394,1279 5.861,1280 9.013,1281 7.753,1282 10.675,1284 3.658,1285 6.167,1289 20.175,1290 4.747,1293 1.87,1294 0.199,1296 -0.993,1300 49.663,1301 112.145,1302 277.613,1303 375.908,1304 433.523,1305 445.033,1306 447.033,1307 93.183,1308 8.306,1309 70.42,1310 95.72,1311 27,1312 12.938,1313 4.7,1314 3.858,1315 66.055,1316 208,1317 227,1318 0.142,1319 309.726,1320 545.43,1321 747.492,1322 55040,1323 1.3,1324 29.037,1325 0.708,1326 0.612,1327 29.891,1328 25.089,1329 19.6,1330 0.436,1331 0.345,1332 14.151,1333 18.557,1334 13.546,1335 11.198,1336 20.343,1337 15.515,1338 18.979,1339 0.292,1340 0.205,1341 19.918,1342 13.329,1343 13.981,1344 0.179,1345 0.122,1346 15.034,1347 9.505,1348 11.633,1349 0.119,1350 0.071,1351 12.646,1352 6.917,1353 9.289,1354 0.078,1355 0.042,1356 10.338,1357 4.965,1358 0.226,1359 127.379,1360 0.183,1361 36.813,1362 0.384,1363 220,1364 534.744,1365 267.052,1366 582.633,1367 780.84,1368 542,1369 256,1370 529.091,1371 294.288,1372 566.504,1373 822.03,1374 532,1375 5.817} {0 CHEMBL808,1 1.685,2 9.458,3 4.981,4 24.811,5 98.263,6 9.787,7 0.654,8 3.77,9 3.859,10 3.573,11 3.416,12 4.898,13 3.382,14 4.279,15 4.41,16 3.958,17 3.799,18 5.395,19 3.743,20 4.498,21 4.656,22 3.987,23 3.908,24 5.546,25 3.793,26 4.553,27 4.745,28 4.026,29 3.821,30 5.596,31 3.705,32 4.492,33 4.702,34 3.817,35 3.76,36 5.447,37 3.67,38 4.463,39 4.633,40 3.973,41 3.894,42 5.545,43 3.786,44 4.537,45 4.746,46 3.971,47 3.924,48 5.582,49 3.793,50 4.404,51 4.607,52 3.827,53 3.799,54 5.47,55 3.644,56 0.05,57 0.496,58 4.28,59 3.09,60 6.134,61 3.789,62 0.234,63 0.811,64 10.452,65 5.381,66 16.383,67 6.091,68 0.339,69 0.908,70 21.759,71 7.992,72 29.399,73 9.479,74 0.499,75 0.945,76 31.404,77 9.077,78 45.577,79 10.55,80 0.479,81 0.943,82 24.659,83 8.101,84 36.229,85 9.469,86 0.408,87 0.917,88 23.008,89 7.77,90 33.313,91 9.489,92 0.354,93 1.009,94 25.301,95 8.511,96 33.07,97 10.919,98 0.291,99 0.841,100 25.076,101 7.831,102 30.02,103 9.865,104 10,105 35,106 0.299,107 0.593,108 0.757,109 0.837,110 0.872,111 0.884,112 3.228,113 0.983,114 -5.64,115 -5.51,116 -5.14,118 46.2,124 2,126 1,140 7,141 2,142 3,143 1,149 1,156 1,168 6,171 1,172 2,180 13,185 1,186 4,194 7,198 6,206 5,209 1,210 5,218 3,222 5,229 7,234 7,242 8,247 2,255 8,259 4,267 3,270 964,271 16.154,272 16.154,273 16.154,274 16.154,275 16.154,276 13.952,277 15.958,278 9.676,279 16.827,280 12.837,281 12.837,282 12.837,283 12.837,284 12.837,285 9.699,286 15.622,287 4.643,288 14.073,289 3.6,290 1.948,291 1.023,292 0.571,293 0.378,294 0.308,295 3.908,297 3,299 1,300 1,301 483,302 3,305 75.438,306 175.671,313 1.253,314 19.293,317 0.75,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.84,325 51,326 227,327 4.322,328 3.454,329 6.469,330 3.968,331 3.027,332 3.93,333 1.307,334 10.031,335 2.831,336 4.012,337 3.005,338 5.474,339 3.579,340 2.619,341 3.614,342 0.447,343 7.281,344 2.515,345 3.928,346 2.919,347 5.404,348 3.46,349 2.55,350 3.483,352 7.134,353 2.307,354 3.575,355 2.676,356 5.136,357 3.151,358 2.263,359 2.879,361 6.272,362 1.951,363 3.415,364 2.622,365 4.89,366 2.98,367 2.088,368 2.702,370 5.691,371 1.773,372 3.037,373 2.371,374 4.694,375 2.618,376 1.77,377 2.166,379 4.847,380 1.419,381 2.701,382 1.609,383 3.965,384 2.238,385 1.295,386 1.776,388 3.254,389 1.186,390 2.5,391 1.331,392 3.433,393 2.04,394 1.136,395 1.5,397 2.544,398 1.016,399 2.488,400 1.006,401 3.414,402 2,403 1,404 1.485,406 2.275,407 1,408 2.118,409 1,410 3.112,411 1.554,412 0.618,413 0.927,415 1.401,416 0.577,417 1.764,418 0.618,419 3,420 1.489,421 0.597,422 0.676,424 1.372,425 0.51,426 1.224,427 0.535,428 2.649,429 0.802,430 -0.048,431 -0.058,433 -0.115,434 -0.034,435 1.073,436 0.304,437 2.383,438 0.696,439 -0.163,440 -0.191,442 -0.372,443 -0.119,444 0.796,445 0.256,446 2.358,447 0.273,448 -0.514,449 -0.621,451 -1.242,452 -0.293,453 0.532,454 -0.219,455 2,456 0.179,457 -0.665,458 -0.769,460 -1.731,461 -0.521,462 12.276,463 0.512,464 0.558,465 0.023,466 31.5,467 1.313,468 16,469 0.667,470 15.5,471 0.646,472 19.21,473 0.8,474 24.924,475 0.639,476 21.001,477 0.875,478 6.364,479 0.265,480 5.25,481 0.219,482 0.175,484 0.277,487 0.68,488 1.288,489 0.494,490 0.836,491 0.617,492 0.808,493 1.103,494 0.958,495 0.654,496 0.73,497 0.798,498 0.819,499 1.122,500 1.095,501 1.033,502 1.122,503 1.059,504 1.148,505 1.123,506 1.078,507 0.886,508 1.085,509 0.956,510 1.054,511 1.153,512 0.82,513 0.715,514 0.757,515 0.915,516 0.8,517 0.728,518 1.077,519 0.933,520 1.081,521 0.803,522 1.063,523 0.64,524 0.998,525 0.847,526 0.949,527 0.783,528 0.982,529 0.876,530 1.013,531 1.111,532 1.038,533 1.049,534 1.066,535 5,536 0.071,537 2.444,538 1.285,539 1.031,540 0.66,541 0.482,542 0.361,543 0.236,544 0.223,545 6227,546 22744,547 2.064,548 38.5,550 12,551 1,552 2,558 1.674,559 1.946,560 3.183,561 -0.74,567 65.714,568 1.685,569 3.337,570 4.262,571 4.715,572 4.907,573 4.978,574 2.584,575 4.054,576 4.556,577 3.345,578 923.174,579 7.891,580 11095,582 1,585 206.131,586 1.347,587 4.522,588 0.192,589 0.007,590 0.07,591 0.04,592 0.036,593 0.022,594 0.015,595 0.011,596 0.009,597 0.012,598 0.414,599 0.5,600 0.88,601 0.566,602 113.83,603 -0.026,604 -0.207,605 0.009,606 -0.07,607 -0.051,608 -0.024,609 -0.159,610 0.132,611 -0.021,612 0.097,613 -0.054,614 0.004,615 -0.105,616 -0.139,617 -0.143,618 -0.178,619 -0.125,620 -0.211,621 0.037,622 -0.148,623 0.052,624 -0.088,625 0.071,626 -0.058,627 -0.06,628 0.182,629 0.044,630 0.199,631 -0.049,632 0.178,633 0.093,634 -0.091,635 -0.073,636 -0.148,637 0.033,638 -0.112,639 0.046,640 0.014,641 0.014,642 0.004,643 0.02,644 0.016,645 -0.096,646 -0.05,647 -0.088,648 -0.039,649 -0.114,650 -0.045,651 1.556,652 2.629,653 0.708,654 19.014,655 1.015,656 1.112,657 4.414,658 19.48,659 0.747,660 3.296,661 3.584,662 3.784,663 3.989,664 4.127,665 4.143,666 4.159,667 4.263,668 4.317,669 4.304,670 5.765,671 0.704,672 381.7,673 3.296,674 4.812,675 5.631,676 6.482,677 7.317,678 8.17,679 9.012,680 9.868,681 10.714,682 11.572,683 5.1,691 1,693 1,699 10,700 1,704 5,705 1,706 17,723 3,724 39,726 17,727 2,728 26,730 41,731 18,733 15,734 5,735 7,739 3,740 3,741 3,751 1,753 15,754 3,772 15,773 2,775 6,776 3,778 1,779 2,784 1,785 1,801 1,802 2,831 1,832 3,837 3,840 24,846 2,848 1,850 1,861 3,862 2.6,866 1,869 12.333,870 6.912,871 5.306,872 2.161,874 2.136,875 1.323,876 0.981,877 5.924,878 8.744,879 3.57,880 4.147,881 4.643,882 5.129,883 5.484,884 5.491,885 5.595,886 5.946,887 6.309,888 6.624,889 1,890 32,891 8.803,893 3.654,894 7.729,895 16.742,897 13.431,899 2.229,900 53.5,904 176.567,905 116.618,906 18.685,907 117.446,908 11,911 116.618,912 305.012,913 18.685,915 6.698,916 75.381,917 59.946,918 27.819,919 11.771,920 141.253,921 117.446,922 176.567,923 135.303,924 11,925 117.446,927 176.567,929 11,931 26.263,932 92.254,933 134.231,935 176.567,936 29.685,937 234.064,940 176.567,941 23.571,942 94.946,944 145.231,945 176.567,946 29.685,947 234.064,949 0.576,950 0.323,951 0.168,952 0.087,953 16,954 7,955 0.146,956 6,958 1,959 3.655,960 187.7,962 17,963 106.039,968 17.459,969 8.144,970 4.824,972 27.785,973 18.403,974 4.072,978 3.824,979 1.956,981 440.315,982 34.5,994 39.571,995 43.36,996 0.319,997 0.631,998 0.806,999 0.892,1000 0.928,1001 0.942,1002 4.773,1003 1.136,1004 5.595,1005 3.254,1006 4.263,1007 4.832,1008 1.572,1009 6.333,1010 4.084,1011 5.962,1012 1,1013 7.109,1014 2.544,1015 3.761,1016 4.477,1018 7.081,1019 3.38,1020 7.242,1021 0.618,1022 8.718,1023 2.275,1024 5.79,1025 6.957,1026 1.935,1027 10.134,1028 5.479,1029 8.554,1030 0.597,1031 10.383,1032 1.401,1033 6.089,1034 7.397,1036 11.727,1037 5.61,1038 9.894,1039 -0.048,1040 12.086,1041 1.372,1042 7.569,1043 9.318,1044 2.398,1045 14.295,1046 7.139,1047 11.252,1048 -0.163,1049 13.816,1050 -0.115,1051 8.249,1052 10.141,1054 16.271,1055 7.683,1056 12.625,1057 -0.514,1058 15.567,1059 -0.372,1060 9.498,1061 11.804,1062 2.894,1063 18.671,1064 8.95,1065 3.027,1066 -0.665,1067 17.336,1068 -1.242,1069 10.373,1070 12.837,1072 20.827,1073 9.713,1074 2.619,1075 10.031,1076 19.119,1077 -1.731,1078 11.523,1079 14.364,1080 3.407,1081 23.166,1082 10.853,1083 2.55,1084 7.281,1085 20.915,1086 3.93,1087 12.5,1088 15.519,1090 25.404,1091 11.736,1092 2.263,1093 7.134,1094 22.721,1095 3.614,1096 13.608,1097 16.97,1098 3.929,1099 27.722,1100 12.813,1101 2.088,1102 6.272,1103 24.537,1104 3.483,1105 14.64,1106 18.2,1108 29.996,1109 13.762,1110 1.77,1111 5.691,1112 26.36,1113 2.879,1114 15.733,1115 19.607,1116 4.457,1117 32.306,1118 14.811,1119 1.295,1120 4.847,1121 28.191,1122 2.702,1123 16.794,1124 20.883,1126 34.597,1127 15.795,1128 6063,1129 11696,1130 17.394,1131 29.131,1132 38.527,1133 38.758,1134 38.751,1135 38.44,1136 37.926,1137 50.277,1138 3.509,1139 104.204,1140 34.168,1141 5.22,1142 5.454,1143 6.083,1144 5.048,1145 5.027,1146 6.93,1147 2.615,1148 16.813,1149 4.831,1150 10.839,1151 1.482,1152 1.491,1153 1.49,1154 1.478,1155 1.459,1156 1.934,1157 0.135,1158 4.008,1159 1.314,1160 4.002,1161 4.041,1162 4.106,1163 3.917,1164 5.033,1165 3.913,1166 3.894,1167 3.926,1168 3.991,1169 3.845,1170 4.951,1171 3.834,1172 3.85,1173 3.883,1174 3.851,1175 3.677,1176 4.935,1177 3.703,1178 3.388,1179 3.418,1180 3.6,1181 3.216,1182 4.641,1183 3.222,1184 3.1,1185 3.154,1186 3.445,1187 2.997,1188 4.538,1189 2.977,1190 2.88,1191 2.925,1192 3.242,1193 2.801,1194 4.233,1195 2.772,1196 2.854,1197 2.922,1198 2.934,1199 2.735,1200 4.026,1201 2.715,1202 2.768,1203 2.812,1204 2.694,1205 2.652,1206 3.674,1207 2.629,1208 0.166,1209 0.133,1210 0.249,1211 0.153,1212 0.116,1213 4.322,1214 0.151,1215 3.454,1216 0.05,1217 6.469,1218 0.386,1219 3.968,1220 0.109,1221 3.027,1222 3.93,1223 1.307,1224 10.031,1225 2.831,1226 1.924,1227 1.907,1228 2.013,1229 2.02,1230 1.232,1231 2.024,1232 1.883,1233 1.863,1234 1.964,1235 1.949,1236 1.123,1237 1.966,1238 1.587,1239 1.529,1240 1.742,1241 1.793,1242 0.921,1243 1.787,1244 1.31,1245 1.252,1246 1.493,1247 1.527,1248 0.598,1249 1.52,1250 1.206,1251 1.158,1252 1.411,1253 1.454,1254 0.49,1255 1.445,1256 1.016,1257 0.97,1258 1.233,1259 1.178,1260 0.303,1261 1.213,1262 0.886,1263 0.824,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.868,1269 0.821,1270 1.099,1271 1.016,1272 0.169,1273 1.06,1274 3.97,1276 5.263,1277 2.398,1278 6.732,1279 4.443,1280 8.284,1281 6.26,1282 9.88,1285 18.279,1290 1.06,1292 6.129,1294 -0.223,1300 27.455,1301 65.714,1302 130.141,1303 166.215,1304 183.866,1305 191.376,1306 194.131,1307 36.793,1308 6.608,1309 27.05,1310 27.05,1311 17,1312 12.126,1313 4.17,1314 3.248,1315 38.996,1316 77,1317 94,1318 0.23,1319 180.417,1320 305.48,1321 431.977,1322 5383,1323 7.7,1324 16.941,1325 0.706,1326 0.624,1327 18.441,1328 14.969,1329 11.614,1330 0.447,1331 0.328,1332 7.393,1333 10.405,1334 7.131,1335 5.86,1336 12.48,1337 8.517,1338 10.409,1339 0.297,1340 0.189,1341 11.596,1342 6.631,1343 8.295,1344 0.193,1345 0.103,1346 9.178,1347 4.424,1348 6.638,1349 0.125,1350 0.057,1351 7.553,1352 3.023,1353 4.863,1354 0.08,1355 0.032,1356 5.477,1357 1.952,1358 0.355,1359 81.232,1360 0.24,1361 23.39,1362 0.649,1363 122,1364 373.636,1365 175.626,1366 451.951,1367 580.85,1368 420,1369 139,1370 346.063,1371 178.46,1372 382.782,1373 553.54,1374 358,1375 7.538} {0 CHEMBL82479,1 1.432,2 7.111,3 2.531,4 6.408,5 70.996,6 7.312,7 0.316,8 3.558,9 3.666,10 3.103,11 3.173,12 4.716,13 3.131,14 4.07,15 4.249,16 3.451,17 3.533,18 5.156,19 3.48,20 4.245,21 4.382,22 3.612,23 3.682,24 5.48,25 3.632,26 4.481,27 4.665,28 3.451,29 3.665,30 5.724,31 3.576,32 4.417,33 4.643,34 3.267,35 3.523,36 5.693,37 3.407,38 4.173,39 4.416,40 3.128,41 3.345,42 5.296,43 3.225,44 4.093,45 4.377,46 2.839,47 3.123,48 5.176,49 2.978,50 3.641,51 3.915,52 2.161,53 2.686,54 4.618,55 2.491,56 0.003,57 0.423,58 6.376,59 3.203,60 4.8,61 4.109,62 0.055,63 0.684,64 12.02,65 5.255,66 14.01,67 6.991,68 0.024,69 0.801,70 13.787,71 6.262,72 15.212,73 7.955,74 0.262,75 0.935,76 19.89,77 7.385,78 65.445,79 9.162,80 0.376,81 0.853,82 19.703,83 7.089,84 91.854,85 9.192,86 0.15,87 0.712,88 14.829,89 5.701,90 33.657,91 7.913,92 0.207,93 0.646,94 14.586,95 4.981,96 40.427,97 7.102,98 0.096,99 0.414,100 8.975,101 3.17,102 21.155,103 4.501,104 26,105 27,106 0.267,107 0.564,108 0.67,109 0.719,110 0.758,111 0.816,112 2.961,113 0.928,114 -3.23,115 -3.22,116 -3.09,118 45.5,119 3,120 1,134 4,140 2,141 1,143 2,152 2,168 9,172 6,180 9,186 10,194 11,198 6,206 10,209 1,210 3,218 7,221 1,222 4,229 5,233 1,234 3,242 3,247 1,255 1,270 360,271 11.673,272 11.673,273 11.673,274 11.673,275 11.673,276 10.089,277 8.845,278 6.714,279 11.69,280 9.263,281 9.263,282 9.263,283 9.263,284 9.263,285 6.909,286 10.217,287 3.142,288 9.243,289 3.612,290 2.025,291 1.456,292 1.19,293 0.986,294 0.675,295 3.606,298 1,299 1,300 1,301 262,302 2.121,306 116.648,313 0.914,314 22.456,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 38.5,326 128,327 4.636,328 3.836,329 6.875,330 4.279,331 3.261,332 4.163,333 0.68,334 11.201,335 3.318,336 3.954,337 3.398,338 5.924,339 3.57,340 2.572,341 3.463,343 7.999,344 2.57,345 3.74,346 2.858,347 5.791,348 3.344,349 2.303,350 3.108,352 7.292,353 2.389,354 3.613,355 2.466,356 5.29,357 3.235,358 2.236,359 2.794,361 6.643,362 2.23,363 2.896,364 2.113,365 3.863,366 2.427,367 1.46,368 2.055,370 3.136,371 1.409,372 2.5,373 1.595,374 3.618,375 1.956,376 1,377 1.5,379 2.136,380 0.954,381 2.385,382 1.192,383 3.526,384 1.735,385 0.682,386 0.985,388 1.787,389 0.703,390 1.733,391 1.113,392 3.247,393 1.657,394 0.618,395 0.688,397 1.464,398 0.648,399 1.443,400 1,401 2.756,402 1.16,403 0.109,404 0.13,406 0.236,407 0.113,408 0.904,409 -0.025,410 2,411 0.538,412 -0.468,413 -0.597,415 -1.08,416 -0.467,417 0.5,418 -0.51,419 1.912,420 -0.025,421 -1,422 -1.445,424 -2.347,425 -0.973,426 0.276,427 -0.632,428 1.555,429 -0.127,430 -1.127,431 -1.5,433 -2.807,434 -1.118,436 -0.927,437 1.47,438 -0.21,439 -1.262,440 -1.566,442 -3.114,443 -1.293,445 -1,446 1.382,447 -0.262,448 -1.303,449 -1.61,451 -3.292,452 -1.394,454 -1.289,455 1.287,456 -0.524,457 -1.541,458 -1.778,460 -4.771,461 -1.559,462 8.567,463 0.476,464 0.566,465 0.031,466 22.5,467 1.25,468 12,469 0.667,470 10.5,471 0.583,472 14.02,473 0.779,474 19.033,475 0.577,476 15.119,477 0.84,478 4.569,479 0.254,480 3.951,481 0.22,482 0.253,484 0.409,487 0.512,488 1.131,489 0.778,490 1.046,491 0.524,492 0.967,493 0.607,494 0.864,495 0.666,496 0.821,497 0.574,498 0.757,499 0.87,500 1.275,501 0.951,502 1.273,503 0.891,504 1.149,505 1.744,506 1.092,507 1.351,508 1.148,509 1.796,510 1.188,511 1.441,512 0.906,513 1.147,514 0.92,515 1.501,516 0.989,517 0.696,518 1.076,519 0.882,520 1.029,521 0.711,522 0.995,523 0.875,524 0.844,525 0.895,526 0.818,527 0.834,528 0.848,529 0.923,530 1.085,531 1.228,532 1.117,533 0.818,534 1.191,535 3.5,537 2.667,538 1.688,539 1.418,540 0.514,541 0.367,542 0.212,543 0.078,544 0.016,545 2367,546 6732,547 1.931,548 45.5,549 11,550 2,552 2,558 1.592,559 1.742,560 2.831,561 -0.818,563 1,564 1,565 1,567 47.258,568 1.432,569 3.02,570 3.589,571 3.854,572 4.059,573 4.37,574 2.177,575 3.128,576 4.144,577 2.91,578 445.212,579 7.057,580 4128.25,581 1,582 1,584 1,585 166.465,586 1.572,587 4.056,588 0.184,590 0.099,591 0.056,592 0.062,593 0.027,594 0.022,595 0.018,596 0.016,597 0.016,598 0.498,599 1,600 1,601 0.745,602 74.818,603 0.001,604 -0.052,605 0.027,606 -0.005,607 -0.035,608 0.01,609 0.029,610 0.17,611 0.223,612 0.188,613 0.023,614 0.231,615 -0.002,616 -0.256,617 -0.073,618 -0.267,619 0.002,620 -0.192,621 -0.279,622 -0.133,623 -0.352,624 -0.194,625 -0.255,626 -0.269,627 -0.056,628 0.006,629 -0.115,630 0.039,631 -0.029,632 -0.037,633 0.122,634 -0.123,635 0.092,636 -0.063,637 0.084,638 -0.008,639 0.069,640 0.111,641 0.137,642 0.113,643 0.046,644 0.131,645 -0.11,646 -0.12,647 -0.234,648 -0.186,649 -0.085,650 -0.218,651 1.689,652 5.208,653 0.667,654 10.222,655 0.998,656 1.116,657 1.998,658 3.993,659 0.674,660 2.996,661 3.332,662 3.611,663 3.761,664 3.932,665 3.85,666 3.714,667 3.664,668 3.611,669 3.367,670 4.309,671 0.641,672 241.31,673 2.996,674 4.533,675 5.389,676 6.263,677 7.138,678 8.019,679 8.9,680 9.785,681 10.67,682 11.557,683 3,693 1,699 4,700 1,704 1,706 6,724 33,726 10,728 19,730 34,731 15,733 5,736 6,739 2,740 2,745 3,751 1,753 11,754 4,756 4,761 2,765 6,769 1,772 15,773 3,775 3,779 1,784 1,785 2,795 1,802 2,814 2,823 4,832 2,836 3,840 18,846 1,862 6.1,865 2,869 10.333,870 7.117,871 4,872 1.981,874 1.88,875 1.312,876 0.95,877 3.247,878 7.913,879 3.296,880 3.882,881 4.428,882 4.825,883 5.252,884 5.273,885 5.367,886 5.617,887 5.883,888 5.936,889 0.8,890 30,891 6.681,893 2.814,894 7.954,895 12.522,897 10.006,899 2.454,900 44.167,901 0.001,904 176.567,905 92.252,906 16.786,908 50.29,911 92.252,912 226.856,913 16.786,914 26.476,915 2.535,916 18.952,917 100.885,918 34.023,920 153.024,922 176.567,923 109.038,924 50.29,927 176.567,928 50.29,931 47.105,932 45.147,933 16.786,935 176.567,936 67.075,937 92.252,940 176.567,941 28.729,942 63.523,944 67.075,945 176.567,946 67.075,947 92.252,949 0.593,950 0.367,951 0.178,952 0.092,953 13,954 7,955 0.059,956 2,958 1,959 2.879,960 127.234,962 12,963 73.059,968 12.444,969 4.696,970 2.2,972 67.075,973 7.145,974 4.022,978 0.945,981 335.894,982 26,987 24.206,991 2.236,994 32.942,995 36.824,996 0.284,997 0.599,998 0.711,999 0.764,1000 0.805,1001 0.866,1002 4.538,1003 0.618,1004 5.407,1005 1.787,1006 4.007,1007 4.564,1008 0.655,1009 6.256,1010 4.022,1011 5.778,1012 0.109,1013 7.013,1014 1.464,1015 3.761,1016 4.46,1018 7.252,1019 3.816,1020 7.115,1021 -0.468,1022 8.723,1023 0.236,1024 5.645,1025 6.749,1026 0.356,1027 10.392,1028 5.686,1029 8.488,1030 -1,1031 10.49,1032 -1.08,1033 6.196,1034 7.416,1036 12.155,1037 6.283,1038 9.892,1039 -1.127,1040 12.291,1041 -2.347,1042 7.6,1043 9.207,1044 0.18,1045 14.862,1046 7.677,1047 11.317,1048 -1.262,1049 14.115,1050 -2.807,1051 8.494,1052 10.228,1054 16.958,1055 8.611,1056 12.76,1057 -1.303,1058 15.956,1059 -3.114,1060 9.737,1061 11.817,1062 0.087,1063 19.509,1064 9.854,1065 3.261,1066 -1.541,1067 17.81,1068 -3.292,1069 10.786,1070 13.021,1072 21.767,1073 10.935,1074 2.572,1075 11.201,1076 19.674,1077 -4.771,1078 11.976,1079 14.518,1080 0.041,1081 24.249,1082 12.134,1083 2.303,1084 7.999,1085 21.547,1086 4.163,1087 13.096,1088 15.822,1090 26.586,1091 13.279,1092 2.236,1093 7.292,1094 23.427,1095 3.463,1096 14.272,1097 17.277,1098 0.019,1099 29.036,1100 14.469,1101 1.46,1102 6.643,1103 25.314,1104 3.108,1105 15.424,1106 18.636,1108 31.413,1109 15.642,1110 1,1111 3.136,1112 27.206,1113 2.794,1114 16.599,1115 20.071,1116 0.009,1117 33.846,1118 16.833,1119 0.682,1120 2.136,1121 29.103,1122 2.055,1123 17.765,1124 21.459,1126 36.242,1127 18.019,1128 2469,1129 4224,1130 11.849,1131 22.245,1132 29.17,1133 31.373,1134 30.794,1135 28.54,1136 28.48,1137 37.773,1138 1.36,1139 83.788,1140 28.67,1141 5.499,1142 5.836,1143 6.677,1144 5.315,1145 5.261,1146 7.163,1147 1.36,1148 19.201,1149 5.318,1150 10.601,1151 1.535,1152 1.651,1153 1.621,1154 1.502,1155 1.499,1156 1.988,1157 0.072,1158 4.41,1159 1.509,1160 4.001,1161 4.019,1162 3.958,1163 3.922,1164 7.436,1165 3.928,1166 3.822,1167 3.856,1168 3.763,1169 3.724,1170 7.418,1171 3.728,1172 3.41,1173 3.474,1174 3.271,1175 3.303,1176 4.896,1177 3.288,1178 3.204,1179 3.256,1180 3.111,1181 3.012,1182 4.376,1183 3.017,1184 3.042,1185 3.144,1186 2.828,1187 2.861,1188 4.091,1189 2.838,1190 2.861,1191 2.918,1192 2.643,1193 2.635,1194 3.832,1195 2.628,1196 2.796,1197 2.843,1198 2.615,1199 2.521,1200 3.715,1201 2.534,1202 2.753,1203 2.815,1204 2.572,1205 2.473,1206 3.675,1207 2.495,1208 0.244,1209 0.202,1210 0.362,1211 0.225,1212 0.172,1213 4.636,1214 0.219,1215 3.836,1216 0.036,1217 6.875,1218 0.59,1219 4.279,1220 0.175,1221 3.261,1222 4.163,1223 0.68,1224 11.201,1225 3.318,1226 1.954,1227 1.938,1228 2.054,1229 2.053,1230 1.246,1231 2.053,1232 1.799,1233 1.767,1234 1.926,1235 1.924,1236 1.022,1237 1.925,1238 1.433,1239 1.376,1240 1.702,1241 1.598,1242 0.803,1243 1.638,1244 1.179,1245 1.116,1246 1.541,1247 1.419,1248 0.603,1249 1.458,1250 1.083,1251 0.988,1252 1.443,1253 1.323,1254 0.563,1255 1.371,1256 0.826,1257 0.76,1258 1.123,1259 1.097,1260 0.181,1261 1.106,1262 0.716,1263 0.64,1264 1.013,1265 1.002,1266 0.026,1267 1,1268 0.643,1269 0.615,1270 0.87,1271 0.975,1273 0.911,1274 3.664,1276 4.99,1278 6.532,1280 8.172,1282 9.863,1284 5.146,1290 0.467,1300 21.139,1301 47.258,1302 99.656,1303 118.426,1304 127.181,1305 133.936,1306 144.2,1307 39.268,1308 6.033,1309 47.03,1310 47.03,1311 12,1312 12.089,1313 3.459,1314 3,1315 30.812,1316 45,1317 46,1318 0.345,1319 134.164,1320 242.54,1321 319.12,1322 2479,1324 13.284,1325 0.738,1326 0.599,1327 13.284,1328 10.78,1329 8.52,1330 0.448,1331 0.309,1332 5.831,1333 8.318,1334 5.519,1335 4.651,1336 8.52,1337 5.876,1338 7.699,1339 0.285,1340 0.169,1341 7.699,1342 4.55,1343 6.998,1344 0.194,1345 0.095,1346 6.998,1347 3.415,1348 4.932,1349 0.117,1350 0.049,1351 4.932,1352 2.075,1353 3.666,1354 0.073,1355 0.027,1356 3.666,1357 1.338,1358 0.512,1359 52.773,1360 0.291,1361 17.68,1362 1.03,1363 92,1364 279.116,1365 97.595,1366 272.159,1367 361.69,1368 252,1369 109,1370 253.385,1371 115.15,1372 261.958,1373 378.63,1374 244,1375 6.398} {0 CHEMBL8273,1 1.695,2 11.696,3 2.493,4 6.217,5 85.178,6 8.385,7 0.5,8 3.787,9 3.863,10 3.607,11 3.358,12 4.948,13 3.323,14 4.293,15 4.409,16 3.836,17 3.686,18 5.779,19 3.634,20 4.535,21 4.699,22 3.818,23 3.783,24 5.808,25 3.687,26 4.525,27 4.715,28 3.641,29 3.689,30 5.728,31 3.582,32 4.457,33 4.672,34 3.553,35 3.58,36 5.678,37 3.484,38 4.336,39 4.54,40 3.471,41 3.479,42 5.575,43 3.383,44 4.212,45 4.403,46 3.316,47 3.372,48 5.467,49 3.285,50 4.052,51 4.257,52 3.201,53 3.265,54 5.159,55 3.179,56 0.141,57 0.553,58 9.75,59 4.192,60 24.411,61 4.379,62 0.48,63 0.845,64 15.149,65 6.672,66 73.963,67 7.36,68 0.652,69 1.026,70 25.014,71 8.912,72 78.859,73 9.711,74 0.536,75 1.002,76 25.301,77 8.565,78 77.681,79 9.569,80 0.489,81 0.92,82 21.795,83 7.478,84 71.256,85 8.986,86 0.452,87 0.803,88 20.57,89 6.97,90 56.217,91 7.965,92 0.462,93 0.686,94 17.967,95 6.182,96 66.106,97 6.994,98 0.291,99 0.603,100 13.708,101 5.149,102 48.5,103 6.407,104 20,105 32,106 0.3,107 0.613,108 0.734,109 0.824,110 0.837,111 0.837,112 3.186,113 1.055,114 -2.97,115 -2.98,116 -2.87,118 40,120 1,124 2,140 9,141 1,142 2,154 1,163 1,167 1,168 9,171 1,172 2,173 1,175 3,177 1,180 10,185 1,186 6,189 1,191 3,194 6,198 7,203 4,207 2,210 7,215 5,218 2,219 2,222 6,227 2,229 4,230 1,234 5,237 1,239 1,242 7,243 1,247 1,252 1,255 9,258 2,265 1,267 6,270 744,271 15.076,272 15.076,273 15.076,274 15.076,275 15.076,276 13.132,277 12.172,278 9.136,279 15.371,280 11.845,281 11.845,282 11.845,283 11.845,284 11.845,285 8.892,286 8.676,287 4.353,288 12.347,289 3.627,290 1.864,291 1.182,292 0.669,293 0.6,294 0.6,295 3.848,298 1,299 1,300 1,301 551,302 3.937,306 178.33,313 1.909,314 35.149,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 51.5,326 269,327 4.842,328 4.683,329 7.292,330 4.289,331 3.372,332 4.694,333 2.423,334 12.402,335 3.061,336 4.041,337 3.627,338 5.496,339 3.637,340 2.664,341 3.637,342 0.922,343 7.4,344 2.599,345 3.592,346 2.899,347 5.145,348 3.266,349 2.301,350 3.053,352 6.417,353 2.197,354 3.554,355 2.579,356 4.922,357 3.064,358 2.074,359 2.821,361 5.38,362 2.045,363 3.419,364 2.066,365 4.603,366 3.019,367 2.026,368 2.633,370 5.029,371 1.996,372 2.71,373 1.599,374 3.716,375 2.274,376 1.306,377 1.788,379 2.889,380 1.258,381 2.5,382 1.44,383 3.414,384 2.053,385 1.075,386 1.5,388 2.427,389 1.049,390 2.5,391 1.126,392 3.403,393 2,394 1,395 1.5,397 2.275,398 1,399 2.3,400 1,401 3.247,402 2,403 1,404 1.261,406 2.136,407 1,408 1.837,409 1,410 3.034,411 1.525,412 0.627,413 0.713,415 1.387,416 0.552,417 1.211,418 0.571,419 2.783,420 0.949,421 -0.012,422 -0.014,424 -0.029,425 -0.012,426 1,427 0.337,428 2.505,429 0.412,430 -0.556,431 -0.647,433 -1.311,434 -0.526,435 0.744,436 0.081,437 2,438 0.228,439 -0.732,440 -1.03,442 -1.649,443 -0.684,444 0.709,445 -0.243,446 2,447 0.011,448 -1,449 -1.205,451 -2,452 -0.946,453 0.5,454 -0.72,455 2,457 -1,458 -1.468,460 -2.347,461 -1,462 10.9,463 0.474,464 0.615,465 0.027,466 30.75,467 1.337,468 17,469 0.739,470 13.75,471 0.598,472 15.018,473 0.653,474 25.7,475 0.643,476 22.714,477 0.988,478 6.273,479 0.273,480 4.698,481 0.204,482 0.122,483 0.076,484 0.183,487 0.66,488 1.239,489 0.83,490 1.252,491 0.721,492 0.95,493 0.654,494 1.105,495 0.92,496 1.064,497 0.502,498 1.055,499 0.938,500 1.086,501 1.243,502 1.147,503 0.899,504 1.079,505 1.095,506 1.164,507 1.264,508 1.168,509 1.084,510 1.128,511 0.989,512 1.01,513 0.921,514 0.915,515 1.072,516 0.983,517 1.08,518 0.949,519 1.055,520 0.976,521 0.994,522 0.964,523 1.141,524 0.845,525 1.072,526 0.922,527 1.188,528 0.955,529 0.768,530 0.957,531 0.71,532 0.897,533 0.863,534 0.979,535 5.5,536 0.082,537 2.667,538 1.063,539 0.791,540 0.674,541 0.406,542 0.243,543 0.14,544 0.123,545 6056,546 22261,547 1.961,548 42.5,550 13,553 2,555 2,558 1.649,559 1.828,560 3.494,561 0.364,562 1,563 1,565 1,567 67.781,568 1.695,569 3.458,570 4.14,571 4.653,572 4.722,573 4.722,574 2.968,575 3.915,576 4.493,577 3.691,578 933.72,579 7.694,580 11357,581 1,582 1,584 1,585 212.877,586 1.51,587 4.439,588 0.229,589 0.007,590 0.083,591 0.035,592 0.032,593 0.029,594 0.019,595 0.013,596 0.008,597 0.008,598 0.464,599 0.33,600 1,601 1.226,602 111.18,603 0.013,604 -0.061,605 0.198,606 -0.054,607 -0.142,608 0.038,609 0.209,610 -0.015,611 -0.015,612 -0.044,613 0.252,614 -0.11,615 -0.001,616 -0.06,617 -0.141,618 -0.058,619 -0.023,620 -0.09,621 -0.175,622 -0.164,623 -0.194,624 -0.133,625 -0.123,626 -0.139,627 -0.116,628 -0.043,629 0.003,630 -0.004,631 -0.091,632 -0.001,633 -0.141,634 0.017,635 -0.03,636 0.013,637 -0.053,638 0.029,639 -0.133,640 0.088,641 -0.093,642 0.05,643 -0.123,644 0.032,645 -0.017,646 -0.035,647 0.085,648 -0.016,649 -0.089,650 0.03,651 4.413,652 5.039,653 0.522,654 22.393,655 1.022,656 1.12,657 1.743,658 3.038,659 0.675,660 3.219,661 3.497,662 3.611,663 3.714,664 3.871,665 3.761,666 3.761,667 3.714,668 3.761,669 3.714,670 6.885,671 0.65,672 335.41,673 3.219,674 4.727,675 5.517,676 6.358,677 7.169,678 8.012,679 8.832,680 9.677,681 10.502,682 11.347,683 2.5,685 1,699 9,704 3,706 12,722 1,724 40,726 15,727 2,728 24,730 41,731 16,733 12,734 3,735 9,739 2,740 2,751 1,753 13,754 3,756 3,760 1,761 3,765 1,768 1,769 1,772 17,773 6,774 2,775 7,776 1,779 1,784 1,785 5,802 2,818 1,830 1,832 2,834 1,840 23,844 1,845 1,846 3,847 1,848 1,862 12.5,864 1,865 3,867 1,869 12.583,870 6.783,871 5.125,872 2.147,874 2.103,875 1.33,876 0.934,877 6.019,878 8.478,879 3.526,880 4.094,881 4.466,882 4.879,883 5.347,884 5.256,885 5.428,886 5.324,887 5.583,888 5.686,889 0.875,890 30,891 8.686,893 3.826,894 8.243,895 15.665,897 12.453,899 2.743,900 63.083,903 1,904 176.567,905 111.216,906 16.405,908 123.141,910 5.807,911 105.408,912 299.708,913 16.405,915 9.233,916 107.499,917 113.051,918 20.98,920 176.567,922 176.567,923 121.813,924 123.141,925 5.807,927 153.024,928 146.683,931 25.638,932 96.176,933 5.807,935 176.567,936 139.546,937 111.216,939 5.807,940 176.567,941 20.122,942 85.286,943 16.405,944 123.141,945 176.567,946 139.546,947 111.216,949 0.574,950 0.303,951 0.143,952 0.08,953 13,954 6,955 0.195,956 8,958 1,959 3.607,960 161.78,962 12,963 94.042,967 1,968 17.317,969 7.995,970 5.583,972 139.546,973 15.033,978 1.613,980 59.088,981 427.329,982 33,986 -3.497,987 34.479,991 -1.038,994 40.884,995 44.787,996 0.318,997 0.65,998 0.778,999 0.874,1000 0.887,1001 0.887,1002 4.727,1003 1,1004 5.517,1005 2.427,1006 4.174,1007 4.779,1008 2.502,1009 6.293,1010 4.088,1011 5.949,1012 1,1013 7.069,1014 2.275,1015 3.892,1016 4.832,1017 2.243,1018 7.535,1019 3.698,1020 7.284,1021 0.627,1022 8.748,1023 2.136,1024 5.796,1025 7.052,1026 3.836,1027 10.484,1028 5.577,1029 8.666,1030 -0.012,1031 10.514,1032 1.387,1033 6.347,1034 7.943,1035 4.238,1036 12.616,1037 5.975,1038 10.089,1039 -0.556,1040 12.341,1041 -0.029,1042 7.785,1043 9.719,1044 5.437,1045 15.231,1046 7.383,1047 11.543,1048 -0.732,1049 14.212,1050 -1.311,1051 8.708,1052 10.971,1053 6.111,1054 17.638,1055 8.144,1056 13.022,1057 -1,1058 16.114,1059 -1.649,1060 9.983,1061 12.596,1062 7.138,1063 20.181,1064 9.367,1065 3.372,1066 -1,1067 18.04,1068 -2,1069 11.071,1070 14.01,1071 7.928,1072 22.666,1073 10.305,1074 2.664,1075 12.402,1076 19.983,1077 -2.347,1078 12.295,1079 15.581,1080 8.878,1081 25.191,1082 11.453,1083 2.301,1084 7.4,1085 21.938,1086 4.694,1087 13.454,1088 17.067,1089 9.719,1090 27.699,1091 12.479,1092 2.074,1093 6.417,1094 23.902,1095 3.637,1096 14.664,1097 18.619,1098 10.635,1099 30.219,1100 13.599,1101 2.026,1102 5.38,1103 25.872,1104 3.053,1105 15.853,1106 20.137,1107 11.499,1108 32.733,1109 14.669,1110 1.306,1111 5.029,1112 27.847,1113 2.821,1114 17.061,1115 21.683,1116 12.399,1117 35.252,1118 15.78,1119 1.075,1120 2.889,1121 29.825,1122 2.633,1123 18.264,1124 23.215,1125 13.274,1126 37.769,1127 16.871,1128 6112,1129 11849,1130 15.485,1131 27.017,1132 35.089,1133 36.299,1134 35.446,1135 34.923,1136 34.89,1137 47.202,1138 6.69,1139 95.485,1140 33.513,1141 5.742,1142 6.683,1143 7.094,1144 5.334,1145 5.372,1146 7.694,1147 4.104,1148 19.546,1149 5.061,1150 12.357,1151 1.462,1152 1.512,1153 1.477,1154 1.455,1155 1.454,1156 1.967,1157 0.279,1158 3.979,1159 1.396,1160 4.075,1161 4.058,1162 4.734,1163 4.06,1164 7.717,1165 3.972,1166 3.921,1167 3.939,1168 3.865,1169 3.855,1170 7.474,1171 3.849,1172 3.652,1173 3.67,1174 3.676,1175 3.556,1176 6.999,1177 3.496,1178 3.535,1179 3.534,1180 3.47,1181 3.284,1182 6.351,1183 3.314,1184 3.308,1185 3.336,1186 3.208,1187 3.151,1188 4.837,1189 3.138,1190 2.854,1191 2.925,1192 2.732,1193 2.735,1194 4.715,1195 2.715,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 4.307,1201 2.715,1202 2.837,1203 2.867,1204 2.687,1205 2.61,1206 4.005,1207 2.621,1208 0.202,1209 0.195,1210 0.304,1211 0.179,1212 0.14,1213 4.842,1214 0.196,1215 4.683,1216 0.101,1217 7.292,1218 0.517,1219 4.289,1220 0.128,1221 3.372,1222 4.694,1223 2.423,1224 12.402,1225 3.061,1226 1.963,1227 1.967,1228 2.04,1229 2.043,1230 1.249,1231 2.078,1232 1.907,1233 1.885,1234 1.994,1235 1.99,1236 1.14,1237 2.006,1238 1.547,1239 1.533,1240 1.705,1241 1.754,1242 0.895,1243 1.763,1244 1.389,1245 1.383,1246 1.563,1247 1.661,1248 0.694,1249 1.639,1250 1.242,1251 1.221,1252 1.181,1253 1.414,1254 0.538,1255 1.456,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.886,1263 0.821,1264 1.176,1265 1.062,1266 0.218,1267 1.107,1268 0.755,1269 0.706,1270 1.034,1271 1.047,1272 0.192,1273 1.02,1274 3.892,1276 5.176,1278 6.645,1280 8.193,1282 9.784,1289 8.526,1290 0.397,1291 2.542,1292 5.028,1300 25.997,1301 67.781,1302 138.309,1303 165.593,1304 186.122,1305 188.877,1306 188.877,1307 57.696,1308 6.375,1309 92.7,1310 101.08,1311 12,1312 11.913,1313 4,1314 3.322,1315 45.755,1316 96,1317 88,1318 0.233,1319 166.876,1320 293.82,1321 398.937,1322 4569,1324 16.709,1325 0.726,1326 0.571,1327 16.959,1328 13.122,1329 10.971,1330 0.457,1331 0.352,1332 6.976,1333 9.731,1334 6.722,1335 5.578,1336 11.792,1337 8.438,1338 10.074,1339 0.315,1340 0.205,1341 11.397,1342 6.554,1343 7.262,1344 0.202,1345 0.126,1346 8.37,1347 4.522,1348 5.312,1349 0.133,1350 0.074,1351 6.186,1352 2.963,1353 4.181,1354 0.089,1355 0.042,1356 4.877,1357 1.995,1358 0.38,1359 77.528,1360 0.254,1361 23.335,1362 0.6,1363 112,1364 418.285,1365 162.546,1366 414.094,1367 536.59,1368 378,1369 124,1370 342.661,1371 179.592,1372 379.511,1373 542.3,1374 354,1375 4.026} {0 CHEMBL83,1 1.217,2 10.964,3 6.32,4 39.939,5 119.255,6 6.519,7 0.6,8 4.085,9 4.209,10 3.544,11 3.684,12 5.097,13 3.62,14 4.603,15 4.795,16 3.819,17 4.04,18 5.514,19 3.951,20 4.818,21 5.026,22 3.891,23 4.201,24 5.676,25 4.078,26 4.908,27 5.138,28 3.932,29 4.265,30 5.721,31 4.132,32 4.997,33 5.212,34 4.036,35 4.381,36 5.865,37 4.25,38 5.113,39 5.346,40 4.016,41 4.449,42 5.968,43 4.287,44 5.134,45 5.406,46 3.805,47 4.326,48 5.923,49 4.129,50 4.922,51 5.215,52 3.469,53 3.984,54 5.657,55 3.778,56 0.06,57 0.719,58 12.886,59 5.695,60 11.047,61 7.853,62 0.168,63 1.18,64 22.402,65 9.009,66 20.465,67 12.572,68 0.234,69 1.407,70 27.76,71 11.882,72 25.861,73 16.408,74 0.162,75 1.533,76 30.189,77 13.309,78 24.695,79 18.509,80 0.205,81 1.687,82 33.081,83 14.435,84 31.914,85 19.973,86 0.17,87 1.916,88 36.88,89 16.344,90 37.358,91 23.059,92 0.199,93 1.895,94 38.175,95 16.458,96 41.571,97 23.278,98 0.221,99 1.468,100 31.453,101 12.916,102 36.586,103 18.032,104 17,105 39,106 0.199,107 0.461,108 0.62,109 0.721,110 0.782,111 0.799,112 3.375,113 0.991,114 -6.43,115 -6.26,116 -5.81,118 45.6,119 1,120 1,123 2,124 2,134 2,140 14,141 3,142 1,168 22,172 2,180 29,185 1,186 2,194 32,198 1,206 34,210 3,218 38,222 4,229 31,234 5,242 17,247 6,255 6,259 5,267 1,270 1454,271 19.25,272 19.25,273 19.25,274 19.25,275 19.25,276 16.904,277 12.196,278 11.844,279 19.506,280 14.786,281 14.786,282 14.786,283 14.786,284 14.786,285 11.346,286 11.828,287 5.559,288 15.175,289 4.616,290 3.017,291 2.045,292 1.426,293 1.057,294 0.952,295 4.059,300 1,301 644,302 3.873,306 315.113,313 1.689,314 9.301,317 0.75,318 0.83,319 0.83,320 0.7,321 0.5,322 0.83,323 1,324 0.78,325 57.5,326 307,327 4.573,328 3.265,329 6.888,330 4.198,331 3.198,332 4.187,333 0.86,334 11.542,335 3.197,336 3.996,337 2.892,338 5.89,339 3.61,340 2.624,341 3.567,342 0.8,343 8.154,344 2.596,345 3.868,346 2.609,347 5.413,348 3.457,349 2.487,350 3.42,352 7.093,353 2.408,354 3.533,355 2.542,356 5.135,357 3.154,358 2.224,359 2.936,361 6.126,362 2.08,363 3.247,364 2.194,365 4.65,366 3.058,367 2.095,368 2.464,370 5.153,371 1.99,372 3.179,373 1.922,374 4.559,375 2.779,376 1.788,377 2.211,379 4.47,380 1.769,381 2.883,382 1.545,383 3.805,384 2.444,385 1.449,386 2.043,388 3.158,389 1.44,390 2.598,391 1.393,392 3.495,393 2.147,394 1.152,395 1.604,397 2.615,398 1.146,399 2.5,400 1.232,401 3.414,402 2,403 1.077,404 1.5,406 2.293,407 1,408 2.5,409 1,410 3.346,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.162,427 1,428 3.247,429 1.996,430 1,431 1.145,433 2.136,434 0.98,435 1.804,436 0.659,437 3.184,438 1.559,439 0.566,440 0.675,442 1.188,443 0.561,444 1.194,445 0.234,446 2.473,447 0.954,453 0.963,454 -0.156,455 2.382,456 0.728,457 -0.242,458 -0.275,460 -0.511,461 -0.235,462 13.733,463 0.49,464 0.486,465 0.017,466 36.25,467 1.295,468 20,469 0.714,470 16.25,471 0.58,472 23.009,473 0.822,474 29.467,475 0.517,476 27.395,477 0.978,478 7.407,479 0.265,480 6.278,481 0.224,482 0.109,484 0.248,487 0.898,488 1.194,489 0.932,490 1.086,491 0.999,492 1.021,493 1.575,494 0.864,495 1.017,496 0.869,497 1.057,498 0.893,499 1.223,500 0.932,501 1.033,502 0.98,503 1.115,504 0.996,505 0.837,506 0.941,507 0.911,508 0.964,509 0.826,510 0.949,511 1.159,512 0.966,513 1.026,514 0.98,515 1.097,516 0.999,517 0.54,518 1.128,519 1.072,520 1.153,521 0.92,522 1.145,523 0.664,524 1.076,525 1.024,526 1.112,527 1.013,528 1.093,529 1.31,530 0.962,531 0.957,532 0.981,533 1.18,534 0.958,535 4,536 0.107,537 2.444,538 1.75,539 1.284,540 0.771,541 0.546,542 0.417,543 0.216,544 0.076,545 9080,546 18604,547 2.055,548 50.9,549 5,550 24,558 1.715,559 1.953,560 3.332,561 -0.919,567 69.382,568 1.217,569 2.816,570 3.788,571 4.407,572 4.776,573 4.881,574 2.901,575 4.138,576 4.768,577 3.569,578 1348.99,579 8.326,580 17825.1,585 332.475,586 1.255,587 4.752,588 0.133,589 0.006,590 0.063,591 0.043,592 0.03,593 0.016,594 0.012,595 0.012,596 0.009,597 0.004,598 0.329,599 0.5,600 0.88,601 1.304,602 140.095,603 0.068,604 -0.098,605 0.056,606 -0.038,607 -0.037,609 -0.145,610 0.219,611 0.001,612 0.119,613 -0.013,614 0.082,615 0.024,616 0.075,617 -0.037,618 0.029,619 -0.061,620 -0.003,621 0.02,622 0.04,623 0.062,624 0.049,625 0.075,626 0.057,627 -0.115,628 0.029,629 -0.044,630 0.035,631 -0.06,632 0.003,633 -0.011,634 -0.133,635 -0.119,636 -0.144,637 -0.048,638 -0.138,639 0.039,640 -0.12,641 -0.061,642 -0.125,643 -0.046,644 -0.102,645 0.031,646 -0.042,647 0.041,648 -0.017,649 0.021,650 0.008,651 0.808,652 2.371,653 0.643,654 29.204,655 0.979,656 1.114,657 5.201,658 27.046,659 0.669,660 3.434,661 3.689,662 3.932,663 4.19,664 4.419,665 4.419,666 4.554,667 4.635,668 4.615,669 4.511,670 6.507,671 0.616,672 371.56,673 3.434,674 4.934,675 5.759,676 6.613,677 7.465,678 8.332,679 9.196,680 10.071,681 10.943,682 11.822,683 1.8,686 1,699 14,704 4,706 18,722 1,724 57,726 19,727 3,728 30,730 59,731 26,733 18,734 4,735 14,736 2,739 3,740 3,745 1,751 1,753 20,754 6,756 1,765 2,772 29,773 2,775 2,779 1,784 1,785 1,802 3,823 2,828 1,832 3,836 3,840 28,846 3,848 1,851 1,862 1.8,867 1,869 14.333,870 11.033,871 6.444,872 3.528,874 2.686,875 1.388,876 0.969,877 7.189,878 9.607,879 3.714,880 4.256,881 4.826,882 5.403,883 5.98,884 6.177,885 6.654,886 7.048,887 7.348,888 7.534,889 1,890 41,891 10.321,893 4.116,894 7.429,895 20.36,897 16.086,899 1.929,900 54,904 341.362,905 188.689,906 3.124,908 11,911 188.689,912 352.362,913 3.124,914 25.618,915 9.233,916 132.667,918 35.296,920 341.362,922 341.362,923 191.814,924 11,927 341.362,928 11,931 21.182,932 170.632,935 341.362,936 14.124,937 188.689,940 341.362,941 30.404,942 161.41,944 11,945 341.362,946 14.124,947 188.689,949 0.557,950 0.318,951 0.181,952 0.104,953 16,954 7,955 0.136,956 8,958 1,959 3.927,960 234.857,962 18,963 120.606,968 20.069,969 10.029,970 5.423,972 14.124,973 29.821,978 4.641,981 544.176,982 40,991 2.641,994 55.8,995 63.521,996 0.209,997 0.483,998 0.649,999 0.756,1000 0.819,1001 0.837,1002 4.902,1003 1.152,1004 5.7,1005 3.158,1006 4.369,1007 4.942,1008 1.235,1009 6.466,1010 4.327,1011 6.075,1012 1.077,1013 7.222,1014 2.615,1015 3.761,1016 4.443,1017 0.325,1018 7.349,1019 3.693,1020 7.349,1021 1,1022 8.854,1023 2.293,1024 5.894,1025 7.068,1026 0.938,1027 10.483,1028 5.827,1029 8.666,1030 1,1031 10.559,1032 2.275,1033 6.176,1034 7.44,1035 0.268,1036 12.317,1037 6.103,1038 10.02,1039 1,1040 12.315,1041 2.136,1042 7.727,1043 9.482,1044 0.732,1045 14.973,1046 7.655,1047 11.403,1048 0.566,1049 14.108,1050 2.136,1051 8.447,1052 10.303,1053 0.188,1054 17.183,1055 8.383,1056 12.809,1058 15.929,1059 1.188,1060 9.751,1061 12.053,1062 0.57,1063 19.694,1064 9.688,1065 3.198,1066 -0.242,1067 17.771,1069 10.695,1070 13.129,1071 0.125,1072 22.049,1073 10.643,1074 2.624,1075 11.542,1076 19.63,1077 -0.511,1078 11.897,1079 14.722,1080 0.438,1081 24.514,1082 11.848,1083 2.487,1084 8.154,1085 21.502,1086 4.187,1087 12.951,1088 15.946,1089 0.082,1090 26.925,1091 12.911,1092 2.224,1093 7.093,1094 23.385,1095 3.567,1096 14.116,1097 17.456,1098 0.334,1099 29.376,1100 14.08,1101 2.095,1102 6.126,1103 25.276,1104 3.42,1105 15.224,1106 18.767,1107 0.054,1108 31.808,1109 15.194,1110 1.788,1111 5.153,1112 27.173,1113 2.936,1114 16.378,1115 20.233,1116 0.252,1117 34.255,1118 16.351,1119 1.449,1120 4.47,1121 29.077,1122 2.464,1123 17.512,1124 21.594,1125 0.035,1126 36.695,1127 17.489,1128 8994,1129 12974,1130 20.167,1131 38.12,1132 44.017,1133 43.609,1134 44.949,1135 43.407,1136 43.319,1137 57.503,1138 3.32,1139 116.674,1140 42.334,1141 5.44,1142 5.265,1143 6.69,1144 5.242,1145 5.198,1146 7.187,1147 1.72,1148 18.754,1149 5.197,1150 12.38,1151 1.467,1152 1.454,1153 1.498,1154 1.447,1155 1.444,1156 1.917,1157 0.111,1158 3.889,1159 1.411,1160 4.05,1161 4.071,1162 4,1163 4.009,1164 4.894,1165 4.004,1166 3.857,1167 3.885,1168 3.788,1169 3.8,1170 4.765,1171 3.793,1172 3.823,1173 3.852,1174 3.749,1175 3.755,1176 4.712,1177 3.75,1178 3.66,1179 3.742,1180 3.516,1181 3.446,1182 4.399,1183 3.451,1184 3.511,1185 3.576,1186 3.37,1187 3.395,1188 4.233,1189 3.382,1190 3.236,1191 3.307,1192 3.058,1193 3.031,1194 4.096,1195 3.023,1196 3.081,1197 3.147,1198 2.894,1199 2.929,1200 3.763,1201 2.91,1202 2.874,1203 3.009,1204 2.687,1205 2.735,1206 3.674,1207 2.715,1208 0.152,1209 0.109,1210 0.23,1211 0.14,1212 0.107,1213 4.573,1214 0.14,1215 3.265,1216 0.029,1217 6.888,1218 0.385,1219 4.198,1220 0.107,1221 3.198,1222 4.187,1223 0.86,1224 11.542,1225 3.197,1226 2.023,1227 2.005,1228 2.115,1229 2.081,1230 1.291,1231 2.093,1232 1.866,1233 1.839,1234 1.993,1235 1.952,1236 1.108,1237 1.964,1238 1.823,1239 1.797,1240 1.951,1241 1.925,1242 1.061,1243 1.937,1244 1.614,1245 1.536,1246 1.872,1247 1.852,1248 1.001,1249 1.866,1250 1.536,1251 1.474,1252 1.811,1253 1.703,1254 0.947,1255 1.744,1256 1.215,1257 1.142,1258 1.558,1259 1.48,1260 0.697,1261 1.507,1262 1.107,1263 1.039,1264 1.417,1265 1.253,1266 0.481,1267 1.308,1268 0.934,1269 0.821,1270 1.335,1271 1.239,1272 0.469,1273 1.285,1274 4.111,1276 5.38,1278 6.855,1280 8.425,1282 10.048,1284 6.336,1290 2.568,1292 5.871,1295 2.123,1300 35.111,1301 69.382,1302 160.511,1303 215.888,1304 251.191,1305 272.21,1306 278.21,1307 38.988,1308 6.921,1309 12.47,1310 12.47,1311 18,1312 12.36,1313 4.322,1314 3.459,1315 49.443,1316 101,1317 136,1318 0.227,1319 219.508,1320 381.97,1321 527.359,1322 7804,1324 19.769,1325 0.706,1326 0.609,1327 19.769,1328 17.06,1329 13.686,1330 0.456,1331 0.33,1332 9.833,1333 13.43,1334 9.446,1335 7.979,1336 13.686,1337 9.907,1338 11.551,1339 0.296,1340 0.182,1341 11.551,1342 7.115,1343 9.245,1344 0.185,1345 0.096,1346 9.245,1347 4.79,1348 7.762,1349 0.119,1350 0.052,1351 7.762,1352 3.348,1353 6.393,1354 0.078,1355 0.028,1356 6.393,1357 2.306,1358 0.352,1359 83.805,1360 0.223,1361 26.692,1362 0.636,1363 138,1364 313.381,1365 142.958,1366 314.232,1367 441.4,1368 298,1369 158,1370 326.863,1371 163.209,1372 340.712,1373 491.62,1374 320,1375 6.038} {0 CHEMBL89938,1 1.406,2 7.053,3 2.783,4 7.746,5 75.545,6 7.093,7 0.3,8 3.637,9 3.75,10 3.154,11 3.244,12 4.772,13 3.196,14 4.163,15 4.349,16 3.518,17 3.618,18 5.213,19 3.559,20 4.361,21 4.509,22 3.719,23 3.805,24 5.549,25 3.75,26 4.606,27 4.778,28 3.654,29 3.855,30 5.843,31 3.768,32 4.673,33 4.9,34 3.472,35 3.776,36 5.915,37 3.649,38 4.478,39 4.739,40 3.228,41 3.573,42 5.541,43 3.416,44 4.298,45 4.605,46 2.872,47 3.27,48 5.288,49 3.084,50 3.831,51 4.148,52 2.168,53 2.771,54 4.704,55 2.542,56 0.01,57 0.464,58 7.286,59 3.566,60 5.257,61 4.659,62 0.066,63 0.753,64 13.558,65 5.872,66 14.18,67 7.929,68 0.048,69 0.907,70 16.171,71 7.206,72 17.061,73 9.377,74 0.237,75 1.084,76 22.283,77 8.606,78 60.34,79 10.949,80 0.444,81 1.116,82 25.345,83 8.98,84 104.132,85 11.892,86 0.233,87 0.939,88 20.682,89 7.743,90 51.604,91 10.827,92 0.232,93 0.774,94 17.976,95 6.203,96 45.354,97 9.05,98 0.12,99 0.482,100 11.226,101 3.86,102 25.771,103 5.685,104 37,105 29,106 0.258,107 0.556,108 0.689,109 0.733,110 0.767,111 0.82,112 3.012,113 0.949,114 -3.48,115 -3.46,116 -3.3,118 44.4,119 4,121 1,134 4,140 2,141 1,143 2,152 2,168 10,172 6,180 11,186 10,194 13,198 8,206 13,209 1,210 4,218 9,221 1,222 4,229 6,233 1,234 3,242 3,247 1,255 1,270 411,271 12.226,272 12.226,273 12.226,274 12.226,275 12.226,276 10.69,277 9.702,278 6.928,279 12.243,280 9.72,281 9.72,282 9.72,283 9.72,284 9.72,285 7.391,286 12.297,287 3.197,288 9.7,289 3.764,290 2.135,291 1.411,292 1.168,293 0.98,294 0.695,295 3.654,298 1,299 1,300 1,301 273,302 2.55,306 125.029,313 0.909,314 23.269,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 40.5,326 134,327 4.674,328 3.87,329 7.023,330 4.339,331 3.323,332 4.193,333 0.68,334 11.783,335 3.372,336 4.096,337 3.421,338 6.291,339 3.786,340 2.783,341 3.56,343 9.133,344 2.791,345 3.74,346 3.128,347 5.791,348 3.344,349 2.303,350 3.123,352 7.292,353 2.392,354 3.617,355 2.472,356 5.628,357 3.236,358 2.238,359 2.804,361 7.051,362 2.23,363 3.006,364 2.129,365 4.334,366 2.586,367 1.609,368 2.172,370 3.705,371 1.568,372 2.5,373 1.738,374 3.618,375 1.982,376 1,377 1.5,379 2.423,380 0.979,381 2.427,382 1.216,383 3.618,384 1.952,385 0.98,386 1.241,388 2.136,389 0.949,390 2.158,391 1.171,392 3.247,393 1.694,394 0.618,395 0.871,397 1.464,398 0.659,399 1.495,400 1,401 3.203,402 1.347,403 0.316,404 0.357,406 0.73,407 0.325,408 1.081,409 0.35,410 2.278,411 0.78,412 -0.277,413 -0.337,415 -0.63,416 -0.289,417 0.63,418 -0.51,419 2,420 0.213,421 -0.755,422 -0.964,424 -1.614,425 -0.727,426 0.5,427 -0.608,428 1.775,429 -0.026,430 -1,431 -1.482,433 -2.347,434 -0.974,436 -0.707,437 1.555,438 -0.205,439 -1.257,440 -1.5,442 -3.039,443 -1.292,445 -1,446 1.382,447 -0.249,448 -1.303,449 -1.603,451 -3.292,452 -1.383,454 -1.085,455 1.382,456 -0.428,457 -1.442,458 -1.709,460 -4.066,461 -1.47,462 9.067,463 0.477,464 0.639,465 0.034,466 23,467 1.211,468 12,469 0.632,470 11,471 0.579,472 16.431,473 0.865,474 20.333,475 0.565,476 16.038,477 0.844,478 4.521,479 0.238,480 4.426,481 0.233,482 0.294,484 0.441,487 0.515,488 1.153,489 0.811,490 1.073,491 0.538,492 0.998,493 0.596,494 0.851,495 0.66,496 0.809,497 0.563,498 0.748,499 0.828,500 1.188,501 0.889,502 1.179,503 0.853,504 1.064,505 1.619,506 1.214,507 1.312,508 1.24,509 1.675,510 1.24,511 1.523,512 0.964,513 1.236,514 0.99,515 1.537,516 1.065,517 0.867,518 1.046,519 0.989,520 1.031,521 0.903,522 1.034,523 0.766,524 0.832,525 0.857,526 0.82,527 0.736,528 0.843,529 0.8,530 0.888,531 0.998,532 0.904,533 0.709,534 0.958,535 3.5,537 3.111,538 2.188,539 1.658,540 0.694,541 0.367,542 0.212,543 0.078,544 0.016,545 2596,546 7127,547 1.906,548 47.2,549 13,550 2,552 2,558 1.611,559 1.701,560 2.812,561 -0.828,563 1,565 1,567 50.63,568 1.406,569 3.035,570 3.759,571 4.002,572 4.19,573 4.475,574 2.189,575 3.616,576 4.223,577 2.886,578 493.548,579 7.229,580 4713.16,581 1,582 1,584 1,585 186.117,586 1.557,587 4.121,588 0.175,590 0.107,591 0.064,592 0.057,593 0.03,594 0.02,595 0.018,596 0.016,597 0.016,598 0.503,599 1,600 1,601 0.749,602 80.01,603 0.003,604 -0.049,605 0.027,606 -0.004,607 -0.042,608 0.01,609 0.037,610 0.195,611 0.244,612 0.215,613 0.034,614 0.255,615 0.017,616 -0.15,617 0.013,618 -0.149,619 0.017,620 -0.078,621 -0.224,622 -0.228,623 -0.331,624 -0.263,625 -0.205,626 -0.305,627 -0.107,628 -0.021,629 -0.212,630 -0.043,631 -0.064,632 -0.128,633 0.047,634 -0.115,635 -0.004,636 -0.072,637 0.013,638 -0.055,639 0.095,640 0.093,641 0.157,642 0.106,643 0.065,644 0.134,645 -0.034,646 0.034,647 0.008,648 0.016,649 -0.019,650 0.021,651 1.692,652 5.418,653 0.632,654 10.388,655 0.995,656 1.118,657 2.248,658 5.051,659 0.667,660 3.045,661 3.401,662 3.714,663 3.892,664 4.043,665 3.97,666 3.85,667 3.714,668 3.611,669 3.367,670 4.27,671 0.63,672 255.34,673 3.045,674 4.595,675 5.468,676 6.358,677 7.248,678 8.144,679 9.04,680 9.939,681 10.838,682 11.74,683 2.8,693 1,699 4,700 1,704 1,706 6,724 36,726 10,728 20,730 37,731 16,733 5,736 6,739 2,740 2,745 4,753 11,754 5,755 1,756 4,761 2,765 6,769 1,772 17,773 3,775 3,779 1,784 1,785 2,795 1,802 2,814 2,823 4,832 2,836 4,840 19,850 1,862 5.6,865 2,869 11.167,870 7.95,871 4.222,872 2.231,874 1.836,875 1.3,876 0.937,877 3.482,878 7.948,879 3.332,880 3.922,881 4.497,882 4.914,883 5.331,884 5.372,885 5.495,886 5.653,887 5.883,888 5.936,889 0.8,890 34,891 7.064,893 2.986,894 7.921,895 13.278,897 10.695,899 2.421,900 46,901 0.001,904 200.109,905 98.543,906 16.786,908 50.29,911 98.543,912 250.399,913 16.786,914 35.301,916 18.952,917 100.885,918 34.023,920 176.567,922 200.109,923 115.329,924 50.29,927 200.109,928 50.29,931 53.396,932 45.147,933 16.786,935 200.109,936 67.075,937 98.543,940 200.109,941 26.195,942 72.348,944 67.075,945 200.109,946 67.075,947 98.543,949 0.598,950 0.381,951 0.191,952 0.095,953 14,954 8,955 0.054,956 2,958 1,959 2.891,960 140.557,962 12,963 78.711,968 13.419,969 4.93,970 2.167,972 67.075,973 7.199,974 4.073,978 0.949,981 365.727,982 27,987 24.562,991 2.227,994 35.825,995 40.239,996 0.272,997 0.587,998 0.727,999 0.774,1000 0.81,1001 0.866,1002 4.59,1003 0.618,1004 5.501,1005 2.136,1006 4.078,1007 4.605,1008 0.655,1009 6.389,1010 4.091,1011 5.836,1012 0.316,1013 7.133,1014 1.464,1015 3.892,1016 4.527,1018 7.469,1019 3.94,1020 7.179,1021 -0.277,1022 8.87,1023 0.73,1024 5.753,1025 6.795,1026 0.356,1027 10.631,1028 5.789,1029 8.56,1030 -0.755,1031 10.662,1032 -0.63,1033 6.365,1034 7.493,1036 12.48,1037 6.439,1038 9.972,1039 -1,1040 12.488,1041 -1.614,1042 7.757,1043 9.269,1044 0.18,1045 15.205,1046 7.824,1047 11.407,1048 -1.257,1049 14.336,1050 -2.347,1051 8.698,1052 10.316,1054 17.378,1055 8.795,1056 12.86,1057 -1.303,1058 16.199,1059 -3.039,1060 9.941,1061 11.897,1062 0.087,1063 19.948,1064 10.039,1065 3.323,1066 -1.442,1067 18.075,1068 -3.292,1069 11.022,1070 13.121,1072 22.275,1073 11.144,1074 2.783,1075 11.783,1076 19.961,1077 -4.066,1078 12.22,1079 14.614,1080 0.041,1081 24.782,1082 12.35,1083 2.303,1084 9.133,1085 21.854,1086 4.193,1087 13.361,1088 15.932,1090 27.181,1091 13.511,1092 2.238,1093 7.292,1094 23.754,1095 3.56,1096 14.549,1097 17.387,1098 0.019,1099 29.663,1100 14.71,1101 1.609,1102 7.051,1103 25.66,1104 3.123,1105 15.718,1106 18.756,1108 32.097,1109 15.896,1110 1,1111 3.705,1112 27.571,1113 2.804,1114 16.905,1115 20.194,1116 0.009,1117 34.568,1118 17.098,1119 0.98,1120 2.423,1121 29.487,1122 2.172,1123 18.088,1124 21.59,1126 37.019,1127 18.296,1128 2728,1129 4580,1130 12.255,1131 24.006,1132 31.129,1133 32.908,1134 33.306,1135 30.352,1136 30.342,1137 39.639,1138 1.36,1139 91.432,1140 30.532,1141 5.542,1142 5.87,1143 6.824,1144 5.375,1145 5.323,1146 7.193,1147 1.36,1148 19.783,1149 5.372,1150 11.937,1151 1.556,1152 1.645,1153 1.665,1154 1.518,1155 1.517,1156 1.982,1157 0.068,1158 4.572,1159 1.527,1160 4.014,1161 4.033,1162 3.972,1163 3.939,1164 7.436,1165 3.944,1166 3.826,1167 3.859,1168 3.768,1169 3.729,1170 7.418,1171 3.733,1172 3.45,1173 3.514,1174 3.315,1175 3.341,1176 4.898,1177 3.327,1178 3.275,1179 3.348,1180 3.138,1181 3.106,1182 4.385,1183 3.094,1184 3.125,1185 3.207,1186 2.947,1187 2.913,1188 4.132,1189 2.906,1190 2.899,1191 2.97,1192 2.644,1193 2.638,1194 3.894,1195 2.628,1196 2.796,1197 2.868,1198 2.628,1199 2.63,1200 3.788,1201 2.616,1202 2.789,1203 2.824,1204 2.572,1205 2.483,1206 3.68,1207 2.495,1208 0.234,1209 0.193,1210 0.351,1211 0.217,1212 0.166,1213 4.674,1214 0.21,1215 3.87,1216 0.034,1217 7.023,1218 0.589,1219 4.339,1220 0.169,1221 3.323,1222 4.193,1223 0.68,1224 11.783,1225 3.372,1226 1.969,1227 1.952,1228 2.069,1229 2.064,1230 1.284,1231 2.065,1232 1.803,1233 1.773,1234 1.931,1235 1.926,1236 1.045,1237 1.928,1238 1.47,1239 1.412,1240 1.725,1241 1.634,1242 0.81,1243 1.67,1244 1.288,1245 1.213,1246 1.627,1247 1.508,1248 0.704,1249 1.552,1250 1.134,1251 1.045,1252 1.536,1253 1.394,1254 0.593,1255 1.446,1256 0.864,1257 0.784,1258 1.215,1259 1.164,1260 0.295,1261 1.18,1262 0.805,1263 0.735,1264 1.098,1265 1.017,1266 0.164,1267 1.044,1268 0.675,1269 0.631,1270 0.968,1271 1,1273 0.959,1274 3.714,1276 5.056,1278 6.619,1280 8.279,1282 9.992,1284 7.107,1294 -0.117,1300 22.665,1301 50.63,1302 109.257,1303 135.323,1304 144.078,1305 150.833,1306 161.098,1307 45.205,1308 6.111,1309 47.03,1310 47.03,1311 12,1312 12.261,1313 3.459,1314 3,1315 33.348,1316 47,1317 49,1318 0.359,1319 143.756,1320 259.84,1321 342.525,1322 2644,1324 14.154,1325 0.745,1326 0.613,1327 14.154,1328 11.65,1329 8.947,1330 0.447,1331 0.316,1332 6.278,1333 8.745,1334 5.917,1335 4.999,1336 8.947,1337 6.323,1338 8.13,1339 0.28,1340 0.171,1341 8.13,1342 4.955,1343 7.532,1344 0.188,1345 0.096,1346 7.532,1347 3.85,1348 5.548,1349 0.116,1350 0.051,1351 5.548,1352 2.437,1353 3.932,1354 0.07,1355 0.026,1356 3.932,1357 1.48,1358 0.528,1359 55.338,1360 0.286,1361 18.384,1362 1.1,1363 98,1364 285.116,1365 103.595,1366 278.482,1367 372.73,1368 258,1369 118,1370 264.385,1371 124.15,1372 273.032,1373 397.05,1374 255,1375 6.143} {0 CHEMBL90996,1 1.383,2 7.05,3 3.239,4 10.494,5 80.146,6 6.907,7 0.286,8 3.71,9 3.827,10 3.203,11 3.31,12 4.816,13 3.256,14 4.247,15 4.439,16 3.557,17 3.688,18 5.259,19 3.618,20 4.462,21 4.63,22 3.771,23 3.88,24 5.59,25 3.816,26 4.688,27 4.865,28 3.757,29 3.959,30 5.873,31 3.872,32 4.777,33 4.99,34 3.672,35 3.948,36 6,37 3.829,38 4.72,39 4.975,40 3.44,41 3.815,42 5.789,43 3.656,44 4.572,45 4.879,46 2.999,47 3.513,48 5.531,49 3.3,50 4.09,51 4.427,52 2.231,53 2.974,54 4.878,55 2.702,56 0.016,57 0.505,58 8.179,59 3.926,60 5.454,61 5.202,62 0.074,63 0.821,64 15.053,65 6.481,66 12.962,67 8.85,68 0.073,69 1.001,70 18.608,71 8.076,72 18.765,73 10.748,74 0.251,75 1.185,76 24.513,77 9.492,78 57.706,79 12.344,80 0.418,81 1.264,82 27.61,83 10.175,84 97.402,85 13.613,86 0.305,87 1.199,88 26.264,89 9.616,90 64.35,91 13.472,92 0.304,93 0.992,94 23.437,95 8.153,96 60.663,97 11.818,98 0.142,99 0.609,100 14.454,101 5.065,102 30.415,103 7.563,104 38,105 30,106 0.249,107 0.548,108 0.708,109 0.748,110 0.779,111 0.827,112 3.06,113 0.98,114 -3.72,115 -3.69,116 -3.51,118 43.6,119 4,120 1,121 1,134 4,140 2,141 1,143 2,152 2,168 11,172 6,180 12,186 10,194 15,198 8,206 15,209 1,210 6,218 12,221 1,222 5,229 8,233 1,234 3,242 4,247 1,255 1,270 476,271 13.096,272 13.096,273 13.096,274 13.096,275 13.096,276 11.56,277 9.702,278 7.464,279 13.113,280 10.167,281 10.167,282 10.167,283 10.167,284 10.167,285 7.852,286 12.297,287 3.353,288 10.148,289 3.902,290 2.24,291 1.354,292 1.129,293 0.956,294 0.693,295 3.705,298 1,299 1,300 1,301 286,302 2.739,306 133.886,313 0.865,314 23.962,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42.5,326 141,327 4.678,328 3.873,329 7.047,330 4.348,331 3.333,332 4.196,333 0.68,334 11.938,335 3.38,336 4.114,337 3.425,338 6.347,339 3.816,340 2.812,341 3.569,343 9.392,344 2.822,345 3.74,346 3.154,347 5.791,348 3.344,349 2.303,350 3.125,352 7.292,353 2.392,354 3.618,355 2.473,356 5.648,357 3.236,358 2.238,359 2.805,361 7.08,362 2.23,363 3.043,364 2.133,365 4.461,366 2.657,367 1.675,368 2.203,370 4.03,371 1.642,372 2.5,373 1.778,374 3.632,375 2.117,376 1.13,377 1.5,379 2.587,380 1.113,381 2.48,382 1.244,383 3.618,384 1.956,385 1,386 1.414,388 2.136,389 0.953,390 2.288,391 1.179,392 3.374,393 1.7,394 0.618,395 0.91,397 1.464,398 0.661,399 1.543,400 1,401 3.247,402 1.513,403 0.501,404 0.519,406 1.046,407 0.507,408 1.356,409 0.734,410 2.474,411 1.125,412 0.083,413 0.095,415 0.143,416 0.086,417 0.918,418 -0.018,419 2.264,420 0.614,421 -0.409,422 -0.504,424 -0.892,425 -0.415,426 0.5,427 -0.51,428 2,429 0.056,430 -0.925,431 -1.191,433 -1.923,434 -0.901,435 0.447,436 -0.628,437 1.738,438 -0.027,439 -1,440 -1.492,442 -2.347,443 -0.976,445 -0.857,446 1.555,447 -0.206,448 -1.259,449 -1.5,451 -3.049,452 -1.293,454 -1,455 1.382,456 -0.253,457 -1.303,458 -1.605,460 -3.292,461 -1.39,462 9.567,463 0.478,464 0.601,465 0.03,466 23.5,467 1.175,468 12,469 0.6,470 11.5,471 0.575,472 18.351,473 0.918,474 21.633,475 0.555,476 16.581,477 0.829,478 4.521,479 0.226,480 4.964,481 0.248,482 0.279,484 0.418,487 0.519,488 1.173,489 0.842,490 1.098,491 0.534,492 1.025,493 0.593,494 0.894,495 0.707,496 0.859,497 0.558,498 0.802,499 0.796,500 1.119,501 0.841,502 1.106,503 0.818,504 0.998,505 1.584,506 1.159,507 1.241,508 1.175,509 1.651,510 1.171,511 1.441,512 1.081,513 1.219,514 1.083,515 1.465,516 1.122,517 1.057,518 1.074,519 1.108,520 1.074,521 1.047,522 1.095,523 0.928,524 0.865,525 0.963,526 0.873,527 0.922,528 0.915,529 0.667,530 0.863,531 0.929,532 0.886,533 0.601,534 0.927,535 3.5,537 3.111,538 2.188,539 1.818,540 0.861,541 0.488,542 0.212,543 0.078,544 0.016,545 2905,546 7650,547 1.911,548 48.7,549 15,550 2,552 2,558 1.628,559 1.714,560 2.802,561 -0.836,563 1,565 1,567 53.933,568 1.383,569 3.045,570 3.932,571 4.156,572 4.329,573 4.593,574 2.159,575 3.584,576 4.297,577 2.882,578 547.541,579 7.391,580 5454.21,581 1,582 1,583 1,584 1,585 206.131,586 1.571,587 4.201,588 0.167,590 0.104,591 0.061,592 0.055,593 0.03,594 0.022,595 0.016,596 0.016,597 0.016,598 0.486,599 1,600 1,601 0.953,602 85.668,603 0.004,604 -0.046,605 0.027,606 -0.003,607 -0.032,608 0.01,609 0.038,610 0.161,611 0.211,612 0.177,613 0.035,614 0.213,615 0.04,616 -0.077,617 0.087,618 -0.064,619 0.038,620 0.007,621 -0.198,622 -0.157,623 -0.249,624 -0.182,625 -0.191,626 -0.217,627 -0.073,628 -0.112,629 -0.213,630 -0.117,631 -0.037,632 -0.175,633 -0.028,634 -0.116,635 -0.121,636 -0.125,637 -0.03,638 -0.136,639 0.026,640 0.041,641 0.041,642 0.046,643 0.001,644 0.044,645 0.009,646 0.029,647 0.055,648 0.027,649 0.008,650 0.046,651 1.681,652 5.577,653 0.6,654 11.24,655 0.993,656 1.119,657 2.491,658 6.204,659 0.661,660 3.091,661 3.434,662 3.761,663 3.97,664 4.143,665 4.078,666 3.97,667 3.85,668 3.664,669 3.367,670 4.321,671 0.62,672 269.37,673 3.091,674 4.635,675 5.509,676 6.402,677 7.296,678 8.196,679 9.096,680 9.999,681 10.902,682 11.806,683 2.6,693 1,699 4,700 1,704 1,706 6,724 39,726 10,728 21,730 40,731 17,733 5,736 6,739 2,740 2,745 4,751 1,753 11,754 6,755 1,756 4,761 2,765 6,768 1,769 1,772 19,773 3,775 3,779 1,784 1,785 2,795 1,802 2,814 2,823 4,832 2,836 4,840 20,846 1,850 1,862 5.1,865 2,869 11.667,870 8.45,871 4.556,872 2.564,874 1.795,875 1.29,876 0.934,877 3.99,878 7.982,879 3.367,880 3.942,881 4.519,882 4.957,883 5.385,884 5.442,885 5.575,886 5.751,887 5.911,888 5.936,889 0.8,890 36,891 7.449,893 3.135,894 7.875,895 14.095,897 11.367,899 2.375,900 47.5,901 0.001,904 223.651,905 101.078,906 16.786,908 50.29,911 101.078,912 273.941,913 16.786,914 35.301,915 2.535,916 18.952,917 100.885,918 34.023,920 200.109,922 223.651,923 117.863,924 50.29,927 223.651,928 50.29,931 55.93,932 45.147,933 16.786,935 223.651,936 67.075,937 101.078,940 223.651,941 28.729,942 72.348,944 67.075,945 223.651,946 67.075,947 101.078,949 0.588,950 0.382,951 0.202,952 0.106,953 14,954 8,955 0.075,956 3,958 1,959 2.955,960 151.874,962 12,963 86.439,968 14.397,969 5.543,970 2.396,972 67.075,973 7.296,974 4.121,978 0.984,981 391.804,982 28,987 24.837,991 2.326,994 38.709,995 43.654,996 0.262,997 0.576,998 0.744,999 0.786,1000 0.819,1001 0.869,1002 4.62,1003 0.618,1004 5.533,1005 2.136,1006 4.111,1007 4.625,1008 0.655,1009 6.425,1010 4.124,1011 5.856,1012 0.501,1013 7.163,1014 1.464,1015 3.892,1016 4.527,1018 7.522,1019 3.94,1020 7.196,1021 0.083,1022 8.899,1023 1.046,1024 5.784,1025 6.806,1026 0.356,1027 10.686,1028 5.82,1029 8.575,1030 -0.409,1031 10.692,1032 0.143,1033 6.382,1034 7.499,1036 12.565,1037 6.455,1038 9.987,1039 -0.925,1040 12.519,1041 -0.892,1042 7.789,1043 9.277,1044 0.18,1045 15.287,1046 7.853,1047 11.422,1048 -1,1049 14.37,1050 -1.923,1051 8.726,1052 10.323,1054 17.489,1055 8.821,1056 12.874,1057 -1.259,1058 16.237,1059 -2.347,1060 9.975,1061 11.904,1062 0.087,1063 20.059,1064 10.07,1065 3.333,1066 -1.303,1067 18.116,1068 -3.049,1069 11.057,1070 13.129,1072 22.408,1073 11.175,1074 2.812,1075 11.938,1076 20.005,1077 -3.292,1078 12.258,1079 14.623,1080 0.041,1081 24.92,1082 12.384,1083 2.303,1084 9.392,1085 21.902,1086 4.196,1087 13.402,1088 15.942,1090 27.337,1091 13.546,1092 2.238,1093 7.292,1094 23.806,1095 3.569,1096 14.592,1097 17.397,1098 0.019,1099 29.826,1100 14.747,1101 1.675,1102 7.08,1103 25.716,1104 3.125,1105 15.763,1106 18.766,1108 32.275,1109 15.935,1110 1.13,1111 4.03,1112 27.63,1113 2.805,1114 16.953,1115 20.204,1116 0.009,1117 34.757,1118 17.138,1119 1,1120 2.587,1121 29.55,1122 2.203,1123 18.137,1124 21.601,1126 37.221,1127 18.338,1128 3061,1129 5032,1130 12.948,1131 25.767,1132 32.051,1133 34.18,1134 34.903,1135 31.433,1136 31.386,1137 40.673,1138 1.36,1139 94.211,1140 31.575,1141 5.553,1142 5.873,1143 6.849,1144 5.383,1145 5.333,1146 7.196,1147 1.36,1148 19.938,1149 5.38,1150 12.495,1151 1.526,1152 1.628,1153 1.662,1154 1.497,1155 1.495,1156 1.937,1157 0.065,1158 4.486,1159 1.504,1160 4.02,1161 4.04,1162 3.976,1163 3.946,1164 7.436,1165 3.95,1166 3.828,1167 3.86,1168 3.77,1169 3.732,1170 7.418,1171 3.736,1172 3.517,1173 3.586,1174 3.368,1175 3.393,1176 4.896,1177 3.379,1178 3.345,1179 3.42,1180 3.174,1181 3.203,1182 4.384,1183 3.183,1184 3.164,1185 3.226,1186 3.044,1187 2.953,1188 4.147,1189 2.957,1190 2.972,1191 3.065,1192 2.731,1193 2.794,1194 3.965,1195 2.767,1196 2.845,1197 2.906,1198 2.643,1199 2.635,1200 3.81,1201 2.628,1202 2.796,1203 2.84,1204 2.609,1205 2.514,1206 3.683,1207 2.526,1208 0.223,1209 0.184,1210 0.336,1211 0.207,1212 0.159,1213 4.678,1214 0.2,1215 3.873,1216 0.032,1217 7.047,1218 0.568,1219 4.348,1220 0.161,1221 3.333,1222 4.196,1223 0.68,1224 11.938,1225 3.38,1226 1.974,1227 1.957,1228 2.078,1229 2.069,1230 1.335,1231 2.072,1232 1.805,1233 1.775,1234 1.935,1235 1.928,1236 1.076,1237 1.93,1238 1.536,1239 1.473,1240 1.8,1241 1.714,1242 0.873,1243 1.749,1244 1.372,1245 1.301,1246 1.682,1247 1.564,1248 0.789,1249 1.609,1250 1.149,1251 1.073,1252 1.538,1253 1.404,1254 0.596,1255 1.451,1256 0.998,1257 0.911,1258 1.34,1259 1.239,1260 0.47,1261 1.276,1262 0.823,1263 0.758,1264 1.12,1265 1.075,1266 0.184,1267 1.093,1268 0.71,1269 0.637,1270 1.024,1271 1.002,1272 0.095,1273 0.998,1274 3.761,1276 5.094,1278 6.653,1280 8.315,1282 10.03,1284 7.236,1290 0.768,1294 -0.066,1300 24.192,1301 53.933,1302 118.772,1303 153.337,1304 162.092,1305 168.846,1306 179.111,1307 49.814,1308 6.186,1309 47.03,1310 47.03,1311 12,1312 12.326,1313 3.459,1314 3,1315 35.973,1316 50,1317 52,1318 0.363,1319 153.348,1320 277.14,1321 365.93,1322 2843,1324 14.861,1325 0.743,1326 0.618,1327 14.861,1328 12.358,1329 9.485,1330 0.452,1331 0.327,1332 6.816,1333 9.283,1334 6.454,1335 5.462,1336 9.485,1337 6.861,1338 8.343,1339 0.278,1340 0.173,1341 8.343,1342 5.194,1343 7.753,1344 0.185,1345 0.097,1346 7.753,1347 4.076,1348 5.878,1349 0.113,1350 0.052,1351 5.878,1352 2.725,1353 4.425,1354 0.071,1355 0.028,1356 4.425,1357 1.767,1358 0.532,1359 58.566,1360 0.278,1361 19.17,1362 1.125,1363 102,1364 289.116,1365 107.595,1366 282.449,1367 379.03,1368 262,1369 123,1370 269.385,1371 129.15,1372 277.831,1373 405.46,1374 260,1375 6.081} {0 CHEMBL91,1 1.738,2 9.48,3 5.646,4 31.872,5 103.068,6 10.67,7 0.63,8 3.777,9 3.858,10 3.65,11 3.444,12 4.924,13 3.41,14 4.288,15 4.409,16 4.062,17 3.837,18 5.437,19 3.782,20 4.513,21 4.654,22 4.139,23 3.964,24 5.603,25 3.852,26 4.575,27 4.742,28 4.275,29 3.891,30 5.729,31 3.776,32 4.499,33 4.701,34 3.883,35 3.787,36 5.472,37 3.696,38 4.474,39 4.632,40 4.08,41 3.934,42 5.584,43 3.828,44 4.555,45 4.743,46 4.136,47 3.98,48 5.653,49 3.852,50 4.428,51 4.604,52 4.191,53 3.901,54 5.616,55 3.754,56 0.086,57 0.485,58 2.63,59 2.856,60 6.799,61 3.438,62 0.296,63 0.797,64 7.935,65 5.178,66 17.14,67 5.572,68 0.44,69 0.885,70 20.627,71 7.848,72 32.733,73 8.971,74 0.715,75 0.919,76 36.408,77 9.274,78 57.361,79 10.249,80 0.573,81 0.936,82 25.498,83 8.321,84 41.716,85 9.341,86 0.488,87 0.898,88 22.468,89 7.672,90 36.415,91 9.066,92 0.481,93 0.978,94 26.607,95 8.585,96 37.463,97 10.542,98 0.432,99 0.812,100 28.138,101 7.897,102 36.416,103 9.468,104 17,105 37,106 0.309,107 0.603,108 0.768,109 0.848,110 0.884,111 0.912,112 3.267,113 1,114 -6.13,115 -5.98,116 -5.56,118 46.2,124 2,126 1,140 6,141 2,142 4,143 1,149 1,156 1,168 4,171 1,172 2,180 14,185 1,186 3,194 6,198 7,206 7,209 1,210 5,218 2,222 4,229 7,234 8,242 6,247 1,255 11,259 5,267 2,270 1044,271 16.654,272 16.654,273 16.654,274 16.654,275 16.654,276 14.4,277 16.214,278 9.862,279 17.437,280 13.315,281 13.315,282 13.315,283 13.315,284 13.315,285 10.089,286 15.551,287 4.704,288 14.774,289 3.548,290 1.888,291 0.962,292 0.513,293 0.308,294 0.154,295 3.944,297 4,300 1,301 502,302 3.082,305 78.427,306 182.906,313 1.222,314 23.57,317 0.75,318 0.83,319 1,320 0.6,321 0.5,322 1,323 1,324 0.81,325 53.333,326 237,327 4.324,328 3.461,329 6.469,330 3.971,331 3.03,332 3.931,333 1.307,334 10.033,335 2.832,336 4.226,337 3.266,338 6.057,339 3.777,340 2.846,341 3.877,342 0.447,343 8.7,344 2.615,345 3.928,346 2.938,347 5.462,348 3.462,349 2.554,350 3.483,352 7.252,353 2.307,354 3.575,355 2.753,356 5.14,357 3.152,358 2.264,359 2.88,361 6.283,362 1.953,363 3.459,364 2.643,365 4.96,366 2.994,367 2.117,368 2.773,370 5.817,371 1.774,372 3.051,373 2.462,374 4.706,375 2.631,376 1.792,377 2.178,379 4.88,380 1.423,381 2.848,382 2.09,383 4.181,384 2.373,385 1.479,386 1.979,388 3.779,389 1.244,390 2.7,391 1.542,392 3.956,393 2.236,394 1.291,395 1.774,397 3.233,398 1.185,399 2.489,400 1.315,401 3.437,402 2.038,403 1.128,404 1.485,406 2.539,407 1.015,408 2.118,409 1.005,410 3.166,411 1.557,412 0.656,413 0.927,415 1.537,416 0.577,417 1.847,418 0.618,419 3,420 1.55,421 0.618,422 0.759,424 1.372,425 0.558,426 1.256,427 0.591,428 2.65,429 0.827,435 1.137,436 0.309,437 2.526,438 0.781,439 -0.09,440 -0.107,442 -0.224,443 -0.069,444 0.797,445 0.256,446 2.359,447 0.278,448 -0.514,449 -0.621,451 -1.242,452 -0.293,453 0.796,454 0.256,455 2.359,456 0.27,457 -0.515,458 -0.621,460 -1.242,461 -0.293,462 12.99,463 0.52,464 0.647,465 0.026,466 32.25,467 1.29,468 16,469 0.64,470 16.25,471 0.65,472 21.682,473 0.867,474 26.01,475 0.667,476 21.801,477 0.872,478 6.452,479 0.258,480 5.573,481 0.223,482 0.22,484 0.3,487 0.666,488 1.289,489 0.475,490 0.781,491 0.6,492 0.767,493 1.053,494 0.95,495 0.622,496 0.67,497 0.757,498 0.768,499 1.135,500 1.086,501 1.027,502 1.085,503 1.082,504 1.121,505 1.05,506 1.092,507 0.92,508 1.151,509 0.923,510 1.1,511 1.099,512 0.826,513 0.705,514 0.762,515 0.896,516 0.817,517 0.758,518 1.077,519 0.919,520 1.062,521 0.829,522 1.059,523 0.701,524 1.006,525 0.915,526 0.986,527 0.872,528 1.002,529 0.909,530 0.987,531 1.057,532 0.94,533 0.993,534 0.976,535 5.5,536 0.071,537 2.889,538 1.722,539 1.142,540 0.715,541 0.522,542 0.517,543 0.284,544 0.284,545 6774,546 27241,547 2.038,548 35.9,550 11,551 1,552 2,558 1.686,559 1.899,560 3.182,561 -0.711,567 67.769,568 1.738,569 3.397,570 4.324,571 4.773,572 4.978,573 5.132,574 2.549,575 4.484,576 4.616,577 3.345,578 1003.49,579 8.016,580 12400.1,585 206.131,586 1.44,587 4.569,588 0.204,589 0.006,590 0.078,591 0.049,592 0.036,593 0.023,594 0.015,595 0.015,596 0.009,597 0.014,598 0.449,599 0.5,600 0.88,601 0.609,602 119.974,603 -0.036,604 -0.209,605 0.004,606 -0.065,607 -0.054,608 -0.025,609 -0.166,610 0.146,611 -0.01,612 0.134,613 -0.043,614 0.035,615 -0.137,616 -0.13,617 -0.142,618 -0.148,619 -0.155,620 -0.191,621 0.12,622 -0.166,623 0.073,624 -0.135,625 0.143,626 -0.097,627 -0.079,628 0.19,629 0.034,630 0.21,631 -0.068,632 0.187,633 0.053,634 -0.088,635 -0.084,636 -0.141,637 -0.009,638 -0.11,639 0.042,640 0.007,641 -0.016,642 -0.027,643 -0.031,644 0.002,645 -0.042,646 -0.031,647 0.029,648 0.071,649 0.01,650 0.047,651 1.62,652 2.625,653 0.68,654 19.85,655 1.023,656 1.11,657 4.9,658 24.014,659 0.769,660 3.332,661 3.638,662 3.85,663 4.06,664 4.174,665 4.22,666 4.22,667 4.344,668 4.382,669 4.407,670 5.821,671 0.725,672 416.14,673 3.332,674 4.86,675 5.687,676 6.547,677 7.388,678 8.251,679 9.098,680 9.962,681 10.812,682 11.678,683 5.1,691 1,693 1,699 9,700 1,704 6,705 1,706 17,723 4,724 39,726 17,727 2,728 27,730 41,731 18,733 15,734 6,735 6,739 3,740 3,741 4,751 1,753 15,754 3,772 14,773 2,775 7,776 4,778 1,779 2,784 1,785 1,801 1,802 2,831 1,832 3,837 4,840 25,846 2,848 1,850 1,861 4,862 2.6,866 1,869 13.167,870 6.971,871 5.5,872 2.148,874 2.17,875 1.324,876 0.98,877 6.387,878 8.868,879 3.597,880 4.193,881 4.699,882 5.189,883 5.531,884 5.583,885 5.644,886 6,887 6.352,888 6.689,889 1,890 35,891 9.167,893 3.833,894 7.791,895 17.302,897 13.913,899 2.291,900 57.278,904 164.795,905 110.643,906 18.685,907 156.595,908 11,911 110.643,912 332.39,913 18.685,915 6.698,916 65.905,917 59.946,918 31.32,919 11.771,920 129.482,921 156.595,922 164.795,923 129.327,924 11,925 156.595,927 164.795,929 11,931 26.263,932 86.278,933 173.38,935 164.795,936 29.685,937 267.237,940 164.795,941 27.072,942 85.47,944 184.38,945 164.795,946 29.685,947 267.237,949 0.581,950 0.33,951 0.173,952 0.085,953 17,954 8,955 0.146,956 6,958 1,959 3.683,960 200.754,962 17,963 116.096,968 18.705,969 8.537,970 4.972,972 27.785,973 16.022,974 4.065,978 3.993,979 1.93,981 461.717,982 35.5,994 39.895,995 43.304,996 0.329,997 0.643,998 0.818,999 0.903,1000 0.942,1001 0.971,1002 4.814,1003 1.291,1004 5.666,1005 3.779,1006 4.317,1007 4.879,1008 1.572,1009 6.431,1010 4.111,1011 6.017,1012 1.128,1013 7.201,1014 3.233,1015 3.892,1016 4.62,1018 7.235,1019 3.459,1020 7.311,1021 0.656,1022 8.832,1023 2.539,1024 5.872,1025 7.031,1026 1.935,1027 10.295,1028 5.517,1029 8.637,1030 0.618,1031 10.518,1032 1.537,1033 6.236,1034 7.559,1036 11.918,1037 5.691,1038 9.99,1040 12.241,1041 1.372,1042 7.688,1043 9.431,1044 2.398,1045 14.492,1046 7.195,1047 11.362,1048 -0.09,1049 13.989,1051 8.42,1052 10.334,1054 16.471,1055 7.774,1056 12.75,1057 -0.514,1058 15.756,1059 -0.224,1060 9.655,1061 11.964,1062 2.894,1063 18.869,1064 9.026,1065 3.03,1066 -0.515,1067 17.538,1068 -1.242,1069 10.567,1070 13.064,1072 21.013,1073 9.814,1074 2.846,1075 10.033,1076 19.332,1077 -1.242,1078 11.711,1079 14.571,1080 3.407,1081 23.343,1082 10.945,1083 2.554,1084 8.7,1085 21.135,1086 3.931,1087 12.71,1088 15.78,1090 25.565,1091 11.843,1092 2.264,1093 7.252,1094 22.947,1095 3.877,1096 13.817,1097 17.221,1098 3.929,1099 27.87,1100 12.916,1101 2.117,1102 6.283,1103 24.766,1104 3.483,1105 14.86,1106 18.492,1108 30.129,1109 13.872,1110 1.792,1111 5.817,1112 26.59,1113 2.88,1114 15.953,1115 19.897,1116 4.457,1117 32.426,1118 14.918,1119 1.479,1120 4.88,1121 28.42,1122 2.773,1123 17.018,1124 21.204,1126 34.704,1127 15.906,1128 6629,1129 13409,1130 17.8,1131 29.989,1132 40.203,1133 40.727,1134 40.77,1135 40.17,1136 39.55,1137 52.093,1138 3.509,1139 110.849,1140 34.968,1141 5.226,1142 5.461,1143 6.084,1144 5.055,1145 5.03,1146 6.931,1147 2.615,1148 16.817,1149 4.832,1150 12.744,1151 1.489,1152 1.508,1153 1.51,1154 1.488,1155 1.465,1156 1.929,1157 0.13,1158 4.106,1159 1.295,1160 4.003,1161 4.041,1162 4.119,1163 3.921,1164 5.047,1165 3.916,1166 3.9,1167 3.925,1168 4.074,1169 3.858,1170 5.001,1171 3.846,1172 3.85,1173 3.883,1174 3.851,1175 3.677,1176 4.945,1177 3.703,1178 3.388,1179 3.418,1180 3.608,1181 3.216,1182 4.65,1183 3.222,1184 3.101,1185 3.154,1186 3.589,1187 3.002,1188 4.626,1189 2.98,1190 2.88,1191 2.922,1192 3.339,1193 2.802,1194 4.491,1195 2.772,1196 2.878,1197 2.922,1198 3.134,1199 2.795,1200 4.094,1201 2.767,1202 2.768,1203 2.812,1204 2.922,1205 2.652,1206 3.999,1207 2.629,1208 0.16,1209 0.128,1210 0.24,1211 0.147,1212 0.112,1213 4.324,1214 0.146,1215 3.461,1216 0.048,1217 6.469,1218 0.372,1219 3.971,1220 0.105,1221 3.03,1222 3.931,1223 1.307,1224 10.033,1225 2.832,1226 1.922,1227 1.907,1228 1.995,1229 2.016,1230 1.232,1231 2.019,1232 1.879,1233 1.864,1234 1.941,1235 1.936,1236 1.122,1237 1.953,1238 1.587,1239 1.529,1240 1.741,1241 1.792,1242 0.921,1243 1.786,1244 1.31,1245 1.252,1246 1.493,1247 1.527,1248 0.598,1249 1.52,1250 1.206,1251 1.158,1252 1.41,1253 1.454,1254 0.49,1255 1.445,1256 1.015,1257 0.97,1258 1.232,1259 1.178,1260 0.303,1261 1.212,1262 0.868,1263 0.824,1264 1.099,1265 1.017,1266 0.169,1267 1.06,1268 0.868,1269 0.824,1270 1.097,1271 1.015,1272 0.168,1273 1.059,1274 4.007,1276 5.313,1277 2.398,1278 6.797,1279 4.443,1280 8.366,1281 6.26,1282 9.98,1285 24.539,1290 0.89,1292 6.125,1294 -0.286,1300 28.282,1301 67.769,1302 132.482,1303 168.621,1304 186.131,1305 194.131,1306 200.131,1307 42.809,1308 6.698,1309 27.05,1310 27.05,1311 17,1312 12.227,1313 4.17,1314 3.248,1315 41.456,1316 82,1317 93,1318 0.232,1319 188.75,1320 320.69,1321 452.309,1322 6020,1323 10.3,1324 17.811,1325 0.712,1326 0.641,1327 19.811,1328 16.026,1329 12.025,1330 0.445,1331 0.333,1332 7.528,1333 10.524,1334 7.233,1335 5.918,1336 13.18,1337 9.001,1338 10.939,1339 0.296,1340 0.193,1341 12.497,1342 7.148,1343 8.732,1344 0.19,1345 0.105,1346 9.941,1347 4.85,1348 7.155,1349 0.126,1350 0.06,1351 8.6,1352 3.412,1353 4.943,1354 0.077,1355 0.032,1356 5.68,1357 2.036,1358 0.358,1359 86.872,1360 0.237,1361 24.119,1362 0.656,1363 128,1364 407.839,1365 197.145,1366 513.955,1367 652.8,1368 476,1369 147,1370 373.926,1371 198.17,1372 420.267,1373 610.23,1374 393,1375 6.58} {0 CHEMBL91799,1 1.45,2 8.76,3 3.305,4 10.922,5 95.614,6 7.113,7 0.231,8 3.924,9 4.033,10 3.422,11 3.485,12 5.077,13 3.445,14 4.463,15 4.641,16 3.769,17 3.868,18 5.615,19 3.803,20 4.73,21 4.913,22 3.923,23 4.058,24 5.847,25 3.986,26 4.911,27 5.104,28 3.925,29 4.133,30 6.058,31 4.042,32 4.985,33 5.199,34 3.912,35 4.157,36 6.161,37 4.049,38 4.963,39 5.192,40 3.863,41 4.135,42 6.032,43 4.012,44 4.966,45 5.224,46 3.748,47 4.04,48 6.021,49 3.903,50 4.795,51 5.058,52 3.544,53 3.801,54 5.891,55 3.668,56 0.028,57 0.623,58 9.934,59 4.868,60 12.474,61 6.183,62 0.185,63 1.007,64 18.507,65 8.029,66 47.486,67 10.75,68 0.186,69 1.261,70 24.762,71 10.303,72 54.45,73 13.575,74 0.379,75 1.443,76 30.85,77 11.742,78 97.086,79 15.393,80 0.555,81 1.529,82 34.01,83 12.436,84 135.353,85 16.682,86 0.395,87 1.53,88 32.971,89 12.323,90 92.916,91 17.017,92 0.444,93 1.486,94 34.097,95 11.875,96 95.725,97 16.823,98 0.319,99 1.217,100 28.987,101 9.79,102 73.952,103 13.875,104 55,105 36,106 0.249,107 0.56,108 0.731,109 0.796,110 0.82,111 0.857,112 3.268,113 0.973,114 -3.56,115 -3.53,116 -3.37,118 41.7,119 3,120 4,121 1,134 4,140 2,141 1,143 2,152 2,154 1,163 1,167 1,168 13,169 1,172 7,175 1,177 1,180 14,181 1,186 11,191 1,194 17,195 1,198 9,203 1,206 18,207 1,209 1,210 7,215 1,218 16,219 1,221 1,222 8,227 1,229 13,230 2,233 1,234 8,239 2,242 9,243 2,247 4,248 2,252 2,255 4,256 3,258 2,259 3,260 1,262 2,264 3,267 1,268 2,270 1032,271 16.209,272 16.209,273 16.209,274 16.209,275 16.209,276 14.466,277 12.845,278 9.567,279 16.231,280 12.723,281 12.723,282 12.723,283 12.723,284 12.723,285 10.087,286 14.189,287 4.488,288 12.709,289 4.135,290 2.319,291 1.324,292 0.943,293 0.803,294 0.589,295 3.922,298 1,299 1,300 1,301 441,302 3.674,306 182.244,313 1.168,314 38.012,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 54.5,326 219,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 2.341,334 11.949,335 3.381,336 4.117,337 3.596,338 6.35,339 3.822,340 2.818,341 3.57,342 0.68,343 9.419,344 2.828,345 3.74,346 3.426,347 5.791,348 3.344,349 2.303,350 3.125,352 7.292,353 2.393,354 3.618,355 3.158,356 5.65,357 3.238,358 2.239,359 2.806,361 7.085,362 2.23,363 3.55,364 2.473,365 4.661,366 3.235,367 2.231,368 2.71,370 5.186,371 2.219,372 3.063,373 2.135,374 4.49,375 2.73,376 1.74,377 2.216,379 4.257,380 1.719,381 2.633,382 1.829,383 3.674,384 2.394,385 1.409,386 1.64,388 2.951,389 1.383,390 2.5,391 1.575,392 3.618,393 1.987,394 1,395 1.5,397 2.363,398 0.983,399 2.392,400 1.227,401 3.563,402 1.954,403 0.985,404 1.177,406 2.136,407 0.951,408 2.142,409 1.177,410 3.247,411 1.697,412 0.618,413 0.885,415 1.464,416 0.66,417 1.535,418 1,419 3.206,420 1.472,421 0.457,422 0.483,424 1.08,425 0.462,426 1.392,427 0.882,428 2.58,429 1.172,430 0.14,431 0.158,433 0.302,434 0.143,435 1.006,436 0.457,437 2.273,438 0.718,439 -0.323,440 -0.387,442 -0.763,443 -0.333,444 0.65,445 0.143,446 2,447 0.301,448 -0.688,449 -0.799,451 -1.545,452 -0.665,453 0.5,454 -0.403,455 1.875,456 0.011,457 -1,458 -1.234,460 -2,461 -0.952,462 11.733,463 0.469,464 0.745,465 0.03,466 28,467 1.12,468 13.5,469 0.54,470 14.5,471 0.58,472 24.92,473 0.997,474 27.867,475 0.581,476 22.003,477 0.88,478 5.419,479 0.217,480 6.422,481 0.257,482 0.241,484 0.384,487 0.634,488 1.18,489 0.835,490 1.113,491 0.609,492 1.028,493 0.467,494 1.017,495 0.752,496 0.999,497 0.454,498 0.935,499 0.821,500 1.089,501 0.912,502 1.087,503 0.838,504 1.029,505 1.165,506 1.094,507 1.147,508 1.111,509 1.222,510 1.125,511 1.077,512 1.009,513 1.11,514 1.012,515 1.117,516 1.061,517 0.83,518 1.098,519 1.035,520 1.083,521 0.854,522 1.096,523 0.84,524 0.991,525 0.974,526 0.986,527 0.843,528 0.998,529 0.924,530 1.051,531 0.963,532 1.049,533 0.896,534 1.012,535 4.5,536 0.082,537 3.333,538 2.313,539 1.898,540 0.972,541 0.692,542 0.517,543 0.366,544 0.196,545 5694,546 17926,547 1.906,548 47.9,549 16,550 2,552 2,553 1,554 2,558 1.689,559 1.724,560 3.07,561 -0.356,562 1,563 1,567 69.598,568 1.45,569 3.266,570 4.261,571 4.642,572 4.782,573 4.996,574 2.469,575 3.974,576 4.61,577 3.266,578 979.781,579 8.026,580 11766.6,582 1,584 1,585 268.078,586 1.575,587 4.531,588 0.173,589 0.009,590 0.093,591 0.056,592 0.049,593 0.026,594 0.019,595 0.017,596 0.015,597 0.011,598 0.467,599 0.33,600 1,601 1.629,602 118.524,603 -0.038,604 -0.005,605 0.005,606 0.032,607 -0.04,608 0.026,609 0.141,610 0.072,611 0.134,612 0.075,613 0.138,614 0.102,615 -0.041,616 -0.044,617 0.004,618 -0.034,619 -0.034,620 -0.01,621 -0.158,622 -0.083,623 -0.188,624 -0.098,625 -0.153,626 -0.141,627 -0.082,628 -0.022,629 -0.138,630 -0.02,631 -0.069,632 -0.08,633 -0.035,634 -0.1,635 -0.087,636 -0.09,637 -0.057,638 -0.1,639 -0.016,640 -0.023,641 -0.001,642 -0.031,643 -0.033,644 -0.016,645 -0.026,646 -0.105,647 0.028,648 -0.109,649 -0.022,650 -0.039,651 2.494,652 5.865,653 0.48,654 20.474,655 1.003,656 1.123,657 2.327,658 5.416,659 0.65,660 3.296,661 3.611,662 3.871,663 4.078,664 4.277,665 4.29,666 4.29,667 4.29,668 4.234,669 4.007,670 5.497,671 0.618,672 341.44,673 3.296,674 4.828,675 5.673,676 6.55,677 7.424,678 8.313,679 9.2,680 10.097,681 10.992,682 11.893,683 2.1,693 1,699 4,700 1,704 1,706 6,724 48,726 11,728 26,730 49,731 20,733 5,736 6,739 2,740 2,745 3,751 4,753 12,754 8,755 1,756 5,761 3,765 7,768 1,769 1,772 23,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,814 2,818 1,823 4,830 1,832 2,836 3,840 25,845 1,846 4,850 1,862 8.3,864 1,865 3,869 14.5,870 9.567,871 5.639,872 3.031,874 1.653,875 1.254,876 0.907,877 6.168,878 8.169,879 3.555,880 4.086,881 4.582,882 5.005,883 5.439,884 5.535,885 5.713,886 5.94,887 6.15,888 6.184,889 0.833,890 41,891 9.332,893 3.961,894 8.087,895 17.398,897 14.031,899 2.587,900 64.667,903 1,904 258.964,905 100.766,906 16.786,908 118.118,911 100.766,912 377.082,913 16.786,914 26.476,915 10.138,916 18.952,917 169.623,918 34.023,920 235.422,922 258.964,923 117.551,924 118.118,927 258.964,928 118.118,931 54.709,932 46.057,933 16.786,935 258.964,936 134.904,937 100.766,940 258.964,941 37.243,942 63.523,944 134.904,945 258.964,946 134.904,947 100.766,949 0.581,950 0.343,951 0.175,952 0.095,953 15,954 9,955 0.143,956 7,958 1,959 3.444,960 200.854,962 12,963 116.096,968 18.955,969 8.135,970 4.182,972 134.904,973 7.071,974 4.135,978 0.876,980 42.683,981 494.634,982 34,987 36.068,991 0.989,994 48.131,995 53.903,996 0.26,997 0.585,998 0.763,999 0.831,1000 0.856,1001 0.895,1002 4.8,1003 1,1004 5.68,1005 2.951,1006 4.29,1007 4.771,1008 2.35,1009 6.526,1010 4.301,1011 6.014,1012 0.985,1013 7.277,1014 2.363,1015 4.007,1016 4.649,1017 2.243,1018 7.561,1019 4.046,1020 7.336,1021 0.618,1022 8.984,1023 2.136,1024 5.911,1025 6.891,1026 3.64,1027 10.72,1028 5.941,1029 8.695,1030 0.457,1031 10.755,1032 1.464,1033 6.447,1034 7.563,1035 4.112,1036 12.579,1037 6.513,1038 10.088,1039 0.14,1040 12.565,1041 1.08,1042 7.865,1043 9.322,1044 5.203,1045 15.301,1046 7.924,1047 11.505,1048 -0.323,1049 14.404,1050 0.302,1051 8.764,1052 10.355,1053 5.889,1054 17.499,1055 8.853,1056 12.943,1057 -0.688,1058 16.261,1059 -0.763,1060 10.018,1061 11.927,1062 6.849,1063 20.07,1064 10.108,1065 3.334,1066 -1,1067 18.134,1068 -1.545,1069 11.08,1070 13.145,1071 7.625,1072 22.419,1073 11.195,1074 2.818,1075 11.949,1076 20.019,1077 -2,1078 12.282,1079 14.634,1080 8.526,1081 24.931,1082 12.404,1083 2.303,1084 9.419,1085 21.913,1086 4.196,1087 13.417,1088 15.949,1089 9.342,1090 27.349,1091 13.558,1092 2.239,1093 7.292,1094 23.814,1095 3.57,1096 14.606,1097 17.402,1098 10.216,1099 29.839,1100 14.759,1101 2.231,1102 7.085,1103 25.722,1104 3.125,1105 15.774,1106 18.77,1107 11.051,1108 32.289,1109 15.944,1110 1.74,1111 5.186,1112 27.636,1113 2.806,1114 16.963,1115 20.207,1116 11.912,1117 34.771,1118 17.147,1119 1.409,1120 4.257,1121 29.555,1122 2.71,1123 18.146,1124 21.603,1125 12.755,1126 37.236,1127 18.346,1128 5941,1129 10600,1130 16.126,1131 31.199,1132 39.335,1133 41.492,1134 41.676,1135 38.603,1136 38.547,1137 48.928,1138 6.042,1139 110.966,1140 38.702,1141 5.616,1142 5.873,1143 6.85,1144 5.384,1145 5.334,1146 7.196,1147 3.925,1148 19.949,1149 5.381,1150 16.459,1151 1.513,1152 1.596,1153 1.603,1154 1.485,1155 1.483,1156 1.882,1157 0.232,1158 4.268,1159 1.489,1160 4.026,1161 4.046,1162 3.98,1163 3.951,1164 7.474,1165 3.955,1166 3.831,1167 3.862,1168 3.772,1169 3.734,1170 7.436,1171 3.739,1172 3.706,1173 3.754,1174 3.585,1175 3.561,1176 7.418,1177 3.554,1178 3.46,1179 3.507,1180 3.346,1181 3.327,1182 6.351,1183 3.321,1184 3.331,1185 3.386,1186 3.185,1187 3.148,1188 4.896,1189 3.149,1190 3.171,1191 3.226,1192 3.074,1193 2.951,1194 4.383,1195 2.963,1196 3.023,1197 3.097,1198 2.832,1199 2.819,1200 4.139,1201 2.81,1202 2.873,1203 2.929,1204 2.643,1205 2.635,1206 3.992,1207 2.628,1208 0.18,1209 0.149,1210 0.271,1211 0.167,1212 0.128,1213 4.678,1214 0.161,1215 3.873,1216 0.09,1217 7.048,1218 0.46,1219 4.349,1220 0.13,1221 3.334,1222 4.196,1223 2.341,1224 11.949,1225 3.381,1226 1.978,1227 1.96,1228 2.087,1229 2.074,1230 1.402,1231 2.077,1232 1.809,1233 1.779,1234 1.952,1235 1.932,1236 1.185,1237 1.936,1238 1.693,1239 1.642,1240 1.9,1241 1.868,1242 1.033,1243 1.882,1244 1.45,1245 1.399,1246 1.704,1247 1.628,1248 0.821,1249 1.65,1250 1.308,1251 1.253,1252 1.593,1253 1.54,1254 0.764,1255 1.557,1256 1.145,1257 1.072,1258 1.536,1259 1.404,1260 0.596,1261 1.449,1262 1.006,1263 0.94,1264 1.302,1265 1.275,1266 0.464,1267 1.284,1268 0.827,1269 0.762,1270 1.125,1271 1.123,1272 0.2,1273 1.123,1274 3.97,1276 5.283,1278 6.801,1280 8.424,1282 10.111,1284 5.07,1289 8.803,1290 1.903,1294 -0.248,1300 29.675,1301 69.598,1302 156.755,1303 204.529,1304 222.794,1305 229.549,1306 239.814,1307 84.438,1308 6.516,1309 84.33,1310 84.33,1311 12,1312 12.416,1313 3.585,1314 3.17,1315 51.126,1316 76,1317 98,1318 0.317,1319 187.191,1320 343.98,1321 448.505,1322 4346,1324 18.56,1325 0.742,1326 0.593,1327 18.56,1328 14.834,1329 11.841,1330 0.455,1331 0.324,1332 8.361,1333 11.49,1334 8.028,1335 6.719,1336 11.841,1337 8.436,1338 10.613,1339 0.295,1340 0.178,1341 10.613,1342 6.425,1343 8.85,1344 0.188,1345 0.102,1346 8.85,1347 4.802,1348 6.634,1349 0.114,1350 0.056,1351 6.634,1352 3.22,1353 5.072,1354 0.071,1355 0.031,1356 5.072,1357 2.203,1358 0.478,1359 73.856,1360 0.249,1361 23.801,1362 0.93,1363 124,1364 397.001,1365 134.023,1366 380.385,1367 494.57,1368 350,1369 145,1370 338.052,1371 153.808,1372 344.446,1373 497.3,1374 322,1375 7.051} {0 CHEMBL92083,1 1.531,2 8.909,3 2.117,4 4.483,5 83.032,6 8.036,7 0.261,8 3.69,9 3.779,10 3.294,11 3.28,12 4.974,13 3.268,14 4.162,15 4.304,16 3.641,17 3.629,18 5.518,19 3.604,20 4.371,21 4.5,22 3.76,23 3.783,24 5.687,25 3.752,26 4.558,27 4.725,28 3.696,29 3.794,30 5.866,31 3.741,32 4.532,33 4.709,34 3.672,35 3.734,36 5.929,37 3.682,38 4.464,39 4.644,40 3.676,41 3.631,42 5.99,43 3.591,44 4.445,45 4.669,46 3.379,47 3.423,48 5.938,49 3.354,50 4.059,51 4.308,52 2.724,53 3.04,54 5.211,55 2.914,56 0.069,57 0.465,58 6.166,59 3.475,60 14.638,61 3.955,62 0.223,63 0.734,64 11.646,65 5.547,66 45.715,67 6.79,68 0.198,69 0.882,70 14.105,71 6.858,72 42.621,73 7.987,74 0.434,75 1.012,76 19.782,77 7.935,78 94.255,79 9.196,80 0.497,81 0.968,82 20.011,83 7.865,84 114.489,85 9.387,86 0.49,87 0.916,88 18.438,89 7.219,90 98.82,91 9.031,92 0.683,93 0.867,94 20.857,95 6.699,96 133.827,97 8.487,98 0.36,99 0.594,100 14.507,101 4.673,102 70.876,103 5.995,104 40,105 32,106 0.276,107 0.651,108 0.804,109 0.853,110 0.882,111 0.882,112 3.147,113 0.876,114 -2.78,115 -2.8,116 -2.71,118 45.9,119 2,120 1,133 2,134 4,140 2,141 1,143 2,152 2,154 1,163 1,167 1,168 10,169 1,172 7,175 1,177 1,180 10,181 1,186 11,191 1,194 12,195 1,198 8,203 1,206 12,207 1,209 1,210 5,211 1,215 1,218 9,219 2,221 2,222 6,223 1,225 1,227 2,229 6,230 2,233 2,234 5,237 1,239 2,242 4,243 1,247 2,252 1,255 2,256 1,259 2,264 1,267 1,268 1,270 604,271 14.242,272 14.242,273 14.242,274 14.242,275 14.242,276 12.397,277 11.553,278 8.364,279 14.264,280 11.266,281 11.266,282 11.266,283 11.266,284 11.266,285 8.406,286 12.407,287 3.953,288 11.253,289 3.678,290 1.595,291 0.744,292 0.473,293 0.311,294 0.311,295 3.799,298 1,299 1,300 1,301 399,302 3.082,306 154.752,313 1.727,314 36.205,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 48.5,326 196,327 4.654,328 3.826,329 6.91,330 4.295,331 3.277,332 4.19,333 1.437,334 11.392,335 3.333,336 3.989,337 3.474,338 6.016,339 3.6,340 2.6,341 3.478,342 0.68,343 8.397,344 2.602,345 3.788,346 3.392,347 5.791,348 3.347,349 2.322,350 3.204,352 7.292,353 2.39,354 3.65,355 2.852,356 5.301,357 3.316,358 2.303,359 2.859,361 6.737,362 2.306,363 3.56,364 2.443,365 4.656,366 3.141,367 2.134,368 2.755,370 5.135,371 2.125,372 2.9,373 2.105,374 4,375 2.434,376 1.466,377 2.059,379 3.182,380 1.416,381 2.573,382 1.595,383 3.618,384 1.984,385 1,386 1.5,388 2.431,389 0.976,390 2.5,391 1.335,392 3.572,393 1.956,394 0.966,395 1.344,397 2.136,398 0.953,399 2.307,400 1.128,401 3.247,402 1.692,403 0.618,404 0.876,406 1.464,407 0.658,408 1.692,409 1,410 3.033,411 1.444,412 0.421,413 0.525,415 1.019,416 0.427,417 1.285,418 0.651,419 2.626,420 0.895,421 -0.145,422 -0.189,424 -0.334,425 -0.148,426 0.904,427 0.27,428 2,429 0.537,430 -0.471,431 -0.602,433 -1.083,434 -0.471,435 0.503,436 -0.028,437 1.946,438 0.02,439 -1,440 -1.236,442 -2,443 -0.95,444 0.5,445 -0.61,446 1.657,447 -0.025,448 -1,449 -1.483,451 -2.347,452 -0.973,453 0.274,454 -0.671,455 1.555,456 -0.127,457 -1.127,458 -1.5,460 -2.818,461 -1.118,462 10.233,463 0.465,464 0.672,465 0.031,466 28,467 1.273,468 15,469 0.682,470 13,471 0.591,472 16.625,473 0.756,474 23.367,475 0.632,476 21.948,477 0.998,478 5.922,479 0.269,480 4.492,481 0.204,482 0.228,484 0.391,487 0.646,488 1.069,489 0.726,490 0.985,491 0.633,492 0.898,493 0.504,494 0.934,495 0.667,496 0.903,497 0.486,498 0.834,499 0.828,500 1.173,501 0.935,502 1.178,503 0.848,504 1.103,505 1.199,506 1.027,507 1.179,508 1.078,509 1.255,510 1.114,511 1.071,512 1.019,513 1.052,514 1.034,515 1.148,516 1.043,517 0.765,518 1.184,519 0.89,520 1.162,521 0.797,522 1.082,523 1.097,524 0.882,525 1.07,526 0.882,527 1.065,528 0.95,529 1.23,530 0.841,531 1.238,532 0.872,533 1.177,534 1.015,535 4.5,536 0.054,537 2.889,538 1.938,539 1.778,540 0.938,541 0.611,542 0.299,543 0.078,544 0.066,545 4255,546 15250,547 1.919,548 40.5,549 8,550 4,552 2,553 1,558 1.649,559 1.737,560 3.101,561 -0.31,562 1,563 1,565 1,567 56.66,568 1.531,569 3.614,570 4.466,571 4.736,572 4.898,573 4.898,574 2.738,575 3.732,576 4.424,577 3.273,578 755.948,579 7.624,580 8172.78,581 1,582 1,584 1,585 192.75,586 1.573,587 4.349,588 0.196,589 0.008,590 0.09,591 0.055,592 0.057,593 0.031,594 0.021,595 0.015,596 0.008,597 0.009,598 0.491,599 0.5,600 1,601 1.322,602 100.209,603 -0.052,604 -0.002,605 -0.003,606 0.043,607 -0.074,608 0.033,609 0.133,610 0.107,611 0.156,612 0.107,613 0.137,614 0.135,615 -0.07,616 -0.163,617 -0.106,618 -0.173,619 -0.057,620 -0.153,621 -0.2,622 -0.054,623 -0.235,624 -0.102,625 -0.189,626 -0.16,627 -0.054,628 -0.075,629 -0.078,630 -0.05,631 -0.052,632 -0.068,633 0.213,634 -0.224,635 0.088,636 -0.192,637 0.191,638 -0.108,639 0.08,640 0.064,641 0.026,642 0.055,643 0.088,644 0.033,645 -0.206,646 0.098,647 -0.144,648 0.075,649 -0.2,650 0.003,651 2.83,652 5.471,653 0.545,654 18.446,655 1.016,656 1.115,657 1.554,658 2.415,659 0.68,660 3.178,661 3.497,662 3.738,663 3.932,664 4.143,665 4.143,666 4.078,667 4.078,668 4.078,669 3.892,670 5.319,671 0.664,672 297.33,673 3.178,674 4.71,675 5.549,676 6.422,677 7.288,678 8.17,679 9.049,680 9.937,681 10.823,682 11.715,683 2.7,693 1,699 4,700 1,704 1,706 6,724 37,726 12,728 23,730 38,731 17,733 5,736 9,739 2,740 2,745 2,751 1,753 14,754 3,756 6,761 3,763 2,765 7,768 1,769 1,772 15,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,814 2,818 1,822 2,823 4,830 1,832 2,836 2,840 22,845 1,846 1,862 10.8,864 1,865 3,869 12.667,870 7.4,871 4.917,872 2.1,874 2.099,875 1.328,876 0.921,877 4.596,878 8.501,879 3.497,880 4.052,881 4.582,882 5.015,883 5.485,884 5.617,885 5.782,886 6.029,887 6.304,888 6.398,889 1,890 35,891 8.163,893 3.492,894 8.265,895 14.79,897 11.662,899 2.765,900 60.833,904 164.795,905 103.289,906 16.786,908 118.118,911 103.289,912 282.914,913 16.786,914 17.65,915 2.535,916 37.905,917 169.623,918 34.023,920 141.253,922 164.795,923 120.075,924 118.118,927 164.795,928 118.118,931 38.28,932 46.057,933 35.738,935 164.795,936 134.904,937 103.289,940 164.795,941 29.639,942 73.65,944 134.904,945 164.795,946 134.904,947 103.289,949 0.584,950 0.338,951 0.171,952 0.098,953 14,954 8,955 0.105,956 4,958 1,959 3.256,960 165.952,962 12,963 98.107,968 15.747,969 6.421,970 3.352,972 134.904,973 6.892,974 3.995,978 0.843,980 42.683,981 402.989,982 32,987 35.437,989 2.047,991 -0.512,994 37.596,995 41.242,996 0.294,997 0.694,998 0.857,999 0.909,1000 0.94,1001 0.94,1002 4.732,1003 0.966,1004 5.557,1005 2.431,1006 4.174,1007 4.736,1008 1.801,1009 6.385,1010 4.186,1011 5.964,1012 0.618,1013 7.143,1014 2.136,1015 3.892,1016 4.59,1018 7.365,1019 3.935,1020 7.288,1021 0.421,1022 8.834,1023 1.464,1024 5.784,1025 6.891,1026 2.297,1027 10.496,1028 5.818,1029 8.647,1030 -0.145,1031 10.586,1032 1.019,1033 6.293,1034 7.519,1036 12.277,1037 6.369,1038 10.037,1039 -0.471,1040 12.377,1041 -0.334,1042 7.708,1043 9.321,1044 2.933,1045 14.978,1046 7.776,1047 11.45,1048 -1,1049 14.194,1050 -1.083,1051 8.574,1052 10.317,1054 17.103,1055 8.681,1056 12.883,1057 -1,1058 16.031,1059 -2,1060 9.822,1061 11.913,1062 3.621,1063 19.651,1064 9.931,1065 3.277,1066 -1.127,1067 17.884,1068 -2.347,1069 10.858,1070 13.107,1072 21.937,1073 10.999,1074 2.6,1075 11.392,1076 19.748,1077 -2.818,1078 12.052,1079 14.608,1080 4.33,1081 24.422,1082 12.201,1083 2.322,1084 8.397,1085 21.623,1086 4.19,1087 13.167,1088 15.91,1090 26.784,1091 13.342,1092 2.303,1093 7.292,1094 23.505,1095 3.478,1096 14.346,1097 17.368,1098 5.048,1099 29.241,1100 14.535,1101 2.134,1102 6.737,1103 25.395,1104 3.204,1105 15.499,1106 18.729,1108 31.64,1109 15.709,1110 1.466,1111 5.135,1112 27.291,1113 2.859,1114 16.677,1115 20.169,1116 5.769,1117 34.084,1118 16.904,1119 1,1120 3.182,1121 29.192,1122 2.755,1123 17.846,1124 21.561,1126 36.5,1127 18.093,1128 4412,1129 8431,1130 14.334,1131 25.154,1132 35.403,1133 37.29,1134 36.637,1135 34.245,1136 34.216,1137 45.579,1138 4.233,1139 98.367,1140 34.375,1141 5.518,1142 5.826,1143 6.712,1144 5.331,1145 5.277,1146 7.19,1147 2.873,1148 19.392,1149 5.333,1150 13.75,1151 1.539,1152 1.621,1153 1.593,1154 1.489,1155 1.488,1156 1.982,1157 0.184,1158 4.277,1159 1.495,1160 4.009,1161 4.024,1162 3.97,1163 3.933,1164 7.476,1165 3.939,1166 3.83,1167 3.863,1168 3.772,1169 3.735,1170 7.436,1171 3.739,1172 3.575,1173 3.59,1174 3.516,1175 3.434,1176 7.418,1177 3.443,1178 3.343,1179 3.397,1180 3.214,1181 3.183,1182 6.351,1183 3.183,1184 3.158,1185 3.2,1186 3.089,1187 2.976,1188 4.896,1189 2.982,1190 2.972,1191 3.027,1192 2.816,1193 2.715,1194 4.428,1195 2.747,1196 2.86,1197 2.897,1198 2.649,1199 2.634,1200 4.155,1201 2.623,1202 2.753,1203 2.836,1204 2.615,1205 2.518,1206 3.882,1207 2.534,1208 0.202,1209 0.166,1210 0.3,1211 0.187,1212 0.142,1213 4.654,1214 0.182,1215 3.826,1216 0.062,1217 6.91,1218 0.495,1219 4.295,1220 0.145,1221 3.277,1222 4.19,1223 1.437,1224 11.392,1225 3.333,1226 1.959,1227 1.945,1228 2.05,1229 2.054,1230 1.241,1231 2.052,1232 1.808,1233 1.777,1234 1.922,1235 1.928,1236 1.012,1237 1.927,1238 1.522,1239 1.496,1240 1.709,1241 1.696,1242 0.797,1243 1.686,1244 1.328,1245 1.276,1246 1.596,1247 1.543,1248 0.609,1249 1.566,1250 1.129,1251 1.071,1252 1.443,1253 1.344,1254 0.565,1255 1.377,1256 0.901,1257 0.844,1258 1.182,1259 1.22,1260 0.212,1261 1.208,1262 0.788,1263 0.755,1264 1.032,1265 1.056,1266 0.046,1267 1.033,1268 0.696,1269 0.622,1270 0.922,1271 0.978,1273 0.983,1274 3.85,1276 5.165,1278 6.681,1280 8.298,1282 9.974,1284 3.129,1289 8.671,1290 0.331,1300 24.568,1301 56.66,1302 133.73,1303 165.24,1304 175.24,1305 181.24,1306 181.24,1307 64.103,1308 6.402,1309 84.33,1310 84.33,1311 12,1312 12.244,1313 3.7,1314 3.322,1315 42.062,1316 70,1317 68,1318 0.31,1319 155.486,1320 289.44,1321 371.146,1322 4016,1324 16.276,1325 0.74,1326 0.559,1327 16.276,1328 12.29,1329 10.414,1330 0.453,1331 0.292,1332 6.64,1333 10.063,1334 6.385,1335 5.341,1336 10.414,1337 6.714,1338 9.475,1339 0.296,1340 0.157,1341 9.475,1342 5.01,1343 7.768,1344 0.189,1345 0.087,1346 7.768,1347 3.553,1348 5.806,1349 0.116,1350 0.046,1351 5.806,1352 2.303,1353 4.575,1354 0.074,1355 0.025,1356 4.575,1357 1.546,1358 0.472,1359 65.291,1360 0.264,1361 21.507,1362 0.894,1363 110,1364 393.001,1365 120.023,1366 376.774,1367 488.39,1368 346,1369 128,1370 333.052,1371 136.808,1372 339.982,1373 490.09,1374 317,1375 6.301} {0 CHEMBL92247,1 1.412,2 10.481,3 3.761,4 14.148,5 105.029,6 6.843,7 0.214,8 4.032,9 4.147,10 3.504,11 3.578,12 5.121,13 3.532,14 4.594,15 4.783,16 3.834,17 3.947,18 5.646,19 3.877,20 4.832,21 5.023,22 3.973,23 4.129,24 5.891,25 4.051,26 4.991,27 5.189,28 3.977,29 4.215,30 6.084,31 4.114,32 5.093,33 5.32,34 3.965,35 4.25,36 6.197,37 4.127,38 5.073,39 5.314,40 3.919,41 4.23,42 6.075,43 4.093,44 5.076,45 5.341,46 3.787,47 4.146,48 6.046,49 3.99,50 4.928,51 5.201,52 3.552,53 3.951,54 5.849,55 3.782,56 0.007,57 0.7,58 11.683,59 5.554,60 7.626,61 7.237,62 0.227,63 1.119,64 22.053,65 9.018,66 31.823,67 12.215,68 0.233,69 1.374,70 28.367,71 11.282,72 45.518,73 15.076,74 0.352,75 1.568,76 33.825,77 12.852,78 79.042,79 17.219,80 0.544,81 1.691,82 38.166,83 13.917,84 119.856,85 19.133,86 0.388,87 1.692,88 37.063,89 13.793,90 81.063,91 19.401,92 0.443,93 1.645,94 37.828,95 13.314,96 87.583,97 19.103,98 0.336,99 1.391,100 32.766,101 11.381,102 73.629,103 16.377,104 57,105 38,106 0.236,107 0.508,108 0.689,109 0.789,110 0.822,111 0.854,112 3.34,113 1.002,114 -4,115 -3.95,116 -3.74,118 40.7,119 4,120 4,121 1,124 1,134 4,140 2,141 1,143 2,152 2,154 1,168 13,171 1,172 9,180 14,186 11,194 17,198 10,206 19,209 1,210 8,218 17,221 1,222 9,229 14,233 1,234 9,242 10,247 5,255 5,258 2,259 5,267 3,270 1353,271 17.623,272 17.623,273 17.623,274 17.623,275 17.623,276 15.88,277 13.723,278 10.567,279 17.755,280 13.723,281 13.723,282 13.723,283 13.723,284 13.723,285 11.087,286 15.134,287 4.988,288 13.857,289 4.342,290 2.718,291 1.639,292 1.038,293 0.839,294 0.649,295 3.999,298 1,299 1,300 1,301 573,302 3.937,306 202.89,313 1.391,314 36.051,316 1,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 58.5,326 283,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 2.443,334 11.949,335 3.381,336 4.117,337 3.627,338 6.35,339 3.822,340 2.818,341 3.57,342 0.68,343 9.419,344 2.828,345 3.74,346 3.426,347 5.791,348 3.344,349 2.303,350 3.125,351 0.286,352 7.292,353 2.393,354 3.618,355 3.158,356 5.65,357 3.236,358 2.239,359 2.806,361 7.085,362 2.23,363 3.55,364 2.473,365 4.659,366 3.197,367 2.235,368 2.71,370 5.184,371 2.121,372 3.07,373 2.136,374 4.495,375 2.81,376 1.813,377 2.219,379 4.29,380 1.804,381 2.768,382 2.006,383 3.775,384 2.575,385 1.592,386 1.783,388 3.36,389 1.561,390 2.5,391 1.802,392 3.621,393 2.184,394 1.206,395 1.5,397 2.678,398 1.174,399 2.471,400 1.479,401 3.618,402 1.956,403 1,404 1.414,406 2.136,407 0.954,408 2.319,409 1.213,410 3.411,411 1.849,412 0.862,413 1.004,415 1.968,416 0.843,417 1.959,418 1.172,419 3.247,420 1.693,421 0.618,422 0.842,424 1.464,425 0.659,426 1.511,427 1,428 3.012,429 1.406,430 0.405,431 0.433,433 0.943,434 0.402,435 1.332,436 0.778,437 2.477,438 1.121,439 0.121,440 0.134,442 0.257,443 0.119,444 1.006,445 0.421,446 2.272,447 0.728,448 -0.299,449 -0.349,451 -0.691,452 -0.304,453 0.682,454 0.139,455 2,456 0.379,457 -0.594,458 -0.676,460 -1.32,461 -0.573,462 12.733,463 0.472,464 0.745,465 0.028,466 29.25,467 1.083,468 13.5,469 0.5,470 15.75,471 0.583,472 28.389,473 1.051,474 30.467,475 0.564,476 22.802,477 0.845,478 5.637,479 0.209,480 7.204,481 0.267,482 0.236,484 0.353,487 0.599,488 1.281,489 0.854,490 1.216,491 0.532,492 1.099,493 0.657,494 1.005,495 0.804,496 0.982,497 0.518,498 0.924,499 0.993,500 1.045,501 0.951,502 1.037,503 0.886,504 0.996,505 1.184,506 1.125,507 1.159,508 1.138,509 1.328,510 1.145,511 1.061,512 1.006,513 1.083,514 1.007,515 1.175,516 1.044,517 0.819,518 1.087,519 1.015,520 1.07,521 0.874,522 1.075,523 0.844,524 1.002,525 1,526 0.999,527 0.892,528 1.019,529 0.883,530 1.046,531 1.028,532 1.055,533 0.886,534 1.06,535 4.5,536 0.19,537 3.333,538 2.313,539 1.898,540 1.028,541 0.733,542 0.455,543 0.267,544 0.207,545 7540,546 21748,547 1.913,548 50,549 16,550 4,552 2,554 3,555 2,558 1.706,559 1.742,560 3.266,561 -0.806,563 1,567 76.274,568 1.412,569 3.036,570 4.115,571 4.717,572 4.916,573 5.106,574 2.667,575 4.134,576 4.717,577 3.508,578 1231.3,579 8.225,580 15890.4,582 1,584 1,585 310.764,586 1.561,587 4.65,588 0.161,589 0.01,590 0.088,591 0.054,592 0.046,593 0.026,594 0.019,595 0.014,596 0.011,597 0.01,598 0.439,599 0.33,600 1,601 1.914,602 133.322,603 0.002,604 -0.079,605 0.03,606 -0.041,607 -0.015,608 -0.008,609 0.109,610 0.078,611 0.131,612 0.086,613 0.095,614 0.11,615 -0.074,616 0.004,617 0.004,618 0.016,619 -0.026,620 0.022,621 -0.149,622 -0.098,623 -0.186,624 -0.112,625 -0.144,626 -0.149,627 -0.062,628 -0.016,629 -0.104,630 -0.012,631 -0.04,632 -0.058,633 -0.022,634 -0.087,635 -0.062,636 -0.074,637 -0.033,638 -0.077,639 -0.021,640 -0.031,641 -0.033,642 -0.041,643 -0.041,644 -0.04,645 -0.046,646 -0.094,647 -0.058,648 -0.107,649 -0.073,650 -0.086,651 1.937,652 5.971,653 0.444,654 25.909,655 0.998,656 1.125,657 2.769,658 7.667,659 0.643,660 3.367,661 3.664,662 3.912,663 4.111,664 4.304,665 4.317,666 4.304,667 4.29,668 4.263,669 4.143,670 6.294,671 0.606,672 369.5,673 3.367,674 4.89,675 5.727,676 6.594,677 7.461,678 8.344,679 9.226,680 10.117,681 11.009,682 11.907,683 1.9,693 1,699 4,700 1,704 1,706 6,724 54,726 11,728 28,730 55,731 22,733 5,736 6,739 2,740 2,745 4,751 4,753 12,754 10,755 1,756 5,761 3,765 7,769 1,772 27,773 5,775 5,779 1,784 1,785 4,795 1,802 2,814 2,819 1,823 4,832 2,836 4,840 27,846 5,848 1,850 1,862 7.4,865 3,867 1,869 15.5,870 11.033,871 6.139,872 3.481,874 1.595,875 1.241,876 0.915,877 7.386,878 8.227,879 3.611,880 4.119,881 4.603,882 5.018,883 5.448,884 5.543,885 5.713,886 5.921,887 6.126,888 6.18,889 0.857,890 43,891 10.071,893 4.177,894 7.932,895 19.048,897 15.147,899 2.432,900 65.667,902 1,903 1,904 317.82,905 120.465,906 16.786,908 86.435,911 120.465,912 404.254,913 16.786,914 35.301,915 14.731,916 18.952,917 133.221,918 45.023,920 294.278,922 317.82,923 137.25,924 86.435,927 294.278,928 109.977,931 68.126,932 52.339,933 16.786,935 317.82,936 103.22,937 120.465,940 317.82,941 48.117,942 72.348,944 103.22,945 317.82,946 103.22,947 120.465,949 0.575,950 0.336,951 0.172,952 0.093,953 15,954 9,955 0.164,956 9,958 1,959 3.684,960 218.304,962 12,963 128.382,968 20.929,969 9.528,970 5.081,972 103.22,973 7.267,974 4.192,978 0.945,981 541.505,982 36,987 36.372,991 1.835,994 53.898,995 60.734,996 0.245,997 0.528,998 0.715,999 0.82,1000 0.854,1001 0.887,1002 4.848,1003 1.206,1004 5.72,1005 3.36,1006 4.344,1007 4.804,1008 2.482,1009 6.55,1010 4.339,1011 6.048,1012 1,1013 7.305,1014 2.678,1015 4.007,1016 4.649,1017 2.243,1018 7.561,1019 4.046,1020 7.36,1021 0.862,1022 9.002,1023 2.136,1024 5.943,1025 6.903,1026 3.85,1027 10.725,1028 5.951,1029 8.711,1030 0.618,1031 10.765,1032 1.968,1033 6.447,1034 7.563,1035 4.269,1036 12.579,1037 6.508,1038 10.099,1039 0.405,1040 12.572,1041 1.464,1042 7.88,1043 9.326,1044 5.487,1045 15.302,1046 7.921,1047 11.513,1048 0.121,1049 14.407,1050 0.943,1051 8.764,1052 10.355,1053 6.158,1054 17.499,1055 8.848,1056 12.948,1057 -0.299,1058 16.264,1059 0.257,1060 10.024,1061 11.928,1062 7.208,1063 20.07,1064 10.103,1065 3.334,1066 -0.594,1067 18.136,1068 -0.691,1069 11.08,1070 13.145,1071 7.992,1072 22.419,1073 11.19,1074 2.818,1075 11.949,1076 20.019,1077 -1.32,1078 12.284,1079 14.634,1080 8.963,1081 24.931,1082 12.401,1083 2.303,1084 9.419,1085 21.913,1086 4.196,1087 13.417,1088 15.949,1089 9.802,1090 27.349,1091 13.556,1092 2.239,1093 7.292,1094 23.814,1095 3.57,1096 14.607,1097 17.402,1098 10.734,1099 29.839,1100 14.757,1101 2.235,1102 7.085,1103 25.723,1104 3.125,1105 15.774,1106 18.77,1107 11.599,1108 32.289,1109 15.942,1110 1.813,1111 5.184,1112 27.636,1113 2.806,1114 16.964,1115 20.207,1116 12.512,1117 34.771,1118 17.146,1119 1.592,1120 4.29,1121 29.555,1122 2.71,1123 18.146,1124 21.603,1125 13.391,1126 37.236,1127 18.345,1128 7807,1129 13328,1130 17.512,1131 34.722,1132 41.837,1133 44.212,1134 44.213,1135 41.084,1136 41.091,1137 51.472,1138 6.818,1139 116.051,1140 40.935,1141 5.635,1142 5.873,1143 6.872,1144 5.385,1145 5.334,1146 7.196,1147 4.174,1148 19.949,1149 5.381,1150 17.638,1151 1.494,1152 1.579,1153 1.579,1154 1.467,1155 1.468,1156 1.838,1157 0.243,1158 4.145,1159 1.462,1160 4.027,1161 4.048,1162 3.98,1163 3.952,1164 7.438,1165 3.955,1166 3.831,1167 3.862,1168 3.772,1169 3.735,1170 7.432,1171 3.739,1172 3.721,1173 3.772,1174 3.59,1175 3.571,1176 7.418,1177 3.561,1178 3.543,1179 3.578,1180 3.426,1181 3.351,1182 4.896,1183 3.356,1184 3.409,1185 3.469,1186 3.267,1187 3.255,1188 4.457,1189 3.258,1190 3.28,1191 3.351,1192 3.135,1193 3.112,1194 4.378,1195 3.1,1196 3.153,1197 3.221,1198 3.005,1199 2.944,1200 4.131,1201 2.944,1202 2.989,1203 3.08,1204 2.763,1205 2.808,1206 3.977,1207 2.784,1208 0.167,1209 0.138,1210 0.252,1211 0.155,1212 0.119,1213 4.678,1214 0.15,1215 3.873,1216 0.087,1217 7.048,1218 0.427,1219 4.349,1220 0.121,1221 3.334,1222 4.196,1223 2.443,1224 11.949,1225 3.381,1226 1.978,1227 1.96,1228 2.089,1229 2.074,1230 1.412,1231 2.078,1232 1.809,1233 1.779,1234 1.964,1235 1.934,1236 1.22,1237 1.94,1238 1.709,1239 1.654,1240 1.914,1241 1.888,1242 1.055,1243 1.901,1244 1.483,1245 1.439,1246 1.73,1247 1.72,1248 0.873,1249 1.718,1250 1.408,1251 1.355,1252 1.691,1253 1.6,1254 0.793,1255 1.636,1256 1.291,1257 1.219,1258 1.616,1259 1.507,1260 0.693,1261 1.547,1262 1.145,1263 1.067,1264 1.537,1265 1.402,1266 0.599,1267 1.449,1268 1.012,1269 0.928,1270 1.352,1271 1.255,1272 0.554,1273 1.292,1274 4.043,1276 5.342,1278 6.845,1280 8.455,1282 10.131,1284 6.582,1290 3.673,1292 4.961,1294 -0.16,1300 32.729,1301 76.274,1302 163.967,1303 222.235,1304 254.725,1305 265.48,1306 275.744,1307 87.754,1308 6.632,1309 73.33,1310 73.33,1311 12,1312 12.432,1313 3.585,1314 3.17,1315 58.133,1316 93,1317 130,1318 0.288,1319 206.375,1320 378.58,1321 495.316,1322 5233,1324 19.974,1325 0.74,1326 0.611,1327 19.974,1328 16.502,1329 12.841,1330 0.459,1331 0.334,1332 9.259,1333 12.416,1334 8.858,1335 7.434,1336 12.841,1337 9.351,1338 11.32,1339 0.298,1340 0.184,1341 11.32,1342 6.975,1343 9.35,1344 0.191,1345 0.104,1346 9.35,1347 5.111,1348 6.987,1349 0.116,1350 0.057,1351 6.987,1352 3.439,1353 5.318,1354 0.073,1355 0.032,1356 5.318,1357 2.35,1358 0.445,1359 80.187,1360 0.239,1361 25.822,1362 0.81,1363 132,1364 416.587,1365 143.463,1366 394.287,1367 517.77,1368 366,1369 153,1370 356.476,1371 163.137,1372 361.246,1373 522.02,1374 338,1375 6.022} {0 CHEMBL92414,1 1.412,2 10.481,3 4.217,4 17.785,5 104.816,6 6.843,7 0.214,8 4.032,9 4.148,10 3.495,11 3.587,12 5.141,13 3.538,14 4.585,15 4.773,16 3.829,17 3.974,18 5.68,19 3.893,20 4.867,21 5.071,22 3.975,23 4.16,24 5.916,25 4.069,26 5.027,27 5.237,28 3.978,29 4.228,30 6.114,31 4.121,32 5.093,33 5.32,34 3.965,35 4.25,36 6.211,37 4.127,38 5.073,39 5.314,40 3.919,41 4.23,42 6.092,43 4.093,44 5.075,45 5.341,46 3.78,47 4.152,48 6.058,49 3.994,50 4.927,51 5.197,52 3.529,53 3.983,54 5.85,55 3.807,56 0.024,57 0.702,58 11.701,59 5.57,60 11.356,61 7.252,62 0.183,63 1.138,64 21.534,65 9.216,66 44.812,67 12.558,68 0.191,69 1.432,70 29.245,71 11.877,72 53.041,73 16.109,74 0.371,75 1.609,76 35.24,77 13.265,78 92.319,79 17.923,80 0.544,81 1.691,82 38.166,83 13.917,84 130.23,85 19.133,86 0.388,87 1.692,88 37.063,89 13.793,90 89.59,91 19.401,92 0.461,93 1.647,94 37.846,95 13.33,96 98.553,97 19.118,98 0.365,99 1.407,100 32.606,101 11.523,102 83.505,103 16.554,104 57,105 38,106 0.236,107 0.525,108 0.696,109 0.781,110 0.831,111 0.863,112 3.34,113 1.011,114 -4,115 -3.95,116 -3.74,118 40.7,119 3,120 6,121 1,134 4,140 2,141 1,143 2,152 2,154 1,163 1,167 1,168 15,169 1,172 7,175 1,177 1,180 16,181 1,186 11,191 1,194 19,195 1,198 9,203 1,206 20,207 1,209 1,210 7,215 1,218 18,219 1,221 1,222 8,227 1,229 16,230 1,233 1,234 7,239 1,242 13,243 1,247 5,252 1,255 9,256 2,259 5,264 2,267 6,268 2,270 1353,271 17.623,272 17.623,273 17.623,274 17.623,275 17.623,276 15.88,277 12.845,278 10.567,279 17.645,280 13.723,281 13.723,282 13.723,283 13.723,284 13.723,285 11.087,286 14.189,287 4.988,288 13.709,289 4.342,290 2.615,291 1.593,292 1.089,293 0.788,294 0.597,295 3.999,299 1,300 1,301 573,302 3.937,306 202.89,313 1.391,314 38.079,316 1,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 0.98,325 58.5,326 283,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 2.341,334 11.949,335 3.381,336 4.117,337 3.596,338 6.35,339 3.822,340 2.818,341 3.57,342 0.68,343 9.419,344 2.828,345 3.74,346 3.426,347 5.791,348 3.344,349 2.303,350 3.125,352 7.292,353 2.393,354 3.618,355 3.158,356 5.65,357 3.241,358 2.239,359 2.806,361 7.085,362 2.23,363 3.55,364 2.473,365 4.659,366 3.236,367 2.235,368 2.71,370 5.184,371 2.223,372 3.07,373 2.135,374 4.495,375 2.81,376 1.813,377 2.219,379 4.29,380 1.804,381 2.768,382 1.866,383 3.775,384 2.578,385 1.592,386 1.783,388 3.36,389 1.566,390 2.5,391 1.719,392 3.621,393 2.195,394 1.206,395 1.5,397 2.678,398 1.19,399 2.471,400 1.332,401 3.618,402 1.957,403 1,404 1.414,406 2.136,407 0.954,408 2.319,409 1.195,410 3.411,411 1.868,412 0.862,413 1.004,415 1.968,416 0.863,417 1.959,418 1.153,419 3.247,420 1.694,421 0.618,422 0.842,424 1.464,425 0.659,426 1.511,427 1,428 3.012,429 1.422,430 0.405,431 0.433,433 0.943,434 0.411,435 1.332,436 0.75,437 2.477,438 1.149,439 0.121,440 0.134,442 0.257,443 0.123,444 1.006,445 0.416,446 2.272,447 0.742,448 -0.299,449 -0.349,451 -0.691,452 -0.308,453 0.682,454 0.127,455 2,456 0.4,457 -0.594,458 -0.676,460 -1.32,461 -0.581,462 12.733,463 0.472,464 0.745,465 0.028,466 29,467 1.074,468 13.5,469 0.5,470 15.5,471 0.574,472 28.703,473 1.063,474 30.467,475 0.564,476 22.488,477 0.833,478 5.419,479 0.201,480 7.422,481 0.275,482 0.223,484 0.353,487 0.633,488 1.209,489 0.876,490 1.148,491 0.602,492 1.068,493 0.464,494 1.065,495 0.806,496 1.051,497 0.444,498 0.992,499 0.787,500 1.072,501 0.9,502 1.07,503 0.799,504 1.015,505 1.137,506 1.081,507 1.113,508 1.093,509 1.19,510 1.1,511 1.061,512 1.006,513 1.083,514 1.007,515 1.097,516 1.044,517 0.819,518 1.087,519 1.015,520 1.07,521 0.834,522 1.075,523 0.855,524 0.977,525 1.007,526 0.976,527 0.855,528 1.008,529 0.875,530 1.003,531 1.068,532 1.021,533 0.869,534 1.064,535 4.5,536 0.19,537 3.333,538 2.313,539 1.898,540 1.028,541 0.733,542 0.455,543 0.267,544 0.207,545 7540,546 22340,547 1.913,548 50,549 20,550 2,552 2,553 1,554 2,558 1.706,559 1.742,560 3.266,561 -0.382,563 1,567 76.274,568 1.412,569 3.14,570 4.162,571 4.666,572 4.967,573 5.157,574 2.667,575 4.134,576 4.717,577 3.508,578 1231.3,579 8.225,580 15890.4,582 1,584 1,585 310.764,586 1.561,587 4.65,588 0.161,589 0.01,590 0.088,591 0.054,592 0.046,593 0.026,594 0.019,595 0.014,596 0.011,597 0.01,598 0.439,599 0.33,600 1,601 1.914,602 133.322,603 -0.033,604 -0.006,605 0.007,606 0.028,607 -0.029,608 0.023,609 0.139,610 0.037,611 0.101,612 0.038,613 0.14,614 0.061,615 -0.019,616 -0.029,617 0.036,618 -0.015,619 -0.011,620 0.015,621 -0.13,622 -0.068,623 -0.14,624 -0.077,625 -0.124,626 -0.105,627 -0.062,628 -0.016,629 -0.104,630 -0.012,631 -0.046,632 -0.058,633 -0.022,634 -0.087,635 -0.062,636 -0.074,637 -0.036,638 -0.077,639 -0.032,640 -0.006,641 -0.041,642 -0.017,643 -0.046,644 -0.029,645 -0.078,646 -0.042,647 -0.106,648 -0.063,649 -0.091,650 -0.084,651 2.437,652 5.963,653 0.444,654 25.909,655 0.998,656 1.125,657 2.769,658 7.667,659 0.643,660 3.367,661 3.664,662 3.912,663 4.111,664 4.304,665 4.317,666 4.304,667 4.29,668 4.263,669 4.143,670 6.294,671 0.606,672 369.5,673 3.367,674 4.89,675 5.727,676 6.594,677 7.461,678 8.344,679 9.226,680 10.117,681 11.009,682 11.907,683 1.9,693 1,699 4,700 1,704 1,706 6,724 54,726 11,728 28,730 55,731 22,733 5,736 6,739 2,740 2,745 3,751 6,753 12,754 10,755 1,756 5,761 3,765 7,769 1,772 27,773 5,774 1,775 5,779 1,784 1,785 4,795 1,802 2,814 2,818 1,823 4,830 1,832 2,836 3,840 27,845 1,846 6,850 1,862 7.4,864 1,865 3,869 15.5,870 10.567,871 6.139,872 3.531,874 1.595,875 1.241,876 0.906,877 7.386,878 8.227,879 3.611,880 4.119,881 4.603,882 5.018,883 5.448,884 5.543,885 5.713,886 5.921,887 6.126,888 6.18,889 0.857,890 43,891 10.083,893 4.237,894 8.006,895 19.031,897 15.364,899 2.506,900 67.667,902 1,903 1,904 306.049,905 105.835,906 16.786,908 118.118,911 105.835,912 424.167,913 16.786,914 26.476,915 15.207,916 18.952,917 169.623,918 34.023,920 282.506,922 306.049,923 122.62,924 118.118,927 306.049,928 118.118,931 59.778,932 46.057,933 16.786,935 306.049,936 134.904,937 105.835,940 306.049,941 42.312,942 63.523,944 134.904,945 306.049,946 134.904,947 105.835,949 0.575,950 0.336,951 0.172,952 0.093,953 15,954 9,955 0.164,956 9,958 1,959 3.684,960 218.304,962 12,963 128.382,968 20.929,969 9.528,970 5.081,972 134.904,973 7.235,974 4.184,978 0.936,980 42.683,981 546.787,982 36,987 36.135,991 1.287,994 53.898,995 60.734,996 0.245,997 0.546,998 0.723,999 0.811,1000 0.863,1001 0.896,1002 4.848,1003 1.206,1004 5.72,1005 3.36,1006 4.344,1007 4.804,1008 2.35,1009 6.55,1010 4.353,1011 6.048,1012 1,1013 7.305,1014 2.678,1015 4.007,1016 4.649,1017 2.243,1018 7.561,1019 4.046,1020 7.36,1021 0.862,1022 9.002,1023 2.136,1024 5.943,1025 6.903,1026 3.64,1027 10.725,1028 5.972,1029 8.711,1030 0.618,1031 10.765,1032 1.968,1033 6.447,1034 7.563,1035 4.112,1036 12.579,1037 6.513,1038 10.099,1039 0.405,1040 12.572,1041 1.464,1042 7.88,1043 9.326,1044 5.203,1045 15.302,1046 7.938,1047 11.513,1048 0.121,1049 14.407,1050 0.943,1051 8.764,1052 10.355,1053 5.889,1054 17.499,1055 8.853,1056 12.948,1057 -0.299,1058 16.264,1059 0.257,1060 10.024,1061 11.928,1062 6.849,1063 20.07,1064 10.114,1065 3.334,1066 -0.594,1067 18.136,1068 -0.691,1069 11.08,1070 13.145,1071 7.625,1072 22.419,1073 11.195,1074 2.818,1075 11.949,1076 20.019,1077 -1.32,1078 12.284,1079 14.634,1080 8.526,1081 24.931,1082 12.406,1083 2.303,1084 9.419,1085 21.913,1086 4.196,1087 13.417,1088 15.949,1089 9.342,1090 27.349,1091 13.558,1092 2.239,1093 7.292,1094 23.814,1095 3.57,1096 14.607,1097 17.402,1098 10.216,1099 29.839,1100 14.76,1101 2.235,1102 7.085,1103 25.723,1104 3.125,1105 15.774,1106 18.77,1107 11.051,1108 32.289,1109 15.944,1110 1.813,1111 5.184,1112 27.636,1113 2.806,1114 16.964,1115 20.207,1116 11.912,1117 34.771,1118 17.147,1119 1.592,1120 4.29,1121 29.555,1122 2.71,1123 18.146,1124 21.603,1125 12.755,1126 37.236,1127 18.346,1128 7807,1129 13504,1130 17.512,1131 34.722,1132 41.837,1133 44.078,1134 44.213,1135 41.144,1136 41.091,1137 51.472,1138 6.042,1139 116.051,1140 41.245,1141 5.635,1142 5.873,1143 6.872,1144 5.384,1145 5.334,1146 7.196,1147 3.925,1148 19.949,1149 5.381,1150 17.638,1151 1.494,1152 1.574,1153 1.579,1154 1.469,1155 1.468,1156 1.838,1157 0.216,1158 4.145,1159 1.473,1160 4.027,1161 4.048,1162 3.981,1163 3.952,1164 7.474,1165 3.955,1166 3.832,1167 3.863,1168 3.772,1169 3.735,1170 7.436,1171 3.739,1172 3.754,1173 3.807,1174 3.619,1175 3.622,1176 7.418,1177 3.61,1178 3.551,1179 3.599,1180 3.426,1181 3.4,1182 6.351,1183 3.395,1184 3.394,1185 3.453,1186 3.257,1187 3.258,1188 4.896,1189 3.248,1190 3.247,1191 3.296,1192 3.128,1193 3.05,1194 4.384,1195 3.054,1196 3.139,1197 3.208,1198 2.991,1199 2.918,1200 4.165,1201 2.919,1202 2.973,1203 3.048,1204 2.76,1205 2.762,1206 4.061,1207 2.753,1208 0.167,1209 0.138,1210 0.252,1211 0.155,1212 0.119,1213 4.678,1214 0.15,1215 3.873,1216 0.084,1217 7.048,1218 0.427,1219 4.349,1220 0.121,1221 3.334,1222 4.196,1223 2.341,1224 11.949,1225 3.381,1226 1.979,1227 1.96,1228 2.093,1229 2.074,1230 1.425,1231 2.079,1232 1.811,1233 1.781,1234 1.992,1235 1.939,1236 1.27,1237 1.955,1238 1.752,1239 1.698,1240 1.926,1241 1.91,1242 1.089,1243 1.92,1244 1.533,1245 1.482,1246 1.774,1247 1.725,1248 0.96,1249 1.74,1250 1.403,1251 1.345,1252 1.687,1253 1.586,1254 0.804,1255 1.622,1256 1.211,1257 1.156,1258 1.54,1259 1.454,1260 0.695,1261 1.47,1262 1.13,1263 1.048,1264 1.488,1265 1.394,1266 0.595,1267 1.436,1268 0.951,1269 0.885,1270 1.268,1271 1.229,1272 0.44,1273 1.242,1274 4.043,1276 5.342,1278 6.845,1280 8.455,1282 10.131,1284 5.16,1289 8.72,1290 4.178,1294 -0.169,1300 32.729,1301 76.274,1302 169.537,1303 224.751,1304 251.97,1305 268.235,1306 278.499,1307 94.152,1308 6.632,1309 84.33,1310 84.33,1311 12,1312 12.432,1313 3.585,1314 3.17,1315 58.133,1316 93,1317 130,1318 0.288,1319 206.375,1320 378.58,1321 495.316,1322 5233,1324 19.974,1325 0.74,1326 0.602,1327 19.974,1328 16.249,1329 12.841,1330 0.459,1331 0.337,1332 9.361,1333 12.49,1334 9.008,1335 7.552,1336 12.841,1337 9.436,1338 11.32,1339 0.298,1340 0.188,1341 11.32,1342 7.132,1343 9.35,1344 0.191,1345 0.108,1346 9.35,1347 5.302,1348 6.987,1349 0.116,1350 0.06,1351 6.987,1352 3.574,1353 5.318,1354 0.073,1355 0.034,1356 5.318,1357 2.446,1358 0.445,1359 79.856,1360 0.239,1361 25.822,1362 0.81,1363 132,1364 405.001,1365 142.023,1366 388.708,1367 506.09,1368 358,1369 153,1370 346.052,1371 161.808,1372 352.769,1373 508.82,1374 330,1375 7.357} {0 CHEMBL92863,1 1.42,2 7.7,3 2.988,4 8.931,5 77.437,6 7.979,7 0.545,8 3.59,9 3.681,10 3.222,11 3.262,12 4.785,13 3.234,14 4.08,15 4.216,16 3.574,17 3.641,18 5.233,19 3.6,20 4.311,21 4.454,22 3.711,23 3.771,24 5.538,25 3.725,26 4.433,27 4.606,28 3.613,29 3.701,30 5.726,31 3.649,32 4.333,33 4.509,34 3.475,35 3.577,36 5.735,37 3.515,38 4.164,39 4.354,40 3.267,41 3.447,42 5.395,43 3.354,44 4.101,45 4.353,46 3.007,47 3.248,48 5.232,49 3.128,50 3.69,51 3.943,52 2.531,53 2.867,54 4.719,55 2.724,56 0.003,57 0.393,58 5.345,59 2.936,60 4.823,61 3.574,62 0.038,63 0.658,64 10.069,65 4.925,66 12.938,67 6.122,68 0.036,69 0.812,70 13.236,71 6.365,72 18.995,73 7.801,74 0.206,75 0.91,76 17.37,77 7.089,78 55.101,79 8.152,80 0.324,81 0.807,82 16.322,83 6.529,84 82.842,85 7.52,86 0.161,87 0.715,88 13.117,89 5.561,90 36.483,91 6.931,92 0.2,93 0.701,94 14.151,95 5.34,96 39.126,97 7.088,98 0.088,99 0.458,100 9.176,101 3.635,102 20.662,103 4.875,104 10,105 31,106 0.26,107 0.585,108 0.734,109 0.82,110 0.842,111 0.853,112 3.059,113 0.88,114 -3.57,115 -3.54,116 -3.38,118 51.5,119 1,120 1,134 2,140 6,141 3,143 2,153 2,168 12,172 6,180 13,186 10,194 13,198 8,206 12,209 1,210 5,218 11,221 1,222 4,229 8,233 1,234 3,242 5,247 2,255 3,259 1,267 1,270 460,271 13.535,272 13.535,273 13.535,274 13.535,275 13.535,276 11.613,277 8.139,278 7.989,279 13.552,280 10.82,281 10.82,282 10.82,283 10.82,284 10.82,285 7.917,286 9.326,287 3.775,288 10.803,289 3.624,290 1.852,291 1.038,292 0.568,293 0.447,294 0.387,295 3.736,298 1,299 1,300 1,301 332,302 2.121,306 148.777,310 79.441,313 1.13,314 23.857,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42.5,326 154,327 4.652,328 3.816,329 6.948,330 4.314,331 3.297,332 4.252,333 0.68,334 11.605,335 3.351,336 3.993,337 3.39,338 6.045,339 3.61,340 2.611,341 3.519,343 8.521,344 2.609,345 3.796,346 2.847,347 5.857,348 3.393,349 2.366,350 3.297,352 7.605,353 2.435,354 3.668,355 2.452,356 5.3,357 3.299,358 2.288,359 2.909,361 6.736,362 2.298,363 2.98,364 2.13,365 4.114,366 2.502,367 1.51,368 2.164,370 3.3,371 1.499,372 2.88,373 1.595,374 3.889,375 2.402,376 1.421,377 2.034,379 3.094,380 1.39,381 2.558,382 1.35,383 3.604,384 2.101,385 1.095,386 1.553,388 2.81,389 1.1,390 2.5,391 1.263,392 3.449,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 2.316,400 1.126,401 3.247,402 1.685,403 0.601,404 0.946,406 1.513,407 0.645,408 1.662,409 1,410 3.098,411 1.424,412 0.395,413 0.472,415 0.944,416 0.404,417 0.929,418 0.037,419 2.578,420 0.569,421 -0.419,422 -0.521,424 -1.016,425 -0.412,426 0.899,427 -0.184,428 2,429 0.446,430 -0.613,431 -0.888,433 -1.405,434 -0.642,435 0.609,436 -0.645,437 2,438 0.126,439 -0.888,440 -1.299,442 -2.127,443 -0.897,444 0.5,445 -0.904,446 1.727,447 -0.025,448 -1,449 -1.5,451 -2.347,452 -0.973,453 0.271,454 -0.963,455 1.555,456 -0.136,457 -1.128,458 -1.517,460 -2.846,461 -1.118,462 9.567,463 0.478,464 0.49,465 0.025,466 28.5,467 1.425,468 16.5,469 0.825,470 12,471 0.6,472 12.935,473 0.647,474 19.833,475 0.601,476 19.474,477 0.974,478 5.786,479 0.289,480 3.896,481 0.195,482 0.122,484 0.366,487 0.499,488 0.982,489 0.687,490 0.9,491 0.505,492 0.837,493 0.628,494 0.916,495 0.759,496 0.894,497 0.605,498 0.849,499 0.825,500 1.123,501 0.878,502 1.132,503 0.853,504 1.035,505 1.59,506 0.998,507 1.145,508 1.041,509 1.617,510 1.029,511 1.562,512 0.944,513 1.148,514 0.953,515 1.617,516 0.99,517 1.01,518 1.182,519 1.145,520 1.163,521 1.049,522 1.18,523 0.902,524 0.894,525 0.996,526 0.889,527 0.858,528 0.939,529 0.795,530 1.047,531 1.052,532 1.015,533 0.739,534 1.06,535 3,537 2.444,538 1.813,539 1.64,540 0.694,541 0.386,542 0.153,543 0.057,544 0.023,545 3478,546 9799,547 2.077,548 39.4,549 5,550 6,552 2,558 1.623,559 1.935,560 2.934,561 -0.836,563 1,565 1,567 46.872,568 1.42,569 3.192,570 4.006,571 4.476,572 4.597,573 4.658,574 2.423,575 3.384,576 4.295,577 3.027,578 575.062,579 7.362,580 5669.1,581 1,582 1,583 1,584 1,585 166.465,586 1.441,587 4.248,588 0.136,590 0.079,591 0.053,592 0.057,593 0.028,594 0.019,595 0.01,596 0.006,597 0.006,598 0.394,599 1,600 1,601 0.627,602 86.502,603 -0.001,604 -0.022,605 0.036,606 0.018,607 -0.03,608 0.029,609 -0.01,610 0.061,611 0.055,612 0.043,613 -0.02,614 0.06,615 0.011,616 -0.181,617 -0.012,618 -0.185,619 0.003,620 -0.116,621 -0.193,622 -0.039,623 -0.146,624 -0.081,625 -0.159,626 -0.099,627 -0.054,628 -0.006,629 -0.119,630 0.023,631 -0.012,632 -0.046,633 -0.001,634 -0.216,635 -0.172,636 -0.201,637 -0.041,638 -0.218,639 0.044,640 0.122,641 0.083,642 0.102,643 0.024,644 0.099,645 -0.034,646 -0.063,647 0.004,648 -0.014,649 -0.031,650 -0.003,651 1.723,652 5.547,653 0.8,654 12.4,655 1.002,656 1.103,657 2.338,658 5.464,659 0.712,660 3.135,661 3.466,662 3.784,663 4.043,664 4.29,665 4.277,666 4.317,667 4.369,668 4.407,669 4.22,670 4.586,671 0.685,672 263.31,673 3.135,674 4.673,675 5.541,676 6.428,677 7.317,678 8.212,679 9.108,680 10.008,681 10.909,682 11.812,683 3,693 1,699 8,700 1,704 3,706 12,710 2,724 33,726 15,727 1,728 22,730 35,731 17,733 11,734 2,735 4,736 4,739 3,740 4,745 1,751 1,753 15,754 2,756 3,761 2,765 4,768 1,769 1,772 13,773 3,775 3,779 1,784 0.667,785 2,795 1,802 3,806 1,823 2,832 2,836 1,840 20,846 1,862 6.1,865 2,869 10.333,870 6.45,871 4.417,872 1.981,874 2.669,875 1.399,876 1.003,877 3.038,878 9.366,879 3.466,880 4.06,881 4.668,882 5.196,883 5.719,884 5.834,885 6.153,886 6.448,887 6.78,888 6.866,889 1,890 34,891 7.426,893 3.235,894 7.908,895 13.936,897 11.506,899 2.408,900 48.167,904 153.024,905 112.507,906 16.786,908 50.29,911 112.507,912 203.314,913 16.786,914 8.825,915 2.535,916 56.857,917 100.885,918 34.023,920 129.482,922 153.024,923 129.292,924 50.29,927 153.024,928 50.29,931 29.455,932 83.052,933 16.786,935 153.024,936 67.075,937 112.507,940 153.024,941 28.729,942 83.778,944 67.075,945 153.024,946 67.075,947 112.507,949 0.583,950 0.359,951 0.198,952 0.11,953 16,954 7,955 0.057,956 2,957 1,958 1.125,959 3.163,960 155.656,961 0.125,962 16,963 86.439,968 12.499,969 4.862,970 2.114,972 67.075,973 14.132,974 4.045,978 1.939,981 332.607,982 31,987 24.884,991 1,994 33.058,995 36.408,996 0.282,997 0.633,998 0.794,999 0.887,1000 0.911,1001 0.923,1002 4.691,1003 1,1004 5.533,1005 2.81,1006 4.143,1007 4.745,1008 0.655,1009 6.385,1010 4.156,1011 5.912,1012 0.601,1013 7.122,1014 2.136,1015 3.761,1016 4.494,1018 7.38,1019 3.816,1020 7.23,1021 0.395,1022 8.82,1023 1.513,1024 5.765,1025 6.932,1026 0.356,1027 10.548,1028 5.802,1029 8.588,1030 -0.419,1031 10.581,1032 0.944,1033 6.236,1034 7.509,1036 12.37,1037 6.32,1038 9.98,1039 -0.613,1040 12.383,1041 -1.016,1042 7.712,1043 9.4,1044 0.18,1045 15.077,1046 7.782,1047 11.397,1048 -0.888,1049 14.211,1050 -1.405,1051 8.571,1052 10.376,1054 17.24,1055 8.682,1056 12.834,1057 -1,1058 16.059,1059 -2.127,1060 9.851,1061 12.029,1062 0.087,1063 19.792,1064 9.959,1065 3.297,1066 -1.128,1067 17.922,1068 -2.347,1069 10.891,1070 13.217,1072 22.11,1073 11.03,1074 2.611,1075 11.605,1076 19.796,1077 -2.846,1078 12.101,1079 14.757,1080 0.041,1081 24.603,1082 12.248,1083 2.366,1084 8.521,1085 21.678,1086 4.252,1087 13.223,1088 16.061,1090 26.992,1091 13.394,1092 2.288,1093 7.605,1094 23.569,1095 3.519,1096 14.412,1097 17.547,1098 0.019,1099 29.461,1100 14.597,1101 1.51,1102 6.736,1103 25.466,1104 3.297,1105 15.571,1106 18.915,1108 31.882,1109 15.777,1110 1.421,1111 3.3,1112 27.368,1113 2.909,1114 16.757,1115 20.377,1116 0.009,1117 34.342,1118 16.978,1119 1.095,1120 3.094,1121 29.275,1122 2.164,1123 17.933,1124 21.779,1126 36.779,1127 18.172,1128 3405,1129 5791,1130 14.622,1131 23.483,1132 33.827,1133 35.722,1134 34.739,1135 33.19,1136 33.166,1137 45.29,1138 1.36,1139 96.528,1140 33.367,1141 5.534,1142 5.816,1143 6.75,1144 5.35,1145 5.297,1146 7.252,1147 1.36,1148 19.605,1149 5.351,1150 8.688,1151 1.538,1152 1.624,1153 1.579,1154 1.509,1155 1.508,1156 2.059,1157 0.062,1158 4.388,1159 1.517,1160 4.048,1161 4.061,1162 4.012,1163 3.985,1164 7.436,1165 3.989,1166 3.856,1167 3.894,1168 3.793,1169 3.768,1170 7.418,1171 3.769,1172 3.581,1173 3.618,1174 3.499,1175 3.494,1176 4.897,1177 3.491,1178 3.194,1179 3.228,1180 3.135,1181 3.018,1182 4.687,1183 3.031,1184 3.028,1185 3.07,1186 2.913,1187 2.882,1188 4.209,1189 2.883,1190 2.973,1191 3.027,1192 2.778,1193 2.799,1194 3.834,1195 2.785,1196 2.759,1197 2.846,1198 2.619,1199 2.557,1200 3.713,1201 2.56,1202 2.656,1203 2.693,1204 2.522,1205 2.444,1206 3.624,1207 2.46,1208 0.211,1209 0.173,1210 0.316,1211 0.196,1212 0.15,1213 4.652,1214 0.193,1215 3.816,1216 0.031,1217 6.948,1218 0.527,1219 4.314,1220 0.152,1221 3.297,1222 4.252,1223 0.68,1224 11.605,1225 3.351,1226 2.007,1227 1.995,1228 2.085,1229 2.086,1230 1.257,1231 2.085,1232 1.841,1233 1.807,1234 1.961,1235 1.953,1236 1.062,1237 1.958,1238 1.58,1239 1.545,1240 1.76,1241 1.704,1242 0.839,1243 1.724,1244 1.154,1245 1.105,1246 1.455,1247 1.37,1248 0.574,1249 1.396,1250 1.001,1251 0.96,1252 1.216,1253 1.205,1254 0.291,1255 1.209,1256 0.953,1257 0.9,1258 1.179,1259 1.166,1260 0.226,1261 1.159,1262 0.734,1263 0.653,1264 1.027,1265 0.983,1266 0.06,1267 1.003,1268 0.588,1269 0.543,1270 0.887,1271 0.857,1273 0.84,1274 3.807,1276 5.13,1278 6.678,1280 8.332,1282 10.042,1284 1.724,1290 0.443,1300 22.612,1301 46.872,1302 105.346,1303 132.2,1304 147.71,1305 151.71,1306 153.71,1307 37.576,1308 6.697,1309 47.03,1310 47.03,1311 18,1312 12.332,1313 4,1314 3.322,1315 29.779,1316 54,1317 56,1318 0.278,1319 140.1,1320 248.6,1321 333.605,1322 6228,1324 14.113,1325 0.706,1326 0.554,1327 14.113,1328 11.09,1329 9.682,1330 0.44,1331 0.293,1332 6.408,1333 9.479,1334 6.202,1335 5.158,1336 9.682,1337 6.453,1338 8.593,1339 0.277,1340 0.156,1341 8.593,1342 4.845,1343 7.736,1344 0.18,1345 0.083,1346 7.736,1347 3.587,1348 6.307,1349 0.113,1350 0.044,1351 6.307,1352 2.471,1353 5.211,1354 0.072,1355 0.024,1356 5.211,1357 1.722,1358 0.414,1359 59.744,1360 0.262,1361 19.464,1362 0.826,1363 106,1364 313.116,1365 111.595,1366 307.32,1367 415.07,1368 286,1369 127,1370 296.385,1371 133.15,1372 305.323,1373 446.41,1374 287,1375 6.31} {0 CHEMBL92933,1 1.431,2 9.615,3 3.305,4 10.924,5 100.428,6 6.97,7 0.222,8 3.98,9 4.091,10 3.469,11 3.528,12 5.089,13 3.487,14 4.535,15 4.72,16 3.805,17 3.894,18 5.612,19 3.832,20 4.763,21 4.943,22 3.947,23 4.078,24 5.857,25 4.01,26 4.933,27 5.122,28 3.951,29 4.168,30 6.056,31 4.075,32 5.04,33 5.261,34 3.939,35 4.204,36 6.171,37 4.089,38 5.02,39 5.255,40 3.898,41 4.178,42 6.052,43 4.05,44 5.024,45 5.287,46 3.767,47 4.073,48 6.025,49 3.929,50 4.862,51 5.13,52 3.56,53 3.839,54 5.883,55 3.695,56 0.001,57 0.661,58 10.798,59 5.205,60 7.951,61 6.708,62 0.22,63 1.055,64 20.578,65 8.434,66 32.698,67 11.322,68 0.219,69 1.289,70 26.142,71 10.498,72 45.824,73 13.806,74 0.34,75 1.484,76 31.614,77 12.085,78 80.76,79 15.949,80 0.536,81 1.61,82 36.127,83 13.18,84 122.259,85 17.924,86 0.358,87 1.61,88 35.028,89 13.047,90 80.042,91 18.212,92 0.424,93 1.554,94 36.164,95 12.492,96 90.873,97 17.832,98 0.52,99 1.267,100 31.387,101 10.293,102 83.198,103 14.678,104 56,105 37,106 0.242,107 0.523,108 0.701,109 0.794,110 0.817,111 0.851,112 3.304,113 0.983,114 -3.78,115 -3.74,116 -3.56,118 41.2,119 4,120 3,121 1,124 1,134 4,140 2,141 1,143 2,152 2,154 1,168 12,171 1,172 9,180 13,186 11,194 16,198 10,206 18,209 1,210 8,218 15,221 1,222 10,229 12,233 1,234 7,242 7,246 2,247 6,255 4,258 1,259 4,267 2,270 1188,271 16.916,272 16.916,273 16.916,274 16.916,275 16.916,276 15.173,277 13.723,278 10.067,279 17.048,280 13.223,281 13.223,282 13.223,283 13.223,284 13.223,285 10.587,286 15.134,287 4.738,288 13.357,289 4.242,290 2.583,291 1.53,292 0.981,293 0.849,294 0.647,295 3.961,298 1,299 1,300 1,301 505,302 3.808,306 192.51,313 1.29,314 35.964,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 56.5,326 250,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 2.443,334 11.949,335 3.381,336 4.117,337 3.627,338 6.35,339 3.822,340 2.818,341 3.57,342 0.68,343 9.419,344 2.828,345 3.74,346 3.426,347 5.791,348 3.344,349 2.303,350 3.125,351 0.286,352 7.292,353 2.393,354 3.618,355 3.158,356 5.65,357 3.236,358 2.239,359 2.806,361 7.085,362 2.23,363 3.55,364 2.473,365 4.659,366 3.196,367 2.234,368 2.71,370 5.184,371 2.12,372 3.067,373 2.136,374 4.494,375 2.771,376 1.778,377 2.218,379 4.28,380 1.762,381 2.708,382 1.993,383 3.721,384 2.499,385 1.518,386 1.721,388 3.168,389 1.483,390 2.5,391 1.783,392 3.618,393 2.079,394 1.099,395 1.5,397 2.562,398 1.072,399 2.429,400 1.344,401 3.603,402 1.956,403 1,404 1.312,406 2.136,407 0.953,408 2.253,409 1.191,410 3.328,411 1.709,412 0.677,413 0.921,415 1.542,416 0.673,417 1.745,418 1.136,419 3.247,420 1.642,421 0.618,422 0.693,424 1.464,425 0.643,426 1.486,427 1,428 2.822,429 1.306,430 0.292,431 0.328,433 0.668,434 0.294,435 1.132,436 0.587,437 2.286,438 0.88,439 -0.134,440 -0.149,442 -0.293,443 -0.133,444 0.848,445 0.313,446 2.192,447 0.561,448 -0.434,449 -0.516,451 -1.008,452 -0.431,453 0.543,454 -0.085,455 2,456 0.14,457 -0.837,458 -0.982,460 -1.871,461 -0.803,462 12.233,463 0.471,464 0.745,465 0.029,466 28.75,467 1.106,468 13.5,469 0.519,470 15.25,471 0.587,472 26.489,473 1.019,474 29.167,475 0.572,476 22.57,477 0.868,478 5.637,479 0.217,480 6.704,481 0.258,482 0.245,484 0.368,487 0.599,488 1.271,489 0.833,490 1.203,491 0.534,492 1.081,493 0.662,494 0.979,495 0.777,496 0.953,497 0.523,498 0.893,499 1.017,500 1.052,501 0.961,502 1.043,503 0.909,504 1.001,505 1.2,506 1.135,507 1.178,508 1.15,509 1.348,510 1.161,511 1.069,512 1.007,513 1.095,514 1.009,515 1.186,516 1.052,517 0.812,518 1.118,519 1.016,520 1.101,521 0.875,522 1.096,523 0.868,524 1.016,525 0.979,526 1.009,527 0.897,528 1.009,529 0.955,530 0.92,531 0.976,532 0.943,533 0.865,534 0.956,535 4.5,536 0.149,537 3.333,538 2.313,539 1.898,540 1.028,541 0.692,542 0.455,543 0.316,544 0.247,545 6563,546 19469,547 1.91,548 49,549 14,550 4,552 2,554 3,555 2,558 1.698,559 1.733,560 3.17,561 -0.798,562 1,563 1,567 72.959,568 1.431,569 3.089,570 4.142,571 4.691,572 4.824,573 5.025,574 2.609,575 4.085,576 4.664,577 3.392,578 1102.46,579 8.128,580 13703.5,582 1,584 1,585 289.294,586 1.57,587 4.592,588 0.167,589 0.009,590 0.09,591 0.055,592 0.047,593 0.026,594 0.019,595 0.015,596 0.013,597 0.012,598 0.453,599 0.33,600 1,601 1.775,602 125.848,604 -0.082,605 0.03,606 -0.043,607 -0.02,608 -0.008,609 0.108,610 0.098,611 0.149,612 0.107,613 0.092,614 0.133,615 -0.089,616 -0.001,617 -0.014,618 0.009,619 -0.04,620 0.01,621 -0.164,622 -0.107,623 -0.213,624 -0.125,625 -0.161,626 -0.17,627 -0.071,628 -0.019,629 -0.119,630 -0.016,631 -0.053,632 -0.068,633 -0.016,634 -0.12,635 -0.065,636 -0.106,637 -0.036,638 -0.099,639 -0.01,640 -0.053,641 -0.003,642 -0.059,643 -0.038,644 -0.034,645 0.059,646 0.013,647 0.03,648 -0.018,649 -0.008,651 1.961,652 5.927,653 0.462,654 23.207,655 1,656 1.124,657 2.55,658 6.503,659 0.646,660 3.332,661 3.638,662 3.892,663 4.094,664 4.29,665 4.304,666 4.29,667 4.29,668 4.263,669 4.111,670 5.884,671 0.612,672 355.47,673 3.332,674 4.86,675 5.7,676 6.572,677 7.442,678 8.328,679 9.213,680 10.107,681 11.001,682 11.9,683 2,693 1,699 4,700 1,704 1,706 6,724 51,726 11,728 27,730 52,731 21,733 5,736 6,739 2,740 2,745 4,751 3,753 12,754 9,755 1,756 5,761 3,765 7,768 1,769 1,772 25,773 5,775 5,779 1,784 1,785 4,795 1,802 2,814 2,819 1,823 4,832 2,836 4,840 26,846 4,848 1,850 1,862 7.8,865 3,867 1,869 15,870 10.533,871 5.889,872 3.231,874 1.623,875 1.247,876 0.916,877 6.768,878 8.199,879 3.584,880 4.103,881 4.593,882 5.011,883 5.443,884 5.539,885 5.71,886 5.924,887 6.139,888 6.19,889 1,890 42,891 9.694,893 4.037,894 7.968,895 18.231,897 14.48,899 2.468,900 64.167,902 1,903 1,904 294.278,905 117.93,906 16.786,908 86.435,911 117.93,912 380.712,913 16.786,914 35.301,915 12.196,916 18.952,917 133.221,918 45.023,920 270.735,922 294.278,923 134.716,924 86.435,927 270.735,928 109.977,931 65.592,932 52.339,933 16.786,935 294.278,936 103.22,937 117.93,940 294.278,941 45.582,942 72.348,944 103.22,945 294.278,946 103.22,947 117.93,949 0.578,950 0.339,951 0.173,952 0.094,953 15,954 9,955 0.154,956 8,958 1,959 3.564,960 209.609,962 12,963 122.211,968 19.942,969 8.824,970 4.633,972 103.22,973 7.198,974 4.171,978 0.919,981 515.428,982 35,987 36.338,991 1.71,994 51.014,995 57.318,996 0.252,997 0.545,998 0.73,999 0.827,1000 0.85,1001 0.886,1002 4.824,1003 1.099,1004 5.7,1005 3.168,1006 4.317,1007 4.787,1008 2.482,1009 6.538,1010 4.312,1011 6.031,1012 1,1013 7.291,1014 2.562,1015 4.007,1016 4.649,1017 2.243,1018 7.561,1019 4.046,1020 7.348,1021 0.677,1022 8.993,1023 2.136,1024 5.927,1025 6.897,1026 3.85,1027 10.722,1028 5.935,1029 8.703,1030 0.618,1031 10.76,1032 1.542,1033 6.447,1034 7.563,1035 4.269,1036 12.579,1037 6.508,1038 10.093,1039 0.292,1040 12.569,1041 1.464,1042 7.873,1043 9.324,1044 5.487,1045 15.302,1046 7.914,1047 11.509,1048 -0.134,1049 14.405,1050 0.668,1051 8.764,1052 10.355,1053 6.158,1054 17.499,1055 8.848,1056 12.946,1057 -0.434,1058 16.263,1059 -0.293,1060 10.021,1061 11.927,1062 7.208,1063 20.07,1064 10.1,1065 3.334,1066 -0.837,1067 18.135,1068 -1.008,1069 11.08,1070 13.145,1071 7.992,1072 22.419,1073 11.19,1074 2.818,1075 11.949,1076 20.019,1077 -1.871,1078 12.283,1079 14.634,1080 8.963,1081 24.931,1082 12.399,1083 2.303,1084 9.419,1085 21.913,1086 4.196,1087 13.417,1088 15.949,1089 9.802,1090 27.349,1091 13.556,1092 2.239,1093 7.292,1094 23.814,1095 3.57,1096 14.607,1097 17.402,1098 10.734,1099 29.839,1100 14.757,1101 2.234,1102 7.085,1103 25.722,1104 3.125,1105 15.774,1106 18.77,1107 11.599,1108 32.289,1109 15.942,1110 1.778,1111 5.184,1112 27.636,1113 2.806,1114 16.963,1115 20.207,1116 12.512,1117 34.771,1118 17.146,1119 1.518,1120 4.28,1121 29.555,1122 2.71,1123 18.146,1124 21.603,1125 13.391,1126 37.236,1127 18.345,1128 6821,1129 11814,1130 16.819,1131 32.961,1132 40.671,1133 42.936,1134 42.885,1135 39.816,1136 39.817,1137 50.2,1138 6.818,1139 113.499,1140 39.661,1141 5.627,1142 5.873,1143 6.85,1144 5.385,1145 5.334,1146 7.196,1147 4.174,1148 19.949,1149 5.381,1150 17.055,1151 1.506,1152 1.59,1153 1.588,1154 1.475,1155 1.475,1156 1.859,1157 0.253,1158 4.204,1159 1.469,1160 4.026,1161 4.046,1162 3.98,1163 3.951,1164 7.438,1165 3.954,1166 3.83,1167 3.861,1168 3.772,1169 3.734,1170 7.432,1171 3.738,1172 3.693,1173 3.739,1174 3.571,1175 3.529,1176 7.418,1177 3.523,1178 3.511,1179 3.55,1180 3.393,1181 3.325,1182 4.896,1183 3.332,1184 3.386,1185 3.45,1186 3.235,1187 3.232,1188 4.457,1189 3.232,1190 3.225,1191 3.286,1192 3.112,1193 3.046,1194 4.374,1195 3.042,1196 3.114,1197 3.2,1198 2.926,1199 2.909,1200 4.119,1201 2.898,1202 2.922,1203 3.002,1204 2.668,1205 2.704,1206 3.925,1207 2.684,1208 0.173,1209 0.143,1210 0.261,1211 0.161,1212 0.123,1213 4.678,1214 0.155,1215 3.873,1216 0.09,1217 7.048,1218 0.443,1219 4.349,1220 0.125,1221 3.334,1222 4.196,1223 2.443,1224 11.949,1225 3.381,1226 1.978,1227 1.96,1228 2.086,1229 2.073,1230 1.397,1231 2.077,1232 1.808,1233 1.778,1234 1.947,1235 1.931,1236 1.171,1237 1.935,1238 1.669,1239 1.616,1240 1.89,1241 1.863,1242 1.024,1243 1.872,1244 1.456,1245 1.413,1246 1.711,1247 1.69,1248 0.814,1249 1.692,1250 1.391,1251 1.335,1252 1.683,1253 1.585,1254 0.752,1255 1.624,1256 1.219,1257 1.151,1258 1.548,1259 1.442,1260 0.683,1261 1.479,1262 1.128,1263 1.039,1264 1.523,1265 1.386,1266 0.595,1267 1.438,1268 0.913,1269 0.832,1270 1.259,1271 1.19,1272 0.434,1273 1.213,1274 4.007,1276 5.313,1278 6.823,1280 8.44,1282 10.121,1284 6.529,1290 2.522,1292 4.974,1294 -0.194,1300 31.202,1301 72.959,1302 157.545,1303 211.255,1304 239.255,1305 246.009,1306 256.274,1307 82.923,1308 6.575,1309 73.33,1310 73.33,1311 12,1312 12.424,1313 3.585,1314 3.17,1315 54.571,1316 84,1317 114,1318 0.302,1319 196.783,1320 361.28,1321 471.91,1322 4769,1324 19.267,1325 0.741,1326 0.608,1327 19.267,1328 15.795,1329 12.341,1330 0.457,1331 0.328,1332 8.759,1333 11.916,1334 8.367,1335 7.017,1336 12.341,1337 8.851,1338 10.967,1339 0.296,1340 0.179,1341 10.967,1342 6.622,1343 9.1,1344 0.19,1345 0.101,1346 9.1,1347 4.861,1348 6.81,1349 0.115,1350 0.055,1351 6.81,1352 3.262,1353 5.193,1354 0.072,1355 0.031,1356 5.193,1357 2.235,1358 0.462,1359 77.187,1360 0.244,1361 24.812,1362 0.868,1363 128,1364 412.587,1365 139.463,1366 390.125,1367 512.01,1368 362,1369 149,1370 352.476,1371 159.137,1372 357.084,1373 516.26,1374 334,1375 5.824} {0 CHEMBL93265,1 1.404,2 7.783,3 2.926,4 8.562,5 91.276,6 6.814,7 0.25,8 3.877,9 3.993,10 3.343,11 3.439,12 4.978,13 3.389,14 4.422,15 4.61,16 3.671,17 3.824,18 5.43,19 3.749,20 4.674,21 4.867,22 3.865,23 4.015,24 5.74,25 3.935,26 4.861,27 5.057,28 3.87,29 4.091,30 5.984,31 3.995,32 4.938,33 5.156,34 3.856,35 4.116,36 6.093,37 4.002,38 4.915,39 5.149,40 3.811,41 4.088,42 5.97,43 3.959,44 4.92,45 5.184,46 3.646,47 3.964,48 5.962,49 3.815,50 4.736,51 5.014,52 3.271,53 3.651,54 5.867,55 3.472,56 0.029,57 0.6,58 10.037,59 4.71,60 9.934,61 6.174,62 0.108,63 0.969,64 18.294,65 7.736,66 21.937,67 10.503,68 0.122,69 1.208,70 23.797,71 9.92,72 31.742,73 13.411,74 0.31,75 1.381,76 29.684,77 11.244,78 72.078,79 15.026,80 0.479,81 1.465,82 32.585,83 11.918,84 110.5,85 16.247,86 0.31,87 1.465,88 31.459,89 11.785,90 67.166,91 16.51,92 0.365,93 1.408,94 32.378,95 11.226,96 75.585,97 16.083,98 0.474,99 1.105,100 27.63,101 8.941,102 93.633,103 12.874,104 41,105 33,106 0.244,107 0.55,108 0.72,109 0.789,110 0.814,111 0.853,112 3.189,113 0.996,114 -3.38,115 -3.37,116 -3.22,118 41.3,119 3,120 3,121 1,124 1,134 4,140 2,141 1,143 2,152 2,168 12,172 6,177 1,180 13,186 10,191 1,194 16,198 8,203 1,206 17,209 1,210 6,215 1,218 14,221 1,222 7,227 2,229 11,233 1,234 4,239 2,242 6,247 1,250 2,252 3,255 2,262 1,264 2,270 768,271 15.217,272 15.217,273 15.217,274 15.217,275 15.217,276 13.682,277 10.781,278 9.102,279 15.272,280 11.705,281 11.705,282 11.705,283 11.705,284 11.705,285 9.39,286 12.297,287 4.214,288 11.751,289 4.12,290 2.36,291 1.381,292 0.984,293 0.838,294 0.614,295 3.843,298 1,299 1,300 1,301 360,302 3.24,306 162.365,313 1.047,314 30.833,315 1,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 49.5,326 179,327 4.678,328 3.873,329 7.048,330 4.349,331 3.334,332 4.196,333 0.68,334 11.949,335 3.381,336 4.117,337 3.426,338 6.35,339 3.822,340 2.818,341 3.57,343 9.419,344 2.828,345 3.74,346 3.158,347 5.791,348 3.344,349 2.303,350 3.125,352 7.292,353 2.393,354 3.618,355 2.473,356 5.65,357 3.236,358 2.238,359 2.806,361 7.085,362 2.23,363 3.068,364 2.135,365 4.495,366 2.787,367 1.799,368 2.219,370 4.281,371 1.775,372 2.711,373 1.893,374 3.711,375 2.514,376 1.544,377 1.729,379 3.094,380 1.494,381 2.5,382 1.735,383 3.618,384 2.078,385 1.104,386 1.5,388 2.49,389 1.071,390 2.425,391 1.273,392 3.596,393 1.956,394 1,395 1.308,397 2.136,398 0.953,399 2.24,400 1.184,401 3.288,402 1.705,403 0.649,404 0.916,406 1.464,407 0.666,408 1.665,409 1.042,410 3.247,411 1.615,412 0.618,413 0.654,415 1.301,416 0.621,417 1.472,418 1,419 2.674,420 1.279,421 0.267,422 0.299,424 0.544,425 0.267,426 1.067,427 0.362,428 2.274,429 0.806,430 -0.214,431 -0.243,433 -0.413,434 -0.215,435 0.718,436 -0.212,437 2,438 0.441,439 -0.519,440 -0.605,442 -1.06,443 -0.499,444 0.5,445 -0.51,446 1.843,447 0.027,448 -0.939,449 -1.143,451 -1.94,452 -0.9,453 0.33,454 -0.628,455 1.701,456 -0.027,457 -1,458 -1.478,460 -2.347,461 -0.975,462 10.9,463 0.474,464 0.601,465 0.026,466 25.25,467 1.098,468 12,469 0.522,470 13.25,471 0.576,472 22.86,473 0.994,474 25.7,475 0.559,476 18.92,477 0.823,478 4.859,479 0.211,480 6.126,481 0.266,482 0.229,484 0.367,487 0.673,488 1.189,489 0.884,490 1.12,491 0.649,492 1.049,493 0.697,494 0.984,495 0.829,496 0.96,497 0.644,498 0.918,499 0.753,500 1.086,501 0.852,502 1.077,503 0.769,504 0.995,505 1.293,506 1.1,507 1.148,508 1.111,509 1.398,510 1.111,511 1.191,512 1.011,513 1.111,514 1.008,515 1.273,516 1.044,517 0.866,518 1.133,519 1.022,520 1.109,521 0.905,522 1.093,523 0.939,524 1.048,525 1.005,526 1.038,527 0.945,528 1.029,529 1.067,530 0.999,531 1.09,532 1.031,533 1.022,534 1.056,535 3.5,537 3.111,538 2.188,539 1.818,540 0.972,541 0.692,542 0.455,543 0.217,544 0.067,545 4352,546 12031,547 1.922,548 50,549 14,550 4,552 2,553 1,555 2,558 1.669,559 1.747,560 2.922,561 -0.369,562 1,563 1,567 64.576,568 1.404,569 3.163,570 4.142,571 4.539,572 4.686,573 4.909,574 2.366,575 3.762,576 4.492,577 3.072,578 777.33,579 7.797,580 8733.09,582 1,584 1,585 254.084,586 1.565,587 4.417,588 0.146,590 0.094,591 0.056,592 0.049,593 0.027,594 0.02,595 0.017,596 0.014,597 0.011,598 0.434,599 0.33,600 1,601 1.489,602 104.797,603 -0.039,604 -0.006,605 0.009,606 0.033,607 -0.05,608 0.027,609 -0.019,610 0.105,611 0.093,612 0.111,613 -0.003,614 0.12,615 0.012,616 -0.035,617 0.081,618 -0.017,619 0.021,620 0.035,621 -0.155,622 -0.084,623 -0.165,624 -0.097,625 -0.152,626 -0.127,627 -0.067,628 -0.021,629 -0.121,630 -0.018,631 -0.05,632 -0.07,633 -0.005,634 -0.132,635 -0.062,636 -0.118,637 -0.024,638 -0.104,639 -0.001,640 -0.087,641 -0.024,642 -0.096,643 -0.015,644 -0.068,645 0.073,646 -0.081,647 -0.076,648 -0.126,649 0.054,650 -0.123,651 1.715,652 5.801,653 0.522,654 16.442,655 0.996,656 1.124,657 2.153,658 4.635,659 0.647,660 3.219,661 3.526,662 3.829,663 4.043,664 4.248,665 4.263,666 4.234,667 4.174,668 4.043,669 3.761,670 4.933,671 0.608,672 313.43,673 3.219,674 4.745,675 5.602,676 6.482,677 7.367,678 8.261,679 9.158,680 10.059,681 10.961,682 11.865,683 2.2,693 1,699 4,700 1,704 1,706 6,724 46,726 10,728 24,730 47,731 19,733 5,736 6,739 2,740 2,745 4,751 3,753 11,754 8,755 1,756 4,761 2,765 6,768 1,769 1,772 23,773 4,774 1,775 4,779 1,784 1,785 3,786 1,795 1,802 2,814 2,823 4,830 1,832 2,836 3,840 23,845 1,846 4,850 1,862 6.5,863 1,865 2,869 13.167,870 9.15,871 5.306,872 2.914,874 1.687,875 1.264,876 0.907,877 5.626,878 8.079,879 3.466,880 3.998,881 4.551,882 4.984,883 5.426,884 5.523,885 5.693,886 5.891,887 6.073,888 6.082,889 1,890 39,891 8.584,893 3.606,894 7.935,895 16.245,897 13.123,899 2.435,900 56,903 1,904 258.964,905 97.321,906 16.786,908 92.973,911 97.321,912 351.937,913 16.786,914 26.476,915 7.604,916 61.636,917 100.885,918 34.023,920 235.422,922 258.964,923 114.107,924 92.973,927 235.422,928 73.832,929 42.683,931 52.174,932 45.147,933 16.786,935 258.964,936 109.759,937 97.321,940 258.964,941 33.798,942 63.523,944 109.759,945 258.964,946 109.759,947 97.321,949 0.573,950 0.355,951 0.187,952 0.103,953 14,954 8,955 0.128,956 6,958 1,959 3.257,960 181.241,962 12,963 102.042,968 17.304,969 7.478,970 3.484,972 109.759,973 7.226,974 4.152,978 0.938,980 42.683,981 466.044,982 31,987 25.235,991 2.105,994 45.803,995 51.694,996 0.254,997 0.573,998 0.75,999 0.822,1000 0.848,1001 0.889,1002 4.705,1003 1,1004 5.602,1005 2.49,1006 4.205,1007 4.682,1008 0.655,1009 6.466,1010 4.211,1011 5.914,1012 0.649,1013 7.209,1014 2.136,1015 3.892,1016 4.527,1018 7.522,1019 3.94,1020 7.238,1021 0.618,1022 8.927,1023 1.464,1024 5.838,1025 6.826,1026 0.356,1027 10.7,1028 5.867,1029 8.604,1030 0.267,1031 10.71,1032 1.301,1033 6.382,1034 7.499,1036 12.57,1037 6.455,1038 10.007,1039 -0.214,1040 12.531,1041 0.544,1042 7.816,1043 9.283,1044 0.18,1045 15.296,1046 7.876,1047 11.435,1048 -0.519,1049 14.378,1050 -0.413,1051 8.728,1052 10.324,1054 17.497,1055 8.823,1056 12.884,1057 -0.939,1058 16.243,1059 -1.06,1060 9.99,1061 11.907,1062 0.087,1063 20.068,1064 10.083,1065 3.334,1066 -1,1067 18.121,1068 -1.94,1069 11.061,1070 13.13,1072 22.418,1073 11.179,1074 2.818,1075 11.949,1076 20.009,1077 -2.347,1078 12.267,1079 14.624,1080 0.041,1081 24.931,1082 12.392,1083 2.303,1084 9.419,1085 21.906,1086 4.196,1087 13.407,1088 15.943,1090 27.349,1091 13.551,1092 2.238,1093 7.292,1094 23.81,1095 3.57,1096 14.599,1097 17.398,1098 0.019,1099 29.839,1100 14.754,1101 1.799,1102 7.085,1103 25.719,1104 3.125,1105 15.769,1106 18.767,1108 32.289,1109 15.94,1110 1.544,1111 4.281,1112 27.634,1113 2.806,1114 16.96,1115 20.205,1116 0.009,1117 34.771,1118 17.144,1119 1.104,1120 3.094,1121 29.553,1122 2.219,1123 18.144,1124 21.601,1126 37.236,1127 18.344,1128 4565,1129 7641,1130 15.027,1131 29.745,1132 36.052,1133 38.079,1134 38.588,1135 35.369,1136 35.346,1137 44.642,1138 1.36,1139 102.108,1140 35.356,1141 5.596,1142 5.873,1143 6.956,1144 5.384,1145 5.334,1146 7.196,1147 1.36,1148 19.949,1149 5.381,1150 14.117,1151 1.502,1152 1.587,1153 1.608,1154 1.474,1155 1.473,1156 1.86,1157 0.057,1158 4.254,1159 1.473,1160 4.025,1161 4.045,1162 3.979,1163 3.95,1164 7.436,1165 3.954,1166 3.83,1167 3.861,1168 3.771,1169 3.734,1170 7.418,1171 3.738,1172 3.658,1173 3.718,1174 3.502,1175 3.517,1176 6.456,1177 3.504,1178 3.417,1179 3.478,1180 3.276,1181 3.298,1182 4.896,1183 3.284,1184 3.261,1185 3.323,1186 3.131,1187 3.074,1188 4.382,1189 3.07,1190 3.135,1191 3.21,1192 2.973,1193 2.917,1194 4.131,1195 2.913,1196 2.941,1197 3.02,1198 2.704,1199 2.721,1200 3.959,1201 2.706,1202 2.839,1203 2.9,1204 2.643,1205 2.634,1206 3.814,1207 2.628,1208 0.195,1209 0.161,1210 0.294,1211 0.181,1212 0.139,1213 4.678,1214 0.175,1215 3.873,1216 0.028,1217 7.048,1218 0.498,1219 4.349,1220 0.141,1221 3.334,1222 4.196,1223 0.68,1224 11.949,1225 3.381,1226 1.978,1227 1.96,1228 2.086,1229 2.073,1230 1.395,1231 2.076,1232 1.808,1233 1.778,1234 1.947,1235 1.931,1236 1.166,1237 1.934,1238 1.661,1239 1.602,1240 1.888,1241 1.842,1242 1.02,1243 1.863,1244 1.431,1245 1.373,1246 1.7,1247 1.603,1248 0.811,1249 1.639,1250 1.246,1251 1.181,1252 1.561,1253 1.486,1254 0.733,1255 1.512,1256 1.134,1257 1.048,1258 1.532,1259 1.396,1260 0.595,1261 1.445,1262 0.929,1263 0.851,1264 1.27,1265 1.209,1266 0.427,1267 1.23,1268 0.821,1269 0.756,1270 1.115,1271 1.072,1272 0.186,1273 1.087,1274 3.892,1276 5.198,1278 6.727,1280 8.367,1282 10.068,1284 5.164,1289 9.03,1290 2.308,1294 -0.158,1300 27.961,1301 64.576,1302 145.515,1303 190.535,1304 208.8,1305 215.555,1306 225.819,1307 68.05,1308 6.392,1309 67.26,1310 67.26,1311 12,1312 12.385,1313 3.459,1314 3,1315 44.673,1316 64,1317 85,1318 0.34,1319 176.529,1320 320.53,1321 422.492,1322 3654,1324 16.983,1325 0.738,1326 0.605,1327 16.983,1328 13.926,1329 10.985,1330 0.458,1331 0.332,1332 7.904,1333 10.694,1334 7.574,1335 6.35,1336 10.985,1337 7.97,1338 9.431,1339 0.286,1340 0.182,1341 9.431,1342 6.005,1343 8.422,1344 0.187,1345 0.102,1346 8.422,1347 4.569,1348 6.331,1349 0.113,1350 0.055,1351 6.331,1352 3.056,1353 4.844,1354 0.07,1355 0.03,1356 4.844,1357 2.088,1358 0.504,1359 68.273,1360 0.258,1361 21.917,1362 1.028,1363 114,1364 333.266,1365 121.034,1366 320.905,1367 423.93,1368 298,1369 135,1370 290.901,1371 142.147,1372 299.054,1373 435.26,1374 280,1375 5.959} {0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,118 42.6,119 1,123 1,124 5,140 10,141 4,142 2,143 3,144 1,148 1,154 1,168 11,171 1,172 7,175 3,177 5,180 12,185 1,186 6,191 5,194 7,197 1,198 13,202 1,203 6,206 3,210 9,215 3,218 5,221 1,222 6,225 4,227 2,229 11,233 1,234 3,237 1,239 2,242 13,246 2,247 5,252 4,255 11,259 8,264 2,267 6,270 2915,271 25.256,272 25.256,273 25.256,274 25.256,275 25.256,276 22.252,277 30.255,278 15.065,279 25.762,280 20.276,281 20.276,282 20.276,283 20.276,284 20.276,285 15.83,286 48.345,287 7.248,288 21.073,289 4.619,290 2.571,291 1.397,292 0.809,293 0.581,294 0.581,295 4.35,300 1,301 1361,302 3.317,306 678.363,313 2.71,314 24.81,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 78.5,326 619,327 4.315,328 3.573,329 6.185,330 3.93,331 2.959,332 3.96,333 1.058,334 9.244,335 2.89,336 4.24,337 3.072,338 6.115,339 3.858,340 2.876,341 3.87,342 0.916,343 8.969,344 2.818,345 4.165,346 3.043,347 6.033,348 3.787,349 2.798,350 3.759,351 0.8,352 8.628,353 2.765,354 3.82,355 2.87,356 5.588,357 3.604,358 2.658,359 3.263,360 0.4,361 7.698,362 2.52,363 3.74,364 2.687,365 5.313,366 3.344,367 2.392,368 3.117,369 0.172,370 6.87,371 2.27,372 3.544,373 2.462,374 5.204,375 3.267,376 2.32,377 2.784,379 6.483,380 2.183,381 3.434,382 2.335,383 5.127,384 3.087,385 2.123,386 2.551,388 6.246,389 2.046,390 3.203,391 2.27,392 4.806,393 2.861,394 1.928,395 2.486,397 5.438,398 1.786,399 3.033,400 1.869,401 4.413,402 2.731,403 1.773,404 2.052,406 4.415,407 1.697,408 2.857,409 1.829,410 4.15,411 2.412,412 1.441,413 2,415 3.703,416 1.398,417 2.744,418 1.543,419 4.047,420 2.282,421 1.265,422 1.806,424 3.364,425 1.276,426 2.709,427 1.262,428 3.541,429 2.207,430 1.238,431 1.75,433 2.792,434 1.197,435 2.5,436 1.146,437 3.429,438 2,439 1,440 1.5,442 2.387,443 1,444 2.5,445 1,446 3.414,447 1.967,448 1,449 1.5,451 2.275,452 0.965,453 2.5,454 1,455 3.414,456 1.961,457 1,458 1.5,460 2.275,461 0.958,462 17.633,463 0.477,464 0.814,465 0.022,466 51.25,467 1.385,468 26.5,469 0.716,470 24.75,471 0.669,472 29.967,473 0.81,474 38.767,475 0.57,476 41.044,477 1.109,478 10.312,479 0.279,480 7.718,481 0.209,482 0.076,484 0.301,487 0.848,488 1.433,489 0.808,490 1.104,491 0.626,492 0.972,493 0.991,494 0.994,495 0.919,496 0.878,497 0.591,498 0.877,499 1.061,500 1.208,501 1.096,502 1.165,503 0.867,504 1.137,505 0.973,506 1.042,507 0.968,508 1.04,509 0.971,510 1.011,511 1.198,512 0.876,513 0.825,514 0.754,515 1.213,516 0.747,517 0.988,518 0.96,519 1.076,520 1.036,521 1.053,522 1.059,523 0.958,524 0.93,525 0.951,526 0.966,527 1.182,528 0.964,529 1.025,530 1.05,531 0.997,532 1.062,533 1.329,534 1.041,535 7.5,536 0.206,537 3.556,538 1.875,539 1.791,540 0.938,541 0.726,542 0.668,543 0.358,544 0.262,545 25355,546 58418,547 2.133,548 45.6,549 3,550 23,552 3,553 2,558 1.776,559 2.037,560 4.006,561 0.135,567 99.834,568 1.468,569 3.516,570 4.69,571 5.278,572 5.506,573 5.506,574 3.506,575 4.703,576 5.178,577 4.179,578 2783.16,579 9.086,580 48375,585 413.947,586 1.241,587 5.159,588 0.183,589 0.006,590 0.063,591 0.033,592 0.037,593 0.018,594 0.015,595 0.015,596 0.008,597 0.007,598 0.385,599 0.33,600 0.75,601 0.435,602 208.703,603 -0.022,604 -0.243,605 0.063,606 -0.075,607 -0.021,608 -0.009,609 0.046,610 0.146,611 0.024,612 0.089,613 0.102,614 0.061,615 -0.097,616 -0.145,617 -0.151,618 -0.173,619 -0.002,620 -0.168,621 0.021,622 -0.089,623 0.03,624 -0.055,625 0.075,626 -0.019,627 -0.065,628 0.072,629 0.198,630 0.214,631 0.019,632 0.235,633 0.047,634 0.098,635 -0.115,636 -0.056,637 -0.036,638 -0.097,639 0.03,640 0.03,641 0.033,642 0.04,643 -0.028,644 0.037,645 0.066,646 -0.067,647 -0.022,648 -0.052,649 0.048,650 -0.049,651 1.809,652 5.93,653 0.811,654 52.079,655 0.995,656 1.128,657 2.907,658 8.452,659 0.671,660 3.738,661 4.043,662 4.277,663 4.5,664 4.754,665 4.736,666 4.868,667 4.997,668 5.069,669 5.165,670 9.44,671 0.635,672 493.67,673 3.738,674 5.273,675 6.107,676 6.965,677 7.812,678 8.671,679 9.522,680 10.381,681 11.235,682 12.095,683 10.3,686 2,690 1,691 1,693 3,699 13,700 3,704 8,706 24,712 1,717 1,724 68,726 25,727 2,728 41,730 72,731 29,733 21,734 5,735 7,736 1,739 5,740 5,745 1,753 22,754 7,756 1,761 1,765 1,772 31,773 8,774 2,775 8,779 7,784 1,785 1,795 1,796 1,802 5,828 2,832 5,836 2,840 37,846 5,847 2,851 2,862 1.5,865 1,869 18.167,870 12.75,871 8.083,872 3.987,874 4.413,875 1.525,876 1.005,877 7.739,878 12.824,879 4.007,880 4.575,881 5.103,882 5.635,883 6.188,884 6.321,885 6.701,886 7.07,887 7.413,888 7.753,889 1,890 56,891 13.659,893 5.724,894 7.595,895 26.45,897 21.544,899 2.095,900 77.5,904 341.362,905 177.271,906 92.627,908 25.145,911 177.271,912 366.507,913 92.627,914 17.222,915 28.539,916 94.762,917 115.519,918 72.414,919 1.899,920 306.049,922 341.362,923 269.898,924 25.145,927 341.362,928 25.145,931 93.422,932 126.119,933 50.357,935 341.362,936 117.772,937 177.271,940 341.362,941 38.145,942 145.375,943 36.022,944 75.502,945 341.362,946 117.772,947 177.271,949 0.579,950 0.33,951 0.172,952 0.1,953 26,954 11,955 0.097,956 7,958 1,959 4.937,960 345.14,962 30,963 184.75,968 24.883,969 11.508,970 6.507,972 117.772,973 24.532,974 13.135,978 6.558,980 36.022,981 636.405,982 54,987 12.93,991 -0.143,994 67.643,995 76.68,996 0.241,997 0.578,998 0.771,999 0.867,1000 0.905,1001 0.905,1002 5.231,1003 1.928,1004 6.071,1005 6.246,1006 4.727,1007 5.263,1008 1.796,1009 6.821,1010 4.656,1011 6.413,1012 1.773,1013 7.59,1014 5.438,1015 4.205,1016 4.89,1017 0.57,1018 7.554,1019 4.108,1020 7.694,1021 1.441,1022 9.202,1023 4.415,1024 6.271,1025 7.375,1026 1.605,1027 10.61,1028 6.137,1029 9.003,1030 1.265,1031 10.868,1032 3.703,1033 6.538,1034 7.786,1035 0.581,1036 12.137,1037 6.39,1038 10.342,1039 1.238,1040 12.568,1041 3.364,1042 8.057,1043 9.747,1044 1.567,1045 14.679,1046 7.872,1047 11.701,1048 1,1049 14.29,1050 2.792,1051 8.703,1052 10.551,1053 0.515,1054 16.554,1055 8.511,1056 13.075,1057 1,1058 16.03,1059 2.387,1060 9.976,1061 12.256,1062 1.582,1063 18.895,1064 9.751,1065 2.959,1066 1,1067 17.781,1068 2.275,1069 10.818,1070 13.281,1071 0.441,1072 20.936,1073 10.586,1074 2.876,1075 9.244,1076 19.542,1077 2.275,1078 11.974,1079 14.844,1080 1.624,1081 23.192,1082 11.714,1083 2.798,1084 8.969,1085 21.311,1086 3.96,1087 12.919,1088 16,1089 0.373,1090 25.314,1091 12.648,1092 2.658,1093 8.628,1094 23.086,1095 3.87,1096 14.02,1097 17.479,1098 1.682,1099 27.535,1100 13.725,1101 2.392,1102 7.698,1103 24.865,1104 3.759,1105 15.019,1106 18.715,1107 0.314,1108 29.696,1109 14.711,1110 2.32,1111 6.87,1112 26.65,1113 3.263,1114 16.094,1115 20.144,1116 1.752,1117 31.904,1118 15.765,1119 2.123,1120 6.483,1121 28.437,1122 3.117,1123 17.122,1124 21.429,1125 0.264,1126 34.085,1127 16.777,1128 23469,1129 35900,1130 28.027,1131 45.631,1132 61.129,1133 61.824,1134 61.655,1135 60.676,1136 60.636,1137 79.069,1138 6.694,1139 168.484,1140 58.468,1141 5.315,1142 5.573,1143 5.987,1144 5.001,1145 4.959,1146 6.96,1147 2.117,1148 15.558,1149 4.89,1150 14.663,1151 1.491,1152 1.508,1153 1.504,1154 1.48,1155 1.479,1156 1.929,1157 0.163,1158 4.109,1159 1.426,1160 4.028,1161 4.068,1162 3.978,1163 3.932,1164 7.429,1165 3.936,1166 3.942,1167 3.983,1168 3.891,1169 3.852,1170 5.049,1171 3.855,1172 3.893,1173 3.932,1174 3.833,1175 3.814,1176 4.842,1177 3.816,1178 3.794,1179 3.855,1180 3.684,1181 3.604,1182 4.74,1183 3.614,1184 3.667,1185 3.724,1186 3.611,1187 3.505,1188 4.684,1189 3.524,1190 3.412,1191 3.467,1192 3.335,1193 3.214,1194 4.378,1195 3.235,1196 3.242,1197 3.335,1198 3.084,1199 3.036,1200 4.052,1201 3.031,1202 3.111,1203 3.206,1204 2.962,1205 2.941,1206 3.963,1207 2.91,1208 0.105,1209 0.087,1210 0.151,1211 0.096,1212 0.072,1213 4.315,1214 0.097,1215 3.573,1216 0.026,1217 6.185,1218 0.225,1219 3.93,1220 0.07,1221 2.959,1222 3.96,1223 1.058,1224 9.244,1225 2.89,1226 1.957,1227 1.929,1228 2.065,1229 2.075,1230 1.323,1231 2.073,1232 1.918,1233 1.886,1234 2.028,1235 2.05,1236 1.16,1237 2.045,1238 1.877,1239 1.846,1240 1.979,1241 1.995,1242 1.125,1243 1.994,1244 1.752,1245 1.681,1246 1.95,1247 1.936,1248 1.027,1249 1.946,1250 1.608,1251 1.556,1252 1.728,1253 1.794,1254 0.825,1255 1.779,1256 1.344,1257 1.291,1258 1.591,1259 1.588,1260 0.735,1261 1.587,1262 1.223,1263 1.136,1264 1.546,1265 1.48,1266 0.691,1267 1.503,1268 1.153,1269 1.064,1270 1.513,1271 1.376,1272 0.619,1273 1.429,1274 4.419,1276 5.727,1278 7.225,1280 8.801,1282 10.416,1284 4.158,1290 5.237,1291 6.294,1295 4.8,1300 43.186,1301 99.834,1302 239.113,1303 318.954,1304 358.928,1305 374.438,1306 374.438,1307 55.749,1308 8.411,1309 86.28,1310 86.28,1311 30,1312 12.647,1313 4.7,1314 3.807,1315 57.104,1316 209,1317 228,1318 0.128,1319 265.482,1320 456.33,1321 639.535,1322 68589,1324 25.614,1325 0.692,1326 0.573,1327 25.614,1328 21.185,1329 18.03,1330 0.44,1331 0.304,1332 12.293,1333 17.418,1334 11.937,1335 9.945,1336 18.03,1337 12.457,1338 16.198,1339 0.289,1340 0.168,1341 16.198,1342 9.392,1343 13.45,1344 0.189,1345 0.093,1346 13.45,1347 6.573,1348 10.811,1349 0.121,1350 0.048,1351 10.811,1352 4.278,1353 9.213,1354 0.08,1355 0.027,1356 9.213,1357 3.137,1358 0.21,1359 112.246,1360 0.189,1361 34.613,1362 0.329,1363 194,1364 510.627,1365 209.481,1366 506.189,1367 701.38,1368 476,1369 224,1370 521.411,1371 240.37,1372 535.987,1373 775.58,1374 502,1375 6.703} {0 CHEMBL94375,1 1.501,2 27.39,3 5.722,4 32.737,5 224.059,6 7.37,7 0.375,8 4.759,9 4.866,10 4.306,11 4.306,12 5.883,13 4.285,14 5.315,15 5.463,16 4.632,17 4.692,18 6.379,19 4.643,20 5.621,21 5.823,22 4.736,23 4.853,24 6.634,25 4.779,26 5.734,27 5.95,28 4.711,29 4.846,30 6.777,31 4.77,32 5.681,33 5.895,34 4.698,35 4.873,36 6.668,37 4.783,38 5.749,39 5.986,40 4.688,41 4.92,42 6.69,43 4.808,44 5.739,45 5.98,46 4.668,47 4.902,48 6.771,49 4.785,50 5.67,51 5.907,52 4.587,53 4.849,54 6.642,55 4.73,56 0.056,57 1.462,58 21.854,59 10.367,60 28.957,61 12.987,62 0.629,63 2.361,64 42.242,65 17.448,66 63.379,67 22.222,68 0.529,69 3.062,70 61.15,71 23.722,72 110.581,73 31.28,74 1.235,75 3.228,76 73.041,77 24.975,78 175.194,79 32.413,80 0.871,81 3.175,82 67.02,83 25.001,84 139.784,85 33.04,86 0.918,87 3.401,88 72.803,89 27.182,90 143.046,91 37.069,92 1.059,93 3.366,94 72.518,95 26.81,96 182.324,97 36.92,98 0.708,99 3.186,100 66.874,101 25.129,102 130.068,103 34.424,104 30,105 84,106 0.213,107 0.528,108 0.698,109 0.782,110 0.808,111 0.818,112 4.096,113 0.936,114 -4.04,115 -3.99,116 -3.78,118 43.5,120 6,121 2,124 4,126 2,127 2,133 4,140 14,141 6,142 1,143 2,154 4,168 28,171 2,172 16,175 2,177 4,180 27,186 21,190 1,191 4,194 18,197 1,198 24,201 1,203 4,206 15,210 16,213 2,215 5,218 22,221 1,222 11,225 1,227 6,229 29,233 5,234 12,239 7,242 34,247 5,252 5,255 30,258 4,259 10,262 4,264 6,267 24,270 10599,271 40.758,272 40.758,273 40.758,274 40.758,275 40.758,276 36.842,277 45.15,278 24.823,279 41.123,280 31.51,281 31.51,282 31.51,283 31.51,284 31.51,285 25.579,286 47.157,287 11.7,288 32.114,289 5.254,290 3.032,291 1.832,292 1.236,293 1.056,294 0.981,295 4.804,301 3505,302 5.339,306 1481.79,313 3.775,314 69.609,317 0.5,318 0.33,319 0.5,320 0.8,321 0.5,322 0.33,324 0.42,325 127.5,326 1616,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.035,334 10.786,335 3.042,336 4.237,337 4.057,338 6.543,339 4.055,340 3.084,341 3.738,342 2.035,343 10.361,344 2.991,345 4.156,346 3.606,347 6.129,348 3.803,349 2.809,350 3.73,351 1.907,352 8.996,353 2.793,354 4.109,355 3.585,356 6.096,357 3.763,358 2.766,359 3.576,360 1.907,361 8.887,362 2.755,363 3.841,364 3.582,365 5.659,366 3.46,367 2.48,368 3.06,369 1.902,370 7.395,371 2.427,372 3.807,373 3.57,374 5.299,375 3.414,376 2.412,377 3.047,378 1.902,379 6.772,380 2.406,381 3.682,382 3.197,383 5.293,384 3.377,385 2.385,386 2.853,387 0.869,388 6.75,389 2.365,390 3.647,391 3.113,392 5.238,393 3.361,394 2.349,395 2.82,396 0.869,397 6.375,398 2.365,399 3.599,400 2.629,401 5.051,402 3.316,403 2.322,404 2.728,405 0.22,406 6.134,407 2.305,408 3.506,409 2.477,410 5.018,411 3.21,412 2.223,413 2.674,414 0.22,415 6.047,416 2.193,417 3.15,418 2.43,419 4.565,420 2.723,421 1.744,422 2.217,423 0.149,424 4.538,425 1.705,426 3.142,427 2.373,428 4.401,429 2.682,430 1.701,431 2.211,432 0.149,433 4.268,434 1.665,435 3.047,436 2.162,437 4.351,438 2.52,439 1.557,440 2.026,442 4.077,443 1.497,444 3.042,445 2.043,446 4.101,447 2.479,448 1.52,449 1.95,451 3.619,452 1.458,453 2.87,454 1.982,455 3.818,456 2.46,457 1.485,458 1.909,460 3.368,461 1.439,462 27.833,463 0.472,464 1.019,465 0.017,466 72.25,467 1.225,468 35.5,469 0.602,470 36.75,471 0.623,472 63.13,473 1.07,474 63.367,475 0.587,476 67.535,477 1.145,478 14.329,479 0.243,480 14.581,481 0.247,482 0.065,484 0.269,487 0.809,488 1.191,489 0.803,490 1.099,491 0.611,492 0.973,493 0.996,494 1.103,495 1.021,496 1.112,497 0.617,498 1.081,499 1.044,500 1.095,501 0.983,502 1.129,503 0.846,504 1.06,505 1.534,506 0.917,507 1.117,508 0.932,509 1.118,510 0.956,511 1.171,512 0.998,513 1.053,514 1.027,515 0.93,516 1.028,517 0.925,518 0.945,519 0.981,520 0.99,521 0.735,522 0.996,523 0.847,524 0.903,525 0.961,526 0.956,527 0.689,528 0.977,529 0.931,530 1.031,531 1.016,532 1.031,533 0.965,534 1.041,535 9,536 0.363,537 6,538 2.688,539 2.324,540 2,541 1.211,542 0.549,543 0.635,544 0.506,545 104380,546 281400,547 2.091,548 45.4,549 8,550 28,551 2,552 2,553 3,554 4,556 2,558 1.88,559 2,560 4.62,561 0.566,567 162.08,568 1.501,569 3.723,570 4.923,571 5.519,572 5.699,573 5.773,574 3.981,575 5.611,576 5.861,577 4.886,578 8359.81,579 10.417,580 234354,585 729.528,586 1.199,587 5.833,588 0.141,589 0.006,590 0.071,591 0.03,592 0.027,593 0.023,594 0.014,595 0.007,596 0.008,597 0.007,598 0.334,599 0.33,600 0.5,601 0.567,602 390.695,603 -0.039,604 -0.05,605 0.041,606 -0.018,607 -0.006,608 0.02,609 0.05,610 -0.039,611 -0.095,612 -0.077,614 -0.105,615 -0.045,616 -0.099,617 -0.012,618 -0.116,619 -0.022,620 -0.066,621 -0.154,622 0.036,623 -0.072,624 0.041,625 -0.085,626 0.005,627 -0.085,628 -0.028,629 -0.058,630 -0.024,631 -0.054,632 -0.036,633 -0.01,634 0.014,635 0.009,636 0.013,638 0.015,639 0.053,640 0.056,641 0.032,642 0.041,643 0.107,644 0.034,645 -0.071,646 -0.066,647 -0.035,648 -0.027,649 -0.091,650 -0.027,651 1.967,652 5.456,653 0.61,654 112.507,655 1.002,656 1.121,657 2.814,658 7.917,659 0.666,660 4.174,661 4.443,662 4.691,663 4.905,664 5.153,665 5.231,666 5.371,667 5.451,668 5.572,669 5.659,670 15.681,671 0.636,672 796.01,673 4.174,674 5.694,675 6.524,676 7.372,677 8.221,678 9.079,679 9.938,680 10.804,681 11.67,682 12.541,683 4.6,690 2,692 2,693 1,699 16,700 1,704 7,706 24,707 2,721 1,724 108,726 30,727 3,728 64,730 113,731 47,733 23,734 6,735 12,739 6,740 6,748 2,749 2,751 8,752 2,753 29,754 16,755 2,756 4,761 2,763 4,765 2,772 49,773 12,774 3,775 12,779 5,784 1,785 7,795 1,802 6,816 2,822 4,831 4,832 6,840 59,845 1,846 10,847 2,848 4,850 6,853 2,858 2,860 2,862 6.5,864 1,865 2,866 4,869 29.5,870 18.717,871 13.444,872 6.54,874 3.437,875 1.381,876 0.949,877 16.379,878 12.464,879 4.443,880 4.898,881 5.375,882 5.81,883 6.285,884 6.395,885 6.69,886 6.819,887 7.146,888 7.51,889 0.944,890 90,891 21.944,893 9.322,894 7.822,895 41.701,897 34.136,899 2.322,900 137,904 541.471,905 279.716,906 114.926,908 136.973,911 279.716,912 678.443,913 114.926,915 64.625,916 171.292,917 219.913,918 99.327,919 23.542,920 494.386,922 541.471,923 394.642,924 136.973,927 517.928,928 116.515,929 44,930 0.719,931 144.838,932 194.394,933 54.691,935 541.471,936 251.898,937 279.716,940 542.19,941 57.126,942 188.667,943 69.225,944 215.877,945 541.471,946 251.898,947 279.716,949 0.563,950 0.327,951 0.171,952 0.095,953 33,954 15,955 0.15,956 17,958 1,959 6.788,960 611.272,962 36,963 335.076,968 42.956,969 22.496,970 12.676,972 251.898,973 28.807,974 4.279,978 4.569,980 78.705,981 1073.08,982 84,987 24.903,989 8.03,991 -0.187,994 108.239,995 121.092,996 0.222,997 0.551,998 0.729,999 0.817,1000 0.844,1001 0.855,1002 5.673,1003 2.349,1004 6.466,1005 6.75,1006 5.13,1007 5.587,1008 3.819,1009 7.217,1010 5.091,1011 6.83,1012 2.322,1013 7.984,1014 6.375,1015 4.511,1016 5.047,1017 2.699,1018 8.026,1019 4.481,1020 8.092,1021 2.223,1022 9.606,1023 6.134,1024 6.661,1025 7.586,1026 4.966,1027 11.12,1028 6.588,1029 9.382,1030 1.744,1031 11.293,1032 6.047,1033 6.919,1034 7.893,1035 4.312,1036 12.82,1037 6.843,1038 10.704,1039 1.701,1040 13.024,1041 4.538,1042 8.467,1043 9.86,1044 6.244,1045 15.415,1046 8.355,1047 12.047,1048 1.557,1049 14.786,1050 4.268,1051 9.149,1052 10.583,1053 5.741,1054 17.482,1055 9.02,1056 13.407,1057 1.52,1058 16.57,1059 4.077,1060 10.44,1061 12.283,1062 7.573,1063 19.912,1064 10.28,1065 3.139,1066 1.485,1067 18.372,1068 3.619,1069 11.339,1070 13.238,1071 7.1,1072 22.137,1073 11.153,1074 3.084,1075 10.786,1076 20.188,1077 3.368,1078 12.52,1079 14.792,1080 8.927,1081 24.511,1082 12.303,1083 2.809,1084 10.361,1085 22.014,1086 3.856,1087 13.528,1088 15.885,1089 8.426,1090 26.806,1091 13.28,1092 2.766,1093 8.996,1094 23.848,1095 3.738,1096 14.664,1097 17.354,1098 10.294,1099 29.163,1100 14.385,1101 2.48,1102 8.887,1103 25.69,1104 3.73,1105 15.728,1106 18.533,1107 9.735,1108 31.49,1109 15.415,1110 2.412,1111 7.395,1112 27.538,1113 3.576,1114 16.849,1115 19.949,1116 11.671,1117 33.844,1118 16.504,1119 2.385,1120 6.772,1121 29.391,1122 3.06,1123 17.941,1124 21.182,1125 11.035,1126 36.186,1127 17.562,1128 97278,1129 159953,1130 43.512,1131 71.961,1132 95.996,1133 100.015,1134 94.946,1135 92.401,1136 92.487,1137 116.448,1138 28.326,1139 250.555,1140 90.555,1141 5.334,1142 6.057,1143 6.483,1144 5.181,1145 5.139,1146 6.856,1147 4.069,1148 17.864,1149 5.042,1150 26.692,1151 1.5,1152 1.563,1153 1.484,1154 1.444,1155 1.445,1156 1.82,1157 0.443,1158 3.915,1159 1.415,1160 4.044,1161 4.069,1162 3.979,1163 3.947,1164 7.431,1165 3.95,1166 3.969,1167 3.99,1168 3.911,1169 3.881,1170 7.426,1171 3.884,1172 3.894,1173 3.919,1174 3.839,1175 3.84,1176 6.823,1177 3.836,1178 3.88,1179 3.912,1180 3.821,1181 3.806,1182 6.818,1183 3.805,1184 3.802,1185 3.852,1186 3.702,1187 3.673,1188 6.469,1189 3.668,1190 3.759,1191 3.804,1192 3.653,1193 3.647,1194 4.947,1195 3.641,1196 3.688,1197 3.738,1198 3.586,1199 3.511,1200 4.864,1201 3.522,1202 3.629,1203 3.668,1204 3.534,1205 3.459,1206 4.802,1207 3.466,1208 0.068,1209 0.063,1210 0.104,1211 0.064,1212 0.049,1213 4.334,1214 0.06,1215 4.057,1216 0.032,1217 6.681,1218 0.169,1219 4.109,1220 0.048,1221 3.139,1222 3.856,1223 2.035,1224 10.786,1225 3.042,1226 1.952,1227 1.932,1228 2.067,1229 2.068,1230 1.366,1231 2.066,1232 1.94,1233 1.918,1234 2.058,1235 2.064,1236 1.36,1237 2.061,1238 1.896,1239 1.874,1240 2.002,1241 1.972,1242 1.172,1243 1.983,1244 1.875,1245 1.844,1246 1.996,1247 1.967,1248 1.153,1249 1.977,1250 1.774,1251 1.73,1252 1.957,1253 1.946,1254 1.114,1255 1.947,1256 1.755,1257 1.71,1258 1.933,1259 1.899,1260 1.11,1261 1.914,1262 1.644,1263 1.592,1264 1.85,1265 1.84,1266 1.047,1267 1.849,1268 1.587,1269 1.544,1270 1.795,1271 1.783,1272 1.008,1273 1.785,1274 4.86,1276 6.142,1278 7.619,1280 9.187,1282 10.806,1289 10.616,1290 4.652,1291 5.728,1292 24.935,1294 -1.848,1298 18.272,1299 4.244,1300 68.7,1301 162.08,1302 402.065,1303 531.696,1304 596.018,1305 615.528,1306 623.528,1307 165.308,1308 9.027,1309 175.82,1310 175.82,1311 36,1312 13.085,1313 4.954,1314 4.392,1315 105.416,1316 583,1317 494,1318 0.084,1319 420.647,1320 767.63,1321 1018.14,1322 173493,1324 41.237,1325 0.699,1326 0.556,1327 41.237,1328 32.821,1329 28.911,1330 0.452,1331 0.312,1332 19.718,1333 27.934,1334 19.378,1335 15.987,1336 28.911,1337 19.969,1338 24.467,1339 0.291,1340 0.172,1341 24.467,1342 14.468,1343 20.619,1344 0.191,1345 0.095,1346 20.619,1347 10.257,1348 16.385,1349 0.122,1350 0.053,1351 16.385,1352 7.064,1353 13.393,1354 0.078,1355 0.029,1356 13.393,1357 4.972,1358 0.143,1359 180.76,1360 0.152,1361 51.133,1362 0.202,1363 296,1364 892.164,1365 324.692,1366 852.44,1367 1135.55,1368 798,1369 340,1370 789.613,1371 369.112,1372 798.609,1373 1162.45,1374 751,1375 5} {0 CHEMBL94381,1 1.476,2 26.889,3 8.521,4 72.604,5 235.626,6 7.691,7 0.435,8 4.789,9 4.878,10 4.377,11 4.357,12 5.947,13 4.345,14 5.332,15 5.458,16 4.719,17 4.735,18 6.458,19 4.702,20 5.631,21 5.809,22 4.826,23 4.887,24 6.688,25 4.833,26 5.738,27 5.933,28 4.809,29 4.877,30 6.829,31 4.826,32 5.689,33 5.873,34 4.819,35 4.921,36 6.771,37 4.858,38 5.78,39 5.99,40 4.794,41 4.985,42 6.789,43 4.891,44 5.79,45 6.013,46 4.756,47 4.974,48 6.852,49 4.868,50 5.716,51 5.938,52 4.68,53 4.915,54 6.715,55 4.808,56 0.075,57 1.391,58 20.542,59 10.731,60 29.893,61 12.626,62 0.754,63 2.285,64 40.238,65 18.015,66 75.456,67 21.463,68 0.712,69 3.016,70 59.503,71 24.494,72 112.264,73 30.376,74 1.38,75 3.244,76 71.647,77 25.829,78 171.665,79 31.129,80 1.077,81 3.176,82 64.769,83 25.501,84 152.56,85 31.404,86 1.097,87 3.497,88 72.9,89 28.702,90 161.699,91 36.724,92 1.278,93 3.524,94 75.313,95 29.216,96 202.957,97 38.081,98 0.868,99 3.31,100 68.913,101 27.242,102 143.238,103 35.542,104 30,105 92,106 0.207,107 0.506,108 0.671,109 0.772,110 0.806,111 0.82,112 4.16,113 0.909,114 -5.29,115 -5.18,116 -4.84,118 46.4,120 6,121 2,124 2,126 2,127 2,133 4,140 18,141 6,142 3,143 2,154 4,168 31,171 4,172 20,177 2,180 29,185 1,186 27,191 2,194 19,197 1,198 30,201 1,203 2,206 17,209 2,210 24,215 1,218 28,221 1,222 17,225 1,227 2,229 37,233 5,234 16,239 3,242 42,247 7,252 3,255 38,258 8,259 14,264 2,267 32,270 13159,271 43.567,272 43.567,273 43.567,274 43.567,275 43.567,276 38.9,277 45.48,278 26.362,279 44.043,280 33.998,281 33.998,282 33.998,283 33.998,284 33.998,285 27.01,286 47.992,287 12.431,288 34.826,289 5.306,290 3.177,291 2.003,292 1.282,293 1.043,294 0.945,295 4.874,301 3697,302 5.244,306 1737.39,313 4.106,314 78.58,317 0.5,318 0.33,319 0.5,320 0.6,321 0.5,322 0.33,324 0.4,325 136.5,326 1694,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.443,334 10.786,335 3.041,336 4.237,337 4.057,338 6.543,339 4.055,340 3.084,341 3.827,342 2.443,343 10.361,344 2.991,345 4.236,346 3.747,347 6.181,348 3.836,349 2.899,350 3.738,351 2.035,352 9.224,353 2.793,354 4.156,355 3.683,356 6.129,357 3.803,358 2.809,359 3.73,360 2.035,361 8.996,362 2.755,363 4.108,364 3.606,365 6.096,366 3.763,367 2.766,368 3.576,369 1.902,370 8.887,371 2.704,372 3.841,373 3.585,374 5.659,375 3.459,376 2.48,377 3.06,378 1.902,379 7.395,380 2.425,381 3.807,382 3.197,383 5.299,384 3.377,385 2.385,386 3.047,387 0.869,388 6.772,389 2.365,390 3.672,391 3.113,392 5.293,393 3.357,394 2.38,395 2.854,396 0.869,397 6.75,398 2.315,399 3.604,400 2.985,401 5.238,402 3.317,403 2.325,404 2.758,405 0.286,406 6.386,407 2.295,408 3.551,409 2.629,410 5.139,411 3.222,412 2.23,413 2.724,414 0.286,415 6.371,416 2.207,417 3.502,418 2.477,419 4.926,420 3.191,421 2.189,422 2.672,423 0.22,424 5.735,425 2.175,426 3.15,427 2.43,428 4.565,429 2.712,430 1.735,431 2.22,432 0.22,433 4.538,434 1.69,435 3.141,436 2.373,437 4.401,438 2.67,439 1.692,440 2.214,442 4.268,443 1.65,444 3.047,445 2.163,446 4.351,447 2.509,448 1.546,449 2.038,451 4.077,452 1.485,453 3.042,454 2.045,455 4.221,456 2.473,457 1.519,458 2.023,460 3.898,461 1.446,462 29.7,463 0.471,464 1.139,465 0.018,466 81.75,467 1.298,468 42.5,469 0.675,470 39.25,471 0.623,472 65.94,473 1.047,474 66.3,475 0.603,476 79.354,477 1.26,478 16.201,479 0.257,480 14.676,481 0.233,482 0.061,484 0.286,487 0.791,488 1.119,489 0.749,490 1.076,491 0.617,492 0.937,493 0.944,494 1.091,495 0.972,496 1.108,497 0.598,498 1.059,499 1.063,500 1.125,501 0.967,502 1.131,503 0.793,504 1.053,505 1.533,506 0.914,507 1.105,508 0.921,509 1.067,510 0.933,511 1.19,512 1.012,513 1.063,514 1.033,515 0.985,516 1.028,517 1.016,518 0.979,519 1.049,520 1.023,521 0.893,522 1.042,523 0.925,524 0.912,525 1.018,526 0.968,527 0.785,528 1.009,529 0.932,530 1.011,531 1.028,532 1.029,533 0.97,534 1.047,535 10,536 0.438,537 6.444,538 3.063,539 2.947,540 2.236,541 1.411,542 0.635,543 0.651,544 0.517,545 118639,546 327414,547 2.112,548 42.7,549 8,550 28,551 2,552 2,553 1,554 4,556 2,558 1.898,559 2.021,560 4.607,561 -0.47,567 162.306,568 1.476,569 3.604,570 4.778,571 5.499,572 5.738,573 5.836,574 4.006,575 5.787,576 5.953,577 4.869,578 9508.42,579 10.623,580 267667,585 745.95,586 1.203,587 5.929,588 0.145,589 0.006,590 0.07,591 0.031,592 0.031,593 0.023,594 0.015,595 0.007,596 0.008,597 0.007,598 0.342,599 0.17,600 0.5,601 0.543,602 420.052,603 -0.027,604 -0.06,605 0.049,606 -0.037,607 -0.011,608 0.011,609 0.098,610 -0.075,611 -0.072,612 -0.094,613 0.034,614 -0.111,615 -0.025,616 -0.149,617 0.002,618 -0.126,619 -0.005,620 -0.069,621 -0.163,622 0.05,623 -0.054,624 0.054,625 -0.067,626 0.026,627 -0.069,628 -0.034,629 -0.072,630 -0.038,631 -0.028,632 -0.052,633 -0.051,634 -0.013,635 -0.053,636 -0.022,637 -0.037,638 -0.035,639 0.008,640 0.047,641 -0.011,642 0.034,643 0.068,644 0.01,645 -0.071,646 -0.047,647 -0.035,648 -0.024,649 -0.102,650 -0.024,651 2.142,652 5.88,653 0.667,654 126.498,655 1.006,656 1.114,657 4.063,658 16.509,659 0.681,660 4.248,661 4.533,662 4.796,663 5.03,664 5.283,665 5.342,666 5.472,667 5.549,668 5.656,669 5.746,670 15.286,671 0.655,672 846.01,673 4.248,674 5.778,675 6.616,676 7.474,677 8.329,678 9.195,679 10.058,680 10.928,681 11.796,682 12.669,683 2.7,692 2,693 1,699 20,700 1,704 9,706 30,707 2,721 1,724 110,726 36,727 4,728 69,730 116,731 51,733 29,734 8,735 16,739 7,740 7,748 2,749 2,751 8,752 2,753 35,754 14,755 2,756 4,761 2,763 4,765 2,772 47,773 12,774 1,775 12,779 3,784 1,785 9,795 1,802 7,819 2,822 4,831 4,832 7,840 63,845 1,846 8,848 6,850 6,853 2,858 2,860 2,862 8.2,864 1,865 2,866 4,867 2,869 31.167,870 19.383,871 14.222,872 6.644,874 4.983,875 1.518,876 0.955,877 16.019,878 14.598,879 4.533,880 5.021,881 5.52,882 5.991,883 6.478,884 6.561,885 6.846,886 6.991,887 7.268,888 7.616,889 0.944,890 99,891 23.442,893 10.065,894 7.839,895 44.249,897 36.308,899 2.339,900 147.333,904 541.471,905 328.87,906 78.904,908 158.973,911 328.87,912 700.443,913 78.904,915 24.392,916 209.197,917 224.887,918 131.814,919 23.542,920 494.386,922 541.471,923 407.774,924 158.973,927 517.928,928 138.515,929 44,930 0.719,931 104.606,932 247.759,933 54.691,935 541.471,936 237.877,937 328.87,940 542.19,941 68.375,942 226.572,943 33.203,944 237.877,945 541.471,946 237.877,947 328.87,949 0.566,950 0.332,951 0.179,952 0.102,953 38,954 17,955 0.155,956 18,958 1,959 6.974,960 692.039,962 42,963 368.569,968 44.634,969 22.61,970 12.371,972 237.877,973 35.191,974 4.284,978 4.751,980 42.683,981 1108.22,982 92,987 25.751,989 7.811,991 -0.939,994 110.69,995 122.514,996 0.218,997 0.532,998 0.705,999 0.811,1000 0.846,1001 0.861,1002 5.767,1003 2.38,1004 6.567,1005 6.772,1006 5.22,1007 5.71,1008 3.98,1009 7.334,1010 5.169,1011 6.936,1012 2.325,1013 8.094,1014 6.75,1015 4.635,1016 5.207,1017 3.173,1018 8.159,1019 4.57,1020 8.206,1021 2.23,1022 9.724,1023 6.386,1024 6.767,1025 7.747,1026 5.299,1027 11.257,1028 6.666,1029 9.505,1030 2.189,1031 11.417,1032 6.371,1033 7.048,1034 8.08,1035 5.171,1036 12.954,1037 6.922,1038 10.835,1039 1.735,1040 13.152,1041 5.735,1042 8.588,1043 10.052,1044 6.785,1045 15.549,1046 8.432,1047 12.185,1048 1.692,1049 14.917,1050 4.538,1051 9.286,1052 10.8,1053 6.996,1054 17.606,1055 9.096,1056 13.552,1057 1.546,1058 16.704,1059 4.268,1060 10.573,1061 12.502,1062 8.358,1063 20.031,1064 10.356,1065 3.139,1066 1.519,1067 18.506,1068 4.077,1069 11.478,1070 13.48,1071 8.779,1072 22.244,1073 11.225,1074 3.084,1075 10.786,1076 20.321,1077 3.898,1078 12.656,1079 15.035,1080 9.991,1081 24.61,1082 12.375,1083 2.899,1084 10.361,1085 22.146,1086 3.856,1087 13.665,1088 16.148,1089 10.554,1090 26.894,1091 13.348,1092 2.809,1093 9.224,1094 23.978,1095 3.827,1096 14.799,1097 17.617,1098 11.666,1099 29.243,1100 14.452,1101 2.766,1102 8.996,1103 25.817,1104 3.738,1105 15.86,1106 18.811,1107 12.33,1108 31.56,1109 15.478,1110 2.48,1111 8.887,1112 27.662,1113 3.73,1114 16.978,1115 20.229,1116 13.374,1117 33.907,1118 16.565,1119 2.385,1120 7.395,1121 29.511,1122 3.576,1123 18.066,1124 21.474,1125 14.107,1126 36.242,1127 17.618,1128 109738,1129 182564,1130 47.095,1131 74.858,1132 104.089,1133 107.989,1134 103.163,1135 100.433,1136 100.487,1137 128.8,1138 31.017,1139 276.216,1140 97.861,1141 5.334,1142 6.057,1143 6.483,1144 5.194,1145 5.139,1146 6.856,1147 4.477,1148 17.864,1149 5.041,1150 27.557,1151 1.509,1152 1.565,1153 1.495,1154 1.456,1155 1.456,1156 1.867,1157 0.45,1158 4.003,1159 1.418,1160 4.05,1161 4.072,1162 3.985,1163 3.952,1164 7.434,1165 3.956,1166 3.969,1167 3.99,1168 3.911,1169 3.881,1170 7.43,1171 3.884,1172 3.912,1173 3.925,1174 3.863,1175 3.84,1176 6.823,1177 3.836,1178 3.894,1179 3.918,1180 3.839,1181 3.819,1182 6.818,1183 3.823,1184 3.879,1185 3.911,1186 3.82,1187 3.801,1188 6.469,1189 3.802,1190 3.757,1191 3.798,1192 3.651,1193 3.657,1194 4.951,1195 3.648,1196 3.742,1197 3.788,1198 3.637,1199 3.639,1200 4.876,1201 3.631,1202 3.621,1203 3.654,1204 3.527,1205 3.457,1206 4.853,1207 3.463,1208 0.063,1209 0.059,1210 0.097,1211 0.06,1212 0.045,1213 4.334,1214 0.056,1215 4.057,1216 0.035,1217 6.681,1218 0.156,1219 4.109,1220 0.044,1221 3.139,1222 3.856,1223 2.443,1224 10.786,1225 3.041,1226 1.952,1227 1.932,1228 2.067,1229 2.068,1230 1.366,1231 2.066,1232 1.94,1233 1.918,1234 2.057,1235 2.064,1236 1.36,1237 2.061,1238 1.896,1239 1.874,1240 2.002,1241 1.994,1242 1.152,1243 1.987,1244 1.877,1245 1.856,1246 1.996,1247 1.971,1248 1.147,1249 1.981,1250 1.868,1251 1.843,1252 1.978,1253 1.965,1254 1.112,1255 1.974,1256 1.761,1257 1.72,1258 1.943,1259 1.893,1260 1.108,1261 1.911,1262 1.744,1263 1.7,1264 1.92,1265 1.876,1266 1.035,1267 1.895,1268 1.582,1269 1.543,1270 1.795,1271 1.773,1272 1.011,1273 1.776,1274 4.934,1276 6.229,1278 7.719,1280 9.299,1282 10.928,1289 10.674,1290 3.09,1292 36.231,1294 -2.089,1298 18.338,1299 4.24,1300 72.087,1301 162.306,1302 396.48,1303 525.607,1304 604.93,1305 631.195,1306 641.95,1307 168.327,1308 9.616,1309 170.22,1310 170.22,1311 42,1312 13.211,1313 5.209,1314 4.585,1315 105.005,1316 591,1317 562,1318 0.081,1319 437.245,1320 801.23,1321 1058.64,1322 361917,1324 43.806,1325 0.695,1326 0.548,1327 43.806,1328 34.532,1329 30.877,1330 0.447,1331 0.303,1332 20.64,1333 29.802,1334 20.288,1335 16.728,1336 30.877,1337 20.906,1338 26.458,1339 0.288,1340 0.165,1341 26.458,1342 15.163,1343 22.452,1344 0.187,1345 0.089,1346 22.452,1347 10.738,1348 18.285,1349 0.12,1350 0.049,1351 18.285,1352 7.423,1353 15.167,1354 0.077,1355 0.027,1356 15.167,1357 5.251,1358 0.137,1359 193.283,1360 0.146,1361 53.235,1362 0.2,1363 322,1364 1010.97,1365 355.885,1366 958.503,1367 1285.91,1368 898,1369 373,1370 911.778,1371 407.17,1372 915.84,1373 1339.96,1374 862,1375 5} {0 CHEMBL94692,1 1.476,2 28.73,3 8.521,4 72.604,5 235.626,6 7.691,7 0.435,8 4.789,9 4.878,10 4.377,11 4.357,12 5.947,13 4.345,14 5.332,15 5.458,16 4.719,17 4.735,18 6.46,19 4.702,20 5.631,21 5.809,22 4.814,23 4.887,24 6.681,25 4.831,26 5.736,27 5.933,28 4.788,29 4.876,30 6.825,31 4.818,32 5.68,33 5.87,34 4.776,35 4.912,36 6.727,37 4.839,38 5.761,39 5.979,40 4.751,41 4.964,42 6.742,43 4.862,44 5.758,45 5.986,46 4.722,47 4.941,48 6.788,49 4.83,50 5.669,51 5.891,52 4.652,53 4.872,54 6.661,55 4.769,56 0.075,57 1.391,58 20.542,59 10.731,60 29.875,61 12.626,62 0.754,63 2.285,64 40.238,65 18.015,66 75.714,67 21.463,68 0.646,69 3.016,70 59.485,71 24.489,72 111.374,73 30.265,74 1.376,75 3.244,76 71.55,77 25.877,78 172.681,79 31.359,80 0.975,81 3.162,82 64.373,83 25.484,84 143.304,85 31.665,86 1.027,87 3.448,88 71.842,89 28.442,90 156.317,91 36.966,92 1.268,93 3.424,94 73.164,95 28.488,96 179.361,97 37.74,98 0.815,99 3.163,100 65.665,101 25.957,102 125.535,103 33.869,104 30,105 92,106 0.207,107 0.506,108 0.67,109 0.77,110 0.799,111 0.81,112 4.16,113 0.909,114 -5.29,115 -5.18,116 -4.84,118 46.4,120 6,121 2,124 2,126 2,127 2,133 4,140 18,141 6,142 3,143 2,154 4,168 30,171 4,172 22,177 2,180 29,186 27,191 2,194 20,197 1,198 30,201 1,203 2,206 19,209 1,210 22,215 1,218 30,221 1,222 13,225 1,227 2,229 37,233 6,234 14,239 3,242 41,247 5,252 3,255 36,258 9,259 14,264 2,267 30,270 12879,271 43.515,272 43.515,273 43.515,274 43.515,275 43.515,276 38.875,277 46.874,278 26.278,279 44.004,280 33.993,281 33.993,282 33.993,283 33.993,284 33.993,285 27.027,286 49.354,287 12.411,288 34.84,289 5.306,290 3.177,291 2.011,292 1.301,293 1.091,294 1.018,295 4.874,301 3953,302 5.244,306 1861.85,313 4.302,314 76.886,317 0.5,318 0.33,319 0.5,320 0.6,321 0.5,322 0.33,324 0.4,325 136.5,326 1810,327 4.334,328 4.057,329 6.681,330 4.109,331 3.139,332 3.856,333 2.443,334 10.786,335 3.041,336 4.237,337 4.057,338 6.543,339 4.055,340 3.084,341 3.738,342 2.443,343 10.361,344 2.991,345 4.156,346 3.713,347 6.129,348 3.803,349 2.809,350 3.73,351 2.035,352 8.996,353 2.793,354 4.109,355 3.702,356 6.096,357 3.763,358 2.766,359 3.661,360 2.035,361 8.887,362 2.755,363 4.084,364 3.606,365 5.659,366 3.675,367 2.728,368 3.576,369 1.902,370 7.7,371 2.572,372 3.841,373 3.585,374 5.594,375 3.46,376 2.496,377 3.06,378 1.902,379 7.395,380 2.426,381 3.807,382 3.197,383 5.368,384 3.445,385 2.478,386 3.048,387 0.869,388 7.065,389 2.365,390 3.774,391 3.113,392 5.299,393 3.377,394 2.385,395 3.021,396 0.869,397 6.772,398 2.358,399 3.605,400 2.792,401 5.293,402 3.319,403 2.325,404 2.756,405 0.286,406 6.75,407 2.307,408 3.551,409 2.629,410 5.238,411 3.22,412 2.23,413 2.724,414 0.286,415 6.374,416 2.205,417 3.503,418 2.477,419 4.871,420 3.188,421 2.185,422 2.673,423 0.22,424 5.656,425 2.173,426 3.268,427 2.446,428 4.691,429 2.891,430 1.915,431 2.459,432 0.22,433 5.151,434 1.85,435 3.141,436 2.43,437 4.564,438 2.693,439 1.714,440 2.208,442 4.537,443 1.673,444 3.124,445 2.372,446 4.401,447 2.646,448 1.667,449 2.194,451 4.267,452 1.627,453 3.045,454 2.161,455 4.351,456 2.495,457 1.526,458 2.025,460 4.077,461 1.474,462 29.7,463 0.471,464 1.156,465 0.018,466 81.75,467 1.298,468 42.5,469 0.675,470 39.25,471 0.623,472 64.742,473 1.028,474 66.3,475 0.603,476 78.063,477 1.239,478 16.186,479 0.257,480 14.674,481 0.233,482 0.061,484 0.286,487 0.791,488 1.119,489 0.749,490 1.076,491 0.618,492 0.937,493 0.944,494 1.091,495 0.972,496 1.108,497 0.593,498 1.059,499 1.112,500 1.125,501 0.991,502 1.131,503 0.808,504 1.059,505 1.501,506 0.914,507 1.115,508 0.924,509 1.056,510 0.946,511 1.161,512 1.015,513 1.077,514 1.04,515 1.024,516 1.045,517 0.912,518 0.979,519 1.02,520 1.025,521 0.824,522 1.042,523 0.791,524 0.902,525 0.963,526 0.958,527 0.666,528 0.992,529 0.926,530 1.008,531 1.007,532 1.02,533 0.859,534 1.031,535 10.5,536 0.438,537 6.222,538 3.063,539 2.787,540 2.181,541 1.371,542 0.604,543 0.676,544 0.557,545 126575,546 349038,547 2.112,548 42.7,549 8,550 28,551 2,552 2,553 1,554 4,556 2,558 1.895,559 2.021,560 4.692,561 -0.47,567 162.306,568 1.476,569 3.604,570 4.77,571 5.48,572 5.69,573 5.763,574 4.07,575 5.68,576 5.954,577 4.964,578 9694.69,579 10.605,580 284419,585 745.95,586 1.203,587 5.929,588 0.152,589 0.006,590 0.068,591 0.031,592 0.03,593 0.023,594 0.015,595 0.007,596 0.008,597 0.007,598 0.347,599 0.17,600 0.5,601 0.543,602 424.033,603 -0.027,604 -0.06,605 0.049,606 -0.037,607 -0.011,608 0.011,609 0.098,610 -0.075,611 -0.072,612 -0.094,613 0.04,614 -0.111,615 -0.075,616 -0.149,617 -0.021,618 -0.126,619 -0.021,620 -0.075,621 -0.161,622 0.05,623 -0.067,624 0.052,625 -0.062,626 0.018,627 -0.1,628 -0.038,629 -0.09,630 -0.043,631 -0.075,632 -0.06,633 -0.022,634 -0.014,635 -0.027,636 -0.021,637 -0.025,638 -0.024,639 0.079,640 0.056,641 0.043,642 0.046,643 0.085,644 0.036,645 -0.065,646 -0.042,647 -0.015,648 -0.016,649 -0.082,650 -0.009,651 2.068,652 5.622,653 0.667,654 131.705,655 1.006,656 1.114,657 4.063,658 16.509,659 0.681,660 4.248,661 4.533,662 4.787,663 5.017,664 5.268,665 5.333,666 5.476,667 5.557,668 5.663,669 5.746,670 16.411,671 0.655,672 846.01,673 4.248,674 5.778,675 6.613,676 7.469,677 8.321,678 9.184,679 10.044,680 10.912,681 11.777,682 12.648,683 2.7,692 2,693 1,699 20,700 1,704 9,706 30,707 2,721 1,724 110,726 36,727 4,728 69,730 116,731 51,733 29,734 8,735 16,739 7,740 7,748 2,749 2,751 8,752 2,753 35,754 14,755 2,756 4,761 2,763 4,765 2,772 47,773 12,774 1,775 12,779 3,784 1,785 9,795 1,802 7,819 2,822 4,831 4,832 7,840 63,845 1,846 8,848 6,850 6,853 2,858 2,860 2,862 8.2,864 1,865 2,866 4,867 2,869 31.167,870 19.383,871 14.194,872 6.638,874 4.694,875 1.488,876 0.955,877 16.019,878 14.31,879 4.533,880 5.021,881 5.514,882 5.983,883 6.472,884 6.563,885 6.867,886 7.01,887 7.276,888 7.609,889 0.947,890 98,891 23.416,893 10.034,894 7.839,895 44.249,897 36.304,899 2.339,900 147.333,904 541.471,905 328.87,906 78.904,908 158.973,911 328.87,912 700.443,913 78.904,915 24.392,916 209.197,917 224.887,918 131.814,919 23.542,920 494.386,922 541.471,923 407.774,924 158.973,927 517.928,928 138.515,929 44,930 0.719,931 104.606,932 247.759,933 54.691,935 541.471,936 237.877,937 328.87,940 542.19,941 68.375,942 226.572,943 33.203,944 237.877,945 541.471,946 237.877,947 328.87,949 0.567,950 0.33,951 0.176,952 0.099,953 38,954 17,955 0.155,956 18,958 1,959 7.092,960 679.628,962 42,963 364.569,968 44.634,969 22.61,970 12.591,972 237.877,973 35.022,974 4.279,978 5.173,980 42.683,981 1108.22,982 92,987 25.235,989 7.875,991 -0.787,994 110.69,995 122.514,996 0.218,997 0.532,998 0.703,999 0.808,1000 0.839,1001 0.85,1002 5.767,1003 2.385,1004 6.564,1005 7.065,1006 5.22,1007 5.71,1008 3.98,1009 7.323,1010 5.169,1011 6.936,1012 2.325,1013 8.087,1014 6.772,1015 4.635,1016 5.207,1017 3.173,1018 8.127,1019 4.57,1020 8.205,1021 2.23,1022 9.709,1023 6.75,1024 6.763,1025 7.743,1026 5.299,1027 11.215,1028 6.663,1029 9.502,1030 2.185,1031 11.394,1032 6.374,1033 7.031,1034 8.059,1035 5.171,1036 12.89,1037 6.909,1038 10.828,1039 1.915,1040 13.121,1041 5.656,1042 8.57,1043 10.034,1044 6.785,1045 15.481,1046 8.42,1047 12.173,1048 1.714,1049 14.876,1050 5.151,1051 9.251,1052 10.754,1053 6.996,1054 17.528,1055 9.073,1056 13.535,1057 1.667,1058 16.654,1059 4.537,1060 10.538,1061 12.463,1062 8.358,1063 19.952,1064 10.334,1065 3.139,1066 1.526,1067 18.448,1068 4.267,1069 11.43,1070 13.411,1071 8.779,1072 22.165,1073 11.195,1074 3.084,1075 10.786,1076 20.256,1077 4.077,1078 12.607,1079 14.972,1080 9.991,1081 24.533,1082 12.346,1083 2.809,1084 10.361,1085 22.075,1086 3.856,1087 13.607,1088 16.057,1089 10.554,1090 26.821,1091 13.315,1092 2.766,1093 8.996,1094 23.902,1095 3.738,1096 14.739,1097 17.53,1098 11.666,1099 29.175,1100 14.42,1101 2.728,1102 8.887,1103 25.738,1104 3.73,1105 15.795,1106 18.7,1107 12.33,1108 31.498,1109 15.444,1110 2.496,1111 7.7,1112 27.58,1113 3.661,1114 16.911,1115 20.118,1116 13.374,1117 33.85,1118 16.532,1119 2.478,1120 7.395,1121 29.428,1122 3.576,1123 17.997,1124 21.344,1125 14.107,1126 36.191,1127 17.585,1128 116917,1129 194415,1130 47.095,1131 74.858,1132 104.098,1133 107.968,1134 103.005,1135 100.429,1136 100.476,1137 128.785,1138 31.017,1139 275.714,1140 97.85,1141 5.334,1142 6.057,1143 6.483,1144 5.186,1145 5.139,1146 6.856,1147 4.477,1148 17.864,1149 5.041,1150 27.832,1151 1.509,1152 1.565,1153 1.493,1154 1.455,1155 1.456,1156 1.866,1157 0.45,1158 3.996,1159 1.418,1160 4.05,1161 4.072,1162 3.985,1163 3.952,1164 7.434,1165 3.955,1166 3.969,1167 3.99,1168 3.911,1169 3.881,1170 7.43,1171 3.884,1172 3.911,1173 3.925,1174 3.86,1175 3.84,1176 6.823,1177 3.836,1178 3.894,1179 3.918,1180 3.839,1181 3.819,1182 6.818,1183 3.823,1184 3.879,1185 3.911,1186 3.82,1187 3.801,1188 6.469,1189 3.802,1190 3.759,1191 3.8,1192 3.655,1193 3.658,1194 4.951,1195 3.648,1196 3.742,1197 3.787,1198 3.637,1199 3.639,1200 4.874,1201 3.631,1202 3.627,1203 3.658,1204 3.538,1205 3.458,1206 4.85,1207 3.466,1208 0.063,1209 0.059,1210 0.097,1211 0.06,1212 0.045,1213 4.334,1214 0.056,1215 4.057,1216 0.035,1217 6.681,1218 0.156,1219 4.109,1220 0.044,1221 3.139,1222 3.856,1223 2.443,1224 10.786,1225 3.041,1226 1.952,1227 1.932,1228 2.067,1229 2.068,1230 1.366,1231 2.066,1232 1.94,1233 1.918,1234 2.057,1235 2.064,1236 1.36,1237 2.061,1238 1.896,1239 1.874,1240 2.002,1241 1.993,1242 1.152,1243 1.987,1244 1.877,1245 1.855,1246 1.996,1247 1.971,1248 1.147,1249 1.981,1250 1.868,1251 1.843,1252 1.976,1253 1.965,1254 1.112,1255 1.974,1256 1.761,1257 1.72,1258 1.942,1259 1.895,1260 1.108,1261 1.912,1262 1.744,1263 1.7,1264 1.919,1265 1.875,1266 1.035,1267 1.894,1268 1.583,1269 1.545,1270 1.795,1271 1.777,1272 1.011,1273 1.778,1274 4.934,1276 6.229,1278 7.716,1280 9.292,1282 10.915,1289 10.641,1290 3.382,1292 35.96,1294 -1.988,1298 18.302,1299 4.239,1300 72.087,1301 162.306,1302 396.48,1303 524.752,1304 602.83,1305 625.95,1306 633.95,1307 165.225,1308 9.616,1309 170.22,1310 170.22,1311 42,1312 13.192,1313 5.209,1314 4.585,1315 105.357,1316 647,1317 564,1318 0.075,1319 437.245,1320 801.23,1321 1058.64,1322 361917,1324 43.806,1325 0.695,1326 0.548,1327 43.806,1328 34.532,1329 30.86,1330 0.447,1331 0.303,1332 20.634,1333 29.776,1334 20.28,1335 16.717,1336 30.86,1337 20.9,1338 26.54,1339 0.288,1340 0.165,1341 26.54,1342 15.188,1343 22.413,1344 0.188,1345 0.09,1346 22.413,1347 10.729,1348 18.187,1349 0.121,1350 0.049,1351 18.187,1352 7.397,1353 14.986,1354 0.078,1355 0.027,1356 14.986,1357 5.229,1358 0.128,1359 193.182,1360 0.146,1361 53.726,1362 0.182,1363 322,1364 1010.97,1365 355.885,1366 958.583,1367 1285.27,1368 898,1369 372,1370 910.778,1371 405.396,1372 914.86,1373 1336.03,1374 861,1375 5} {0 CHEMBL95554,1 1.322,2 9.917,3 4.969,4 24.693,5 97.384,6 6.601,7 0.48,8 3.928,9 4.051,10 3.372,11 3.511,12 5.008,13 3.449,14 4.447,15 4.632,16 3.676,17 3.89,18 5.504,19 3.792,20 4.751,21 4.971,22 3.737,23 4.048,24 5.719,25 3.916,26 4.903,27 5.161,28 3.6,29 4.023,30 5.849,31 3.866,32 4.773,33 5.032,34 3.599,35 3.997,36 5.618,37 3.838,38 4.792,39 5.055,40 3.532,41 3.977,42 5.643,43 3.805,44 4.738,45 5.021,46 3.352,47 3.854,48 5.574,49 3.662,50 4.529,51 4.814,52 3.216,53 3.675,54 5.311,55 3.494,56 0.047,57 0.627,58 10.915,59 4.995,60 10.102,61 6.714,62 0.194,63 1.012,64 18.889,65 8.189,66 41.062,67 11.351,68 0.137,69 1.304,70 25.935,71 10.941,72 30.882,73 15.187,74 0.38,75 1.395,76 31.592,77 11.764,78 73.079,79 16.2,80 0.189,81 1.305,82 26.834,83 10.934,84 37.571,85 15.494,86 0.21,87 1.333,88 27.492,89 10.828,90 40.455,91 15.491,92 0.214,93 1.23,94 26.229,95 10.146,96 44.069,97 14.598,98 0.157,99 0.997,100 21.14,101 8.37,102 28.927,103 12.03,104 24,105 33,106 0.226,107 0.551,108 0.728,109 0.823,110 0.842,111 0.842,112 3.227,113 1.008,114 -4.84,115 -4.75,116 -4.46,118 42.9,119 2,120 4,122 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 21,181 3,186 5,191 3,194 20,195 1,198 3,203 1,206 19,207 1,210 4,215 1,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 1,247 2,252 1,255 11,256 2,259 3,264 2,267 10,268 3,270 932,271 15.888,272 15.888,273 15.888,274 15.888,275 15.888,276 14.059,277 7.993,278 9.726,279 15.958,280 12.327,281 12.327,282 12.327,283 12.327,284 12.327,285 9.723,286 7.648,287 4.584,288 12.426,289 4.293,290 2.386,291 1.351,292 0.796,293 0.684,294 0.684,295 3.89,299 1,300 1,301 487,302 4.243,306 185.504,313 1.361,314 18.255,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 50.5,326 238,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.943,333 2.341,334 11.924,335 3.327,336 4.369,337 3.024,338 6.498,339 4.004,340 3.006,341 3.522,343 10.173,344 3.001,345 3.736,346 2.576,347 5.247,348 3.27,349 2.278,350 3.298,352 6.4,353 2.259,354 3.279,355 2.278,356 4.405,357 2.822,358 1.829,359 2.58,361 4.073,362 1.814,363 2.884,364 1.974,365 4.219,366 2.629,367 1.637,368 1.908,370 3.576,371 1.619,372 2.781,373 1.623,374 3.671,375 2.388,376 1.382,377 1.874,379 3.081,380 1.368,381 2.714,382 1.317,383 3.555,384 2.3,385 1.317,386 1.701,388 2.88,389 1.293,390 2.5,391 1.168,392 3.359,393 2,394 1,395 1.5,397 2.284,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.995,408 2.365,409 1,410 3.247,411 1.956,412 1,413 1.266,415 2.136,416 0.953,417 1.617,418 0.536,419 3,420 1.456,421 0.459,422 0.526,424 1.079,425 0.457,426 0.919,427 0.432,428 2.531,429 0.744,430 -0.253,431 -0.27,433 -0.585,434 -0.252,435 0.719,436 -0.117,437 2.198,438 0.277,439 -0.705,440 -0.952,442 -1.547,443 -0.688,444 0.5,445 -0.705,446 2,447 0.112,448 -0.877,449 -1,451 -2,452 -0.868,453 0.5,454 -0.863,455 2,457 -1,458 -1.069,460 -2.001,461 -0.961,462 11.567,463 0.482,464 0.581,465 0.024,466 28.5,467 1.188,468 15,469 0.625,470 13.5,471 0.563,472 21.318,473 0.888,474 26.233,475 0.535,476 19.481,477 0.812,478 5.388,479 0.224,480 6.117,481 0.255,482 0.144,483 0.043,484 0.173,487 0.752,488 1.149,489 0.935,490 1.085,491 0.736,492 1.039,493 0.441,494 1.054,495 0.915,496 1.046,497 0.407,498 1.029,499 0.71,500 1.189,501 1.015,502 1.199,503 0.712,504 1.148,505 1.602,506 0.834,507 1.108,508 0.844,509 1.664,510 0.92,511 0.697,512 0.992,513 0.939,514 0.978,515 0.705,516 0.985,517 0.781,518 1.045,519 1.042,520 1.037,521 0.746,522 1.059,523 0.791,524 0.969,525 1.003,526 0.978,527 0.752,528 1.005,529 0.645,530 0.888,531 0.896,532 0.911,533 0.635,534 0.924,535 4.5,536 0.19,537 2.889,538 1.25,539 0.622,540 0.361,541 0.281,542 0.198,543 0.263,544 0.291,545 6161,546 15663,547 1.962,548 51,549 14,550 8,552 2,553 1,558 1.669,559 1.834,560 3.266,561 -0.424,567 64.786,568 1.322,569 3.228,570 4.264,571 4.818,572 4.931,573 4.931,574 2.584,575 3.32,576 4.558,577 3.481,578 960.76,579 7.866,580 11971.4,582 1,585 275.121,586 1.476,587 4.503,588 0.18,589 0.009,590 0.088,591 0.038,592 0.022,593 0.012,594 0.011,595 0.009,596 0.014,597 0.013,598 0.396,599 0.5,600 1,601 1.959,602 115.78,603 -0.039,604 -0.004,605 0.011,606 0.031,607 -0.057,608 0.025,609 0.207,610 0.028,611 0.028,612 0.015,613 0.215,614 0.006,615 0.021,616 -0.177,617 -0.066,618 -0.172,619 0.044,620 -0.134,621 -0.216,622 0.105,623 -0.091,624 0.115,625 -0.226,626 0.035,627 -0.019,628 -0.012,629 0.01,630 0.018,631 -0.038,632 0.015,633 -0.056,634 -0.053,635 -0.086,636 -0.059,637 -0.067,638 -0.073,639 -0.045,640 -0.006,641 -0.044,642 -0.018,643 -0.042,644 -0.028,645 0.002,646 0.07,647 0.054,648 0.058,649 -0.019,650 0.063,651 2.39,652 4.144,653 0.5,654 21,655 0.987,656 1.12,657 3.61,658 13.029,659 0.654,660 3.258,661 3.526,662 3.689,663 3.761,664 3.912,665 3.807,666 3.871,667 3.892,668 3.892,669 3.807,670 6.33,671 0.608,672 323.47,673 3.258,674 4.762,675 5.565,676 6.402,677 7.228,678 8.069,679 8.902,680 9.746,681 10.582,682 11.427,683 2,693 1,699 9,700 1,704 2,706 12,724 49,726 14,727 1,728 25,730 50,731 21,733 11,734 1,735 5,736 2,739 2,740 2,745 2,746 1,751 4,753 14,754 7,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 24,845 1,846 4,852 1,862 4.1,864 1,865 1,869 13.083,870 9.15,871 5.431,872 3.037,874 2.016,875 1.321,876 0.906,877 6.456,878 8.3,879 3.526,880 4.025,881 4.494,882 4.922,883 5.407,884 5.402,885 5.781,886 6.004,887 6.15,888 6.267,889 1,890 33,891 8.873,893 3.609,894 7.747,895 17.108,897 13.629,899 2.247,900 53.917,902 1,903 1,904 282.506,905 132.16,906 16.786,908 67.828,911 132.16,912 350.335,913 16.786,914 17.65,915 10.138,916 75.81,917 109.066,918 27.652,920 258.964,922 282.506,923 148.945,924 67.828,927 282.506,928 67.828,931 45.883,932 76.8,933 26.262,935 282.506,936 84.614,937 132.16,940 282.506,941 20.605,942 111.555,944 84.614,945 282.506,946 84.614,947 132.16,949 0.571,950 0.323,951 0.149,952 0.079,953 13,954 6,955 0.16,956 8,958 1,959 3.609,960 175.535,962 12,963 104.039,968 18.097,969 8.562,970 5.417,972 84.614,973 17.967,974 4.221,978 2.283,980 42.683,981 499.28,982 33,987 11.144,989 2.236,991 0.458,994 48.36,995 54.9,996 0.235,997 0.575,998 0.759,999 0.858,1000 0.878,1001 0.878,1002 4.727,1003 1,1004 5.557,1005 2.88,1006 4.205,1007 4.71,1008 2.258,1009 6.354,1010 4.192,1011 5.918,1012 1,1013 7.125,1014 2.284,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.887,1020 7.211,1021 1,1022 8.829,1023 2.136,1024 5.838,1025 6.782,1026 3.628,1027 10.591,1028 5.822,1029 8.548,1030 0.459,1031 10.618,1032 2.136,1033 6.415,1034 7.211,1035 4.112,1036 12.691,1037 6.409,1038 9.921,1039 -0.253,1040 12.463,1041 1.079,1042 7.863,1043 9.147,1044 5.201,1045 15.272,1046 7.848,1047 11.321,1048 -0.705,1049 14.344,1050 -0.585,1051 8.805,1052 9.962,1053 5.889,1054 17.613,1055 8.796,1056 12.741,1057 -0.877,1058 16.247,1059 -1.547,1060 10.076,1061 11.648,1062 6.849,1063 20.098,1064 10.063,1065 3.331,1066 -1,1067 18.165,1068 -2,1069 11.163,1070 12.675,1071 7.625,1072 22.515,1073 11.153,1074 3.006,1075 11.924,1076 20.095,1077 -2.001,1078 12.374,1079 14.223,1080 8.526,1081 24.978,1082 12.36,1083 2.278,1084 10.173,1085 22.031,1086 3.943,1087 13.518,1088 15.376,1089 9.342,1090 27.423,1091 13.505,1092 1.829,1093 6.4,1094 23.974,1095 3.522,1096 14.709,1097 16.845,1098 10.216,1099 29.883,1100 14.695,1101 1.637,1102 4.073,1103 25.921,1104 3.298,1105 15.878,1106 18.076,1107 11.051,1108 32.34,1109 15.863,1110 1.382,1111 3.576,1112 27.871,1113 2.58,1114 17.064,1115 19.498,1116 11.912,1117 34.803,1118 17.048,1119 1.317,1120 3.081,1121 29.824,1122 1.908,1123 18.244,1124 20.778,1125 12.755,1126 37.266,1127 18.227,1128 6270,1129 10062,1130 16.178,1131 32.052,1132 37.265,1133 37.378,1134 37.228,1135 36.487,1136 36.478,1137 47.237,1138 4.682,1139 99.485,1140 36.174,1141 5.307,1142 5.979,1143 7.008,1144 5.367,1145 5.331,1146 6.943,1147 3.925,1148 18.658,1149 5.327,1150 12.706,1151 1.491,1152 1.495,1153 1.489,1154 1.459,1155 1.459,1156 1.889,1157 0.187,1158 3.979,1159 1.447,1160 3.999,1161 4.029,1162 3.94,1163 3.944,1164 7.474,1165 3.939,1166 3.83,1167 3.871,1168 3.724,1169 3.719,1170 6.351,1171 3.712,1172 3.787,1173 3.827,1174 3.715,1175 3.696,1176 4.924,1177 3.695,1178 3.58,1179 3.636,1180 3.443,1181 3.454,1182 4.74,1183 3.443,1184 3.256,1185 3.311,1186 3.131,1187 3.132,1188 4.279,1189 3.12,1190 3.036,1191 3.048,1192 2.893,1193 2.758,1194 4.17,1195 2.747,1196 2.905,1197 3.009,1198 2.687,1199 2.735,1200 3.852,1201 2.715,1202 2.874,1203 2.991,1204 2.681,1205 2.637,1206 3.783,1207 2.687,1208 0.176,1209 0.159,1210 0.288,1211 0.173,1212 0.133,1213 4.406,1214 0.158,1215 3.979,1216 0.094,1217 7.206,1218 0.477,1219 4.332,1220 0.133,1221 3.331,1222 3.943,1223 2.341,1224 11.924,1225 3.327,1226 1.975,1227 1.951,1228 2.089,1229 2.052,1230 1.385,1231 2.065,1232 1.82,1233 1.777,1234 2.022,1235 1.967,1236 1.196,1237 1.986,1238 1.78,1239 1.744,1240 1.912,1241 1.893,1242 1.056,1243 1.903,1244 1.587,1245 1.533,1246 1.831,1247 1.757,1248 0.932,1249 1.784,1250 1.265,1251 1.209,1252 1.532,1253 1.435,1254 0.71,1255 1.469,1256 0.942,1257 0.864,1258 1.417,1259 1.276,1260 0.469,1261 1.308,1262 0.934,1263 0.821,1264 1.258,1265 1.239,1266 0.422,1267 1.213,1268 0.886,1269 0.817,1270 1.181,1271 1.138,1272 0.218,1273 1.173,1274 3.932,1276 5.209,1278 6.686,1280 8.245,1282 9.843,1284 3.576,1289 9.164,1290 3.511,1296 -0.644,1300 29.773,1301 64.786,1302 158.192,1303 208.94,1304 236.101,1305 241.611,1306 241.611,1307 53.318,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.99,1313 3.907,1314 3.17,1315 48.434,1316 88,1317 82,1318 0.257,1319 188.79,1320 332.8,1321 452.409,1322 3574,1324 17.416,1325 0.726,1326 0.6,1327 17.416,1328 14.405,1329 11.505,1330 0.46,1331 0.336,1332 8.353,1333 11.293,1334 8.038,1335 6.792,1336 11.505,1337 8.399,1338 10.203,1339 0.309,1340 0.202,1341 10.203,1342 6.66,1343 7.932,1344 0.203,1345 0.109,1346 7.932,1347 4.241,1348 5.407,1349 0.129,1350 0.062,1351 5.407,1352 2.607,1353 4.258,1354 0.087,1355 0.036,1356 4.258,1357 1.747,1358 0.407,1359 70.684,1360 0.249,1361 23.732,1362 0.692,1363 116,1364 297.53,1365 121.816,1366 295.831,1367 394.75,1368 274,1369 130,1370 278.779,1371 135.485,1372 289.484,1373 411.26,1374 270,1375 7.347} {0 CHEMBL96727,1 1.52,2 11.75,3 2.906,4 8.446,5 104.37,6 7.569,7 0.4,8 3.998,9 4.093,10 3.566,11 3.549,12 5.171,13 3.535,14 4.533,15 4.669,16 3.88,17 3.917,18 5.704,19 3.875,20 4.814,21 5.005,22 3.937,23 4.06,24 5.841,25 3.986,26 4.913,27 5.131,28 3.885,29 4.024,30 5.943,31 3.948,32 4.803,33 5.01,34 3.857,35 4.024,36 5.784,37 3.939,38 4.861,39 5.095,40 3.832,41 4.052,42 5.785,43 3.944,44 4.818,45 5.044,46 3.785,47 4.013,48 5.846,49 3.903,50 4.745,51 4.982,52 3.69,53 3.924,54 5.726,55 3.812,56 0.048,57 0.656,58 9.647,59 4.838,60 16.955,61 5.819,62 0.384,63 1.05,64 18.66,65 7.981,66 51.842,67 9.83,68 0.29,69 1.343,70 26.641,71 10.729,72 58.91,73 13.807,74 0.614,75 1.405,76 32.137,77 11.088,78 80.594,79 14.231,80 0.355,81 1.327,82 27.1,83 10.437,84 57.305,85 13.627,86 0.416,87 1.409,88 29.601,89 11.144,90 62.236,91 15.139,92 0.456,93 1.339,94 28.219,95 10.751,96 75.242,97 14.45,98 0.332,99 1.257,100 26.39,101 9.889,102 57.056,103 13.489,104 19,105 39,106 0.255,107 0.614,108 0.794,109 0.878,110 0.894,111 0.894,112 3.374,113 0.921,114 -3.56,115 -3.53,116 -3.37,118 44,120 3,121 1,124 1,126 1,127 1,133 2,140 6,141 3,143 2,154 2,163 1,167 1,168 13,169 1,171 1,172 9,175 1,177 1,180 12,181 1,186 11,191 1,194 8,195 1,197 1,198 12,203 1,206 7,207 1,210 8,215 1,218 10,219 1,221 1,222 6,227 1,229 13,230 1,233 2,234 6,239 1,242 14,247 3,248 2,255 11,256 1,258 2,259 5,262 2,264 1,267 8,268 1,270 1510,271 19.198,272 19.198,273 19.198,274 19.198,275 19.198,276 17.214,277 19.933,278 11.773,279 19.365,280 14.78,281 14.78,282 14.78,283 14.78,284 14.78,285 11.836,286 20.767,287 5.561,288 15.065,289 4.124,290 1.991,291 0.915,292 0.415,293 0.32,294 0.32,295 4.061,298 1,299 1,300 1,301 686,302 3.464,306 291.194,313 2.036,314 31.417,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 61,326 329,327 4.237,328 4.057,329 6.543,330 4.055,331 3.084,332 3.738,333 2.341,334 10.361,335 2.991,336 4.109,337 3.597,338 6.096,339 3.763,340 2.766,341 3.576,342 2.035,343 8.887,344 2.755,345 3.807,346 3.585,347 5.299,348 3.377,349 2.385,350 3.047,351 1.902,352 6.772,353 2.365,354 3.565,355 3.113,356 5.238,357 3.251,358 2.25,359 2.73,360 0.869,361 6.374,362 2.234,363 3.499,364 2.477,365 4.659,366 3.199,367 2.207,368 2.665,369 0.22,370 5.183,371 2.18,372 3.136,373 2.373,374 4.4,375 2.655,376 1.676,377 2.203,379 4.266,380 1.637,381 3.041,382 2.041,383 4.1,384 2.465,385 1.509,386 1.947,388 3.611,389 1.439,390 2.839,391 1.868,392 3.633,393 2.42,394 1.428,395 1.709,397 3.134,398 1.411,399 2.574,400 1.771,401 3.48,402 2,403 1,404 1.5,406 2.476,407 1,408 2.5,409 1.394,410 3.414,411 1.958,412 1,413 1.5,415 2.275,416 0.955,417 2.5,418 1.215,419 3.247,420 1.913,421 1,422 1.138,424 2.136,425 0.903,426 2.17,427 1,428 3.067,429 1.782,430 0.791,431 0.987,433 1.682,434 0.778,435 1.923,436 1,437 2.817,438 1.454,439 0.504,440 0.814,442 0.797,443 0.477,444 1.335,445 0.747,446 2.558,447 1.041,448 0.075,449 0.088,451 0.166,452 0.071,453 0.981,454 0.426,455 2.455,456 0.591,457 -0.384,458 -0.429,460 -0.81,461 -0.37,462 13.133,463 0.469,464 0.503,465 0.018,466 34.75,467 1.241,468 17.5,469 0.625,470 17.25,471 0.616,472 23.097,473 0.825,474 30.067,475 0.601,476 25.976,477 0.928,478 6.966,479 0.249,480 6.703,481 0.239,482 0.081,484 0.266,487 0.802,488 1.163,489 0.775,490 1.093,491 0.655,492 0.959,493 0.897,494 1.078,495 0.993,496 1.095,497 0.507,498 1.07,499 0.977,500 1.14,501 0.997,502 1.158,503 0.778,504 1.1,505 1.361,506 0.859,507 1.074,508 0.881,509 0.848,510 0.92,511 1.005,512 1.031,513 1.021,514 1.044,515 0.664,516 1.04,517 0.794,518 0.923,519 0.947,520 0.962,521 0.518,522 0.98,523 0.822,524 0.948,525 0.997,526 0.993,527 0.697,528 1.03,529 0.816,530 1.011,531 0.961,532 0.998,533 0.758,534 1.006,535 4.5,536 0.14,537 2.667,538 1.125,539 0.987,540 0.958,541 0.483,542 0.212,543 0.287,544 0.225,545 9656,546 30452,547 2.055,548 44,549 4,550 11,551 1,552 2,553 1,554 2,556 1,558 1.713,559 1.953,560 3.509,561 -0.358,562 1,563 1,567 75.978,568 1.52,569 3.653,570 4.728,571 5.229,572 5.324,573 5.324,574 3.111,575 4.093,576 4.766,577 3.7,578 1398.74,579 8.314,580 18963.3,582 1,584 1,585 282.193,586 1.255,587 4.752,588 0.15,589 0.006,590 0.068,591 0.028,592 0.027,593 0.026,594 0.013,595 0.006,596 0.009,597 0.008,598 0.343,599 0.33,600 1,601 1.647,602 141.827,603 -0.047,604 -0.063,605 0.032,606 -0.024,607 -0.023,608 0.012,609 0.1,610 -0.042,611 -0.097,612 -0.069,613 0.109,614 -0.111,615 -0.063,616 -0.169,617 -0.052,618 -0.148,619 -0.044,620 -0.107,621 -0.156,622 0.079,623 -0.044,624 0.085,625 -0.062,626 0.048,627 -0.097,628 -0.06,629 -0.06,630 -0.047,631 -0.032,632 -0.047,633 -0.01,634 0.042,635 0.023,636 0.029,637 0.014,638 0.032,639 0.008,640 0.01,641 -0.029,642 0.003,643 0.009,644 -0.021,645 -0.046,646 -0.05,647 0.01,648 -0.008,649 -0.069,650 0.008,651 2.465,652 3.614,653 0.643,654 32.638,655 1.007,656 1.12,657 2.327,658 5.417,659 0.669,660 3.434,661 3.689,662 3.912,663 4.127,664 4.382,665 4.454,666 4.595,667 4.673,668 4.787,669 4.852,670 6.965,671 0.643,672 378.46,673 3.434,674 4.934,675 5.753,676 6.597,677 7.44,678 8.297,679 9.153,680 10.019,681 10.883,682 11.753,683 4,692 1,693 1,699 8,700 1,704 3,706 12,707 1,724 50,726 15,727 1,728 30,730 52,731 22,733 11,734 2,735 4,739 3,740 3,748 1,749 1,751 4,752 1,753 14,754 7,755 1,756 2,761 1,763 2,765 1,768 1,769 1,772 22,773 6,774 1,775 6,779 2,784 1,785 4,795 1,802 3,818 1,822 2,830 1,831 2,832 3,840 28,845 1,846 4,848 2,850 3,853 1,858 1,860 1,862 8,864 1,865 1,866 2,869 14.333,870 8.683,871 6.417,872 2.962,874 2.126,875 1.297,876 0.925,877 7.055,878 9.289,879 3.714,880 4.159,881 4.615,882 5.059,883 5.545,884 5.643,885 5.949,886 6.071,887 6.398,888 6.756,889 1,890 40,891 10.336,893 4.326,894 7.935,895 19.507,897 15.745,899 2.435,900 68.167,903 1,904 247.193,905 133.529,906 47.845,908 89.828,911 133.529,912 337.021,913 47.845,915 12.196,916 76.17,917 147.667,918 58.711,919 11.771,920 211.88,922 247.193,923 181.374,924 89.828,927 235.422,928 79.599,929 22,930 0.36,931 61.35,932 83.926,933 35.738,935 247.193,936 137.673,937 133.529,940 247.553,941 22.663,942 93.905,943 16.602,944 137.673,945 247.193,946 137.673,947 133.529,949 0.559,950 0.313,951 0.164,952 0.093,953 16,954 7,955 0.135,956 7,958 1,959 4.033,960 228.501,962 18,963 130.606,968 19.917,969 9.917,970 5.583,972 137.673,973 14.571,974 4.204,978 2.435,980 42.683,981 518.395,982 40,987 10.614,989 3.882,991 -0.799,994 50.349,995 55.986,996 0.269,997 0.647,998 0.838,999 0.926,1000 0.943,1001 0.943,1002 4.927,1003 1.428,1004 5.694,1005 3.611,1006 4.369,1007 4.844,1008 3.25,1009 6.435,1010 4.33,1011 6.083,1012 1,1013 7.204,1014 3.134,1015 3.761,1016 4.27,1017 2.521,1018 7.235,1019 3.727,1020 7.341,1021 1,1022 8.819,1023 2.476,1024 5.883,1025 6.828,1026 4.518,1027 10.317,1028 5.81,1029 8.625,1030 1,1031 10.5,1032 2.275,1033 6.133,1034 7.07,1035 4.358,1036 12.007,1037 6.055,1038 9.94,1039 0.791,1040 12.225,1041 2.136,1042 7.678,1043 9.077,1044 5.948,1045 14.591,1046 7.565,1047 11.274,1048 0.504,1049 13.981,1050 1.682,1051 8.35,1052 9.727,1053 6.075,1054 16.643,1055 8.22,1056 12.626,1057 0.075,1058 15.761,1059 0.797,1060 9.641,1061 11.465,1062 7.453,1063 19.056,1064 9.48,1065 3.084,1066 -0.384,1067 17.557,1068 0.166,1069 10.53,1070 12.35,1071 7.759,1072 21.262,1073 10.344,1074 2.766,1075 10.361,1076 19.367,1077 -0.81,1078 11.709,1079 13.933,1080 9.005,1081 23.615,1082 11.493,1083 2.385,1084 8.887,1085 21.187,1086 3.738,1087 12.708,1088 14.963,1089 9.435,1090 25.887,1091 12.462,1092 2.25,1093 6.772,1094 23.016,1095 3.576,1096 13.841,1097 16.45,1098 10.59,1099 28.22,1100 13.565,1101 2.207,1102 6.374,1103 24.851,1104 3.047,1105 14.897,1106 17.574,1107 11.114,1108 30.521,1109 14.588,1110 1.676,1111 5.183,1112 26.691,1113 2.73,1114 16.013,1115 18.999,1116 12.201,1117 32.849,1118 15.673,1119 1.509,1120 4.266,1121 28.536,1122 2.665,1123 17.097,1124 20.184,1125 12.798,1126 35.166,1127 16.724,1128 9565,1129 17056,1130 20.167,1131 33.443,1132 45.133,1133 46.615,1134 44.385,1135 43.32,1136 43.351,1137 55.286,1138 14.733,1139 116.237,1140 42.394,1141 5.237,1142 6.057,1143 6.345,1144 5.127,1145 5.084,1146 6.738,1147 4.376,1148 17.109,1149 4.991,1150 12.79,1151 1.504,1152 1.554,1153 1.48,1154 1.444,1155 1.445,1156 1.843,1157 0.491,1158 3.875,1159 1.413,1160 3.999,1161 4.023,1162 3.937,1163 3.904,1164 7.474,1165 3.907,1166 3.88,1167 3.912,1168 3.821,1169 3.807,1170 6.82,1171 3.806,1172 3.755,1173 3.799,1174 3.65,1175 3.643,1176 6.351,1177 3.636,1178 3.622,1179 3.656,1180 3.526,1181 3.445,1182 4.94,1183 3.454,1184 3.388,1185 3.409,1186 3.31,1187 3.187,1188 4.803,1189 3.21,1190 3.209,1191 3.25,1192 3.146,1193 3.055,1194 4.559,1195 3.07,1196 2.965,1197 3.015,1198 2.828,1199 2.795,1200 4.366,1201 2.791,1202 2.946,1203 2.996,1204 2.82,1205 2.735,1206 4.066,1207 2.715,1208 0.141,1209 0.135,1210 0.218,1211 0.135,1212 0.103,1213 4.237,1214 0.125,1215 4.057,1216 0.078,1217 6.543,1218 0.345,1219 4.055,1220 0.1,1221 3.084,1222 3.738,1223 2.341,1224 10.361,1225 2.991,1226 1.94,1227 1.918,1228 2.057,1229 2.064,1230 1.36,1231 2.06,1232 1.875,1233 1.844,1234 1.995,1235 1.966,1236 1.144,1237 1.976,1238 1.748,1239 1.704,1240 1.925,1241 1.892,1242 1.107,1243 1.906,1244 1.573,1245 1.532,1246 1.784,1247 1.774,1248 0.935,1249 1.774,1250 1.302,1251 1.274,1252 1.51,1253 1.544,1254 0.66,1255 1.526,1256 1.153,1257 1.117,1258 1.294,1259 1.339,1260 0.456,1261 1.323,1262 0.94,1263 0.888,1264 1.215,1265 1.172,1266 0.397,1267 1.179,1268 0.886,1269 0.821,1270 1.181,1271 1.164,1272 0.271,1273 1.157,1274 4.111,1276 5.38,1278 6.849,1280 8.411,1282 10.026,1289 8.724,1290 1.864,1292 12.21,1294 -0.6,1298 8.957,1299 2.105,1300 32.17,1301 75.978,1302 182.655,1303 236.418,1304 261.438,1305 266.193,1306 266.193,1307 59.521,1308 7.162,1309 92.44,1310 92.44,1311 18,1312 12.298,1313 4,1314 3.459,1315 49.538,1316 109,1317 134,1318 0.211,1319 199.921,1320 361.04,1321 479.568,1322 11330,1324 19.769,1325 0.706,1326 0.55,1327 19.769,1328 15.4,1329 13.669,1330 0.456,1331 0.307,1332 9.088,1333 13.17,1334 8.927,1335 7.375,1336 13.669,1337 9.209,1338 11.616,1339 0.298,1340 0.17,1341 11.616,1342 6.642,1343 9.336,1344 0.191,1345 0.094,1346 9.336,1347 4.615,1348 7.432,1349 0.122,1350 0.052,1351 7.432,1352 3.154,1353 6.118,1354 0.077,1355 0.028,1356 6.118,1357 2.212,1358 0.332,1359 85.747,1360 0.223,1361 27.025,1362 0.576,1363 138,1364 446.647,1365 152.481,1366 425.041,1367 558.65,1368 396,1369 157,1370 382.188,1371 170.793,1372 386.525,1373 559.24,1374 362,1375 7.699} {0 CHEMBL97891,1 1.464,2 9.826,3 4.923,4 24.232,5 96.218,6 7.163,7 0.458,8 3.873,9 3.987,10 3.444,11 3.497,12 4.949,13 3.411,14 4.394,15 4.57,16 3.768,17 3.883,18 5.45,19 3.759,20 4.668,21 4.881,22 3.742,23 3.986,24 5.637,25 3.833,26 4.826,27 5.076,28 3.693,29 3.988,30 5.787,31 3.814,32 4.704,33 4.951,34 3.69,35 3.973,36 5.546,37 3.782,38 4.688,39 4.941,40 3.538,41 3.906,42 5.538,43 3.706,44 4.598,45 4.877,46 3.284,47 3.737,48 5.432,49 3.523,50 4.356,51 4.625,52 3.188,53 3.557,54 5.159,55 3.365,56 0.04,57 0.598,58 10.585,59 4.909,60 9.231,61 6.255,62 0.189,63 0.983,64 19.73,65 8.357,66 40.12,67 10.778,68 0.128,69 1.226,70 26.27,71 10.774,72 28.629,73 14.018,74 0.391,75 1.335,76 32.699,77 11.875,78 72.047,79 15.049,80 0.211,81 1.28,82 30.81,83 11.457,84 35.776,85 14.747,86 0.205,87 1.242,88 28.767,89 10.867,90 37.349,91 14.199,92 0.216,93 1.101,94 26.681,95 9.787,96 40.361,97 12.908,98 0.142,99 0.87,100 20.42,101 7.783,102 24.327,103 10.292,104 24,105 32,106 0.254,107 0.603,108 0.788,109 0.861,110 0.861,111 0.861,112 3.187,113 1.095,114 -4.47,115 -4.39,116 -4.14,118 41.3,119 2,120 4,122 1,133 1,134 1,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 12,169 1,172 3,175 1,177 1,180 15,181 3,186 5,191 3,194 14,195 1,198 2,203 1,206 14,207 1,210 4,215 1,218 13,219 1,222 3,227 1,229 10,230 1,234 2,239 1,242 8,243 1,247 2,252 1,255 7,256 1,259 2,264 1,267 8,268 3,270 798,271 15.181,272 15.181,273 15.181,274 15.181,275 15.181,276 13.481,277 7.993,278 9.226,279 15.453,280 11.827,281 11.827,282 11.827,283 11.827,284 11.827,285 9.39,286 7.648,287 4.334,288 12.251,289 4.06,290 2.045,291 0.979,292 0.555,293 0.555,294 0.555,295 3.845,299 1,300 1,301 463,302 4.243,305 76.049,306 89.485,313 1.357,314 18.092,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 48.5,326 226,327 4.406,328 3.979,329 7.206,330 4.332,331 3.331,332 3.954,333 2.341,334 11.924,335 3.327,336 4.375,337 3.028,338 6.499,339 3.982,340 3.011,341 3.522,343 10.176,344 2.928,345 3.748,346 2.576,347 5.254,348 3.227,349 2.29,350 3.313,352 6.425,353 2.132,354 3.258,355 2.291,356 4.406,357 2.801,358 1.821,359 2.537,361 4.077,362 1.78,363 2.882,364 1.973,365 4.227,366 2.59,367 1.614,368 1.877,370 3.569,371 1.563,372 2.737,373 1.587,374 3.663,375 2.38,376 1.378,377 1.77,379 3.061,380 1.358,381 2.562,382 1.218,383 3.488,384 2.15,385 1.18,386 1.558,388 2.647,389 1.137,390 2.5,391 1.071,392 3.248,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 2.276,400 1,401 3.247,402 1.894,403 0.917,404 1.148,406 2.039,407 0.887,408 2.118,409 0.618,410 3,411 1.466,412 0.618,413 0.927,415 1.372,416 0.507,417 1.587,418 0.48,419 2.942,420 1.358,421 0.385,422 0.46,424 0.92,425 0.372,426 0.871,427 0.39,428 2.505,429 0.7,430 -0.289,431 -0.308,433 -0.674,434 -0.285,435 0.547,436 -0.146,437 2.092,438 0.163,439 -0.807,440 -1,442 -1.809,443 -0.777,444 0.5,445 -0.795,446 2,448 -1,449 -1.043,451 -2,452 -0.961,453 0.447,454 -0.961,455 2,457 -1,458 -1.246,460 -2.347,461 -0.974,462 11.4,463 0.496,464 0.581,465 0.025,466 26,467 1.13,468 13,469 0.565,470 13,471 0.565,472 21.919,473 0.953,474 25.2,475 0.548,476 16.413,477 0.714,478 4.658,479 0.203,480 6.347,481 0.276,482 0.146,483 0.044,484 0.175,487 0.75,488 1.09,489 0.834,490 0.964,491 0.73,492 0.992,493 0.451,494 0.999,495 0.896,496 0.973,497 0.395,498 0.98,499 0.736,500 1.18,501 0.974,502 1.142,503 0.724,504 1.148,505 1.623,506 0.776,507 0.96,508 0.755,509 1.706,510 0.871,511 0.722,512 1.031,513 1.096,514 1.077,515 0.713,516 1.008,517 0.805,518 1.069,519 1.072,520 1.062,521 0.764,522 1.083,523 0.846,524 0.916,525 1.017,526 0.96,527 0.794,528 0.983,529 0.69,530 0.913,531 0.923,532 0.935,533 0.681,534 0.944,535 4.5,536 0.181,537 2.889,538 1.09,539 0.591,540 0.393,541 0.266,542 0.161,543 0.262,544 0.281,545 5539,546 15261,547 1.961,548 50,549 14,550 5,551 1,552 2,553 1,558 1.656,559 1.828,560 3.231,561 -0.369,567 67.331,568 1.464,569 3.479,570 4.545,571 4.969,572 4.969,573 4.969,574 2.577,575 4.002,576 4.498,577 3.449,578 872.569,579 7.736,580 10560.1,582 1,585 254.084,586 1.51,587 4.439,588 0.188,589 0.009,590 0.09,591 0.036,592 0.022,593 0.015,594 0.012,595 0.009,596 0.015,597 0.013,598 0.408,599 0.33,600 1,601 2.012,602 109.449,603 -0.041,604 0.014,605 0.048,606 0.069,607 -0.056,608 0.037,609 0.203,610 0.064,611 0.059,612 0.063,613 0.224,614 0.04,615 0.013,616 -0.192,617 -0.071,618 -0.168,619 0.046,620 -0.15,621 -0.229,622 0.152,623 -0.017,624 0.172,625 -0.236,626 0.077,627 -0.018,628 -0.038,629 -0.02,630 -0.02,631 -0.042,632 0.002,633 -0.063,634 -0.085,635 -0.097,636 -0.079,637 -0.069,638 -0.096,639 -0.063,640 0.036,641 -0.061,642 -0.007,643 -0.046,644 -0.006,645 -0.006,646 0.04,647 0.01,648 0.024,649 -0.026,650 0.046,651 2.386,652 4.116,653 0.478,654 19.074,655 0.99,656 1.117,657 3.237,658 10.476,659 0.673,660 3.219,661 3.497,662 3.664,663 3.738,664 3.784,665 3.761,666 3.784,667 3.761,668 3.761,669 3.664,670 6.207,671 0.618,672 329.5,673 3.219,674 4.727,675 5.533,676 6.375,677 7.204,678 8.049,679 8.885,680 9.732,681 10.57,682 11.418,683 2.2,693 1,699 7,700 1,703 1,704 2,706 11,724 46,726 13,728 24,730 47,731 19,733 9,736 2,739 2,740 2,745 2,746 1,751 4,753 12,754 7,756 2,761 1,763 1,765 2,772 23,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,836 2,840 23,845 1,846 4,852 1,856 1,862 4.3,864 1,865 1,869 12.583,870 8.65,871 5.181,872 2.829,874 1.825,875 1.296,876 0.908,877 6.378,878 7.996,879 3.481,880 3.984,881 4.456,882 4.884,883 5.178,884 5.331,885 5.63,886 5.796,887 5.913,888 5.976,889 1,890 30,891 8.51,893 3.476,894 7.75,895 16.432,897 13.176,899 2.25,900 51.75,903 1,904 258.964,905 140.831,906 16.786,908 67.828,910 31.278,911 109.553,912 326.793,913 16.786,914 17.65,915 10.138,916 55.03,917 109.066,918 24.466,919 13.13,920 254.929,922 258.964,923 126.339,924 67.828,925 31.278,927 258.964,928 67.828,931 45.883,932 54.193,933 26.262,934 31.278,935 258.964,936 84.614,937 140.831,940 258.964,941 50.055,942 90.776,944 84.614,945 258.964,946 84.614,947 140.831,949 0.574,950 0.327,951 0.149,952 0.071,953 13,954 6,955 0.17,956 8,958 1,959 3.53,960 165.219,962 11,963 102.042,964 1,968 17.713,969 8.282,970 5.193,972 84.614,973 13.951,974 4.21,977 1.724,978 2.365,980 42.683,981 484.409,982 31.5,987 11.116,989 2.247,991 0.494,994 45.552,995 51.404,996 0.265,997 0.63,998 0.823,999 0.9,1000 0.9,1001 0.9,1002 4.689,1003 1,1004 5.533,1005 2.647,1006 4.174,1007 4.668,1008 2.258,1009 6.34,1010 4.116,1011 5.884,1012 0.917,1013 7.109,1014 2.136,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.849,1020 7.183,1021 0.618,1022 8.818,1023 2.039,1024 5.82,1025 6.747,1026 3.628,1027 10.589,1028 5.737,1029 8.526,1030 0.385,1031 10.612,1032 1.372,1033 6.431,1034 7.266,1035 4.112,1036 12.693,1037 6.364,1038 9.907,1039 -0.289,1040 12.46,1041 0.92,1042 7.855,1043 9.117,1044 5.201,1045 15.272,1046 7.767,1047 11.313,1048 -0.807,1049 14.342,1050 -0.674,1051 8.817,1052 10.024,1053 5.889,1054 17.614,1055 8.739,1056 12.738,1057 -1,1058 16.247,1059 -1.809,1060 10.075,1061 11.629,1062 6.849,1063 20.099,1064 9.988,1065 3.331,1066 -1,1067 18.166,1068 -2,1069 11.172,1070 12.733,1071 7.625,1072 22.516,1073 11.091,1074 3.011,1075 11.924,1076 20.095,1077 -2.347,1078 12.376,1079 14.218,1080 8.526,1081 24.979,1082 12.291,1083 2.29,1084 10.176,1085 22.032,1086 3.954,1087 13.525,1088 15.429,1089 9.342,1090 27.423,1091 13.443,1092 1.821,1093 6.425,1094 23.975,1095 3.522,1096 14.713,1097 16.853,1098 10.216,1099 29.884,1100 14.63,1101 1.614,1102 4.077,1103 25.921,1104 3.313,1105 15.883,1106 18.125,1107 11.051,1108 32.34,1109 15.802,1110 1.378,1111 3.569,1112 27.871,1113 2.537,1114 17.068,1115 19.519,1116 11.912,1117 34.804,1118 16.988,1119 1.18,1120 3.061,1121 29.824,1122 1.877,1123 18.248,1124 20.827,1125 12.755,1126 37.267,1127 18.17,1128 5641,1129 9444,1130 15.485,1131 30.938,1132 36.022,1133 35.802,1134 35.691,1135 35.006,1136 35.089,1137 45.135,1138 4.682,1139 96.688,1140 33.893,1141 5.307,1142 5.979,1143 7.008,1144 5.394,1145 5.331,1146 6.954,1147 3.925,1148 18.673,1149 5.297,1150 12.316,1151 1.501,1152 1.492,1153 1.487,1154 1.459,1155 1.462,1156 1.881,1157 0.195,1158 4.029,1159 1.412,1160 3.984,1161 4.007,1162 4.233,1163 3.984,1164 7.473,1165 3.934,1166 3.828,1167 3.868,1168 3.805,1169 3.73,1170 6.351,1171 3.706,1172 3.755,1173 3.78,1174 3.722,1175 3.699,1176 4.919,1177 3.68,1178 3.572,1179 3.627,1180 3.447,1181 3.449,1182 4.67,1183 3.434,1184 3.228,1185 3.286,1186 3.109,1187 3.099,1188 4.265,1189 3.086,1190 3.033,1191 3.047,1192 2.884,1193 2.732,1194 4.151,1195 2.727,1196 2.874,1197 3.009,1198 2.682,1199 2.637,1200 3.839,1201 2.682,1202 2.874,1203 2.956,1204 2.663,1205 2.618,1206 3.77,1207 2.57,1208 0.184,1209 0.166,1210 0.3,1211 0.18,1212 0.139,1213 4.406,1214 0.165,1215 3.979,1216 0.098,1217 7.206,1218 0.497,1219 4.332,1220 0.139,1221 3.331,1222 3.954,1223 2.341,1224 11.924,1225 3.327,1226 1.907,1227 1.879,1228 2.056,1229 2.008,1230 1.383,1231 2.024,1232 1.812,1233 1.769,1234 1.974,1235 1.955,1236 1.159,1237 1.966,1238 1.615,1239 1.57,1240 1.833,1241 1.771,1242 0.999,1243 1.794,1244 1.473,1245 1.428,1246 1.662,1247 1.594,1248 0.755,1249 1.619,1250 1.366,1251 1.351,1252 1.527,1253 1.453,1254 0.67,1255 1.506,1256 1.088,1257 1.038,1258 1.417,1259 1.276,1260 0.565,1261 1.308,1262 0.934,1263 0.817,1264 1.279,1265 1.239,1266 0.469,1267 1.295,1268 0.857,1269 0.804,1270 1.068,1271 1.215,1272 0.276,1273 1.204,1274 3.892,1276 5.176,1277 2.398,1278 6.645,1279 4.443,1280 8.196,1281 6.293,1282 9.788,1284 3.579,1289 9.142,1290 3.557,1296 -0.635,1300 28.433,1301 67.331,1302 160.026,1303 209.064,1304 228.574,1305 228.574,1306 228.574,1307 50.039,1308 6.172,1309 50.19,1310 78.43,1311 11,1312 11.979,1313 3.807,1314 3.087,1315 45.371,1316 84,1317 74,1318 0.256,1319 183.664,1320 319.35,1321 439.9,1322 3060,1324 16.709,1325 0.726,1326 0.629,1327 17.062,1328 14.475,1329 11.005,1330 0.459,1331 0.365,1332 7.915,1333 10.303,1334 7.531,1335 6.348,1336 11.459,1337 8.763,1338 9.849,1339 0.308,1340 0.226,1341 10.432,1342 7.219,1343 7.682,1344 0.202,1345 0.128,1346 8.348,1347 4.846,1348 5.23,1349 0.128,1350 0.077,1351 5.912,1352 3.168,1353 3.646,1354 0.085,1355 0.043,1356 4.024,1357 1.862,1358 0.407,1359 72.225,1360 0.254,1361 22.904,1362 0.686,1363 112,1364 298.391,1365 140.098,1366 314.86,1367 418.33,1368 292,1369 126,1370 279.179,1371 149.858,1372 302.621,1373 431.84,1374 282,1375 7.319} {0 CHEMBL97892,1 1.399,2 8.15,3 3.177,4 10.096,5 79.106,6 7.226,7 0.571,8 3.671,9 3.779,10 3.197,11 3.274,12 4.835,13 3.233,14 4.14,15 4.296,16 3.453,17 3.613,18 5.339,19 3.533,20 4.4,21 4.62,22 3.425,23 3.711,24 5.381,25 3.595,26 4.361,27 4.58,28 3.388,29 3.679,30 5.329,31 3.56,32 4.378,33 4.583,34 3.436,35 3.717,36 5.405,37 3.603,38 4.472,39 4.713,40 3.353,41 3.721,42 5.395,43 3.574,44 4.42,45 4.687,46 3.202,47 3.572,48 5.325,49 3.411,50 4.231,51 4.503,52 3.071,53 3.248,54 5.359,55 3.129,56 0.027,57 0.465,58 7.407,59 3.559,60 8.142,61 4.545,62 0.149,63 0.736,64 12.678,65 5.689,66 34.079,67 7.589,68 0.157,69 0.91,70 18.049,71 7.467,72 35.653,73 10.063,74 0.137,75 0.879,76 17.244,77 7.21,78 30.875,79 9.763,80 0.127,81 0.907,82 17.223,83 7.26,84 31.18,85 9.782,86 0.136,87 1.005,88 19.505,89 7.86,90 30.037,91 10.997,92 0.119,93 0.932,94 19.095,95 7.471,96 26.084,97 10.609,98 0.115,99 0.731,100 16.377,101 5.94,102 30.473,103 8.23,104 10,105 26,106 0.253,107 0.579,108 0.742,109 0.848,110 0.875,111 0.875,112 3.057,113 0.95,114 -3.92,115 -3.87,116 -3.68,118 45.9,120 3,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 14,169 1,172 3,175 1,177 1,180 16,181 1,186 3,191 1,194 16,195 1,198 3,203 1,206 15,207 1,210 4,215 1,218 14,219 1,222 4,227 1,229 10,230 2,234 4,239 2,242 5,243 3,247 3,248 1,252 3,255 1,256 3,258 1,259 3,262 1,264 3,268 1,270 614,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.789,277 5.568,278 8.69,279 13.727,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.755,286 3.363,287 4.171,288 10.514,289 3.81,290 2.01,291 1.112,292 0.527,293 0.378,294 0.378,295 3.721,298 1,299 1,300 1,301 335,302 3.317,306 144.652,313 1.165,314 15.201,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42.5,326 163,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.023,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.237,349 2.232,350 2.713,352 5.184,353 2.219,354 3.274,355 1.962,356 4.214,357 2.763,358 1.776,359 2.575,361 4.019,362 1.751,363 2.781,364 1.606,365 3.567,366 2.427,367 1.431,368 1.908,370 2.972,371 1.421,372 2.697,373 1.317,374 3.555,375 2.3,376 1.317,377 1.706,379 2.88,380 1.292,381 2.5,382 1.107,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 2.202,400 1,401 3.197,402 1.797,403 0.8,404 1.057,406 1.879,407 0.794,408 1.295,409 0.581,410 2.558,411 1.122,412 0.122,413 0.136,415 0.274,416 0.121,417 0.744,418 0.286,419 2.198,420 0.325,421 -0.681,422 -0.799,424 -1.544,425 -0.664,426 0.719,427 -0.376,428 1.851,429 0.274,430 -0.705,431 -0.952,433 -1.547,434 -0.692,435 0.5,436 -0.705,437 1.555,439 -1,440 -1.335,442 -2,443 -0.963,444 0.5,445 -0.94,446 1.555,447 -0.002,448 -1,449 -1.5,451 -2.347,452 -0.974,453 0.438,454 -1,455 1.134,456 -0.026,457 -1,458 -1.5,460 -2.347,461 -1,462 9.567,463 0.478,464 0.315,465 0.016,466 26.5,467 1.325,468 15,469 0.75,470 11.5,471 0.575,472 13.076,473 0.654,474 21.033,475 0.568,476 17.426,477 0.871,478 5.429,479 0.271,480 4.342,481 0.217,482 0.07,484 0.209,487 0.748,488 1.069,489 0.837,490 0.987,491 0.712,492 0.936,493 0.456,494 1.112,495 0.962,496 1.111,497 0.42,498 1.101,499 0.869,500 0.928,501 0.981,502 0.938,503 0.915,504 0.972,505 0.788,506 0.963,507 0.977,508 0.973,509 0.812,510 0.998,511 0.808,512 1.089,513 1.053,514 1.073,515 0.789,516 1.094,517 0.633,518 1.093,519 1.054,520 1.09,521 0.584,522 1.116,523 0.575,524 1.059,525 0.95,526 1.072,527 0.545,528 1.056,529 0.982,530 1.008,531 0.818,532 1.011,533 0.899,534 0.905,535 2.5,536 0.049,537 1.556,538 1,539 0.462,540 0.194,541 0.199,542 0.26,543 0.164,544 0.089,545 3577,546 10619,547 2.024,548 45.9,549 4,550 8,552 2,553 1,554 2,558 1.622,559 1.935,560 3.033,561 -0.37,563 1,565 1,567 51.776,568 1.399,569 3.199,570 4.097,571 4.682,572 4.831,573 4.831,574 2.423,575 2.904,576 4.288,577 3.203,578 608.602,579 7.352,580 6447.71,581 1,582 1,583 1,584 1,585 192.75,586 1.157,587 4.273,588 0.119,589 0.012,590 0.06,591 0.04,592 0.019,593 0.008,594 0.009,595 0.014,596 0.011,597 0.009,598 0.302,599 0.83,600 1,601 1.629,602 89.008,603 -0.055,604 -0.002,605 0.006,606 0.042,607 -0.061,608 0.031,609 0.198,610 -0.07,611 -0.088,612 -0.105,613 0.205,614 -0.128,615 -0.084,616 0.042,617 -0.039,618 0.056,619 -0.104,620 0.019,621 -0.064,622 0.01,623 -0.043,624 0.022,625 -0.086,626 -0.004,627 -0.082,628 -0.098,629 -0.132,630 -0.081,631 -0.071,632 -0.111,633 -0.038,634 -0.097,635 -0.12,636 -0.117,637 -0.047,638 -0.126,639 0.042,640 -0.091,641 0.013,642 -0.106,643 0.023,644 -0.056,645 0.088,646 -0.076,647 0.217,648 -0.065,649 0.169,650 0.074,651 2.416,652 3.553,653 0.6,654 15.9,655 0.995,656 1.115,657 2.689,658 7.232,659 0.676,660 3.091,661 3.296,662 3.466,663 3.664,664 3.829,665 3.714,666 3.807,667 3.807,668 3.611,669 3.367,670 5.233,671 0.64,672 267.35,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.479,681 10.315,682 11.158,683 2.7,693 1,699 9,700 1,704 2,706 12,724 37,726 14,727 1,728 21,730 38,731 17,733 11,734 1,735 5,736 2,739 2,740 2,751 3,753 14,754 3,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 20,845 1,846 3,862 5.4,864 1,865 1,869 10.333,870 6.4,871 4.639,872 2.225,874 2.103,875 1.35,876 0.932,877 5.22,878 8.109,879 3.401,880 3.892,881 4.376,882 4.892,883 5.389,884 5.393,885 5.778,886 6.019,887 6.124,888 6.196,889 1,890 25,891 7.347,893 2.96,894 7.858,895 13.983,897 10.907,899 2.358,900 47.167,901 0.001,904 188.338,905 111.975,906 16.786,908 67.828,911 111.975,912 256.166,913 16.786,915 7.604,916 75.81,917 109.066,918 27.652,920 164.795,922 188.338,923 128.761,924 67.828,927 188.338,928 67.828,931 25.698,932 76.8,933 26.262,935 188.338,936 84.614,937 111.975,940 188.338,941 18.07,942 93.905,944 84.614,945 188.338,946 84.614,947 111.975,949 0.548,950 0.295,951 0.163,952 0.09,953 10,954 4,955 0.158,956 6,958 1,959 3.297,960 136.313,962 12,963 82.439,968 14.168,969 7.369,970 4.428,972 84.614,973 17.577,974 4.153,978 2.171,980 42.683,981 384.926,982 29,987 10.553,989 2.093,991 0.352,994 36.825,995 41.239,996 0.269,997 0.614,998 0.786,999 0.899,1000 0.927,1001 0.927,1002 4.554,1003 1,1004 5.252,1005 2.136,1006 3.97,1007 4.575,1008 2.258,1009 5.943,1010 3.954,1011 5.709,1012 0.8,1013 6.725,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.959,1021 0.122,1022 8.312,1023 1.879,1024 5.416,1025 6.627,1026 3.628,1027 9.793,1028 5.392,1029 8.248,1030 -0.681,1031 9.975,1032 0.274,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.573,1039 -0.705,1040 11.695,1041 -1.544,1042 7.171,1043 8.96,1044 5.201,1045 14.115,1046 7.145,1047 10.924,1048 -1,1049 13.454,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.297,1057 -1,1058 15.242,1059 -2,1060 9.113,1061 11.445,1062 6.849,1063 18.633,1064 9.087,1065 3.006,1066 -1,1067 17.051,1068 -2.347,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.876,1077 -2.347,1078 11.171,1079 14.023,1080 8.526,1081 23.227,1082 11.145,1083 2.232,1084 6.4,1085 20.711,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.776,1093 5.184,1094 22.556,1095 3.298,1096 13.295,1097 16.66,1098 10.216,1099 27.849,1100 13.27,1101 1.431,1102 4.019,1103 24.406,1104 2.713,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 2.972,1112 26.261,1113 2.575,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.43,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 3656,1129 6364,1130 14.099,1131 25.006,1132 30.362,1133 30.673,1134 30.457,1135 29.945,1136 29.925,1137 40.671,1138 4.682,1139 76.106,1140 29.625,1141 5.185,1142 5.596,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 8.109,1151 1.446,1152 1.461,1153 1.45,1154 1.426,1155 1.425,1156 1.937,1157 0.223,1158 3.624,1159 1.411,1160 3.995,1161 4.024,1162 3.938,1163 3.941,1164 7.474,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.704,1170 6.351,1171 3.702,1172 3.694,1173 3.738,1174 3.577,1175 3.548,1176 4.924,1177 3.543,1178 3.382,1179 3.409,1180 3.292,1181 3.22,1182 4.74,1183 3.229,1184 3.038,1185 3.074,1186 2.913,1187 2.841,1188 4.239,1189 2.853,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.841,1195 2.715,1196 2.773,1197 2.854,1198 2.628,1199 2.626,1200 3.772,1201 2.613,1202 2.675,1203 2.744,1204 2.538,1205 2.499,1206 3.674,1207 2.505,1208 0.208,1209 0.171,1210 0.309,1211 0.191,1212 0.143,1213 4.369,1214 0.188,1215 3.596,1216 0.111,1217 6.498,1218 0.484,1219 4.005,1220 0.143,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.974,1227 1.95,1228 2.08,1229 2.049,1230 1.281,1231 2.06,1232 1.783,1233 1.748,1234 1.928,1235 1.894,1236 1.114,1237 1.905,1238 1.677,1239 1.628,1240 1.887,1241 1.854,1242 0.934,1243 1.868,1244 1.328,1245 1.295,1246 1.53,1247 1.536,1248 0.672,1249 1.526,1250 0.982,1251 0.943,1252 1.221,1253 1.217,1254 0.352,1255 1.214,1256 0.886,1257 0.821,1258 1.181,1259 1.062,1260 0.218,1261 1.107,1262 0.771,1263 0.705,1264 1.052,1265 0.992,1266 0.111,1267 1.016,1268 0.667,1269 0.594,1270 0.964,1271 0.927,1272 0.018,1273 0.945,1274 3.761,1276 4.99,1278 6.418,1280 7.938,1282 9.51,1289 8.682,1290 1.586,1300 23.665,1301 51.776,1302 118.369,1303 151.589,1304 173.24,1305 178.75,1306 178.75,1307 32.647,1308 6.006,1309 50.19,1310 50.19,1311 12,1312 11.723,1313 3.907,1314 3.17,1315 36.194,1316 57,1317 68,1318 0.29,1319 150.421,1320 263.6,1321 358.787,1322 2411,1324 14.209,1325 0.71,1326 0.56,1327 14.209,1328 11.197,1329 9.771,1330 0.465,1331 0.317,1332 6.603,1333 9.547,1334 6.457,1335 5.402,1336 9.771,1337 6.649,1338 8.138,1339 0.313,1340 0.174,1341 8.138,1342 4.511,1343 6.08,1344 0.196,1345 0.097,1346 6.08,1347 3.001,1348 4.914,1349 0.129,1350 0.054,1351 4.914,1352 2.042,1353 3.913,1354 0.087,1355 0.03,1356 3.913,1357 1.353,1358 0.446,1359 60.28,1360 0.266,1361 20.044,1362 0.821,1363 94,1364 275.53,1365 99.816,1366 271.253,1367 359.87,1368 252,1369 104,1370 250.779,1371 108.157,1372 257.052,1373 364.6,1374 242,1375 6.553} {0 CHEMBL97917,1 1.277,2 8.9,3 3.711,4 13.772,5 83.97,6 6.522,7 0.571,8 3.755,9 3.88,10 3.197,11 3.35,12 4.798,13 3.284,14 4.257,15 4.44,16 3.409,17 3.697,18 5.195,19 3.586,20 4.521,21 4.777,22 3.422,23 3.799,24 5.329,25 3.648,26 4.48,27 4.73,28 3.388,29 3.767,30 5.3,31 3.616,32 4.496,33 4.733,34 3.436,35 3.802,36 5.357,37 3.657,38 4.577,39 4.836,40 3.358,41 3.798,42 5.42,43 3.629,44 4.507,45 4.787,46 3.145,47 3.666,48 5.273,49 3.47,50 4.331,51 4.622,52 2.918,53 3.445,54 5.077,55 3.24,56 0.047,57 0.524,58 9.245,59 4.128,60 8.232,61 5.636,62 0.097,63 0.838,64 15.633,65 6.672,66 14.962,67 9.282,68 0.126,69 1.031,70 20.609,71 8.685,72 20.845,73 12.292,74 0.121,75 0.993,76 19.769,77 8.335,78 20.042,79 11.78,80 0.121,81 1.024,82 20.05,83 8.414,84 21.224,85 11.898,86 0.151,87 1.102,88 21.963,89 8.79,90 27.847,91 12.616,92 0.135,93 1.01,94 20.484,95 8.209,96 23.051,97 11.868,98 0.108,99 0.828,100 17.188,101 6.9,102 17.31,103 9.953,104 8,105 25,106 0.227,107 0.542,108 0.734,109 0.852,110 0.876,111 0.876,112 3.057,113 1.026,114 -4.26,115 -4.2,116 -3.96,118 43.9,120 4,124 1,133 1,134 1,140 7,141 2,143 2,168 15,172 2,177 1,180 17,186 2,191 1,194 17,198 2,203 1,206 16,210 3,215 1,218 15,222 3,227 1,229 12,234 2,239 1,242 8,247 1,252 2,255 4,264 3,267 1,270 628,271 14.079,272 14.079,273 14.079,274 14.079,275 14.079,276 12.418,277 3.504,278 9.225,279 14.182,280 10.397,281 10.397,282 10.397,283 10.397,284 10.397,285 8.058,287 4.397,288 10.556,289 4.08,290 2.313,291 1.236,292 0.573,293 0.439,294 0.439,295 3.725,298 1,299 1,300 1,301 368,302 3.162,306 144.816,313 1.23,314 9.636,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 41.5,326 178,327 4.369,328 3.024,329 6.498,330 4.005,331 3.006,332 3.943,334 10.173,335 3.001,336 3.736,337 2.278,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.28,346 2.022,347 4.224,348 2.862,349 1.87,350 2.58,352 4.075,353 1.854,354 2.834,355 1.804,356 3.781,357 2.684,358 1.702,359 1.908,361 3.468,362 1.67,363 2.781,364 1.565,365 3.555,366 2.314,367 1.334,368 1.855,370 2.88,371 1.307,372 2.576,373 1.317,374 3.445,375 2.296,376 1.317,377 1.546,379 2.655,380 1.284,381 2.5,382 1.063,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.954,399 2.101,400 1,401 3.086,402 1.808,403 0.838,404 1.018,406 1.73,407 0.809,408 1.411,409 0.504,410 2.526,411 1.278,412 0.317,413 0.346,415 0.58,416 0.302,417 0.854,418 -0.067,419 2.198,420 0.622,421 -0.333,422 -0.354,424 -0.589,425 -0.316,426 0.719,427 -0.705,428 1.849,429 0.277,430 -0.705,431 -0.952,433 -1.547,434 -0.688,435 0.5,436 -0.813,437 1.555,438 0.082,439 -0.884,440 -1.063,442 -1.748,443 -0.854,444 0.5,445 -1,446 1.555,448 -1,449 -1.5,451 -2.347,452 -0.974,453 0.424,454 -1,455 1.127,456 -0.026,457 -1,458 -1.5,460 -2.347,461 -1,462 9.733,463 0.487,464 0.171,465 0.009,466 24.75,467 1.238,468 13.5,469 0.675,470 11.25,471 0.563,472 14.527,473 0.726,474 21.467,475 0.524,476 15.299,477 0.765,478 4.869,479 0.243,480 5.046,481 0.252,482 0.034,484 0.154,487 0.936,488 1.119,489 0.958,490 1.045,491 0.951,492 1.012,493 0.999,494 1.122,495 1.123,496 1.116,497 0.958,498 1.127,499 0.709,500 0.914,501 0.89,502 0.916,503 0.714,504 0.919,505 0.74,506 0.955,507 0.929,508 0.956,509 0.755,510 0.959,511 0.777,512 1.066,513 0.999,514 1.043,515 0.805,516 1.04,517 0.878,518 1.066,519 1.068,520 1.051,521 0.834,522 1.067,523 0.729,524 1.034,525 1.041,526 1.044,527 0.711,528 1.059,529 0.679,530 1.013,531 0.981,532 1.042,533 0.689,534 1.032,535 1.5,536 0.041,537 1.333,538 0.875,539 0.382,540 0.194,541 0.199,542 0.135,543 0.066,544 0.051,545 3653,546 8550,547 2.053,548 51.2,549 6,550 10,552 2,553 1,555 2,558 1.621,559 2,560 3.116,561 -0.419,563 1,565 1,567 52.362,568 1.277,569 3.044,570 4.122,571 4.784,572 4.919,573 4.919,574 2.485,575 3.004,576 4.285,577 3.27,578 621.276,579 7.344,580 6565.77,581 1,582 1,584 1,585 219.66,586 0.884,587 4.291,588 0.071,589 0.007,590 0.053,591 0.035,592 0.016,593 0.008,594 0.009,595 0.008,596 0.005,597 0.005,598 0.218,599 0.67,600 1,601 1.729,602 89.349,603 -0.051,604 -0.004,605 0.014,606 0.036,607 -0.054,608 0.029,609 -0.124,610 -0.059,611 -0.156,612 -0.084,613 -0.105,614 -0.117,615 -0.006,616 0.059,617 0.065,618 0.081,620 0.078,621 -0.019,622 0.024,623 0.027,624 0.043,625 -0.022,626 0.038,627 -0.033,628 -0.068,629 -0.041,630 -0.041,631 -0.056,632 -0.043,633 -0.071,634 -0.069,635 -0.104,636 -0.08,637 -0.07,638 -0.092,639 -0.038,640 -0.062,641 -0.087,642 -0.083,643 -0.065,644 -0.087,645 0.028,646 -0.066,647 -0.026,648 -0.086,649 -0.006,650 -0.062,651 1.21,652 2.807,653 0.6,654 16.6,655 0.982,656 1.119,657 3.028,658 9.169,659 0.66,660 3.091,661 3.258,662 3.466,663 3.664,664 3.829,665 3.714,666 3.784,667 3.761,668 3.611,669 3.367,670 5.363,671 0.61,672 267.4,673 3.091,674 4.533,675 5.323,676 6.133,677 6.952,678 7.78,679 8.612,680 9.45,681 10.288,682 11.131,683 2.4,693 1,699 9,700 1,704 2,706 12,724 41,726 13,727 1,728 21,730 42,731 18,733 11,734 1,735 5,736 2,739 2,740 2,745 1,751 4,753 13,754 5,756 1,763 1,765 1,769 1,772 21,773 2,774 1,775 2,779 1,784 1,785 1,786 1,795 1,802 2,822 1,823 1,830 1,832 2,840 20,845 1,846 5,862 2.4,863 1,869 10,870 6.983,871 4.806,872 2.608,874 2.051,875 1.341,876 0.929,877 6.004,878 8.057,879 3.367,880 3.829,881 4.363,882 4.885,883 5.384,884 5.379,885 5.759,886 5.969,887 6.07,888 6.12,889 0.833,890 25,891 7.366,893 2.904,894 7.575,895 14.463,897 11.332,899 2.075,900 41.5,901 0.001,904 235.422,905 113.6,906 16.786,908 42.683,911 113.6,912 278.105,913 16.786,915 10.138,916 118.493,917 40.328,918 27.652,920 211.88,922 235.422,923 130.385,924 42.683,927 211.88,928 23.542,929 42.683,931 28.233,932 75.89,933 26.262,935 235.422,936 59.469,937 113.6,940 235.422,941 19.695,942 93.905,944 59.469,945 235.422,946 59.469,947 113.6,949 0.53,950 0.3,951 0.169,952 0.094,953 9,954 3,955 0.167,956 7,958 1,959 3.35,960 134.825,962 12,963 82.439,968 14.486,969 8.289,970 4.61,972 59.469,973 18.193,974 4.215,978 2.378,980 42.683,981 408.491,982 28,989 2.281,991 1.239,994 40.265,995 45.86,996 0.238,997 0.568,998 0.769,999 0.893,1000 0.918,1001 0.918,1002 4.5,1003 1,1004 5.198,1005 2.136,1006 3.932,1007 4.511,1009 5.878,1010 3.908,1011 5.622,1012 0.838,1013 6.655,1014 2.136,1015 2.944,1016 3.689,1018 6.581,1019 2.944,1020 6.854,1021 0.317,1022 8.235,1023 1.73,1024 5.352,1025 6.559,1027 9.751,1028 5.321,1029 8.133,1030 -0.333,1031 9.9,1032 0.58,1033 5.398,1034 6.727,1036 11.489,1037 5.394,1038 9.455,1039 -0.705,1040 11.627,1041 -0.589,1042 7.102,1043 8.91,1045 14.099,1046 7.073,1047 10.811,1048 -0.884,1049 13.397,1050 -1.547,1051 7.689,1052 9.586,1054 16.201,1055 7.679,1056 12.192,1057 -1,1058 15.196,1059 -1.748,1060 9.058,1061 11.414,1063 18.629,1064 9.031,1065 3.006,1066 -1,1067 17.015,1068 -2.347,1069 9.918,1070 12.374,1072 20.864,1073 9.903,1074 2.278,1075 10.173,1076 18.848,1077 -2.347,1078 11.133,1079 14.005,1081 23.226,1082 11.108,1083 1.87,1084 6.4,1085 20.69,1086 3.943,1087 12.123,1088 15.131,1090 25.511,1091 12.105,1092 1.702,1093 4.075,1094 22.54,1095 3.298,1096 13.271,1097 16.651,1099 27.848,1100 13.247,1101 1.334,1102 3.468,1103 24.394,1104 2.58,1105 14.322,1106 17.876,1108 30.154,1109 14.3,1110 1.317,1111 2.88,1112 26.253,1113 1.908,1114 15.442,1115 19.331,1117 32.481,1118 15.416,1119 1,1120 2.655,1121 28.114,1122 1.855,1123 16.519,1124 20.615,1126 34.795,1127 16.495,1128 3726,1129 5754,1130 14.386,1131 27.074,1132 29.509,1133 29.688,1134 30.094,1135 29.326,1136 29.325,1137 38.987,1139 72.465,1140 28.879,1141 5.214,1142 5.024,1143 6.45,1144 5.04,1145 5.006,1146 6.943,1148 16.907,1149 5.001,1150 5.956,1151 1.405,1152 1.414,1153 1.433,1154 1.396,1155 1.396,1156 1.857,1158 3.451,1159 1.375,1160 3.996,1161 4.025,1162 3.938,1163 3.942,1164 6.456,1165 3.937,1166 3.788,1167 3.828,1168 3.716,1169 3.705,1170 4.924,1171 3.702,1172 3.717,1173 3.778,1174 3.559,1175 3.588,1176 4.74,1177 3.572,1178 3.444,1179 3.502,1180 3.299,1181 3.304,1182 4.253,1183 3.294,1184 3.133,1185 3.191,1186 2.977,1187 2.975,1188 3.953,1189 2.964,1190 2.854,1191 2.925,1192 2.687,1193 2.735,1194 3.796,1195 2.715,1196 2.812,1197 2.891,1198 2.631,1199 2.631,1200 3.674,1201 2.618,1202 2.765,1203 2.847,1204 2.585,1205 2.592,1206 3.56,1207 2.577,1208 0.208,1209 0.144,1210 0.309,1211 0.191,1212 0.143,1213 4.369,1214 0.188,1215 3.024,1217 6.498,1218 0.484,1219 4.005,1220 0.143,1221 3.006,1222 3.943,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.084,1229 2.05,1230 1.347,1231 2.062,1232 1.785,1233 1.748,1234 1.975,1235 1.898,1236 1.162,1237 1.927,1238 1.726,1239 1.668,1240 1.906,1241 1.89,1242 0.962,1243 1.9,1244 1.442,1245 1.386,1246 1.701,1247 1.637,1248 0.901,1249 1.66,1250 1.128,1251 1.07,1252 1.393,1253 1.33,1254 0.548,1255 1.352,1256 0.886,1257 0.821,1258 1.181,1259 1.069,1260 0.32,1261 1.107,1262 0.813,1263 0.735,1264 1.164,1265 1.062,1266 0.218,1267 1.103,1268 0.763,1269 0.696,1270 1.05,1271 0.985,1272 0.111,1273 1.009,1274 3.761,1276 4.963,1278 6.378,1280 7.896,1282 9.471,1289 8.807,1290 4.387,1300 25.004,1301 52.362,1302 124.815,1303 168.989,1304 196.15,1305 201.66,1306 201.66,1307 28.453,1308 6.006,1309 33.12,1310 33.12,1311 12,1312 11.696,1313 3.807,1314 3,1315 36.242,1316 58,1317 84,1318 0.285,1319 158.945,1320 274.75,1321 379.585,1322 2438,1324 14.046,1325 0.702,1326 0.585,1327 14.046,1328 11.703,1329 9.915,1330 0.472,1331 0.342,1332 7.145,1333 9.751,1334 6.984,1335 5.867,1336 9.915,1337 7.184,1338 7.663,1339 0.307,1340 0.192,1341 7.663,1342 4.798,1343 6.152,1344 0.198,1345 0.105,1346 6.152,1347 3.268,1348 4.965,1349 0.131,1350 0.058,1351 4.965,1352 2.221,1353 3.945,1354 0.088,1355 0.033,1356 3.945,1357 1.468,1358 0.44,1359 60.697,1360 0.264,1361 20.158,1362 0.797,1363 92,1364 219.795,1365 94.827,1366 220.096,1367 300.75,1368 208,1369 102,1370 211.628,1371 104.495,1372 219.983,1373 314.08,1374 208,1375 5.658} {0 CHEMBL97978,1 1.339,2 10.652,3 4.546,4 20.666,5 92.909,6 6.727,7 0.5,8 3.87,9 3.99,10 3.331,11 3.457,12 4.953,13 3.399,14 4.379,15 4.557,16 3.573,17 3.808,18 5.464,19 3.704,20 4.667,21 4.916,22 3.55,23 3.916,24 5.537,25 3.771,26 4.637,27 4.887,28 3.517,29 3.89,30 5.493,31 3.741,32 4.651,33 4.889,34 3.56,35 3.921,36 5.54,37 3.777,38 4.721,39 4.978,40 3.491,41 3.918,42 5.584,43 3.752,44 4.663,45 4.937,46 3.308,47 3.797,48 5.492,49 3.611,50 4.495,51 4.776,52 3.101,53 3.6,54 5.337,55 3.411,56 0.042,57 0.586,58 10.057,59 4.639,60 8.524,61 6.181,62 0.182,63 0.942,64 17.394,65 7.564,66 35.738,67 10.432,68 0.188,69 1.172,70 24.169,71 9.873,72 35.766,73 13.794,74 0.17,75 1.142,76 23.381,77 9.623,78 31.934,79 13.487,80 0.166,81 1.174,82 23.579,83 9.705,84 32.996,85 13.592,86 0.2,87 1.25,88 25.609,89 10.071,90 38.605,91 14.33,92 0.202,93 1.154,94 24.41,95 9.445,96 38.582,97 13.506,98 0.182,99 0.955,100 20.727,101 7.972,102 36.616,103 11.354,104 13,105 29,106 0.232,107 0.542,108 0.703,109 0.822,110 0.865,111 0.88,112 3.187,113 1.019,114 -4.62,115 -4.54,116 -4.27,118 43.5,120 6,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 19,181 1,186 3,191 1,194 19,195 1,198 3,203 1,206 18,207 1,210 4,215 1,218 17,219 1,222 4,227 1,229 14,230 1,234 3,239 1,242 11,243 1,247 2,252 1,255 9,256 1,259 2,264 1,267 7,268 2,270 916,271 15.778,272 15.778,273 15.778,274 15.778,275 15.778,276 13.91,277 5.568,278 10.19,279 15.848,280 11.915,281 11.915,282 11.915,283 11.915,284 11.915,285 9.255,286 1.893,287 4.921,288 12.014,289 4.184,290 2.389,291 1.46,292 0.772,293 0.522,294 0.435,295 3.857,299 1,300 1,301 505,302 3.742,306 175.781,313 1.554,314 16.038,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 48.5,326 245,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.241,349 2.236,350 2.71,352 5.184,353 2.223,354 3.28,355 2.007,356 4.224,357 2.849,358 1.854,359 2.58,361 4.075,362 1.843,363 2.83,364 1.732,365 3.789,366 2.674,367 1.685,368 1.908,370 3.497,371 1.664,372 2.781,373 1.52,374 3.555,375 2.315,376 1.317,377 1.85,379 2.88,380 1.313,381 2.578,382 1.317,383 3.465,384 2.297,385 1.313,386 1.542,388 2.743,389 1.288,390 2.5,391 1.076,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.957,403 1,404 1.5,406 2.136,407 0.954,408 2.138,409 1,410 3.151,411 1.846,412 0.848,413 1.038,415 1.91,416 0.844,417 1.517,418 0.645,419 2.674,420 1.37,421 0.37,422 0.413,424 0.815,425 0.368,426 0.964,427 0.389,428 2.198,429 0.789,430 -0.212,431 -0.227,433 -0.459,434 -0.211,435 0.719,436 0.021,437 2.158,438 0.28,439 -0.705,440 -0.864,442 -1.547,443 -0.687,444 0.621,445 -0.573,446 1.62,447 0.24,448 -0.76,449 -0.952,451 -1.67,452 -0.748,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.295,460 -2,461 -0.964,462 11.067,463 0.481,464 0.315,465 0.014,466 28,467 1.217,468 15,469 0.652,470 13,471 0.565,472 17.954,473 0.781,474 24.933,475 0.542,476 18.286,477 0.795,478 5.429,479 0.236,480 5.842,481 0.254,482 0.06,484 0.181,487 0.75,488 1.132,489 0.913,490 1.064,491 0.698,492 1.017,493 0.457,494 1.172,495 1.023,496 1.173,497 0.402,498 1.159,499 0.805,500 0.927,501 0.944,502 0.935,503 0.83,504 0.955,505 0.726,506 0.954,507 0.94,508 0.961,509 0.732,510 0.974,511 0.746,512 1.051,513 0.998,514 1.036,515 0.753,516 1.045,517 0.792,518 1.052,519 1.055,520 1.044,521 0.761,522 1.07,523 0.81,524 1.006,525 1.047,526 1.019,527 0.794,528 1.05,529 0.875,530 0.941,531 1.02,532 0.972,533 0.847,534 1.004,535 2.5,536 0.107,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.066,544 0.051,545 5804,546 15636,547 2.021,548 50,549 10,550 8,552 2,553 1,554 2,558 1.656,559 1.944,560 3.345,561 -0.412,567 61.603,568 1.339,569 3.135,570 4.064,571 4.752,572 5.002,573 5.089,574 2.699,575 3.567,576 4.488,577 3.571,578 903.52,579 7.725,580 11000.6,582 1,585 254.084,586 1.068,587 4.48,588 0.104,589 0.008,590 0.054,591 0.036,592 0.017,593 0.009,594 0.01,595 0.008,596 0.004,597 0.004,598 0.253,599 0.5,600 1,601 2.076,602 110.277,603 -0.042,604 -0.004,605 0.01,606 0.033,607 -0.028,608 0.026,609 0.191,610 -0.1,611 -0.096,612 -0.126,613 0.217,614 -0.138,615 -0.049,616 0.047,617 0.009,618 0.064,619 -0.054,620 0.045,621 -0.032,622 0.023,623 0.007,624 0.039,625 -0.039,626 0.028,627 -0.044,628 -0.056,629 -0.052,630 -0.033,631 -0.061,632 -0.044,633 -0.064,634 -0.059,635 -0.101,636 -0.068,637 -0.079,638 -0.085,639 -0.059,640 -0.038,641 -0.087,642 -0.056,643 -0.082,644 -0.071,645 -0.059,646 0.007,647 -0.052,648 -0.013,649 -0.047,650 -0.028,651 2.368,652 3.476,653 0.522,654 22.514,655 0.989,656 1.119,657 3.387,658 11.469,659 0.658,660 3.219,661 3.401,662 3.555,663 3.738,664 3.892,665 3.784,666 3.85,667 3.829,668 3.714,669 3.611,670 6.525,671 0.614,672 309.44,673 3.219,674 4.673,675 5.451,676 6.26,677 7.064,678 7.886,679 8.705,680 9.536,681 10.363,682 11.199,683 2.2,693 1,699 9,700 1,704 2,706 12,724 46,726 14,727 1,728 24,730 47,731 20,733 11,734 1,735 5,736 2,739 2,740 2,751 6,753 14,754 6,756 2,761 1,763 1,765 2,769 1,772 23,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 23,845 1,846 6,862 4.3,864 1,865 1,869 11.833,870 7.9,871 5.389,872 2.975,874 2.037,875 1.328,876 0.926,877 7.221,878 8.255,879 3.497,880 3.951,881 4.413,882 4.914,883 5.402,884 5.398,885 5.772,886 5.982,887 6.093,888 6.171,889 0.857,890 28,891 8.479,893 3.384,894 7.746,895 16.432,897 12.907,899 2.246,900 51.667,903 1,904 258.964,905 119.579,906 16.786,908 67.828,911 119.579,912 326.793,913 16.786,915 15.207,916 75.81,917 109.066,918 27.652,920 235.422,922 258.964,923 136.364,924 67.828,927 258.964,928 67.828,931 33.302,932 76.8,933 26.262,935 258.964,936 84.614,937 119.579,940 258.964,941 25.674,942 93.905,944 84.614,945 258.964,946 84.614,947 119.579,949 0.541,950 0.289,951 0.158,952 0.087,953 10,954 4,955 0.191,956 9,958 1,959 3.671,960 159.992,962 12,963 100.042,968 17.113,969 9.706,970 6.175,972 84.614,973 18.068,974 4.22,978 2.33,980 42.683,981 463.157,982 32,987 10.476,989 2.267,991 0.511,994 45.476,995 51.484,996 0.242,997 0.568,998 0.736,999 0.86,1000 0.906,1001 0.921,1002 4.644,1003 1,1004 5.342,1005 2.743,1006 4.078,1007 4.635,1008 2.258,1009 6.004,1010 4.063,1011 5.776,1012 1,1013 6.795,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.012,1021 0.848,1022 8.362,1023 2.136,1024 5.493,1025 6.651,1026 3.628,1027 9.809,1028 5.471,1029 8.287,1030 0.37,1031 10.01,1032 1.91,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.602,1039 -0.212,1040 11.717,1041 0.815,1042 7.216,1043 8.968,1044 5.201,1045 14.117,1046 7.191,1047 10.945,1048 -0.705,1049 13.468,1050 -0.459,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.313,1057 -0.76,1058 15.251,1059 -1.547,1060 9.136,1061 11.447,1062 6.849,1063 18.634,1064 9.11,1065 3.006,1066 -1,1067 17.057,1068 -1.67,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.879,1077 -2,1078 11.181,1079 14.023,1080 8.526,1081 23.227,1082 11.156,1083 2.236,1084 6.4,1085 20.714,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.854,1093 5.184,1094 22.557,1095 3.298,1096 13.3,1097 16.66,1098 10.216,1099 27.849,1100 13.275,1101 1.685,1102 4.075,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.317,1111 3.497,1112 26.262,1113 2.58,1114 15.458,1115 19.335,1116 11.912,1117 32.481,1118 15.432,1119 1.313,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 5880,1129 9722,1130 16.178,1131 30.29,1132 34.221,1133 34.547,1134 34.342,1135 33.827,1136 33.815,1137 44.566,1138 4.682,1139 83.899,1140 33.514,1141 5.277,1142 5.596,1143 6.36,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 9.248,1151 1.426,1152 1.439,1153 1.431,1154 1.409,1155 1.409,1156 1.857,1157 0.195,1158 3.496,1159 1.396,1160 3.997,1161 4.027,1162 3.939,1163 3.943,1164 7.474,1165 3.938,1166 3.789,1167 3.829,1168 3.716,1169 3.706,1170 6.351,1171 3.703,1172 3.766,1173 3.82,1174 3.627,1175 3.637,1176 4.924,1177 3.624,1178 3.57,1179 3.616,1180 3.447,1181 3.42,1182 4.74,1183 3.415,1184 3.319,1185 3.359,1186 3.202,1187 3.158,1188 4.262,1189 3.16,1190 3.055,1191 3.105,1192 2.902,1193 2.866,1194 4.051,1195 2.868,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.807,1201 2.715,1202 2.784,1203 2.862,1204 2.629,1205 2.627,1206 3.709,1207 2.615,1208 0.182,1209 0.15,1210 0.271,1211 0.167,1212 0.125,1213 4.369,1214 0.164,1215 3.596,1216 0.098,1217 6.498,1218 0.424,1219 4.005,1220 0.125,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.087,1229 2.051,1230 1.383,1231 2.063,1232 1.788,1233 1.75,1234 2.005,1235 1.93,1236 1.196,1237 1.958,1238 1.764,1239 1.711,1240 1.91,1241 1.893,1242 1.056,1243 1.902,1244 1.554,1245 1.504,1246 1.795,1247 1.742,1248 0.932,1249 1.758,1250 1.287,1251 1.243,1252 1.525,1253 1.494,1254 0.721,1255 1.5,1256 1.021,1257 0.971,1258 1.284,1259 1.251,1260 0.441,1261 1.26,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.238,1267 1.107,1268 0.777,1269 0.71,1270 1.094,1271 1.037,1272 0.218,1273 1.061,1274 3.892,1276 5.106,1278 6.512,1280 8.011,1282 9.564,1289 8.626,1290 5.17,1300 28.246,1301 61.603,1302 144.194,1303 186.923,1304 218.574,1305 230.084,1306 234.084,1307 42.521,1308 6.219,1309 50.19,1310 50.19,1311 12,1312 11.77,1313 3.907,1314 3.17,1315 45.392,1316 84,1317 101,1318 0.246,1319 179.198,1320 315.5,1321 429.003,1322 3384,1324 16.33,1325 0.71,1326 0.579,1327 16.33,1328 13.319,1329 11.271,1330 0.47,1331 0.34,1332 8.103,1333 11.047,1334 7.928,1335 6.652,1336 11.271,1337 8.149,1338 9.199,1339 0.317,1340 0.192,1341 9.199,1342 5.572,1343 6.83,1344 0.201,1345 0.11,1346 6.83,1347 3.751,1348 5.444,1349 0.133,1350 0.063,1351 5.444,1352 2.563,1353 4.284,1354 0.089,1355 0.036,1356 4.284,1357 1.709,1358 0.394,1359 69.28,1360 0.249,1361 23.183,1362 0.652,1363 106,1364 287.53,1365 111.816,1366 283.737,1367 377.15,1368 264,1369 116,1370 262.779,1371 120.157,1372 269.537,1373 381.88,1374 254,1375 7.387} {0 CHEMBL98085,1 1.417,2 10.654,3 5.298,4 28.07,5 109.944,6 6.973,7 0.444,8 4.005,9 4.122,10 3.545,11 3.625,12 5.061,13 3.537,14 4.527,15 4.704,16 3.838,17 4.005,18 5.559,19 3.864,20 4.801,21 5.024,22 3.955,23 4.138,24 5.701,25 3.965,26 4.859,27 5.107,28 3.785,29 4.118,30 5.7,31 3.935,32 4.808,33 5.015,34 3.829,35 4.116,36 5.78,37 3.979,38 4.961,39 5.206,40 3.797,41 4.146,42 5.931,43 3.982,44 4.96,45 5.235,46 3.601,47 4.041,48 5.856,49 3.84,50 4.729,51 5.025,52 3.624,53 3.898,54 5.496,55 3.684,56 0.049,57 0.683,58 12.356,59 5.662,60 10.723,61 7.335,62 0.211,63 1.131,64 24.211,65 9.939,66 40.825,67 12.641,68 0.234,69 1.422,70 34.091,71 12.947,72 33.371,73 16.368,74 0.24,75 1.478,76 37.516,77 13.917,78 37.217,79 17.375,80 0.24,81 1.388,82 29.698,83 11.808,84 45.739,85 15.512,86 0.272,87 1.583,88 34.279,89 13.248,90 57.149,91 17.921,92 0.389,93 1.519,94 35.523,95 13.009,96 72.174,97 17.405,98 0.173,99 1.257,100 29.272,101 11.382,102 29.626,103 15.198,104 28,105 34,106 0.238,107 0.566,108 0.77,109 0.838,110 0.856,111 0.856,112 3.303,113 1.125,114 -5.06,115 -4.96,116 -4.64,118 41.5,119 2,120 3,121 1,124 1,126 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 16,172 2,175 1,180 19,181 2,186 4,191 2,194 19,195 1,198 3,203 1,206 17,207 2,210 5,215 2,218 18,219 3,222 6,227 3,229 14,230 1,234 3,239 1,242 10,243 2,247 2,252 2,255 7,256 3,259 4,260 1,264 3,267 7,268 3,270 1096,271 17.433,272 17.433,273 17.433,274 17.433,275 17.433,276 15.589,277 6.416,278 10.898,279 17.676,280 13.349,281 13.349,282 13.349,283 13.349,284 13.349,285 10.724,286 2.352,287 5.187,288 13.752,289 4.311,290 2.356,291 1.145,292 0.736,293 0.632,294 0.632,295 3.97,299 1,300 1,301 566,302 4.359,306 205.926,313 1.426,314 19.676,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 54.5,326 277,327 4.369,328 4.539,329 6.498,330 4.005,331 3.006,332 3.943,333 3.412,334 10.173,335 3.001,336 3.885,337 3.523,338 5.913,339 3.668,340 2.729,341 3.298,342 2.114,343 8.144,344 2.544,345 3.736,346 3.024,347 5.247,348 3.27,349 2.278,350 3.033,352 6.4,353 2.259,354 3.278,355 2.648,356 4.645,357 3.154,358 2.175,359 2.58,361 5.12,362 2.122,363 3.2,364 2.278,365 4.223,366 2.792,367 1.802,368 2.203,370 4.056,371 1.782,372 2.781,373 1.964,374 3.867,375 2.556,376 1.563,377 1.908,379 3.335,380 1.546,381 2.78,382 1.734,383 3.555,384 2.301,385 1.317,386 1.791,388 2.88,389 1.294,390 2.568,391 1.587,392 3.551,393 2.174,394 1.231,395 1.5,397 2.761,398 1.135,399 2.5,400 1.317,401 3.266,402 2,403 1,404 1.5,406 2.136,407 1,408 2.5,409 1.004,410 3.247,411 1.956,412 1,413 1.498,415 2.136,416 0.954,417 2.136,418 1,419 3.247,420 1.783,421 0.85,422 1.034,424 1.99,425 0.775,426 1.497,427 1,428 2.851,429 1.324,430 0.401,431 0.437,433 0.924,434 0.362,435 1.049,436 0.577,437 2.354,438 0.866,439 -0.087,440 -0.093,442 -0.197,443 -0.081,444 0.719,445 0.4,446 2.198,447 0.28,448 -0.705,449 -0.841,451 -1.547,452 -0.683,453 0.637,454 -0.166,455 1.908,456 0.232,457 -0.734,458 -0.952,460 -1.697,461 -0.702,462 12.9,463 0.496,464 0.511,465 0.02,466 29.5,467 1.135,468 15,469 0.577,470 14.5,471 0.558,472 25.668,473 0.987,474 28.5,475 0.538,476 19.328,477 0.743,478 5.139,479 0.198,480 7.437,481 0.286,482 0.129,484 0.233,487 0.753,488 1.099,489 0.86,490 0.987,491 0.731,492 1.013,493 0.495,494 1.118,495 1.161,496 1.173,497 0.417,498 1.096,499 0.734,500 1.087,501 1.101,502 1.166,503 0.799,504 1.059,505 0.868,506 0.998,507 1.318,508 1.176,509 0.84,510 0.966,511 1.277,512 1.094,513 1.031,514 1.036,515 1.342,516 1.096,517 1.126,518 1.075,519 0.909,520 0.985,521 1.08,522 1.074,523 1.502,524 0.849,525 0.906,526 0.787,527 1.558,528 0.946,529 0.516,530 0.797,531 0.701,532 0.775,533 0.5,534 0.795,535 4,536 0.182,537 2.444,538 1.375,539 0.782,540 0.528,541 0.24,542 0.292,543 0.263,544 0.169,545 7655,546 19325,547 1.974,548 50.9,549 10,550 11,552 2,553 1,555 3,558 1.693,559 1.857,560 3.375,561 -0.408,567 75.09,568 1.417,569 3.372,570 4.583,571 4.992,572 5.096,573 5.096,574 2.652,575 3.456,576 4.674,577 3.578,578 1162.97,579 8.107,580 15403.8,585 303.58,586 1.335,587 4.634,588 0.148,589 0.008,590 0.072,591 0.04,592 0.024,593 0.015,594 0.008,595 0.012,596 0.011,597 0.006,598 0.344,599 0.33,600 1,601 2.146,602 129.111,603 -0.035,604 0.013,605 0.047,606 0.061,607 -0.046,608 0.032,609 0.18,610 -0.029,611 -0.052,612 -0.049,613 0.209,614 -0.055,615 0.046,616 -0.062,617 0.034,618 -0.06,619 -0.019,620 -0.035,621 -0.031,622 0.011,623 -0.095,624 -0.04,625 -0.027,626 0.054,627 -0.14,628 -0.099,629 -0.147,630 -0.093,631 -0.165,632 -0.119,633 -0.073,634 -0.112,635 -0.084,636 -0.104,637 -0.02,638 -0.118,639 -0.195,640 0.075,641 -0.05,642 0.078,643 -0.212,644 -0.012,645 0.102,646 0.146,647 0.253,648 0.188,649 0.077,650 0.193,651 2.366,652 4.439,653 0.462,654 23.858,655 0.987,656 1.118,657 3.828,658 14.657,659 0.669,660 3.332,661 3.555,662 3.714,663 3.871,664 4.025,665 3.932,666 3.932,667 3.989,668 3.97,669 3.892,670 6.688,671 0.613,672 369.57,673 3.332,674 4.812,675 5.602,676 6.425,677 7.239,678 8.069,679 8.893,680 9.727,681 10.556,682 11.393,683 1.9,693 1,699 9,700 1,704 2,706 12,724 53,726 14,727 1,728 27,730 54,731 22,733 11,734 1,735 5,736 2,739 2,740 2,745 2,751 4,753 14,754 8,755 1,756 2,761 1,763 1,765 2,772 27,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,833 1,834 1,836 2,840 26,845 1,846 4,849 1,850 2,862 3.8,864 1,865 1,869 14,870 9.733,871 6,872 3.322,874 1.976,875 1.308,876 0.909,877 8.6,878 8.385,879 3.584,880 4.043,881 4.494,882 4.965,883 5.438,884 5.442,885 5.799,886 6.038,887 6.204,888 6.32,889 0.857,890 34,891 9.632,893 3.881,894 7.699,895 18.684,897 14.827,899 2.199,900 57.167,904 306.049,905 162.745,906 16.786,908 67.828,910 32.22,911 130.525,912 373.877,913 16.786,914 17.65,915 8.503,916 75.81,917 109.066,918 27.652,920 314.726,922 306.049,923 147.311,924 67.828,925 32.22,927 270.735,928 103.142,931 44.249,932 76.8,933 26.262,934 32.22,935 306.049,936 84.614,937 162.745,940 306.049,941 51.189,942 111.555,944 84.614,945 306.049,946 84.614,947 162.745,949 0.556,950 0.303,951 0.158,952 0.089,953 12,954 6,955 0.185,956 10,958 1,959 3.816,960 194.211,962 12,963 116.211,964 1,968 20.416,969 10.952,970 7.102,972 84.614,973 17.903,974 4.23,978 2.243,980 42.683,981 553.407,982 35,987 11.439,989 2.207,991 0.454,994 52.32,995 59.235,996 0.247,997 0.589,998 0.8,999 0.871,1000 0.89,1001 0.89,1002 4.762,1003 1.231,1004 5.533,1005 2.88,1006 4.234,1007 4.727,1008 3.433,1009 6.236,1010 4.179,1011 5.907,1012 1,1013 7.026,1014 2.761,1015 3.611,1016 4.159,1017 2.243,1018 7.008,1019 3.554,1020 7.154,1021 1,1022 8.628,1023 2.136,1024 5.707,1025 6.728,1026 5.652,1027 10.074,1028 5.609,1029 8.436,1030 0.85,1031 10.301,1032 2.136,1033 5.943,1034 6.998,1035 4.491,1036 11.77,1037 5.838,1038 9.755,1039 0.401,1040 12.022,1041 1.99,1042 7.477,1043 9.032,1044 8.019,1045 14.333,1046 7.345,1047 11.1,1048 -0.087,1049 13.778,1050 0.924,1051 8.132,1052 9.741,1053 6.946,1054 16.39,1055 7.995,1056 12.466,1057 -0.705,1058 15.557,1059 -0.197,1060 9.415,1061 11.498,1062 10.428,1063 18.786,1064 9.262,1065 3.006,1066 -0.734,1067 17.355,1068 -1.547,1069 10.284,1070 12.464,1071 9.511,1072 20.989,1073 10.13,1074 2.729,1075 10.173,1076 19.165,1077 -1.697,1078 11.451,1079 14.061,1080 12.853,1081 23.329,1082 11.289,1083 2.278,1084 8.144,1085 20.985,1086 3.943,1087 12.429,1088 15.185,1089 12.101,1090 25.594,1091 12.268,1092 2.175,1093 6.4,1094 22.813,1095 3.298,1096 13.546,1097 16.687,1098 15.283,1099 27.916,1100 13.382,1101 1.802,1102 5.12,1103 24.647,1104 3.033,1105 14.578,1106 17.907,1107 14.686,1108 30.208,1109 14.418,1110 1.563,1111 4.056,1112 26.485,1113 2.58,1114 15.674,1115 19.353,1116 17.715,1117 32.525,1118 15.515,1119 1.317,1120 3.335,1121 28.328,1122 2.203,1123 16.733,1124 20.633,1125 17.255,1126 34.83,1127 16.579,1128 7781,1129 12456,1130 17.682,1131 35.461,1132 39.35,1133 42.28,1134 39.775,1135 38.677,1136 38.704,1137 49.448,1138 11.052,1139 100.108,1140 37.548,1141 5.283,1142 6.539,1143 6.3,1144 5.083,1145 5.006,1146 6.943,1147 6.739,1148 16.907,1149 5.001,1150 13.55,1151 1.457,1152 1.566,1153 1.473,1154 1.432,1155 1.433,1156 1.831,1157 0.409,1158 3.708,1159 1.391,1160 3.998,1161 4.027,1162 3.976,1163 3.944,1164 7.474,1165 3.939,1166 3.789,1167 3.828,1168 3.914,1169 3.717,1170 6.351,1171 3.703,1172 3.77,1173 3.809,1174 3.716,1175 3.695,1176 4.924,1177 3.653,1178 3.64,1179 3.706,1180 3.49,1181 3.518,1182 4.74,1183 3.497,1184 3.453,1185 3.481,1186 3.363,1187 3.319,1188 4.265,1189 3.308,1190 3.15,1191 3.185,1192 3.065,1193 3.002,1194 4.221,1195 2.989,1196 2.907,1197 3.009,1198 3.032,1199 2.735,1200 3.921,1201 2.715,1202 2.874,1203 2.967,1204 2.687,1205 2.729,1206 3.794,1207 2.674,1208 0.162,1209 0.168,1210 0.241,1211 0.148,1212 0.111,1213 4.369,1214 0.146,1215 4.539,1216 0.126,1217 6.498,1218 0.377,1219 4.005,1220 0.111,1221 3.006,1222 3.943,1223 3.412,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.081,1229 2.049,1230 1.34,1231 2.061,1232 1.785,1233 1.75,1234 1.961,1235 1.895,1236 1.231,1237 1.93,1238 1.752,1239 1.713,1240 1.93,1241 1.887,1242 1.138,1243 1.903,1244 1.662,1245 1.6,1246 1.894,1247 1.829,1248 0.942,1249 1.861,1250 1.411,1251 1.378,1252 1.585,1253 1.596,1254 0.828,1255 1.596,1256 1.109,1257 1.07,1258 1.417,1259 1.319,1260 0.528,1261 1.316,1262 0.934,1263 0.821,1264 1.309,1265 1.239,1266 0.469,1267 1.308,1268 0.886,1269 0.804,1270 1.228,1271 1.132,1272 0.405,1273 1.193,1274 4.007,1276 5.252,1278 6.683,1280 8.199,1282 9.762,1284 4.239,1289 9.406,1290 3.292,1293 1.559,1294 0.196,1300 32.487,1301 75.09,1302 178.709,1303 242.909,1304 264.56,1305 270.07,1306 270.07,1307 60.818,1308 6.409,1309 50.19,1310 75.49,1311 12,1312 11.963,1313 3.907,1314 3.17,1315 54.894,1316 104,1317 98,1318 0.252,1319 209.514,1320 368.61,1321 502.973,1322 4216,1324 18.778,1325 0.722,1326 0.626,1327 19.131,1328 16.284,1329 12.575,1330 0.466,1331 0.375,1332 9.126,1333 11.899,1334 8.707,1335 7.347,1336 13.03,1337 10.129,1338 10.72,1339 0.315,1340 0.234,1341 11.271,1342 7.946,1343 7.931,1344 0.198,1345 0.142,1346 8.826,1347 5.681,1348 6.126,1349 0.13,1350 0.08,1351 6.711,1352 3.772,1353 4.852,1354 0.088,1355 0.049,1356 5.306,1357 2.706,1358 0.401,1359 81.648,1360 0.238,1361 25.431,1362 0.677,1363 122,1364 318.391,1365 150.098,1366 334.573,1367 443.67,1368 312,1369 135,1370 294.494,1371 160.974,1372 313.697,1373 449.79,1374 294,1375 6.959} {0 CHEMBL98141,1 1.477,2 9,3 2.483,4 6.165,5 81.55,6 7.24,7 0.545,8 3.727,9 3.841,10 3.253,11 3.298,12 4.891,13 3.263,14 4.207,15 4.376,16 3.501,17 3.636,18 5.39,19 3.561,20 4.461,21 4.689,22 3.473,23 3.739,24 5.431,25 3.625,26 4.435,27 4.666,28 3.438,29 3.711,30 5.387,31 3.593,32 4.453,33 4.671,34 3.49,35 3.74,36 5.447,37 3.628,38 4.533,39 4.78,40 3.415,41 3.719,42 5.523,43 3.588,44 4.429,45 4.692,46 3.201,47 3.582,48 5.322,49 3.424,50 4.263,51 4.542,52 3.037,53 3.358,54 5.172,55 3.208,56 0.023,57 0.525,58 7.879,59 3.654,60 8.887,61 4.735,62 0.163,63 0.819,64 13.794,65 5.792,66 36.789,67 7.88,68 0.174,69 0.976,70 19.366,71 7.651,72 38.353,73 10.523,74 0.156,75 0.954,76 18.83,77 7.479,78 34.114,79 10.358,80 0.144,81 0.992,82 18.868,83 7.45,84 34.43,85 10.311,86 0.237,87 1.067,88 21.253,89 7.602,90 43.785,91 10.789,92 0.162,93 0.94,94 19.295,95 7.079,96 32.795,97 10.22,98 0.131,99 0.771,100 16.675,101 5.949,102 25.082,103 8.64,104 11,105 27,106 0.264,107 0.595,108 0.735,109 0.799,110 0.818,111 0.818,112 3.102,113 0.954,114 -3.11,115 -3.11,116 -2.99,118 43.6,120 4,133 1,134 1,140 4,141 2,143 4,154 1,163 1,167 1,168 11,169 1,172 5,175 1,177 1,180 11,181 1,186 5,191 1,194 11,195 1,198 5,203 1,206 11,207 1,210 5,215 1,218 9,219 1,221 1,222 5,227 1,229 7,230 1,234 3,239 1,242 4,243 2,247 4,252 2,255 2,256 2,259 2,260 2,264 2,268 2,270 711,271 14.364,272 14.364,273 14.364,274 14.364,275 14.364,276 12.496,277 5.568,278 9.19,279 14.499,280 10.915,281 10.915,282 10.915,283 10.915,284 10.915,285 8.255,286 1.893,287 4.421,288 11.108,289 3.809,290 1.962,291 1.179,292 0.821,293 0.718,294 0.718,295 3.768,298 1,299 1,300 1,301 389,302 3.464,306 154.918,313 1.238,314 17.283,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 45,326 189,327 4.369,328 3.596,329 6.498,330 4.003,331 3.006,332 3.943,333 2.341,334 10.173,335 2.996,336 3.736,337 3.024,338 5.247,339 3.261,340 2.278,341 3.298,343 6.4,344 2.238,345 3.55,346 2.278,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.222,354 3.278,355 1.986,356 4.22,357 2.781,358 1.802,359 2.579,361 4.049,362 1.764,363 2.781,364 1.646,365 3.654,366 2.539,367 1.555,368 1.908,370 3.193,371 1.525,372 2.748,373 1.317,374 3.555,375 2.285,376 1.317,377 1.768,379 2.88,380 1.272,381 2.5,382 1.305,383 3.319,384 1.996,385 1,386 1.5,388 2.252,389 0.992,390 2.5,391 1,392 3.247,393 1.956,394 1,395 1.5,397 2.136,398 0.953,399 2.389,400 1,401 3.247,402 1.955,403 1,404 1.288,406 2.136,407 0.952,408 1.652,409 0.726,410 2.804,411 1.441,412 0.445,413 0.52,415 1.01,416 0.441,417 0.959,418 0.423,419 2.198,420 0.736,421 -0.263,422 -0.286,424 -0.58,425 -0.259,426 0.719,427 0.026,428 2.191,429 0.257,430 -0.705,431 -0.952,433 -1.547,434 -0.674,435 0.578,436 -0.703,437 1.555,438 0.122,439 -0.878,440 -1.062,442 -1.954,443 -0.842,444 0.5,445 -0.705,446 1.555,447 -0.018,448 -1,449 -1.386,451 -2,452 -0.971,453 0.5,454 -1,455 1.54,456 -0.026,457 -1,458 -1.5,460 -2.347,461 -0.974,462 9.967,463 0.475,464 0.315,465 0.015,466 27.5,467 1.31,468 15,469 0.714,470 12.5,471 0.595,472 14.399,473 0.686,474 22.433,475 0.575,476 18.004,477 0.857,478 5.51,479 0.262,480 4.761,481 0.227,482 0.067,484 0.201,487 0.761,488 1.204,489 0.832,490 1.056,491 0.701,492 0.974,493 0.54,494 1.127,495 0.968,496 1.107,497 0.439,498 1.093,499 0.855,500 0.951,501 0.963,502 0.955,503 0.897,504 0.977,505 0.773,506 0.974,507 0.948,508 0.977,509 0.788,510 0.99,511 0.808,512 1.127,513 1.018,514 1.082,515 0.813,516 1.084,517 0.894,518 0.985,519 1.096,520 1.005,521 0.798,522 1.06,523 0.707,524 1.05,525 1.047,526 1.067,527 0.642,528 1.093,529 0.698,530 0.944,531 0.911,532 0.989,533 0.649,534 0.971,535 2.5,536 0.074,537 1.556,538 1,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 4230,546 12882,547 2.023,548 46.2,549 6,550 5,552 4,553 1,554 2,558 1.634,559 1.938,560 3.146,561 -0.338,562 1,563 1,565 1,567 57.585,568 1.477,569 3.323,570 4.106,571 4.465,572 4.567,573 4.567,574 2.489,575 3.345,576 4.358,577 3.337,578 700.757,579 7.482,580 7766.59,581 1,582 1,584 1,585 206.131,586 1.125,587 4.345,588 0.114,589 0.007,590 0.058,591 0.038,592 0.018,593 0.01,594 0.009,595 0.008,596 0.011,597 0.009,598 0.282,599 0.5,600 1,601 1.787,602 95.963,603 -0.053,604 -0.081,605 0.012,606 0.005,607 -0.041,608 0.013,609 0.152,610 -0.048,611 -0.084,612 -0.088,613 0.2,614 -0.111,615 -0.076,616 0.015,617 -0.02,618 0.051,619 -0.089,620 0.025,621 -0.051,622 -0.007,623 -0.01,624 0.029,625 -0.067,626 0.016,627 -0.068,628 -0.133,629 -0.089,630 -0.082,631 -0.094,632 -0.091,633 -0.084,634 0.021,635 -0.133,636 -0.051,637 -0.075,638 -0.091,639 -0.042,640 -0.084,641 -0.089,642 -0.1,643 -0.049,644 -0.099,645 0.025,646 -0.004,647 0.071,648 -0.032,649 0.015,650 0.025,651 2.404,652 3.507,653 0.571,654 17.946,655 0.998,656 1.121,657 1.881,658 3.54,659 0.667,660 3.135,661 3.332,662 3.497,663 3.689,664 3.85,665 3.738,666 3.807,667 3.807,668 3.714,669 3.497,670 5.649,671 0.633,672 282.37,673 3.135,674 4.595,675 5.38,676 6.196,677 7.008,678 7.837,679 8.662,680 9.498,681 10.331,682 11.172,683 5.1,693 2,699 8,700 2,704 2,706 12,724 39,726 14,728 22,730 40,731 17,733 10,736 2,739 2,740 2,751 4,753 13,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 18,773 4,774 1,775 4,779 2,784 1,785 2,795 2,802 2,818 1,822 1,823 1,830 1,832 2,840 21,845 1,846 4,862 5.1,864 1,865 1,869 10.833,870 6.767,871 4.889,872 2.386,874 2.08,875 1.342,876 0.925,877 5.805,878 8.16,879 3.434,880 3.912,881 4.388,882 4.9,883 5.393,884 5.389,885 5.772,886 5.989,887 6.124,888 6.196,889 0.833,890 26,891 7.71,893 3.094,894 7.865,895 14.669,897 11.39,899 2.365,900 49.667,904 200.109,905 104.176,906 33.571,908 67.828,911 104.176,912 267.937,913 33.571,915 10.138,916 47.381,917 149.394,918 45.746,920 153.024,922 200.109,923 137.747,924 67.828,927 200.109,928 67.828,931 46.328,932 48.372,933 43.047,935 200.109,936 101.399,937 104.176,940 200.109,941 20.605,942 83.571,944 101.399,945 200.109,946 101.399,947 104.176,949 0.545,950 0.293,951 0.161,952 0.089,953 10,954 4,955 0.175,956 7,958 1,959 3.422,960 144.194,962 12,963 80.239,968 15.084,969 8.082,970 4.939,972 101.399,973 15.001,974 8.319,978 2.09,980 42.683,981 405.684,982 30,987 10.507,989 2.135,991 0.352,994 38.927,995 43.737,996 0.279,997 0.629,998 0.777,999 0.845,1000 0.864,1001 0.864,1002 4.585,1003 1,1004 5.283,1005 2.252,1006 4.007,1007 4.595,1008 2.258,1009 5.964,1010 3.977,1011 5.732,1012 1,1013 6.749,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.977,1021 0.445,1022 8.329,1023 2.136,1024 5.442,1025 6.635,1026 3.628,1027 9.798,1028 5.398,1029 8.261,1030 -0.263,1031 9.987,1032 1.01,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.549,1038 9.582,1039 -0.705,1040 11.702,1041 -0.58,1042 7.186,1043 8.963,1044 5.201,1045 14.116,1046 7.136,1047 10.931,1048 -0.878,1049 13.459,1050 -1.547,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.763,1056 12.303,1057 -1,1058 15.245,1059 -1.954,1060 9.121,1061 11.446,1062 6.849,1063 18.633,1064 9.071,1065 3.006,1066 -1,1067 17.053,1068 -2,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.944,1074 2.278,1075 10.173,1076 18.877,1077 -2.347,1078 11.174,1079 14.023,1080 8.526,1081 23.227,1082 11.126,1083 2.234,1084 6.4,1085 20.712,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.118,1092 1.802,1093 5.184,1094 22.556,1095 3.298,1096 13.296,1097 16.66,1098 10.216,1099 27.849,1100 13.247,1101 1.555,1102 4.049,1103 24.406,1104 2.711,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.297,1110 1.317,1111 3.193,1112 26.261,1113 2.579,1114 15.456,1115 19.335,1116 11.912,1117 32.481,1118 15.405,1119 1,1120 2.88,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.48,1128 4310,1129 7590,1130 14.792,1131 26.012,1132 31.732,1133 31.98,1134 31.811,1135 31.276,1136 31.277,1137 42.029,1138 4.682,1139 78.826,1140 30.711,1141 5.227,1142 5.596,1143 6.3,1144 5.039,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 4.954,1150 8.506,1151 1.442,1152 1.454,1153 1.446,1154 1.422,1155 1.422,1156 1.91,1157 0.213,1158 3.583,1159 1.396,1160 3.985,1161 4.018,1162 3.932,1163 3.913,1164 7.474,1165 3.914,1166 3.769,1167 3.815,1168 3.703,1169 3.658,1170 6.351,1171 3.663,1172 3.723,1173 3.773,1174 3.597,1175 3.583,1176 4.954,1177 3.574,1178 3.455,1179 3.491,1180 3.351,1181 3.289,1182 4.849,1183 3.294,1184 3.143,1185 3.179,1186 3.03,1187 2.962,1188 4.272,1189 2.971,1190 2.825,1191 2.889,1192 2.643,1193 2.642,1194 3.937,1195 2.628,1196 2.781,1197 2.86,1198 2.633,1199 2.613,1200 3.805,1201 2.616,1202 2.744,1203 2.83,1204 2.6,1205 2.505,1206 3.785,1207 2.519,1208 0.199,1209 0.163,1210 0.295,1211 0.182,1212 0.137,1213 4.369,1214 0.179,1215 3.596,1216 0.106,1217 6.498,1218 0.462,1219 4.003,1220 0.136,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 2.996,1226 1.951,1227 1.923,1228 2.059,1229 2.044,1230 1.323,1231 2.05,1232 1.745,1233 1.704,1234 1.938,1235 1.887,1236 1.108,1237 1.906,1238 1.715,1239 1.662,1240 1.872,1241 1.882,1242 0.875,1243 1.882,1244 1.412,1245 1.369,1246 1.637,1247 1.62,1248 0.829,1249 1.62,1250 1.093,1251 1.053,1252 1.318,1253 1.315,1254 0.444,1255 1.31,1256 0.792,1257 0.732,1258 1.101,1259 1.063,1260 0.217,1261 1.079,1262 0.788,1263 0.722,1264 1.071,1265 0.995,1266 0.125,1267 1.024,1268 0.693,1269 0.611,1270 0.986,1271 0.972,1273 0.984,1274 3.807,1276 5.03,1278 6.45,1280 7.963,1282 9.528,1289 8.646,1290 2.616,1300 24.687,1301 57.585,1302 129.601,1303 160.131,1304 174.131,1305 178.131,1306 178.131,1307 36.047,1308 6.08,1309 63.08,1310 63.08,1311 12,1312 11.739,1313 3.907,1314 3.17,1315 39.153,1316 65,1317 79,1318 0.274,1319 157.215,1320 274.6,1321 375.365,1322 2704,1324 14.916,1325 0.71,1326 0.561,1327 14.916,1328 11.774,1329 10.271,1330 0.467,1331 0.318,1332 6.935,1333 9.972,1334 6.793,1335 5.684,1336 10.271,1337 6.999,1338 8.492,1339 0.315,1340 0.176,1341 8.492,1342 4.741,1343 6.33,1344 0.198,1345 0.098,1346 6.33,1347 3.138,1348 5.09,1349 0.131,1350 0.054,1351 5.09,1352 2.113,1353 4.034,1354 0.088,1355 0.03,1356 4.034,1357 1.38,1358 0.428,1359 63.78,1360 0.26,1361 21.1,1362 0.757,1363 98,1364 299.175,1365 105.204,1366 292.654,1367 387.03,1368 272,1369 108,1370 268.892,1371 113.655,1372 274.855,1373 388.92,1374 258,1375 7} {0 CHEMBL98251,1 1.358,2 9.455,3 4.12,4 16.973,5 88.749,6 6.87,7 0.522,8 3.808,9 3.924,10 3.288,11 3.399,12 4.921,13 3.346,14 4.305,15 4.48,16 3.557,17 3.751,18 5.428,19 3.659,20 4.561,21 4.783,22 3.543,23 3.871,24 5.506,25 3.742,26 4.583,27 4.824,28 3.484,29 3.849,30 5.479,31 3.704,32 4.567,33 4.801,34 3.516,35 3.848,36 5.487,37 3.713,38 4.591,39 4.829,40 3.471,41 3.838,42 5.533,43 3.694,44 4.559,45 4.818,46 3.326,47 3.763,48 5.407,49 3.593,50 4.46,51 4.726,52 3.211,53 3.615,54 5.329,55 3.443,56 0.037,57 0.546,58 9.187,59 4.281,60 8.003,61 5.642,62 0.175,63 0.872,64 15.897,65 6.936,66 34.625,67 9.498,68 0.166,69 1.073,70 21.382,71 8.912,72 33.756,73 12.237,74 0.161,75 1.088,76 22.044,77 9.122,78 32.844,79 12.693,80 0.158,81 1.082,82 21.614,83 8.88,84 32.735,85 12.353,86 0.179,87 1.116,88 22.268,89 8.811,90 37.193,91 12.363,92 0.154,93 1.07,94 21.674,95 8.66,96 28.568,97 12.327,98 0.111,99 0.951,100 19.699,101 7.889,102 21.325,103 11.238,104 16,105 29,106 0.238,107 0.584,108 0.76,109 0.84,110 0.867,111 0.867,112 3.146,113 0.986,114 -4.39,115 -4.32,116 -4.08,118 44.2,119 1,120 4,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 19,181 1,186 3,191 1,194 19,195 1,198 3,203 1,206 17,207 1,210 4,215 1,218 16,219 1,222 4,227 1,229 14,230 1,234 3,239 1,242 10,243 2,247 4,252 2,255 6,256 3,259 3,260 1,264 3,267 2,268 3,270 816,271 14.811,272 14.811,273 14.811,274 14.811,275 14.811,276 12.918,277 7.993,278 9.276,279 14.882,280 11.381,281 11.381,282 11.381,283 11.381,284 11.381,285 8.66,286 3.363,287 4.458,288 11.481,289 4.069,290 2.095,291 1.093,292 0.64,293 0.483,294 0.483,295 3.81,299 1,300 1,301 425,302 3.536,306 163.658,313 1.364,314 16.338,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 208,327 4.378,328 3.596,329 6.499,330 4.012,331 3.014,332 3.965,333 2.341,334 10.178,335 3.009,336 3.869,337 3.034,338 5.308,339 3.439,340 2.442,341 3.446,343 6.655,344 2.435,345 3.551,346 2.567,347 4.934,348 3.24,349 2.235,350 2.883,352 5.684,353 2.222,354 3.499,355 2.144,356 4.659,357 3.058,358 2.069,359 2.71,361 5.184,362 2.045,363 3.026,364 1.922,365 4.132,366 2.678,367 1.679,368 2.198,370 3.809,371 1.674,372 2.756,373 1.513,374 3.634,375 2.435,376 1.459,377 1.793,379 3.114,380 1.421,381 2.5,382 1.307,383 3.414,384 2.034,385 1.039,386 1.5,388 2.376,389 1.031,390 2.5,391 1,392 3.392,393 2,394 1,395 1.5,397 2.275,398 1,399 2.419,400 1,401 3.247,402 1.956,403 1,404 1.336,406 2.136,407 0.953,408 1.678,409 0.779,410 2.846,411 1.501,412 0.502,413 0.569,415 1.12,416 0.499,417 1.148,418 0.488,419 2.317,420 0.861,421 -0.142,422 -0.164,424 -0.307,425 -0.142,426 0.864,427 0.108,428 2.192,429 0.599,430 -0.396,431 -0.465,433 -0.882,434 -0.391,435 0.603,436 -0.122,437 2,438 0.162,439 -0.822,440 -1.043,442 -1.824,443 -0.792,444 0.5,445 -0.703,446 1.636,448 -1,449 -1.247,451 -2,452 -0.963,453 0.5,454 -0.884,455 1.555,456 -0.002,457 -1,458 -1.439,460 -2.347,461 -0.975,462 10.567,463 0.48,464 0.421,465 0.019,466 27.5,467 1.25,468 15,469 0.682,470 12.5,471 0.568,472 16.677,473 0.758,474 23.633,475 0.55,476 18.469,477 0.84,478 5.47,479 0.249,480 5.195,481 0.236,482 0.11,484 0.237,487 0.749,488 1.113,489 0.889,490 1.041,491 0.716,492 0.992,493 0.446,494 1.078,495 0.932,496 1.072,497 0.395,498 1.057,499 0.852,500 0.994,501 1.018,502 1.006,503 0.893,504 1.031,505 0.727,506 0.983,507 0.973,508 0.997,509 0.754,510 1.013,511 0.757,512 1.022,513 0.975,514 1.004,515 0.774,516 1.015,517 0.847,518 1.067,519 1.082,520 1.055,521 0.779,522 1.085,523 0.639,524 1.051,525 1.037,526 1.068,527 0.599,528 1.089,529 0.559,530 1.13,531 0.959,532 1.135,533 0.563,534 1.097,535 3.5,536 0.083,537 2,538 1.063,539 0.653,540 0.361,541 0.322,542 0.229,543 0.226,544 0.167,545 4751,546 13057,547 1.995,548 48.8,549 9,550 7,552 2,553 1,554 2,558 1.648,559 1.886,560 3.211,561 -0.399,563 1,567 58.38,568 1.358,569 3.331,570 4.333,571 4.787,572 4.944,573 4.944,574 2.665,575 3.789,576 4.423,577 3.396,578 784.574,579 7.619,580 8974.89,582 1,584 1,585 233.329,586 1.293,587 4.398,588 0.152,589 0.008,590 0.069,591 0.038,592 0.025,593 0.013,594 0.013,595 0.011,596 0.013,597 0.01,598 0.352,599 0.67,600 1,601 1.811,602 102.273,603 -0.046,604 -0.003,605 0.009,606 0.035,607 -0.053,608 0.028,609 0.206,610 -0.017,611 -0.017,612 -0.037,613 0.227,614 -0.049,615 -0.082,616 -0.003,617 -0.075,618 0.002,619 -0.096,620 -0.032,621 -0.041,622 -0.009,623 -0.031,624 0.004,625 -0.065,626 -0.011,627 -0.045,628 -0.032,629 -0.032,630 -0.005,631 -0.072,632 -0.017,633 -0.088,634 -0.058,635 -0.132,636 -0.075,637 -0.068,638 -0.103,639 -0.032,640 -0.064,641 -0.096,642 -0.09,643 -0.043,644 -0.097,645 0.058,646 -0.17,647 -0.012,648 -0.159,649 0.027,650 -0.102,651 2.394,652 3.548,653 0.545,654 19.653,655 0.991,656 1.118,657 3.159,658 9.98,659 0.663,660 3.178,661 3.401,662 3.555,663 3.738,664 3.932,665 3.871,666 3.932,667 3.932,668 3.85,669 3.664,670 5.83,671 0.621,672 295.41,673 3.178,674 4.654,675 5.442,676 6.267,677 7.083,678 7.918,679 8.748,680 9.59,681 10.427,682 11.273,683 2.3,693 1,699 8,700 1,704 3,706 12,724 43,726 14,727 1,728 23,730 44,731 19,733 11,734 2,735 4,736 2,739 2,740 2,745 1,751 4,753 14,754 5,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 1,840 22,845 1,846 4,862 4.7,864 1,865 1,869 11.667,870 7.817,871 5.056,872 2.669,874 2.087,875 1.337,876 0.928,877 6.054,878 8.28,879 3.466,880 3.97,881 4.443,882 4.949,883 5.467,884 5.539,885 5.872,886 6.093,887 6.246,888 6.35,889 1,890 28,891 8.1,893 3.25,894 7.788,895 15.574,897 12.217,899 2.288,900 50.333,903 1,904 235.422,905 117.044,906 16.786,908 67.828,911 117.044,912 303.25,913 16.786,914 8.825,915 10.138,916 66.334,917 109.066,918 30.837,920 211.88,922 235.422,923 133.83,924 67.828,927 235.422,928 67.828,931 37.058,932 70.51,933 26.262,935 235.422,936 84.614,937 117.044,940 235.422,941 23.79,942 93.254,944 84.614,945 235.422,946 84.614,947 117.044,949 0.555,950 0.295,951 0.155,952 0.089,953 11,954 5,955 0.159,956 7,958 1,959 3.48,960 154.951,962 12,963 94.107,968 16.129,969 8.258,970 5.237,972 84.614,973 16.05,974 4.198,978 3.483,980 42.683,981 437.08,982 31,987 10.548,989 2.184,991 0.429,994 42.592,995 48.069,996 0.25,997 0.614,998 0.798,999 0.882,1000 0.911,1001 0.911,1002 4.635,1003 1,1004 5.371,1005 2.376,1006 4.078,1007 4.654,1008 2.258,1009 6.066,1010 4.063,1011 5.801,1012 1,1013 6.853,1014 2.275,1015 3.434,1016 4.182,1017 2.243,1018 6.804,1019 3.426,1020 7.062,1021 0.502,1022 8.443,1023 2.136,1024 5.541,1025 6.726,1026 3.628,1027 9.884,1028 5.52,1029 8.36,1030 -0.142,1031 10.103,1032 1.12,1033 5.74,1034 7.068,1035 4.112,1036 11.574,1037 5.73,1038 9.69,1039 -0.396,1040 11.812,1041 -0.307,1042 7.292,1043 9.072,1044 5.201,1045 14.162,1046 7.269,1047 11.045,1048 -0.822,1049 13.558,1050 -0.882,1051 7.923,1052 9.833,1053 5.889,1054 16.235,1055 7.91,1056 12.419,1057 -1,1058 15.332,1059 -1.824,1060 9.221,1061 11.567,1062 6.849,1063 18.657,1064 9.197,1065 3.014,1066 -1,1067 17.128,1068 -2,1069 10.082,1070 12.57,1071 7.625,1072 20.88,1073 10.066,1074 2.442,1075 10.178,1076 18.94,1077 -2.347,1078 11.262,1079 14.15,1080 8.526,1081 23.24,1082 11.239,1083 2.235,1084 6.655,1085 20.765,1086 3.965,1087 12.243,1088 15.299,1089 9.342,1090 25.522,1091 12.225,1092 2.069,1093 5.684,1094 22.6,1095 3.446,1096 13.373,1097 16.791,1098 10.216,1099 27.858,1100 13.35,1101 1.679,1102 5.184,1103 24.442,1104 2.883,1105 14.415,1106 18.029,1107 11.051,1108 30.163,1109 14.394,1110 1.459,1111 3.809,1112 26.291,1113 2.71,1114 15.525,1115 19.469,1116 11.912,1117 32.49,1118 15.5,1119 1.039,1120 3.114,1121 28.145,1122 2.198,1123 16.596,1124 20.761,1125 12.755,1126 34.803,1127 16.573,1128 4859,1129 8128,1130 15.197,1131 28.529,1132 33.395,1133 33.63,1134 33.697,1135 32.88,1136 32.878,1137 43.802,1138 4.682,1139 85.061,1140 32.578,1141 5.236,1142 5.596,1143 6.301,1144 5.048,1145 5.014,1146 6.965,1147 3.925,1148 16.918,1149 5.009,1150 10.659,1151 1.452,1152 1.462,1153 1.465,1154 1.43,1155 1.429,1156 1.904,1157 0.204,1158 3.698,1159 1.416,1160 4.006,1161 4.035,1162 3.95,1163 3.955,1164 7.474,1165 3.95,1166 3.809,1167 3.848,1168 3.738,1169 3.727,1170 6.351,1171 3.724,1172 3.726,1173 3.775,1174 3.599,1175 3.588,1176 4.923,1177 3.579,1178 3.472,1179 3.508,1180 3.371,1181 3.322,1182 4.73,1183 3.324,1184 3.222,1185 3.276,1186 3.087,1187 3.048,1188 4.257,1189 3.048,1190 3.009,1191 3.077,1192 2.809,1193 2.821,1194 3.951,1195 2.81,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.804,1201 2.715,1202 2.805,1203 2.875,1204 2.638,1205 2.621,1206 3.723,1207 2.62,1208 0.19,1209 0.156,1210 0.283,1211 0.174,1212 0.131,1213 4.378,1214 0.172,1215 3.596,1216 0.102,1217 6.499,1218 0.443,1219 4.012,1220 0.131,1221 3.014,1222 3.965,1223 2.341,1224 10.178,1225 3.009,1226 1.985,1227 1.961,1228 2.092,1229 2.057,1230 1.327,1231 2.07,1232 1.804,1233 1.769,1234 1.971,1235 1.915,1236 1.178,1237 1.932,1238 1.717,1239 1.665,1240 1.912,1241 1.886,1242 0.989,1243 1.9,1244 1.438,1245 1.396,1246 1.659,1247 1.632,1248 0.836,1249 1.636,1250 1.207,1251 1.149,1252 1.517,1253 1.424,1254 0.625,1255 1.454,1256 0.995,1257 0.932,1258 1.275,1259 1.248,1260 0.394,1261 1.257,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.79,1269 0.729,1270 1.091,1271 1.033,1272 0.196,1273 1.057,1274 3.85,1276 5.094,1278 6.526,1280 8.049,1282 9.623,1284 2.073,1289 8.68,1290 2.688,1300 26.719,1301 58.38,1302 143.237,1303 186.31,1304 205.82,1305 212.574,1306 212.574,1307 39.442,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.837,1313 3.907,1314 3.17,1315 42.078,1316 70,1317 86,1318 0.273,1319 169.606,1320 298.2,1321 405.598,1322 3097,1324 15.786,1325 0.718,1326 0.583,1327 15.786,1328 12.827,1329 10.665,1330 0.464,1331 0.329,1332 7.514,1333 10.441,1334 7.285,1335 6.125,1336 10.665,1337 7.56,1338 9.114,1339 0.314,1340 0.185,1341 9.114,1342 5.365,1343 6.74,1344 0.198,1345 0.104,1346 6.74,1347 3.528,1348 5.242,1349 0.128,1350 0.057,1351 5.242,1352 2.325,1353 4.264,1354 0.085,1355 0.032,1356 4.264,1357 1.598,1358 0.426,1359 65.643,1360 0.257,1361 21.961,1362 0.754,1363 104,1364 287.53,1365 109.816,1366 284.271,1367 378.18,1368 264,1369 115,1370 264.779,1371 119.157,1372 272.934,1373 386.54,1374 256,1375 7.071} {0 CHEMBL98282,1 1.548,2 8.9,3 3.587,4 12.867,5 82.542,6 7.768,7 0.524,8 3.675,9 3.776,10 3.325,11 3.322,12 4.808,13 3.247,14 4.158,15 4.311,16 3.604,17 3.674,18 5.322,19 3.553,20 4.39,21 4.613,22 3.474,23 3.704,24 5.325,25 3.549,26 4.34,27 4.554,28 3.541,29 3.708,30 5.287,31 3.557,32 4.384,33 4.581,34 3.581,35 3.761,36 5.351,37 3.597,38 4.427,39 4.654,40 3.411,41 3.699,42 5.385,43 3.517,44 4.313,45 4.574,46 3.119,47 3.51,48 5.16,49 3.307,50 4.098,51 4.357,52 3.002,53 3.271,54 5.009,55 3.088,56 0.024,57 0.475,58 7.718,59 3.793,60 7.77,61 4.604,62 0.151,63 0.773,64 14.664,65 6.424,66 34.085,67 7.925,68 0.173,69 0.925,70 20.959,71 8.191,72 34.924,73 10.205,74 0.144,75 0.89,76 19.317,77 7.819,78 29.745,79 9.738,80 0.158,81 0.965,82 22.599,83 8.48,84 29.805,85 10.187,86 0.169,87 0.985,88 22.423,89 8.48,90 35.13,91 10.519,92 0.155,93 0.867,94 20.804,95 7.647,96 27.908,97 9.761,98 0.09,99 0.686,100 16.469,101 6.156,102 17.537,103 7.856,104 11,105 26,106 0.281,107 0.642,108 0.808,109 0.887,110 0.907,111 0.907,112 3.056,113 1.073,114 -3.75,115 -3.72,116 -3.53,118 43.2,120 4,133 1,134 1,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 9,169 1,172 3,175 1,177 1,180 11,181 1,186 3,191 1,194 11,195 1,198 2,203 1,206 11,207 1,210 4,215 1,218 10,219 1,222 3,227 1,229 7,230 1,234 2,239 1,242 5,243 1,247 2,252 1,255 2,256 3,259 3,260 1,264 3,268 2,270 612,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.918,277 5.568,278 8.69,279 13.929,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.922,286 1.893,287 4.171,288 10.839,289 3.662,290 1.676,291 0.757,292 0.324,293 0.216,294 0.216,295 3.718,298 1,299 1,300 1,301 367,302 3.464,305 62.988,306 74.192,313 1.23,314 15.421,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42.5,326 178,327 4.375,328 3.596,329 6.499,330 3.982,331 3.011,332 3.954,333 2.341,334 10.176,335 2.928,336 3.748,337 3.028,338 5.254,339 3.24,340 2.29,341 3.313,343 6.425,344 2.222,345 3.55,346 2.291,347 4.659,348 3.227,349 2.234,350 2.711,352 5.184,353 2.132,354 3.257,355 1.985,356 4.228,357 2.76,358 1.788,359 2.535,361 4.052,362 1.731,363 2.758,364 1.614,365 3.645,366 2.511,367 1.532,368 1.817,370 3.163,371 1.492,372 2.581,373 1.307,374 3.481,375 2.153,376 1.184,377 1.592,379 2.648,380 1.141,381 2.5,382 1.129,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.953,390 2.292,391 1,392 3.191,393 1.889,394 0.912,395 1.16,397 1.996,398 0.88,399 2.118,400 0.678,401 3,402 1.465,403 0.618,404 0.927,406 1.372,407 0.507,408 1.622,409 0.618,410 2.752,411 1.348,412 0.373,413 0.453,415 0.86,416 0.36,417 0.912,418 0.363,419 2.192,420 0.697,421 -0.298,422 -0.324,424 -0.664,425 -0.292,426 0.616,427 -0.004,428 2.073,429 0.169,430 -0.807,431 -1.04,433 -1.788,434 -0.774,435 0.5,436 -0.703,437 1.555,438 0.004,439 -1,440 -1.225,442 -2,443 -0.955,444 0.402,445 -0.898,446 1.53,447 -0.026,448 -1,449 -1.443,451 -2.347,452 -0.975,453 0.142,454 -1,455 1.032,456 -0.146,457 -1.11,458 -1.5,460 -2.584,461 -1.114,462 9.9,463 0.495,464 0.315,465 0.016,466 24.5,467 1.225,468 13,469 0.65,470 11.5,471 0.575,472 15.223,473 0.761,474 21.3,475 0.576,476 14.863,477 0.743,478 4.699,479 0.235,480 5.072,481 0.254,482 0.067,484 0.202,487 0.75,488 1.024,489 0.778,490 0.887,491 0.7,492 0.91,493 0.469,494 1.072,495 0.965,496 1.046,497 0.401,498 1.07,499 0.889,500 0.912,501 0.964,502 0.916,503 0.911,504 0.956,505 0.809,506 0.896,507 0.898,508 0.875,509 0.813,510 0.929,511 0.83,512 1.142,513 1.271,514 1.217,515 0.823,516 1.123,517 0.867,518 1.112,519 1.156,520 1.115,521 0.792,522 1.144,523 0.7,524 0.978,525 1.078,526 1.044,527 0.638,528 1.062,529 0.662,530 1.041,531 0.949,532 1.059,533 0.655,534 1.026,535 2.5,536 0.077,537 1.556,538 0.84,539 0.431,540 0.282,541 0.185,542 0.099,543 0.163,544 0.121,545 3742,546 11784,547 2.024,548 45.9,549 6,550 5,551 1,552 2,553 1,554 2,558 1.619,559 1.935,560 3.107,561 -0.32,563 1,565 1,567 57.263,568 1.548,569 3.534,570 4.453,571 4.885,572 4.993,573 4.993,574 2.485,575 3.584,576 4.288,577 3.305,578 627.92,579 7.334,580 6717.79,581 1,582 1,583 1,584 1,585 192.75,586 1.157,587 4.273,588 0.119,589 0.009,590 0.06,591 0.037,592 0.018,593 0.012,594 0.009,595 0.007,596 0.013,597 0.009,598 0.291,599 0.67,600 1,601 1.845,602 89.879,603 -0.056,604 0.019,605 0.045,606 0.081,607 -0.048,608 0.044,609 0.189,610 -0.039,611 -0.033,612 -0.042,613 0.22,614 -0.096,615 -0.084,616 0.045,617 -0.027,618 0.053,619 -0.087,620 0.034,621 -0.061,622 0.072,623 0.04,624 0.103,625 -0.072,626 0.062,627 -0.079,628 -0.128,629 -0.149,630 -0.124,631 -0.104,632 -0.12,633 -0.101,634 -0.122,635 -0.165,636 -0.127,637 -0.073,638 -0.161,639 -0.043,640 -0.012,641 -0.101,642 -0.071,643 -0.039,644 -0.061,645 0.058,646 -0.098,647 0.02,648 -0.094,649 0.033,650 -0.024,651 2.389,652 3.483,653 0.55,654 16.46,655 0.997,656 1.112,657 2.524,658 6.368,659 0.693,660 3.091,661 3.296,662 3.466,663 3.664,664 3.714,665 3.689,666 3.714,667 3.664,668 3.555,669 3.296,670 5.524,671 0.645,672 287.41,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.48,681 10.315,682 11.16,683 2.7,693 1,699 7,700 1,703 1,704 2,706 11,724 37,726 13,728 21,730 38,731 16,733 9,736 2,739 2,740 2,751 4,753 12,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,840 20,845 1,846 4,856 1,862 5.4,864 1,865 1,869 10.333,870 6.4,871 4.639,872 2.267,874 1.882,875 1.316,876 0.933,877 5.783,878 7.838,879 3.384,880 3.866,881 4.345,882 4.861,883 5.161,884 5.317,885 5.619,886 5.778,887 5.88,888 5.88,889 0.833,890 23,891 7.361,893 2.968,894 7.825,895 14.123,897 11.121,899 2.325,900 46.5,901 0.001,904 188.338,905 123.18,906 16.786,908 67.828,910 31.278,911 91.903,912 256.166,913 16.786,915 10.138,916 55.03,917 109.066,918 24.466,919 13.13,920 184.302,922 188.338,923 108.688,924 67.828,925 31.278,927 188.338,928 67.828,931 28.233,932 54.193,933 26.262,934 31.278,935 188.338,936 84.614,937 123.18,940 188.338,941 50.055,942 73.125,944 84.614,945 188.338,946 84.614,947 123.18,949 0.548,950 0.295,951 0.162,952 0.08,953 10,954 4,955 0.184,956 7,958 1,959 3.342,960 134.408,962 11,963 86.439,964 1,968 14.766,969 7.833,970 4.771,972 84.614,973 13.807,974 4.169,977 1.704,978 2.324,980 42.683,981 396.132,982 28.5,987 10.483,989 2.185,991 0.461,994 36.902,995 41.159,996 0.297,997 0.678,998 0.855,999 0.938,1000 0.958,1001 0.958,1002 4.541,1003 0.912,1004 5.252,1005 2.136,1006 3.97,1007 4.549,1008 2.258,1009 5.943,1010 3.898,1011 5.691,1012 0.618,1013 6.725,1014 1.996,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.134,1020 6.941,1021 0.373,1022 8.312,1023 1.372,1024 5.416,1025 6.595,1026 3.628,1027 9.793,1028 5.288,1029 8.233,1030 -0.298,1031 9.976,1032 0.86,1033 5.602,1034 6.938,1035 4.112,1036 11.523,1037 5.443,1038 9.562,1039 -0.807,1040 11.696,1041 -0.664,1042 7.171,1043 8.927,1044 5.201,1045 14.116,1046 6.991,1047 10.918,1048 -1,1049 13.456,1050 -1.788,1051 7.821,1052 9.735,1053 5.889,1054 16.213,1055 7.606,1056 12.297,1057 -1,1058 15.244,1059 -2,1060 9.118,1061 11.423,1062 6.849,1063 18.636,1064 8.886,1065 3.011,1066 -1.11,1067 17.054,1068 -2.347,1069 10.003,1070 12.48,1071 7.625,1072 20.869,1073 9.736,1074 2.29,1075 10.176,1076 18.879,1077 -2.584,1078 11.183,1079 14.016,1080 8.526,1081 23.23,1082 10.896,1083 2.234,1084 6.425,1085 20.715,1086 3.954,1087 12.182,1088 15.212,1089 9.342,1090 25.515,1091 11.864,1092 1.788,1093 5.184,1094 22.559,1095 3.313,1096 13.312,1097 16.67,1098 10.216,1099 27.853,1100 12.972,1101 1.532,1102 4.052,1103 24.409,1104 2.711,1105 14.366,1106 17.943,1107 11.051,1108 30.158,1109 13.996,1110 1.184,1111 3.163,1112 26.264,1113 2.535,1114 15.478,1115 19.36,1116 11.912,1117 32.485,1118 15.083,1119 1,1120 2.648,1121 28.123,1122 1.817,1123 16.557,1124 20.676,1125 12.755,1126 34.799,1127 16.133,1128 3818,1129 6847,1130 14.099,1131 25.654,1132 30.458,1133 30.378,1134 30.391,1135 29.827,1136 29.886,1137 39.925,1138 4.682,1139 76.024,1140 28.694,1141 5.233,1142 5.596,1143 6.301,1144 5.045,1145 5.011,1146 6.954,1147 3.925,1148 16.925,1149 4.886,1150 8.219,1151 1.45,1152 1.447,1153 1.447,1154 1.42,1155 1.423,1156 1.901,1157 0.223,1158 3.62,1159 1.366,1160 3.98,1161 4.002,1162 4.233,1163 3.983,1164 7.474,1165 3.932,1166 3.755,1167 3.788,1168 3.801,1169 3.717,1170 6.351,1171 3.682,1172 3.722,1173 3.762,1174 3.601,1175 3.587,1176 4.918,1177 3.576,1178 3.447,1179 3.481,1180 3.355,1181 3.285,1182 4.669,1183 3.287,1184 3.116,1185 3.152,1186 3.005,1187 2.933,1188 4.222,1189 2.942,1190 2.809,1191 2.877,1192 2.682,1193 2.622,1194 3.902,1195 2.62,1196 2.74,1197 2.823,1198 2.639,1199 2.499,1200 3.79,1201 2.513,1202 2.532,1203 2.615,1204 2.588,1205 2.376,1206 3.505,1207 2.335,1208 0.208,1209 0.171,1210 0.309,1211 0.19,1212 0.143,1213 4.375,1214 0.188,1215 3.596,1216 0.111,1217 6.499,1218 0.485,1219 3.982,1220 0.139,1221 3.011,1222 3.954,1223 2.341,1224 10.176,1225 2.928,1226 1.904,1227 1.877,1228 2.025,1229 1.999,1230 1.321,1231 2.01,1232 1.719,1233 1.667,1234 1.923,1235 1.886,1236 1.072,1237 1.902,1238 1.527,1239 1.494,1240 1.695,1241 1.667,1242 0.838,1243 1.674,1244 1.421,1245 1.394,1246 1.608,1247 1.557,1248 0.699,1249 1.58,1250 1.248,1251 1.232,1252 1.344,1253 1.37,1254 0.594,1255 1.408,1256 0.935,1257 0.906,1258 1.104,1259 1.128,1260 0.312,1261 1.163,1262 0.79,1263 0.729,1264 1.065,1265 1.003,1266 0.175,1267 1.04,1268 0.675,1269 0.594,1270 0.956,1271 0.93,1273 0.956,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.898,1281 6.293,1282 9.453,1289 8.628,1290 2.739,1300 23.853,1301 57.263,1302 130.75,1303 164.75,1304 180.75,1305 184.75,1306 184.75,1307 33.199,1308 5.956,1309 50.19,1310 78.43,1311 11,1312 11.724,1313 3.807,1314 3.087,1315 36.377,1316 61,1317 72,1318 0.274,1319 154.887,1320 267.45,1321 369.684,1322 2272,1324 14.209,1325 0.71,1326 0.599,1327 14.562,1328 11.975,1329 9.771,1330 0.465,1331 0.358,1332 6.665,1333 9.057,1334 6.44,1335 5.375,1336 10.225,1337 7.513,1338 8.138,1339 0.313,1340 0.209,1341 8.722,1342 5.424,1343 6.08,1344 0.196,1345 0.124,1346 6.745,1347 3.856,1348 4.914,1349 0.129,1350 0.073,1351 5.596,1352 2.771,1353 3.422,1354 0.086,1355 0.04,1356 3.8,1357 1.58,1358 0.429,1359 64.821,1360 0.266,1361 20.241,1362 0.752,1363 94,1364 280.391,1365 122.098,1366 294.442,1367 389.21,1368 274,1369 104,1370 255.179,1371 126.53,1372 274.351,1373 390.94,1374 258,1375 7.268} {0 CHEMBL98371,1 1.653,2 8.9,3 2.496,4 6.229,5 80.337,6 8.011,7 0.524,8 3.659,9 3.761,10 3.334,11 3.28,12 4.822,13 3.218,14 4.139,15 4.295,16 3.621,17 3.615,18 5.336,19 3.513,20 4.348,21 4.572,22 3.472,23 3.642,24 5.316,25 3.506,26 4.312,27 4.526,28 3.551,29 3.653,30 5.296,31 3.516,32 4.351,33 4.553,34 3.59,35 3.692,36 5.37,37 3.547,38 4.355,39 4.572,40 3.414,41 3.628,42 5.366,43 3.466,44 4.259,45 4.516,46 3.12,47 3.448,48 5.148,49 3.263,50 4.044,51 4.297,52 3.006,53 3.213,54 5.003,55 3.049,56 0.028,57 0.497,58 7.183,59 3.566,60 8.602,61 4.241,62 0.175,63 0.797,64 14.3,65 5.795,66 35.932,67 7.201,68 0.199,69 0.892,70 19.2,71 7.376,72 38.495,73 9.298,74 0.172,75 0.886,76 18.661,77 7.233,78 33.279,79 8.945,80 0.234,81 0.968,82 22.039,83 7.628,84 35.491,85 9.029,86 0.195,87 0.935,88 20.675,89 7.498,90 35.527,91 9.145,92 0.194,93 0.825,94 19.886,95 6.849,96 30.593,97 8.693,98 0.115,99 0.652,100 15.612,101 5.532,102 19.395,103 7.022,104 11,105 26,106 0.302,107 0.658,108 0.819,109 0.883,110 0.904,111 0.904,112 3.056,113 1.053,114 -2.7,115 -2.71,116 -2.64,118 41.7,120 4,133 1,134 1,140 2,141 1,143 3,149 1,154 1,157 1,163 1,167 1,168 8,169 1,172 5,175 1,177 1,180 8,181 1,186 5,191 1,194 8,195 1,198 4,203 1,206 7,207 1,209 1,210 5,215 1,218 6,219 1,222 3,227 1,229 4,230 1,234 3,239 1,242 3,243 1,247 2,248 1,252 1,255 1,256 2,258 1,259 2,260 1,262 1,264 2,268 1,270 612,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.918,277 5.568,278 8.69,279 14.001,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.922,286 1.893,287 4.171,288 10.96,289 3.517,290 1.567,291 0.688,292 0.333,293 0.222,294 0.222,295 3.718,298 1,299 1,300 1,301 367,302 3.464,305 62.988,306 74.192,313 1.23,314 17.429,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 43,326 178,327 4.375,328 3.596,329 6.499,330 3.974,331 3.011,332 3.954,333 2.341,334 10.176,335 2.908,336 3.748,337 3.028,338 5.254,339 3.24,340 2.29,341 3.313,343 6.425,344 2.222,345 3.55,346 2.291,347 4.659,348 3.205,349 2.234,350 2.711,352 5.184,353 2.083,354 3.257,355 1.985,356 4.228,357 2.752,358 1.788,359 2.535,361 4.052,362 1.71,363 2.758,364 1.614,365 3.645,366 2.507,367 1.532,368 1.817,370 3.163,371 1.482,372 2.581,373 1.307,374 3.481,375 2.147,376 1.184,377 1.592,379 2.648,380 1.133,381 2.5,382 1.129,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.953,390 2.292,391 1,392 3.191,393 1.88,394 0.912,395 1.16,397 1.996,398 0.871,399 2.118,400 0.678,401 3,402 1.418,403 0.618,404 0.927,406 1.372,407 0.486,408 1.622,409 0.618,410 2.752,411 1.341,412 0.373,413 0.453,415 0.86,416 0.357,417 0.912,418 0.363,419 2.192,420 0.695,421 -0.298,422 -0.324,424 -0.664,425 -0.292,426 0.616,427 -0.004,428 2.073,429 0.169,430 -0.807,431 -1.04,433 -1.788,434 -0.773,435 0.5,436 -0.703,437 1.555,438 0.003,439 -1,440 -1.225,442 -2,443 -0.955,444 0.402,445 -0.898,446 1.53,447 -0.026,448 -1,449 -1.443,451 -2.347,452 -0.975,453 0.142,454 -1,455 1.032,456 -0.149,457 -1.11,458 -1.5,460 -2.584,461 -1.108,462 9.8,463 0.49,464 0.315,465 0.016,466 25,467 1.25,468 13,469 0.65,470 12,471 0.6,472 14.917,473 0.746,474 21.4,475 0.594,476 15.169,477 0.758,478 4.787,479 0.239,480 4.984,481 0.249,482 0.068,484 0.204,487 0.768,488 1.133,489 0.759,490 0.915,491 0.701,492 0.916,493 0.519,494 1.168,495 0.942,496 1.087,497 0.423,498 1.065,499 0.897,500 0.896,501 0.856,502 0.843,503 0.93,504 0.927,505 0.846,506 0.957,507 0.898,508 0.887,509 0.831,510 0.931,511 0.928,512 1.049,513 1.299,514 1.171,515 0.875,516 1.075,517 0.948,518 1.14,519 1.211,520 1.152,521 0.853,522 1.178,523 0.794,524 0.938,525 1.126,526 1.039,527 0.694,528 1.064,529 0.746,530 1.041,531 0.999,532 1.085,533 0.709,534 1.056,535 2.5,536 0.077,537 1.556,538 0.84,539 0.431,540 0.282,541 0.185,542 0.099,543 0.163,544 0.121,545 3742,546 12406,547 2.024,548 44.4,549 6,550 3,551 1,552 3,553 1,554 2,558 1.619,559 1.935,560 3.107,561 -0.271,562 1,563 1,565 1,567 59.514,568 1.653,569 3.603,570 4.482,571 4.837,572 4.948,573 4.948,574 2.485,575 3.584,576 4.288,577 3.305,578 627.92,579 7.334,580 6717.79,581 1,582 1,584 1,585 186.117,586 1.157,587 4.273,588 0.119,589 0.009,590 0.06,591 0.037,592 0.018,593 0.012,594 0.009,595 0.007,596 0.013,597 0.009,598 0.291,599 0.5,600 1,601 1.845,602 89.879,603 -0.064,604 -0.057,605 0.045,606 0.057,607 -0.046,608 0.028,609 0.18,610 -0.11,611 -0.012,612 -0.083,613 0.215,614 -0.101,615 -0.083,616 0.038,617 0.021,618 0.089,619 -0.089,620 0.063,621 -0.069,622 0.013,623 0.046,624 0.094,625 -0.074,626 0.062,627 -0.097,629 -0.159,630 -0.078,631 -0.119,632 -0.087,633 -0.141,634 -0.142,635 -0.207,636 -0.152,637 -0.1,638 -0.198,639 -0.085,640 0.026,641 -0.131,642 -0.062,643 -0.065,644 -0.062,645 0.016,646 -0.102,647 -0.016,648 -0.116,649 0.007,650 -0.052,651 2.401,652 3.473,653 0.55,654 16.46,655 1.003,656 1.118,657 1.466,658 2.15,659 0.692,660 3.091,661 3.296,662 3.466,663 3.664,664 3.714,665 3.689,666 3.714,667 3.664,668 3.555,669 3.296,670 5.524,671 0.649,672 288.4,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.48,681 10.315,682 11.16,683 5.6,693 2,699 6,700 2,703 1,704 2,706 11,724 36,726 13,728 21,730 37,731 15,733 8,736 2,739 2,740 2,751 4,753 11,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 16,773 4,774 1,775 5,776 1,779 2,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,840 20,845 1,846 4,855 1,862 5.6,864 1,865 1,869 10.333,870 6.267,871 4.639,872 2.189,874 1.882,875 1.316,876 0.928,877 5.722,878 7.838,879 3.384,880 3.866,881 4.345,882 4.861,883 5.161,884 5.317,885 5.619,886 5.778,887 5.88,888 5.88,889 0.833,890 23,891 7.35,893 2.964,894 7.875,895 13.994,897 10.928,899 2.375,900 47.5,901 0.001,904 176.567,905 112.846,906 33.571,908 67.828,910 31.278,911 81.569,912 244.395,913 33.571,915 10.138,916 36.078,917 138.552,918 33.513,919 11.771,920 160.76,922 176.567,923 115.14,924 67.828,925 31.278,927 176.567,928 67.828,931 38.21,932 33.883,933 43.047,934 31.278,935 176.567,936 101.399,937 112.846,940 176.567,941 49.626,942 63.22,944 101.399,945 176.567,946 101.399,947 112.846,949 0.548,950 0.295,951 0.162,952 0.08,953 10,954 4,955 0.189,956 7,958 1,959 3.342,960 134.408,962 11,963 86.439,964 1,968 14.702,969 7.783,970 4.734,972 101.399,973 11.22,974 8.49,977 1.593,978 2.011,980 42.683,981 390.812,982 28.5,987 10.473,989 2.123,991 0.338,994 36.12,995 40.242,996 0.32,997 0.697,998 0.867,999 0.936,1000 0.957,1001 0.957,1002 4.541,1003 0.912,1004 5.252,1005 2.136,1006 3.97,1007 4.549,1008 2.258,1009 5.943,1010 3.879,1011 5.691,1012 0.618,1013 6.725,1014 1.996,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.115,1020 6.941,1021 0.373,1022 8.312,1023 1.372,1024 5.416,1025 6.595,1026 3.628,1027 9.793,1028 5.253,1029 8.233,1030 -0.298,1031 9.976,1032 0.86,1033 5.602,1034 6.938,1035 4.112,1036 11.523,1037 5.406,1038 9.562,1039 -0.807,1040 11.696,1041 -0.664,1042 7.171,1043 8.927,1044 5.201,1045 14.116,1046 6.944,1047 10.918,1048 -1,1049 13.456,1050 -1.788,1051 7.821,1052 9.735,1053 5.889,1054 16.213,1055 7.555,1056 12.297,1057 -1,1058 15.244,1059 -2,1060 9.118,1061 11.423,1062 6.849,1063 18.636,1064 8.827,1065 3.011,1066 -1.11,1067 17.054,1068 -2.347,1069 10.003,1070 12.48,1071 7.625,1072 20.869,1073 9.673,1074 2.29,1075 10.176,1076 18.879,1077 -2.584,1078 11.183,1079 14.016,1080 8.526,1081 23.23,1082 10.826,1083 2.234,1084 6.425,1085 20.715,1086 3.954,1087 12.182,1088 15.212,1089 9.342,1090 25.515,1091 11.788,1092 1.788,1093 5.184,1094 22.559,1095 3.313,1096 13.312,1097 16.67,1098 10.216,1099 27.853,1100 12.89,1101 1.532,1102 4.052,1103 24.409,1104 2.711,1105 14.366,1106 17.943,1107 11.051,1108 30.158,1109 13.907,1110 1.184,1111 3.163,1112 26.264,1113 2.535,1114 15.478,1115 19.36,1116 11.912,1117 32.485,1118 14.987,1119 1,1120 2.648,1121 28.123,1122 1.817,1123 16.557,1124 20.676,1125 12.755,1126 34.799,1127 16.031,1128 3818,1129 7033,1130 14.099,1131 24.898,1132 30.458,1133 30.378,1134 30.391,1135 29.79,1136 29.886,1137 39.925,1138 4.682,1139 76.024,1140 28.413,1141 5.233,1142 5.596,1143 6.301,1144 5.043,1145 5.011,1146 6.954,1147 3.925,1148 16.925,1149 4.863,1150 8.219,1151 1.45,1152 1.447,1153 1.447,1154 1.419,1155 1.423,1156 1.901,1157 0.223,1158 3.62,1159 1.353,1160 3.966,1161 3.994,1162 4.223,1163 3.931,1164 7.474,1165 3.897,1166 3.737,1167 3.782,1168 3.8,1169 3.68,1170 6.351,1171 3.635,1172 3.71,1173 3.745,1174 3.601,1175 3.585,1176 4.944,1177 3.57,1178 3.443,1179 3.478,1180 3.355,1181 3.282,1182 4.81,1183 3.281,1184 3.115,1185 3.151,1186 3.004,1187 2.933,1188 4.232,1189 2.941,1190 2.809,1191 2.877,1192 2.639,1193 2.622,1194 3.903,1195 2.62,1196 2.74,1197 2.822,1198 2.601,1199 2.499,1200 3.79,1201 2.513,1202 2.527,1203 2.611,1204 2.586,1205 2.346,1206 3.505,1207 2.324,1208 0.208,1209 0.171,1210 0.309,1211 0.189,1212 0.143,1213 4.375,1214 0.188,1215 3.596,1216 0.111,1217 6.499,1218 0.485,1219 3.974,1220 0.138,1221 3.011,1222 3.954,1223 2.341,1224 10.176,1225 2.908,1226 1.897,1227 1.868,1228 2.021,1229 1.998,1230 1.319,1231 2.007,1232 1.718,1233 1.667,1234 1.922,1235 1.886,1236 1.056,1237 1.902,1238 1.481,1239 1.452,1240 1.662,1241 1.656,1242 0.837,1243 1.656,1244 1.356,1245 1.326,1246 1.49,1247 1.512,1248 0.594,1249 1.52,1250 1.208,1251 1.175,1252 1.34,1253 1.369,1254 0.494,1255 1.396,1256 0.869,1257 0.836,1258 1.094,1259 1.107,1260 0.228,1261 1.126,1262 0.79,1263 0.729,1264 1.008,1265 0.996,1266 0.107,1267 1.029,1268 0.669,1269 0.59,1270 0.904,1271 0.903,1273 0.935,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.898,1281 6.293,1282 9.453,1289 8.618,1290 2.635,1300 23.347,1301 59.514,1302 129.711,1303 161.362,1304 174.117,1305 178.117,1306 178.117,1307 33.569,1308 5.956,1309 63.08,1310 91.32,1311 11,1312 11.724,1313 3.807,1314 3.087,1315 36.377,1316 61,1317 72,1318 0.274,1319 152.089,1320 261.15,1321 362.857,1322 2272,1324 14.209,1325 0.71,1326 0.592,1327 14.562,1328 11.845,1329 9.771,1330 0.465,1331 0.351,1332 6.508,1333 9.007,1334 6.299,1335 5.254,1336 10.225,1337 7.373,1338 8.138,1339 0.313,1340 0.201,1341 8.722,1342 5.231,1343 6.08,1344 0.196,1345 0.117,1346 6.745,1347 3.635,1348 4.914,1349 0.129,1350 0.068,1351 5.596,1352 2.575,1353 3.422,1354 0.086,1355 0.038,1356 3.8,1357 1.505,1358 0.429,1359 65.275,1360 0.266,1361 20.241,1362 0.752,1363 94,1364 300.036,1365 124.375,1366 311.69,1367 411.65,1368 290,1369 104,1370 271.644,1371 128.64,1372 289.907,1373 414.16,1374 272,1375 6.009} {0 CHEMBL98372,1 1.339,2 10.565,3 4.233,4 17.922,5 93.224,6 6.727,7 0.5,8 3.87,9 3.989,10 3.342,11 3.446,12 4.929,13 3.392,14 4.389,15 4.569,16 3.58,17 3.776,18 5.41,19 3.683,20 4.624,21 4.861,22 3.577,23 3.872,24 5.514,25 3.75,26 4.568,27 4.785,28 3.555,29 3.86,30 5.523,31 3.738,32 4.636,33 4.856,34 3.568,35 3.914,36 5.571,37 3.78,38 4.721,39 4.978,40 3.491,41 3.918,42 5.57,43 3.752,44 4.665,45 4.946,46 3.304,47 3.804,48 5.433,49 3.612,50 4.517,51 4.811,52 3.156,53 3.603,54 5.287,55 3.414,56 0.03,57 0.586,58 10.045,59 4.63,60 6.966,61 6.171,62 0.219,63 0.928,64 17.89,65 7.405,66 25.714,67 10.097,68 0.216,69 1.11,70 23.325,71 9.238,72 29.896,73 12.711,74 0.183,75 1.07,76 21.771,77 8.845,78 31.893,79 12.097,80 0.2,81 1.151,82 23.322,83 9.412,84 35.729,85 12.961,86 0.2,87 1.25,88 25.609,89 10.071,90 35.59,91 14.33,92 0.175,93 1.164,94 24.338,95 9.581,96 29.303,97 13.817,98 0.139,99 0.977,100 21.102,101 8.231,102 23.383,103 11.879,104 13,105 29,106 0.232,107 0.546,108 0.745,109 0.834,110 0.87,111 0.87,112 3.187,113 1.016,114 -4.62,115 -4.54,116 -4.27,118 43.5,119 1,120 4,124 1,133 1,134 1,140 7,141 2,143 2,154 1,168 15,171 1,172 5,180 17,186 4,194 17,198 5,206 17,210 5,218 16,222 5,229 13,234 4,242 9,247 5,255 5,259 6,267 2,270 894,271 15.941,272 15.941,273 15.941,274 15.941,275 15.941,276 14.126,277 7.658,278 10.259,279 16.2,280 11.863,281 11.863,282 11.863,283 11.863,284 11.863,285 9.222,286 3.509,287 4.837,288 12.15,289 4.184,290 2.369,291 1.216,292 0.701,293 0.495,294 0.495,295 3.856,299 1,300 1,301 501,302 3.742,306 175.522,313 1.486,314 15.252,316 1,317 1,318 1,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.88,325 48.5,326 243,327 4.369,328 3.681,329 6.498,330 4.005,331 3.006,332 3.943,333 2.443,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.35,340 2.372,341 3.298,342 0.286,343 6.4,344 2.298,345 3.655,346 2.278,347 5.029,348 3.27,349 2.278,350 2.826,352 6.066,353 2.259,354 3.278,355 1.988,356 4.222,357 2.801,358 1.813,359 2.58,361 4.058,362 1.789,363 2.781,364 1.819,365 3.702,366 2.573,367 1.589,368 1.908,370 3.272,371 1.561,372 2.755,373 1.645,374 3.555,375 2.301,376 1.317,377 1.777,379 2.88,380 1.294,381 2.5,382 1.317,383 3.39,384 2.104,385 1.155,386 1.5,388 2.4,389 1.088,390 2.5,391 1.304,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.415,400 1,401 3.247,402 1.956,403 1,404 1.342,406 2.136,407 0.954,408 2.115,409 1,410 3.08,411 1.883,412 0.903,413 1.05,415 1.679,416 0.875,417 1.643,418 0.691,419 2.677,420 1.429,421 0.427,422 0.497,424 0.907,425 0.425,426 0.959,427 0.344,428 2.198,429 0.747,430 -0.248,431 -0.265,433 -0.512,434 -0.244,435 0.719,436 0.02,437 2.159,438 0.394,439 -0.592,440 -0.677,442 -0.949,443 -0.576,444 0.673,445 -0.638,446 1.612,447 0.277,448 -0.705,449 -0.952,451 -1.547,452 -0.688,453 0.503,454 -0.705,455 1.555,456 0.126,457 -0.885,458 -1.178,460 -1.956,461 -0.892,462 11.067,463 0.481,464 0.277,465 0.012,466 28.25,467 1.228,468 15,469 0.652,470 13.25,471 0.576,472 17.681,473 0.769,474 24.933,475 0.542,476 18.83,477 0.819,478 5.61,479 0.244,480 5.699,481 0.248,482 0.075,484 0.181,487 0.692,488 1.214,489 0.885,490 1.142,491 0.581,492 1.051,493 0.809,494 1.101,495 1.019,496 1.091,497 0.605,498 1.078,499 1.118,500 0.871,501 0.945,502 0.866,503 0.979,504 0.887,505 1.089,506 1.023,507 1.061,508 1.025,509 1.303,510 1.041,511 1.077,512 1.081,513 1.121,514 1.067,515 1.314,516 1.098,517 0.792,518 1.052,519 1.055,520 1.044,521 0.76,522 1.07,523 0.61,524 1.014,525 0.994,526 1.028,527 0.611,528 1.045,529 0.559,530 0.952,531 0.854,532 0.974,533 0.586,534 0.946,535 2.5,536 0.074,537 1.778,538 1.125,539 0.462,540 0.25,541 0.199,542 0.135,543 0.164,544 0.131,545 5652,546 14308,547 2.021,548 50,549 6,550 10,552 2,554 2,555 3,558 1.657,559 1.944,560 3.338,561 -0.858,563 1,567 61.603,568 1.339,569 3.155,570 4.308,571 4.822,572 5.029,573 5.029,574 2.67,575 3.654,576 4.49,577 3.528,578 892.645,579 7.735,580 10751.6,582 1,584 1,585 254.084,586 1.068,587 4.48,588 0.104,589 0.005,590 0.061,591 0.039,592 0.017,593 0.009,594 0.008,595 0.007,596 0.01,597 0.008,598 0.266,599 0.5,600 1,601 2.076,602 109.751,603 0.018,604 -0.087,605 0.038,606 -0.046,607 0.004,608 -0.009,609 0.152,610 -0.045,611 -0.058,612 -0.063,613 0.105,614 -0.079,615 -0.093,616 0.106,617 0.036,618 0.126,619 -0.069,620 0.098,621 -0.109,622 -0.023,623 -0.092,624 -0.018,625 -0.114,626 -0.049,627 -0.131,628 -0.078,629 -0.156,630 -0.065,631 -0.175,632 -0.109,633 -0.064,634 -0.059,635 -0.101,636 -0.068,637 -0.049,638 -0.085,639 -0.01,640 -0.046,641 -0.048,642 -0.061,643 -0.026,644 -0.057,645 0.074,646 -0.013,647 0.1,648 -0.015,649 0.046,650 0.04,651 1.771,652 4.337,653 0.522,654 21.516,655 0.989,656 1.119,657 3.387,658 11.469,659 0.658,660 3.219,661 3.401,662 3.584,663 3.761,664 3.892,665 3.784,666 3.85,667 3.85,668 3.784,669 3.664,670 6.333,671 0.614,672 309.44,673 3.219,674 4.673,675 5.46,676 6.271,677 7.081,678 7.906,679 8.727,680 9.56,681 10.388,682 11.225,683 2.2,693 1,699 9,700 1,704 2,706 12,724 46,726 14,727 1,728 24,730 47,731 20,733 11,734 1,735 5,736 2,739 2,740 2,745 1,751 4,753 14,754 6,756 2,761 1,763 1,765 2,769 1,772 23,773 3,775 3,779 1,784 1,785 2,795 1,802 2,819 1,822 1,823 1,832 2,836 1,840 23,846 5,848 1,862 4.3,865 1,867 1,869 11.833,870 8.367,871 5.472,872 3.05,874 2.037,875 1.328,876 0.937,877 7.221,878 8.255,879 3.497,880 3.951,881 4.437,882 4.929,883 5.402,884 5.398,885 5.778,886 5.997,887 6.137,888 6.228,889 0.857,890 29,891 8.484,893 3.346,894 7.659,895 16.449,897 12.686,899 2.159,900 49.667,903 1,904 270.735,905 134.209,906 16.786,908 36.145,911 134.209,912 306.88,913 16.786,914 8.825,915 14.731,916 75.81,917 72.664,918 38.651,920 247.193,922 270.735,923 150.994,924 36.145,927 235.422,928 71.458,931 41.651,932 83.082,933 26.262,935 270.735,936 52.93,937 134.209,940 270.735,941 31.479,942 102.73,944 52.93,945 270.735,946 52.93,947 134.209,949 0.538,950 0.303,951 0.168,952 0.086,953 10,954 4,955 0.191,956 9,958 1,959 3.641,960 161.427,962 12,963 100.042,968 17.113,969 9.706,970 5.803,972 52.93,973 18.013,974 4.217,978 2.301,981 457.874,982 32,987 11.337,989 2.234,991 1.085,994 45.476,995 51.484,996 0.242,997 0.571,998 0.78,999 0.873,1000 0.91,1001 0.91,1002 4.644,1003 1,1004 5.352,1005 2.4,1006 4.078,1007 4.635,1008 2.402,1009 6.028,1010 4.043,1011 5.776,1012 1,1013 6.815,1014 2.136,1015 3.219,1016 3.951,1017 2.243,1018 6.72,1019 3.209,1020 7.015,1021 0.903,1022 8.392,1023 2.136,1024 5.509,1025 6.661,1026 3.841,1027 9.849,1028 5.457,1029 8.296,1030 0.427,1031 10.048,1032 1.679,1033 5.602,1034 6.882,1035 4.269,1036 11.548,1037 5.577,1038 9.616,1039 -0.248,1040 11.759,1041 0.907,1042 7.246,1043 8.982,1044 5.486,1045 14.142,1046 7.19,1047 10.964,1048 -0.592,1049 13.511,1050 -0.512,1051 7.832,1052 9.671,1053 6.158,1054 16.224,1055 7.798,1056 12.335,1057 -0.705,1058 15.292,1059 -0.949,1060 9.171,1061 11.459,1062 7.208,1063 18.645,1064 9.118,1065 3.006,1066 -0.885,1067 17.094,1068 -1.547,1069 10.015,1070 12.419,1071 7.992,1072 20.872,1073 9.978,1074 2.372,1075 10.173,1076 18.912,1077 -1.956,1078 11.213,1079 14.032,1080 8.963,1081 23.232,1082 11.167,1083 2.278,1084 6.4,1085 20.742,1086 3.943,1087 12.188,1088 15.155,1089 9.802,1090 25.514,1091 12.152,1092 1.813,1093 6.066,1094 22.581,1095 3.298,1096 13.325,1097 16.666,1098 10.734,1099 27.851,1100 13.284,1101 1.589,1102 4.058,1103 24.427,1104 2.826,1105 14.364,1106 17.888,1107 11.599,1108 30.155,1109 14.329,1110 1.317,1111 3.272,1112 26.278,1113 2.58,1114 15.476,1115 19.339,1116 12.512,1117 32.482,1118 15.439,1119 1.155,1120 2.88,1121 28.134,1122 1.908,1123 16.547,1124 20.621,1125 13.391,1126 34.795,1127 16.512,1128 5737,1129 9200,1130 16.178,1131 30.29,1132 34.161,1133 34.704,1134 34.62,1135 33.709,1136 33.723,1137 44.441,1138 5.458,1139 84.215,1140 33.086,1141 5.271,1142 5.681,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 4.174,1148 16.907,1149 5.001,1150 9.062,1151 1.423,1152 1.446,1153 1.443,1154 1.405,1155 1.405,1156 1.852,1157 0.227,1158 3.509,1159 1.379,1160 3.997,1161 4.026,1162 3.939,1163 3.942,1164 7.432,1165 3.938,1166 3.789,1167 3.828,1168 3.716,1169 3.705,1170 4.924,1171 3.702,1172 3.742,1173 3.786,1174 3.626,1175 3.593,1176 4.74,1177 3.587,1178 3.542,1179 3.593,1180 3.407,1181 3.35,1182 4.468,1183 3.357,1184 3.359,1185 3.426,1186 3.181,1187 3.211,1188 4.247,1189 3.193,1190 3.107,1191 3.151,1192 2.971,1193 2.945,1194 3.925,1195 2.943,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.795,1201 2.715,1202 2.8,1203 2.868,1204 2.633,1205 2.629,1206 3.674,1207 2.618,1208 0.182,1209 0.153,1210 0.271,1211 0.167,1212 0.125,1213 4.369,1214 0.164,1215 3.681,1216 0.102,1217 6.498,1218 0.424,1219 4.005,1220 0.125,1221 3.006,1222 3.943,1223 2.443,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.083,1229 2.05,1230 1.327,1231 2.062,1232 1.784,1233 1.748,1234 1.96,1235 1.903,1236 1.148,1237 1.92,1238 1.722,1239 1.672,1240 1.904,1241 1.892,1242 0.951,1243 1.899,1244 1.504,1245 1.451,1246 1.804,1247 1.743,1248 0.934,1249 1.763,1250 1.375,1251 1.311,1252 1.631,1253 1.558,1254 0.832,1255 1.586,1256 1.082,1257 1.035,1258 1.317,1259 1.279,1260 0.464,1261 1.289,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.222,1267 1.107,1268 0.783,1269 0.718,1270 1.095,1271 1.037,1272 0.218,1273 1.058,1274 3.892,1276 5.106,1278 6.521,1280 8.029,1282 9.589,1284 1.834,1290 3.7,1292 4.946,1300 28.246,1301 61.603,1302 145.107,1303 198.168,1304 221.819,1305 231.329,1306 231.329,1307 39.559,1308 6.219,1309 39.19,1310 39.19,1311 12,1312 11.795,1313 3.907,1314 3.17,1315 45.303,1316 82,1317 105,1318 0.253,1319 179.198,1320 315.5,1321 429.003,1322 3330,1324 16.33,1325 0.71,1326 0.59,1327 16.33,1328 13.573,1329 11.309,1330 0.471,1331 0.339,1332 8.061,1333 11.012,1334 7.853,1335 6.588,1336 11.309,1337 8.126,1338 8.992,1339 0.31,1340 0.182,1341 8.992,1342 5.276,1343 7.027,1344 0.201,1345 0.101,1346 7.027,1347 3.546,1348 5.668,1349 0.135,1350 0.058,1351 5.668,1352 2.435,1353 4.238,1354 0.088,1355 0.033,1356 4.238,1357 1.584,1358 0.403,1359 69.839,1360 0.249,1361 23.048,1362 0.678,1363 106,1364 299.116,1365 113.255,1366 289.002,1367 389.83,1368 272,1369 117,1370 275.204,1371 122.818,1372 279.146,1373 399.34,1374 264,1375 6.222} {0 CHEMBL98439,1 1.548,2 8.9,3 3.296,4 10.861,5 82.664,6 7.768,7 0.524,8 3.675,9 3.776,10 3.325,11 3.322,12 4.808,13 3.247,14 4.158,15 4.311,16 3.562,17 3.664,18 5.321,19 3.549,20 4.388,21 4.613,22 3.419,23 3.687,24 5.333,25 3.547,26 4.362,27 4.584,28 3.49,29 3.699,30 5.304,31 3.559,32 4.403,33 4.611,34 3.564,35 3.762,36 5.368,37 3.603,38 4.461,39 4.696,40 3.479,41 3.722,42 5.4,43 3.527,44 4.287,45 4.541,46 3.186,47 3.518,48 5.135,49 3.304,50 4.083,51 4.34,52 3.005,53 3.266,54 4.994,55 3.078,56 0.024,57 0.475,58 7.718,59 3.793,60 7.731,61 4.604,62 0.156,63 0.772,64 15.013,65 6.428,66 33.845,67 7.93,68 0.165,69 0.91,70 19.311,71 7.788,72 34.781,73 10.057,74 0.143,75 0.894,76 18.303,77 7.612,78 30.656,79 9.881,80 0.136,81 0.956,82 20.016,83 8.22,84 31.165,85 10.299,86 0.204,87 1.041,88 25.274,89 8.946,90 37.052,91 10.955,92 0.143,93 0.85,94 20.785,95 7.727,96 26.428,97 9.639,98 0.095,99 0.683,100 17.21,101 6.263,102 17.186,103 7.791,104 11,105 26,106 0.281,107 0.638,108 0.815,109 0.887,110 0.907,111 0.907,112 3.056,113 1.081,114 -3.75,115 -3.72,116 -3.53,118 43.2,120 4,133 1,134 1,140 3,141 2,143 2,149 2,154 1,163 1,167 1,168 10,169 1,172 3,175 1,177 1,180 12,181 1,186 3,191 1,194 11,195 1,198 3,203 1,206 11,207 1,210 3,215 1,218 9,219 1,222 3,227 1,229 7,230 1,234 2,239 1,242 4,243 2,247 3,252 2,255 2,256 2,259 2,260 1,264 2,268 2,270 612,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.918,277 5.568,278 8.69,279 13.938,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.922,286 1.893,287 4.171,288 10.818,289 3.662,290 1.696,291 0.723,292 0.324,293 0.216,294 0.216,295 3.718,298 1,299 1,300 1,301 367,302 3.464,305 62.988,306 74.192,313 1.23,314 15.575,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42.5,326 178,327 4.375,328 3.596,329 6.499,330 4.004,331 3.011,332 3.954,333 2.341,334 10.176,335 2.989,336 3.748,337 3.028,338 5.254,339 3.252,340 2.29,341 3.313,343 6.425,344 2.222,345 3.55,346 2.291,347 4.659,348 3.24,349 2.234,350 2.711,352 5.184,353 2.203,354 3.257,355 1.985,356 4.228,357 2.754,358 1.788,359 2.535,361 4.052,362 1.726,363 2.758,364 1.614,365 3.645,366 2.5,367 1.532,368 1.817,370 3.163,371 1.473,372 2.581,373 1.307,374 3.481,375 2.12,376 1.184,377 1.592,379 2.648,380 1.098,381 2.5,382 1.129,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.953,390 2.292,391 1,392 3.191,393 1.849,394 0.912,395 1.16,397 1.996,398 0.834,399 2.118,400 0.678,401 3,402 1.505,403 0.618,404 0.927,406 1.372,407 0.533,408 1.622,409 0.618,410 2.752,411 1.342,412 0.373,413 0.453,415 0.86,416 0.357,417 0.912,418 0.363,419 2.192,420 0.697,421 -0.298,422 -0.324,424 -0.664,425 -0.292,426 0.616,427 -0.004,428 2.073,429 0.168,430 -0.807,431 -1.04,433 -1.788,434 -0.77,435 0.5,436 -0.703,437 1.555,438 0.002,439 -1,440 -1.225,442 -2,443 -0.948,444 0.402,445 -0.898,446 1.53,447 -0.026,448 -1,449 -1.443,451 -2.347,452 -0.974,453 0.142,454 -1,455 1.032,456 -0.158,457 -1.11,458 -1.5,460 -2.584,461 -1.057,462 9.9,463 0.495,464 0.315,465 0.016,466 24.5,467 1.225,468 13,469 0.65,470 11.5,471 0.575,472 15.071,473 0.754,474 21.3,475 0.576,476 15.015,477 0.751,478 4.684,479 0.234,480 5.087,481 0.254,482 0.067,484 0.202,487 0.75,488 1.024,489 0.778,490 0.887,491 0.701,492 0.91,493 0.478,494 1.093,495 1.034,496 1.101,497 0.396,498 1.086,499 0.877,500 0.91,501 0.828,502 0.849,503 0.916,504 0.965,505 0.775,506 0.872,507 0.736,508 0.785,509 0.797,510 0.915,511 0.797,512 1.054,513 0.96,514 0.99,515 0.809,516 1.074,517 0.865,518 1.1,519 1.253,520 1.165,521 0.776,522 1.111,523 0.686,524 1.005,525 1.139,526 1.093,527 0.639,528 1.08,529 0.684,530 1.056,531 1.083,532 1.136,533 0.659,534 1.029,535 2.5,536 0.077,537 1.556,538 0.84,539 0.431,540 0.282,541 0.185,542 0.099,543 0.163,544 0.121,545 3742,546 11940,547 2.024,548 45.9,549 6,550 4,551 2,552 2,553 1,554 2,558 1.619,559 1.935,560 3.107,561 -0.32,562 1,563 1,565 1,567 57.263,568 1.548,569 3.513,570 4.486,571 4.885,572 4.993,573 4.993,574 2.485,575 3.584,576 4.288,577 3.305,578 627.92,579 7.334,580 6717.79,581 1,582 1,583 1,584 1,585 192.75,586 1.157,587 4.273,588 0.119,589 0.009,590 0.06,591 0.037,592 0.018,593 0.012,594 0.009,595 0.007,596 0.013,597 0.009,598 0.291,599 0.67,600 1,601 1.845,602 89.879,603 -0.056,604 0.019,605 0.045,606 0.081,607 -0.049,608 0.044,609 0.181,610 -0.061,611 -0.104,612 -0.098,613 0.224,614 -0.113,615 -0.082,616 0.023,617 -0.033,618 0.032,619 -0.093,620 0.007,621 -0.049,622 0.067,623 0.056,624 0.101,625 -0.069,626 0.062,627 -0.072,628 -0.08,629 -0.051,630 -0.029,631 -0.1,632 -0.092,633 -0.086,634 -0.086,635 -0.133,636 -0.106,637 -0.065,638 -0.114,639 -0.034,640 -0.032,641 -0.081,642 -0.064,643 -0.037,644 -0.066,645 0.051,646 -0.095,647 -0.016,648 -0.111,649 0.038,650 -0.016,651 2.39,652 3.482,653 0.55,654 16.46,655 0.997,656 1.112,657 2.524,658 6.368,659 0.693,660 3.091,661 3.296,662 3.466,663 3.664,664 3.714,665 3.689,666 3.714,667 3.664,668 3.555,669 3.296,670 5.524,671 0.645,672 287.41,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.48,681 10.315,682 11.16,683 2.7,693 1,699 7,700 1,703 1,704 2,706 11,724 37,726 13,728 21,730 38,731 16,733 9,736 2,739 2,740 2,751 4,753 12,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,840 20,845 1,846 4,856 1,862 5.4,864 1,865 1,869 10.333,870 6.4,871 4.639,872 2.253,874 1.882,875 1.316,876 0.933,877 5.783,878 7.838,879 3.384,880 3.866,881 4.345,882 4.861,883 5.161,884 5.317,885 5.619,886 5.778,887 5.88,888 5.88,889 0.833,890 23,891 7.361,893 2.968,894 7.825,895 14.123,897 11.118,899 2.325,900 46.5,901 0.001,904 188.338,905 123.18,906 16.786,908 67.828,910 31.278,911 91.903,912 256.166,913 16.786,915 10.138,916 53.203,917 109.066,918 27.652,919 23.542,920 172.531,922 188.338,923 108.688,924 67.828,925 31.278,927 188.338,928 67.828,931 28.233,932 54.193,933 26.262,934 31.278,935 188.338,936 84.614,937 123.18,940 188.338,941 51.882,942 71.298,944 84.614,945 188.338,946 84.614,947 123.18,949 0.548,950 0.295,951 0.162,952 0.08,953 10,954 4,955 0.184,956 7,958 1,959 3.342,960 134.408,962 11,963 86.439,964 1,968 14.766,969 7.833,970 4.771,972 84.614,973 13.886,974 4.168,977 1.671,978 2.297,980 42.683,981 396.132,982 28.5,987 10.482,989 2.181,991 0.453,994 36.902,995 41.159,996 0.297,997 0.674,998 0.861,999 0.938,1000 0.958,1001 0.958,1002 4.541,1003 0.912,1004 5.252,1005 2.136,1006 3.97,1007 4.549,1008 2.258,1009 5.943,1010 3.91,1011 5.691,1012 0.618,1013 6.725,1014 1.996,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 6.941,1021 0.373,1022 8.312,1023 1.372,1024 5.416,1025 6.595,1026 3.628,1027 9.793,1028 5.334,1029 8.233,1030 -0.298,1031 9.976,1032 0.86,1033 5.602,1034 6.938,1035 4.112,1036 11.523,1037 5.56,1038 9.562,1039 -0.807,1040 11.696,1041 -0.664,1042 7.171,1043 8.927,1044 5.201,1045 14.116,1046 7.082,1047 10.918,1048 -1,1049 13.456,1050 -1.788,1051 7.821,1052 9.735,1053 5.889,1054 16.213,1055 7.759,1056 12.297,1057 -1,1058 15.244,1059 -2,1060 9.118,1061 11.423,1062 6.849,1063 18.636,1064 9.027,1065 3.011,1066 -1.11,1067 17.054,1068 -2.347,1069 10.003,1070 12.48,1071 7.625,1072 20.869,1073 9.926,1074 2.29,1075 10.176,1076 18.879,1077 -2.584,1078 11.183,1079 14.016,1080 8.526,1081 23.23,1082 11.087,1083 2.234,1084 6.425,1085 20.715,1086 3.954,1087 12.182,1088 15.212,1089 9.342,1090 25.515,1091 12.092,1092 1.788,1093 5.184,1094 22.559,1095 3.313,1096 13.312,1097 16.67,1098 10.216,1099 27.853,1100 13.21,1101 1.532,1102 4.052,1103 24.409,1104 2.711,1105 14.366,1106 17.943,1107 11.051,1108 30.158,1109 14.264,1110 1.184,1111 3.163,1112 26.264,1113 2.535,1114 15.478,1115 19.36,1116 11.912,1117 32.485,1118 15.366,1119 1,1120 2.648,1121 28.123,1122 1.817,1123 16.557,1124 20.676,1125 12.755,1126 34.799,1127 16.442,1128 3818,1129 6889,1130 14.099,1131 25.654,1132 30.458,1133 30.378,1134 30.391,1135 29.807,1136 29.886,1137 39.925,1138 4.682,1139 76.024,1140 28.776,1141 5.233,1142 5.596,1143 6.301,1144 5.06,1145 5.011,1146 6.954,1147 3.925,1148 16.925,1149 4.946,1150 8.219,1151 1.45,1152 1.447,1153 1.447,1154 1.419,1155 1.423,1156 1.901,1157 0.223,1158 3.62,1159 1.37,1160 3.984,1161 4.008,1162 4.214,1163 3.977,1164 7.474,1165 3.934,1166 3.753,1167 3.786,1168 3.822,1169 3.723,1170 6.351,1171 3.68,1172 3.721,1173 3.758,1174 3.603,1175 3.587,1176 4.92,1177 3.576,1178 3.442,1179 3.474,1180 3.377,1181 3.289,1182 4.666,1183 3.283,1184 3.105,1185 3.138,1186 3.05,1187 2.938,1188 4.209,1189 2.936,1190 2.808,1191 2.876,1192 2.64,1193 2.623,1194 3.895,1195 2.62,1196 2.737,1197 2.819,1198 2.614,1199 2.5,1200 3.788,1201 2.512,1202 2.529,1203 2.614,1204 2.546,1205 2.369,1206 3.504,1207 2.336,1208 0.208,1209 0.171,1210 0.309,1211 0.191,1212 0.143,1213 4.375,1214 0.188,1215 3.596,1216 0.111,1217 6.499,1218 0.485,1219 4.004,1220 0.142,1221 3.011,1222 3.954,1223 2.341,1224 10.176,1225 2.989,1226 1.91,1227 1.882,1228 2.033,1229 2.005,1230 1.322,1231 2.014,1232 1.719,1233 1.667,1234 1.925,1235 1.886,1236 1.079,1237 1.902,1238 1.544,1239 1.509,1240 1.704,1241 1.681,1242 0.839,1243 1.687,1244 1.345,1245 1.331,1246 1.551,1247 1.518,1248 0.703,1249 1.527,1250 1.277,1251 1.258,1252 1.3,1253 1.316,1254 0.554,1255 1.403,1256 0.967,1257 0.927,1258 1.162,1259 1.183,1260 0.34,1261 1.204,1262 0.79,1263 0.729,1264 1.086,1265 1.014,1266 0.181,1267 1.046,1268 0.676,1269 0.595,1270 0.967,1271 0.949,1273 0.964,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.898,1281 6.293,1282 9.453,1289 8.628,1290 2.734,1300 23.853,1301 57.263,1302 129.995,1303 165.995,1304 180.75,1305 184.75,1306 184.75,1307 33.165,1308 5.956,1309 50.19,1310 78.43,1311 11,1312 11.724,1313 3.807,1314 3.087,1315 36.377,1316 61,1317 72,1318 0.274,1319 154.887,1320 267.45,1321 369.684,1322 2272,1324 14.209,1325 0.71,1326 0.599,1327 14.562,1328 11.975,1329 9.771,1330 0.465,1331 0.36,1332 6.657,1333 9.048,1334 6.421,1335 5.361,1336 10.271,1337 7.564,1338 8.138,1339 0.313,1340 0.204,1341 8.636,1342 5.291,1343 6.08,1344 0.196,1345 0.119,1346 6.594,1347 3.681,1348 4.914,1349 0.129,1350 0.07,1351 5.499,1352 2.665,1353 3.422,1354 0.086,1355 0.039,1356 3.766,1357 1.544,1358 0.429,1359 65.28,1360 0.266,1361 20.241,1362 0.752,1363 94,1364 280.391,1365 118.758,1366 294.734,1367 387.83,1368 274,1369 104,1370 253.836,1371 123.189,1372 272.34,1373 385.87,1374 255,1375 7.509} {0 CHEMBL98443,1 1.483,2 9.13,3 4.106,4 16.862,5 96.2,6 7.443,7 0.5,8 3.833,9 3.941,10 3.438,11 3.473,12 4.949,13 3.394,14 4.325,15 4.483,16 3.69,17 3.83,18 5.436,19 3.704,20 4.567,21 4.773,22 3.792,23 3.93,24 5.54,25 3.796,26 4.615,27 4.831,28 3.652,29 3.928,30 5.588,31 3.782,32 4.681,33 4.9,34 3.629,35 3.945,36 5.675,37 3.797,38 4.697,39 4.951,40 3.537,41 3.913,42 5.596,43 3.739,44 4.604,45 4.877,46 3.435,47 3.798,48 5.428,49 3.603,50 4.418,51 4.684,52 3.51,53 3.673,54 5.286,55 3.484,56 0.034,57 0.56,58 9.576,59 4.552,60 8.5,61 5.705,62 0.184,63 0.923,64 19.773,65 8.045,66 37.389,67 9.851,68 0.196,69 1.118,70 25.484,71 9.819,72 29.528,73 12.369,74 0.17,75 1.156,76 25.396,77 10.163,78 34.139,79 12.987,80 0.264,81 1.212,82 26.661,83 10.358,84 52.778,85 13.218,86 0.205,87 1.254,88 26.623,89 10.433,90 42.5,91 14.078,92 0.172,93 1.141,94 24.597,95 9.687,96 33.834,97 13.169,98 0.124,99 0.957,100 21.779,101 8.529,102 22.223,103 11.042,104 19,105 30,106 0.259,107 0.588,108 0.771,109 0.857,110 0.879,111 0.879,112 3.187,113 1.116,114 -4.39,115 -4.32,116 -4.08,118 43.2,120 3,123 1,126 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 14,172 2,175 1,180 17,181 2,186 4,191 2,194 17,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 15,219 1,222 4,227 1,229 11,230 1,234 3,239 1,242 7,243 2,247 2,252 2,255 4,256 3,259 4,260 1,264 3,267 3,268 3,270 850,271 15.734,272 15.734,273 15.734,274 15.734,275 15.734,276 13.891,277 5.834,278 9.785,279 16.082,280 11.793,281 11.793,282 11.793,283 11.793,284 11.793,285 9.169,286 2.013,287 4.537,288 12.185,289 3.976,290 2.093,291 1.044,292 0.551,293 0.426,294 0.426,295 3.853,299 1,300 1,301 429,302 3.873,306 174.96,313 1.267,314 17.599,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 210,327 4.369,328 4.48,329 6.498,330 4.005,331 3.006,332 3.943,333 3.412,334 10.173,335 3.001,336 3.874,337 3.437,338 5.897,339 3.652,340 2.707,341 3.298,342 2.114,343 8.041,344 2.537,345 3.736,346 3.024,347 5.247,348 3.27,349 2.278,350 3.025,352 6.4,353 2.259,354 3.278,355 2.361,356 4.223,357 2.792,358 1.802,359 2.58,361 4.056,362 1.782,363 2.788,364 2.278,365 3.864,366 2.556,367 1.564,368 1.908,370 3.328,371 1.546,372 2.781,373 1.951,374 3.555,375 2.301,376 1.317,377 1.796,379 2.88,380 1.294,381 2.586,382 1.594,383 3.537,384 2.179,385 1.244,386 1.519,388 2.689,389 1.138,390 2.5,391 1.317,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1.004,401 3.247,402 1.956,403 1,404 1.5,406 2.136,407 0.954,408 2.143,409 1,410 3.23,411 1.773,412 0.84,413 1.036,415 1.851,416 0.765,417 1.425,418 1,419 2.747,420 1.245,421 0.333,422 0.362,424 0.621,425 0.297,426 0.968,427 0.575,428 2.198,429 0.728,430 -0.192,431 -0.204,433 -0.342,434 -0.172,435 0.719,436 0.399,437 2.176,438 0.278,439 -0.705,440 -0.944,442 -1.547,443 -0.687,444 0.609,445 -0.171,446 1.772,447 0.175,448 -0.796,449 -0.952,451 -1.73,452 -0.751,453 0.5,454 -0.705,455 1.555,457 -1,458 -1.338,460 -2,461 -0.966,462 11.4,463 0.496,464 0.366,465 0.016,466 28,467 1.217,468 15,469 0.652,470 13,471 0.565,472 19.43,473 0.845,474 24.6,475 0.559,476 18.213,477 0.792,478 5.078,479 0.221,480 6.141,481 0.267,482 0.102,484 0.219,487 0.75,488 1.044,489 0.809,490 0.922,491 0.72,492 0.945,493 0.508,494 1.127,495 1.256,496 1.232,497 0.433,498 1.102,499 0.754,500 1.033,501 0.948,502 1.072,503 0.84,504 1.004,505 0.897,506 1.053,507 1.023,508 1.058,509 0.894,510 1.063,511 1.285,512 0.995,513 1.024,514 0.948,515 1.337,516 1.05,517 0.777,518 0.984,519 0.853,520 0.902,521 0.722,522 1.022,523 0.611,524 0.919,525 0.763,526 0.841,527 0.589,528 0.967,529 0.589,530 0.844,531 0.758,532 0.824,533 0.573,534 0.841,535 3,536 0.116,537 2.222,538 1.375,539 0.542,540 0.25,541 0.199,542 0.26,543 0.263,544 0.169,545 5348,546 15668,547 1.995,548 47.7,549 4,550 12,552 2,553 1,555 2,558 1.66,559 1.89,560 3.179,561 -0.369,563 1,567 65.266,568 1.483,569 3.366,570 4.416,571 4.908,572 5.033,573 5.033,574 2.459,575 3.567,576 4.495,577 3.38,578 855.193,579 7.754,580 10250.8,582 1,584 1,585 240.215,586 1.264,587 4.465,588 0.125,589 0.007,590 0.074,591 0.044,592 0.019,593 0.009,594 0.008,595 0.012,596 0.013,597 0.008,598 0.319,599 0.33,600 1,601 1.87,602 108.669,603 -0.046,604 0.016,605 0.046,606 0.07,607 -0.054,608 0.037,609 0.17,610 -0.059,611 -0.149,612 -0.12,613 0.195,614 -0.094,615 0.04,616 -0.044,617 0.035,618 -0.062,619 -0.028,620 -0.009,621 -0.06,622 -0.086,623 -0.108,624 -0.095,625 -0.044,626 -0.079,627 -0.189,628 -0.04,629 -0.157,630 -0.035,631 -0.204,632 -0.093,633 -0.057,634 -0.028,635 -0.048,636 -0.027,637 -0.041,638 -0.053,639 0.002,640 0.028,641 0.059,642 0.044,643 -0.026,644 0.015,645 0.08,646 0.124,647 0.238,648 0.168,649 0.054,650 0.163,651 2.392,652 4.057,653 0.522,654 19.52,655 0.992,656 1.113,657 3.159,658 9.98,659 0.686,660 3.219,661 3.434,662 3.638,663 3.784,664 3.892,665 3.784,666 3.871,667 3.932,668 3.892,669 3.714,670 5.954,671 0.634,672 327.48,673 3.219,674 4.691,675 5.493,676 6.315,677 7.136,678 7.967,679 8.796,680 9.631,681 10.465,682 11.303,683 2.3,693 1,699 9,700 1,704 2,706 12,724 44,726 14,727 1,728 24,730 45,731 19,733 11,734 1,735 5,736 2,739 2,740 2,751 4,753 14,754 5,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,833 1,834 1,836 1,840 23,845 1,846 3,849 1,850 1,862 4.5,864 1,865 1,869 12.167,870 7.9,871 5.417,872 2.572,874 2.037,875 1.328,876 0.918,877 7.051,878 8.255,879 3.497,880 3.97,881 4.46,882 4.936,883 5.402,884 5.402,885 5.79,886 6.028,887 6.187,888 6.284,889 0.833,890 31,891 8.488,893 3.424,894 7.775,895 16.294,897 12.815,899 2.275,900 52.333,903 1,904 235.422,905 151.385,906 16.786,908 67.828,910 32.22,911 119.165,912 303.25,913 16.786,914 7.19,915 7.604,916 75.81,917 109.066,918 27.652,920 244.099,922 235.422,923 135.951,924 67.828,925 32.22,927 211.88,928 91.37,931 25.698,932 83.991,933 26.262,934 32.22,935 235.422,936 84.614,937 151.385,940 235.422,941 50.29,942 101.095,944 84.614,945 235.422,946 84.614,947 151.385,949 0.551,950 0.322,951 0.17,952 0.082,953 11,954 5,955 0.178,956 8,958 1,959 3.545,960 165.196,962 12,963 100.042,964 1,968 17.458,969 9.289,970 5.347,972 84.614,973 17.82,974 4.202,978 2.235,980 42.683,981 471.421,982 32,987 11.057,989 2.186,991 0.423,994 43.669,995 48.989,996 0.272,997 0.617,998 0.809,999 0.899,1000 0.922,1001 0.922,1002 4.663,1003 1,1004 5.416,1005 2.689,1006 4.111,1007 4.654,1008 3.433,1009 6.133,1010 4.059,1011 5.813,1012 1,1013 6.917,1014 2.136,1015 3.434,1016 4.06,1017 2.243,1018 6.94,1019 3.366,1020 7.066,1021 0.84,1022 8.531,1023 2.136,1024 5.595,1025 6.689,1026 5.652,1027 10.017,1028 5.509,1029 8.359,1030 0.333,1031 10.218,1032 1.851,1033 5.832,1034 6.961,1035 4.491,1036 11.741,1037 5.723,1038 9.688,1039 -0.192,1040 11.954,1041 0.621,1042 7.387,1043 9.014,1044 8.019,1045 14.302,1046 7.274,1047 11.043,1048 -0.705,1049 13.722,1050 -0.342,1051 8.06,1052 9.727,1053 6.946,1054 16.371,1055 7.929,1056 12.419,1057 -0.796,1058 15.512,1059 -1.547,1060 9.348,1061 11.49,1062 10.428,1063 18.767,1064 9.215,1065 3.006,1066 -1,1067 17.319,1068 -1.73,1069 10.233,1070 12.458,1071 9.511,1072 20.975,1073 10.091,1074 2.707,1075 10.173,1076 19.136,1077 -2,1078 11.402,1079 14.057,1080 12.853,1081 23.316,1082 11.26,1083 2.278,1084 8.041,1085 20.961,1086 3.943,1087 12.39,1088 15.182,1089 12.101,1090 25.583,1091 12.246,1092 1.802,1093 6.4,1094 22.793,1095 3.298,1096 13.508,1097 16.685,1098 15.283,1099 27.906,1100 13.365,1101 1.564,1102 4.056,1103 24.63,1104 3.025,1105 14.546,1106 17.906,1107 14.686,1108 30.2,1109 14.404,1110 1.317,1111 3.328,1112 26.471,1113 2.58,1114 15.643,1115 19.352,1116 17.715,1117 32.518,1118 15.505,1119 1.244,1120 2.88,1121 28.316,1122 1.908,1123 16.706,1124 20.632,1125 17.255,1126 34.824,1127 16.571,1128 5453,1129 9404,1130 15.89,1131 30.176,1132 34.626,1133 37.523,1134 35.583,1135 34.192,1136 34.185,1137 44.933,1138 11.052,1139 88.62,1140 33.144,1141 5.244,1142 6.48,1143 6.3,1144 5.04,1145 5.006,1146 6.943,1147 6.739,1148 16.907,1149 5.001,1150 10.801,1151 1.443,1152 1.563,1153 1.483,1154 1.425,1155 1.424,1156 1.872,1157 0.46,1158 3.693,1159 1.381,1160 3.997,1161 4.025,1162 3.956,1163 3.943,1164 7.474,1165 3.938,1166 3.788,1167 3.828,1168 3.895,1169 3.707,1170 6.351,1171 3.703,1172 3.738,1173 3.776,1174 3.716,1175 3.655,1176 4.924,1177 3.614,1178 3.478,1179 3.51,1180 3.429,1181 3.38,1182 4.74,1183 3.346,1184 3.154,1185 3.224,1186 3.203,1187 3.058,1188 4.253,1189 3.011,1190 3.128,1191 3.165,1192 3.035,1193 2.888,1194 4.014,1195 2.877,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.818,1201 2.715,1202 2.809,1203 2.88,1204 2.632,1205 2.631,1206 3.761,1207 2.621,1208 0.182,1209 0.187,1210 0.271,1211 0.167,1212 0.125,1213 4.369,1214 0.164,1215 4.48,1216 0.142,1217 6.498,1218 0.424,1219 4.005,1220 0.125,1221 3.006,1222 3.943,1223 3.412,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.081,1229 2.049,1230 1.328,1231 2.061,1232 1.784,1233 1.749,1234 1.937,1235 1.894,1236 1.149,1237 1.908,1238 1.721,1239 1.681,1240 1.896,1241 1.867,1242 0.945,1243 1.89,1244 1.445,1245 1.412,1246 1.609,1247 1.612,1248 0.856,1249 1.631,1250 1.174,1251 1.11,1252 1.492,1253 1.375,1254 0.616,1255 1.437,1256 1.048,1257 1.001,1258 1.282,1259 1.319,1260 0.421,1261 1.303,1262 0.886,1263 0.821,1264 1.181,1265 1.062,1266 0.218,1267 1.107,1268 0.791,1269 0.728,1270 1.086,1271 1.048,1272 0.18,1273 1.073,1274 3.892,1276 5.13,1278 6.572,1280 8.103,1282 9.678,1284 1.847,1289 9.093,1290 2.389,1293 1.399,1294 -0.318,1300 27.906,1301 65.266,1302 148.125,1303 194.299,1304 215.95,1305 221.46,1306 221.46,1307 46.156,1308 6.219,1309 50.19,1310 75.49,1311 12,1312 11.871,1313 3.907,1314 3.17,1315 45.139,1316 78,1317 75,1318 0.268,1319 180.737,1320 316.71,1321 432.757,1322 3222,1324 16.493,1325 0.717,1326 0.609,1327 16.847,1328 14,1329 11.22,1330 0.467,1331 0.372,1332 7.703,1333 10.507,1334 7.352,1335 6.161,1336 11.777,1337 8.925,1338 9.157,1339 0.305,1340 0.209,1341 9.623,1342 6.259,1343 7.34,1344 0.198,1345 0.125,1346 7.94,1347 4.643,1348 5.776,1349 0.134,1350 0.071,1351 6.186,1352 3.038,1353 4.19,1354 0.087,1355 0.038,1356 4.313,1357 1.814,1358 0.421,1359 74.549,1360 0.251,1361 22.762,1362 0.736,1363 108,1364 304.391,1365 132.758,1366 319.626,1367 421.59,1368 298,1369 121,1370 278.151,1371 141.963,1372 295.693,1373 422.06,1374 276,1375 7.523} {0 CHEMBL98444,1 1.462,2 10.538,3 5.082,4 25.824,5 107.211,6 7.734,7 0.607,8 3.916,9 4.016,10 3.559,11 3.59,12 5.045,13 3.52,14 4.401,15 4.542,16 3.861,17 3.965,18 5.53,19 3.855,20 4.67,21 4.878,22 3.828,23 4.046,24 5.617,25 3.91,26 4.706,27 4.907,28 3.901,29 4.065,30 5.737,31 3.934,32 4.793,33 4.991,34 3.919,35 4.104,36 5.858,37 3.961,38 4.813,39 5.047,40 3.714,41 4.031,42 5.806,43 3.856,44 4.665,45 4.933,46 3.432,47 3.852,48 5.498,49 3.655,50 4.43,51 4.684,52 3.501,53 3.712,54 5.312,55 3.556,56 0.034,57 0.574,58 9.465,59 4.647,60 8.808,61 5.772,62 0.165,63 0.954,64 17.483,65 7.918,66 37.1,67 9.956,68 0.152,69 1.227,70 25.572,71 10.727,72 30.48,73 13.652,74 0.168,75 1.259,76 26.066,77 10.936,78 38.679,79 13.701,80 0.262,81 1.394,82 31.705,83 12.171,84 53.709,85 14.557,86 0.276,87 1.424,88 31.951,89 12.312,90 58.636,91 15.275,92 0.222,93 1.241,94 28.595,95 10.949,96 41.533,97 14.151,98 0.116,99 0.973,100 21.325,101 8.619,102 21.616,103 11.271,104 6,105 36,106 0.248,107 0.58,108 0.772,109 0.882,110 0.892,111 0.892,112 3.304,113 1.024,114 -4.91,115 -4.81,116 -4.52,118 46.8,120 3,121 1,133 1,134 1,140 9,141 2,143 2,149 1,150 1,154 1,163 1,167 1,168 16,169 1,172 3,175 1,177 1,180 20,181 2,186 4,191 2,194 19,195 3,198 4,203 3,206 17,207 3,210 6,215 3,218 16,219 2,222 4,227 2,229 13,230 1,234 2,239 1,242 11,243 1,247 2,252 1,255 10,256 3,259 4,260 1,264 3,267 11,268 2,270 994,271 17.933,272 17.933,273 17.933,274 17.933,275 17.933,276 15.492,277 8.8,278 11.16,279 18.205,280 13.86,281 13.86,282 13.86,283 13.86,284 13.86,285 10.399,286 7.647,287 5.286,288 14.284,289 4.092,290 2.134,291 1.006,292 0.356,293 0.298,294 0.298,295 3.987,299 1,300 1,301 584,302 3.808,305 85.356,306 203.438,313 1.337,314 19.694,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 54.5,326 274,327 4.375,328 3.802,329 6.499,330 3.984,331 3.012,332 3.954,333 2.397,334 10.176,335 2.949,336 4.179,337 3.028,338 6.401,339 3.95,340 2.949,341 3.611,342 0.242,343 9.732,344 2.925,345 3.748,346 2.765,347 5.254,348 3.227,349 2.29,350 3.313,352 6.425,353 2.133,354 3.525,355 2.291,356 4.93,357 3.098,358 2.096,359 2.817,361 5.41,362 2.09,363 3.257,364 1.987,365 4.23,366 2.76,367 1.789,368 2.536,370 4.059,371 1.731,372 2.895,373 1.773,374 3.832,375 2.525,376 1.542,377 2.009,379 3.298,380 1.505,381 2.749,382 1.538,383 3.609,384 2.397,385 1.399,386 1.813,388 2.994,389 1.391,390 2.576,391 1.205,392 3.494,393 2.149,394 1.18,395 1.589,397 2.661,398 1.137,399 2.5,400 1.106,401 3.315,402 2,403 1,404 1.5,406 2.136,407 1,408 2.5,409 1,410 3.247,411 1.956,412 1,413 1.5,415 2.136,416 0.953,417 2.315,418 1,419 3.247,420 1.905,421 0.924,422 1.19,424 2.133,425 0.896,426 2.118,427 0.717,428 3,429 1.476,430 0.618,431 0.927,433 1.372,434 0.508,435 1.82,436 0.618,437 3,438 1.444,439 0.476,440 0.612,442 1.176,443 0.459,444 1.094,445 0.397,446 2.574,447 0.907,448 -0.083,449 -0.094,451 -0.195,452 -0.081,453 0.719,454 0.141,455 2.121,456 0.307,457 -0.681,458 -0.844,460 -1.53,461 -0.669,462 12.9,463 0.496,464 0.418,465 0.016,466 34,467 1.308,468 19,469 0.731,470 15,471 0.577,472 20.749,473 0.798,474 26.7,475 0.568,476 23.249,477 0.894,478 6.629,479 0.255,480 6.125,481 0.236,482 0.052,484 0.233,487 0.737,488 0.959,489 0.773,490 0.857,491 0.705,492 0.872,493 0.477,494 1.052,495 0.974,496 1.039,497 0.443,498 1.059,499 0.799,500 0.982,501 0.938,502 0.978,503 0.834,504 0.991,505 1.015,506 1.008,507 0.918,508 0.974,509 1.024,510 1.004,511 1.344,512 1.123,513 1.229,514 1.162,515 1.37,516 1.107,517 1.236,518 1.06,519 1.135,520 1.058,521 1.206,522 1.1,523 0.828,524 0.895,525 1.018,526 0.948,527 0.802,528 0.979,529 0.585,530 0.844,531 0.763,532 0.841,533 0.592,534 0.835,535 3,536 0.097,537 2.444,538 1.528,539 0.782,540 0.434,541 0.243,542 0.205,543 0.331,544 0.199,545 8225,546 22560,547 2.082,548 44.7,549 6,550 10,551 1,552 2,553 1,554 1,558 1.692,559 2,560 3.329,561 -0.408,567 68.72,568 1.462,569 3.421,570 4.549,571 5.198,572 5.257,573 5.257,574 2.565,575 3.854,576 4.678,577 3.514,578 1141.93,579 8.107,580 14989.9,582 1,585 261.066,586 1.14,587 4.655,588 0.107,589 0.003,590 0.068,591 0.044,592 0.022,593 0.012,594 0.009,595 0.009,596 0.014,597 0.007,598 0.295,599 0.33,600 1,601 0.646,602 128.484,603 -0.046,604 0.037,605 0.047,606 0.08,607 -0.051,608 0.051,609 0.174,610 -0.048,611 -0.059,612 -0.062,613 0.175,614 -0.108,615 -0.026,616 -0.021,617 -0.018,618 -0.015,619 -0.04,620 -0.006,621 -0.04,622 -0.05,623 0.006,624 -0.018,625 -0.022,626 -0.033,627 -0.127,628 -0.14,629 -0.151,630 -0.133,631 -0.123,632 -0.136,633 -0.139,634 -0.084,635 -0.142,636 -0.086,637 -0.109,638 -0.121,639 -0.055,640 0.075,641 -0.034,642 0.029,643 -0.061,644 0.037,645 0.088,646 0.118,647 0.191,648 0.132,649 0.058,650 0.183,651 2.425,652 4.614,653 0.654,654 20.982,655 0.993,656 1.106,657 3.679,658 13.534,659 0.706,660 3.367,661 3.611,662 3.85,663 4.06,664 4.127,665 4.043,666 4.078,667 4.078,668 4.043,669 4.007,670 6.507,671 0.658,672 363.51,673 3.367,674 4.86,675 5.68,676 6.521,677 7.358,678 8.205,679 9.047,680 9.896,681 10.74,682 11.59,683 2.1,693 1,699 12,700 1,703 1,704 3,706 17,724 47,726 19,727 1,728 28,730 49,731 22,733 15,734 1,735 5,736 2,739 3,740 3,751 3,753 18,754 4,755 1,756 2,761 1,763 1,765 2,772 21,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 2,818 1,822 1,823 1,830 1,832 3,834 1,840 26,845 1,846 3,850 1,856 1,862 4.3,864 1,865 1,869 13,870 8.15,871 5.944,872 2.836,874 2.435,875 1.368,876 0.958,877 6.594,878 9.043,879 3.676,880 4.193,881 4.717,882 5.238,883 5.582,884 5.619,885 5.907,886 6.072,887 6.15,888 6.32,889 0.857,890 35,891 9.615,893 4,894 7.731,895 18.483,897 14.966,899 2.231,900 58,903 1,904 235.422,905 171.213,906 16.786,908 67.828,910 31.278,911 139.935,912 303.25,913 16.786,915 7.604,916 102.412,917 109.066,918 27.652,919 13.13,920 231.386,922 235.422,923 156.721,924 67.828,925 31.278,927 235.422,928 67.828,931 25.698,932 104.76,933 26.262,934 31.278,935 235.422,936 84.614,937 171.213,940 235.422,941 50.706,942 120.506,944 84.614,945 235.422,946 84.614,947 171.213,949 0.558,950 0.326,951 0.184,952 0.091,953 15,954 6,955 0.163,956 8,958 1,959 3.889,960 204.511,962 17,963 118.211,964 1,968 18.378,969 9.329,970 5.048,972 84.614,973 23.32,974 4.221,977 1.702,978 3.165,980 42.683,981 491.249,982 38.5,987 11.614,989 2.201,991 0.408,994 46.669,995 51.989,996 0.263,997 0.616,998 0.819,999 0.936,1000 0.946,1001 0.946,1002 4.854,1003 1.18,1004 5.609,1005 2.994,1006 4.29,1007 4.879,1008 2.35,1009 6.354,1010 4.239,1011 6.017,1012 1,1013 7.12,1014 2.661,1015 3.611,1016 4.27,1017 2.243,1018 7.186,1019 3.554,1020 7.279,1021 1,1022 8.746,1023 2.136,1024 5.796,1025 6.948,1026 3.742,1027 10.303,1028 5.71,1029 8.581,1030 0.924,1031 10.446,1032 2.136,1033 6.066,1034 7.255,1035 4.213,1036 12.065,1037 5.968,1038 9.919,1039 0.618,1040 12.197,1041 2.133,1042 7.618,1043 9.285,1044 5.351,1045 14.65,1046 7.506,1047 11.283,1048 0.476,1049 13.981,1050 1.372,1051 8.33,1052 10.041,1053 6.05,1054 16.745,1055 8.203,1056 12.667,1057 -0.083,1058 15.788,1059 1.176,1060 9.617,1061 11.765,1062 7.042,1063 19.154,1064 9.48,1065 3.012,1066 -0.681,1067 17.61,1068 -0.195,1069 10.536,1070 12.767,1071 7.838,1072 21.375,1073 10.385,1074 2.949,1075 10.176,1076 19.444,1077 -1.53,1078 11.711,1079 14.33,1080 8.766,1081 23.721,1082 11.548,1083 2.29,1084 9.732,1085 21.285,1086 3.954,1087 12.725,1088 15.474,1089 9.604,1090 25.99,1091 12.548,1092 2.096,1093 6.425,1094 23.131,1095 3.611,1096 13.852,1097 16.947,1098 10.503,1099 28.312,1100 13.662,1101 1.789,1102 5.41,1103 24.982,1104 3.313,1105 14.909,1106 18.178,1107 11.361,1108 30.602,1109 14.705,1110 1.542,1111 4.059,1112 26.836,1113 2.817,1114 16.016,1115 19.601,1116 12.247,1117 32.914,1118 15.798,1119 1.399,1120 3.298,1121 28.693,1122 2.536,1123 17.093,1124 20.883,1125 13.113,1126 35.212,1127 16.86,1128 7952,1129 13273,1130 19.068,1131 33.176,1132 41.362,1133 41.153,1134 41.267,1135 40.484,1136 40.549,1137 54.742,1138 5.279,1139 107.413,1140 39.358,1141 5.258,1142 5.802,1143 6.301,1144 5.047,1145 5.012,1146 6.954,1147 4.03,1148 16.925,1149 4.949,1150 9.236,1151 1.477,1152 1.47,1153 1.474,1154 1.446,1155 1.448,1156 1.955,1157 0.189,1158 3.836,1159 1.406,1160 3.997,1161 4.022,1162 4.234,1163 3.988,1164 7.474,1165 3.942,1166 3.926,1167 3.95,1168 3.881,1169 3.878,1170 6.351,1171 3.865,1172 3.755,1173 3.782,1174 3.794,1175 3.715,1176 4.919,1177 3.682,1178 3.646,1179 3.695,1180 3.53,1181 3.536,1182 4.744,1183 3.522,1184 3.424,1185 3.449,1186 3.345,1187 3.272,1188 4.668,1189 3.275,1190 3.116,1191 3.152,1192 3.005,1193 2.945,1194 4.218,1195 2.948,1196 2.854,1197 2.925,1198 2.72,1199 2.735,1200 3.908,1201 2.715,1202 2.849,1203 2.893,1204 2.687,1205 2.624,1206 3.794,1207 2.65,1208 0.156,1209 0.136,1210 0.232,1211 0.142,1212 0.108,1213 4.375,1214 0.141,1215 3.802,1216 0.086,1217 6.499,1218 0.363,1219 3.984,1220 0.105,1221 3.012,1222 3.954,1223 2.397,1224 10.176,1225 2.949,1226 1.943,1227 1.916,1228 2.075,1229 2.033,1230 1.357,1231 2.048,1232 1.893,1233 1.868,1234 1.995,1235 1.984,1236 1.137,1237 1.991,1238 1.671,1239 1.622,1240 1.877,1241 1.815,1242 1.007,1243 1.84,1244 1.508,1245 1.475,1246 1.673,1247 1.634,1248 0.788,1249 1.644,1250 1.412,1251 1.389,1252 1.572,1253 1.546,1254 0.689,1255 1.563,1256 1.242,1257 1.228,1258 1.332,1259 1.369,1260 0.586,1261 1.4,1262 0.939,1263 0.907,1264 1.181,1265 1.13,1266 0.322,1267 1.163,1268 0.886,1269 0.821,1270 1.111,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.303,1277 2.398,1278 6.758,1279 4.443,1280 8.302,1281 6.293,1282 9.894,1289 9.541,1290 2.278,1294 -0.451,1300 30.906,1301 68.72,1302 160.779,1303 213.781,1304 244.311,1305 247.066,1306 247.066,1307 47.222,1308 6.608,1309 50.19,1310 78.43,1311 17,1312 12.149,1313 4.322,1314 3.524,1315 44.304,1316 104,1317 86,1318 0.206,1319 196.266,1320 340.07,1321 470.648,1322 5641,1324 18.192,1325 0.7,1326 0.586,1327 18.546,1328 15.232,1329 12.754,1330 0.456,1331 0.341,1332 8.707,1333 12.047,1334 8.432,1335 7.024,1336 13.208,1337 9.556,1338 10.697,1339 0.297,1340 0.195,1341 11.28,1342 7.017,1343 8.697,1344 0.189,1345 0.113,1346 9.363,1347 5.208,1348 7.24,1349 0.127,1350 0.066,1351 7.922,1352 3.79,1353 5.215,1354 0.085,1355 0.037,1356 5.593,1357 2.28,1358 0.327,1359 82.72,1360 0.229,1361 25.332,1362 0.556,1363 128,1364 346.391,1365 156.098,1366 363.965,1367 490.28,1368 340,1369 146,1370 333.179,1371 169.194,1372 356.421,1373 512.36,1374 336,1375 7.495} {0 CHEMBL98477,1 1.489,2 9,3 4.466,4 19.949,5 91.617,6 7.337,7 0.478,8 3.811,9 3.921,10 3.406,11 3.442,12 4.911,13 3.36,14 4.321,15 4.491,16 3.737,17 3.826,18 5.41,19 3.708,20 4.587,21 4.789,22 3.709,23 3.927,24 5.592,25 3.781,26 4.757,27 5.001,28 3.658,29 3.929,30 5.749,31 3.761,32 4.626,33 4.865,34 3.656,35 3.913,36 5.502,37 3.727,38 4.607,39 4.858,40 3.493,41 3.831,42 5.507,43 3.636,44 4.453,45 4.719,46 3.29,47 3.665,48 5.272,49 3.473,50 4.276,51 4.51,52 3.451,53 3.601,54 5.206,55 3.442,56 0.035,57 0.558,58 9.65,59 4.54,60 8.639,61 5.712,62 0.18,63 0.914,64 18.128,65 7.723,66 39.736,67 9.846,68 0.11,69 1.137,70 23.983,71 9.934,72 26.653,73 12.757,74 0.389,75 1.253,76 30.738,77 11.124,78 73.507,79 13.855,80 0.2,81 1.195,82 28.799,83 10.678,84 34.972,85 13.557,86 0.198,87 1.154,88 26.898,89 10.076,90 39.771,91 13.004,92 0.168,93 0.981,94 23.22,95 8.648,96 28.215,97 11.318,98 0.09,99 0.83,100 17.851,101 7.276,102 15.582,103 9.433,104 23,105 31,106 0.262,107 0.623,108 0.801,109 0.858,110 0.858,111 0.858,112 3.146,113 1.078,114 -4.23,115 -4.17,116 -3.94,118 41.9,119 2,120 3,122 1,133 1,134 1,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 11,169 1,172 3,175 1,177 1,180 14,181 3,186 5,191 3,194 13,195 1,198 2,203 1,206 13,207 1,210 4,215 1,218 12,219 1,222 3,227 1,229 9,230 1,234 2,239 1,242 7,243 1,247 2,252 1,255 8,256 3,259 5,260 1,264 3,267 4,268 2,270 714,271 14.474,272 14.474,273 14.474,274 14.474,275 14.474,276 12.774,277 7.993,278 8.726,279 14.746,280 11.327,281 11.327,282 11.327,283 11.327,284 11.327,285 8.89,286 7.648,287 4.084,288 11.751,289 3.937,290 1.884,291 0.872,292 0.547,293 0.547,294 0.547,295 3.802,299 1,300 1,301 405,302 4.123,305 71.497,306 84.132,313 1.182,314 17.876,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 198,327 4.407,328 3.979,329 7.206,330 4.332,331 3.331,332 3.954,333 2.341,334 11.924,335 3.327,336 4.374,337 3.028,338 6.499,339 3.982,340 3.011,341 3.522,343 10.176,344 2.928,345 3.748,346 2.577,347 5.254,348 3.227,349 2.29,350 3.313,352 6.425,353 2.132,354 3.257,355 2.291,356 4.408,357 2.761,358 1.789,359 2.536,361 4.066,362 1.731,363 2.869,364 1.938,365 4.218,366 2.537,367 1.551,368 1.863,370 3.496,371 1.513,372 2.717,373 1.539,374 3.582,375 2.316,376 1.318,377 1.75,379 2.906,380 1.298,381 2.5,382 1.164,383 3.461,384 2.117,385 1.151,386 1.5,388 2.564,389 1.102,390 2.498,391 1,392 3.247,393 1.956,394 1,395 1.478,397 2.136,398 0.953,399 2.118,400 0.819,401 3.163,402 1.687,403 0.714,404 0.938,406 1.686,407 0.687,408 2.112,409 0.618,410 3,411 1.462,412 0.618,413 0.927,415 1.372,416 0.506,417 1.202,418 0.45,419 2.801,420 1.061,421 0.08,422 0.089,424 0.192,425 0.078,426 0.701,427 0.217,428 2.237,429 0.296,430 -0.685,431 -0.803,433 -1.583,434 -0.669,435 0.5,436 -0.665,437 2.075,438 0.021,439 -0.954,440 -1,442 -2,443 -0.925,444 0.45,445 -0.895,446 2,448 -1,449 -1.189,451 -2.281,452 -0.961,453 0.282,454 -0.962,455 2,457 -1,458 -1.286,460 -2.347,461 -0.975,462 10.9,463 0.495,464 0.581,465 0.026,466 25.5,467 1.159,468 13,469 0.591,470 12.5,471 0.568,472 20.187,473 0.918,474 23.9,475 0.556,476 16.255,477 0.739,478 4.658,479 0.212,480 5.847,481 0.266,482 0.153,483 0.046,484 0.183,487 0.749,488 1.07,489 0.816,490 0.941,491 0.734,492 0.967,493 0.45,494 0.972,495 0.881,496 0.948,497 0.399,498 0.95,499 0.752,500 1.201,501 0.99,502 1.163,503 0.744,504 1.17,505 1.651,506 0.765,507 0.971,508 0.745,509 1.738,510 0.868,511 0.735,512 1.039,513 1.119,514 1.091,515 0.723,516 1.017,517 0.817,518 1.045,519 1.069,520 1.043,521 0.759,522 1.059,523 0.686,524 0.908,525 1.003,526 0.965,527 0.629,528 0.961,529 0.618,530 0.953,531 0.773,532 0.904,533 0.611,534 0.938,535 4.5,536 0.102,537 2.889,538 1.09,539 0.591,540 0.337,541 0.266,542 0.349,543 0.347,544 0.219,545 4696,546 13378,547 1.959,548 48.8,549 12,550 5,551 1,552 2,553 1,558 1.646,559 1.821,560 3.128,561 -0.354,563 1,567 64.032,568 1.489,569 3.542,570 4.554,571 4.88,572 4.88,573 4.88,574 2.424,575 3.698,576 4.434,577 3.322,578 767.479,579 7.62,580 8839.72,582 1,584 1,585 233.329,586 1.546,587 4.371,588 0.196,589 0.009,590 0.093,591 0.038,592 0.023,593 0.013,594 0.012,595 0.018,596 0.017,597 0.01,598 0.429,599 0.33,600 1,601 1.866,602 102.085,603 -0.046,604 0.016,605 0.048,606 0.072,607 -0.066,608 0.039,609 0.205,610 0.084,611 0.068,612 0.08,613 0.223,614 0.058,615 0.003,616 -0.216,617 -0.093,618 -0.192,619 0.035,620 -0.179,621 -0.247,622 0.162,623 -0.026,624 0.182,625 -0.258,626 0.079,627 -0.025,628 -0.046,629 -0.033,630 -0.028,631 -0.045,632 -0.006,633 -0.065,634 -0.063,635 -0.085,636 -0.059,637 -0.052,638 -0.072,639 -0.03,640 0.065,641 -0.038,642 0.008,643 -0.03,644 0.032,645 0.058,646 0.026,647 0.148,648 0.066,649 0.044,650 0.059,651 2.401,652 4.135,653 0.5,654 17.041,655 0.992,656 1.116,657 3.004,658 9.026,659 0.679,660 3.178,661 3.466,662 3.638,663 3.714,664 3.761,665 3.738,666 3.807,667 3.85,668 3.761,669 3.555,670 5.73,671 0.626,672 315.47,673 3.178,674 4.691,675 5.501,676 6.347,677 7.18,678 8.028,679 8.868,680 9.717,681 10.559,682 11.409,683 2.3,693 1,699 7,700 1,703 1,704 2,706 11,724 43,726 13,728 23,730 44,731 18,733 9,736 2,739 2,740 2,745 2,746 1,751 3,753 12,754 6,756 2,761 1,763 1,765 2,769 1,772 21,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,836 2,840 22,845 1,846 3,852 1,856 1,862 4.7,864 1,865 1,869 12.083,870 8.15,871 4.931,872 2.579,874 1.844,875 1.302,876 0.909,877 5.759,878 7.946,879 3.45,880 3.966,881 4.444,882 4.877,883 5.172,884 5.336,885 5.647,886 5.85,887 5.976,888 6.021,889 0.833,890 29,891 8.133,893 3.335,894 7.784,895 15.615,897 12.509,899 2.284,900 50.25,903 1,904 235.422,905 138.296,906 16.786,908 67.828,910 31.278,911 107.019,912 303.25,913 16.786,914 17.65,915 7.604,916 55.03,917 109.066,918 24.466,919 13.13,920 231.386,922 235.422,923 123.804,924 67.828,925 31.278,927 235.422,928 67.828,931 43.349,932 54.193,933 26.262,934 31.278,935 235.422,936 84.614,937 138.296,940 235.422,941 47.521,942 90.776,944 84.614,945 235.422,946 84.614,947 138.296,949 0.577,950 0.33,951 0.149,952 0.07,953 13,954 6,955 0.159,956 7,958 1,959 3.402,960 157.566,962 11,963 96.107,964 1,968 16.729,969 7.573,970 4.682,972 84.614,973 13.831,974 4.192,977 1.704,978 2.313,980 42.683,981 458.332,982 30.5,987 11.135,989 2.195,991 0.443,994 42.669,995 47.989,996 0.274,997 0.653,998 0.839,999 0.899,1000 0.899,1001 0.899,1002 4.661,1003 1,1004 5.509,1005 2.564,1006 4.143,1007 4.649,1008 2.258,1009 6.326,1010 4.083,1011 5.864,1012 0.714,1013 7.093,1014 2.136,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.849,1020 7.168,1021 0.618,1022 8.808,1023 1.686,1024 5.802,1025 6.739,1026 3.628,1027 10.587,1028 5.717,1029 8.516,1030 0.08,1031 10.606,1032 1.372,1033 6.431,1034 7.266,1035 4.112,1036 12.693,1037 6.364,1038 9.9,1039 -0.685,1040 12.457,1041 0.192,1042 7.847,1043 9.115,1044 5.201,1045 15.272,1046 7.758,1047 11.308,1048 -0.954,1049 14.34,1050 -1.583,1051 8.817,1052 10.024,1053 5.889,1054 17.614,1055 8.739,1056 12.734,1057 -1,1058 16.245,1059 -2,1060 10.073,1061 11.629,1062 6.849,1063 20.099,1064 9.985,1065 3.331,1066 -1,1067 18.165,1068 -2.281,1069 11.172,1070 12.733,1071 7.625,1072 22.516,1073 11.091,1074 3.011,1075 11.924,1076 20.095,1077 -2.347,1078 12.375,1079 14.218,1080 8.526,1081 24.979,1082 12.29,1083 2.29,1084 10.176,1085 22.032,1086 3.954,1087 13.525,1088 15.429,1089 9.342,1090 27.423,1091 13.443,1092 1.789,1093 6.425,1094 23.974,1095 3.522,1096 14.713,1097 16.853,1098 10.216,1099 29.884,1100 14.63,1101 1.551,1102 4.066,1103 25.921,1104 3.313,1105 15.883,1106 18.125,1107 11.051,1108 32.34,1109 15.802,1110 1.318,1111 3.496,1112 27.871,1113 2.536,1114 17.068,1115 19.519,1116 11.912,1117 34.804,1118 16.988,1119 1.151,1120 2.906,1121 29.824,1122 1.863,1123 18.248,1124 20.827,1125 12.755,1126 37.267,1127 18.17,1128 4804,1129 8183,1130 14.792,1131 29.176,1132 34.676,1133 34.419,1134 34.375,1135 33.642,1136 33.707,1137 43.742,1138 4.682,1139 93.885,1140 32.514,1141 5.28,1142 5.979,1143 7.008,1144 5.395,1145 5.331,1146 6.954,1147 3.925,1148 18.673,1149 5.292,1150 11.784,1151 1.508,1152 1.496,1153 1.495,1154 1.463,1155 1.466,1156 1.902,1157 0.204,1158 4.082,1159 1.414,1160 3.984,1161 4.007,1162 4.233,1163 3.984,1164 7.473,1165 3.934,1166 3.816,1167 3.855,1168 3.806,1169 3.727,1170 6.351,1171 3.696,1172 3.755,1173 3.779,1174 3.714,1175 3.689,1176 4.919,1177 3.679,1178 3.503,1179 3.557,1180 3.388,1181 3.38,1182 4.67,1183 3.366,1184 3.116,1185 3.166,1186 3.009,1187 2.979,1188 4.264,1189 2.966,1190 3.022,1191 3.047,1192 2.844,1193 2.637,1194 4.119,1195 2.701,1196 2.874,1197 3.009,1198 2.682,1199 2.619,1200 3.811,1201 2.603,1202 2.78,1203 2.863,1204 2.625,1205 2.618,1206 3.689,1207 2.57,1208 0.192,1209 0.173,1210 0.313,1211 0.188,1212 0.145,1213 4.407,1214 0.172,1215 3.979,1216 0.102,1217 7.206,1218 0.518,1219 4.332,1220 0.145,1221 3.331,1222 3.954,1223 2.341,1224 11.924,1225 3.327,1226 1.908,1227 1.88,1228 2.048,1229 2.007,1230 1.359,1231 2.021,1232 1.797,1233 1.756,1234 1.962,1235 1.944,1236 1.113,1237 1.954,1238 1.577,1239 1.538,1240 1.78,1241 1.719,1242 0.933,1243 1.742,1244 1.448,1245 1.408,1246 1.647,1247 1.572,1248 0.72,1249 1.602,1250 1.31,1251 1.291,1252 1.43,1253 1.38,1254 0.625,1255 1.444,1256 0.963,1257 0.916,1258 1.417,1259 1.276,1260 0.469,1261 1.308,1262 0.934,1263 0.817,1264 1.175,1265 1.239,1266 0.448,1267 1.212,1268 0.833,1269 0.804,1270 1.065,1271 1.089,1272 0.202,1273 1.162,1274 3.85,1276 5.142,1277 2.398,1278 6.619,1279 4.443,1280 8.176,1281 6.293,1282 9.774,1284 3.556,1289 9.156,1290 2.386,1296 -0.661,1300 26.906,1301 64.032,1302 152.31,1303 195.82,1304 209.82,1305 209.82,1306 209.82,1307 46.348,1308 6.103,1309 50.19,1310 78.43,1311 11,1312 11.969,1313 3.807,1314 3.087,1315 42.177,1316 73,1317 66,1318 0.273,1319 174.072,1320 302.05,1321 416.495,1322 2712,1324 16.002,1325 0.727,1326 0.626,1327 16.355,1328 13.768,1329 10.505,1330 0.457,1331 0.359,1332 7.415,1333 9.803,1334 7.041,1335 5.931,1336 10.959,1337 8.263,1338 9.496,1339 0.306,1340 0.221,1341 10.079,1342 6.866,1343 7.432,1344 0.201,1345 0.124,1346 8.098,1347 4.596,1348 5.053,1349 0.126,1350 0.075,1351 5.735,1352 3.001,1353 3.527,1354 0.084,1355 0.041,1356 3.906,1357 1.711,1358 0.427,1359 69.225,1360 0.26,1361 21.836,1362 0.749,1363 108,1364 294.391,1365 136.098,1366 310.698,1367 412.57,1368 288,1369 122,1370 275.179,1371 145.858,1372 298.46,1373 426.08,1374 278,1375 7.745} {0 CHEMBL98536,1 1.306,2 12.28,3 5.458,4 29.794,5 102.111,6 6.49,7 0.462,8 3.984,9 4.109,10 3.411,11 3.562,12 5.025,13 3.496,14 4.511,15 4.699,16 3.646,17 3.92,18 5.54,19 3.803,20 4.813,21 5.074,22 3.625,23 4.033,24 5.629,25 3.873,26 4.787,27 5.049,28 3.595,29 4.009,30 5.589,31 3.846,32 4.798,33 5.051,34 3.635,35 4.037,36 5.632,37 3.878,38 4.859,39 5.127,40 3.571,41 4.034,42 5.672,43 3.856,44 4.809,45 5.092,46 3.403,47 3.927,48 5.588,49 3.73,50 4.665,51 4.955,52 3.217,53 3.757,54 5.429,55 3.554,56 0.051,57 0.667,58 11.764,59 5.35,60 9.201,61 7.243,62 0.2,63 1.076,64 20.355,65 8.776,66 36.513,67 12.242,68 0.206,69 1.341,70 27.918,71 11.406,72 35.752,73 16.115,74 0.189,75 1.311,76 27.137,77 11.159,78 32.338,79 15.804,80 0.187,81 1.344,82 27.431,83 11.254,84 33.501,85 15.947,86 0.219,87 1.415,88 29.326,89 11.575,90 38.609,91 16.627,92 0.219,93 1.316,94 27.979,95 10.918,96 38.223,97 15.736,98 0.198,99 1.117,100 24.258,101 9.447,102 34.137,103 13.569,104 15,105 31,106 0.22,107 0.512,108 0.662,109 0.788,110 0.851,111 0.87,112 3.265,113 1.056,114 -5.06,115 -4.96,116 -4.64,118 42.3,120 8,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 19,169 1,172 3,175 1,177 1,180 21,181 1,186 3,191 1,194 21,195 1,198 3,203 1,206 20,207 1,210 4,215 1,218 19,219 1,222 4,227 1,229 16,230 1,234 3,239 1,242 13,243 1,247 2,252 1,255 11,256 1,259 2,264 1,267 10,268 1,270 1129,271 17.192,272 17.192,273 17.192,274 17.192,275 17.192,276 15.324,277 5.568,278 11.19,279 17.262,280 12.915,281 12.915,282 12.915,283 12.915,284 12.915,285 10.255,286 1.893,287 5.421,288 13.014,289 4.394,290 2.661,291 1.773,292 1.029,293 0.654,294 0.538,295 3.938,299 1,300 1,301 633,302 4,306 197.004,313 1.846,314 16.386,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 52.5,326 307,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.242,349 2.236,350 2.71,352 5.184,353 2.224,354 3.28,355 2.015,356 4.224,357 2.895,358 1.896,359 2.58,361 4.084,362 1.892,363 2.885,364 1.813,365 3.865,366 2.733,367 1.744,368 1.908,370 3.672,371 1.723,372 2.781,373 1.609,374 3.586,375 2.508,376 1.512,377 1.898,379 3.08,380 1.504,381 2.674,382 1.342,383 3.555,384 2.301,385 1.317,386 1.673,388 2.88,389 1.294,390 2.5,391 1.317,392 3.341,393 2.131,394 1.133,395 1.5,397 2.421,398 1.128,399 2.5,400 1,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.397,409 1,410 3.247,411 1.956,412 1,413 1.334,415 2.136,416 0.954,417 1.951,418 0.923,419 3,420 1.738,421 0.739,422 0.865,424 1.642,425 0.736,426 1.43,427 0.589,428 2.58,429 1.315,430 0.316,431 0.343,433 0.682,434 0.314,435 0.968,436 0.359,437 2.198,438 0.823,439 -0.178,440 -0.188,442 -0.38,443 -0.177,444 0.719,445 0.018,446 2.135,447 0.345,448 -0.658,449 -0.72,451 -1.422,452 -0.649,453 0.657,454 -0.479,455 1.676,456 0.276,457 -0.705,458 -0.952,460 -1.547,461 -0.69,462 12.067,463 0.483,464 0.315,465 0.013,466 29,467 1.16,468 15,469 0.6,470 14,471 0.56,472 21.367,473 0.855,474 27.533,475 0.529,476 18.764,477 0.751,478 5.429,479 0.217,480 6.842,481 0.274,482 0.055,484 0.166,487 0.754,488 1.165,489 0.955,490 1.104,491 0.693,492 1.059,493 0.462,494 1.202,495 1.056,496 1.205,497 0.396,498 1.189,499 0.779,500 0.929,501 0.933,502 0.936,503 0.795,504 0.95,505 0.702,506 0.952,507 0.929,508 0.959,509 0.699,510 0.967,511 0.722,512 1.036,513 0.979,514 1.023,515 0.72,516 1.028,517 0.772,518 1.039,519 1.031,520 1.031,521 0.735,522 1.05,523 0.784,524 0.998,525 1.023,526 1.009,527 0.762,528 1.032,529 0.827,530 0.939,531 0.994,532 0.967,533 0.835,534 0.991,535 2.5,536 0.041,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.09,544 0.071,545 7762,546 19714,547 2.019,548 51.9,549 14,550 8,552 2,553 1,554 2,558 1.675,559 1.948,560 3.523,561 -0.435,567 67.933,568 1.306,569 3.039,570 3.928,571 4.671,572 5.047,573 5.162,574 2.885,575 3.764,576 4.609,577 3.774,578 1132.28,579 7.95,580 15120.3,585 296.423,586 1.015,587 4.604,588 0.096,589 0.003,590 0.05,591 0.033,592 0.016,593 0.008,594 0.009,595 0.008,596 0.005,597 0.004,598 0.233,599 0.5,600 0.88,601 2.335,602 125.028,603 -0.036,604 -0.004,605 0.011,606 0.029,607 -0.013,608 0.023,609 0.185,610 -0.116,611 -0.103,612 -0.137,613 0.22,614 -0.146,615 -0.036,616 0.047,617 0.023,618 0.063,619 -0.035,620 0.05,621 -0.02,622 0.026,623 0.021,624 0.042,625 -0.022,626 0.036,627 -0.03,628 -0.041,629 -0.027,630 -0.017,631 -0.04,632 -0.023,633 -0.05,634 -0.048,635 -0.075,636 -0.052,637 -0.06,638 -0.064,639 -0.047,640 -0.031,641 -0.067,642 -0.045,643 -0.064,644 -0.055,645 -0.043,646 0.007,647 -0.036,648 -0.008,649 -0.07,650 -0.019,651 2.353,652 3.46,653 0.48,654 27.366,655 0.985,656 1.121,657 3.828,658 14.657,659 0.65,660 3.296,661 3.466,662 3.611,663 3.784,664 3.932,665 3.829,666 3.892,667 3.871,668 3.761,669 3.638,670 7.431,671 0.602,672 337.5,673 3.296,674 4.745,675 5.517,676 6.319,677 7.117,678 7.933,679 8.747,680 9.572,681 10.395,682 11.227,683 1.9,693 1,699 9,700 1,704 2,706 12,724 52,726 14,727 1,728 26,730 53,731 22,733 11,734 1,735 5,736 2,739 2,740 2,751 8,753 14,754 8,756 2,761 1,763 1,765 2,772 27,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 25,845 1,846 8,862 3.8,864 1,865 1,869 12.833,870 8.9,871 5.889,872 3.475,874 1.996,875 1.314,876 0.923,877 8.65,878 8.343,879 3.555,880 3.989,881 4.437,882 4.929,883 5.411,884 5.407,885 5.778,886 5.987,887 6.093,888 6.165,889 0.875,890 30,891 9.234,893 3.668,894 7.687,895 18.065,897 14.241,899 2.187,900 54.667,904 306.049,905 124.648,906 16.786,908 67.828,911 124.648,912 373.877,913 16.786,915 20.276,916 75.81,917 109.066,918 27.652,920 282.506,922 306.049,923 141.433,924 67.828,927 306.049,928 67.828,931 38.371,932 76.8,933 26.262,935 306.049,936 84.614,937 124.648,940 306.049,941 30.743,942 93.905,944 84.614,945 306.049,946 84.614,947 124.648,949 0.538,950 0.286,951 0.156,952 0.085,953 10,954 4,955 0.208,956 11,958 1,959 3.918,960 175.9,962 12,963 112.096,968 19.083,969 11.332,970 7.45,972 84.614,973 18.25,974 4.247,978 2.381,980 42.683,981 515.31,982 34,987 10.46,989 2.316,991 0.559,994 51.243,995 58.315,996 0.229,997 0.533,998 0.689,999 0.819,1000 0.885,1001 0.906,1002 4.7,1003 1.133,1004 5.398,1005 2.88,1006 4.143,1007 4.673,1008 2.258,1009 6.043,1010 4.129,1011 5.819,1012 1,1013 6.838,1014 2.421,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.046,1021 1,1022 8.394,1023 2.136,1024 5.541,1025 6.666,1026 3.628,1027 9.82,1028 5.52,1029 8.313,1030 0.739,1031 10.032,1032 2.136,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.62,1039 0.316,1040 11.732,1041 1.642,1042 7.245,1043 8.973,1044 5.201,1045 14.119,1046 7.22,1047 10.959,1048 -0.178,1049 13.478,1050 0.682,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.322,1057 -0.658,1058 15.257,1059 -0.38,1060 9.151,1061 11.449,1062 6.849,1063 18.634,1064 9.126,1065 3.006,1066 -0.705,1067 17.061,1068 -1.422,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.881,1077 -1.547,1078 11.188,1079 14.024,1080 8.526,1081 23.227,1082 11.163,1083 2.236,1084 6.4,1085 20.715,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.896,1093 5.184,1094 22.558,1095 3.298,1096 13.303,1097 16.66,1098 10.216,1099 27.849,1100 13.278,1101 1.744,1102 4.084,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.512,1111 3.672,1112 26.262,1113 2.58,1114 15.459,1115 19.335,1116 11.912,1117 32.481,1118 15.433,1119 1.317,1120 3.08,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 7826,1129 12554,1130 17.564,1131 33.813,1132 36.72,1133 37.109,1134 36.867,1135 36.369,1136 36.355,1137 47.106,1138 4.682,1139 88.978,1140 36.055,1141 5.304,1142 5.596,1143 6.407,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 9.94,1151 1.412,1152 1.427,1153 1.418,1154 1.399,1155 1.398,1156 1.812,1157 0.18,1158 3.422,1159 1.387,1160 3.998,1161 4.028,1162 3.94,1163 3.943,1164 7.474,1165 3.938,1166 3.795,1167 3.85,1168 3.716,1169 3.707,1170 6.351,1171 3.703,1172 3.785,1173 3.827,1174 3.645,1175 3.667,1176 4.924,1177 3.652,1178 3.64,1179 3.692,1180 3.505,1181 3.499,1182 4.74,1183 3.489,1184 3.441,1185 3.488,1186 3.312,1187 3.286,1188 4.268,1189 3.283,1190 3.217,1191 3.265,1192 3.079,1193 3.051,1194 4.121,1195 3.05,1196 2.982,1197 3.043,1198 2.799,1199 2.783,1200 3.876,1201 2.78,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.792,1207 2.715,1208 0.168,1209 0.138,1210 0.25,1211 0.154,1212 0.116,1213 4.369,1214 0.152,1215 3.596,1216 0.09,1217 6.498,1218 0.391,1219 4.005,1220 0.115,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.09,1229 2.051,1230 1.413,1231 2.064,1232 1.802,1233 1.753,1234 2.032,1235 1.954,1236 1.255,1237 1.984,1238 1.779,1239 1.734,1240 1.917,1241 1.893,1242 1.137,1243 1.903,1244 1.639,1245 1.584,1246 1.879,1247 1.816,1248 0.958,1249 1.839,1250 1.424,1251 1.373,1252 1.677,1253 1.622,1254 0.907,1255 1.637,1256 1.192,1257 1.143,1258 1.448,1259 1.405,1260 0.647,1261 1.416,1262 0.961,1263 0.9,1264 1.256,1265 1.203,1266 0.427,1267 1.22,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.251,1273 1.107,1274 3.97,1276 5.176,1278 6.569,1280 8.056,1282 9.599,1289 8.615,1290 7.838,1300 31.299,1301 67.933,1302 158.042,1303 204.242,1304 242.913,1305 262.423,1306 268.423,1307 49.823,1308 6.347,1309 50.19,1310 50.19,1311 12,1312 11.802,1313 3.907,1314 3.17,1315 52.019,1316 107,1317 123,1318 0.224,1319 198.383,1320 350.1,1321 475.814,1322 4196,1324 17.744,1325 0.71,1326 0.589,1327 17.744,1328 14.733,1329 12.271,1330 0.472,1331 0.352,1332 9.103,1333 12.047,1334 8.908,1335 7.485,1336 12.271,1337 9.149,1338 9.906,1339 0.32,1340 0.203,1341 9.906,1342 6.279,1343 7.33,1344 0.204,1345 0.118,1346 7.33,1347 4.251,1348 5.797,1349 0.135,1350 0.068,1351 5.797,1352 2.916,1353 4.534,1354 0.091,1355 0.039,1356 4.534,1357 1.959,1358 0.366,1359 75.28,1360 0.239,1361 25.215,1362 0.573,1363 114,1364 295.53,1365 119.816,1366 292.061,1367 388.67,1368 272,1369 124,1370 270.779,1371 128.157,1372 277.86,1373 393.4,1374 262,1375 6.509} {0 CHEMBL98601,1 1.306,2 12.28,3 5.458,4 29.794,5 102.111,6 6.49,7 0.462,8 3.984,9 4.109,10 3.411,11 3.562,12 5.025,13 3.496,14 4.511,15 4.699,16 3.646,17 3.92,18 5.54,19 3.803,20 4.813,21 5.074,22 3.625,23 4.033,24 5.629,25 3.873,26 4.787,27 5.049,28 3.595,29 4.009,30 5.589,31 3.846,32 4.798,33 5.051,34 3.635,35 4.037,36 5.632,37 3.878,38 4.859,39 5.127,40 3.571,41 4.034,42 5.672,43 3.856,44 4.809,45 5.092,46 3.403,47 3.927,48 5.588,49 3.73,50 4.665,51 4.955,52 3.217,53 3.757,54 5.429,55 3.554,56 0.051,57 0.667,58 11.764,59 5.35,60 9.201,61 7.243,62 0.2,63 1.076,64 20.355,65 8.776,66 36.513,67 12.242,68 0.206,69 1.341,70 27.918,71 11.406,72 35.752,73 16.115,74 0.189,75 1.311,76 27.137,77 11.159,78 32.338,79 15.804,80 0.187,81 1.344,82 27.431,83 11.254,84 33.501,85 15.947,86 0.219,87 1.415,88 29.326,89 11.575,90 38.609,91 16.627,92 0.219,93 1.316,94 27.979,95 10.918,96 38.223,97 15.736,98 0.198,99 1.117,100 24.258,101 9.447,102 34.137,103 13.569,104 15,105 31,106 0.22,107 0.512,108 0.662,109 0.788,110 0.851,111 0.87,112 3.265,113 1.056,114 -5.06,115 -4.96,116 -4.64,118 42.3,120 8,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 19,169 1,172 3,175 1,177 1,180 21,181 1,186 3,191 1,194 21,195 1,198 3,203 1,206 20,207 1,210 4,215 1,218 19,219 1,222 4,227 1,229 16,230 1,234 3,239 1,242 13,243 1,247 2,252 1,255 11,256 1,259 2,264 1,267 10,268 1,270 1129,271 17.192,272 17.192,273 17.192,274 17.192,275 17.192,276 15.324,277 5.568,278 11.19,279 17.262,280 12.915,281 12.915,282 12.915,283 12.915,284 12.915,285 10.255,286 1.893,287 5.421,288 13.014,289 4.394,290 2.661,291 1.773,292 1.029,293 0.654,294 0.538,295 3.938,299 1,300 1,301 633,302 4,306 197.004,313 1.846,314 16.386,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 52.5,326 307,327 4.369,328 3.596,329 6.498,330 4.005,331 3.006,332 3.943,333 2.341,334 10.173,335 3.001,336 3.736,337 3.024,338 5.247,339 3.27,340 2.278,341 3.298,343 6.4,344 2.259,345 3.55,346 2.278,347 4.659,348 3.242,349 2.236,350 2.71,352 5.184,353 2.224,354 3.28,355 2.015,356 4.224,357 2.895,358 1.896,359 2.58,361 4.084,362 1.892,363 2.885,364 1.813,365 3.865,366 2.733,367 1.744,368 1.908,370 3.672,371 1.723,372 2.781,373 1.609,374 3.586,375 2.508,376 1.512,377 1.898,379 3.08,380 1.504,381 2.674,382 1.342,383 3.555,384 2.301,385 1.317,386 1.673,388 2.88,389 1.294,390 2.5,391 1.317,392 3.341,393 2.131,394 1.133,395 1.5,397 2.421,398 1.128,399 2.5,400 1,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.397,409 1,410 3.247,411 1.956,412 1,413 1.334,415 2.136,416 0.954,417 1.951,418 0.923,419 3,420 1.738,421 0.739,422 0.865,424 1.642,425 0.736,426 1.43,427 0.589,428 2.58,429 1.315,430 0.316,431 0.343,433 0.682,434 0.314,435 0.968,436 0.359,437 2.198,438 0.823,439 -0.178,440 -0.188,442 -0.38,443 -0.177,444 0.719,445 0.018,446 2.135,447 0.345,448 -0.658,449 -0.72,451 -1.422,452 -0.649,453 0.657,454 -0.479,455 1.676,456 0.276,457 -0.705,458 -0.952,460 -1.547,461 -0.69,462 12.067,463 0.483,464 0.315,465 0.013,466 29,467 1.16,468 15,469 0.6,470 14,471 0.56,472 21.367,473 0.855,474 27.533,475 0.529,476 18.764,477 0.751,478 5.429,479 0.217,480 6.842,481 0.274,482 0.055,484 0.166,487 0.754,488 1.165,489 0.955,490 1.104,491 0.693,492 1.059,493 0.462,494 1.202,495 1.056,496 1.205,497 0.396,498 1.189,499 0.779,500 0.929,501 0.933,502 0.936,503 0.795,504 0.95,505 0.702,506 0.952,507 0.929,508 0.959,509 0.699,510 0.967,511 0.722,512 1.036,513 0.979,514 1.023,515 0.72,516 1.028,517 0.772,518 1.039,519 1.031,520 1.031,521 0.735,522 1.05,523 0.784,524 0.998,525 1.023,526 1.009,527 0.762,528 1.032,529 0.827,530 0.939,531 0.994,532 0.967,533 0.835,534 0.991,535 2.5,536 0.041,537 1.556,538 1,539 0.462,540 0.25,541 0.24,542 0.167,543 0.09,544 0.071,545 7762,546 19714,547 2.019,548 51.9,549 14,550 8,552 2,553 1,554 2,558 1.675,559 1.948,560 3.523,561 -0.435,567 67.933,568 1.306,569 3.039,570 3.928,571 4.671,572 5.047,573 5.162,574 2.885,575 3.764,576 4.609,577 3.774,578 1132.28,579 7.95,580 15120.3,585 296.423,586 1.015,587 4.604,588 0.096,589 0.003,590 0.05,591 0.033,592 0.016,593 0.008,594 0.009,595 0.008,596 0.005,597 0.004,598 0.233,599 0.5,600 0.88,601 2.335,602 125.028,603 -0.036,604 -0.004,605 0.011,606 0.029,607 -0.013,608 0.023,609 0.185,610 -0.116,611 -0.103,612 -0.137,613 0.22,614 -0.146,615 -0.036,616 0.047,617 0.023,618 0.063,619 -0.035,620 0.05,621 -0.02,622 0.026,623 0.021,624 0.042,625 -0.022,626 0.036,627 -0.03,628 -0.041,629 -0.027,630 -0.017,631 -0.04,632 -0.023,633 -0.05,634 -0.048,635 -0.075,636 -0.052,637 -0.06,638 -0.064,639 -0.047,640 -0.031,641 -0.067,642 -0.045,643 -0.064,644 -0.055,645 -0.043,646 0.007,647 -0.036,648 -0.008,649 -0.07,650 -0.019,651 2.353,652 3.46,653 0.48,654 27.366,655 0.985,656 1.121,657 3.828,658 14.657,659 0.65,660 3.296,661 3.466,662 3.611,663 3.784,664 3.932,665 3.829,666 3.892,667 3.871,668 3.761,669 3.638,670 7.431,671 0.602,672 337.5,673 3.296,674 4.745,675 5.517,676 6.319,677 7.117,678 7.933,679 8.747,680 9.572,681 10.395,682 11.227,683 1.9,693 1,699 9,700 1,704 2,706 12,724 52,726 14,727 1,728 26,730 53,731 22,733 11,734 1,735 5,736 2,739 2,740 2,751 8,753 14,754 8,756 2,761 1,763 1,765 2,772 27,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,840 25,845 1,846 8,862 3.8,864 1,865 1,869 12.833,870 8.9,871 5.889,872 3.475,874 1.996,875 1.314,876 0.923,877 8.65,878 8.343,879 3.555,880 3.989,881 4.437,882 4.929,883 5.411,884 5.407,885 5.778,886 5.987,887 6.093,888 6.165,889 0.875,890 30,891 9.234,893 3.668,894 7.687,895 18.065,897 14.241,899 2.187,900 54.667,904 306.049,905 124.648,906 16.786,908 67.828,911 124.648,912 373.877,913 16.786,915 20.276,916 75.81,917 109.066,918 27.652,920 282.506,922 306.049,923 141.433,924 67.828,927 306.049,928 67.828,931 38.371,932 76.8,933 26.262,935 306.049,936 84.614,937 124.648,940 306.049,941 30.743,942 93.905,944 84.614,945 306.049,946 84.614,947 124.648,949 0.538,950 0.286,951 0.156,952 0.085,953 10,954 4,955 0.208,956 11,958 1,959 3.918,960 175.9,962 12,963 112.096,968 19.083,969 11.332,970 7.45,972 84.614,973 18.25,974 4.247,978 2.381,980 42.683,981 515.31,982 34,987 10.46,989 2.316,991 0.559,994 51.243,995 58.315,996 0.229,997 0.533,998 0.689,999 0.819,1000 0.885,1001 0.906,1002 4.7,1003 1.133,1004 5.398,1005 2.88,1006 4.143,1007 4.673,1008 2.258,1009 6.043,1010 4.129,1011 5.819,1012 1,1013 6.838,1014 2.421,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.209,1020 7.046,1021 1,1022 8.394,1023 2.136,1024 5.541,1025 6.666,1026 3.628,1027 9.82,1028 5.52,1029 8.313,1030 0.739,1031 10.032,1032 2.136,1033 5.565,1034 6.861,1035 4.112,1036 11.516,1037 5.553,1038 9.62,1039 0.316,1040 11.732,1041 1.642,1042 7.245,1043 8.973,1044 5.201,1045 14.119,1046 7.22,1047 10.959,1048 -0.178,1049 13.478,1050 0.682,1051 7.787,1052 9.651,1053 5.889,1054 16.209,1055 7.773,1056 12.322,1057 -0.658,1058 15.257,1059 -0.38,1060 9.151,1061 11.449,1062 6.849,1063 18.634,1064 9.126,1065 3.006,1066 -0.705,1067 17.061,1068 -1.422,1069 9.975,1070 12.406,1071 7.625,1072 20.866,1073 9.958,1074 2.278,1075 10.173,1076 18.881,1077 -1.547,1078 11.188,1079 14.024,1080 8.526,1081 23.227,1082 11.163,1083 2.236,1084 6.4,1085 20.715,1086 3.943,1087 12.157,1088 15.147,1089 9.342,1090 25.512,1091 12.136,1092 1.896,1093 5.184,1094 22.558,1095 3.298,1096 13.303,1097 16.66,1098 10.216,1099 27.849,1100 13.278,1101 1.744,1102 4.084,1103 24.407,1104 2.71,1105 14.341,1106 17.883,1107 11.051,1108 30.154,1109 14.318,1110 1.512,1111 3.672,1112 26.262,1113 2.58,1114 15.459,1115 19.335,1116 11.912,1117 32.481,1118 15.433,1119 1.317,1120 3.08,1121 28.12,1122 1.908,1123 16.53,1124 20.618,1125 12.755,1126 34.795,1127 16.505,1128 7826,1129 12554,1130 17.564,1131 33.813,1132 36.72,1133 37.109,1134 36.867,1135 36.369,1136 36.355,1137 47.106,1138 4.682,1139 88.978,1140 36.055,1141 5.304,1142 5.596,1143 6.407,1144 5.04,1145 5.006,1146 6.943,1147 3.925,1148 16.907,1149 5.001,1150 9.94,1151 1.412,1152 1.427,1153 1.418,1154 1.399,1155 1.398,1156 1.812,1157 0.18,1158 3.422,1159 1.387,1160 3.998,1161 4.028,1162 3.94,1163 3.943,1164 7.474,1165 3.938,1166 3.795,1167 3.85,1168 3.716,1169 3.707,1170 6.351,1171 3.703,1172 3.785,1173 3.827,1174 3.645,1175 3.667,1176 4.924,1177 3.652,1178 3.64,1179 3.692,1180 3.505,1181 3.499,1182 4.74,1183 3.489,1184 3.441,1185 3.488,1186 3.312,1187 3.286,1188 4.268,1189 3.283,1190 3.217,1191 3.265,1192 3.079,1193 3.051,1194 4.121,1195 3.05,1196 2.982,1197 3.043,1198 2.799,1199 2.783,1200 3.876,1201 2.78,1202 2.854,1203 2.925,1204 2.687,1205 2.735,1206 3.792,1207 2.715,1208 0.168,1209 0.138,1210 0.25,1211 0.154,1212 0.116,1213 4.369,1214 0.152,1215 3.596,1216 0.09,1217 6.498,1218 0.391,1219 4.005,1220 0.115,1221 3.006,1222 3.943,1223 2.341,1224 10.173,1225 3.001,1226 1.975,1227 1.95,1228 2.09,1229 2.051,1230 1.413,1231 2.064,1232 1.802,1233 1.753,1234 2.032,1235 1.954,1236 1.255,1237 1.984,1238 1.779,1239 1.734,1240 1.917,1241 1.893,1242 1.137,1243 1.903,1244 1.639,1245 1.584,1246 1.879,1247 1.816,1248 0.958,1249 1.839,1250 1.424,1251 1.373,1252 1.677,1253 1.622,1254 0.907,1255 1.637,1256 1.192,1257 1.143,1258 1.448,1259 1.405,1260 0.647,1261 1.416,1262 0.961,1263 0.9,1264 1.256,1265 1.203,1266 0.427,1267 1.22,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.251,1273 1.107,1274 3.97,1276 5.176,1278 6.569,1280 8.056,1282 9.599,1289 8.615,1290 7.838,1300 31.299,1301 67.933,1302 158.042,1303 204.242,1304 242.913,1305 262.423,1306 268.423,1307 49.823,1308 6.347,1309 50.19,1310 50.19,1311 12,1312 11.802,1313 3.907,1314 3.17,1315 52.019,1316 107,1317 123,1318 0.224,1319 198.383,1320 350.1,1321 475.814,1322 4196,1324 17.744,1325 0.71,1326 0.589,1327 17.744,1328 14.733,1329 12.271,1330 0.472,1331 0.352,1332 9.103,1333 12.047,1334 8.908,1335 7.485,1336 12.271,1337 9.149,1338 9.906,1339 0.32,1340 0.203,1341 9.906,1342 6.279,1343 7.33,1344 0.204,1345 0.118,1346 7.33,1347 4.251,1348 5.797,1349 0.135,1350 0.068,1351 5.797,1352 2.916,1353 4.534,1354 0.091,1355 0.039,1356 4.534,1357 1.959,1358 0.366,1359 75.28,1360 0.239,1361 25.215,1362 0.573,1363 114,1364 295.53,1365 119.816,1366 292.061,1367 388.67,1368 272,1369 124,1370 270.779,1371 128.157,1372 277.86,1373 393.4,1374 262,1375 7.377} {0 CHEMBL98690,1 1.486,2 9.625,3 3.402,4 11.572,5 89.474,6 7.567,7 0.462,8 3.86,9 3.952,10 3.432,11 3.401,12 5.009,13 3.392,14 4.377,15 4.516,16 3.742,17 3.763,18 5.577,19 3.725,20 4.574,21 4.775,22 3.679,23 3.866,24 5.57,25 3.779,26 4.57,27 4.775,28 3.625,29 3.856,30 5.536,31 3.756,32 4.593,33 4.807,34 3.63,35 3.871,36 5.553,37 3.763,38 4.64,39 4.861,40 3.654,41 3.861,42 5.624,43 3.761,44 4.62,45 4.839,46 3.587,47 3.787,48 5.571,49 3.686,50 4.541,51 4.768,52 3.467,53 3.637,54 5.505,55 3.539,56 0.051,57 0.554,58 8.437,59 4.226,60 9.911,61 5.007,62 0.369,63 0.888,64 16.096,65 6.838,66 44.756,67 8.435,68 0.277,69 1.061,70 21.16,71 8.663,72 41.821,73 11.271,74 0.271,75 1.06,76 21.071,77 8.686,78 38.853,79 11.38,80 0.241,81 1.098,82 21.568,83 8.917,84 38.604,85 11.932,86 0.284,87 1.144,88 23.087,89 8.941,90 43.067,91 12.012,92 0.359,93 1.09,94 23.03,95 8.631,96 40.512,97 11.462,98 0.354,99 0.982,100 21.803,101 7.835,102 35.922,103 10.406,104 11,105 34,106 0.259,107 0.619,108 0.787,109 0.874,110 0.907,111 0.907,112 3.228,113 0.919,114 -3.74,115 -3.7,116 -3.52,118 44.2,120 4,125 1,133 1,134 1,140 5,141 2,142 2,143 2,154 1,163 1,167 1,168 12,169 1,171 1,172 5,175 1,177 1,180 13,181 1,186 7,191 1,194 14,195 1,198 6,203 1,206 13,207 1,210 7,215 1,218 11,219 1,222 7,227 1,229 8,230 1,233 1,234 6,239 1,242 5,243 2,246 1,247 6,252 2,255 2,256 3,259 5,260 1,264 3,268 2,270 1004,271 16.466,272 16.466,273 16.466,274 16.466,275 16.466,276 14.625,277 12.168,278 10.186,279 16.68,280 12.886,281 12.886,282 12.886,283 12.886,284 12.886,285 10.106,286 9.733,287 4.882,288 13.218,289 3.94,290 1.88,291 0.921,292 0.419,293 0.233,294 0.233,295 3.913,298 1,299 1,300 1,301 493,302 3.606,305 61.579,306 150.211,309 105.506,313 1.406,314 22.991,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 52.5,326 231,327 4.432,328 3.596,329 6.524,330 4.057,331 3.071,332 4.065,333 2.341,334 10.286,335 3.035,336 4.143,337 3.319,338 6.142,339 3.76,340 2.802,341 3.681,342 1.392,343 9.046,344 2.667,345 3.579,346 2.979,347 5.204,348 3.24,349 2.235,350 3.001,351 0.532,352 6.242,353 2.222,354 3.549,355 2.219,356 4.659,357 3.13,358 2.15,359 2.71,361 5.184,362 2.103,363 3.065,364 1.994,365 4.387,366 2.696,367 1.701,368 2.244,370 4.251,371 1.688,372 2.885,373 1.968,374 4.148,375 2.48,376 1.534,377 2.022,379 3.843,380 1.45,381 2.756,382 1.73,383 3.637,384 2.451,385 1.478,386 1.795,388 3.126,389 1.426,390 2.5,391 1.47,392 3.464,393 2.117,394 1.126,395 1.5,397 2.529,398 1.113,399 2.432,400 1.307,401 3.374,402 1.999,403 1,404 1.364,406 2.263,407 0.996,408 2.182,409 1,410 3.247,411 1.956,412 1,413 1.146,415 2.136,416 0.953,417 1.732,418 0.843,419 3.037,420 1.528,421 0.55,422 0.628,424 1.257,425 0.533,426 1.562,427 0.691,428 2.835,429 1.281,430 0.326,431 0.387,433 0.791,434 0.309,435 0.935,436 0.425,437 2.428,438 0.729,439 -0.27,440 -0.293,442 -0.609,443 -0.267,444 0.705,445 0.034,446 2.192,447 0.292,448 -0.684,449 -0.883,451 -1.657,452 -0.662,453 0.592,454 -0.468,455 2.098,456 0.144,457 -0.846,458 -1.052,460 -2,461 -0.815,462 11.233,463 0.468,464 0.435,465 0.018,466 31,467 1.292,468 16,469 0.667,470 15,471 0.625,472 17.756,473 0.74,474 25.967,475 0.604,476 21.431,477 0.893,478 6.194,479 0.258,480 5.543,481 0.231,482 0.059,484 0.267,487 0.818,488 1.174,489 0.771,490 1.089,491 0.723,492 0.95,493 0.798,494 1.025,495 0.927,496 1.013,497 0.493,498 0.997,499 0.812,500 0.965,501 0.946,502 0.974,503 0.879,504 0.987,505 0.771,506 1.004,507 0.996,508 1.022,509 0.797,510 1.052,511 0.64,512 1.068,513 0.954,514 1.062,515 0.753,516 1.073,517 0.755,518 1.055,519 0.973,520 1.041,521 0.746,522 1.045,523 0.881,524 1.049,525 1.041,526 1.064,527 0.66,528 1.081,529 0.978,530 1.076,531 1.036,532 1.079,533 0.674,534 1.072,535 3.5,536 0.103,537 2.222,538 1.194,539 0.719,540 0.448,541 0.362,542 0.218,543 0.229,544 0.143,545 6351,546 19613,547 2.089,548 44.2,549 6,550 6,551 2,552 2,553 1,554 2,558 1.673,559 2,560 3.237,561 -0.342,563 1,565 1,567 63.908,568 1.486,569 3.547,570 4.505,571 5.008,572 5.194,573 5.194,574 2.669,575 3.918,576 4.55,577 3.434,578 947.907,579 7.876,580 11420.9,582 1,584 1,585 233.329,586 1.189,587 4.536,588 0.135,589 0.008,590 0.065,591 0.037,592 0.024,593 0.015,594 0.012,595 0.008,596 0.01,597 0.008,598 0.322,599 0.33,600 1,601 1.636,602 114.482,603 -0.053,604 -0.074,605 0.036,606 -0.027,607 -0.059,608 0.013,609 0.133,610 0.025,611 -0.036,612 0.003,613 0.185,614 -0.04,615 -0.068,616 0.024,617 -0.023,618 0.038,619 -0.081,620 0.02,621 -0.068,622 -0.016,623 -0.079,624 -0.01,625 -0.089,626 -0.041,627 -0.023,628 -0.076,629 -0.042,630 -0.051,631 -0.071,632 -0.052,633 -0.044,634 -0.052,635 -0.034,636 -0.057,637 -0.046,638 -0.043,639 -0.035,640 -0.065,641 -0.076,642 -0.09,643 -0.044,644 -0.092,645 -0.029,646 -0.115,647 -0.04,648 -0.119,649 -0.006,650 -0.09,651 2.415,652 3.598,653 0.625,654 22.167,655 1.008,656 1.118,657 2.506,658 6.278,659 0.667,660 3.296,661 3.555,662 3.784,663 4.025,664 4.19,665 4.248,666 4.407,667 4.511,668 4.443,669 4.407,670 6.001,671 0.642,672 325.39,673 3.296,674 4.796,675 5.617,676 6.466,677 7.311,678 8.172,679 9.03,680 9.898,681 10.763,682 11.636,683 2.3,693 1,699 7,700 1,704 4,706 12,722 2,724 43,726 14,727 1,728 26,730 45,731 19,733 11,734 3,735 3,736 2,739 3,740 4,751 4,753 14,754 5,756 2,761 1,763 1,765 2,768 1,769 1,772 19,773 5,774 1,775 5,779 1,784 0.667,785 4,795 1,801 1,802 2,805 1,818 1,822 1,823 1,830 1,832 2,840 24,845 1,846 5,848 2,862 9.3,864 1,865 1,867 2,869 12,870 7.567,871 5.417,872 2.621,874 2.151,875 1.318,876 0.944,877 5.494,878 8.92,879 3.555,880 4.078,881 4.595,882 5.13,883 5.64,884 5.835,885 6.232,886 6.511,887 6.646,888 6.849,889 1,890 32,891 8.84,893 3.669,894 7.854,895 16.82,897 13.47,899 2.354,900 56.5,903 1,904 211.88,905 112.694,906 16.786,908 89.828,911 112.694,912 301.708,913 16.786,915 16.788,916 56.857,917 109.066,918 60.138,919 23.542,920 164.795,922 211.88,923 129.48,924 89.828,927 211.88,928 89.828,931 34.883,932 68.335,933 26.262,935 211.88,936 106.614,937 112.694,940 211.88,941 37.742,942 74.952,944 106.614,945 211.88,946 106.614,947 112.694,949 0.561,950 0.311,951 0.169,952 0.088,953 15,954 6,955 0.156,956 7,957 1,958 1.133,959 3.708,960 185.93,961 0.133,962 15,963 110.039,968 16.53,969 7.977,970 4.37,972 106.614,973 13.372,974 4.197,978 3.555,980 42.683,981 431.188,982 34,987 10.598,989 2.135,991 0.318,994 43.363,995 48.073,996 0.274,997 0.654,998 0.83,999 0.923,1000 0.957,1001 0.957,1002 4.754,1003 1.126,1004 5.557,1005 3.126,1006 4.234,1007 4.762,1008 2.639,1009 6.304,1010 4.186,1011 5.92,1012 1,1013 7.067,1014 2.529,1015 3.611,1016 4.369,1017 2.243,1018 7.111,1019 3.537,1020 7.196,1021 1,1022 8.686,1023 2.263,1024 5.746,1025 6.859,1026 3.813,1027 10.22,1028 5.654,1029 8.511,1030 0.55,1031 10.374,1032 2.136,1033 6.019,1034 7.327,1035 4.112,1036 11.942,1037 5.896,1038 9.862,1039 0.326,1040 12.11,1041 1.257,1042 7.562,1043 9.258,1044 5.279,1045 14.533,1046 7.427,1047 11.238,1048 -0.27,1049 13.878,1050 0.791,1051 8.267,1052 10.142,1053 5.889,1054 16.604,1055 8.105,1056 12.635,1057 -0.684,1058 15.67,1059 -0.609,1060 9.555,1061 11.816,1062 6.878,1063 19.018,1064 9.381,1065 3.071,1066 -0.846,1067 17.479,1068 -1.657,1069 10.471,1070 12.922,1071 7.625,1072 21.229,1073 10.275,1074 2.802,1075 10.286,1076 19.3,1077 -2,1078 11.649,1079 14.464,1080 8.536,1081 23.579,1082 11.442,1083 2.235,1084 9.046,1085 21.13,1086 4.065,1087 12.665,1088 15.692,1089 9.342,1090 25.847,1091 12.441,1092 2.15,1093 6.242,1094 22.966,1095 3.681,1096 13.798,1097 17.163,1098 10.22,1099 28.174,1100 13.563,1101 1.701,1102 5.184,1103 24.808,1104 3.001,1105 14.862,1106 18.461,1107 11.051,1108 30.468,1109 14.613,1110 1.534,1111 4.251,1112 26.654,1113 2.71,1114 15.977,1115 19.894,1116 11.913,1117 32.789,1118 15.718,1119 1.478,1120 3.843,1121 28.504,1122 2.244,1123 17.063,1124 21.232,1125 12.755,1126 35.096,1127 16.794,1128 6224,1129 11025,1130 17.682,1131 28.676,1132 38.249,1133 39.023,1134 38.549,1135 37.941,1136 37.948,1137 49.085,1138 8.528,1139 101.908,1140 36.99,1141 5.292,1142 5.596,1143 6.326,1144 5.094,1145 5.071,1146 7.065,1147 3.925,1148 17.115,1149 5.035,1150 9.332,1151 1.471,1152 1.501,1153 1.483,1154 1.459,1155 1.46,1156 1.888,1157 0.328,1158 3.92,1159 1.423,1160 4.02,1161 4.038,1162 3.975,1163 3.949,1164 7.474,1165 3.951,1166 3.829,1167 3.855,1168 3.773,1169 3.717,1170 6.351,1171 3.726,1172 3.726,1173 3.775,1174 3.601,1175 3.587,1176 5.018,1177 3.579,1178 3.485,1179 3.514,1180 3.396,1181 3.316,1182 4.895,1183 3.326,1184 3.287,1185 3.314,1186 3.173,1187 3.042,1188 4.422,1189 3.069,1190 3.075,1191 3.118,1192 2.942,1193 2.875,1194 4.144,1195 2.885,1196 2.837,1197 2.893,1198 2.694,1199 2.68,1200 3.976,1201 2.673,1202 2.796,1203 2.865,1204 2.638,1205 2.62,1206 3.864,1207 2.619,1208 0.17,1209 0.138,1210 0.251,1211 0.156,1212 0.118,1213 4.432,1214 0.156,1215 3.596,1216 0.09,1217 6.524,1218 0.396,1219 4.057,1220 0.117,1221 3.071,1222 4.065,1223 2.341,1224 10.286,1225 3.035,1226 1.963,1227 1.943,1228 2.062,1229 2.042,1230 1.326,1231 2.049,1232 1.765,1233 1.737,1234 1.939,1235 1.886,1236 1.146,1237 1.905,1238 1.716,1239 1.665,1240 1.874,1241 1.876,1242 0.935,1243 1.877,1244 1.414,1245 1.376,1246 1.635,1247 1.62,1248 0.834,1249 1.618,1250 1.162,1251 1.13,1252 1.439,1253 1.519,1254 0.579,1255 1.485,1256 1.082,1257 1.049,1258 1.3,1259 1.31,1260 0.444,1261 1.3,1262 0.794,1263 0.74,1264 1.095,1265 1.053,1266 0.207,1267 1.067,1268 0.79,1269 0.729,1270 1.081,1271 0.989,1272 0.154,1273 1.02,1274 3.97,1276 5.242,1277 2.398,1278 6.703,1279 4.595,1280 8.259,1281 6.581,1282 9.869,1289 8.718,1290 2.778,1292 10.829,1300 27.622,1301 63.908,1302 152.5,1303 193.72,1304 215.329,1305 223.329,1306 223.329,1307 37.912,1308 6.768,1309 68.65,1310 68.65,1311 17,1312 12.179,1313 3.907,1314 3.17,1315 39.103,1316 79,1317 100,1318 0.224,1319 170.205,1320 303.42,1321 407.06,1322 6706,1324 16.778,1325 0.699,1326 0.553,1327 16.778,1328 13.274,1329 11.737,1330 0.451,1331 0.306,1332 7.849,1333 11.263,1334 7.71,1335 6.393,1336 11.737,1337 7.962,1338 10.118,1339 0.298,1340 0.164,1341 10.118,1342 5.567,1343 8.01,1344 0.186,1345 0.09,1346 8.01,1347 3.849,1348 6.656,1349 0.121,1350 0.048,1351 6.656,1352 2.655,1353 5.111,1354 0.079,1355 0.027,1356 5.111,1357 1.728,1358 0.349,1359 73.894,1360 0.238,1361 23.553,1362 0.623,1363 120,1364 393.001,1365 133.123,1366 369.42,1367 494.73,1368 346,1369 137,1370 350.688,1371 148.576,1372 353.098,1373 512.03,1374 331,1375 7.252} {0 CHEMBL98694,1 1.519,2 9.455,3 3.839,4 14.739,5 83.924,6 7.484,7 0.522,8 3.754,9 3.862,10 3.3,11 3.337,12 4.95,13 3.305,14 4.241,15 4.399,16 3.582,17 3.679,18 5.496,19 3.614,20 4.519,21 4.742,22 3.565,23 3.78,24 5.599,25 3.682,26 4.479,27 4.704,28 3.488,29 3.751,30 5.496,31 3.64,32 4.483,33 4.699,34 3.524,35 3.789,36 5.483,37 3.674,38 4.571,39 4.808,40 3.499,41 3.783,42 5.598,43 3.656,44 4.517,45 4.777,46 3.371,47 3.65,48 5.525,49 3.515,50 4.363,51 4.626,52 3.261,53 3.417,54 5.52,55 3.309,56 0.035,57 0.578,58 7.697,59 3.957,60 11.238,61 4.817,62 0.162,63 0.914,64 13.745,65 6.379,66 39.389,67 8.141,68 0.267,69 1.135,70 20.775,71 8.362,72 58.432,73 10.759,74 0.24,75 1.063,76 19.802,77 8.087,78 52.105,79 10.592,80 0.177,81 1.042,82 19.204,83 8.117,84 40.761,85 10.889,86 0.226,87 1.147,88 21.79,89 8.554,90 46.078,91 11.608,92 0.23,93 1.124,94 21.481,95 8.14,96 47.884,97 11.017,98 0.313,99 1.036,100 19.193,101 6.855,102 58.526,103 8.866,104 16,105 29,106 0.271,107 0.609,108 0.76,109 0.847,110 0.877,111 0.877,112 3.146,113 0.946,114 -4.54,115 -4.47,116 -4.2,118 45,120 4,133 1,134 1,140 6,141 2,142 1,143 2,154 1,163 1,167 1,168 13,169 1,172 3,175 1,177 1,180 15,181 1,186 3,191 1,194 16,195 1,198 3,203 1,206 15,207 1,210 4,215 1,218 13,219 1,222 4,227 1,229 10,230 1,234 2,239 1,242 6,243 2,247 3,252 2,255 3,256 3,259 3,260 1,264 3,268 3,270 816,271 14.811,272 14.811,273 14.811,274 14.811,275 14.811,276 12.918,277 7.195,278 9.276,279 14.944,280 11.381,281 11.381,282 11.381,283 11.381,284 11.381,285 8.66,286 2.555,287 4.458,288 11.606,289 3.803,290 1.901,291 1.057,292 0.569,293 0.4,294 0.4,295 3.81,298 1,299 1,300 1,301 425,302 3.536,306 163.658,313 1.364,314 24.87,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48,326 208,327 4.378,328 3.596,329 6.499,330 4.011,331 3.014,332 3.965,333 2.341,334 10.178,335 3.006,336 3.869,337 3.057,338 5.308,339 3.407,340 2.442,341 3.446,343 6.655,344 2.353,345 3.551,346 2.838,347 4.934,348 3.24,349 2.235,350 2.883,352 5.684,353 2.222,354 3.499,355 2.189,356 4.659,357 3.03,358 2.069,359 2.71,361 5.184,362 1.973,363 3.026,364 1.942,365 4.132,366 2.671,367 1.679,368 2.198,370 3.809,371 1.659,372 2.756,373 1.531,374 3.634,375 2.43,376 1.459,377 1.793,379 3.114,380 1.412,381 2.5,382 1.307,383 3.414,384 2.032,385 1.039,386 1.5,388 2.376,389 1.027,390 2.5,391 1,392 3.392,393 2,394 1,395 1.5,397 2.275,398 1,399 2.419,400 1,401 3.247,402 1.956,403 1,404 1.336,406 2.136,407 0.953,408 1.678,409 0.813,410 2.846,411 1.493,412 0.502,413 0.569,415 1.12,416 0.494,417 1.148,418 0.542,419 2.317,420 0.823,421 -0.142,422 -0.164,424 -0.307,425 -0.132,426 0.864,427 0.246,428 2.192,429 0.553,430 -0.396,431 -0.465,433 -0.882,434 -0.371,435 0.603,436 -0.02,437 2,438 0.158,439 -0.822,440 -1.043,442 -1.824,443 -0.784,444 0.5,445 -0.703,446 1.636,448 -1,449 -1.247,451 -2,452 -0.957,453 0.5,454 -0.832,455 1.555,456 -0.006,457 -1,458 -1.439,460 -2.347,461 -0.975,462 10.352,463 0.471,464 0.421,465 0.019,466 27.75,467 1.261,468 15,469 0.682,470 12.75,471 0.58,472 15.84,473 0.72,474 23.848,475 0.596,476 19.306,477 0.878,478 5.633,479 0.256,480 5.032,481 0.229,482 0.092,484 0.241,486 1,487 0.637,488 0.982,489 0.781,490 1.015,491 0.621,492 0.952,493 0.502,494 1.053,495 0.888,496 1.135,497 0.455,498 1.105,499 0.898,500 0.923,501 0.973,502 0.936,503 0.903,504 0.967,505 0.774,506 0.863,507 0.983,508 0.962,509 0.787,510 1.01,511 0.555,512 0.863,513 0.948,514 1.051,515 0.575,516 1.085,517 0.652,518 0.936,519 0.997,520 1.062,521 0.614,522 1.097,523 0.743,524 1.041,525 0.969,526 1.05,527 0.71,528 1.055,529 1.105,530 1.128,531 0.999,532 1.015,533 1.124,534 0.984,535 3.5,536 0.083,537 2,538 1.063,539 0.653,540 0.361,541 0.322,542 0.229,543 0.226,544 0.167,545 4751,546 15991,547 1.995,548 45,549 6,550 7,552 2,553 1,554 2,558 1.648,559 1.886,560 3.211,561 -0.354,563 1,565 1,567 60.76,568 1.519,569 3.421,570 4.265,571 4.753,572 4.922,573 4.922,574 2.665,575 3.789,576 4.423,577 3.396,578 784.574,579 7.619,580 8974.89,582 1,583 1,584 1,585 212.877,586 1.293,587 4.398,588 0.152,589 0.008,590 0.069,591 0.038,592 0.025,593 0.013,594 0.013,595 0.011,596 0.013,597 0.01,598 0.352,599 0.67,600 1,601 1.811,602 102.273,603 -0.042,604 -0.005,605 0.003,606 0.038,607 -0.045,608 0.03,609 0.119,610 -0.098,611 -0.049,612 -0.115,613 0.154,614 -0.118,615 -0.081,616 0.024,617 -0.032,618 0.06,619 -0.072,620 0.031,621 -0.066,622 0.035,623 -0.061,624 0.033,625 -0.079,626 -0.004,627 -0.021,628 -0.071,629 -0.067,630 -0.06,631 -0.045,632 -0.075,633 -0.032,634 -0.106,635 -0.078,636 -0.096,637 -0.019,638 -0.099,639 -0.012,640 -0.115,641 -0.004,642 -0.085,643 -0.012,644 -0.051,645 0.02,646 0.032,647 0.046,648 -0.043,649 -0.029,650 -0.001,651 2.435,652 5.093,653 0.545,654 19.653,655 1.006,656 1.125,657 3.312,658 10.967,659 0.668,660 3.178,661 3.401,662 3.555,663 3.738,664 3.932,665 3.871,666 3.932,667 3.932,668 3.85,669 3.664,670 5.83,671 0.639,672 299.37,673 3.178,674 4.654,675 5.442,676 6.267,677 7.083,678 7.918,679 8.748,680 9.59,681 10.427,682 11.273,683 2.5,693 1,699 8,700 1,704 3,706 12,723 1,724 40,726 14,727 1,728 23,730 41,731 18,733 11,734 2,735 4,736 2,739 2,740 2,751 4,753 14,754 4,756 2,761 1,763 1,765 2,769 1,770 1,772 18,773 4,774 1,775 4,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,838 1,840 22,845 1,846 4,861 1,862 5,864 1,865 1,869 11.667,870 6.96,871 5.056,872 2.455,874 2.087,875 1.337,876 0.931,877 5.995,878 8.28,879 3.466,880 3.97,881 4.443,882 4.949,883 5.467,884 5.539,885 5.872,886 6.093,887 6.246,888 6.35,889 1,890 28,891 8.112,893 3.327,894 8.061,895 15.22,897 11.943,899 2.561,900 56.333,904 200.109,905 114.154,906 16.786,908 67.828,909 14.96,911 114.154,912 267.937,913 31.746,915 10.138,916 66.334,917 109.066,918 36.773,919 14.96,920 176.567,922 200.109,923 130.94,924 82.788,927 215.069,928 67.828,931 28.233,932 76.445,933 26.262,935 215.069,936 84.614,937 114.154,940 200.109,941 29.726,942 84.429,944 99.574,945 200.109,946 99.574,947 114.154,949 0.555,950 0.295,951 0.155,952 0.089,953 11,954 5,955 0.171,956 7,958 1,959 3.48,960 154.951,962 12,963 94.107,968 16.066,969 8.209,970 5.2,972 99.574,973 13.645,974 4.124,978 1.621,980 42.683,981 413.837,982 31,987 10.512,989 2.062,991 0.221,994 40.222,995 44.994,996 0.285,997 0.643,998 0.801,999 0.893,1000 0.925,1001 0.925,1002 4.635,1003 1,1004 5.371,1005 2.376,1006 4.078,1007 4.654,1008 2.258,1009 6.066,1010 4.042,1011 5.801,1012 1,1013 6.853,1014 2.275,1015 3.434,1016 4.182,1017 2.243,1018 6.804,1019 3.366,1020 7.062,1021 0.502,1022 8.443,1023 2.136,1024 5.541,1025 6.726,1026 3.628,1027 9.884,1028 5.484,1029 8.36,1030 -0.142,1031 10.103,1032 1.12,1033 5.74,1034 7.068,1035 4.112,1036 11.574,1037 5.666,1038 9.69,1039 -0.396,1040 11.812,1041 -0.307,1042 7.292,1043 9.072,1044 5.201,1045 14.162,1046 7.224,1047 11.045,1048 -0.822,1049 13.558,1050 -0.882,1051 7.923,1052 9.833,1053 5.889,1054 16.235,1055 7.852,1056 12.419,1057 -1,1058 15.332,1059 -1.824,1060 9.221,1061 11.567,1062 6.849,1063 18.657,1064 9.151,1065 3.014,1066 -1,1067 17.128,1068 -2,1069 10.082,1070 12.57,1071 7.625,1072 20.88,1073 10.016,1074 2.442,1075 10.178,1076 18.94,1077 -2.347,1078 11.262,1079 14.15,1080 8.526,1081 23.24,1082 11.196,1083 2.235,1084 6.655,1085 20.765,1086 3.965,1087 12.243,1088 15.299,1089 9.342,1090 25.522,1091 12.182,1092 2.069,1093 5.684,1094 22.6,1095 3.446,1096 13.373,1097 16.791,1098 10.216,1099 27.858,1100 13.312,1101 1.679,1102 5.184,1103 24.442,1104 2.883,1105 14.415,1106 18.029,1107 11.051,1108 30.163,1109 14.357,1110 1.459,1111 3.809,1112 26.291,1113 2.71,1114 15.525,1115 19.469,1116 11.912,1117 32.49,1118 15.466,1119 1.039,1120 3.114,1121 28.145,1122 2.198,1123 16.596,1124 20.761,1125 12.755,1126 34.803,1127 16.54,1128 4859,1129 8992,1130 15.197,1131 26.705,1132 33.395,1133 33.766,1134 33.697,1135 32.976,1136 32.878,1137 43.802,1138 4.682,1139 85.061,1140 32.198,1141 5.236,1142 5.596,1143 6.301,1144 5.047,1145 5.014,1146 6.965,1147 3.925,1148 16.918,1149 5.006,1150 10.659,1151 1.452,1152 1.468,1153 1.465,1154 1.434,1155 1.429,1156 1.904,1157 0.204,1158 3.698,1159 1.4,1160 4,1161 4.028,1162 3.949,1163 3.941,1164 8.201,1165 3.939,1166 3.797,1167 3.834,1168 3.737,1169 3.704,1170 7.474,1171 3.706,1172 3.725,1173 3.775,1174 3.6,1175 3.586,1176 6.351,1177 3.578,1178 3.463,1179 3.496,1180 3.366,1181 3.301,1182 4.918,1183 3.307,1184 3.158,1185 3.191,1186 3.062,1187 2.971,1188 4.642,1189 2.985,1190 2.854,1191 2.925,1192 2.698,1193 2.735,1194 4.213,1195 2.715,1196 2.834,1197 2.893,1198 2.687,1199 2.63,1200 3.902,1201 2.624,1202 2.777,1203 2.853,1204 2.637,1205 2.588,1206 3.79,1207 2.604,1208 0.19,1209 0.156,1210 0.283,1211 0.174,1212 0.131,1213 4.378,1214 0.172,1215 3.596,1216 0.102,1217 6.499,1218 0.443,1219 4.011,1220 0.131,1221 3.014,1222 3.965,1223 2.341,1224 10.178,1225 3.006,1226 1.971,1227 1.948,1228 2.073,1229 2.051,1230 1.326,1231 2.058,1232 1.779,1233 1.745,1234 1.948,1235 1.897,1236 1.143,1237 1.911,1238 1.717,1239 1.665,1240 1.893,1241 1.886,1242 0.933,1243 1.894,1244 1.418,1245 1.378,1246 1.639,1247 1.623,1248 0.834,1249 1.622,1250 1.096,1251 1.06,1252 1.31,1253 1.321,1254 0.446,1255 1.31,1256 0.886,1257 0.821,1258 1.181,1259 1.065,1260 0.218,1261 1.107,1262 0.79,1263 0.73,1264 1.093,1265 1.062,1266 0.206,1267 1.072,1268 0.736,1269 0.682,1270 1.003,1271 0.986,1272 0.054,1273 1.001,1274 3.85,1276 5.094,1278 6.526,1280 8.049,1282 9.623,1286 13.093,1289 8.645,1290 2.411,1300 25.576,1301 60.76,1302 136.838,1303 170.612,1304 190.122,1305 196.877,1306 196.877,1307 47.273,1308 6.192,1309 50.19,1310 50.19,1311 12,1312 11.837,1313 3.907,1314 3.17,1315 42.078,1316 70,1317 86,1318 0.273,1319 161.212,1320 286.97,1321 385.116,1322 3097,1323 2.5,1324 15.786,1325 0.718,1326 0.555,1327 14.916,1328 12.205,1329 10.665,1330 0.464,1331 0.315,1332 7.177,1333 10.323,1334 7.041,1335 5.867,1336 10.271,1337 7.249,1338 9.114,1339 0.314,1340 0.173,1341 8.492,1342 5.006,1343 6.74,1344 0.198,1345 0.098,1346 6.33,1347 3.321,1348 5.242,1349 0.128,1350 0.054,1351 5.09,1352 2.221,1353 4.264,1354 0.085,1355 0.03,1356 4.034,1357 1.487,1358 0.426,1359 66.509,1360 0.257,1361 21.961,1362 0.754,1363 104,1364 373.641,1365 113.647,1366 337.507,1367 436.98,1368 312,1369 115,1370 298.113,1371 122.067,1372 297.724,1373 423.62,1374 280,1375 7.081} {0 CHEMBL98715,1 1.548,2 8.9,3 3.587,4 12.867,5 82.542,6 7.768,7 0.524,8 3.675,9 3.776,10 3.325,11 3.322,12 4.808,13 3.247,14 4.158,15 4.311,16 3.604,17 3.674,18 5.322,19 3.553,20 4.39,21 4.613,22 3.474,23 3.704,24 5.325,25 3.549,26 4.34,27 4.554,28 3.541,29 3.708,30 5.287,31 3.557,32 4.384,33 4.581,34 3.581,35 3.761,36 5.351,37 3.597,38 4.427,39 4.654,40 3.411,41 3.699,42 5.385,43 3.517,44 4.313,45 4.574,46 3.119,47 3.51,48 5.16,49 3.307,50 4.098,51 4.357,52 3.002,53 3.271,54 5.009,55 3.088,56 0.024,57 0.475,58 7.718,59 3.793,60 7.77,61 4.604,62 0.151,63 0.773,64 14.664,65 6.424,66 34.085,67 7.925,68 0.173,69 0.925,70 20.959,71 8.191,72 34.924,73 10.205,74 0.144,75 0.89,76 19.317,77 7.819,78 29.745,79 9.738,80 0.158,81 0.965,82 22.599,83 8.48,84 29.805,85 10.187,86 0.169,87 0.985,88 22.423,89 8.48,90 35.13,91 10.519,92 0.155,93 0.867,94 20.804,95 7.647,96 27.908,97 9.761,98 0.09,99 0.686,100 16.469,101 6.156,102 17.537,103 7.856,104 11,105 26,106 0.281,107 0.642,108 0.808,109 0.887,110 0.907,111 0.907,112 3.056,113 1.073,114 -3.75,115 -3.72,116 -3.53,118 43.2,120 4,133 1,134 1,140 4,141 1,143 2,149 1,150 1,154 1,163 1,167 1,168 9,169 1,172 3,175 1,177 1,180 11,181 1,186 3,191 1,194 11,195 1,198 2,203 1,206 11,207 1,210 4,215 1,218 10,219 1,222 3,227 1,229 7,230 1,234 2,239 1,242 5,243 1,247 2,252 1,255 2,256 3,259 3,260 1,264 3,268 2,270 612,271 13.656,272 13.656,273 13.656,274 13.656,275 13.656,276 11.918,277 5.568,278 8.69,279 13.929,280 10.415,281 10.415,282 10.415,283 10.415,284 10.415,285 7.922,286 1.893,287 4.171,288 10.839,289 3.662,290 1.676,291 0.757,292 0.324,293 0.216,294 0.216,295 3.718,298 1,299 1,300 1,301 367,302 3.464,305 62.988,306 74.192,313 1.23,314 15.421,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 42.5,326 178,327 4.375,328 3.596,329 6.499,330 3.982,331 3.011,332 3.954,333 2.341,334 10.176,335 2.928,336 3.748,337 3.028,338 5.254,339 3.24,340 2.29,341 3.313,343 6.425,344 2.222,345 3.55,346 2.291,347 4.659,348 3.227,349 2.234,350 2.711,352 5.184,353 2.132,354 3.257,355 1.985,356 4.228,357 2.76,358 1.788,359 2.535,361 4.052,362 1.731,363 2.758,364 1.614,365 3.645,366 2.511,367 1.532,368 1.817,370 3.163,371 1.492,372 2.581,373 1.307,374 3.481,375 2.153,376 1.184,377 1.592,379 2.648,380 1.141,381 2.5,382 1.129,383 3.247,384 1.956,385 1,386 1.5,388 2.136,389 0.953,390 2.292,391 1,392 3.191,393 1.889,394 0.912,395 1.16,397 1.996,398 0.88,399 2.118,400 0.678,401 3,402 1.465,403 0.618,404 0.927,406 1.372,407 0.507,408 1.622,409 0.618,410 2.752,411 1.348,412 0.373,413 0.453,415 0.86,416 0.36,417 0.912,418 0.363,419 2.192,420 0.697,421 -0.298,422 -0.324,424 -0.664,425 -0.292,426 0.616,427 -0.004,428 2.073,429 0.169,430 -0.807,431 -1.04,433 -1.788,434 -0.774,435 0.5,436 -0.703,437 1.555,438 0.004,439 -1,440 -1.225,442 -2,443 -0.955,444 0.402,445 -0.898,446 1.53,447 -0.026,448 -1,449 -1.443,451 -2.347,452 -0.975,453 0.142,454 -1,455 1.032,456 -0.146,457 -1.11,458 -1.5,460 -2.584,461 -1.114,462 9.9,463 0.495,464 0.315,465 0.016,466 24.5,467 1.225,468 13,469 0.65,470 11.5,471 0.575,472 15.223,473 0.761,474 21.3,475 0.576,476 14.863,477 0.743,478 4.699,479 0.235,480 5.072,481 0.254,482 0.067,484 0.202,487 0.75,488 1.024,489 0.778,490 0.887,491 0.7,492 0.91,493 0.469,494 1.072,495 0.965,496 1.046,497 0.401,498 1.07,499 0.889,500 0.912,501 0.964,502 0.916,503 0.911,504 0.956,505 0.809,506 0.896,507 0.898,508 0.875,509 0.813,510 0.929,511 0.83,512 1.142,513 1.271,514 1.217,515 0.823,516 1.123,517 0.867,518 1.112,519 1.156,520 1.115,521 0.792,522 1.144,523 0.7,524 0.978,525 1.078,526 1.044,527 0.638,528 1.062,529 0.662,530 1.041,531 0.949,532 1.059,533 0.655,534 1.026,535 2.5,536 0.077,537 1.556,538 0.84,539 0.431,540 0.282,541 0.185,542 0.099,543 0.163,544 0.121,545 3742,546 11784,547 2.024,548 45.9,549 6,550 5,551 1,552 2,553 1,554 2,558 1.619,559 1.935,560 3.107,561 -0.32,563 1,565 1,567 57.263,568 1.548,569 3.534,570 4.453,571 4.885,572 4.993,573 4.993,574 2.485,575 3.584,576 4.288,577 3.305,578 627.92,579 7.334,580 6717.79,581 1,582 1,583 1,584 1,585 192.75,586 1.157,587 4.273,588 0.119,589 0.009,590 0.06,591 0.037,592 0.018,593 0.012,594 0.009,595 0.007,596 0.013,597 0.009,598 0.291,599 0.67,600 1,601 1.845,602 89.879,603 -0.056,604 0.019,605 0.045,606 0.081,607 -0.048,608 0.044,609 0.189,610 -0.039,611 -0.033,612 -0.042,613 0.22,614 -0.096,615 -0.084,616 0.045,617 -0.027,618 0.053,619 -0.087,620 0.034,621 -0.061,622 0.072,623 0.04,624 0.103,625 -0.072,626 0.062,627 -0.079,628 -0.128,629 -0.149,630 -0.124,631 -0.104,632 -0.12,633 -0.101,634 -0.122,635 -0.165,636 -0.127,637 -0.073,638 -0.161,639 -0.043,640 -0.012,641 -0.101,642 -0.071,643 -0.039,644 -0.061,645 0.058,646 -0.098,647 0.02,648 -0.094,649 0.033,650 -0.024,651 2.389,652 3.483,653 0.55,654 16.46,655 0.997,656 1.112,657 2.524,658 6.368,659 0.693,660 3.091,661 3.296,662 3.466,663 3.664,664 3.714,665 3.689,666 3.714,667 3.664,668 3.555,669 3.296,670 5.524,671 0.645,672 287.41,673 3.091,674 4.554,675 5.342,676 6.163,677 6.978,678 7.812,679 8.64,680 9.48,681 10.315,682 11.16,683 2.7,693 1,699 7,700 1,703 1,704 2,706 11,724 37,726 13,728 21,730 38,731 16,733 9,736 2,739 2,740 2,751 4,753 12,754 4,756 2,761 1,763 1,765 2,768 1,769 1,772 17,773 3,774 1,775 4,776 1,779 1,784 1,785 2,795 1,801 1,802 1,818 1,822 1,823 1,830 1,832 2,834 1,840 20,845 1,846 4,856 1,862 5.4,864 1,865 1,869 10.333,870 6.4,871 4.639,872 2.267,874 1.882,875 1.316,876 0.933,877 5.783,878 7.838,879 3.384,880 3.866,881 4.345,882 4.861,883 5.161,884 5.317,885 5.619,886 5.778,887 5.88,888 5.88,889 0.833,890 23,891 7.361,893 2.968,894 7.825,895 14.123,897 11.121,899 2.325,900 46.5,901 0.001,904 188.338,905 123.18,906 16.786,908 67.828,910 31.278,911 91.903,912 256.166,913 16.786,915 10.138,916 55.03,917 109.066,918 24.466,919 13.13,920 184.302,922 188.338,923 108.688,924 67.828,925 31.278,927 188.338,928 67.828,931 28.233,932 54.193,933 26.262,934 31.278,935 188.338,936 84.614,937 123.18,940 188.338,941 50.055,942 73.125,944 84.614,945 188.338,946 84.614,947 123.18,949 0.548,950 0.295,951 0.162,952 0.08,953 10,954 4,955 0.184,956 7,958 1,959 3.342,960 134.408,962 11,963 86.439,964 1,968 14.766,969 7.833,970 4.771,972 84.614,973 13.807,974 4.169,977 1.704,978 2.324,980 42.683,981 396.132,982 28.5,987 10.483,989 2.185,991 0.461,994 36.902,995 41.159,996 0.297,997 0.678,998 0.855,999 0.938,1000 0.958,1001 0.958,1002 4.541,1003 0.912,1004 5.252,1005 2.136,1006 3.97,1007 4.549,1008 2.258,1009 5.943,1010 3.898,1011 5.691,1012 0.618,1013 6.725,1014 1.996,1015 3.219,1016 3.951,1017 2.243,1018 6.676,1019 3.134,1020 6.941,1021 0.373,1022 8.312,1023 1.372,1024 5.416,1025 6.595,1026 3.628,1027 9.793,1028 5.288,1029 8.233,1030 -0.298,1031 9.976,1032 0.86,1033 5.602,1034 6.938,1035 4.112,1036 11.523,1037 5.443,1038 9.562,1039 -0.807,1040 11.696,1041 -0.664,1042 7.171,1043 8.927,1044 5.201,1045 14.116,1046 6.991,1047 10.918,1048 -1,1049 13.456,1050 -1.788,1051 7.821,1052 9.735,1053 5.889,1054 16.213,1055 7.606,1056 12.297,1057 -1,1058 15.244,1059 -2,1060 9.118,1061 11.423,1062 6.849,1063 18.636,1064 8.886,1065 3.011,1066 -1.11,1067 17.054,1068 -2.347,1069 10.003,1070 12.48,1071 7.625,1072 20.869,1073 9.736,1074 2.29,1075 10.176,1076 18.879,1077 -2.584,1078 11.183,1079 14.016,1080 8.526,1081 23.23,1082 10.896,1083 2.234,1084 6.425,1085 20.715,1086 3.954,1087 12.182,1088 15.212,1089 9.342,1090 25.515,1091 11.864,1092 1.788,1093 5.184,1094 22.559,1095 3.313,1096 13.312,1097 16.67,1098 10.216,1099 27.853,1100 12.972,1101 1.532,1102 4.052,1103 24.409,1104 2.711,1105 14.366,1106 17.943,1107 11.051,1108 30.158,1109 13.996,1110 1.184,1111 3.163,1112 26.264,1113 2.535,1114 15.478,1115 19.36,1116 11.912,1117 32.485,1118 15.083,1119 1,1120 2.648,1121 28.123,1122 1.817,1123 16.557,1124 20.676,1125 12.755,1126 34.799,1127 16.133,1128 3818,1129 6847,1130 14.099,1131 25.654,1132 30.458,1133 30.378,1134 30.391,1135 29.827,1136 29.886,1137 39.925,1138 4.682,1139 76.024,1140 28.694,1141 5.233,1142 5.596,1143 6.301,1144 5.045,1145 5.011,1146 6.954,1147 3.925,1148 16.925,1149 4.886,1150 8.219,1151 1.45,1152 1.447,1153 1.447,1154 1.42,1155 1.423,1156 1.901,1157 0.223,1158 3.62,1159 1.366,1160 3.98,1161 4.002,1162 4.233,1163 3.983,1164 7.474,1165 3.932,1166 3.755,1167 3.788,1168 3.801,1169 3.717,1170 6.351,1171 3.682,1172 3.722,1173 3.762,1174 3.601,1175 3.587,1176 4.918,1177 3.576,1178 3.447,1179 3.481,1180 3.355,1181 3.285,1182 4.669,1183 3.287,1184 3.116,1185 3.152,1186 3.005,1187 2.933,1188 4.222,1189 2.942,1190 2.809,1191 2.877,1192 2.682,1193 2.622,1194 3.902,1195 2.62,1196 2.74,1197 2.823,1198 2.639,1199 2.499,1200 3.79,1201 2.513,1202 2.532,1203 2.615,1204 2.588,1205 2.376,1206 3.505,1207 2.335,1208 0.208,1209 0.171,1210 0.309,1211 0.19,1212 0.143,1213 4.375,1214 0.188,1215 3.596,1216 0.111,1217 6.499,1218 0.485,1219 3.982,1220 0.139,1221 3.011,1222 3.954,1223 2.341,1224 10.176,1225 2.928,1226 1.904,1227 1.877,1228 2.025,1229 1.999,1230 1.321,1231 2.01,1232 1.719,1233 1.667,1234 1.923,1235 1.886,1236 1.072,1237 1.902,1238 1.527,1239 1.494,1240 1.695,1241 1.667,1242 0.838,1243 1.674,1244 1.421,1245 1.394,1246 1.608,1247 1.557,1248 0.699,1249 1.58,1250 1.248,1251 1.232,1252 1.344,1253 1.37,1254 0.594,1255 1.408,1256 0.935,1257 0.906,1258 1.104,1259 1.128,1260 0.312,1261 1.163,1262 0.79,1263 0.729,1264 1.065,1265 1.003,1266 0.175,1267 1.04,1268 0.675,1269 0.594,1270 0.956,1271 0.93,1273 0.956,1274 3.761,1276 4.99,1277 2.398,1278 6.399,1279 4.443,1280 7.898,1281 6.293,1282 9.453,1289 8.628,1290 2.739,1300 23.853,1301 57.263,1302 130.75,1303 164.75,1304 180.75,1305 184.75,1306 184.75,1307 33.199,1308 5.956,1309 50.19,1310 78.43,1311 11,1312 11.724,1313 3.807,1314 3.087,1315 36.377,1316 61,1317 72,1318 0.274,1319 154.887,1320 267.45,1321 369.684,1322 2272,1324 14.209,1325 0.71,1326 0.599,1327 14.562,1328 11.975,1329 9.771,1330 0.465,1331 0.358,1332 6.665,1333 9.057,1334 6.44,1335 5.375,1336 10.225,1337 7.513,1338 8.138,1339 0.313,1340 0.209,1341 8.722,1342 5.424,1343 6.08,1344 0.196,1345 0.124,1346 6.745,1347 3.856,1348 4.914,1349 0.129,1350 0.073,1351 5.596,1352 2.771,1353 3.422,1354 0.086,1355 0.04,1356 3.8,1357 1.58,1358 0.429,1359 64.821,1360 0.266,1361 20.241,1362 0.752,1363 94,1364 280.391,1365 122.098,1366 294.442,1367 389.21,1368 274,1369 104,1370 255.179,1371 126.53,1372 274.351,1373 390.94,1374 258,1375 7.699} {0 CHEMBL98840,1 1.339,2 9.087,3 4.513,4 20.367,5 92.783,6 6.727,7 0.5,8 3.87,9 3.99,10 3.331,11 3.457,12 4.972,13 3.399,14 4.379,15 4.558,16 3.641,17 3.834,18 5.465,19 3.743,20 4.676,21 4.886,22 3.704,23 3.992,24 5.678,25 3.868,26 4.839,27 5.092,28 3.562,29 3.966,30 5.813,31 3.816,32 4.7,33 4.953,34 3.561,35 3.938,36 5.578,37 3.787,38 4.72,39 4.981,40 3.486,41 3.908,42 5.616,43 3.743,44 4.613,45 4.886,46 3.357,47 3.791,48 5.436,49 3.619,50 4.463,51 4.72,52 3.373,53 3.695,54 5.352,55 3.554,56 0.042,57 0.586,58 10.057,59 4.639,60 9.523,61 6.181,62 0.185,63 0.945,64 17.397,65 7.576,66 40.617,67 10.436,68 0.121,69 1.216,70 23.851,71 10.138,72 29.005,73 13.957,74 0.377,75 1.314,76 29.796,77 11.033,78 74.386,79 15.042,80 0.179,81 1.221,82 24.939,83 10.168,84 36.839,85 14.33,86 0.203,87 1.245,88 25.643,89 10.036,90 43.318,91 14.305,92 0.168,93 1.114,94 23.015,95 9.091,96 32.208,97 13.057,98 0.119,99 0.96,100 19.596,101 7.951,102 20.981,103 11.26,104 23,105 32,106 0.232,107 0.565,108 0.735,109 0.816,110 0.837,111 0.837,112 3.188,113 0.987,114 -4.62,115 -4.54,116 -4.27,118 43.5,119 2,120 3,122 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 17,169 1,172 3,175 1,177 1,180 20,181 3,186 5,191 3,194 19,195 1,198 3,203 1,206 18,207 1,210 4,215 1,218 17,219 1,222 4,227 1,229 14,230 1,234 3,239 1,242 12,243 2,247 3,252 2,255 10,256 3,259 5,260 1,264 3,267 7,268 3,270 833,271 15.181,272 15.181,273 15.181,274 15.181,275 15.181,276 13.352,277 7.993,278 9.226,279 15.251,280 11.827,281 11.827,282 11.827,283 11.827,284 11.827,285 9.223,286 7.648,287 4.334,288 11.926,289 4.184,290 2.258,291 1.275,292 0.805,293 0.685,294 0.685,295 3.848,299 1,300 1,301 427,302 4.123,306 174.797,313 1.221,314 17.991,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 48.5,326 209,327 4.407,328 3.979,329 7.206,330 4.332,331 3.331,332 3.943,333 2.341,334 11.924,335 3.327,336 4.368,337 3.024,338 6.498,339 4.004,340 3.006,341 3.522,343 10.173,344 3.001,345 3.736,346 2.577,347 5.247,348 3.27,349 2.278,350 3.298,352 6.4,353 2.259,354 3.278,355 2.278,356 4.407,357 2.792,358 1.802,359 2.58,361 4.063,362 1.782,363 2.872,364 1.94,365 4.211,366 2.567,367 1.57,368 1.908,370 3.506,371 1.555,372 2.781,373 1.578,374 3.59,375 2.324,376 1.318,377 1.856,379 2.913,380 1.309,381 2.669,382 1.317,383 3.555,384 2.299,385 1.317,386 1.645,388 2.88,389 1.289,390 2.5,391 1,392 3.272,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 1.956,403 1,404 1.5,406 2.136,407 0.954,408 2.173,409 0.889,410 3.247,411 1.806,412 0.809,413 1.046,415 1.94,416 0.805,417 1.246,418 0.46,419 2.849,420 1.135,421 0.138,422 0.15,424 0.326,425 0.137,426 0.719,427 0.294,428 2.244,429 0.318,430 -0.678,431 -0.784,433 -1.547,434 -0.668,435 0.691,436 -0.655,437 2.198,438 0.273,439 -0.705,440 -0.952,442 -1.601,443 -0.693,444 0.5,445 -0.705,446 2,448 -1,449 -1,451 -2,452 -0.961,453 0.5,454 -0.961,455 2,457 -1,458 -1.284,460 -2.347,461 -0.973,462 11.067,463 0.481,464 0.581,465 0.025,466 28,467 1.217,468 15,469 0.652,470 13,471 0.565,472 19.592,473 0.852,474 24.933,475 0.542,476 19.293,477 0.839,478 5.388,479 0.234,480 5.617,481 0.244,482 0.151,483 0.045,484 0.181,487 0.75,488 1.132,489 0.913,490 1.064,491 0.74,492 1.017,493 0.438,494 1.029,495 0.89,496 1.019,497 0.411,498 1.002,499 0.722,500 1.208,501 1.027,502 1.219,503 0.729,504 1.167,505 1.623,506 0.826,507 1.123,508 0.838,509 1.69,510 0.92,511 0.706,512 0.995,513 0.945,514 0.981,515 0.713,516 0.99,517 0.788,518 1.019,519 1.024,520 1.008,521 0.738,522 1.033,523 0.631,524 0.962,525 0.949,526 0.969,527 0.596,528 0.985,529 0.588,530 0.952,531 0.852,532 0.97,533 0.563,534 0.94,535 4.5,536 0.124,537 2.889,538 1.25,539 0.622,540 0.306,541 0.281,542 0.385,543 0.362,544 0.229,545 5260,546 13768,547 1.961,548 50,549 12,550 8,552 2,553 1,558 1.66,559 1.828,560 3.167,561 -0.412,567 61.603,568 1.339,569 3.265,570 4.248,571 4.719,572 4.839,573 4.839,574 2.436,575 3.48,576 4.497,577 3.356,578 849.014,579 7.755,580 10096.9,582 1,585 254.084,586 1.51,587 4.439,588 0.188,589 0.009,590 0.09,591 0.039,592 0.023,593 0.011,594 0.011,595 0.018,596 0.016,597 0.01,598 0.415,599 0.5,600 1,601 1.816,602 108.341,603 -0.042,604 -0.004,605 0.01,606 0.033,607 -0.066,608 0.026,609 0.21,610 0.045,611 0.04,612 0.032,613 0.214,614 0.022,615 0.013,616 -0.197,617 -0.086,618 -0.195,619 0.033,620 -0.158,621 -0.231,622 0.111,623 -0.104,624 0.122,625 -0.245,626 0.034,627 -0.024,628 -0.016,629 0.002,630 0.014,631 -0.04,632 0.01,633 -0.057,634 -0.03,635 -0.068,636 -0.035,637 -0.05,638 -0.05,639 -0.012,640 0.017,641 -0.001,642 0.004,643 -0.027,644 0.005,645 0.05,646 0.033,647 0.095,648 0.02,649 0.05,650 0.059,651 2.406,652 4.168,653 0.522,654 18.749,655 0.989,656 1.119,657 3.387,658 11.469,659 0.658,660 3.219,661 3.497,662 3.664,663 3.738,664 3.892,665 3.784,666 3.892,667 3.97,668 3.892,669 3.714,670 5.86,671 0.614,672 309.44,673 3.219,674 4.727,675 5.533,676 6.375,677 7.204,678 8.049,679 8.885,680 9.732,681 10.571,682 11.419,683 2.2,693 1,699 9,700 1,704 2,706 12,724 46,726 14,727 1,728 24,730 47,731 20,733 11,734 1,735 5,736 2,739 2,740 2,745 2,746 1,751 3,753 14,754 6,756 2,761 1,763 1,765 2,769 1,772 23,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 23,845 1,846 3,852 1,862 4.3,864 1,865 1,869 12.583,870 8.65,871 5.181,872 2.787,874 2.037,875 1.328,876 0.907,877 5.839,878 8.255,879 3.497,880 4.007,881 4.483,882 4.914,883 5.402,884 5.407,885 5.796,886 6.048,887 6.2,888 6.3,889 0.833,890 32,891 8.496,893 3.469,894 7.779,895 16.291,897 12.963,899 2.279,900 52.417,903 1,904 258.964,905 129.625,906 16.786,908 67.828,911 129.625,912 326.793,913 16.786,914 17.65,915 7.604,916 75.81,917 109.066,918 27.652,920 235.422,922 258.964,923 146.411,924 67.828,927 258.964,928 67.828,931 43.349,932 76.8,933 26.262,935 258.964,936 84.614,937 129.625,940 258.964,941 18.07,942 111.555,944 84.614,945 258.964,946 84.614,947 129.625,949 0.574,950 0.327,951 0.149,952 0.078,953 13,954 6,955 0.149,956 7,958 1,959 3.482,960 167.766,962 12,963 96.042,968 17.113,969 7.847,970 4.87,972 84.614,973 17.814,974 4.203,978 2.231,980 42.683,981 473.203,982 32,987 11.168,989 2.185,991 0.406,994 45.476,995 51.484,996 0.242,997 0.591,998 0.769,999 0.854,1000 0.876,1001 0.876,1002 4.7,1003 1,1004 5.533,1005 2.88,1006 4.174,1007 4.691,1008 2.258,1009 6.34,1010 4.161,1011 5.899,1012 1,1013 7.109,1014 2.136,1015 3.892,1016 4.331,1017 2.243,1018 7.624,1019 3.887,1020 7.197,1021 0.809,1022 8.818,1023 2.136,1024 5.82,1025 6.775,1026 3.628,1027 10.589,1028 5.804,1029 8.538,1030 0.138,1031 10.612,1032 1.94,1033 6.415,1034 7.211,1035 4.112,1036 12.691,1037 6.409,1038 9.914,1039 -0.678,1040 12.46,1041 0.326,1042 7.855,1043 9.145,1044 5.201,1045 15.272,1046 7.84,1047 11.317,1048 -0.705,1049 14.342,1050 -1.547,1051 8.805,1052 9.962,1053 5.889,1054 17.613,1055 8.796,1056 12.738,1057 -1,1058 16.246,1059 -1.601,1060 10.073,1061 11.648,1062 6.849,1063 20.098,1064 10.06,1065 3.331,1066 -1,1067 18.165,1068 -2,1069 11.163,1070 12.675,1071 7.625,1072 22.515,1073 11.153,1074 3.006,1075 11.924,1076 20.094,1077 -2.347,1078 12.373,1079 14.223,1080 8.526,1081 24.978,1082 12.359,1083 2.278,1084 10.173,1085 22.031,1086 3.943,1087 13.518,1088 15.376,1089 9.342,1090 27.423,1091 13.505,1092 1.802,1093 6.4,1094 23.974,1095 3.522,1096 14.709,1097 16.845,1098 10.216,1099 29.883,1100 14.694,1101 1.57,1102 4.063,1103 25.921,1104 3.298,1105 15.878,1106 18.076,1107 11.051,1108 32.34,1109 15.863,1110 1.318,1111 3.506,1112 27.871,1113 2.58,1114 17.064,1115 19.498,1116 11.912,1117 34.803,1118 17.048,1119 1.317,1120 2.913,1121 29.824,1122 1.908,1123 18.244,1124 20.778,1125 12.755,1126 37.266,1127 18.227,1128 5374,1129 8756,1130 15.485,1131 30.29,1132 35.901,1133 36.052,1134 35.992,1135 35.154,1136 35.14,1137 45.896,1138 4.682,1139 96.791,1140 34.836,1141 5.279,1142 5.979,1143 7.008,1144 5.367,1145 5.331,1146 6.943,1147 3.925,1148 18.658,1149 5.327,1150 12.177,1151 1.496,1152 1.502,1153 1.5,1154 1.465,1155 1.464,1156 1.912,1157 0.195,1158 4.033,1159 1.452,1160 3.999,1161 4.029,1162 3.941,1163 3.944,1164 7.473,1165 3.939,1166 3.819,1167 3.858,1168 3.718,1169 3.714,1170 6.351,1171 3.708,1172 3.787,1173 3.827,1174 3.713,1175 3.689,1176 4.924,1177 3.687,1178 3.515,1179 3.57,1180 3.387,1181 3.39,1182 4.74,1183 3.381,1184 3.152,1185 3.204,1186 3.036,1187 3.022,1188 4.28,1189 3.011,1190 3.027,1191 3.047,1192 2.857,1193 2.735,1194 4.14,1195 2.715,1196 2.874,1197 3.009,1198 2.687,1199 2.637,1200 3.811,1201 2.702,1202 2.854,1203 2.925,1204 2.629,1205 2.63,1206 3.722,1207 2.616,1208 0.184,1209 0.166,1210 0.3,1211 0.18,1212 0.139,1213 4.407,1214 0.164,1215 3.979,1216 0.098,1217 7.206,1218 0.497,1219 4.332,1220 0.139,1221 3.331,1222 3.943,1223 2.341,1224 11.924,1225 3.327,1226 1.976,1227 1.951,1228 2.087,1229 2.052,1230 1.361,1231 2.065,1232 1.809,1233 1.768,1234 2.007,1235 1.955,1236 1.172,1237 1.972,1238 1.778,1239 1.741,1240 1.91,1241 1.893,1242 0.984,1243 1.902,1244 1.519,1245 1.466,1246 1.768,1247 1.69,1248 0.917,1249 1.717,1250 1.159,1251 1.102,1252 1.419,1253 1.323,1254 0.57,1255 1.357,1256 0.934,1257 0.821,1258 1.417,1259 1.275,1260 0.469,1261 1.308,1262 0.886,1263 0.817,1264 1.181,1265 1.239,1266 0.319,1267 1.206,1268 0.837,1269 0.804,1270 1.159,1271 1.062,1272 0.218,1273 1.107,1274 3.892,1276 5.176,1278 6.661,1280 8.226,1282 9.829,1284 3.552,1289 9.182,1290 2.347,1296 -0.672,1300 28.246,1301 61.603,1302 150.194,1303 195.413,1304 217.064,1305 222.574,1306 222.574,1307 49.515,1308 6.219,1309 50.19,1310 50.19,1311 12,1312 11.98,1313 3.907,1314 3.17,1315 45.144,1316 77,1317 73,1318 0.273,1319 179.198,1320 315.5,1321 429.003,1322 3192,1324 16.709,1325 0.726,1326 0.596,1327 16.709,1328 13.697,1329 11.005,1330 0.459,1331 0.329,1332 7.853,1333 10.793,1334 7.548,1335 6.375,1336 11.005,1337 7.899,1338 9.849,1339 0.308,1340 0.197,1341 9.849,1342 6.307,1343 7.682,1344 0.202,1345 0.105,1346 7.682,1347 3.991,1348 5.23,1349 0.128,1350 0.059,1351 5.23,1352 2.439,1353 4.14,1354 0.086,1355 0.033,1356 4.14,1357 1.596,1358 0.427,1359 67.684,1360 0.254,1361 22.679,1362 0.753,1363 112,1364 293.53,1365 117.816,1366 291.67,1367 388.99,1368 270,1369 126,1370 274.779,1371 131.485,1372 285.323,1373 405.5,1374 266,1375 7.523} {0 CHEMBL98845,1 1.317,2 9.962,3 5.095,4 25.958,5 105.681,6 6.814,7 0.429,8 3.986,9 4.102,10 3.47,11 3.596,12 5.047,13 3.54,14 4.516,15 4.685,16 3.762,17 3.989,18 5.565,19 3.89,20 4.811,21 5.046,22 3.767,23 4.1,24 5.69,25 3.963,26 4.812,27 5.04,28 3.803,29 4.086,30 5.759,31 3.964,32 4.895,33 5.114,34 3.814,35 4.121,36 5.897,37 3.996,38 4.948,39 5.206,40 3.625,41 4.082,42 5.871,43 3.913,44 4.803,45 5.093,46 3.451,47 3.941,48 5.565,49 3.75,50 4.599,51 4.878,52 3.444,53 3.789,54 5.417,55 3.637,56 0.046,57 0.647,58 11.061,59 5.171,60 9.24,61 6.869,62 0.189,63 1.079,64 19.585,65 8.735,66 38.314,67 11.966,68 0.173,69 1.378,70 27.544,71 11.643,72 31.511,73 16.129,74 0.193,75 1.365,76 27.736,77 11.462,78 37.351,79 15.689,80 0.284,81 1.461,82 30.577,83 12.056,84 52.908,85 16.221,86 0.346,87 1.534,88 32.893,89 12.493,90 67.537,91 17.284,92 0.198,93 1.351,94 28.128,95 11.254,96 36.584,97 16.161,98 0.143,99 1.098,100 22.756,101 9.227,102 25.025,103 13.12,104 6,105 36,106 0.221,107 0.553,108 0.735,109 0.855,110 0.887,111 0.887,112 3.304,113 1,114 -5.2,115 -5.09,116 -4.76,118 45.1,120 6,121 1,133 2,134 2,140 7,141 2,143 2,154 1,163 1,167 1,168 21,169 1,172 3,175 1,177 1,180 25,181 2,186 4,191 2,194 22,195 3,198 5,203 3,206 21,207 3,210 6,215 3,218 20,219 1,222 4,227 1,229 17,230 1,234 3,239 1,242 14,243 2,247 3,252 2,255 13,256 3,259 4,260 1,264 3,267 14,268 3,270 1042,271 17.933,272 17.933,273 17.933,274 17.933,275 17.933,276 15.829,277 10.358,278 11.16,279 18.003,280 13.86,281 13.86,282 13.86,283 13.86,284 13.86,285 10.824,286 8.182,287 5.286,288 13.959,289 4.356,290 2.379,291 1.298,292 0.579,293 0.392,294 0.392,295 3.987,299 1,300 1,301 551,302 3.808,305 88.057,306 199.654,313 1.284,314 20.096,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 54.5,326 259,327 4.369,328 3.819,329 6.498,330 4.005,331 3.007,332 3.943,333 2.403,334 10.173,335 3.002,336 4.175,337 3.024,338 6.403,339 3.957,340 2.956,341 3.42,342 0.745,343 9.736,344 2.953,345 3.736,346 2.939,347 5.247,348 3.27,349 2.278,350 3.298,352 6.4,353 2.259,354 3.453,355 2.278,356 4.943,357 3.107,358 2.104,359 2.602,361 5.451,362 2.098,363 3.278,364 2.02,365 4.223,366 2.792,367 1.802,368 2.578,370 4.056,371 1.782,372 2.781,373 1.842,374 3.827,375 2.554,376 1.559,377 1.908,379 3.305,380 1.545,381 2.76,382 1.574,383 3.555,384 2.301,385 1.317,386 1.777,388 2.88,389 1.294,390 2.502,391 1.317,392 3.551,393 2.232,394 1.23,395 1.5,397 2.713,398 1.223,399 2.5,400 1.205,401 3.335,402 2,403 1,404 1.5,406 2.178,407 1,408 2.5,409 1,410 3.247,411 1.957,412 1,413 1.43,415 2.136,416 0.955,417 2.199,418 1,419 3.247,420 1.925,421 0.928,422 1.12,424 2.136,425 0.924,426 1.856,427 0.891,428 3,429 1.618,430 0.618,431 0.677,433 1.372,434 0.618,435 1.631,436 0.706,437 3,438 1.481,439 0.481,440 0.56,442 1.186,443 0.479,444 1.08,445 0.431,446 2.519,447 0.901,448 -0.1,449 -0.11,451 -0.235,452 -0.099,453 0.719,454 0.163,455 2.198,456 0.279,457 -0.705,458 -0.92,460 -1.547,461 -0.687,462 12.567,463 0.483,464 0.418,465 0.016,466 31,467 1.192,468 16,469 0.615,470 15,471 0.577,472 22.63,473 0.87,474 27.633,475 0.542,476 21.42,477 0.824,478 5.901,479 0.227,480 6.853,481 0.264,482 0.053,484 0.239,487 0.738,488 1.074,489 0.888,490 1.014,491 0.69,492 0.975,493 0.449,494 1.121,495 0.998,496 1.124,497 0.416,498 1.115,499 0.735,500 1.012,501 0.949,502 1.022,503 0.765,504 1.011,505 0.966,506 1.021,507 0.958,508 1.023,509 0.992,510 0.997,511 1.458,512 1.094,513 1.151,514 1.084,515 1.54,516 1.091,517 1.371,518 0.964,519 1.159,520 0.964,521 1.343,522 1.029,523 0.584,524 0.921,525 0.914,526 0.932,527 0.55,528 0.949,529 0.559,530 0.839,531 0.763,532 0.852,533 0.554,534 0.827,535 3,536 0.097,537 2.444,538 1.528,539 0.782,540 0.434,541 0.173,542 0.239,543 0.331,544 0.199,545 8145,546 19246,547 2.082,548 49,549 12,550 9,552 2,553 1,554 1,558 1.693,559 2,560 3.286,561 -0.446,567 67.155,568 1.317,569 3.294,570 4.375,571 5.094,572 5.28,573 5.28,574 2.536,575 3.624,576 4.677,577 3.481,578 1131.45,579 8.111,580 14876.4,582 1,585 289.294,586 1.14,587 4.655,588 0.107,589 0.003,590 0.068,591 0.044,592 0.022,593 0.012,594 0.006,595 0.01,596 0.013,597 0.007,598 0.292,599 0.5,600 1,601 0.646,602 128.256,603 -0.038,604 0.021,605 0.024,606 0.052,607 -0.025,608 0.044,609 0.18,610 -0.065,611 -0.078,612 -0.09,613 0.186,614 -0.105,615 -0.005,616 -0.032,617 0.003,618 -0.02,619 -0.015,620 -0.01,621 -0.015,622 -0.042,623 0.013,624 -0.028,625 -0.02,626 -0.008,627 -0.14,628 -0.116,629 -0.149,630 -0.104,631 -0.177,632 -0.126,633 -0.183,634 0.005,635 -0.154,636 -0.006,637 -0.157,638 -0.068,639 0.012,640 0.04,641 0.046,642 0.036,643 -0.004,644 0.045,645 0.08,646 0.124,647 0.2,648 0.126,649 0.053,650 0.171,651 2.349,652 4.593,653 0.654,654 21.621,655 0.987,656 1.116,657 3.968,658 15.742,659 0.668,660 3.367,661 3.611,662 3.85,663 4.06,664 4.127,665 4.043,666 4.078,667 4.078,668 4.111,669 4.078,670 6.436,671 0.623,672 347.49,673 3.367,674 4.86,675 5.68,676 6.521,677 7.358,678 8.205,679 9.047,680 9.896,681 10.74,682 11.59,683 2,693 1,699 9,700 1,704 2,706 12,724 51,726 15,727 1,728 28,730 53,731 23,733 11,734 1,735 5,736 2,739 3,740 3,748 3,751 6,753 16,754 7,755 1,756 3,761 1,763 2,765 3,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,801 1,802 2,818 1,822 2,823 2,830 1,832 3,840 26,845 1,846 6,850 1,862 3.9,864 1,865 1,869 13,870 8.817,871 5.944,872 3.308,874 2.055,875 1.311,876 0.949,877 6.516,878 8.663,879 3.638,880 4.127,881 4.62,882 5.107,883 5.501,884 5.501,885 5.855,886 6.075,887 6.276,888 6.439,889 1,890 35,891 9.648,893 4.018,894 7.679,895 18.78,897 15.414,899 2.179,900 56.667,903 1,904 282.506,905 132.24,906 16.786,908 67.828,911 132.24,912 350.335,913 16.786,915 15.207,916 85.286,917 109.066,918 30.837,920 258.964,922 282.506,923 149.026,924 67.828,927 282.506,928 67.828,931 33.302,932 79.986,933 35.738,935 282.506,936 84.614,937 132.24,940 282.506,941 28.859,942 103.381,944 84.614,945 282.506,946 84.614,947 132.24,949 0.558,950 0.326,951 0.184,952 0.09,953 15,954 6,955 0.151,956 8,958 1,959 3.882,960 204.919,962 17,963 118.211,968 18.29,969 9.263,970 5.005,972 84.614,973 17.941,974 4.237,978 2.251,980 42.683,981 499.361,982 37,987 11.593,989 4.341,991 1.598,994 50.36,995 56.9,996 0.232,997 0.581,998 0.771,999 0.898,1000 0.931,1001 0.931,1002 4.828,1003 1.23,1004 5.609,1005 2.88,1006 4.29,1007 4.812,1008 2.435,1009 6.354,1010 4.279,1011 5.983,1012 1,1013 7.12,1014 2.713,1015 3.611,1016 4.248,1017 2.243,1018 7.186,1019 3.604,1020 7.246,1021 1,1022 8.746,1023 2.178,1024 5.796,1025 6.847,1026 3.772,1027 10.303,1028 5.78,1029 8.549,1030 0.928,1031 10.446,1032 2.136,1033 6.066,1034 7.166,1035 4.213,1036 12.065,1037 6.058,1038 9.889,1039 0.618,1040 12.197,1041 2.136,1042 7.618,1043 9.166,1044 5.371,1045 14.65,1046 7.601,1047 11.255,1048 0.481,1049 13.981,1050 1.372,1051 8.33,1052 9.914,1053 6.06,1054 16.745,1055 8.319,1056 12.64,1057 -0.1,1058 15.788,1059 1.186,1060 9.617,1061 11.632,1062 7.062,1063 19.154,1064 9.6,1065 3.007,1066 -0.705,1067 17.61,1068 -0.235,1069 10.536,1070 12.621,1071 7.854,1072 21.375,1073 10.523,1074 2.956,1075 10.173,1076 19.444,1077 -1.547,1078 11.711,1079 14.186,1080 8.788,1081 23.721,1082 11.693,1083 2.278,1084 9.736,1085 21.285,1086 3.943,1087 12.725,1088 15.319,1089 9.626,1090 25.99,1091 12.709,1092 2.104,1093 6.4,1094 23.131,1095 3.42,1096 13.852,1097 16.798,1098 10.529,1099 28.312,1100 13.833,1101 1.802,1102 5.451,1103 24.982,1104 3.298,1105 14.909,1106 18.019,1107 11.387,1108 30.601,1109 14.891,1110 1.559,1111 4.056,1112 26.836,1113 2.602,1114 16.016,1115 19.448,1116 12.276,1117 32.913,1118 15.995,1119 1.317,1120 3.305,1121 28.693,1122 2.578,1123 17.093,1124 20.724,1125 13.144,1126 35.212,1127 17.072,1128 7882,1129 12207,1130 19.068,1131 34.052,1132 41.123,1133 41.43,1134 41.292,1135 40.58,1136 40.563,1137 52.625,1138 6.296,1139 107.447,1140 40.262,1141 5.303,1142 5.819,1143 6.3,1144 5.041,1145 5.007,1146 6.943,1147 4.048,1148 16.907,1149 5.002,1150 9.302,1151 1.469,1152 1.48,1153 1.475,1154 1.449,1155 1.449,1156 1.879,1157 0.225,1158 3.837,1159 1.438,1160 4.007,1161 4.038,1162 3.945,1163 3.949,1164 7.474,1165 3.944,1166 3.917,1167 3.953,1168 3.827,1169 3.837,1170 6.351,1171 3.829,1172 3.788,1173 3.828,1174 3.716,1175 3.703,1176 4.924,1177 3.701,1178 3.638,1179 3.697,1180 3.494,1181 3.518,1182 4.74,1183 3.503,1184 3.425,1185 3.454,1186 3.331,1187 3.265,1188 4.446,1189 3.269,1190 3.15,1191 3.184,1192 3.035,1193 2.974,1194 4.238,1195 2.982,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.879,1201 2.715,1202 2.844,1203 2.898,1204 2.675,1205 2.631,1206 3.788,1207 2.626,1208 0.156,1209 0.136,1210 0.232,1211 0.143,1212 0.107,1213 4.369,1214 0.141,1215 3.819,1216 0.086,1217 6.498,1218 0.363,1219 4.005,1220 0.107,1221 3.007,1222 3.943,1223 2.403,1224 10.173,1225 3.002,1226 1.975,1227 1.951,1228 2.084,1229 2.051,1230 1.359,1231 2.063,1232 1.8,1233 1.765,1234 1.976,1235 1.927,1236 1.185,1237 1.942,1238 1.776,1239 1.741,1240 1.907,1241 1.893,1242 1.146,1243 1.901,1244 1.546,1245 1.496,1246 1.823,1247 1.714,1248 1.003,1249 1.755,1250 1.539,1251 1.47,1252 1.753,1253 1.689,1254 0.927,1255 1.712,1256 1.254,1257 1.206,1258 1.491,1259 1.441,1260 0.695,1261 1.448,1262 1.053,1263 1.029,1264 1.266,1265 1.319,1266 0.417,1267 1.296,1268 0.886,1269 0.821,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 4.043,1276 5.303,1277 2.398,1278 6.758,1279 4.443,1280 8.302,1281 6.293,1282 9.894,1289 9.534,1290 5.488,1294 -0.315,1300 31.773,1301 67.155,1302 167.973,1303 223.113,1304 259.784,1305 269.294,1306 269.294,1307 48.801,1308 6.608,1309 50.19,1310 50.19,1311 17,1312 12.149,1313 4,1314 3.322,1315 44.248,1316 101,1317 78,1318 0.209,1319 197.654,1320 352.4,1321 474.037,1322 5561,1324 18.192,1325 0.7,1326 0.576,1327 18.192,1328 14.974,1329 12.754,1330 0.456,1331 0.333,1332 9.285,1333 12.538,1334 9.085,1335 7.562,1336 12.754,1337 9.332,1338 10.697,1339 0.297,1340 0.187,1341 10.697,1342 6.719,1343 8.697,1344 0.189,1345 0.107,1346 8.697,1347 4.925,1348 7.24,1349 0.127,1350 0.063,1351 7.24,1352 3.59,1353 5.215,1354 0.085,1355 0.036,1356 5.215,1357 2.195,1358 0.33,1359 78.179,1360 0.229,1361 25.29,1362 0.567,1363 128,1364 321.53,1365 133.816,1366 318.97,1367 431.2,1368 298,1369 146,1370 306.779,1371 150.821,1372 315.273,1373 453.56,1374 298,1375 7.222} {0 CHEMBL98901,1 1.382,2 9.28,3 3.588,4 12.873,5 99.112,6 6.789,7 0.462,8 3.96,9 4.076,10 3.417,11 3.518,12 5.082,13 3.469,14 4.472,15 4.643,16 3.749,17 3.894,18 5.606,19 3.816,20 4.8,21 5.005,22 3.795,23 4.065,24 5.816,25 3.954,26 4.927,27 5.17,28 3.833,29 4.079,30 6.059,31 3.952,32 4.923,33 5.153,34 3.687,35 4.056,36 5.969,37 3.921,38 4.872,39 5.144,40 3.576,41 4.007,42 5.762,43 3.836,44 4.746,45 5.029,46 3.422,47 3.871,48 5.572,49 3.691,50 4.55,51 4.817,52 3.459,53 3.733,54 5.439,55 3.6,56 0.051,57 0.642,58 11.04,59 5.067,60 14.675,61 6.618,62 0.18,63 1.027,64 19.118,65 8.235,66 45.853,67 11.168,68 0.265,69 1.323,70 27.695,71 10.947,72 59.275,73 14.752,74 0.474,75 1.441,76 32.212,77 12.154,78 97.753,79 16.883,80 0.474,81 1.415,82 32.533,83 11.616,84 97.161,85 15.71,86 0.273,87 1.399,88 30.287,89 11.444,90 58.122,91 16.436,92 0.215,93 1.231,94 26.656,95 10.177,96 43.5,97 14.746,98 0.139,99 1.016,100 21.68,101 8.454,102 26.672,103 12.039,104 35,105 35,106 0.235,107 0.582,108 0.76,109 0.834,110 0.852,111 0.852,112 3.266,113 0.981,114 -4.03,115 -3.98,116 -3.77,118 42,119 2,120 3,121 1,129 1,133 1,134 1,140 7,141 2,143 2,154 1,163 1,167 1,168 15,169 1,172 3,175 1,177 4,180 20,181 1,186 3,191 2,192 1,194 19,195 3,198 5,201 1,202 1,203 4,206 18,207 1,210 4,215 2,218 17,219 1,222 4,227 2,229 14,230 1,234 3,239 2,242 10,243 2,247 3,252 4,255 8,256 3,259 3,260 1,264 6,267 7,268 3,270 968,271 16.336,272 16.336,273 16.336,274 16.336,275 16.336,276 14.492,277 8.53,278 9.949,279 16.456,280 12.85,281 12.85,282 12.85,283 12.85,284 12.85,285 10.233,286 6.217,287 4.694,288 13.041,289 4.262,290 2.22,291 1.173,292 0.74,293 0.63,294 0.63,295 3.927,298 1,299 1,300 1,301 471,302 4.472,306 195.165,313 1.309,314 26.125,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 53.5,326 232,327 4.388,328 3.864,329 7.222,330 4.327,331 3.356,332 3.943,333 2.341,334 12.07,335 3.249,336 4.368,337 3.215,338 6.498,339 4.004,340 3.006,341 3.443,343 10.173,344 3.001,345 3.736,346 3.024,347 5.247,348 3.27,349 2.278,350 3.298,352 6.4,353 2.259,354 3.431,355 2.278,356 5.239,357 3.163,358 2.176,359 2.58,361 6.127,362 2.122,363 3.278,364 1.993,365 4.223,366 2.792,367 1.802,368 2.526,370 4.056,371 1.782,372 2.781,373 1.686,374 3.819,375 2.55,376 1.556,377 1.908,379 3.29,380 1.542,381 2.75,382 1.44,383 3.555,384 2.3,385 1.317,386 1.77,388 2.88,389 1.293,390 2.5,391 1.317,392 3.506,393 2.036,394 1.039,395 1.5,397 2.453,398 1.03,399 2.5,400 1,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.418,409 1,410 3.247,411 1.956,412 1,413 1.322,415 2.136,416 0.953,417 1.806,418 0.79,419 3.212,420 1.551,421 0.554,422 0.663,424 1.382,425 0.548,426 1.076,427 0.434,428 2.763,429 0.916,430 -0.082,431 -0.089,433 -0.194,434 -0.081,435 0.719,436 0.159,437 2.198,438 0.279,439 -0.705,440 -0.941,442 -1.547,443 -0.687,444 0.626,445 -0.455,446 2.186,447 0.206,448 -0.787,449 -0.952,451 -1.813,452 -0.774,453 0.5,454 -0.692,455 2,457 -1,458 -1,460 -2,461 -0.86,462 11.9,463 0.476,464 0.693,465 0.028,466 29.25,467 1.17,468 15,469 0.6,470 14.25,471 0.57,472 22.904,473 0.916,474 27.7,475 0.554,476 21.516,477 0.861,478 5.662,479 0.226,480 6.23,481 0.249,482 0.168,483 0.042,484 0.21,487 0.836,488 1.134,489 0.922,490 1.068,491 0.844,492 1.018,493 0.538,494 1.116,495 0.885,496 1.102,497 0.497,498 1.048,499 1.141,500 1.072,501 1.112,502 1.082,503 1.158,504 1.095,505 0.796,506 0.975,507 0.902,508 0.982,509 0.807,510 0.963,511 1.576,512 0.938,513 1.245,514 0.935,515 1.665,516 1.034,517 0.713,518 0.973,519 0.971,520 0.968,521 0.666,522 0.997,523 0.566,524 0.951,525 0.91,526 0.96,527 0.557,528 0.975,529 0.55,530 0.906,531 0.749,532 0.914,533 0.555,534 0.863,535 5,536 0.199,537 2.889,538 2.125,539 0.702,540 0.361,541 0.24,542 0.323,543 0.461,544 0.329,545 6570,546 17894,547 1.941,548 50,549 6,550 8,552 2,553 2,554 1,555 6,558 1.683,559 1.796,560 3.154,561 0.194,563 1,567 69.103,568 1.382,569 3.424,570 4.47,571 4.903,572 5.014,573 5.014,574 2.423,575 3.574,576 4.621,577 3.406,578 1021.67,579 8,580 13072.5,582 1,584 1,585 282.193,586 1.583,587 4.551,588 0.192,589 0.008,590 0.083,591 0.061,592 0.02,593 0.012,594 0.009,595 0.014,596 0.018,597 0.011,598 0.428,599 0.33,600 1,601 1.87,602 121.411,603 -0.075,604 0.027,605 -0.005,606 0.062,607 -0.112,608 0.04,609 0.159,610 -0.018,611 0.039,612 -0.027,613 0.181,614 -0.011,615 -0.131,616 -0.058,617 -0.143,618 -0.06,619 -0.159,620 -0.098,621 0.177,622 -0.014,623 0.076,624 0.003,625 0.189,626 0.023,627 -0.263,628 0.025,629 -0.229,630 0.033,631 -0.285,632 -0.078,633 -0.036,634 0.001,635 -0.023,636 0.004,637 -0.018,638 -0.005,639 0.008,640 0.016,641 0.028,642 0.011,643 -0.015,644 0.022,645 0.075,646 0.07,647 0.194,648 0.073,649 0.052,650 0.143,651 2.618,652 4.334,653 0.48,654 20.451,655 0.994,656 1.122,657 2.802,658 7.85,659 0.65,660 3.296,661 3.584,662 3.738,663 3.912,664 3.932,665 3.829,666 3.912,667 4.007,668 4.043,669 3.892,670 6.199,671 0.61,672 339.47,673 3.296,674 4.812,675 5.617,676 6.475,677 7.298,678 8.161,679 8.989,680 9.853,681 10.684,682 11.548,683 2,693 1,699 9,700 1,704 2,706 12,724 50,726 14,727 1,728 26,730 51,731 21,733 11,734 1,735 5,736 2,739 2,740 2,745 2,751 3,753 14,754 7,755 2,756 2,761 1,763 1,765 2,768 1,769 1,772 25,773 4,774 2,775 4,779 1,784 1,785 3,788 1,795 1,802 2,818 1,822 1,823 1,830 2,832 2,836 2,840 25,845 2,846 3,850 1,852 1,862 6,863 1,864 1,865 1,869 13.917,870 9.183,871 5.583,872 2.983,874 1.996,875 1.314,876 0.876,877 6.632,878 8.343,879 3.555,880 4.06,881 4.505,882 4.992,883 5.411,884 5.411,885 5.802,886 6.048,887 6.236,888 6.349,889 0.833,890 35,891 9.286,893 3.878,894 7.89,895 17.565,897 14.057,899 2.39,900 59.75,902 1,903 1,904 270.735,905 129.625,906 16.786,908 110.512,911 129.625,912 381.247,913 16.786,914 17.65,915 7.604,916 118.493,917 109.066,918 27.652,920 247.193,922 270.735,923 146.411,924 110.512,927 200.109,928 138.455,929 42.683,931 43.349,932 76.8,933 26.262,935 270.735,936 127.297,937 129.625,940 270.735,941 18.07,942 111.555,944 127.297,945 270.735,946 127.297,947 129.625,949 0.574,950 0.317,951 0.17,952 0.076,953 14,954 7,955 0.157,956 8,958 1,959 3.619,960 189.323,962 12,963 110.096,968 19.045,969 8.706,970 5.631,972 127.297,973 17.561,974 4.191,978 2.138,980 85.367,981 527.658,982 34,987 11.334,989 2.121,991 0.135,994 49.687,995 56.109,996 0.245,997 0.607,998 0.792,999 0.869,1000 0.888,1001 0.888,1002 4.771,1003 1.039,1004 5.624,1005 2.88,1006 4.263,1007 4.745,1008 2.258,1009 6.441,1010 4.233,1011 5.967,1012 1,1013 7.198,1014 2.453,1015 4.007,1016 4.407,1017 2.243,1018 7.673,1019 3.935,1020 7.264,1021 1,1022 8.902,1023 2.136,1024 5.905,1025 6.804,1026 3.628,1027 10.676,1028 5.841,1029 8.598,1030 0.554,1031 10.688,1032 2.136,1033 6.494,1034 7.226,1035 4.112,1036 12.732,1037 6.382,1038 9.966,1039 -0.082,1040 12.527,1041 1.382,1042 7.925,1043 9.146,1044 5.201,1045 15.35,1046 7.811,1047 11.359,1048 -0.705,1049 14.4,1050 -0.194,1051 8.868,1052 9.942,1053 5.889,1054 17.673,1055 8.711,1056 12.77,1057 -0.787,1058 16.297,1059 -1.547,1060 10.136,1061 11.628,1062 6.849,1063 20.185,1064 9.964,1065 3.356,1066 -1,1067 18.21,1068 -1.813,1069 11.225,1070 12.639,1071 7.625,1072 22.602,1073 11.016,1074 3.006,1075 12.07,1076 20.135,1077 -2,1078 12.438,1079 14.19,1080 8.526,1081 25.085,1082 12.206,1083 2.278,1084 10.173,1085 22.068,1086 3.943,1087 13.588,1088 15.333,1089 9.342,1090 27.537,1091 13.321,1092 2.176,1093 6.4,1094 24.009,1095 3.443,1096 14.784,1097 16.805,1098 10.216,1099 30.014,1100 14.489,1101 1.802,1102 6.127,1103 25.954,1104 3.298,1105 15.959,1106 18.031,1107 11.051,1108 32.481,1109 15.63,1110 1.556,1111 4.056,1112 27.904,1113 2.58,1114 17.153,1115 19.457,1116 11.912,1117 34.959,1118 16.792,1119 1.317,1120 3.29,1121 29.858,1122 2.526,1123 18.34,1124 20.735,1125 12.755,1126 37.435,1127 17.945,1128 6707,1129 11130,1130 16.583,1131 32.506,1132 39.142,1133 39.026,1134 38.94,1135 38.236,1136 38.169,1137 48.906,1138 4.682,1139 106.205,1140 37.56,1141 5.278,1142 5.864,1143 7.024,1144 5.362,1145 5.356,1146 6.943,1147 3.925,1148 19.343,1149 5.249,1150 14.32,1151 1.505,1152 1.501,1153 1.498,1154 1.471,1155 1.468,1156 1.881,1157 0.18,1158 4.085,1159 1.445,1160 4,1161 4.03,1162 3.942,1163 3.944,1164 7.474,1165 3.94,1166 3.836,1167 3.87,1168 3.74,1169 3.716,1170 6.448,1171 3.713,1172 3.787,1173 3.827,1174 3.716,1175 3.693,1176 6.35,1177 3.694,1178 3.555,1179 3.615,1180 3.411,1181 3.428,1182 4.924,1183 3.416,1184 3.318,1185 3.355,1186 3.198,1187 3.134,1188 4.74,1189 3.128,1190 3.149,1191 3.176,1192 3.035,1193 2.925,1194 4.252,1195 2.953,1196 2.874,1197 3.009,1198 2.687,1199 2.735,1200 4.044,1201 2.715,1202 2.854,1203 2.925,1204 2.633,1205 2.631,1206 3.838,1207 2.621,1208 0.169,1209 0.149,1210 0.278,1211 0.166,1212 0.129,1213 4.388,1214 0.152,1215 3.864,1216 0.09,1217 7.222,1218 0.464,1219 4.327,1220 0.125,1221 3.356,1222 3.943,1223 2.341,1224 12.07,1225 3.249,1226 1.975,1227 1.951,1228 2.085,1229 2.052,1230 1.369,1231 2.064,1232 1.81,1233 1.773,1234 2.001,1235 1.967,1236 1.182,1237 1.976,1238 1.779,1239 1.743,1240 1.911,1241 1.893,1242 1.029,1243 1.902,1244 1.564,1245 1.508,1246 1.818,1247 1.739,1248 0.93,1249 1.77,1250 1.28,1251 1.227,1252 1.534,1253 1.509,1254 0.703,1255 1.504,1256 1.064,1257 1.036,1258 1.417,1259 1.319,1260 0.469,1261 1.308,1262 0.934,1263 0.821,1264 1.281,1265 1.239,1266 0.418,1267 1.303,1268 0.886,1269 0.804,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 3.97,1276 5.263,1278 6.746,1280 8.316,1282 9.929,1284 3.097,1289 19.298,1290 1.862,1294 -0.764,1296 -1.221,1300 30.487,1301 69.103,1302 171.216,1303 223.522,1304 245.173,1305 250.683,1306 250.683,1307 67.095,1308 6.347,1309 70.42,1310 70.42,1311 12,1312 12.102,1313 3.907,1314 3.17,1315 51.524,1316 92,1317 70,1318 0.267,1319 192.787,1320 341.59,1321 462.159,1322 3778,1324 18.286,1325 0.731,1326 0.589,1327 18.286,1328 14.722,1329 11.893,1330 0.457,1331 0.327,1332 8.443,1333 11.606,1334 8.145,1335 6.841,1336 11.893,1337 8.505,1338 10.961,1339 0.313,1340 0.191,1341 10.961,1342 6.701,1343 7.73,1344 0.189,1345 0.104,1346 7.73,1347 4.254,1348 6.492,1349 0.132,1350 0.059,1351 6.492,1352 2.889,1353 4.322,1354 0.086,1355 0.035,1356 4.322,1357 1.728,1358 0.42,1359 73.512,1360 0.246,1361 24.346,1362 0.731,1363 122,1364 335.68,1365 130.584,1366 329.699,1367 434.51,1368 304,1369 137,1370 303.81,1371 143.814,1372 312.512,1373 444.36,1374 292,1375 7.377} {0 CHEMBL98941,1 1.42,2 8.75,3 2.601,4 6.767,5 63.612,6 6.646,7 0.375,8 3.535,9 3.658,10 2.968,11 3.064,12 4.654,13 3.013,14 4.034,15 4.228,16 3.193,17 3.385,18 5.183,19 3.285,20 4.271,21 4.511,22 3.115,23 3.47,24 5.211,25 3.328,26 4.263,27 4.521,28 2.976,29 3.402,30 5.154,31 3.233,32 4.248,33 4.534,34 2.844,35 3.302,36 5.103,37 3.123,38 4.085,39 4.361,40 2.694,41 3.145,42 5.001,43 2.967,44 3.918,45 4.207,46 2.57,47 2.974,48 4.772,49 2.802,50 3.738,51 4.015,52 2.576,53 2.784,54 4.749,55 2.658,56 0.028,57 0.43,58 7.356,59 3.26,60 7.271,61 4.376,62 0.161,63 0.654,64 12.628,65 5.091,66 34.166,67 7.171,68 0.156,69 0.758,70 16.392,71 6.21,72 32.886,73 8.804,74 0.145,75 0.735,76 16.287,77 6.084,78 31.38,79 8.765,80 0.182,81 0.696,82 16.311,83 5.633,84 34.854,85 8.31,86 0.15,87 0.586,88 13.816,89 4.849,90 31.447,91 7.054,92 0.113,93 0.495,94 11.628,95 4.066,96 21.378,97 6.006,98 0.072,99 0.411,100 9.695,101 3.273,102 15.022,103 4.827,104 17,105 19,106 0.271,107 0.628,108 0.807,109 0.864,110 0.888,111 0.888,112 2.848,113 1.029,114 -3.15,115 -3.14,116 -3.02,118 39.4,119 1,120 4,133 1,134 1,140 2,141 1,143 2,154 1,163 1,167 1,168 9,169 1,172 3,175 1,177 1,180 9,181 1,186 3,191 1,194 8,195 1,198 3,203 1,206 7,207 1,210 2,215 1,218 5,219 1,222 2,227 1,229 4,230 1,234 2,239 1,242 2,243 2,247 3,252 2,255 1,256 1,259 1,260 1,264 1,268 1,270 286,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.355,277 6.425,278 6.791,279 10.658,280 7.911,281 7.911,282 7.911,283 7.911,284 7.911,285 6.186,286 2.933,287 3.265,288 8.01,289 3.624,290 1.747,291 0.811,292 0.508,293 0.387,294 0.387,295 3.477,299 1,300 1,301 275,302 3.391,306 60.388,313 1.406,314 14.073,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 34.5,326 140,327 4.166,328 3.596,329 6.018,330 3.779,331 2.783,332 3.707,333 2.341,334 8.537,335 2.772,336 3.55,337 2.903,338 4.659,339 3.24,340 2.235,341 2.712,343 5.184,344 2.222,345 3.356,346 2.051,347 4.322,348 2.858,349 1.877,350 2.655,352 4.311,353 1.841,354 2.758,355 1.709,356 3.636,357 2.532,358 1.543,359 1.809,361 3.159,362 1.521,363 2.5,364 1.307,365 3.385,366 2.101,367 1.115,368 1.5,370 2.502,371 1.097,372 2.479,373 1.022,374 3.247,375 1.956,376 1,377 1.435,379 2.136,380 0.953,381 1.722,382 1,383 2.776,384 1.613,385 0.613,386 0.655,388 1.272,389 0.61,390 0.978,391 0.573,392 2.192,393 0.793,394 -0.211,395 -0.226,397 -0.449,398 -0.21,399 0.647,400 0.105,401 1.669,402 0.22,403 -0.747,404 -0.964,406 -1.606,407 -0.718,408 0.5,409 -0.606,410 1.555,411 0.055,412 -1,413 -1.074,415 -2,416 -0.926,417 0.458,418 -0.703,419 1.323,420 -0.026,421 -1,422 -1.415,424 -2.264,425 -0.974,426 0.18,427 -1,428 1,429 -0.065,430 -1,431 -1.5,433 -2.347,434 -1.048,435 -0.374,436 -1.177,437 1,438 -0.514,439 -1.507,440 -1.834,442 -3.599,443 -1.507,444 -0.5,445 -1.649,446 0.793,447 -0.757,448 -1.751,449 -1.964,451 -4.172,452 -1.747,453 -0.564,454 -1.83,455 0.227,456 -0.95,457 -1.949,458 -2.497,459 -0.757,460 -4.789,461 -1.932,462 7.567,463 0.473,464 0.302,465 0.019,466 18,467 1.125,468 9,469 0.563,470 9,471 0.563,472 11.63,473 0.727,474 18.233,475 0.553,476 10.462,477 0.654,478 3.578,479 0.224,480 4.121,481 0.258,482 0.154,484 0.198,487 0.766,488 1.273,489 0.933,490 1.175,491 0.719,492 1.095,493 0.439,494 1.171,495 0.941,496 1.158,497 0.381,498 1.124,499 0.875,500 1.039,501 1.035,502 1.045,503 0.913,504 1.065,505 0.769,506 1.093,507 1.038,508 1.103,509 0.789,510 1.114,511 0.851,512 0.879,513 0.985,514 0.913,515 0.829,516 0.956,517 0.915,518 0.967,519 1.031,520 0.999,521 0.896,522 1.028,523 0.741,524 0.912,525 0.89,526 0.925,527 0.729,528 0.926,529 0.775,530 1.018,531 0.78,532 0.998,533 0.731,534 0.897,535 2.5,536 0.037,537 1.333,538 0.688,539 0.351,540 0.264,541 0.101,542 0.106,543 0.082,544 0.066,545 2058,546 6273,547 1.895,548 51.5,549 9,550 3,552 2,553 1,554 2,558 1.541,559 1.778,560 3.142,561 -0.291,563 1,564 1,565 1,567 46.872,568 1.42,569 3.297,570 4.234,571 4.537,572 4.658,573 4.658,574 2.561,575 3.328,576 3.971,577 3.29,578 394.768,579 6.638,580 3657.34,582 1,584 1,585 166.465,586 1.329,587 3.929,588 0.156,589 0.007,590 0.07,591 0.04,592 0.025,593 0.022,594 0.01,595 0.012,596 0.009,597 0.009,598 0.362,599 0.83,600 1,601 2.453,602 67.393,603 -0.056,604 -0.058,605 -0.01,606 0.001,607 -0.05,608 -0.001,609 0.22,610 -0.066,611 -0.019,612 -0.081,613 0.246,614 -0.083,615 -0.086,616 -0.049,617 -0.097,618 -0.033,619 -0.098,620 -0.064,621 -0.051,622 -0.13,623 -0.109,624 -0.112,625 -0.073,626 -0.12,627 -0.069,628 0.056,629 -0.038,630 0.024,631 -0.08,632 0.004,633 -0.075,634 -0.04,635 -0.08,636 -0.049,637 -0.057,638 -0.063,639 -0.007,640 0.009,641 0.052,642 0.016,643 -0.021,644 0.041,645 0.074,646 -0.086,647 0.182,648 -0.065,649 0.091,650 0.06,651 2.382,652 3.294,653 0.375,654 11.859,655 0.995,656 1.128,657 1.917,658 3.674,659 0.637,660 2.833,661 2.996,662 3.045,663 3.091,664 3.135,665 2.89,666 2.833,667 2.708,668 2.565,669 2.398,670 5.366,671 0.596,672 219.31,673 2.833,674 4.263,675 5.004,676 5.784,677 6.547,678 7.332,679 8.106,680 8.895,681 9.674,682 10.466,683 3,693 1,699 4,700 1,704 1,706 6,724 33,726 8,728 16,730 33,731 13,733 5,736 2,739 1,740 1,745 1,751 4,753 8,754 5,756 2,761 1,763 1,765 2,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,822 1,823 1,830 1,832 1,836 1,840 16,845 1,846 4,862 6.1,864 1,865 1,869 9,870 5.983,871 3.778,872 2.051,874 1.618,875 1.305,876 0.881,877 5.446,878 6.927,879 3.091,880 3.512,881 3.845,882 4.229,883 4.624,884 4.432,885 4.657,886 4.523,887 4.523,888 4.523,889 0.833,890 17,891 5.879,893 2.276,894 7.938,895 11.196,897 8.426,899 2.438,900 39,901 0.002,904 188.338,905 72.768,906 16.786,908 67.828,911 72.768,912 256.166,913 16.786,914 8.825,915 10.138,916 28.429,917 109.066,918 24.466,920 164.795,922 188.338,923 89.553,924 67.828,927 188.338,928 67.828,931 37.058,932 26.234,933 26.262,935 188.338,936 84.614,937 72.768,940 188.338,941 17.419,942 55.349,944 84.614,945 188.338,946 84.614,947 72.768,949 0.545,950 0.279,951 0.133,952 0.067,953 6,954 3,955 0.182,956 6,958 1,959 2.941,960 88.041,962 6,963 64,968 12.601,969 6.915,970 5.274,972 84.614,973 7.528,974 4.055,978 1.126,980 42.683,981 345.719,982 21,987 10.294,989 2.138,991 0.483,994 32.825,995 37.239,996 0.282,997 0.654,998 0.839,999 0.899,1000 0.923,1001 0.923,1002 4.227,1003 -0.211,1004 4.905,1005 1.272,1006 3.664,1007 4.19,1008 2.258,1009 5.509,1010 3.641,1011 5.362,1012 -0.747,1013 6.34,1014 -0.449,1015 2.944,1016 3.651,1017 2.243,1018 6.071,1019 2.932,1020 6.598,1021 -1,1022 7.883,1023 -1.606,1024 5.043,1025 6.155,1026 3.628,1027 9.084,1028 5.009,1029 7.868,1030 -1,1031 9.494,1032 -2,1033 5.142,1034 6.41,1035 4.112,1036 10.584,1037 5.124,1038 9.17,1039 -1,1040 11.154,1041 -2.264,1042 6.701,1043 8.41,1044 5.201,1045 13.072,1046 6.658,1047 10.495,1048 -1.507,1049 12.849,1050 -2.347,1051 7.225,1052 9.074,1053 5.889,1054 14.949,1055 7.199,1056 11.838,1057 -1.751,1058 14.57,1059 -3.599,1060 8.516,1061 10.814,1062 6.849,1063 17.239,1064 8.469,1065 2.783,1066 -1.949,1067 16.311,1068 -4.172,1069 9.272,1070 11.719,1071 7.625,1072 19.271,1073 9.238,1074 2.235,1075 8.537,1076 18.066,1077 -4.789,1078 10.427,1079 13.305,1080 8.526,1081 21.479,1082 10.375,1083 1.877,1084 5.184,1085 19.831,1086 3.707,1087 11.309,1088 14.359,1089 9.342,1090 23.575,1091 11.265,1092 1.543,1093 4.311,1094 21.603,1095 2.712,1096 12.396,1097 15.847,1098 10.216,1099 25.748,1100 12.339,1101 1.115,1102 3.159,1103 23.381,1104 2.655,1105 13.344,1106 16.994,1107 11.051,1108 27.871,1109 13.291,1110 1,1111 2.502,1112 25.164,1113 1.809,1114 14.397,1115 18.42,1116 11.912,1117 30.029,1118 14.334,1119 0.613,1120 2.136,1121 26.949,1122 1.5,1123 15.381,1124 19.626,1125 12.755,1126 32.163,1127 15.319,1128 2210,1129 3918,1130 10.227,1131 21.006,1132 22.688,1133 23.02,1134 22.834,1135 22.334,1136 22.331,1137 28.947,1138 4.682,1139 54.203,1140 22.03,1141 5.023,1142 5.596,1143 5.82,1144 4.815,1145 4.783,1146 6.707,1147 3.925,1148 14.413,1149 4.725,1150 8.337,1151 1.418,1152 1.439,1153 1.427,1154 1.396,1155 1.396,1156 1.809,1157 0.293,1158 3.388,1159 1.377,1160 3.928,1161 3.966,1162 3.861,1163 3.846,1164 7.474,1165 3.844,1166 3.728,1167 3.778,1168 3.605,1169 3.592,1170 6.351,1171 3.584,1172 3.514,1173 3.557,1174 3.408,1175 3.362,1176 4.91,1177 3.363,1178 3.251,1179 3.305,1180 3.096,1181 3.035,1182 4.353,1183 3.04,1184 2.875,1185 2.954,1186 2.642,1187 2.639,1188 3.967,1189 2.623,1190 2.787,1191 2.866,1192 2.618,1193 2.594,1194 3.798,1195 2.592,1196 2.693,1197 2.778,1198 2.518,1199 2.48,1200 3.526,1201 2.487,1202 2.45,1203 2.556,1204 2.137,1205 2.147,1206 3.472,1207 2.136,1208 0.26,1209 0.225,1210 0.376,1211 0.236,1212 0.174,1213 4.166,1214 0.232,1215 3.596,1216 0.146,1217 6.018,1218 0.534,1219 3.779,1220 0.173,1221 2.783,1222 3.707,1223 2.341,1224 8.537,1225 2.772,1226 1.902,1227 1.868,1228 2.044,1229 2.009,1230 1.322,1231 2.021,1232 1.718,1233 1.667,1234 1.928,1235 1.886,1236 1.078,1237 1.902,1238 1.489,1239 1.442,1240 1.718,1241 1.677,1242 0.839,1243 1.688,1244 1.212,1245 1.153,1246 1.53,1247 1.473,1248 0.667,1249 1.488,1250 0.842,1251 0.761,1252 1.192,1253 1.166,1254 0.31,1255 1.174,1256 0.79,1257 0.727,1258 1.086,1259 1.005,1260 0.17,1261 1.038,1262 0.664,1263 0.58,1264 0.963,1265 0.928,1267 0.948,1268 0.428,1269 0.334,1270 0.849,1271 0.795,1273 0.831,1274 3.497,1276 4.691,1278 6.061,1280 7.512,1282 9.006,1284 2.05,1289 8.476,1290 2.851,1300 19.665,1301 46.872,1302 108.802,1303 139.71,1304 149.71,1305 153.71,1306 153.71,1307 30.502,1308 5.308,1309 50.19,1310 50.19,1311 6,1312 11.073,1313 3.17,1314 2.585,1315 34.96,1316 51,1317 44,1318 0.335,1319 128.227,1320 225.58,1321 304.635,1322 1054,1324 11.803,1325 0.738,1326 0.595,1327 11.803,1328 9.518,1329 7.698,1330 0.481,1331 0.343,1332 5.442,1333 7.475,1334 5.269,1335 4.451,1336 7.698,1337 5.489,1338 6.407,1339 0.337,1340 0.198,1341 6.407,1342 3.768,1343 4.396,1344 0.22,1345 0.121,1346 4.396,1347 2.412,1348 3.135,1349 0.149,1350 0.069,1351 3.135,1352 1.453,1353 2.235,1354 0.102,1355 0.04,1356 2.235,1357 0.875,1358 0.541,1359 47.845,1360 0.313,1361 16.954,1362 0.867,1363 70,1364 219.53,1365 75.816,1366 212.682,1367 273.36,1368 196,1369 74,1370 182.779,1371 78.157,1372 186.674,1373 259.44,1374 174,1375 7.149} {0 CHEMBL98952,1 1.336,2 9.208,3 4.608,4 21.234,5 97.209,6 6.839,7 0.48,8 3.891,9 4.008,10 3.366,11 3.488,12 5.021,13 3.432,14 4.38,15 4.553,16 3.645,17 3.844,18 5.492,19 3.752,20 4.658,21 4.871,22 3.704,23 3.993,24 5.635,25 3.873,26 4.763,27 4.997,28 3.706,29 4.003,30 5.8,31 3.874,32 4.803,33 5.032,34 3.628,35 4.002,36 5.821,37 3.863,38 4.783,39 5.051,40 3.525,41 3.961,42 5.67,43 3.791,44 4.674,45 4.955,46 3.366,47 3.829,48 5.494,49 3.648,50 4.481,51 4.752,52 3.365,53 3.685,54 5.354,55 3.541,56 0.041,57 0.59,58 10.031,59 4.671,60 10.213,61 6.184,62 0.181,63 0.942,64 17.135,65 7.537,66 38.265,67 10.319,68 0.145,69 1.193,70 23.339,71 9.935,72 32.244,73 13.61,74 0.19,75 1.288,76 26.557,77 10.819,78 52.377,79 14.851,80 0.327,81 1.317,82 28.261,83 10.827,84 69.978,85 14.579,86 0.214,87 1.332,88 27.437,89 10.832,90 47.356,91 15.389,92 0.179,93 1.188,94 24.656,95 9.778,96 36.811,97 14.023,98 0.128,99 0.975,100 20.158,101 8.114,102 22.838,103 11.513,104 26,105 32,106 0.229,107 0.581,108 0.778,109 0.856,110 0.877,111 0.877,112 3.228,113 0.976,114 -4.76,115 -4.68,116 -4.39,118 44.7,119 1,120 3,121 1,132 1,133 1,134 2,140 7,141 2,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 21,181 2,186 4,191 2,194 20,195 3,198 5,203 3,206 19,207 1,210 4,215 1,218 18,219 1,222 4,227 1,229 15,230 1,234 3,239 1,242 12,243 2,247 3,252 2,255 11,256 3,259 4,260 1,264 3,267 10,268 3,270 914,271 16.071,272 16.071,273 16.071,274 16.071,275 16.071,276 14.045,277 8.09,278 9.94,279 16.141,280 12.34,281 12.34,282 12.34,283 12.34,284 12.34,285 9.441,286 5.567,287 4.672,288 12.439,289 4.219,290 2.168,291 1.019,292 0.559,293 0.442,294 0.442,295 3.891,299 1,300 1,301 450,302 4.123,306 185.063,313 1.292,314 19.66,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 50.5,326 221,327 4.369,328 3.805,329 6.498,330 4.005,331 3.006,332 3.943,333 2.403,334 10.173,335 3.002,336 4.072,337 3.024,338 6.273,339 3.877,340 2.875,341 3.298,342 0.745,343 9.105,344 2.871,345 3.736,346 2.738,347 5.247,348 3.27,349 2.278,350 3.271,352 6.4,353 2.259,354 3.278,355 2.278,356 4.414,357 2.792,358 1.803,359 2.58,361 4.056,362 1.783,363 3.214,364 1.969,365 4.223,366 2.738,367 1.732,368 2.303,370 4,371 1.722,372 2.781,373 1.629,374 3.738,375 2.541,376 1.548,377 1.908,379 3.245,380 1.535,381 2.745,382 1.328,383 3.555,384 2.3,385 1.317,386 1.764,388 2.88,389 1.293,390 2.5,391 1.317,392 3.41,393 2,394 1,395 1.5,397 2.339,398 1,399 2.5,400 1,401 3.247,402 1.999,403 1,404 1.5,406 2.136,407 0.995,408 2.407,409 1,410 3.247,411 1.956,412 1,413 1.295,415 2.136,416 0.953,417 1.815,418 0.782,419 3,420 1.51,421 0.511,422 0.62,424 1.229,425 0.508,426 1.098,427 0.435,428 2.416,429 0.897,430 -0.104,431 -0.114,433 -0.238,434 -0.103,435 0.719,436 0.177,437 2.198,438 0.279,439 -0.705,440 -0.943,442 -1.547,443 -0.687,444 0.645,445 -0.632,446 1.895,447 0.205,448 -0.789,449 -0.952,451 -1.798,452 -0.778,453 0.5,454 -0.705,455 1.586,457 -1,458 -1.303,460 -2,461 -0.97,462 11.567,463 0.482,464 0.494,465 0.021,466 29.5,467 1.229,468 16,469 0.667,470 13.5,471 0.563,472 19.377,473 0.807,474 25.633,475 0.545,476 21.363,477 0.89,478 5.927,479 0.247,480 5.665,481 0.236,482 0.144,484 0.259,487 0.751,488 1.103,489 0.898,490 1.037,491 0.766,492 0.993,493 0.454,494 1.072,495 0.938,496 1.065,497 0.432,498 1.052,499 0.792,500 1.064,501 0.992,502 1.073,503 0.866,504 1.058,505 0.943,506 1.037,507 0.968,508 1.043,509 0.896,510 1.016,511 1.575,512 0.979,513 1.208,514 0.974,515 1.625,516 1.047,517 0.759,518 0.994,519 1.005,520 0.988,521 0.701,522 1.014,523 0.611,524 0.948,525 0.941,526 0.959,527 0.586,528 0.977,529 0.58,530 0.864,531 0.778,532 0.877,533 0.567,534 0.848,535 3.5,536 0.149,537 2.444,538 1.75,539 0.622,540 0.306,541 0.199,542 0.26,543 0.362,544 0.249,545 5957,546 15820,547 1.972,548 48.9,549 9,550 10,552 2,553 1,554 1,558 1.672,559 1.846,560 3.171,561 -0.424,567 62.785,568 1.336,569 3.387,570 4.535,571 4.996,572 5.113,573 5.113,574 2.444,575 2.84,576 4.559,577 3.397,578 937.499,579 7.88,580 11638.8,582 1,585 261.066,586 1.384,587 4.513,588 0.14,589 0.007,590 0.076,591 0.053,592 0.019,593 0.011,594 0.008,595 0.012,596 0.016,597 0.01,598 0.352,599 0.5,600 1,601 1.876,602 115.073,603 -0.042,604 -0.002,605 0.009,606 0.032,607 -0.079,608 0.025,609 0.204,610 -0.012,611 -0.018,612 -0.032,613 0.196,614 -0.044,615 -0.03,616 -0.065,617 -0.048,618 -0.06,619 -0.063,620 -0.057,621 -0.014,622 -0.068,623 0.001,624 -0.052,625 0.056,626 -0.028,627 -0.238,628 -0.011,629 -0.202,630 -0.002,631 -0.269,632 -0.087,633 -0.045,634 -0.015,635 -0.044,636 -0.018,637 -0.029,638 -0.029,639 -0.001,640 0.02,641 0.015,642 0.01,643 -0.022,644 0.015,645 0.071,646 0.104,647 0.181,648 0.102,649 0.056,650 0.149,651 2.456,652 4.227,653 0.5,654 20.25,655 0.989,656 1.117,657 3.534,658 12.489,659 0.666,660 3.258,661 3.497,662 3.689,663 3.85,664 3.912,665 3.807,666 3.892,667 3.97,668 3.97,669 3.807,670 6.093,671 0.622,672 321.45,673 3.258,674 4.745,675 5.549,676 6.382,677 7.204,678 8.043,679 8.872,680 9.714,681 10.546,682 11.39,683 2.1,693 1,699 9,700 1,704 2,706 12,724 47,726 15,727 1,728 25,730 48,731 21,733 11,734 1,735 5,736 2,739 2,740 2,745 1,751 3,753 16,754 5,755 1,756 3,757 1,761 1,763 1,765 3,769 1,772 23,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,820 1,822 1,823 2,830 1,832 2,836 1,840 24,845 1,846 3,850 1,862 4.3,864 1,865 1,869 13,870 8.483,871 5.528,872 2.808,874 2.059,875 1.328,876 0.921,877 6.655,878 8.343,879 3.555,880 4.043,881 4.505,882 4.992,883 5.411,884 5.411,885 5.802,886 6.048,887 6.236,888 6.349,889 0.833,890 33,891 8.854,893 3.59,894 7.799,895 16.908,897 13.318,899 2.299,900 55.167,903 1,904 258.964,905 139.753,906 16.786,908 67.828,911 139.753,912 326.793,913 16.786,914 8.825,915 23.371,916 75.81,917 109.066,918 30.837,920 235.422,922 258.964,923 156.538,924 67.828,927 258.964,928 67.828,931 34.524,932 95.753,933 26.262,935 258.964,936 84.614,937 139.753,940 258.964,941 21.256,942 102.73,944 100.381,945 258.964,946 84.614,947 139.753,949 0.561,950 0.321,951 0.172,952 0.079,953 12,954 6,955 0.167,956 8,958 1,959 3.593,960 176.548,962 12,963 106.039,968 17.841,969 8.952,970 5.277,972 84.614,973 17.757,974 4.204,978 2.207,980 42.683,981 483.331,982 34,983 3.781,987 11.227,989 2.17,991 1.051,994 46.476,995 52.484,996 0.24,997 0.61,998 0.816,999 0.899,1000 0.92,1001 0.92,1002 4.736,1003 1,1004 5.493,1005 2.88,1006 4.174,1007 4.727,1008 2.435,1009 6.232,1010 4.161,1011 5.904,1012 1,1013 7.011,1014 2.339,1015 3.611,1016 4.248,1017 2.243,1018 7.091,1019 3.604,1020 7.17,1021 1,1022 8.644,1023 2.136,1024 5.68,1025 6.766,1026 3.772,1027 10.169,1028 5.662,1029 8.472,1030 0.511,1031 10.348,1032 2.136,1033 5.994,1034 7.102,1035 4.213,1036 11.922,1037 5.985,1038 9.809,1039 -0.104,1040 12.1,1041 1.229,1042 7.505,1043 9.088,1044 5.371,1045 14.49,1046 7.485,1047 11.169,1048 -0.705,1049 13.884,1050 -0.238,1051 8.23,1052 9.836,1053 6.06,1054 16.57,1055 8.219,1056 12.55,1057 -0.789,1058 15.689,1059 -1.547,1060 9.5,1061 11.559,1062 7.062,1063 18.966,1064 9.48,1065 3.006,1066 -1,1067 17.508,1068 -1.798,1069 10.42,1070 12.544,1071 7.854,1072 21.174,1073 10.405,1074 2.875,1075 10.173,1076 19.338,1077 -2,1078 11.584,1079 14.119,1080 8.788,1081 23.508,1082 11.563,1083 2.278,1084 9.105,1085 21.175,1086 3.943,1087 12.593,1088 15.249,1089 9.626,1090 25.769,1091 12.575,1092 1.803,1093 6.4,1094 23.017,1095 3.298,1096 13.711,1097 16.736,1098 10.529,1099 28.082,1100 13.689,1101 1.732,1102 4.056,1103 24.863,1104 3.271,1105 14.762,1106 17.957,1107 11.387,1108 30.366,1109 14.741,1110 1.548,1111 4,1112 26.712,1113 2.58,1114 15.861,1115 19.394,1116 12.276,1117 32.673,1118 15.837,1119 1.317,1120 3.245,1121 28.563,1122 2.303,1123 16.93,1124 20.672,1125 13.144,1126 34.968,1127 16.907,1128 6076,1129 9966,1130 16.296,1131 31.29,1132 36.915,1133 36.869,1134 37.381,1135 36.15,1136 36.142,1137 47.962,1138 6.296,1139 95.399,1140 35.841,1141 5.248,1142 5.805,1143 6.3,1144 5.041,1145 5.006,1146 6.943,1147 4.048,1148 16.907,1149 5.002,1150 12.656,1151 1.477,1152 1.475,1153 1.495,1154 1.446,1155 1.446,1156 1.918,1157 0.252,1158 3.816,1159 1.434,1160 3.999,1161 4.029,1162 3.941,1163 3.944,1164 7.474,1165 3.939,1166 3.819,1167 3.856,1168 3.724,1169 3.72,1170 6.351,1171 3.714,1172 3.787,1173 3.827,1174 3.715,1175 3.696,1176 4.924,1177 3.695,1178 3.541,1179 3.6,1180 3.404,1181 3.429,1182 4.741,1183 3.415,1184 3.291,1185 3.334,1186 3.168,1187 3.13,1188 4.675,1189 3.121,1190 3.148,1191 3.175,1192 3.034,1193 2.921,1194 4.242,1195 2.949,1196 2.854,1197 2.925,1198 2.687,1199 2.735,1200 3.874,1201 2.715,1202 2.81,1203 2.889,1204 2.632,1205 2.631,1206 3.787,1207 2.621,1208 0.175,1209 0.152,1210 0.26,1211 0.16,1212 0.12,1213 4.369,1214 0.158,1215 3.805,1216 0.096,1217 6.498,1218 0.407,1219 4.005,1220 0.12,1221 3.006,1222 3.943,1223 2.403,1224 10.173,1225 3.002,1226 1.975,1227 1.951,1228 2.085,1229 2.051,1230 1.344,1231 2.063,1232 1.81,1233 1.772,1234 1.994,1235 1.943,1236 1.161,1237 1.96,1238 1.779,1239 1.742,1240 1.91,1241 1.893,1242 0.966,1243 1.902,1244 1.559,1245 1.503,1246 1.802,1247 1.715,1248 0.91,1249 1.748,1250 1.269,1251 1.215,1252 1.526,1253 1.485,1254 0.659,1255 1.488,1256 1.06,1257 1.032,1258 1.305,1259 1.319,1260 0.422,1261 1.303,1262 0.886,1263 0.821,1264 1.224,1265 1.098,1266 0.218,1267 1.152,1268 0.791,1269 0.729,1270 1.181,1271 1.062,1272 0.208,1273 1.107,1274 3.932,1276 5.187,1278 6.64,1280 8.181,1282 9.765,1284 1.777,1289 9.224,1290 2.229,1294 -0.461,1300 29.246,1301 62.785,1302 159.175,1303 213.15,1304 234.801,1305 240.311,1306 240.311,1307 52.056,1308 6.284,1309 50.19,1310 50.19,1311 12,1312 11.955,1313 4,1314 3.322,1315 48.28,1316 85,1317 70,1318 0.267,1319 185.863,1320 330.16,1321 445.266,1322 3499,1324 17.364,1325 0.723,1326 0.583,1327 17.364,1328 13.982,1329 11.592,1330 0.464,1331 0.325,1332 8.088,1333 11.376,1334 7.83,1335 6.597,1336 11.592,1337 8.135,1338 9.896,1339 0.309,1340 0.184,1341 9.896,1342 5.894,1343 7.548,1344 0.194,1345 0.102,1346 7.548,1347 3.996,1348 6.177,1349 0.134,1350 0.059,1351 6.177,1352 2.691,1353 4.263,1354 0.087,1355 0.034,1356 4.263,1357 1.653,1358 0.419,1359 71.208,1360 0.248,1361 23.572,1362 0.73,1363 114,1364 305.53,1365 119.816,1366 304.375,1367 405.31,1368 282,1369 128,1370 284.779,1371 132.821,1372 294.936,1373 419.24,1374 276,1375 7.553} {0 CHEMBL99223,1 1.647,2 9.72,3 4.576,4 20.939,5 89.681,6 8.125,7 0.462,8 3.842,9 3.944,10 3.443,11 3.393,12 5.074,13 3.386,14 4.373,15 4.523,16 3.851,17 3.743,18 6.106,19 3.714,20 4.592,21 4.8,22 3.774,23 3.863,24 5.785,25 3.795,26 4.642,27 4.86,28 3.765,29 3.846,30 5.87,31 3.786,32 4.615,33 4.818,34 3.789,35 3.871,36 5.832,37 3.808,38 4.688,39 4.912,40 3.757,41 3.88,42 5.876,43 3.801,44 4.674,45 4.906,46 3.745,47 3.795,48 5.901,49 3.726,50 4.658,51 4.912,52 3.677,53 3.601,54 6.065,55 3.565,56 0.133,57 0.778,58 7.254,59 4.39,60 34.043,61 4.805,62 0.838,63 1.559,64 15.329,65 7.152,66 162.184,67 8.246,68 0.461,69 1.362,70 21.033,71 9.04,72 80.794,73 11.213,74 0.649,75 1.489,76 23.567,77 9.341,78 118.898,79 10.932,80 0.525,81 1.45,82 21.479,83 9.138,84 93.1,85 10.918,86 0.592,87 1.485,88 24.119,89 9.529,90 98.17,91 11.796,92 0.577,93 1.556,94 24.301,95 9.423,96 98.824,97 11.516,98 0.986,99 1.6,100 27.087,101 8.612,102 163.216,103 9.749,104 35,105 35,106 0.289,107 0.622,108 0.779,109 0.875,110 0.9,111 0.9,112 3.267,113 0.909,114 -5,115 -4.9,116 -4.59,118 44.2,120 4,131 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 15,169 1,172 3,175 1,177 1,180 17,181 1,186 3,191 1,194 17,195 1,198 3,203 1,206 16,207 1,210 4,215 1,218 15,219 1,222 4,227 1,229 12,230 1,234 3,239 1,242 8,243 2,247 3,252 2,255 4,256 3,259 3,260 1,264 3,267 1,268 3,270 1120,271 16.283,272 16.283,273 16.283,274 16.283,275 16.283,276 14.481,277 10.022,278 9.954,279 16.605,280 12.872,281 12.872,282 12.872,283 12.872,284 12.872,285 10.204,286 6.046,287 4.763,288 13.458,289 3.78,290 1.879,291 0.983,292 0.436,293 0.297,294 0.297,295 3.928,299 1,300 1,301 492,302 4.301,306 187.079,313 1.434,314 44.295,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 57,326 243,327 4.497,328 4.46,329 7.119,330 4.201,331 3.327,332 4.031,333 3.825,334 11.708,335 3.051,336 4.287,337 3.596,338 6.494,339 3.958,340 2.982,341 3.669,342 2.341,343 10.157,344 2.792,345 3.679,346 3.027,347 5.279,348 3.24,349 2.261,350 3.099,352 6.538,353 2.222,354 3.55,355 2.348,356 4.659,357 3.232,358 2.234,359 2.71,361 5.184,362 2.175,363 3.25,364 2.027,365 4.601,366 2.785,367 1.816,368 2.488,370 4.713,371 1.748,372 2.8,373 1.79,374 4.092,375 2.557,376 1.576,377 1.918,379 3.636,380 1.529,381 2.752,382 1.458,383 3.635,384 2.33,385 1.369,386 1.774,388 3.099,389 1.304,390 2.571,391 1.307,392 3.494,393 2.097,394 1.119,395 1.6,397 2.564,398 1.082,399 2.5,400 1.162,401 3.372,402 1.999,403 1,404 1.5,406 2.282,407 0.995,408 2.391,409 1,410 3.247,411 1.955,412 1,413 1.291,415 2.136,416 0.953,417 1.652,418 0.728,419 2.85,420 1.445,421 0.446,422 0.52,424 1.025,425 0.443,426 0.963,427 0.51,428 2.719,429 0.74,430 -0.262,431 -0.286,433 -0.586,434 -0.26,435 0.755,436 0.51,437 2.308,438 0.328,439 -0.654,440 -0.873,442 -1.549,443 -0.638,444 0.637,445 0.424,446 2.192,447 0.193,448 -0.786,449 -1,451 -1.89,452 -0.7,453 0.571,454 0.026,455 2,456 0.117,457 -0.891,458 -1,460 -2,461 -0.7,462 11.424,463 0.457,464 0.71,465 0.028,466 29.75,467 1.19,468 15,469 0.6,470 14.75,471 0.59,472 19.99,473 0.8,474 28.176,475 0.655,476 24.299,477 0.972,478 6.108,479 0.244,480 5.768,481 0.231,482 0.133,483 0.044,484 0.219,485 3,487 0.585,488 0.915,489 0.688,490 1.04,491 0.629,492 0.955,493 0.348,494 0.747,495 0.749,496 1.058,497 0.34,498 1.073,499 0.59,500 0.823,501 0.803,502 1.003,503 0.583,504 1.008,505 0.908,506 0.937,507 0.974,508 0.954,509 0.902,510 0.983,511 0.747,512 0.936,513 0.934,514 1.062,515 0.744,516 1.079,517 0.724,518 0.896,519 0.964,520 1.047,521 0.695,522 1.091,523 0.801,524 1.105,525 0.941,526 1.153,527 0.777,528 1.122,529 1.292,530 1.125,531 1.135,532 0.958,533 1.306,534 0.964,535 5.5,536 0.124,537 2.667,538 1.563,539 0.871,540 0.771,541 0.567,542 0.377,543 0.329,544 0.218,545 6346,546 25310,547 1.941,548 41.9,549 6,550 7,552 2,553 1,554 2,558 1.685,559 1.796,560 3.24,561 -0.317,567 70.805,568 1.647,569 3.547,570 4.443,571 4.99,572 5.13,573 5.13,574 2.661,575 4.214,576 4.609,577 3.452,578 1035.5,579 8.004,580 12886,582 1,585 233.329,586 1.583,587 4.551,588 0.212,589 0.009,590 0.076,591 0.046,592 0.026,593 0.023,594 0.018,595 0.013,596 0.013,597 0.01,598 0.445,599 0.5,600 1,601 1.87,602 120.851,603 -0.034,604 -0.007,605 -0.003,606 0.034,607 -0.082,608 0.029,609 0.444,610 0.28,611 0.074,612 -0.019,613 0.446,614 -0.099,615 0.001,616 -0.081,617 0.061,618 -0.009,619 0.019,620 0.027,621 -0.093,622 -0.015,623 -0.041,624 0.043,625 -0.089,626 0.03,627 -0.052,628 -0.084,629 -0.056,630 -0.063,631 -0.056,632 -0.065,633 -0.048,634 -0.087,635 -0.061,636 -0.076,637 -0.034,638 -0.076,639 -0.03,640 -0.211,641 0.005,642 -0.179,643 -0.022,644 -0.107,645 -0.077,646 0.061,647 -0.035,648 -0.001,649 -0.119,650 0.001,651 5.655,652 4.974,653 0.48,654 23.392,655 1.026,656 1.142,657 3.767,658 14.188,659 0.659,660 3.296,661 3.584,662 3.714,663 3.892,664 4.094,665 4.094,666 4.22,667 4.19,668 4.174,669 4.043,670 6.107,671 0.648,672 349.38,673 3.296,674 4.812,675 5.609,676 6.466,677 7.294,678 8.157,679 9,680 9.868,681 10.72,682 11.59,683 2.3,693 1,699 8,700 1,704 3,706 12,724 43,726 14,727 1,728 26,730 44,731 19,733 11,734 2,735 4,736 2,739 2,740 2,745 1,750 1,751 4,753 14,754 5,756 2,761 1,763 1,765 2,769 1,770 3,772 18,773 6,774 1,775 6,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,838 3,840 25,845 1,846 4,852 1,861 3,862 4.7,864 1,865 1,869 13.917,870 7.495,871 5.556,872 2.589,874 2.118,875 1.327,876 0.93,877 6.495,878 8.597,879 3.555,880 4.078,881 4.543,882 5.055,883 5.575,884 5.707,885 6.099,886 6.279,887 6.48,888 6.626,889 1,890 34,891 9.664,893 4.444,894 8.443,895 16.822,897 13.311,899 2.943,900 73.583,903 1,904 200.109,905 115.978,906 16.786,908 67.828,909 44.88,911 115.978,912 267.937,913 61.666,915 10.138,916 66.334,917 109.066,918 75.717,920 176.567,921 7.76,922 200.109,923 132.764,924 112.709,927 200.109,928 112.709,931 35.992,932 70.51,933 26.262,935 244.989,936 84.614,937 115.978,940 207.868,941 23.79,942 84.429,944 129.494,945 200.109,946 129.494,947 115.978,949 0.573,950 0.299,951 0.15,952 0.085,953 14,954 7,955 0.159,956 7,958 1,959 3.616,960 190.726,962 12,963 111.342,968 18.891,969 8.595,970 5.846,972 129.494,973 11.881,974 4.029,978 0.479,980 42.683,981 445.581,982 34,987 10.541,989 1.842,991 -0.191,994 44.131,995 49.088,996 0.303,997 0.654,998 0.819,999 0.92,1000 0.945,1001 0.945,1002 4.771,1003 1.119,1004 5.617,1005 3.099,1006 4.263,1007 4.762,1008 3.381,1009 6.418,1010 4.179,1011 5.975,1012 1,1013 7.18,1014 2.564,1015 4.007,1016 4.494,1017 4.06,1018 7.618,1019 3.729,1020 7.276,1021 1,1022 8.871,1023 2.282,1024 5.894,1025 6.86,1026 5.571,1027 10.599,1028 5.691,1029 8.616,1030 0.446,1031 10.642,1032 2.136,1033 6.463,1034 7.36,1035 6.762,1036 12.622,1037 6.048,1038 9.99,1039 -0.262,1040 12.466,1041 1.025,1042 7.892,1043 9.251,1044 8.113,1045 15.218,1046 7.513,1047 11.388,1048 -0.654,1049 14.326,1050 -0.586,1051 8.815,1052 10.131,1053 9.418,1054 17.509,1055 8.255,1056 12.805,1057 -0.786,1058 16.209,1059 -1.549,1060 10.079,1061 11.792,1062 10.755,1063 19.994,1064 9.505,1065 3.327,1066 -0.891,1067 18.11,1068 -1.89,1069 11.153,1070 12.882,1071 12.086,1072 22.378,1073 10.434,1074 2.982,1075 11.708,1076 20.022,1077 -2,1078 12.359,1079 14.417,1080 13.424,1081 24.831,1082 11.591,1083 2.261,1084 10.157,1085 21.943,1086 4.031,1087 13.496,1088 15.628,1089 14.762,1090 27.25,1091 12.609,1092 2.234,1093 6.538,1094 23.87,1095 3.669,1096 14.685,1097 17.094,1098 16.102,1099 29.695,1100 13.728,1101 1.816,1102 5.184,1103 25.803,1104 3.099,1105 15.849,1106 18.375,1107 17.443,1108 32.129,1109 14.789,1110 1.576,1111 4.713,1112 27.739,1113 2.71,1114 17.034,1115 19.803,1116 18.784,1117 34.574,1118 15.895,1119 1.369,1120 3.636,1121 29.678,1122 2.488,1123 18.212,1124 21.126,1125 20.125,1126 37.016,1127 16.976,1128 6546,1129 13224,1130 16.583,1131 28.341,1132 39.088,1133 38.11,1134 38.511,1135 38.532,1136 38.262,1137 49.203,1138 12.332,1139 106.084,1140 36.591,1141 5.355,1142 6.46,1143 6.921,1144 5.237,1145 5.327,1146 7.031,1147 5.409,1148 18.823,1149 5.051,1150 14.561,1151 1.503,1152 1.466,1153 1.481,1154 1.482,1155 1.472,1156 1.892,1157 0.474,1158 4.08,1159 1.407,1160 4.014,1161 4.04,1162 3.969,1163 3.955,1164 8.513,1165 3.954,1166 3.818,1167 3.855,1168 3.767,1169 3.724,1170 7.999,1171 3.727,1172 3.726,1173 3.775,1174 3.601,1175 3.587,1176 7.999,1177 3.579,1178 3.479,1179 3.513,1180 3.416,1181 3.314,1182 7.474,1183 3.322,1184 3.309,1185 3.351,1186 3.275,1187 3.034,1188 6.351,1189 3.074,1190 3.122,1191 3.162,1192 3.012,1193 2.923,1194 4.92,1195 2.94,1196 2.825,1197 2.888,1198 2.641,1199 2.635,1200 4.69,1201 2.624,1202 2.771,1203 2.85,1204 2.622,1205 2.603,1206 4.239,1207 2.606,1208 0.173,1209 0.172,1210 0.274,1211 0.162,1212 0.128,1213 4.497,1214 0.155,1215 4.46,1216 0.147,1217 7.119,1218 0.45,1219 4.201,1220 0.117,1221 3.327,1222 4.031,1223 3.825,1224 11.708,1225 3.051,1226 1.982,1227 1.96,1228 2.078,1229 2.059,1230 1.327,1231 2.065,1232 1.796,1233 1.763,1234 1.954,1235 1.916,1236 1.165,1237 1.922,1238 1.717,1239 1.665,1240 1.901,1241 1.886,1242 0.962,1243 1.899,1244 1.426,1245 1.387,1246 1.643,1247 1.63,1248 0.835,1249 1.627,1250 1.139,1251 1.106,1252 1.327,1253 1.44,1254 0.47,1255 1.363,1256 1.042,1257 0.999,1258 1.205,1259 1.296,1260 0.263,1261 1.278,1262 0.791,1263 0.73,1264 1.097,1265 1.063,1266 0.217,1267 1.078,1268 0.769,1269 0.709,1270 1.047,1271 0.987,1272 0.113,1273 1.012,1274 3.97,1276 5.263,1278 6.739,1280 8.302,1282 9.915,1286 38.923,1289 8.655,1290 1.831,1296 -4.405,1300 27.869,1301 70.805,1302 152.535,1303 191.065,1304 214.574,1305 220.574,1306 220.574,1307 73.901,1308 6.479,1309 50.19,1310 50.19,1311 12,1312 12.138,1313 3.907,1314 3.17,1315 51.348,1316 84,1317 107,1318 0.28,1319 173.2,1320 316.41,1321 414.369,1322 4438,1323 7,1324 18.286,1325 0.731,1326 0.538,1327 15.786,1328 13.461,1329 11.876,1330 0.457,1331 0.303,1332 7.755,1333 11.356,1334 7.647,1335 6.33,1336 10.665,1337 7.877,1338 11.083,1339 0.317,1340 0.159,1341 9.126,1342 5.578,1343 7.619,1344 0.19,1345 0.092,1346 6.657,1347 3.667,1348 5.931,1349 0.124,1350 0.051,1351 5.398,1352 2.454,1353 4.789,1354 0.081,1355 0.028,1356 4.234,1357 1.644,1358 0.434,1359 75.161,1360 0.246,1361 24.299,1362 0.784,1363 122,1364 563.864,1365 144.833,1366 463.989,1367 585.68,1368 426,1369 136,1370 388.779,1371 150.633,1372 376.169,1373 559.24,1374 352,1375 7.284} {0 CHEMBL99319,1 1.322,2 10.083,3 4.828,4 23.308,5 97.898,6 6.601,7 0.48,8 3.928,9 4.051,10 3.372,11 3.511,12 5.002,13 3.449,14 4.447,15 4.634,16 3.653,17 3.877,18 5.511,19 3.775,20 4.723,21 4.955,22 3.671,23 4.024,24 5.628,25 3.886,26 4.767,27 5.012,28 3.628,29 4.029,30 5.643,31 3.874,32 4.775,33 5.025,34 3.608,35 4.014,36 5.648,37 3.855,38 4.745,39 5.006,40 3.544,41 3.946,42 5.619,43 3.787,44 4.618,45 4.868,46 3.465,47 3.868,48 5.463,49 3.711,50 4.587,51 4.833,52 3.449,53 3.827,54 5.456,55 3.67,56 0.047,57 0.627,58 10.915,59 4.995,60 9.732,61 6.714,62 0.195,63 1.008,64 18.896,65 8.164,66 37.365,67 11.332,68 0.183,69 1.261,70 25.362,71 10.595,72 35.157,73 14.752,74 0.178,75 1.307,76 26.507,77 11.073,78 36.121,79 15.556,80 0.183,81 1.317,82 26.806,83 11.013,84 37.57,85 15.561,86 0.206,87 1.274,88 26.227,89 10.286,90 40.696,91 14.699,92 0.155,93 1.142,94 22.865,95 9.259,96 27.295,97 13.195,98 0.117,99 1.098,100 22.07,101 9.123,102 21.386,103 12.926,104 26,105 32,106 0.226,107 0.566,108 0.75,109 0.818,110 0.842,111 0.842,112 3.228,113 1.02,114 -4.84,115 -4.75,116 -4.46,118 42.9,119 2,120 4,121 1,133 1,134 1,140 6,141 3,143 2,154 1,163 1,167 1,168 18,169 1,172 3,175 1,177 1,180 22,181 1,186 3,191 1,194 23,195 1,198 3,203 1,206 21,207 1,210 4,215 1,218 18,219 1,222 4,227 1,229 16,230 1,234 3,239 1,242 14,243 2,247 4,252 2,255 10,256 3,259 5,260 1,264 3,267 6,268 3,270 1040,271 16.018,272 16.018,273 16.018,274 16.018,275 16.018,276 14.203,277 10.418,278 9.912,279 16.089,280 12.349,281 12.349,282 12.349,283 12.349,284 12.349,285 9.662,286 4.834,287 4.717,288 12.449,289 4.293,290 2.299,291 1.22,292 0.822,293 0.684,294 0.684,295 3.892,299 1,300 1,301 490,302 3.937,306 181.978,313 1.521,314 17.719,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 50.5,326 242,327 4.384,328 3.596,329 6.501,330 4.021,331 3.022,332 3.974,333 2.341,334 10.183,335 3.018,336 4.006,337 3.071,338 5.915,339 3.708,340 2.709,341 3.52,343 8.156,344 2.706,345 3.596,346 2.915,347 5.225,348 3.24,349 2.235,350 2.989,352 6.301,353 2.222,354 3.55,355 2.216,356 4.659,357 3.181,358 2.192,359 2.71,361 5.184,362 2.168,363 3.111,364 1.958,365 4.205,366 2.727,367 1.732,368 2.291,370 3.95,371 1.72,372 2.757,373 1.572,374 3.751,375 2.49,376 1.507,377 1.8,379 3.162,380 1.479,381 2.502,382 1.307,383 3.626,384 2.219,385 1.228,386 1.5,388 2.858,389 1.215,390 2.5,391 1.218,392 3.414,393 2,394 1,395 1.5,397 2.298,398 1,399 2.5,400 1,401 3.375,402 1.999,403 1,404 1.488,406 2.275,407 0.995,408 2.336,409 1,410 3.247,411 1.955,412 1,413 1.249,415 2.136,416 0.953,417 1.657,418 0.735,419 2.833,420 1.463,421 0.464,422 0.534,424 1.057,425 0.461,426 1.006,427 0.44,428 2.29,429 0.769,430 -0.234,431 -0.257,433 -0.52,434 -0.232,435 0.8,436 0.041,437 2.192,438 0.435,439 -0.557,440 -0.708,442 -1.282,443 -0.549,444 0.594,445 -0.452,446 2,447 0.151,448 -0.84,449 -1,451 -1.88,452 -0.811,453 0.5,454 -0.703,455 1.783,457 -1,458 -1.047,460 -2,461 -0.969,462 11.567,463 0.482,464 0.511,465 0.021,466 28.5,467 1.188,468 15,469 0.625,470 13.5,471 0.563,472 20.577,473 0.857,474 26.233,475 0.535,476 19.686,477 0.82,478 5.385,479 0.224,480 6.19,481 0.258,482 0.144,484 0.259,487 0.752,488 1.149,489 0.935,490 1.085,491 0.73,492 1.039,493 0.444,494 1.077,495 0.936,496 1.07,497 0.39,498 1.053,499 0.816,500 0.986,501 0.993,502 0.996,503 0.848,504 1.013,505 0.693,506 1.016,507 0.99,508 1.031,509 0.724,510 1.043,511 0.705,512 1.054,513 0.997,514 1.046,515 0.739,516 1.053,517 0.805,518 0.984,519 0.989,520 0.967,521 0.741,522 0.989,523 0.673,524 1.044,525 1.023,526 1.05,527 0.625,528 1.065,529 0.567,530 1.164,531 0.996,532 1.167,533 0.57,534 1.13,535 4,536 0.124,537 2.444,538 1.313,539 0.733,540 0.486,541 0.362,542 0.323,543 0.3,544 0.216,545 5981,546 15163,547 1.972,548 51,549 13,550 7,552 2,553 1,554 2,558 1.672,559 1.846,560 3.302,561 -0.424,567 64.786,568 1.322,569 3.316,570 4.395,571 4.793,572 4.931,573 4.931,574 2.721,575 3.57,576 4.547,577 3.503,578 966.888,579 7.871,580 11838.4,582 1,585 275.121,586 1.384,587 4.513,588 0.16,589 0.008,590 0.076,591 0.041,592 0.024,593 0.017,594 0.013,595 0.013,596 0.013,597 0.01,598 0.376,599 0.5,600 1,601 1.876,602 115.319,603 -0.039,604 -0.004,605 0.011,606 0.031,607 -0.053,608 0.025,609 0.205,610 0.002,611 0.007,612 -0.012,613 0.231,614 -0.02,615 -0.066,616 0.018,617 -0.041,618 0.024,619 -0.073,620 -0.003,621 -0.037,622 -0.027,623 -0.047,624 -0.019,625 -0.061,626 -0.033,627 -0.032,628 -0.066,629 -0.051,630 -0.043,631 -0.071,632 -0.05,633 -0.054,634 0.012,635 -0.029,636 0.011,637 -0.038,638 -0.004,639 -0.041,640 -0.029,641 -0.077,642 -0.054,643 -0.048,644 -0.066,645 0.036,646 -0.164,647 -0.056,648 -0.163,649 0.009,650 -0.124,651 2.393,652 3.602,653 0.5,654 24.278,655 0.987,656 1.12,657 3.61,658 13.029,659 0.654,660 3.258,661 3.497,662 3.664,663 3.829,664 4.007,665 4.025,666 4.143,667 4.143,668 4.078,669 3.932,670 6.244,671 0.608,672 323.47,673 3.258,674 4.745,675 5.541,676 6.372,677 7.194,678 8.034,679 8.869,680 9.717,681 10.56,682 11.411,683 2,693 1,699 8,700 1,704 3,706 12,724 49,726 14,727 1,728 25,730 50,731 21,733 11,734 2,735 4,736 2,739 2,740 2,745 2,751 4,753 14,754 7,755 1,756 2,761 1,763 1,765 2,772 25,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 2,818 1,822 1,823 1,830 1,832 2,836 2,840 24,845 1,846 4,850 1,862 4.1,864 1,865 1,869 13,870 9.15,871 5.5,872 3.169,874 2.093,875 1.328,876 0.918,877 6.898,878 8.483,879 3.526,880 4.025,881 4.511,882 5.011,883 5.522,884 5.663,885 6.054,886 6.235,887 6.403,888 6.538,889 0.857,890 32,891 8.854,893 3.552,894 7.736,895 17.147,897 13.565,899 2.236,900 53.667,902 1,903 1,904 282.506,905 125.869,906 16.786,908 67.828,911 125.869,912 350.335,913 16.786,914 17.65,915 10.138,916 66.334,917 109.066,918 30.837,920 258.964,922 282.506,923 142.655,924 67.828,927 282.506,928 67.828,931 45.883,932 70.51,933 26.262,935 282.506,936 84.614,937 125.869,940 282.506,941 23.79,942 102.079,944 84.614,945 282.506,946 84.614,947 125.869,949 0.561,950 0.303,951 0.153,952 0.083,953 12,954 6,955 0.16,956 8,958 1,959 3.627,960 175.821,962 12,963 104.039,968 18.097,969 9.147,970 5.724,972 84.614,973 16.317,974 4.226,978 3.587,980 42.683,981 492.99,982 33,987 10.602,989 2.198,991 0.435,994 48.36,995 54.9,996 0.235,997 0.591,998 0.783,999 0.854,1000 0.878,1001 0.878,1002 4.71,1003 1,1004 5.485,1005 2.858,1006 4.174,1007 4.71,1008 2.258,1009 6.205,1010 4.161,1011 5.876,1012 1,1013 6.989,1014 2.298,1015 3.611,1016 4.27,1017 2.243,1018 7.008,1019 3.604,1020 7.141,1021 1,1022 8.602,1023 2.275,1024 5.666,1025 6.775,1026 3.628,1027 10.067,1028 5.648,1029 8.443,1030 0.464,1031 10.284,1032 2.136,1033 5.943,1034 7.154,1035 4.112,1036 11.77,1037 5.935,1038 9.779,1039 -0.234,1040 12.011,1041 1.057,1042 7.454,1043 9.128,1044 5.201,1045 14.335,1046 7.434,1047 11.139,1048 -0.557,1049 13.771,1050 -0.52,1051 8.137,1052 9.918,1053 5.889,1054 16.393,1055 8.126,1056 12.519,1057 -0.84,1058 15.553,1059 -1.282,1060 9.408,1061 11.629,1062 6.849,1063 18.792,1064 9.389,1065 3.022,1066 -1,1067 17.353,1068 -1.88,1069 10.295,1070 12.652,1071 7.625,1072 20.996,1073 10.283,1074 2.709,1075 10.183,1076 19.165,1077 -2,1078 11.459,1079 14.217,1080 8.526,1081 23.338,1082 11.44,1083 2.235,1084 8.156,1085 20.986,1086 3.974,1087 12.449,1088 15.378,1089 9.342,1090 25.604,1091 12.434,1092 2.192,1093 6.301,1094 22.815,1095 3.52,1096 13.568,1097 16.86,1098 10.216,1099 27.927,1100 13.549,1101 1.732,1102 5.184,1103 24.65,1104 2.989,1105 14.609,1106 18.105,1107 11.051,1108 30.22,1109 14.592,1110 1.507,1111 3.95,1112 26.489,1113 2.71,1114 15.71,1115 19.539,1116 11.912,1117 32.538,1118 15.689,1119 1.228,1120 3.162,1121 28.333,1122 2.291,1123 16.777,1124 20.835,1125 12.755,1126 34.844,1127 16.757,1128 6141,1129 9876,1130 16.296,1131 32.052,1132 36.758,1133 36.969,1134 37.183,1135 36.181,1136 36.176,1137 47.11,1138 4.682,1139 95.115,1140 35.876,1141 5.242,1142 5.596,1143 6.303,1144 5.057,1145 5.022,1146 6.974,1147 3.925,1148 16.932,1149 5.018,1150 13.03,1151 1.47,1152 1.479,1153 1.487,1154 1.447,1155 1.447,1156 1.884,1157 0.187,1158 3.805,1159 1.435,1160 4.017,1161 4.046,1162 3.96,1163 3.967,1164 7.474,1165 3.961,1166 3.83,1167 3.87,1168 3.758,1169 3.748,1170 6.351,1171 3.745,1172 3.726,1173 3.776,1174 3.601,1175 3.589,1176 4.923,1177 3.58,1178 3.539,1179 3.594,1180 3.418,1181 3.414,1182 4.724,1183 3.404,1184 3.411,1185 3.458,1186 3.262,1187 3.241,1188 4.271,1189 3.238,1190 3.116,1191 3.155,1192 2.986,1193 2.935,1194 4.095,1195 2.942,1196 2.874,1197 3.009,1198 2.687,1199 2.735,1200 3.891,1201 2.715,1202 2.854,1203 2.925,1204 2.639,1205 2.624,1206 3.789,1207 2.62,1208 0.175,1209 0.144,1210 0.26,1211 0.161,1212 0.121,1213 4.384,1214 0.159,1215 3.596,1216 0.094,1217 6.501,1218 0.407,1219 4.021,1220 0.121,1221 3.022,1222 3.974,1223 2.341,1224 10.183,1225 3.018,1226 1.995,1227 1.971,1228 2.105,1229 2.066,1230 1.331,1231 2.08,1232 1.827,1233 1.791,1234 1.993,1235 1.941,1236 1.256,1237 1.958,1238 1.718,1239 1.666,1240 1.921,1241 1.886,1242 1.071,1243 1.902,1244 1.542,1245 1.486,1246 1.785,1247 1.707,1248 0.866,1249 1.736,1250 1.386,1251 1.337,1252 1.63,1253 1.598,1254 0.828,1255 1.605,1256 1.071,1257 1.03,1258 1.417,1259 1.297,1260 0.469,1261 1.308,1262 0.934,1263 0.821,1264 1.302,1265 1.239,1266 0.442,1267 1.294,1268 0.886,1269 0.804,1270 1.181,1271 1.062,1272 0.218,1273 1.107,1274 3.932,1276 5.187,1278 6.632,1280 8.165,1282 9.747,1284 4.38,1289 8.725,1290 2.682,1294 0.515,1300 29.773,1301 64.786,1302 162.478,1303 215.346,1304 234.856,1305 241.611,1306 241.611,1307 48.036,1308 6.39,1309 50.19,1310 50.19,1311 12,1312 11.97,1313 3.907,1314 3.17,1315 48.239,1316 82,1317 100,1318 0.268,1319 188.79,1320 332.8,1321 452.409,1322 3989,1324 17.364,1325 0.723,1326 0.6,1327 17.364,1328 14.405,1329 11.575,1330 0.463,1331 0.34,1332 8.457,1333 11.352,1334 8.161,1335 6.888,1336 11.575,1337 8.503,1338 10.013,1339 0.313,1340 0.196,1341 10.013,1342 6.276,1343 7.439,1344 0.196,1345 0.107,1346 7.439,1347 4.054,1348 5.768,1349 0.128,1350 0.059,1351 5.768,1352 2.639,1353 4.468,1354 0.083,1355 0.032,1356 4.468,1357 1.715,1358 0.419,1359 71.107,1360 0.248,1361 23.698,1362 0.736,1363 114,1364 297.53,1365 119.816,1366 294.86,1367 394.48,1368 274,1369 127,1370 278.779,1371 131.157,1372 287.341,1373 408.44,1374 270,1375 7.201} {0 CHEMBL99439,1 1.42,2 8.75,3 2.601,4 6.767,5 63.612,6 6.646,7 0.375,8 3.535,9 3.658,10 2.968,11 3.064,12 4.654,13 3.013,14 4.034,15 4.228,16 3.193,17 3.385,18 5.183,19 3.285,20 4.271,21 4.511,22 3.115,23 3.47,24 5.211,25 3.328,26 4.263,27 4.521,28 2.976,29 3.402,30 5.154,31 3.233,32 4.248,33 4.534,34 2.844,35 3.302,36 5.103,37 3.123,38 4.085,39 4.361,40 2.694,41 3.145,42 5.001,43 2.967,44 3.918,45 4.207,46 2.57,47 2.974,48 4.772,49 2.802,50 3.738,51 4.015,52 2.576,53 2.784,54 4.749,55 2.658,56 0.028,57 0.43,58 7.356,59 3.26,60 7.271,61 4.376,62 0.161,63 0.654,64 12.628,65 5.091,66 34.166,67 7.171,68 0.156,69 0.758,70 16.392,71 6.21,72 32.886,73 8.804,74 0.145,75 0.735,76 16.287,77 6.084,78 31.38,79 8.765,80 0.182,81 0.696,82 16.311,83 5.633,84 34.854,85 8.31,86 0.15,87 0.586,88 13.816,89 4.849,90 31.447,91 7.054,92 0.113,93 0.495,94 11.628,95 4.066,96 21.378,97 6.006,98 0.072,99 0.411,100 9.695,101 3.273,102 15.022,103 4.827,104 17,105 19,106 0.271,107 0.628,108 0.807,109 0.864,110 0.888,111 0.888,112 2.848,113 1.029,114 -3.15,115 -3.14,116 -3.02,118 39.4,119 1,120 4,133 1,134 1,140 2,141 1,143 2,154 1,163 1,167 1,168 9,169 1,172 3,175 1,177 1,180 9,181 1,186 3,191 1,194 8,195 1,198 3,203 1,206 7,207 1,210 2,215 1,218 5,219 1,222 2,227 1,229 4,230 1,234 2,239 1,242 2,243 2,247 3,252 2,255 1,256 1,259 1,260 1,264 1,268 1,270 286,271 10.588,272 10.588,273 10.588,274 10.588,275 10.588,276 9.355,277 6.425,278 6.791,279 10.658,280 7.911,281 7.911,282 7.911,283 7.911,284 7.911,285 6.186,286 2.933,287 3.265,288 8.01,289 3.624,290 1.747,291 0.811,292 0.508,293 0.387,294 0.387,295 3.477,299 1,300 1,301 275,302 3.391,306 60.388,313 1.406,314 14.073,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 34.5,326 140,327 4.166,328 3.596,329 6.018,330 3.779,331 2.783,332 3.707,333 2.341,334 8.537,335 2.772,336 3.55,337 2.903,338 4.659,339 3.24,340 2.235,341 2.712,343 5.184,344 2.222,345 3.356,346 2.051,347 4.322,348 2.858,349 1.877,350 2.655,352 4.311,353 1.841,354 2.758,355 1.709,356 3.636,357 2.532,358 1.543,359 1.809,361 3.159,362 1.521,363 2.5,364 1.307,365 3.385,366 2.101,367 1.115,368 1.5,370 2.502,371 1.097,372 2.479,373 1.022,374 3.247,375 1.956,376 1,377 1.435,379 2.136,380 0.953,381 1.722,382 1,383 2.776,384 1.613,385 0.613,386 0.655,388 1.272,389 0.61,390 0.978,391 0.573,392 2.192,393 0.793,394 -0.211,395 -0.226,397 -0.449,398 -0.21,399 0.647,400 0.105,401 1.669,402 0.22,403 -0.747,404 -0.964,406 -1.606,407 -0.718,408 0.5,409 -0.606,410 1.555,411 0.055,412 -1,413 -1.074,415 -2,416 -0.926,417 0.458,418 -0.703,419 1.323,420 -0.026,421 -1,422 -1.415,424 -2.264,425 -0.974,426 0.18,427 -1,428 1,429 -0.065,430 -1,431 -1.5,433 -2.347,434 -1.048,435 -0.374,436 -1.177,437 1,438 -0.514,439 -1.507,440 -1.834,442 -3.599,443 -1.507,444 -0.5,445 -1.649,446 0.793,447 -0.757,448 -1.751,449 -1.964,451 -4.172,452 -1.747,453 -0.564,454 -1.83,455 0.227,456 -0.95,457 -1.949,458 -2.497,459 -0.757,460 -4.789,461 -1.932,462 7.567,463 0.473,464 0.302,465 0.019,466 18,467 1.125,468 9,469 0.563,470 9,471 0.563,472 11.63,473 0.727,474 18.233,475 0.553,476 10.462,477 0.654,478 3.578,479 0.224,480 4.121,481 0.258,482 0.154,484 0.198,487 0.766,488 1.273,489 0.933,490 1.175,491 0.719,492 1.095,493 0.439,494 1.171,495 0.941,496 1.158,497 0.381,498 1.124,499 0.875,500 1.039,501 1.035,502 1.045,503 0.913,504 1.065,505 0.769,506 1.093,507 1.038,508 1.103,509 0.789,510 1.114,511 0.851,512 0.879,513 0.985,514 0.913,515 0.829,516 0.956,517 0.915,518 0.967,519 1.031,520 0.999,521 0.896,522 1.028,523 0.741,524 0.912,525 0.89,526 0.925,527 0.729,528 0.926,529 0.775,530 1.018,531 0.78,532 0.998,533 0.731,534 0.897,535 2.5,536 0.037,537 1.333,538 0.688,539 0.351,540 0.264,541 0.101,542 0.106,543 0.082,544 0.066,545 2058,546 6273,547 1.895,548 51.5,549 9,550 3,552 2,553 1,554 2,558 1.541,559 1.778,560 3.142,561 -0.291,563 1,564 1,565 1,567 46.872,568 1.42,569 3.297,570 4.234,571 4.537,572 4.658,573 4.658,574 2.561,575 3.328,576 3.971,577 3.29,578 394.768,579 6.638,580 3657.34,582 1,584 1,585 166.465,586 1.329,587 3.929,588 0.156,589 0.007,590 0.07,591 0.04,592 0.025,593 0.022,594 0.01,595 0.012,596 0.009,597 0.009,598 0.362,599 0.83,600 1,601 2.453,602 67.393,603 -0.056,604 -0.058,605 -0.01,606 0.001,607 -0.05,608 -0.001,609 0.22,610 -0.066,611 -0.019,612 -0.081,613 0.246,614 -0.083,615 -0.086,616 -0.049,617 -0.097,618 -0.033,619 -0.098,620 -0.064,621 -0.051,622 -0.13,623 -0.109,624 -0.112,625 -0.073,626 -0.12,627 -0.069,628 0.056,629 -0.038,630 0.024,631 -0.08,632 0.004,633 -0.075,634 -0.04,635 -0.08,636 -0.049,637 -0.057,638 -0.063,639 -0.007,640 0.009,641 0.052,642 0.016,643 -0.021,644 0.041,645 0.074,646 -0.086,647 0.182,648 -0.065,649 0.091,650 0.06,651 2.382,652 3.294,653 0.375,654 11.859,655 0.995,656 1.128,657 1.917,658 3.674,659 0.637,660 2.833,661 2.996,662 3.045,663 3.091,664 3.135,665 2.89,666 2.833,667 2.708,668 2.565,669 2.398,670 5.366,671 0.596,672 219.31,673 2.833,674 4.263,675 5.004,676 5.784,677 6.547,678 7.332,679 8.106,680 8.895,681 9.674,682 10.466,683 3,693 1,699 4,700 1,704 1,706 6,724 33,726 8,728 16,730 33,731 13,733 5,736 2,739 1,740 1,745 1,751 4,753 8,754 5,756 2,761 1,763 1,765 2,769 1,772 17,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,822 1,823 1,830 1,832 1,836 1,840 16,845 1,846 4,862 6.1,864 1,865 1,869 9,870 5.983,871 3.778,872 2.051,874 1.618,875 1.305,876 0.881,877 5.446,878 6.927,879 3.091,880 3.512,881 3.845,882 4.229,883 4.624,884 4.432,885 4.657,886 4.523,887 4.523,888 4.523,889 0.833,890 17,891 5.879,893 2.276,894 7.938,895 11.196,897 8.426,899 2.438,900 39,901 0.002,904 188.338,905 72.768,906 16.786,908 67.828,911 72.768,912 256.166,913 16.786,914 8.825,915 10.138,916 28.429,917 109.066,918 24.466,920 164.795,922 188.338,923 89.553,924 67.828,927 188.338,928 67.828,931 37.058,932 26.234,933 26.262,935 188.338,936 84.614,937 72.768,940 188.338,941 17.419,942 55.349,944 84.614,945 188.338,946 84.614,947 72.768,949 0.545,950 0.279,951 0.133,952 0.067,953 6,954 3,955 0.182,956 6,958 1,959 2.941,960 88.041,962 6,963 64,968 12.601,969 6.915,970 5.274,972 84.614,973 7.528,974 4.055,978 1.126,980 42.683,981 345.719,982 21,987 10.294,989 2.138,991 0.483,994 32.825,995 37.239,996 0.282,997 0.654,998 0.839,999 0.899,1000 0.923,1001 0.923,1002 4.227,1003 -0.211,1004 4.905,1005 1.272,1006 3.664,1007 4.19,1008 2.258,1009 5.509,1010 3.641,1011 5.362,1012 -0.747,1013 6.34,1014 -0.449,1015 2.944,1016 3.651,1017 2.243,1018 6.071,1019 2.932,1020 6.598,1021 -1,1022 7.883,1023 -1.606,1024 5.043,1025 6.155,1026 3.628,1027 9.084,1028 5.009,1029 7.868,1030 -1,1031 9.494,1032 -2,1033 5.142,1034 6.41,1035 4.112,1036 10.584,1037 5.124,1038 9.17,1039 -1,1040 11.154,1041 -2.264,1042 6.701,1043 8.41,1044 5.201,1045 13.072,1046 6.658,1047 10.495,1048 -1.507,1049 12.849,1050 -2.347,1051 7.225,1052 9.074,1053 5.889,1054 14.949,1055 7.199,1056 11.838,1057 -1.751,1058 14.57,1059 -3.599,1060 8.516,1061 10.814,1062 6.849,1063 17.239,1064 8.469,1065 2.783,1066 -1.949,1067 16.311,1068 -4.172,1069 9.272,1070 11.719,1071 7.625,1072 19.271,1073 9.238,1074 2.235,1075 8.537,1076 18.066,1077 -4.789,1078 10.427,1079 13.305,1080 8.526,1081 21.479,1082 10.375,1083 1.877,1084 5.184,1085 19.831,1086 3.707,1087 11.309,1088 14.359,1089 9.342,1090 23.575,1091 11.265,1092 1.543,1093 4.311,1094 21.603,1095 2.712,1096 12.396,1097 15.847,1098 10.216,1099 25.748,1100 12.339,1101 1.115,1102 3.159,1103 23.381,1104 2.655,1105 13.344,1106 16.994,1107 11.051,1108 27.871,1109 13.291,1110 1,1111 2.502,1112 25.164,1113 1.809,1114 14.397,1115 18.42,1116 11.912,1117 30.029,1118 14.334,1119 0.613,1120 2.136,1121 26.949,1122 1.5,1123 15.381,1124 19.626,1125 12.755,1126 32.163,1127 15.319,1128 2210,1129 3918,1130 10.227,1131 21.006,1132 22.688,1133 23.02,1134 22.834,1135 22.334,1136 22.331,1137 28.947,1138 4.682,1139 54.203,1140 22.03,1141 5.023,1142 5.596,1143 5.82,1144 4.815,1145 4.783,1146 6.707,1147 3.925,1148 14.413,1149 4.725,1150 8.337,1151 1.418,1152 1.439,1153 1.427,1154 1.396,1155 1.396,1156 1.809,1157 0.293,1158 3.388,1159 1.377,1160 3.928,1161 3.966,1162 3.861,1163 3.846,1164 7.474,1165 3.844,1166 3.728,1167 3.778,1168 3.605,1169 3.592,1170 6.351,1171 3.584,1172 3.514,1173 3.557,1174 3.408,1175 3.362,1176 4.91,1177 3.363,1178 3.251,1179 3.305,1180 3.096,1181 3.035,1182 4.353,1183 3.04,1184 2.875,1185 2.954,1186 2.642,1187 2.639,1188 3.967,1189 2.623,1190 2.787,1191 2.866,1192 2.618,1193 2.594,1194 3.798,1195 2.592,1196 2.693,1197 2.778,1198 2.518,1199 2.48,1200 3.526,1201 2.487,1202 2.45,1203 2.556,1204 2.137,1205 2.147,1206 3.472,1207 2.136,1208 0.26,1209 0.225,1210 0.376,1211 0.236,1212 0.174,1213 4.166,1214 0.232,1215 3.596,1216 0.146,1217 6.018,1218 0.534,1219 3.779,1220 0.173,1221 2.783,1222 3.707,1223 2.341,1224 8.537,1225 2.772,1226 1.902,1227 1.868,1228 2.044,1229 2.009,1230 1.322,1231 2.021,1232 1.718,1233 1.667,1234 1.928,1235 1.886,1236 1.078,1237 1.902,1238 1.489,1239 1.442,1240 1.718,1241 1.677,1242 0.839,1243 1.688,1244 1.212,1245 1.153,1246 1.53,1247 1.473,1248 0.667,1249 1.488,1250 0.842,1251 0.761,1252 1.192,1253 1.166,1254 0.31,1255 1.174,1256 0.79,1257 0.727,1258 1.086,1259 1.005,1260 0.17,1261 1.038,1262 0.664,1263 0.58,1264 0.963,1265 0.928,1267 0.948,1268 0.428,1269 0.334,1270 0.849,1271 0.795,1273 0.831,1274 3.497,1276 4.691,1278 6.061,1280 7.512,1282 9.006,1284 2.05,1289 8.476,1290 2.851,1300 19.665,1301 46.872,1302 108.802,1303 139.71,1304 149.71,1305 153.71,1306 153.71,1307 30.502,1308 5.308,1309 50.19,1310 50.19,1311 6,1312 11.073,1313 3.17,1314 2.585,1315 34.96,1316 51,1317 44,1318 0.335,1319 128.227,1320 225.58,1321 304.635,1322 1054,1324 11.803,1325 0.738,1326 0.595,1327 11.803,1328 9.518,1329 7.698,1330 0.481,1331 0.343,1332 5.442,1333 7.475,1334 5.269,1335 4.451,1336 7.698,1337 5.489,1338 6.407,1339 0.337,1340 0.198,1341 6.407,1342 3.768,1343 4.396,1344 0.22,1345 0.121,1346 4.396,1347 2.412,1348 3.135,1349 0.149,1350 0.069,1351 3.135,1352 1.453,1353 2.235,1354 0.102,1355 0.04,1356 2.235,1357 0.875,1358 0.541,1359 47.845,1360 0.313,1361 16.954,1362 0.867,1363 70,1364 219.53,1365 75.816,1366 212.682,1367 273.36,1368 196,1369 74,1370 182.779,1371 78.157,1372 186.674,1373 259.44,1374 174,1375 6.678} {0 CHEMBL99551,1 1.305,2 10,3 4.882,4 23.838,5 86.617,6 6.03,7 0.286,8 3.886,9 4.023,10 3.231,11 3.409,12 4.877,13 3.332,14 4.44,15 4.654,16 3.437,17 3.758,18 5.414,19 3.62,20 4.728,21 5.008,22 3.406,23 3.867,24 5.496,25 3.686,26 4.701,27 4.978,28 3.373,29 3.849,30 5.454,31 3.664,32 4.721,33 5,34 3.38,35 3.859,36 5.478,37 3.674,38 4.73,39 5.011,40 3.351,41 3.851,42 5.51,43 3.661,44 4.698,45 4.988,46 3.302,47 3.812,48 5.423,49 3.614,50 4.646,51 4.935,52 3.277,53 3.741,54 5.408,55 3.549,56 0.053,57 0.623,58 11.46,59 4.978,60 8.081,61 6.919,62 0.207,63 0.971,64 19.529,65 7.952,66 34.662,67 11.399,68 0.203,69 1.153,70 25.257,71 9.809,72 31.335,73 14.231,74 0.184,75 1.132,76 24.554,77 9.634,78 27.933,79 13.984,80 0.199,81 1.156,82 25.109,83 9.636,84 29.271,85 14.099,86 0.207,87 1.161,88 25.347,89 9.584,90 34.56,91 14.103,92 0.18,93 1.124,94 24.339,95 9.294,96 26.358,97 13.751,98 0.157,99 1.059,100 23.17,101 8.703,102 21.205,103 12.911,104 32,105 24,106 0.228,107 0.509,108 0.706,109 0.843,110 0.892,111 0.892,112 3.101,113 1.15,114 -4.4,115 -4.33,116 -4.08,118 37.5,119 1,120 9,133 1,134 1,140 2,141 1,143 2,154 1,163 1,167 1,168 14,169 1,172 3,175 1,177 1,180 14,181 1,186 3,191 1,194 14,195 1,198 3,203 1,206 14,207 1,210 3,215 1,218 13,219 1,222 3,227 1,229 12,230 1,234 3,239 1,242 10,243 2,247 4,252 2,255 7,256 2,259 3,260 1,264 2,267 4,268 2,270 781,271 14.286,272 14.286,273 14.286,274 14.286,275 14.286,276 13.107,277 7.638,278 9.445,279 14.357,280 10.386,281 10.386,282 10.386,283 10.386,284 10.386,285 8.67,286 2.933,287 4.516,288 10.486,289 4.28,290 2.669,291 1.542,292 0.756,293 0.474,294 0.474,295 3.747,299 1,300 1,301 408,302 4.062,306 84.026,313 1.524,314 15.875,316 1,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 44.5,326 210,327 4.2,328 3.596,329 6.134,330 3.832,331 2.835,332 3.729,333 2.341,334 9.024,335 2.826,336 3.55,337 2.982,338 4.659,339 3.24,340 2.235,341 2.721,343 5.185,344 2.222,345 3.398,346 2.089,347 4.515,348 2.944,349 1.961,350 2.699,352 4.732,353 1.928,354 2.773,355 1.849,356 3.749,357 2.73,358 1.732,359 1.829,361 3.426,362 1.727,363 2.753,364 1.665,365 3.634,366 2.544,367 1.552,368 1.757,370 3.158,371 1.535,372 2.503,373 1.308,374 3.446,375 2.212,376 1.227,377 1.5,379 2.644,380 1.207,381 2.5,382 1.256,383 3.247,384 1.999,385 1,386 1.479,388 2.136,389 0.997,390 2.118,391 1,392 3.073,393 1.956,394 1,395 1.078,397 1.93,398 0.953,399 1.701,400 0.844,401 2.735,402 1.614,403 0.614,404 0.646,406 1.202,407 0.612,408 1.232,409 0.578,410 2.229,411 1.11,412 0.109,413 0.116,415 0.189,416 0.109,417 0.882,418 0.179,419 2.192,420 0.718,421 -0.283,422 -0.298,424 -0.573,425 -0.28,426 0.619,427 -0.054,428 1.584,429 0.274,430 -0.707,431 -0.789,433 -1.363,434 -0.689,435 0.5,436 -0.611,437 1.555,438 0.126,439 -0.882,440 -1.047,442 -1.859,443 -0.856,444 0.44,445 -0.703,446 1.359,447 -0.017,448 -1,449 -1.273,451 -2,452 -0.973,453 0.248,454 -1,455 1.027,456 -0.027,457 -1,458 -1.44,460 -2.347,461 -0.983,462 10.067,463 0.479,464 0.264,465 0.013,466 20.5,467 0.976,468 9,469 0.429,470 11.5,471 0.548,472 20.079,473 0.956,474 24.733,475 0.515,476 12.072,477 0.575,478 3.528,479 0.168,480 6.708,481 0.319,482 0.116,484 0.149,487 0.77,488 1.335,489 1.052,490 1.265,491 0.703,492 1.202,493 0.448,494 1.265,495 1.065,496 1.263,497 0.372,498 1.233,499 0.771,500 0.962,501 0.935,502 0.963,503 0.792,504 0.969,505 0.699,506 1.022,507 0.961,508 1.026,509 0.707,510 1.025,511 0.748,512 1.01,513 0.988,514 1.014,515 0.731,516 1.024,517 0.773,518 1.021,519 1.016,520 1.026,521 0.711,522 1.042,523 0.598,524 1.013,525 0.953,526 1.015,527 0.538,528 1.018,529 0.572,530 1.089,531 0.932,532 1.082,533 0.529,534 1.045,535 2.5,536 0.083,537 1.333,538 0.688,539 0.351,540 0.292,541 0.162,542 0.149,543 0.164,544 0.131,545 4183,546 10008,547 1.919,548 56.3,549 19,550 3,552 2,553 1,554 2,558 1.633,559 1.826,560 3.32,561 -0.385,567 62.638,568 1.305,569 2.916,570 4.042,571 4.829,572 5.111,573 5.111,574 2.761,575 4.011,576 4.355,577 3.494,578 733.751,579 7.475,580 8491.13,582 1,585 268.078,586 1.149,587 4.338,588 0.119,589 0.008,590 0.056,591 0.03,592 0.016,593 0.013,594 0.008,595 0.007,596 0.009,597 0.008,598 0.273,599 0.67,600 0.88,601 2.644,602 97.81,603 -0.036,604 -0.044,605 -0.005,606 -0.003,607 -0.012,608 -0.003,609 0.198,610 -0.126,611 -0.079,612 -0.139,613 0.235,614 -0.138,615 -0.031,616 0.023,617 0.016,618 0.044,619 -0.038,620 0.035,621 -0.022,622 -0.027,623 -0.016,624 -0.009,625 -0.037,626 -0.013,627 -0.041,628 -0.007,629 -0.037,630 -0.009,631 -0.055,632 -0.021,633 -0.051,634 -0.019,635 -0.064,636 -0.032,637 -0.03,638 -0.047,639 -0.008,640 -0.018,641 -0.019,642 -0.026,643 -0.009,644 -0.023,645 0.042,646 -0.094,647 0.005,648 -0.097,649 0.023,650 -0.054,651 2.369,652 3.497,653 0.286,654 20.961,655 0.984,656 1.132,657 3.167,658 10.028,659 0.621,660 3.091,661 3.219,662 3.296,663 3.401,664 3.497,665 3.401,666 3.434,667 3.401,668 3.296,669 3.091,670 6.199,671 0.569,672 289.46,673 3.091,674 4.511,675 5.252,676 6.028,677 6.797,678 7.586,679 8.37,680 9.168,681 9.961,682 10.764,683 2.1,693 1,699 4,700 1,704 1,706 6,724 48,726 8,728 21,730 48,731 18,733 5,736 2,739 1,740 1,745 1,751 9,753 8,754 10,756 2,761 1,763 1,765 2,772 27,773 3,774 1,775 3,779 1,784 1,785 2,795 1,802 1,818 1,822 1,823 1,830 1,832 1,836 1,840 21,845 1,846 9,862 4.2,864 1,865 1,869 11.5,870 8.483,871 5.111,872 3.426,874 1.423,875 1.247,876 0.886,877 9.395,878 7.198,879 3.296,880 3.651,881 3.984,882 4.377,883 4.774,884 4.685,885 4.947,886 4.954,887 4.961,888 4.914,889 0.857,890 23,891 7.779,893 2.999,894 7.714,895 15.278,897 11.755,899 2.214,900 46.5,901 0.001,903 1,904 306.049,905 85.441,906 16.786,908 67.828,911 85.441,912 373.877,913 16.786,914 8.825,915 22.811,916 28.429,917 109.066,918 24.466,920 282.506,922 306.049,923 102.226,924 67.828,927 306.049,928 67.828,931 49.731,932 26.234,933 26.262,935 306.049,936 84.614,937 85.441,940 306.049,941 30.092,942 55.349,944 84.614,945 306.049,946 84.614,947 85.441,949 0.527,950 0.271,951 0.139,952 0.075,953 6,954 3,955 0.229,956 11,958 1,959 3.452,960 130.501,962 6,963 92.239,968 17.584,969 11.22,970 8.416,972 84.614,973 7.795,974 4.199,978 1.201,980 42.683,981 476.103,982 26,987 10.497,989 2.269,991 0.653,994 47.243,995 54.315,996 0.234,997 0.522,998 0.724,999 0.865,1000 0.915,1001 0.915,1002 4.425,1003 1,1004 5.118,1005 2.136,1006 3.892,1007 4.331,1008 2.258,1009 5.707,1010 3.874,1011 5.514,1012 0.614,1013 6.529,1014 1.93,1015 2.944,1016 3.651,1017 2.243,1018 6.225,1019 2.932,1020 6.724,1021 0.109,1022 8.052,1023 1.202,1024 5.242,1025 6.233,1026 3.628,1027 9.308,1028 5.213,1029 7.973,1030 -0.283,1031 9.651,1032 0.189,1033 5.198,1034 6.442,1035 4.112,1036 10.865,1037 5.182,1038 9.262,1039 -0.707,1040 11.308,1041 -0.573,1042 6.874,1043 8.463,1044 5.201,1045 13.388,1046 6.839,1047 10.579,1048 -0.882,1049 13.007,1050 -1.363,1051 7.331,1052 9.125,1053 5.889,1054 15.344,1055 7.308,1056 11.92,1057 -1,1058 14.737,1059 -1.859,1060 8.687,1061 10.865,1062 6.849,1063 17.67,1064 8.647,1065 2.835,1066 -1,1067 16.491,1068 -2,1069 9.423,1070 11.782,1071 7.625,1072 19.775,1073 9.393,1074 2.235,1075 9.024,1076 18.261,1077 -2.347,1078 10.615,1079 13.362,1080 8.526,1081 22.026,1082 10.572,1083 1.961,1084 5.185,1085 20.042,1086 3.729,1087 11.501,1088 14.431,1089 9.342,1090 24.188,1091 11.464,1092 1.732,1093 4.732,1094 21.833,1095 2.721,1096 12.613,1097 15.914,1098 10.216,1099 26.41,1100 12.566,1101 1.552,1102 3.426,1103 23.63,1104 2.699,1105 13.577,1106 17.076,1107 11.051,1108 28.594,1109 13.532,1110 1.227,1111 3.158,1112 25.431,1113 1.829,1114 14.651,1115 18.499,1116 11.912,1117 30.803,1118 14.599,1119 1,1120 2.644,1121 27.235,1122 1.757,1123 15.653,1124 19.719,1125 12.755,1126 32.997,1127 15.602,1128 4466,1129 7030,1130 13.693,1131 29.813,1132 28.71,1133 29.287,1134 29.243,1135 28.552,1136 28.531,1137 35.108,1138 4.682,1139 67.252,1140 28.231,1141 5.104,1142 5.596,1143 6.071,1144 4.868,1145 4.835,1146 6.729,1147 3.925,1148 15.071,1149 4.785,1150 10.553,1151 1.367,1152 1.395,1153 1.393,1154 1.36,1155 1.359,1156 1.672,1157 0.223,1158 3.202,1159 1.344,1160 3.949,1161 3.988,1162 3.877,1163 3.869,1164 7.474,1165 3.865,1166 3.737,1167 3.793,1168 3.613,1169 3.611,1170 6.351,1171 3.6,1172 3.709,1173 3.768,1174 3.55,1175 3.574,1176 4.908,1177 3.558,1178 3.524,1179 3.578,1180 3.399,1181 3.38,1182 4.343,1183 3.373,1184 3.363,1185 3.424,1186 3.181,1187 3.175,1188 4.16,1189 3.164,1190 3.133,1191 3.194,1192 2.958,1193 2.941,1194 3.963,1195 2.938,1196 2.873,1197 2.964,1198 2.64,1199 2.649,1200 3.809,1201 2.625,1202 2.795,1203 2.87,1204 2.61,1205 2.613,1206 3.757,1207 2.609,1208 0.2,1209 0.171,1210 0.292,1211 0.182,1212 0.135,1213 4.2,1214 0.178,1215 3.596,1216 0.111,1217 6.134,1218 0.43,1219 3.832,1220 0.135,1221 2.835,1222 3.729,1223 2.341,1224 9.024,1225 2.826,1226 1.921,1227 1.886,1228 2.076,1229 2.027,1230 1.388,1231 2.043,1232 1.739,1233 1.68,1234 1.988,1235 1.9,1236 1.306,1237 1.933,1238 1.717,1239 1.662,1240 1.924,1241 1.886,1242 1.128,1243 1.902,1244 1.517,1245 1.46,1246 1.779,1247 1.7,1248 0.936,1249 1.727,1250 1.352,1251 1.288,1252 1.634,1253 1.581,1254 0.835,1255 1.597,1256 1.114,1257 1.053,1258 1.437,1259 1.355,1260 0.641,1261 1.379,1262 0.875,1263 0.785,1264 1.234,1265 1.169,1266 0.391,1267 1.193,1268 0.79,1269 0.728,1270 1.093,1271 1.022,1272 0.232,1273 1.054,1274 3.761,1276 4.934,1278 6.282,1280 7.719,1282 9.211,1284 2.223,1289 8.643,1290 9.02,1300 27.299,1301 62.638,1302 139.965,1303 194.039,1304 231.814,1305 245.323,1306 245.323,1307 52.978,1308 5.775,1309 50.19,1310 50.19,1311 6,1312 11.361,1313 3.17,1314 2.585,1315 53.573,1316 71,1317 84,1318 0.339,1319 176.189,1320 312.08,1321 421.661,1322 1869,1324 15.339,1325 0.73,1326 0.622,1327 15.339,1328 13.053,1329 10.236,1330 0.487,1331 0.383,1332 8.003,1333 10.013,1334 7.793,1335 6.602,1336 10.236,1337 8.049,1338 8.039,1339 0.335,1340 0.226,1341 8.039,1342 5.421,1343 5.601,1344 0.215,1345 0.137,1346 5.601,1347 3.567,1348 4.191,1349 0.145,1350 0.081,1351 4.191,1352 2.356,1353 3.126,1354 0.098,1355 0.048,1356 3.126,1357 1.54,1358 0.539,1359 63.073,1360 0.27,1361 21.507,1362 0.906,1363 90,1364 239.53,1365 95.816,1366 233.15,1367 303.14,1368 216,1369 95,1370 204.779,1371 99.157,1372 208.624,1373 292.36,1374 196,1375 7.125}